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*** f71nl2ca ***elNémo ID: 22031706042172088Job options:ID = 22031706042172088 JOBID = f71nl2ca 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 f71nl2ca CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1 ATOM 1 N ALA A 1 -0.514 32.620 125.395 1.00 0.41 N ATOM 2 CA ALA A 1 -1.579 32.763 126.453 1.00 0.41 C ATOM 3 C ALA A 1 -2.163 31.409 126.903 1.00 0.41 C ATOM 4 O ALA A 1 -2.883 30.789 126.130 1.00 0.41 O ATOM 5 CB ALA A 1 -2.743 33.642 125.882 1.00 0.41 C ATOM 6 N ASN A 2 -1.918 30.907 128.147 1.00 0.31 N ATOM 7 CA ASN A 2 -2.498 29.617 128.599 1.00 0.31 C ATOM 8 C ASN A 2 -3.907 29.786 129.169 1.00 0.31 C ATOM 9 O ASN A 2 -4.404 28.899 129.932 1.00 0.31 O ATOM 10 CB ASN A 2 -1.646 29.002 129.744 1.00 0.31 C ATOM 11 CG ASN A 2 -0.324 28.475 129.212 1.00 0.31 C ATOM 12 OD1 ASN A 2 -0.328 27.668 128.277 1.00 0.31 O ATOM 13 ND2 ASN A 2 0.804 28.892 129.823 1.00 0.31 N ATOM 14 N ALA A 3 -4.579 30.888 128.895 1.00 0.35 N ATOM 15 CA ALA A 3 -5.979 31.228 129.084 1.00 0.35 C ATOM 16 C ALA A 3 -6.273 32.121 130.275 1.00 0.35 C ATOM 17 O ALA A 3 -6.941 33.138 130.120 1.00 0.35 O ATOM 18 CB ALA A 3 -6.972 30.039 129.125 1.00 0.35 C ATOM 19 N PHE A 4 -5.817 31.735 131.484 1.00 0.37 N ATOM 20 CA PHE A 4 -6.225 32.314 132.759 1.00 0.37 C ATOM 21 C PHE A 4 -5.755 33.755 133.021 1.00 0.37 C ATOM 22 O PHE A 4 -6.106 34.701 132.326 1.00 0.37 O ATOM 23 CB PHE A 4 -5.822 31.353 133.930 1.00 0.37 C ATOM 24 CG PHE A 4 -6.698 30.126 134.009 1.00 0.37 C ATOM 25 CD1 PHE A 4 -6.123 28.862 134.229 1.00 0.37 C ATOM 26 CD2 PHE A 4 -8.102 30.230 134.002 1.00 0.37 C ATOM 27 CE1 PHE A 4 -6.927 27.729 134.414 1.00 0.37 C ATOM 28 CE2 PHE A 4 -8.909 29.098 134.165 1.00 0.37 C ATOM 29 CZ PHE A 4 -8.321 27.846 134.372 1.00 0.37 C ATOM 30 N LEU A 5 -4.980 34.008 134.091 1.00 0.44 N ATOM 31 CA LEU A 5 -4.719 35.370 134.519 1.00 0.44 C ATOM 32 C LEU A 5 -3.353 35.899 134.097 1.00 0.44 C ATOM 33 O LEU A 5 -2.945 36.973 134.531 1.00 0.44 O ATOM 34 CB LEU A 5 -4.832 35.507 136.048 1.00 0.44 C ATOM 35 CG LEU A 5 -6.231 35.249 136.655 1.00 0.44 C ATOM 36 CD1 LEU A 5 -6.208 35.774 138.102 1.00 0.44 C ATOM 37 CD2 LEU A 5 -7.398 35.906 135.880 1.00 0.44 C ATOM 38 N GLU A 6 -2.592 35.198 133.225 1.00 0.47 N ATOM 39 CA GLU A 6 -1.281 35.661 132.773 1.00 0.47 C ATOM 40 C GLU A 6 -1.306 37.022 132.077 1.00 0.47 C ATOM 41 O GLU A 6 -0.391 37.824 132.265 1.00 0.47 O ATOM 42 CB GLU A 6 -0.610 34.635 131.831 1.00 0.47 C ATOM 43 CG GLU A 6 -0.141 33.341 132.542 1.00 0.47 C ATOM 44 CD GLU A 6 -0.080 32.121 131.614 1.00 0.47 C ATOM 45 OE1 GLU A 6 -0.639 32.155 130.485 1.00 0.47 O ATOM 46 OE2 GLU A 6 0.442 31.084 132.097 1.00 0.47 O ATOM 47 N GLU A 7 -2.388 37.333 131.325 1.00 0.45 N ATOM 48 CA GLU A 7 -2.622 38.587 130.625 1.00 0.45 C ATOM 49 C GLU A 7 -2.879 39.782 131.552 1.00 0.45 C ATOM 50 O GLU A 7 -2.997 40.920 131.109 1.00 0.45 O ATOM 51 CB GLU A 7 -3.796 38.433 129.625 1.00 0.45 C ATOM 52 CG GLU A 7 -3.507 37.415 128.490 1.00 0.45 C ATOM 53 CD GLU A 7 -4.675 37.249 127.517 1.00 0.45 C ATOM 54 OE1 GLU A 7 -5.724 37.917 127.699 1.00 0.45 O ATOM 55 OE2 GLU A 7 -4.530 36.388 126.608 1.00 0.45 O ATOM 56 N LEU A 8 -2.957 39.588 132.891 1.00 0.46 N ATOM 57 CA LEU A 8 -2.952 40.706 133.823 1.00 0.46 C ATOM 58 C LEU A 8 -1.558 41.285 134.048 1.00 0.46 C ATOM 59 O LEU A 8 -1.402 42.406 134.530 1.00 0.46 O ATOM 60 CB LEU A 8 -3.462 40.260 135.217 1.00 0.46 C ATOM 61 CG LEU A 8 -4.897 39.698 135.255 1.00 0.46 C ATOM 62 CD1 LEU A 8 -5.197 39.206 136.678 1.00 0.46 C ATOM 63 CD2 LEU A 8 -5.961 40.721 134.830 1.00 0.46 C ATOM 64 N ARG A 9 -0.491 40.525 133.728 1.00 0.47 N ATOM 65 CA ARG A 9 0.875 40.947 133.951 1.00 0.47 C ATOM 66 C ARG A 9 1.316 41.875 132.831 1.00 0.47 C ATOM 67 O ARG A 9 0.838 41.703 131.713 1.00 0.47 O ATOM 68 CB ARG A 9 1.827 39.720 133.969 1.00 0.47 C ATOM 69 CG ARG A 9 1.390 38.607 134.945 1.00 0.47 C ATOM 70 CD ARG A 9 2.351 37.416 134.983 1.00 0.47 C ATOM 71 NE ARG A 9 3.611 37.927 135.628 1.00 0.47 N ATOM 72 CZ ARG A 9 4.766 37.250 135.670 1.00 0.47 C ATOM 73 NH1 ARG A 9 4.864 36.045 135.124 1.00 0.47 N ATOM 74 NH2 ARG A 9 5.827 37.776 136.282 1.00 0.47 N ATOM 75 N PRO A 10 2.219 42.838 132.997 1.00 0.54 N ATOM 76 CA PRO A 10 2.763 43.547 131.853 1.00 0.54 C ATOM 77 C PRO A 10 3.509 42.607 130.946 1.00 0.54 C ATOM 78 O PRO A 10 4.132 41.636 131.400 1.00 0.54 O ATOM 79 CB PRO A 10 3.676 44.620 132.461 1.00 0.54 C ATOM 80 CG PRO A 10 4.121 44.040 133.812 1.00 0.54 C ATOM 81 CD PRO A 10 3.041 43.016 134.191 1.00 0.54 C ATOM 82 N GLY A 11 3.389 42.866 129.635 1.00 0.64 N ATOM 83 CA GLY A 11 4.080 42.120 128.632 1.00 0.64 C ATOM 84 C GLY A 11 5.569 41.974 128.840 1.00 0.64 C ATOM 85 O GLY A 11 6.276 42.920 129.153 1.00 0.64 O ATOM 86 N SER A 12 6.087 40.752 128.639 1.00 0.64 N ATOM 87 CA SER A 12 7.505 40.497 128.712 1.00 0.64 C ATOM 88 C SER A 12 7.889 39.632 127.535 1.00 0.64 C ATOM 89 O SER A 12 7.387 38.522 127.394 1.00 0.64 O ATOM 90 CB SER A 12 7.856 39.738 130.013 1.00 0.64 C ATOM 91 OG SER A 12 9.249 39.410 130.054 1.00 0.64 O ATOM 92 N LEU A 13 8.793 40.118 126.660 1.00 0.66 N ATOM 93 CA LEU A 13 9.248 39.434 125.460 1.00 0.66 C ATOM 94 C LEU A 13 9.971 38.165 125.636 1.00 0.66 C ATOM 95 O LEU A 13 9.799 37.231 124.855 1.00 0.66 O ATOM 96 CB LEU A 13 10.193 40.357 124.666 1.00 0.66 C ATOM 97 CG LEU A 13 10.627 39.912 123.253 1.00 0.66 C ATOM 98 CD1 LEU A 13 9.514 40.064 122.235 1.00 0.66 C ATOM 99 CD2 LEU A 13 11.763 40.834 122.802 1.00 0.66 C ATOM 100 N GLU A 14 10.809 38.094 126.666 1.00 0.60 N ATOM 101 CA GLU A 14 11.467 36.871 126.982 1.00 0.60 C ATOM 102 C GLU A 14 10.451 35.794 127.312 1.00 0.60 C ATOM 103 O GLU A 14 10.338 34.823 126.573 1.00 0.60 O ATOM 104 CB GLU A 14 12.407 37.176 128.138 1.00 0.60 C ATOM 105 CG GLU A 14 13.270 35.976 128.548 1.00 0.60 C ATOM 106 CD GLU A 14 14.287 36.431 129.586 1.00 0.60 C ATOM 107 OE1 GLU A 14 14.197 37.616 130.011 1.00 0.60 O ATOM 108 OE2 GLU A 14 15.203 35.636 129.900 1.00 0.60 O ATOM 109 N ARG A 15 9.571 36.048 128.298 1.00 0.55 N ATOM 110 CA ARG A 15 8.607 35.075 128.761 1.00 0.55 C ATOM 111 C ARG A 15 7.572 34.699 127.704 1.00 0.55 C ATOM 112 O ARG A 15 7.378 33.534 127.382 1.00 0.55 O ATOM 113 CB ARG A 15 7.891 35.683 129.995 1.00 0.55 C ATOM 114 CG ARG A 15 6.973 34.708 130.768 1.00 0.55 C ATOM 115 CD ARG A 15 5.671 35.356 131.256 1.00 0.55 C ATOM 116 NE ARG A 15 5.994 36.581 132.087 1.00 0.55 N ATOM 117 CZ ARG A 15 5.261 37.706 132.026 1.00 0.55 C ATOM 118 NH1 ARG A 15 4.157 37.787 131.295 1.00 0.55 N ATOM 119 NH2 ARG A 15 5.666 38.807 132.671 1.00 0.55 N ATOM 120 N GLU A 16 6.917 35.701 127.085 1.00 0.67 N ATOM 121 CA GLU A 16 5.809 35.450 126.187 1.00 0.67 C ATOM 122 C GLU A 16 6.250 34.998 124.784 1.00 0.67 C ATOM 123 O GLU A 16 5.608 34.149 124.181 1.00 0.67 O ATOM 124 CB GLU A 16 4.874 36.688 126.110 1.00 0.67 C ATOM 125 CG GLU A 16 4.140 37.084 127.434 1.00 0.67 C ATOM 126 CD GLU A 16 3.288 36.032 128.153 1.00 0.67 C ATOM 127 OE1 GLU A 16 2.744 35.113 127.513 1.00 0.67 O ATOM 128 OE2 GLU A 16 3.169 36.218 129.401 1.00 0.67 O ATOM 129 N CYS A 17 7.350 35.550 124.202 1.00 0.69 N ATOM 130 CA CYS A 17 7.698 35.296 122.800 1.00 0.69 C ATOM 131 C CYS A 17 9.020 34.588 122.573 1.00 0.69 C ATOM 132 O CYS A 17 9.272 34.118 121.473 1.00 0.69 O ATOM 133 CB CYS A 17 7.864 36.600 121.984 1.00 0.69 C ATOM 134 SG CYS A 17 6.326 37.504 121.678 1.00 0.69 S ATOM 135 N LYS A 18 9.940 34.512 123.554 1.00 0.58 N ATOM 136 CA LYS A 18 11.166 33.764 123.335 1.00 0.58 C ATOM 137 C LYS A 18 11.181 32.454 124.101 1.00 0.58 C ATOM 138 O LYS A 18 11.781 31.490 123.638 1.00 0.58 O ATOM 139 CB LYS A 18 12.402 34.595 123.736 1.00 0.58 C ATOM 140 CG LYS A 18 12.600 35.827 122.840 1.00 0.58 C ATOM 141 CD LYS A 18 13.840 36.628 123.265 1.00 0.58 C ATOM 142 CE LYS A 18 14.103 37.850 122.381 1.00 0.58 C ATOM 143 NZ LYS A 18 15.302 38.581 122.858 1.00 0.58 N ATOM 144 N GLU A 19 10.507 32.369 125.266 1.00 0.58 N ATOM 145 CA GLU A 19 10.366 31.139 126.024 1.00 0.58 C ATOM 146 C GLU A 19 9.136 30.359 125.588 1.00 0.58 C ATOM 147 O GLU A 19 9.047 29.145 125.771 1.00 0.58 O ATOM 148 CB GLU A 19 10.221 31.464 127.531 1.00 0.58 C ATOM 149 CG GLU A 19 11.471 32.101 128.184 1.00 0.58 C ATOM 150 CD GLU A 19 11.232 32.447 129.654 1.00 0.58 C ATOM 151 OE1 GLU A 19 10.088 32.285 130.155 1.00 0.58 O ATOM 152 OE2 GLU A 19 12.211 32.891 130.298 1.00 0.58 O ATOM 153 N GLU A 20 8.185 31.046 124.932 1.00 0.60 N ATOM 154 CA GLU A 20 6.953 30.487 124.449 1.00 0.60 C ATOM 155 C GLU A 20 6.729 31.082 123.090 1.00 0.60 C ATOM 156 O GLU A 20 7.284 32.114 122.738 1.00 0.60 O ATOM 157 CB GLU A 20 5.739 30.843 125.343 1.00 0.60 C ATOM 158 CG GLU A 20 5.843 30.260 126.770 1.00 0.60 C ATOM 159 CD GLU A 20 4.563 30.440 127.584 1.00 0.60 C ATOM 160 OE1 GLU A 20 3.551 30.950 127.040 1.00 0.60 O ATOM 161 OE2 GLU A 20 4.575 29.963 128.750 1.00 0.60 O ATOM 162 N GLN A 21 5.931 30.399 122.255 1.00 0.64 N ATOM 163 CA GLN A 21 5.457 30.955 121.004 1.00 0.64 C ATOM 164 C GLN A 21 4.398 32.038 121.232 1.00 0.64 C ATOM 165 O GLN A 21 3.569 31.890 122.118 1.00 0.64 O ATOM 166 CB GLN A 21 4.852 29.846 120.112 1.00 0.64 C ATOM 167 CG GLN A 21 5.819 28.664 119.856 1.00 0.64 C ATOM 168 CD GLN A 21 6.986 29.084 118.961 1.00 0.64 C ATOM 169 OE1 GLN A 21 6.756 29.644 117.890 1.00 0.64 O ATOM 170 NE2 GLN A 21 8.243 28.792 119.358 1.00 0.64 N ATOM 171 N CYS A 22 4.343 33.121 120.419 1.00 0.73 N ATOM 172 CA CYS A 22 3.468 34.241 120.708 1.00 0.73 C ATOM 173 C CYS A 22 2.797 34.720 119.446 1.00 0.73 C ATOM 174 O CYS A 22 3.261 34.482 118.336 1.00 0.73 O ATOM 175 CB CYS A 22 4.207 35.437 121.373 1.00 0.73 C ATOM 176 SG CYS A 22 5.342 36.393 120.319 1.00 0.73 S ATOM 177 N SER A 23 1.676 35.437 119.617 1.00 0.75 N ATOM 178 CA SER A 23 0.983 36.170 118.576 1.00 0.75 C ATOM 179 C SER A 23 1.638 37.525 118.326 1.00 0.75 C ATOM 180 O SER A 23 2.459 38.007 119.097 1.00 0.75 O ATOM 181 CB SER A 23 -0.563 36.278 118.828 1.00 0.75 C ATOM 182 OG SER A 23 -0.984 37.350 119.676 1.00 0.75 O ATOM 183 N PHE A 24 1.293 38.193 117.198 1.00 0.76 N ATOM 184 CA PHE A 24 1.702 39.564 116.930 1.00 0.76 C ATOM 185 C PHE A 24 1.186 40.514 117.999 1.00 0.76 C ATOM 186 O PHE A 24 1.925 41.389 118.432 1.00 0.76 O ATOM 187 CB PHE A 24 1.246 40.009 115.495 1.00 0.76 C ATOM 188 CG PHE A 24 1.393 41.501 115.225 1.00 0.76 C ATOM 189 CD1 PHE A 24 0.439 42.412 115.721 1.00 0.76 C ATOM 190 CD2 PHE A 24 2.510 42.015 114.550 1.00 0.76 C ATOM 191 CE1 PHE A 24 0.638 43.792 115.621 1.00 0.76 C ATOM 192 CE2 PHE A 24 2.665 43.395 114.360 1.00 0.76 C ATOM 193 CZ PHE A 24 1.744 44.287 114.925 1.00 0.76 C ATOM 194 N GLU A 25 -0.076 40.364 118.457 1.00 0.72 N ATOM 195 CA GLU A 25 -0.648 41.194 119.503 1.00 0.72 C ATOM 196 C GLU A 25 0.100 41.027 120.811 1.00 0.72 C ATOM 197 O GLU A 25 0.497 42.019 121.412 1.00 0.72 O ATOM 198 CB GLU A 25 -2.167 40.939 119.695 1.00 0.72 C ATOM 199 CG GLU A 25 -2.822 41.806 120.801 1.00 0.72 C ATOM 200 CD GLU A 25 -2.760 43.293 120.502 1.00 0.72 C ATOM 201 OE1 GLU A 25 -3.145 44.082 121.396 1.00 0.72 O ATOM 202 OE2 GLU A 25 -2.325 43.719 119.401 1.00 0.72 O ATOM 203 N GLU A 26 0.447 39.774 121.214 1.00 0.70 N ATOM 204 CA GLU A 26 1.293 39.525 122.377 1.00 0.70 C ATOM 205 C GLU A 26 2.629 40.224 122.180 1.00 0.70 C ATOM 206 O GLU A 26 3.087 40.929 123.068 1.00 0.70 O ATOM 207 CB GLU A 26 1.540 38.003 122.646 1.00 0.70 C ATOM 208 CG GLU A 26 0.265 37.223 123.109 1.00 0.70 C ATOM 209 CD GLU A 26 0.356 35.686 123.154 1.00 0.70 C ATOM 210 OE1 GLU A 26 -0.020 34.999 124.141 1.00 0.70 O ATOM 211 OE2 GLU A 26 0.716 35.160 122.070 1.00 0.70 O ATOM 212 N ALA A 27 3.231 40.147 120.966 1.00 0.75 N ATOM 213 CA ALA A 27 4.407 40.919 120.591 1.00 0.75 C ATOM 214 C ALA A 27 4.268 42.427 120.655 1.00 0.75 C ATOM 215 O ALA A 27 5.145 43.137 121.122 1.00 0.75 O ATOM 216 CB ALA A 27 5.064 40.494 119.264 1.00 0.75 C ATOM 217 N ARG A 28 3.151 42.986 120.238 1.00 0.66 N ATOM 218 CA ARG A 28 2.848 44.372 120.419 1.00 0.66 C ATOM 219 C ARG A 28 2.683 44.827 121.869 1.00 0.66 C ATOM 220 O ARG A 28 3.141 45.909 122.220 1.00 0.66 O ATOM 221 CB ARG A 28 1.573 44.630 119.620 1.00 0.66 C ATOM 222 CG ARG A 28 1.217 46.113 119.550 1.00 0.66 C ATOM 223 CD ARG A 28 -0.127 46.326 118.858 1.00 0.66 C ATOM 224 NE ARG A 28 -1.216 46.080 119.847 1.00 0.66 N ATOM 225 CZ ARG A 28 -1.655 46.954 120.759 1.00 0.66 C ATOM 226 NH1 ARG A 28 -2.605 46.590 121.605 1.00 0.66 N ATOM 227 NH2 ARG A 28 -1.123 48.163 120.857 1.00 0.66 N ATOM 228 N GLU A 29 2.030 44.027 122.737 1.00 0.66 N ATOM 229 CA GLU A 29 1.869 44.276 124.166 1.00 0.66 C ATOM 230 C GLU A 29 3.154 44.304 124.983 1.00 0.66 C ATOM 231 O GLU A 29 3.325 45.090 125.912 1.00 0.66 O ATOM 232 CB GLU A 29 0.958 43.201 124.786 1.00 0.66 C ATOM 233 CG GLU A 29 -0.511 43.274 124.318 1.00 0.66 C ATOM 234 CD GLU A 29 -1.324 42.155 124.958 1.00 0.66 C ATOM 235 OE1 GLU A 29 -0.712 41.274 125.617 1.00 0.66 O ATOM 236 OE2 GLU A 29 -2.568 42.204 124.809 1.00 0.66 O ATOM 237 N ILE A 30 4.101 43.414 124.678 1.00 0.59 N ATOM 238 CA ILE A 30 5.397 43.334 125.327 1.00 0.59 C ATOM 239 C ILE A 30 6.423 44.358 124.817 1.00 0.59 C ATOM 240 O ILE A 30 7.445 44.593 125.463 1.00 0.59 O ATOM 241 CB ILE A 30 5.975 41.944 125.128 1.00 0.59 C ATOM 242 CG1 ILE A 30 6.102 41.703 123.630 1.00 0.59 C ATOM 243 CG2 ILE A 30 5.051 40.827 125.659 1.00 0.59 C ATOM 244 CD1 ILE A 30 6.422 40.268 123.325 1.00 0.59 C ATOM 245 N PHE A 31 6.185 44.993 123.644 1.00 0.60 N ATOM 246 CA PHE A 31 7.016 46.043 123.087 1.00 0.60 C ATOM 247 C PHE A 31 6.395 47.405 123.268 1.00 0.60 C ATOM 248 O PHE A 31 5.228 47.580 123.590 1.00 0.60 O ATOM 249 CB PHE A 31 7.296 45.866 121.575 1.00 0.60 C ATOM 250 CG PHE A 31 8.334 44.816 121.360 1.00 0.60 C ATOM 251 CD1 PHE A 31 9.625 44.891 121.915 1.00 0.60 C ATOM 252 CD2 PHE A 31 8.035 43.762 120.513 1.00 0.60 C ATOM 253 CE1 PHE A 31 10.630 44.013 121.487 1.00 0.60 C ATOM 254 CE2 PHE A 31 8.981 42.809 120.190 1.00 0.60 C ATOM 255 CZ PHE A 31 10.308 42.981 120.600 1.00 0.60 C ATOM 256 N LYS A 32 7.214 48.452 123.074 1.00 0.53 N ATOM 257 CA LYS A 32 6.783 49.808 123.333 1.00 0.53 C ATOM 258 C LYS A 32 6.465 50.609 122.078 1.00 0.53 C ATOM 259 O LYS A 32 6.254 51.808 122.202 1.00 0.53 O ATOM 260 CB LYS A 32 7.846 50.571 124.161 1.00 0.53 C ATOM 261 CG LYS A 32 7.996 50.004 125.580 1.00 0.53 C ATOM 262 CD LYS A 32 8.945 50.857 126.438 1.00 0.53 C ATOM 263 CE LYS A 32 9.043 50.363 127.889 1.00 0.53 C ATOM 264 NZ LYS A 32 9.979 51.202 128.678 1.00 0.53 N ATOM 265 N ASP A 33 6.426 50.018 120.857 1.00 0.69 N ATOM 266 CA ASP A 33 6.115 50.808 119.678 1.00 0.69 C ATOM 267 C ASP A 33 5.728 49.874 118.522 1.00 0.69 C ATOM 268 O ASP A 33 6.146 48.720 118.496 1.00 0.69 O ATOM 269 CB ASP A 33 7.287 51.741 119.247 1.00 0.69 C ATOM 270 CG ASP A 33 6.713 52.776 118.297 1.00 0.69 C ATOM 271 OD1 ASP A 33 6.671 52.474 117.079 1.00 0.69 O ATOM 272 OD2 ASP A 33 6.185 53.794 118.795 1.00 0.69 O ATOM 273 N ALA A 34 4.971 50.374 117.514 1.00 0.76 N ATOM 274 CA ALA A 34 4.690 49.727 116.243 1.00 0.76 C ATOM 275 C ALA A 34 5.945 49.450 115.411 1.00 0.76 C ATOM 276 O ALA A 34 6.031 48.406 114.765 1.00 0.76 O ATOM 277 CB ALA A 34 3.737 50.595 115.383 1.00 0.76 C ATOM 278 N GLU A 35 6.952 50.357 115.409 1.00 0.75 N ATOM 279 CA GLU A 35 8.220 50.186 114.710 1.00 0.75 C ATOM 280 C GLU A 35 9.004 48.975 115.201 1.00 0.75 C ATOM 281 O GLU A 35 9.425 48.106 114.430 1.00 0.75 O ATOM 282 CB GLU A 35 9.107 51.437 114.935 1.00 0.75 C ATOM 283 CG GLU A 35 10.483 51.342 114.229 1.00 0.75 C ATOM 284 CD GLU A 35 11.399 52.535 114.485 1.00 0.75 C ATOM 285 OE1 GLU A 35 11.022 53.454 115.251 1.00 0.75 O ATOM 286 OE2 GLU A 35 12.525 52.491 113.925 1.00 0.75 O ATOM 287 N ARG A 36 9.132 48.858 116.540 1.00 0.64 N ATOM 288 CA ARG A 36 9.743 47.735 117.231 1.00 0.64 C ATOM 289 C ARG A 36 8.986 46.443 116.994 1.00 0.64 C ATOM 290 O ARG A 36 9.586 45.400 116.743 1.00 0.64 O ATOM 291 CB ARG A 36 9.843 47.990 118.758 1.00 0.64 C ATOM 292 CG ARG A 36 10.864 49.086 119.112 1.00 0.64 C ATOM 293 CD ARG A 36 10.933 49.342 120.616 1.00 0.64 C ATOM 294 NE ARG A 36 11.991 50.383 120.833 1.00 0.64 N ATOM 295 CZ ARG A 36 12.246 50.975 122.007 1.00 0.64 C ATOM 296 NH1 ARG A 36 13.186 51.914 122.093 1.00 0.64 N ATOM 297 NH2 ARG A 36 11.565 50.655 123.100 1.00 0.64 N ATOM 298 N THR A 37 7.639 46.496 117.031 1.00 0.77 N ATOM 299 CA THR A 37 6.783 45.352 116.737 1.00 0.77 C ATOM 300 C THR A 37 6.913 44.855 115.315 1.00 0.77 C ATOM 301 O THR A 37 7.044 43.654 115.095 1.00 0.77 O ATOM 302 CB THR A 37 5.313 45.616 116.990 1.00 0.77 C ATOM 303 OG1 THR A 37 5.134 46.069 118.313 1.00 0.77 O ATOM 304 CG2 THR A 37 4.517 44.314 116.918 1.00 0.77 C ATOM 305 N LYS A 38 6.927 45.756 114.301 1.00 0.74 N ATOM 306 CA LYS A 38 7.133 45.380 112.910 1.00 0.74 C ATOM 307 C LYS A 38 8.482 44.724 112.705 1.00 0.74 C ATOM 308 O LYS A 38 8.566 43.648 112.115 1.00 0.74 O ATOM 309 CB LYS A 38 7.026 46.613 111.964 1.00 0.74 C ATOM 310 CG LYS A 38 7.167 46.262 110.467 1.00 0.74 C ATOM 311 CD LYS A 38 7.030 47.489 109.546 1.00 0.74 C ATOM 312 CE LYS A 38 7.197 47.155 108.055 1.00 0.74 C ATOM 313 NZ LYS A 38 7.046 48.376 107.225 1.00 0.74 N ATOM 314 N LEU A 39 9.564 45.315 113.245 1.00 0.76 N ATOM 315 CA LEU A 39 10.899 44.762 113.153 1.00 0.76 C ATOM 316 C LEU A 39 11.056 43.397 113.814 1.00 0.76 C ATOM 317 O LEU A 39 11.597 42.465 113.219 1.00 0.76 O ATOM 318 CB LEU A 39 11.886 45.745 113.822 1.00 0.76 C ATOM 319 CG LEU A 39 13.361 45.288 113.818 1.00 0.76 C ATOM 320 CD1 LEU A 39 13.909 45.098 112.392 1.00 0.76 C ATOM 321 CD2 LEU A 39 14.223 46.284 114.605 1.00 0.76 C ATOM 322 N PHE A 40 10.549 43.235 115.056 1.00 0.70 N ATOM 323 CA PHE A 40 10.554 41.962 115.747 1.00 0.70 C ATOM 324 C PHE A 40 9.702 40.922 115.055 1.00 0.70 C ATOM 325 O PHE A 40 10.117 39.780 114.916 1.00 0.70 O ATOM 326 CB PHE A 40 10.068 42.118 117.207 1.00 0.70 C ATOM 327 CG PHE A 40 10.046 40.777 117.924 1.00 0.70 C ATOM 328 CD1 PHE A 40 11.225 40.197 118.411 1.00 0.70 C ATOM 329 CD2 PHE A 40 8.838 40.062 118.048 1.00 0.70 C ATOM 330 CE1 PHE A 40 11.197 38.944 119.039 1.00 0.70 C ATOM 331 CE2 PHE A 40 8.798 38.828 118.703 1.00 0.70 C ATOM 332 CZ PHE A 40 9.981 38.265 119.193 1.00 0.70 C ATOM 333 N TRP A 41 8.481 41.249 114.604 1.00 0.66 N ATOM 334 CA TRP A 41 7.628 40.245 114.013 1.00 0.66 C ATOM 335 C TRP A 41 8.195 39.663 112.727 1.00 0.66 C ATOM 336 O TRP A 41 8.116 38.457 112.520 1.00 0.66 O ATOM 337 CB TRP A 41 6.207 40.797 113.801 1.00 0.66 C ATOM 338 CG TRP A 41 5.202 39.705 113.467 1.00 0.66 C ATOM 339 CD1 TRP A 41 4.653 39.397 112.255 1.00 0.66 C ATOM 340 CD2 TRP A 41 4.757 38.698 114.393 1.00 0.66 C ATOM 341 NE1 TRP A 41 3.856 38.279 112.369 1.00 0.66 N ATOM 342 CE2 TRP A 41 3.918 37.819 113.664 1.00 0.66 C ATOM 343 CE3 TRP A 41 5.026 38.478 115.742 1.00 0.66 C ATOM 344 CZ2 TRP A 41 3.348 36.715 114.278 1.00 0.66 C ATOM 345 CZ3 TRP A 41 4.434 37.368 116.362 1.00 0.66 C ATOM 346 CH2 TRP A 41 3.617 36.490 115.635 1.00 0.66 C ATOM 347 N ILE A 42 8.831 40.513 111.884 1.00 0.71 N ATOM 348 CA ILE A 42 9.560 40.108 110.687 1.00 0.71 C ATOM 349 C ILE A 42 10.690 39.155 111.056 1.00 0.71 C ATOM 350 O ILE A 42 10.799 38.066 110.516 1.00 0.71 O ATOM 351 CB ILE A 42 10.090 41.345 109.939 1.00 0.71 C ATOM 352 CG1 ILE A 42 8.905 42.164 109.366 1.00 0.71 C ATOM 353 CG2 ILE A 42 11.066 40.940 108.805 1.00 0.71 C ATOM 354 CD1 ILE A 42 9.330 43.547 108.848 1.00 0.71 C ATOM 355 N SER A 43 11.520 39.493 112.068 1.00 0.64 N ATOM 356 CA SER A 43 12.614 38.622 112.490 1.00 0.64 C ATOM 357 C SER A 43 12.159 37.308 113.094 1.00 0.64 C ATOM 358 O SER A 43 12.752 36.258 112.856 1.00 0.64 O ATOM 359 CB SER A 43 13.607 39.322 113.467 1.00 0.64 C ATOM 360 OG SER A 43 13.053 39.592 114.758 1.00 0.64 O ATOM 361 N TYR A 44 11.091 37.361 113.908 1.00 0.63 N ATOM 362 CA TYR A 44 10.482 36.248 114.584 1.00 0.63 C ATOM 363 C TYR A 44 9.890 35.208 113.638 1.00 0.63 C ATOM 364 O TYR A 44 10.233 34.032 113.728 1.00 0.63 O ATOM 365 CB TYR A 44 9.399 36.850 115.517 1.00 0.63 C ATOM 366 CG TYR A 44 8.863 35.875 116.500 1.00 0.63 C ATOM 367 CD1 TYR A 44 9.721 35.103 117.301 1.00 0.63 C ATOM 368 CD2 TYR A 44 7.477 35.752 116.649 1.00 0.63 C ATOM 369 CE1 TYR A 44 9.190 34.211 118.234 1.00 0.63 C ATOM 370 CE2 TYR A 44 6.944 34.874 117.596 1.00 0.63 C ATOM 371 CZ TYR A 44 7.812 34.106 118.375 1.00 0.63 C ATOM 372 OH TYR A 44 7.307 33.206 119.306 1.00 0.63 O ATOM 373 N SER A 45 9.067 35.631 112.652 1.00 0.55 N ATOM 374 CA SER A 45 8.442 34.745 111.673 1.00 0.55 C ATOM 375 C SER A 45 9.441 34.154 110.686 1.00 0.55 C ATOM 376 O SER A 45 9.279 33.031 110.209 1.00 0.55 O ATOM 377 CB SER A 45 7.307 35.457 110.882 1.00 0.55 C ATOM 378 OG SER A 45 7.795 36.612 110.194 1.00 0.55 O ATOM 379 N ASP A 46 10.549 34.871 110.391 1.00 0.56 N ATOM 380 CA ASP A 46 11.617 34.405 109.526 1.00 0.56 C ATOM 381 C ASP A 46 12.509 33.365 110.228 1.00 0.56 C ATOM 382 O ASP A 46 13.364 32.723 109.615 1.00 0.56 O ATOM 383 CB ASP A 46 12.462 35.623 109.032 1.00 0.56 C ATOM 384 CG ASP A 46 11.829 36.354 107.850 1.00 0.56 C ATOM 385 OD1 ASP A 46 10.986 35.746 107.141 1.00 0.56 O ATOM 386 OD2 ASP A 46 12.262 37.509 107.592 1.00 0.56 O ATOM 387 N GLY A 47 12.328 33.165 111.555 1.00 0.39 N ATOM 388 CA GLY A 47 13.089 32.227 112.367 1.00 0.39 C ATOM 389 C GLY A 47 12.336 31.008 112.846 1.00 0.39 C ATOM 390 O GLY A 47 12.891 30.253 113.639 1.00 0.39 O ATOM 391 N ASP A 48 11.092 30.735 112.377 1.00 0.30 N ATOM 392 CA ASP A 48 10.262 29.618 112.845 1.00 0.30 C ATOM 393 C ASP A 48 10.897 28.237 112.684 1.00 0.30 C ATOM 394 O ASP A 48 10.713 27.337 113.502 1.00 0.30 O ATOM 395 CB ASP A 48 8.889 29.569 112.116 1.00 0.30 C ATOM 396 CG ASP A 48 7.947 30.667 112.577 1.00 0.30 C ATOM 397 OD1 ASP A 48 8.227 31.299 113.620 1.00 0.30 O ATOM 398 OD2 ASP A 48 6.903 30.837 111.896 1.00 0.30 O ATOM 399 N GLN A 49 11.700 28.034 111.621 1.00 0.32 N ATOM 400 CA GLN A 49 12.438 26.799 111.395 1.00 0.32 C ATOM 401 C GLN A 49 13.645 26.598 112.330 1.00 0.32 C ATOM 402 O GLN A 49 14.378 25.625 112.177 1.00 0.32 O ATOM 403 CB GLN A 49 12.932 26.726 109.916 1.00 0.32 C ATOM 404 CG GLN A 49 11.801 26.711 108.856 1.00 0.32 C ATOM 405 CD GLN A 49 10.893 25.495 109.036 1.00 0.32 C ATOM 406 OE1 GLN A 49 11.340 24.348 109.080 1.00 0.32 O ATOM 407 NE2 GLN A 49 9.565 25.725 109.130 1.00 0.32 N ATOM 408 N CYS A 50 13.878 27.493 113.320 1.00 0.26 N ATOM 409 CA CYS A 50 15.063 27.505 114.164 1.00 0.26 C ATOM 410 C CYS A 50 14.710 27.998 115.578 1.00 0.26 C ATOM 411 O CYS A 50 15.505 28.707 116.192 1.00 0.26 O ATOM 412 CB CYS A 50 16.166 28.460 113.587 1.00 0.26 C ATOM 413 SG CYS A 50 16.838 27.996 111.950 1.00 0.26 S ATOM 414 N ALA A 51 13.505 27.668 116.104 1.00 0.38 N ATOM 415 CA ALA A 51 13.115 27.954 117.477 1.00 0.38 C ATOM 416 C ALA A 51 13.647 26.920 118.514 1.00 0.38 C ATOM 417 O ALA A 51 14.284 25.908 118.116 1.00 0.38 O ATOM 418 CB ALA A 51 11.573 28.001 117.588 1.00 0.38 C ATOM 419 OXT ALA A 51 13.395 27.144 119.731 1.00 0.38 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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