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*** ***elNémo ID: 240504015352236104Job options:ID = 240504015352236104 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 42.145 42.145 66.787 90.00 90.00 120.00 P 1 1 ATOM 1 N ALA A 1 9.073 38.624 25.204 1.00 29.98 N ATOM 2 CA ALA A 1 9.528 37.206 25.236 1.00 32.66 C ATOM 3 C ALA A 1 9.242 36.533 23.894 1.00 25.74 C ATOM 4 O ALA A 1 9.032 37.213 22.886 1.00 20.56 O ATOM 5 CB ALA A 1 8.851 36.458 26.377 1.00 33.17 C ATOM 6 N GLU A 2 9.226 35.203 23.888 1.00 20.93 N ATOM 7 CA GLU A 2 9.105 34.439 22.651 1.00 19.54 C ATOM 8 C GLU A 2 7.834 34.786 21.871 1.00 19.78 C ATOM 9 O GLU A 2 7.876 34.947 20.653 1.00 16.05 O ATOM 10 CB GLU A 2 9.135 32.936 22.951 1.00 19.71 C ATOM 11 CG GLU A 2 10.518 32.392 23.310 1.00 25.10 C ATOM 12 CD GLU A 2 10.972 32.764 24.712 1.00 29.16 C ATOM 13 OE1 GLU A 2 10.117 33.123 25.547 1.00 28.05 O ATOM 14 OE2 GLU A 2 12.190 32.698 24.980 1.00 25.98 O ATOM 15 N ALA A 3 6.715 34.894 22.580 1.00 21.50 N ATOM 16 CA ALA A 3 5.438 35.216 21.950 1.00 19.99 C ATOM 17 C ALA A 3 5.504 36.564 21.240 1.00 14.69 C ATOM 18 O ALA A 3 5.056 36.698 20.101 1.00 17.92 O ATOM 19 CB ALA A 3 4.321 35.218 22.984 1.00 25.63 C ATOM 20 N GLU A 4 6.064 37.559 21.919 1.00 21.98 N ATOM 21 CA GLU A 4 6.185 38.898 21.353 1.00 23.25 C ATOM 22 C GLU A 4 7.091 38.896 20.127 1.00 18.10 C ATOM 23 O GLU A 4 6.772 39.509 19.108 1.00 16.74 O ATOM 24 CB GLU A 4 6.731 39.872 22.400 1.00 23.15 C ATOM 25 CG GLU A 4 5.783 40.128 23.560 1.00 44.88 C ATOM 26 CD GLU A 4 6.383 41.039 24.613 1.00 64.90 C ATOM 27 OE1 GLU A 4 7.598 41.318 24.537 1.00 71.69 O ATOM 28 OE2 GLU A 4 5.639 41.476 25.516 1.00 73.47 O ATOM 29 N SER A 5 8.221 38.205 20.231 1.00 16.58 N ATOM 30 CA SER A 5 9.175 38.127 19.131 1.00 15.54 C ATOM 31 C SER A 5 8.551 37.417 17.934 1.00 13.10 C ATOM 32 O SER A 5 8.778 37.791 16.779 1.00 13.63 O ATOM 33 CB SER A 5 10.446 37.404 19.575 1.00 16.81 C ATOM 34 OG SER A 5 11.120 38.139 20.583 1.00 20.84 O ATOM 35 N ALA A 6 7.747 36.402 18.226 1.00 12.22 N ATOM 36 CA ALA A 6 7.092 35.626 17.180 1.00 10.79 C ATOM 37 C ALA A 6 6.101 36.487 16.408 1.00 14.04 C ATOM 38 O ALA A 6 6.032 36.412 15.181 1.00 11.60 O ATOM 39 CB ALA A 6 6.390 34.417 17.767 1.00 11.04 C ATOM 40 N LEU A 7 5.343 37.313 17.122 1.00 12.30 N ATOM 41 CA LEU A 7 4.334 38.139 16.465 1.00 12.44 C ATOM 42 C LEU A 7 4.991 39.250 15.673 1.00 13.81 C ATOM 43 O LEU A 7 4.507 39.621 14.603 1.00 13.94 O ATOM 44 CB LEU A 7 3.354 38.722 17.483 1.00 12.87 C ATOM 45 CG LEU A 7 2.482 37.697 18.210 1.00 20.92 C ATOM 46 CD1 LEU A 7 1.427 38.445 18.983 1.00 20.19 C ATOM 47 CD2 LEU A 7 1.841 36.685 17.262 1.00 19.07 C ATOM 48 N GLU A 8 6.104 39.762 16.186 1.00 11.78 N ATOM 49 CA GLU A 8 6.848 40.798 15.483 1.00 13.55 C ATOM 50 C GLU A 8 7.402 40.242 14.166 1.00 13.99 C ATOM 51 O GLU A 8 7.313 40.882 13.122 1.00 13.35 O ATOM 52 CB GLU A 8 7.980 41.339 16.360 1.00 17.99 C ATOM 53 CG GLU A 8 8.703 42.536 15.757 1.00 29.92 C ATOM 54 CD GLU A 8 9.694 43.174 16.716 1.00 41.41 C ATOM 55 OE1 GLU A 8 9.667 42.839 17.920 1.00 45.88 O ATOM 56 OE2 GLU A 8 10.500 44.012 16.262 1.00 46.55 O ATOM 57 N TYR A 9 7.953 39.034 14.225 1.00 10.50 N ATOM 58 CA TYR A 9 8.486 38.360 13.048 1.00 10.58 C ATOM 59 C TYR A 9 7.376 38.071 12.039 1.00 9.31 C ATOM 60 O TYR A 9 7.536 38.293 10.845 1.00 11.38 O ATOM 61 CB TYR A 9 9.187 37.068 13.482 1.00 11.08 C ATOM 62 CG TYR A 9 9.652 36.152 12.374 1.00 9.19 C ATOM 63 CD1 TYR A 9 10.970 36.178 11.935 1.00 15.33 C ATOM 64 CD2 TYR A 9 8.790 35.228 11.796 1.00 10.19 C ATOM 65 CE1 TYR A 9 11.407 35.328 10.939 1.00 15.74 C ATOM 66 CE2 TYR A 9 9.219 34.374 10.800 1.00 12.78 C ATOM 67 CZ TYR A 9 10.527 34.424 10.377 1.00 14.51 C ATOM 68 OH TYR A 9 10.948 33.566 9.386 1.00 18.38 O ATOM 69 N ALA A 10 6.249 37.575 12.540 1.00 9.46 N ATOM 70 CA ALA A 10 5.102 37.263 11.698 1.00 9.93 C ATOM 71 C ALA A 10 4.636 38.505 10.950 1.00 11.37 C ATOM 72 O ALA A 10 4.365 38.449 9.756 1.00 10.85 O ATOM 73 CB ALA A 10 3.970 36.694 12.543 1.00 10.64 C ATOM 74 N GLN A 11 4.561 39.626 11.663 1.00 10.61 N ATOM 75 CA GLN A 11 4.130 40.887 11.061 1.00 10.16 C ATOM 76 C GLN A 11 5.108 41.335 9.976 1.00 11.85 C ATOM 77 O GLN A 11 4.701 41.803 8.911 1.00 13.10 O ATOM 78 CB GLN A 11 4.002 41.969 12.127 1.00 13.73 C ATOM 79 CG GLN A 11 3.214 43.184 11.688 1.00 28.29 C ATOM 80 CD GLN A 11 1.845 43.239 12.341 1.00 38.83 C ATOM 81 OE1 GLN A 11 1.731 43.241 13.566 1.00 45.48 O ATOM 82 NE2 GLN A 11 0.798 43.274 11.526 1.00 34.19 N ATOM 83 N GLN A 12 6.397 41.174 10.243 1.00 10.47 N ATOM 84 CA GLN A 12 7.424 41.524 9.267 1.00 13.06 C ATOM 85 C GLN A 12 7.357 40.617 8.033 1.00 12.02 C ATOM 86 O GLN A 12 7.475 41.086 6.909 1.00 12.28 O ATOM 87 CB GLN A 12 8.808 41.455 9.914 1.00 13.03 C ATOM 88 CG GLN A 12 9.038 42.559 10.938 1.00 18.83 C ATOM 89 CD GLN A 12 10.207 42.295 11.869 1.00 33.06 C ATOM 90 OE1 GLN A 12 10.789 41.211 11.873 1.00 36.79 O ATOM 91 NE2 GLN A 12 10.552 43.296 12.671 1.00 38.60 N ATOM 92 N ALA A 13 7.147 39.322 8.251 1.00 11.24 N ATOM 93 CA ALA A 13 6.961 38.371 7.163 1.00 11.59 C ATOM 94 C ALA A 13 5.752 38.719 6.292 1.00 11.74 C ATOM 95 O ALA A 13 5.827 38.639 5.068 1.00 10.30 O ATOM 96 CB ALA A 13 6.817 36.953 7.717 1.00 10.84 C ATOM 97 N LEU A 14 4.651 39.114 6.920 1.00 10.31 N ATOM 98 CA LEU A 14 3.448 39.476 6.180 1.00 10.42 C ATOM 99 C LEU A 14 3.667 40.757 5.370 1.00 11.16 C ATOM 100 O LEU A 14 3.173 40.860 4.252 1.00 11.65 O ATOM 101 CB LEU A 14 2.254 39.639 7.127 1.00 12.70 C ATOM 102 CG LEU A 14 1.727 38.367 7.804 1.00 13.81 C ATOM 103 CD1 LEU A 14 0.418 38.685 8.515 1.00 16.56 C ATOM 104 CD2 LEU A 14 1.552 37.212 6.829 1.00 17.93 C ATOM 105 N GLU A 15 4.406 41.713 5.930 1.00 10.71 N ATOM 106 CA GLU A 15 4.772 42.940 5.220 1.00 12.04 C ATOM 107 C GLU A 15 5.525 42.607 3.934 1.00 13.34 C ATOM 108 O GLU A 15 5.258 43.185 2.869 1.00 12.96 O ATOM 109 CB GLU A 15 5.622 43.854 6.111 1.00 12.99 C ATOM 110 CG GLU A 15 4.813 44.667 7.101 1.00 19.10 C ATOM 111 CD GLU A 15 5.661 45.305 8.182 1.00 30.63 C ATOM 112 OE1 GLU A 15 6.906 45.239 8.090 1.00 34.49 O ATOM 113 OE2 GLU A 15 5.076 45.871 9.130 1.00 33.91 O ATOM 114 N LYS A 16 6.441 41.648 4.038 1.00 11.33 N ATOM 115 CA LYS A 16 7.226 41.202 2.896 1.00 10.55 C ATOM 116 C LYS A 16 6.327 40.542 1.854 1.00 11.65 C ATOM 117 O LYS A 16 6.483 40.778 0.656 1.00 11.45 O ATOM 118 CB LYS A 16 8.313 40.222 3.342 1.00 11.79 C ATOM 119 CG LYS A 16 9.496 40.883 4.031 1.00 13.89 C ATOM 120 CD LYS A 16 10.468 39.850 4.580 1.00 16.38 C ATOM 121 CE LYS A 16 11.530 40.496 5.454 1.00 24.64 C ATOM 122 NZ LYS A 16 12.504 39.500 5.979 1.00 26.01 N ATOM 123 N ALA A 17 5.384 39.718 2.307 1.00 10.24 N ATOM 124 CA ALA A 17 4.478 39.051 1.387 1.00 9.60 C ATOM 125 C ALA A 17 3.645 40.080 0.641 1.00 12.12 C ATOM 126 O ALA A 17 3.361 39.922 -0.540 1.00 12.37 O ATOM 127 CB ALA A 17 3.575 38.083 2.116 1.00 9.84 C ATOM 128 N GLN A 18 3.256 41.141 1.341 1.00 10.70 N ATOM 129 CA GLN A 18 2.373 42.133 0.747 1.00 13.98 C ATOM 130 C GLN A 18 3.068 42.928 -0.337 1.00 12.17 C ATOM 131 O GLN A 18 2.457 43.245 -1.359 1.00 11.65 O ATOM 132 CB GLN A 18 1.848 43.079 1.808 1.00 12.94 C ATOM 133 CG GLN A 18 0.846 42.450 2.703 1.00 16.11 C ATOM 134 CD GLN A 18 0.489 43.379 3.803 1.00 25.65 C ATOM 135 OE1 GLN A 18 1.290 43.613 4.707 1.00 24.60 O ATOM 136 NE2 GLN A 18 -0.700 43.959 3.726 1.00 24.16 N ATOM 137 N LEU A 19 4.336 43.261 -0.123 1.00 10.76 N ATOM 138 CA LEU A 19 5.046 44.066 -1.112 1.00 12.81 C ATOM 139 C LEU A 19 5.336 43.240 -2.362 1.00 13.64 C ATOM 140 O LEU A 19 5.260 43.762 -3.467 1.00 13.36 O ATOM 141 CB LEU A 19 6.329 44.669 -0.522 1.00 13.33 C ATOM 142 CG LEU A 19 7.505 43.806 -0.065 1.00 15.24 C ATOM 143 CD1 LEU A 19 8.463 43.550 -1.211 1.00 15.28 C ATOM 144 CD2 LEU A 19 8.234 44.470 1.101 1.00 19.12 C ATOM 145 N ALA A 20 5.641 41.952 -2.193 1.00 12.14 N ATOM 146 CA ALA A 20 5.814 41.056 -3.337 1.00 11.18 C ATOM 147 C ALA A 20 4.494 40.864 -4.088 1.00 14.50 C ATOM 148 O ALA A 20 4.469 40.823 -5.321 1.00 15.26 O ATOM 149 CB ALA A 20 6.364 39.712 -2.879 1.00 12.88 C ATOM 150 N LEU A 21 3.397 40.786 -3.343 1.00 12.30 N ATOM 151 CA LEU A 21 2.081 40.630 -3.948 1.00 11.47 C ATOM 152 C LEU A 21 1.745 41.847 -4.811 1.00 14.82 C ATOM 153 O LEU A 21 1.173 41.711 -5.892 1.00 14.77 O ATOM 154 CB LEU A 21 1.014 40.445 -2.868 1.00 12.48 C ATOM 155 CG LEU A 21 0.896 39.032 -2.292 1.00 21.12 C ATOM 156 CD1 LEU A 21 -0.379 38.891 -1.476 1.00 19.28 C ATOM 157 CD2 LEU A 21 0.941 37.995 -3.404 1.00 24.93 C ATOM 158 N GLN A 22 2.104 43.034 -4.327 1.00 12.49 N ATOM 159 CA GLN A 22 1.838 44.277 -5.057 1.00 13.69 C ATOM 160 C GLN A 22 2.652 44.337 -6.346 1.00 15.03 C ATOM 161 O GLN A 22 2.175 44.837 -7.372 1.00 17.10 O ATOM 162 CB GLN A 22 2.144 45.500 -4.185 1.00 16.27 C ATOM 163 CG GLN A 22 1.068 45.803 -3.150 1.00 20.28 C ATOM 164 CD GLN A 22 -0.253 46.184 -3.793 1.00 27.15 C ATOM 165 OE1 GLN A 22 -1.199 45.398 -3.808 1.00 38.40 O ATOM 166 NE2 GLN A 22 -0.320 47.394 -4.332 1.00 31.78 N ATOM 167 N ALA A 23 3.880 43.837 -6.289 1.00 13.94 N ATOM 168 CA ALA A 23 4.705 43.706 -7.484 1.00 14.83 C ATOM 169 C ALA A 23 4.034 42.770 -8.490 1.00 16.77 C ATOM 170 O ALA A 23 3.957 43.076 -9.676 1.00 16.40 O ATOM 171 CB ALA A 23 6.085 43.191 -7.122 1.00 14.59 C ATOM 172 N ALA A 24 3.552 41.632 -8.002 1.00 15.28 N ATOM 173 CA ALA A 24 2.887 40.654 -8.857 1.00 16.23 C ATOM 174 C ALA A 24 1.622 41.252 -9.461 1.00 16.10 C ATOM 175 O ALA A 24 1.327 41.045 -10.638 1.00 17.11 O ATOM 176 CB ALA A 24 2.554 39.397 -8.068 1.00 17.43 C ATOM 177 N ARG A 25 0.879 41.996 -8.648 1.00 15.53 N ATOM 178 CA ARG A 25 -0.355 42.627 -9.103 1.00 16.63 C ATOM 179 C ARG A 25 -0.073 43.557 -10.277 1.00 18.49 C ATOM 180 O ARG A 25 -0.803 43.561 -11.268 1.00 19.18 O ATOM 181 CB ARG A 25 -1.009 43.409 -7.963 1.00 17.35 C ATOM 182 CG ARG A 25 -1.676 42.533 -6.916 1.00 23.37 C ATOM 183 CD ARG A 25 -2.478 43.362 -5.926 1.00 28.90 C ATOM 184 NE ARG A 25 -3.859 43.551 -6.360 1.00 33.70 N ATOM 185 CZ ARG A 25 -4.710 44.402 -5.796 1.00 40.23 C ATOM 186 NH1 ARG A 25 -4.323 45.147 -4.769 1.00 45.00 N ATOM 187 NH2 ARG A 25 -5.948 44.509 -6.257 1.00 42.66 N ATOM 188 N GLN A 26 0.991 44.345 -10.158 1.00 19.98 N ATOM 189 CA GLN A 26 1.373 45.279 -11.210 1.00 19.15 C ATOM 190 C GLN A 26 1.806 44.523 -12.460 1.00 19.95 C ATOM 191 O GLN A 26 1.496 44.926 -13.581 1.00 23.75 O ATOM 192 CB GLN A 26 2.506 46.188 -10.731 1.00 21.66 C ATOM 193 CG GLN A 26 2.998 47.170 -11.782 1.00 20.84 C ATOM 194 CD GLN A 26 1.928 48.158 -12.203 1.00 25.45 C ATOM 195 OE1 GLN A 26 1.014 48.464 -11.438 1.00 22.72 O ATOM 196 NE2 GLN A 26 2.037 48.662 -13.427 1.00 29.35 N ATOM 197 N ALA A 27 2.525 43.423 -12.259 1.00 19.20 N ATOM 198 CA ALA A 27 3.002 42.604 -13.369 1.00 24.95 C ATOM 199 C ALA A 27 1.836 42.056 -14.195 1.00 23.76 C ATOM 200 O ALA A 27 1.910 42.000 -15.425 1.00 28.09 O ATOM 201 CB ALA A 27 3.872 41.462 -12.847 1.00 19.97 C ATOM 202 N LEU A 28 0.768 41.656 -13.513 1.00 22.52 N ATOM 203 CA LEU A 28 -0.410 41.115 -14.181 1.00 26.50 C ATOM 204 C LEU A 28 -1.044 42.160 -15.092 1.00 35.14 C ATOM 205 O LEU A 28 -1.278 41.908 -16.274 1.00 34.52 O ATOM 206 CB LEU A 28 -1.431 40.623 -13.153 1.00 33.12 C ATOM 207 CG LEU A 28 -1.106 39.301 -12.454 1.00 34.94 C ATOM 208 CD1 LEU A 28 -2.311 38.796 -11.676 1.00 35.27 C ATOM 209 CD2 LEU A 28 -0.638 38.262 -13.461 1.00 38.68 C ATOM 210 N LYS A 29 -1.321 43.334 -14.534 1.00 30.18 N ATOM 211 CA LYS A 29 -1.926 44.419 -15.295 1.00 38.16 C ATOM 212 C LYS A 29 -1.006 44.869 -16.423 1.00 38.43 C ATOM 213 O LYS A 29 -1.453 45.461 -17.405 1.00 45.23 O ATOM 214 CB LYS A 29 -2.252 45.601 -14.379 1.00 40.51 C ATOM 215 CG LYS A 29 -3.455 45.375 -13.478 1.00 46.69 C ATOM 216 CD LYS A 29 -3.986 46.688 -12.927 1.00 51.46 C ATOM 217 CE LYS A 29 -5.194 46.462 -12.031 1.00 54.11 C ATOM 218 NZ LYS A 29 -4.886 45.538 -10.906 1.00 52.96 N ATOM 219 N ALA A 30 0.284 44.583 -16.276 1.00 40.75 N ATOM 220 CA ALA A 30 1.271 44.955 -17.281 1.00 42.04 C ATOM 221 C ALA A 30 1.141 44.072 -18.516 1.00 41.33 C ATOM 222 O ALA A 30 0.451 44.424 -19.473 1.00 38.72 O ATOM 223 CB ALA A 30 2.674 44.853 -16.703 1.00 44.66 C ATOM 224 N ALA B 1 -9.071 38.628 -14.640 1.00 28.44 N ATOM 225 CA ALA B 1 -9.555 37.219 -14.644 1.00 33.00 C ATOM 226 C ALA B 1 -9.255 36.558 -13.299 1.00 24.38 C ATOM 227 O ALA B 1 -9.015 37.247 -12.307 1.00 20.78 O ATOM 228 CB ALA B 1 -8.918 36.441 -15.789 1.00 33.54 C ATOM 229 N GLU B 2 -9.262 35.226 -13.277 1.00 22.01 N ATOM 230 CA GLU B 2 -9.142 34.470 -12.037 1.00 18.42 C ATOM 231 C GLU B 2 -7.857 34.799 -11.274 1.00 19.06 C ATOM 232 O GLU B 2 -7.879 34.957 -10.054 1.00 17.95 O ATOM 233 CB GLU B 2 -9.202 32.968 -12.328 1.00 21.17 C ATOM 234 CG GLU B 2 -10.591 32.459 -12.707 1.00 27.30 C ATOM 235 CD GLU B 2 -10.988 32.796 -14.136 1.00 30.81 C ATOM 236 OE1 GLU B 2 -10.094 33.073 -14.960 1.00 29.36 O ATOM 237 OE2 GLU B 2 -12.200 32.786 -14.436 1.00 28.26 O ATOM 238 N ALA B 3 -6.745 34.918 -11.991 1.00 21.26 N ATOM 239 CA ALA B 3 -5.467 35.200 -11.347 1.00 19.85 C ATOM 240 C ALA B 3 -5.525 36.536 -10.620 1.00 16.87 C ATOM 241 O ALA B 3 -5.124 36.638 -9.457 1.00 16.59 O ATOM 242 CB ALA B 3 -4.343 35.203 -12.363 1.00 21.22 C ATOM 243 N GLU B 4 -6.021 37.556 -11.312 1.00 20.63 N ATOM 244 CA GLU B 4 -6.131 38.892 -10.739 1.00 20.23 C ATOM 245 C GLU B 4 -7.058 38.888 -9.529 1.00 16.51 C ATOM 246 O GLU B 4 -6.750 39.487 -8.499 1.00 15.83 O ATOM 247 CB GLU B 4 -6.646 39.883 -11.785 1.00 24.89 C ATOM 248 CG GLU B 4 -5.558 40.472 -12.667 1.00 50.05 C ATOM 249 CD GLU B 4 -6.101 41.453 -13.687 1.00 70.83 C ATOM 250 OE1 GLU B 4 -5.331 42.323 -14.146 1.00 79.13 O ATOM 251 OE2 GLU B 4 -7.298 41.355 -14.029 1.00 78.31 O ATOM 252 N SER B 5 -8.194 38.210 -9.659 1.00 16.47 N ATOM 253 CA SER B 5 -9.159 38.136 -8.571 1.00 15.53 C ATOM 254 C SER B 5 -8.544 37.425 -7.371 1.00 14.00 C ATOM 255 O SER B 5 -8.792 37.789 -6.217 1.00 14.05 O ATOM 256 CB SER B 5 -10.427 37.415 -9.025 1.00 18.41 C ATOM 257 OG SER B 5 -11.099 38.166 -10.021 1.00 22.19 O ATOM 258 N ALA B 6 -7.729 36.417 -7.657 1.00 13.44 N ATOM 259 CA ALA B 6 -7.092 35.634 -6.608 1.00 12.24 C ATOM 260 C ALA B 6 -6.096 36.489 -5.834 1.00 13.46 C ATOM 261 O ALA B 6 -6.013 36.404 -4.607 1.00 10.89 O ATOM 262 CB ALA B 6 -6.401 34.416 -7.191 1.00 12.65 C ATOM 263 N LEU B 7 -5.343 37.321 -6.548 1.00 12.87 N ATOM 264 CA LEU B 7 -4.333 38.143 -5.892 1.00 12.92 C ATOM 265 C LEU B 7 -4.990 39.254 -5.095 1.00 12.58 C ATOM 266 O LEU B 7 -4.516 39.599 -4.014 1.00 12.02 O ATOM 267 CB LEU B 7 -3.351 38.723 -6.911 1.00 14.62 C ATOM 268 CG LEU B 7 -2.435 37.703 -7.595 1.00 16.96 C ATOM 269 CD1 LEU B 7 -1.372 38.435 -8.382 1.00 19.05 C ATOM 270 CD2 LEU B 7 -1.792 36.732 -6.606 1.00 16.25 C ATOM 271 N GLU B 8 -6.089 39.798 -5.608 1.00 13.28 N ATOM 272 CA GLU B 8 -6.831 40.824 -4.871 1.00 14.07 C ATOM 273 C GLU B 8 -7.398 40.254 -3.566 1.00 15.31 C ATOM 274 O GLU B 8 -7.307 40.873 -2.502 1.00 13.48 O ATOM 275 CB GLU B 8 -7.960 41.400 -5.730 1.00 16.73 C ATOM 276 CG GLU B 8 -8.711 42.543 -5.060 1.00 25.33 C ATOM 277 CD GLU B 8 -9.753 43.170 -5.965 1.00 41.37 C ATOM 278 OE1 GLU B 8 -10.042 42.594 -7.034 1.00 48.13 O ATOM 279 OE2 GLU B 8 -10.282 44.243 -5.606 1.00 45.98 O ATOM 280 N TYR B 9 -7.975 39.061 -3.655 1.00 12.85 N ATOM 281 CA TYR B 9 -8.501 38.371 -2.485 1.00 12.43 C ATOM 282 C TYR B 9 -7.382 38.086 -1.493 1.00 12.67 C ATOM 283 O TYR B 9 -7.532 38.314 -0.298 1.00 11.65 O ATOM 284 CB TYR B 9 -9.189 37.078 -2.925 1.00 10.73 C ATOM 285 CG TYR B 9 -9.652 36.162 -1.815 1.00 10.07 C ATOM 286 CD1 TYR B 9 -10.964 36.198 -1.369 1.00 13.84 C ATOM 287 CD2 TYR B 9 -8.791 35.232 -1.241 1.00 14.42 C ATOM 288 CE1 TYR B 9 -11.404 35.348 -0.376 1.00 16.09 C ATOM 289 CE2 TYR B 9 -9.223 34.379 -0.245 1.00 12.95 C ATOM 290 CZ TYR B 9 -10.529 34.441 0.182 1.00 15.51 C ATOM 291 OH TYR B 9 -10.968 33.592 1.174 1.00 18.01 O ATOM 292 N ALA B 10 -6.252 37.609 -1.998 1.00 9.48 N ATOM 293 CA ALA B 10 -5.119 37.286 -1.144 1.00 9.87 C ATOM 294 C ALA B 10 -4.650 38.514 -0.380 1.00 11.10 C ATOM 295 O ALA B 10 -4.384 38.444 0.820 1.00 10.54 O ATOM 296 CB ALA B 10 -3.988 36.717 -1.964 1.00 9.68 C ATOM 297 N GLN B 11 -4.554 39.641 -1.086 1.00 10.25 N ATOM 298 CA GLN B 11 -4.120 40.891 -0.459 1.00 10.94 C ATOM 299 C GLN B 11 -5.120 41.324 0.614 1.00 11.04 C ATOM 300 O GLN B 11 -4.729 41.771 1.694 1.00 12.36 O ATOM 301 CB GLN B 11 -3.959 41.996 -1.502 1.00 15.53 C ATOM 302 CG GLN B 11 -3.407 43.300 -0.946 1.00 26.14 C ATOM 303 CD GLN B 11 -1.969 43.177 -0.474 1.00 42.13 C ATOM 304 OE1 GLN B 11 -1.692 43.208 0.725 1.00 52.60 O ATOM 305 NE2 GLN B 11 -1.043 43.044 -1.420 1.00 38.97 N ATOM 306 N GLN B 12 -6.403 41.171 0.324 1.00 9.96 N ATOM 307 CA GLN B 12 -7.440 41.503 1.295 1.00 11.17 C ATOM 308 C GLN B 12 -7.353 40.606 2.533 1.00 10.64 C ATOM 309 O GLN B 12 -7.467 41.084 3.656 1.00 11.66 O ATOM 310 CB GLN B 12 -8.821 41.399 0.648 1.00 12.77 C ATOM 311 CG GLN B 12 -9.092 42.515 -0.348 1.00 17.18 C ATOM 312 CD GLN B 12 -10.339 42.288 -1.177 1.00 30.50 C ATOM 313 OE1 GLN B 12 -10.731 41.151 -1.436 1.00 31.54 O ATOM 314 NE2 GLN B 12 -10.972 43.377 -1.599 1.00 39.02 N ATOM 315 N ALA B 13 -7.124 39.311 2.320 1.00 10.77 N ATOM 316 CA ALA B 13 -6.953 38.360 3.418 1.00 10.66 C ATOM 317 C ALA B 13 -5.746 38.708 4.288 1.00 9.88 C ATOM 318 O ALA B 13 -5.821 38.652 5.515 1.00 9.63 O ATOM 319 CB ALA B 13 -6.816 36.938 2.875 1.00 9.29 C ATOM 320 N LEU B 14 -4.642 39.078 3.655 1.00 9.97 N ATOM 321 CA LEU B 14 -3.445 39.448 4.396 1.00 10.99 C ATOM 322 C LEU B 14 -3.670 40.724 5.209 1.00 10.33 C ATOM 323 O LEU B 14 -3.169 40.836 6.322 1.00 11.65 O ATOM 324 CB LEU B 14 -2.254 39.619 3.449 1.00 13.58 C ATOM 325 CG LEU B 14 -1.760 38.349 2.750 1.00 16.06 C ATOM 326 CD1 LEU B 14 -0.505 38.669 1.951 1.00 15.24 C ATOM 327 CD2 LEU B 14 -1.510 37.216 3.737 1.00 19.41 C ATOM 328 N GLU B 15 -4.425 41.671 4.659 1.00 9.15 N ATOM 329 CA GLU B 15 -4.759 42.906 5.371 1.00 11.48 C ATOM 330 C GLU B 15 -5.525 42.588 6.650 1.00 13.50 C ATOM 331 O GLU B 15 -5.277 43.183 7.707 1.00 13.37 O ATOM 332 CB GLU B 15 -5.579 43.846 4.477 1.00 15.24 C ATOM 333 CG GLU B 15 -4.744 44.599 3.450 1.00 17.44 C ATOM 334 CD GLU B 15 -5.577 45.309 2.400 1.00 28.76 C ATOM 335 OE1 GLU B 15 -6.822 45.243 2.470 1.00 32.76 O ATOM 336 OE2 GLU B 15 -4.977 45.932 1.498 1.00 34.64 O ATOM 337 N LYS B 16 -6.452 41.645 6.554 1.00 12.19 N ATOM 338 CA LYS B 16 -7.216 41.209 7.717 1.00 14.24 C ATOM 339 C LYS B 16 -6.335 40.496 8.746 1.00 12.57 C ATOM 340 O LYS B 16 -6.499 40.683 9.948 1.00 10.58 O ATOM 341 CB LYS B 16 -8.366 40.309 7.278 1.00 13.13 C ATOM 342 CG LYS B 16 -9.403 41.042 6.451 1.00 15.62 C ATOM 343 CD LYS B 16 -10.497 40.119 5.953 1.00 20.37 C ATOM 344 CE LYS B 16 -11.448 40.879 5.039 1.00 22.86 C ATOM 345 NZ LYS B 16 -12.523 40.010 4.489 1.00 26.66 N ATOM 346 N ALA B 17 -5.388 39.688 8.282 1.00 11.18 N ATOM 347 CA ALA B 17 -4.460 39.038 9.197 1.00 12.24 C ATOM 348 C ALA B 17 -3.635 40.080 9.938 1.00 11.84 C ATOM 349 O ALA B 17 -3.346 39.930 11.124 1.00 12.49 O ATOM 350 CB ALA B 17 -3.546 38.084 8.448 1.00 10.93 C ATOM 351 N GLN B 18 -3.267 41.144 9.235 1.00 9.30 N ATOM 352 CA GLN B 18 -2.385 42.148 9.808 1.00 12.54 C ATOM 353 C GLN B 18 -3.071 42.933 10.904 1.00 10.28 C ATOM 354 O GLN B 18 -2.455 43.235 11.932 1.00 11.93 O ATOM 355 CB GLN B 18 -1.896 43.100 8.738 1.00 10.61 C ATOM 356 CG GLN B 18 -0.887 42.493 7.832 1.00 14.01 C ATOM 357 CD GLN B 18 -0.554 43.423 6.722 1.00 25.13 C ATOM 358 OE1 GLN B 18 -1.366 43.645 5.824 1.00 25.27 O ATOM 359 NE2 GLN B 18 0.635 44.006 6.776 1.00 25.91 N ATOM 360 N LEU B 19 -4.337 43.275 10.697 1.00 10.21 N ATOM 361 CA LEU B 19 -5.037 44.076 11.697 1.00 11.74 C ATOM 362 C LEU B 19 -5.340 43.236 12.940 1.00 13.59 C ATOM 363 O LEU B 19 -5.301 43.753 14.053 1.00 11.93 O ATOM 364 CB LEU B 19 -6.309 44.704 11.110 1.00 14.68 C ATOM 365 CG LEU B 19 -7.479 43.853 10.613 1.00 14.91 C ATOM 366 CD1 LEU B 19 -8.432 43.543 11.752 1.00 14.93 C ATOM 367 CD2 LEU B 19 -8.222 44.554 9.481 1.00 19.60 C ATOM 368 N ALA B 20 -5.614 41.945 12.756 1.00 12.47 N ATOM 369 CA ALA B 20 -5.807 41.042 13.888 1.00 12.03 C ATOM 370 C ALA B 20 -4.487 40.835 14.632 1.00 13.41 C ATOM 371 O ALA B 20 -4.465 40.752 15.861 1.00 13.65 O ATOM 372 CB ALA B 20 -6.369 39.705 13.422 1.00 11.40 C ATOM 373 N LEU B 21 -3.391 40.790 13.885 1.00 11.41 N ATOM 374 CA LEU B 21 -2.075 40.625 14.484 1.00 11.87 C ATOM 375 C LEU B 21 -1.742 41.836 15.354 1.00 14.45 C ATOM 376 O LEU B 21 -1.159 41.694 16.429 1.00 14.81 O ATOM 377 CB LEU B 21 -1.011 40.450 13.400 1.00 13.95 C ATOM 378 CG LEU B 21 0.354 39.960 13.888 1.00 24.40 C ATOM 379 CD1 LEU B 21 0.187 38.899 14.966 1.00 32.43 C ATOM 380 CD2 LEU B 21 1.177 39.424 12.727 1.00 30.88 C ATOM 381 N GLN B 22 -2.112 43.026 14.885 1.00 13.33 N ATOM 382 CA GLN B 22 -1.842 44.258 15.629 1.00 14.23 C ATOM 383 C GLN B 22 -2.640 44.304 16.925 1.00 14.11 C ATOM 384 O GLN B 22 -2.141 44.770 17.952 1.00 15.32 O ATOM 385 CB GLN B 22 -2.156 45.490 14.776 1.00 15.42 C ATOM 386 CG GLN B 22 -1.038 45.867 13.808 1.00 22.49 C ATOM 387 CD GLN B 22 0.205 46.347 14.538 1.00 28.62 C ATOM 388 OE1 GLN B 22 0.236 47.456 15.071 1.00 37.10 O ATOM 389 NE2 GLN B 22 1.224 45.503 14.584 1.00 36.40 N ATOM 390 N ALA B 23 -3.881 43.833 16.874 1.00 13.08 N ATOM 391 CA ALA B 23 -4.700 43.719 18.075 1.00 15.11 C ATOM 392 C ALA B 23 -4.041 42.769 19.076 1.00 15.63 C ATOM 393 O ALA B 23 -3.982 43.054 20.268 1.00 16.75 O ATOM 394 CB ALA B 23 -6.094 43.232 17.723 1.00 16.34 C ATOM 395 N ALA B 24 -3.541 41.640 18.578 1.00 16.92 N ATOM 396 CA ALA B 24 -2.900 40.646 19.435 1.00 19.53 C ATOM 397 C ALA B 24 -1.620 41.188 20.059 1.00 16.45 C ATOM 398 O ALA B 24 -1.341 40.942 21.233 1.00 17.36 O ATOM 399 CB ALA B 24 -2.603 39.378 18.651 1.00 18.36 C ATOM 400 N ARG B 25 -0.835 41.924 19.277 1.00 15.27 N ATOM 401 CA ARG B 25 0.402 42.490 19.805 1.00 16.18 C ATOM 402 C ARG B 25 0.100 43.498 20.912 1.00 17.68 C ATOM 403 O ARG B 25 0.792 43.527 21.933 1.00 19.53 O ATOM 404 CB ARG B 25 1.214 43.137 18.693 1.00 15.98 C ATOM 405 CG ARG B 25 1.750 42.112 17.710 1.00 18.11 C ATOM 406 CD ARG B 25 2.612 42.751 16.654 1.00 17.67 C ATOM 407 NE ARG B 25 3.887 43.212 17.194 1.00 28.42 N ATOM 408 CZ ARG B 25 4.638 44.157 16.638 1.00 37.77 C ATOM 409 NH1 ARG B 25 4.238 44.761 15.526 1.00 38.98 N ATOM 410 NH2 ARG B 25 5.785 44.506 17.200 1.00 39.84 N ATOM 411 N GLN B 26 -0.937 44.307 20.720 1.00 18.20 N ATOM 412 CA GLN B 26 -1.371 45.245 21.758 1.00 18.44 C ATOM 413 C GLN B 26 -1.828 44.503 23.017 1.00 19.23 C ATOM 414 O GLN B 26 -1.496 44.899 24.139 1.00 22.60 O ATOM 415 CB GLN B 26 -2.495 46.141 21.229 1.00 19.51 C ATOM 416 CG GLN B 26 -3.036 47.147 22.239 1.00 19.92 C ATOM 417 CD GLN B 26 -1.970 48.104 22.732 1.00 24.16 C ATOM 418 OE1 GLN B 26 -1.061 48.473 21.989 1.00 24.45 O ATOM 419 NE2 GLN B 26 -2.074 48.508 23.993 1.00 26.79 N ATOM 420 N ALA B 27 -2.585 43.426 22.824 1.00 18.26 N ATOM 421 CA ALA B 27 -3.087 42.620 23.930 1.00 22.99 C ATOM 422 C ALA B 27 -1.937 42.057 24.766 1.00 25.42 C ATOM 423 O ALA B 27 -2.045 41.943 25.989 1.00 30.79 O ATOM 424 CB ALA B 27 -3.971 41.489 23.400 1.00 18.61 C ATOM 425 N LEU B 28 -0.839 41.688 24.132 1.00 20.75 N ATOM 426 CA LEU B 28 0.304 41.126 24.851 1.00 26.43 C ATOM 427 C LEU B 28 1.097 42.175 25.642 1.00 34.20 C ATOM 428 O LEU B 28 1.691 41.876 26.632 1.00 34.40 O ATOM 429 CB LEU B 28 1.270 40.401 23.902 1.00 33.77 C ATOM 430 CG LEU B 28 1.030 38.942 23.517 1.00 32.69 C ATOM 431 CD1 LEU B 28 -0.293 38.772 22.848 1.00 39.48 C ATOM 432 CD2 LEU B 28 2.095 38.410 22.625 1.00 35.74 C ATOM 433 N LYS B 29 1.088 43.398 25.174 1.00 30.01 N ATOM 434 CA LYS B 29 1.800 44.459 25.836 1.00 36.29 C ATOM 435 C LYS B 29 1.247 44.766 27.190 1.00 34.93 C ATOM 436 O LYS B 29 1.977 45.156 28.073 1.00 32.04 O ATOM 437 CB LYS B 29 1.767 45.722 25.018 1.00 40.40 C ATOM 438 CG LYS B 29 2.704 45.699 23.845 1.00 45.68 C ATOM 439 CD LYS B 29 2.842 47.046 23.182 1.00 50.78 C ATOM 440 CE LYS B 29 3.770 47.001 21.968 1.00 55.93 C ATOM 441 NZ LYS B 29 4.054 45.706 21.237 1.00 57.63 N ATOM 442 N ALA B 30 -0.041 44.591 27.356 1.00 35.84 N ATOM 443 CA ALA B 30 -0.712 44.919 28.613 1.00 43.04 C ATOM 444 C ALA B 30 -0.075 44.192 29.794 1.00 46.52 C ATOM 445 O ALA B 30 -0.766 43.563 30.595 1.00 49.98 O ATOM 446 CB ALA B 30 -2.193 44.580 28.524 1.00 43.81 C END If you find results from this site helpful for your research, please cite one of our papers:
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