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*** f101nl2ca ***elNémo ID: 22031706475285135Job options:ID = 22031706475285135 JOBID = f101nl2ca 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 f101nl2ca CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1 ATOM 1 N ALA A 1 -0.501 32.709 125.337 1.00 0.44 N ATOM 2 CA ALA A 1 -1.539 32.780 126.428 1.00 0.44 C ATOM 3 C ALA A 1 -2.101 31.403 126.894 1.00 0.44 C ATOM 4 O ALA A 1 -2.727 30.723 126.089 1.00 0.44 O ATOM 5 CB ALA A 1 -2.706 33.658 125.883 1.00 0.44 C ATOM 6 N ASN A 2 -1.937 30.941 128.180 1.00 0.32 N ATOM 7 CA ASN A 2 -2.501 29.669 128.681 1.00 0.32 C ATOM 8 C ASN A 2 -3.911 29.804 129.282 1.00 0.32 C ATOM 9 O ASN A 2 -4.387 28.971 130.044 1.00 0.32 O ATOM 10 CB ASN A 2 -1.627 29.017 129.783 1.00 0.32 C ATOM 11 CG ASN A 2 -0.308 28.512 129.211 1.00 0.32 C ATOM 12 OD1 ASN A 2 -0.305 27.705 128.279 1.00 0.32 O ATOM 13 ND2 ASN A 2 0.831 28.944 129.795 1.00 0.32 N ATOM 14 N SER A 3 -4.589 30.902 128.938 1.00 0.34 N ATOM 15 CA SER A 3 -6.010 31.197 129.091 1.00 0.34 C ATOM 16 C SER A 3 -6.323 32.062 130.285 1.00 0.34 C ATOM 17 O SER A 3 -7.061 33.025 130.155 1.00 0.34 O ATOM 18 CB SER A 3 -7.071 30.053 129.089 1.00 0.34 C ATOM 19 OG SER A 3 -7.116 29.332 127.857 1.00 0.34 O ATOM 20 N PHE A 4 -5.792 31.725 131.482 1.00 0.35 N ATOM 21 CA PHE A 4 -6.205 32.316 132.754 1.00 0.35 C ATOM 22 C PHE A 4 -5.722 33.759 133.015 1.00 0.35 C ATOM 23 O PHE A 4 -6.046 34.690 132.291 1.00 0.35 O ATOM 24 CB PHE A 4 -5.833 31.359 133.934 1.00 0.35 C ATOM 25 CG PHE A 4 -6.706 30.125 134.005 1.00 0.35 C ATOM 26 CD1 PHE A 4 -6.128 28.859 134.215 1.00 0.35 C ATOM 27 CD2 PHE A 4 -8.110 30.222 134.002 1.00 0.35 C ATOM 28 CE1 PHE A 4 -6.928 27.723 134.400 1.00 0.35 C ATOM 29 CE2 PHE A 4 -8.913 29.084 134.165 1.00 0.35 C ATOM 30 CZ PHE A 4 -8.322 27.833 134.365 1.00 0.35 C ATOM 31 N LEU A 5 -4.966 34.025 134.105 1.00 0.41 N ATOM 32 CA LEU A 5 -4.689 35.391 134.535 1.00 0.41 C ATOM 33 C LEU A 5 -3.310 35.910 134.123 1.00 0.41 C ATOM 34 O LEU A 5 -2.864 36.953 134.592 1.00 0.41 O ATOM 35 CB LEU A 5 -4.837 35.567 136.066 1.00 0.41 C ATOM 36 CG LEU A 5 -6.234 35.280 136.659 1.00 0.41 C ATOM 37 CD1 LEU A 5 -6.219 35.790 138.106 1.00 0.41 C ATOM 38 CD2 LEU A 5 -7.402 35.931 135.893 1.00 0.41 C ATOM 39 N GLU A 6 -2.582 35.221 133.215 1.00 0.52 N ATOM 40 CA GLU A 6 -1.270 35.656 132.743 1.00 0.52 C ATOM 41 C GLU A 6 -1.290 37.038 132.075 1.00 0.52 C ATOM 42 O GLU A 6 -0.404 37.855 132.316 1.00 0.52 O ATOM 43 CB GLU A 6 -0.630 34.605 131.797 1.00 0.52 C ATOM 44 CG GLU A 6 -0.173 33.291 132.499 1.00 0.52 C ATOM 45 CD GLU A 6 -0.072 32.072 131.565 1.00 0.52 C ATOM 46 OE1 GLU A 6 -0.649 32.101 130.445 1.00 0.52 O ATOM 47 OE2 GLU A 6 0.542 31.061 131.994 1.00 0.52 O ATOM 48 N GLU A 7 -2.360 37.345 131.303 1.00 0.56 N ATOM 49 CA GLU A 7 -2.622 38.606 130.619 1.00 0.56 C ATOM 50 C GLU A 7 -2.874 39.804 131.544 1.00 0.56 C ATOM 51 O GLU A 7 -2.955 40.947 131.106 1.00 0.56 O ATOM 52 CB GLU A 7 -3.795 38.434 129.619 1.00 0.56 C ATOM 53 CG GLU A 7 -3.511 37.399 128.491 1.00 0.56 C ATOM 54 CD GLU A 7 -4.688 37.192 127.528 1.00 0.56 C ATOM 55 OE1 GLU A 7 -5.738 37.861 127.703 1.00 0.56 O ATOM 56 OE2 GLU A 7 -4.551 36.312 126.635 1.00 0.56 O ATOM 57 N MET A 8 -2.972 39.595 132.878 1.00 0.46 N ATOM 58 CA MET A 8 -2.950 40.689 133.837 1.00 0.46 C ATOM 59 C MET A 8 -1.552 41.233 134.086 1.00 0.46 C ATOM 60 O MET A 8 -1.368 42.342 134.584 1.00 0.46 O ATOM 61 CB MET A 8 -3.483 40.219 135.211 1.00 0.46 C ATOM 62 CG MET A 8 -4.938 39.716 135.187 1.00 0.46 C ATOM 63 SD MET A 8 -6.169 40.910 134.572 1.00 0.46 S ATOM 64 CE MET A 8 -6.012 42.116 135.919 1.00 0.46 C ATOM 65 N LYS A 9 -0.508 40.450 133.761 1.00 0.54 N ATOM 66 CA LYS A 9 0.855 40.884 133.929 1.00 0.54 C ATOM 67 C LYS A 9 1.249 41.769 132.776 1.00 0.54 C ATOM 68 O LYS A 9 0.806 41.582 131.649 1.00 0.54 O ATOM 69 CB LYS A 9 1.830 39.686 133.983 1.00 0.54 C ATOM 70 CG LYS A 9 1.608 38.824 135.229 1.00 0.54 C ATOM 71 CD LYS A 9 2.574 37.631 135.282 1.00 0.54 C ATOM 72 CE LYS A 9 2.378 36.770 136.534 1.00 0.54 C ATOM 73 NZ LYS A 9 3.312 35.620 136.539 1.00 0.54 N ATOM 74 N LYS A 10 2.148 42.746 133.012 1.00 0.57 N ATOM 75 CA LYS A 10 2.753 43.473 131.916 1.00 0.57 C ATOM 76 C LYS A 10 3.486 42.538 130.959 1.00 0.57 C ATOM 77 O LYS A 10 4.094 41.533 131.362 1.00 0.57 O ATOM 78 CB LYS A 10 3.689 44.613 132.411 1.00 0.57 C ATOM 79 CG LYS A 10 4.943 44.132 133.166 1.00 0.57 C ATOM 80 CD LYS A 10 5.860 45.278 133.631 1.00 0.57 C ATOM 81 CE LYS A 10 7.084 44.775 134.405 1.00 0.57 C ATOM 82 NZ LYS A 10 7.916 45.919 134.839 1.00 0.57 N ATOM 83 N GLY A 11 3.387 42.845 129.651 1.00 0.63 N ATOM 84 CA GLY A 11 4.043 42.104 128.594 1.00 0.63 C ATOM 85 C GLY A 11 5.534 41.957 128.804 1.00 0.63 C ATOM 86 O GLY A 11 6.227 42.902 129.160 1.00 0.63 O ATOM 87 N HIS A 12 6.080 40.751 128.582 1.00 0.61 N ATOM 88 CA HIS A 12 7.502 40.532 128.704 1.00 0.61 C ATOM 89 C HIS A 12 7.912 39.650 127.561 1.00 0.61 C ATOM 90 O HIS A 12 7.466 38.511 127.450 1.00 0.61 O ATOM 91 CB HIS A 12 7.820 39.823 130.039 1.00 0.61 C ATOM 92 CG HIS A 12 9.277 39.599 130.342 1.00 0.61 C ATOM 93 ND1 HIS A 12 10.072 40.704 130.525 1.00 0.61 N ATOM 94 CD2 HIS A 12 10.007 38.467 130.536 1.00 0.61 C ATOM 95 CE1 HIS A 12 11.270 40.224 130.824 1.00 0.61 C ATOM 96 NE2 HIS A 12 11.285 38.875 130.841 1.00 0.61 N ATOM 97 N LEU A 13 8.764 40.162 126.662 1.00 0.68 N ATOM 98 CA LEU A 13 9.119 39.501 125.427 1.00 0.68 C ATOM 99 C LEU A 13 9.806 38.175 125.588 1.00 0.68 C ATOM 100 O LEU A 13 9.533 37.231 124.855 1.00 0.68 O ATOM 101 CB LEU A 13 10.079 40.399 124.657 1.00 0.68 C ATOM 102 CG LEU A 13 10.422 39.922 123.245 1.00 0.68 C ATOM 103 CD1 LEU A 13 9.258 40.104 122.287 1.00 0.68 C ATOM 104 CD2 LEU A 13 11.634 40.709 122.784 1.00 0.68 C ATOM 105 N GLU A 14 10.724 38.069 126.564 1.00 0.59 N ATOM 106 CA GLU A 14 11.412 36.835 126.831 1.00 0.59 C ATOM 107 C GLU A 14 10.417 35.739 127.201 1.00 0.59 C ATOM 108 O GLU A 14 10.298 34.759 126.489 1.00 0.59 O ATOM 109 CB GLU A 14 12.408 37.100 127.954 1.00 0.59 C ATOM 110 CG GLU A 14 13.269 35.930 128.465 1.00 0.59 C ATOM 111 CD GLU A 14 14.120 36.493 129.610 1.00 0.59 C ATOM 112 OE1 GLU A 14 13.566 37.348 130.366 1.00 0.59 O ATOM 113 OE2 GLU A 14 15.328 36.163 129.687 1.00 0.59 O ATOM 114 N ARG A 15 9.559 35.975 128.220 1.00 0.55 N ATOM 115 CA ARG A 15 8.589 35.001 128.716 1.00 0.55 C ATOM 116 C ARG A 15 7.526 34.654 127.693 1.00 0.55 C ATOM 117 O ARG A 15 7.256 33.492 127.422 1.00 0.55 O ATOM 118 CB ARG A 15 7.878 35.555 129.988 1.00 0.55 C ATOM 119 CG ARG A 15 6.913 34.614 130.748 1.00 0.55 C ATOM 120 CD ARG A 15 5.639 35.328 131.241 1.00 0.55 C ATOM 121 NE ARG A 15 5.979 36.551 132.067 1.00 0.55 N ATOM 122 CZ ARG A 15 5.250 37.678 132.014 1.00 0.55 C ATOM 123 NH1 ARG A 15 4.149 37.774 131.287 1.00 0.55 N ATOM 124 NH2 ARG A 15 5.651 38.778 132.662 1.00 0.55 N ATOM 125 N GLU A 16 6.908 35.680 127.072 1.00 0.63 N ATOM 126 CA GLU A 16 5.797 35.452 126.171 1.00 0.63 C ATOM 127 C GLU A 16 6.239 34.984 124.777 1.00 0.63 C ATOM 128 O GLU A 16 5.613 34.109 124.201 1.00 0.63 O ATOM 129 CB GLU A 16 4.836 36.675 126.098 1.00 0.63 C ATOM 130 CG GLU A 16 4.117 37.077 127.435 1.00 0.63 C ATOM 131 CD GLU A 16 3.307 36.010 128.202 1.00 0.63 C ATOM 132 OE1 GLU A 16 2.918 34.964 127.642 1.00 0.63 O ATOM 133 OE2 GLU A 16 3.131 36.262 129.431 1.00 0.63 O ATOM 134 N CYS A 17 7.328 35.552 124.192 1.00 0.66 N ATOM 135 CA CYS A 17 7.699 35.328 122.794 1.00 0.66 C ATOM 136 C CYS A 17 9.034 34.633 122.559 1.00 0.66 C ATOM 137 O CYS A 17 9.314 34.236 121.439 1.00 0.66 O ATOM 138 CB CYS A 17 7.850 36.663 122.009 1.00 0.66 C ATOM 139 SG CYS A 17 6.312 37.613 121.804 1.00 0.66 S ATOM 140 N MET A 18 9.924 34.485 123.565 1.00 0.60 N ATOM 141 CA MET A 18 11.162 33.745 123.353 1.00 0.60 C ATOM 142 C MET A 18 11.210 32.433 124.122 1.00 0.60 C ATOM 143 O MET A 18 11.851 31.482 123.687 1.00 0.60 O ATOM 144 CB MET A 18 12.389 34.597 123.750 1.00 0.60 C ATOM 145 CG MET A 18 12.595 35.847 122.867 1.00 0.60 C ATOM 146 SD MET A 18 12.838 35.529 121.085 1.00 0.60 S ATOM 147 CE MET A 18 14.403 34.615 121.213 1.00 0.60 C ATOM 148 N GLU A 19 10.516 32.338 125.271 1.00 0.58 N ATOM 149 CA GLU A 19 10.364 31.115 126.034 1.00 0.58 C ATOM 150 C GLU A 19 9.114 30.343 125.634 1.00 0.58 C ATOM 151 O GLU A 19 9.002 29.150 125.907 1.00 0.58 O ATOM 152 CB GLU A 19 10.225 31.451 127.538 1.00 0.58 C ATOM 153 CG GLU A 19 11.475 32.079 128.200 1.00 0.58 C ATOM 154 CD GLU A 19 11.222 32.440 129.667 1.00 0.58 C ATOM 155 OE1 GLU A 19 10.066 32.276 130.140 1.00 0.58 O ATOM 156 OE2 GLU A 19 12.185 32.889 130.331 1.00 0.58 O ATOM 157 N GLU A 20 8.176 31.004 124.933 1.00 0.59 N ATOM 158 CA GLU A 20 6.943 30.423 124.462 1.00 0.59 C ATOM 159 C GLU A 20 6.694 31.018 123.091 1.00 0.59 C ATOM 160 O GLU A 20 7.246 32.060 122.746 1.00 0.59 O ATOM 161 CB GLU A 20 5.751 30.755 125.406 1.00 0.59 C ATOM 162 CG GLU A 20 4.393 30.099 125.040 1.00 0.59 C ATOM 163 CD GLU A 20 4.515 28.586 124.918 1.00 0.59 C ATOM 164 OE1 GLU A 20 4.966 28.128 123.832 1.00 0.59 O ATOM 165 OE2 GLU A 20 4.154 27.876 125.891 1.00 0.59 O ATOM 166 N THR A 21 5.890 30.348 122.246 1.00 0.66 N ATOM 167 CA THR A 21 5.362 30.910 121.002 1.00 0.66 C ATOM 168 C THR A 21 4.401 32.070 121.245 1.00 0.66 C ATOM 169 O THR A 21 3.653 32.071 122.214 1.00 0.66 O ATOM 170 CB THR A 21 4.744 29.897 120.032 1.00 0.66 C ATOM 171 OG1 THR A 21 3.525 29.314 120.472 1.00 0.66 O ATOM 172 CG2 THR A 21 5.745 28.757 119.823 1.00 0.66 C ATOM 173 N CYS A 22 4.354 33.112 120.376 1.00 0.69 N ATOM 174 CA CYS A 22 3.507 34.263 120.667 1.00 0.69 C ATOM 175 C CYS A 22 2.807 34.744 119.423 1.00 0.69 C ATOM 176 O CYS A 22 3.254 34.504 118.301 1.00 0.69 O ATOM 177 CB CYS A 22 4.223 35.457 121.383 1.00 0.69 C ATOM 178 SG CYS A 22 5.317 36.536 120.395 1.00 0.69 S ATOM 179 N SER A 23 1.669 35.437 119.609 1.00 0.73 N ATOM 180 CA SER A 23 0.970 36.195 118.586 1.00 0.73 C ATOM 181 C SER A 23 1.623 37.545 118.312 1.00 0.73 C ATOM 182 O SER A 23 2.498 38.009 119.033 1.00 0.73 O ATOM 183 CB SER A 23 -0.576 36.287 118.811 1.00 0.73 C ATOM 184 OG SER A 23 -1.030 37.379 119.611 1.00 0.73 O ATOM 185 N TYR A 24 1.228 38.218 117.202 1.00 0.71 N ATOM 186 CA TYR A 24 1.659 39.576 116.893 1.00 0.71 C ATOM 187 C TYR A 24 1.175 40.589 117.927 1.00 0.71 C ATOM 188 O TYR A 24 1.892 41.528 118.252 1.00 0.71 O ATOM 189 CB TYR A 24 1.286 40.015 115.440 1.00 0.71 C ATOM 190 CG TYR A 24 -0.180 40.348 115.281 1.00 0.71 C ATOM 191 CD1 TYR A 24 -1.141 39.363 114.995 1.00 0.71 C ATOM 192 CD2 TYR A 24 -0.613 41.661 115.544 1.00 0.71 C ATOM 193 CE1 TYR A 24 -2.506 39.692 114.972 1.00 0.71 C ATOM 194 CE2 TYR A 24 -1.976 41.977 115.557 1.00 0.71 C ATOM 195 CZ TYR A 24 -2.922 40.997 115.249 1.00 0.71 C ATOM 196 OH TYR A 24 -4.294 41.316 115.242 1.00 0.71 O ATOM 197 N GLU A 25 -0.068 40.410 118.442 1.00 0.69 N ATOM 198 CA GLU A 25 -0.647 41.207 119.505 1.00 0.69 C ATOM 199 C GLU A 25 0.102 41.022 120.809 1.00 0.69 C ATOM 200 O GLU A 25 0.489 42.001 121.433 1.00 0.69 O ATOM 201 CB GLU A 25 -2.168 40.944 119.691 1.00 0.69 C ATOM 202 CG GLU A 25 -2.829 41.825 120.764 1.00 0.69 C ATOM 203 CD GLU A 25 -2.752 43.289 120.420 1.00 0.69 C ATOM 204 OE1 GLU A 25 -3.200 44.053 121.308 1.00 0.69 O ATOM 205 OE2 GLU A 25 -2.275 43.730 119.337 1.00 0.69 O ATOM 206 N GLU A 26 0.442 39.764 121.198 1.00 0.68 N ATOM 207 CA GLU A 26 1.298 39.523 122.360 1.00 0.68 C ATOM 208 C GLU A 26 2.652 40.234 122.181 1.00 0.68 C ATOM 209 O GLU A 26 3.080 41.012 123.024 1.00 0.68 O ATOM 210 CB GLU A 26 1.509 37.997 122.657 1.00 0.68 C ATOM 211 CG GLU A 26 0.239 37.217 123.142 1.00 0.68 C ATOM 212 CD GLU A 26 0.310 35.676 123.136 1.00 0.68 C ATOM 213 OE1 GLU A 26 -0.074 34.996 124.125 1.00 0.68 O ATOM 214 OE2 GLU A 26 0.663 35.143 122.051 1.00 0.68 O ATOM 215 N ALA A 27 3.309 40.108 121.003 1.00 0.74 N ATOM 216 CA ALA A 27 4.493 40.889 120.677 1.00 0.74 C ATOM 217 C ALA A 27 4.300 42.405 120.736 1.00 0.74 C ATOM 218 O ALA A 27 5.141 43.120 121.256 1.00 0.74 O ATOM 219 CB ALA A 27 5.119 40.465 119.328 1.00 0.74 C ATOM 220 N ARG A 28 3.173 42.948 120.264 1.00 0.65 N ATOM 221 CA ARG A 28 2.830 44.342 120.420 1.00 0.65 C ATOM 222 C ARG A 28 2.643 44.823 121.862 1.00 0.65 C ATOM 223 O ARG A 28 3.062 45.921 122.200 1.00 0.65 O ATOM 224 CB ARG A 28 1.558 44.623 119.607 1.00 0.65 C ATOM 225 CG ARG A 28 1.208 46.114 119.517 1.00 0.65 C ATOM 226 CD ARG A 28 -0.136 46.334 118.825 1.00 0.65 C ATOM 227 NE ARG A 28 -1.223 46.090 119.817 1.00 0.65 N ATOM 228 CZ ARG A 28 -1.650 46.946 120.755 1.00 0.65 C ATOM 229 NH1 ARG A 28 -2.568 46.564 121.631 1.00 0.65 N ATOM 230 NH2 ARG A 28 -1.138 48.165 120.857 1.00 0.65 N ATOM 231 N GLU A 29 2.001 44.026 122.736 1.00 0.67 N ATOM 232 CA GLU A 29 1.865 44.272 124.166 1.00 0.67 C ATOM 233 C GLU A 29 3.151 44.254 124.986 1.00 0.67 C ATOM 234 O GLU A 29 3.282 44.967 125.978 1.00 0.67 O ATOM 235 CB GLU A 29 0.943 43.219 124.789 1.00 0.67 C ATOM 236 CG GLU A 29 -0.529 43.288 124.330 1.00 0.67 C ATOM 237 CD GLU A 29 -1.328 42.161 124.981 1.00 0.67 C ATOM 238 OE1 GLU A 29 -0.691 41.286 125.626 1.00 0.67 O ATOM 239 OE2 GLU A 29 -2.576 42.189 124.859 1.00 0.67 O ATOM 240 N VAL A 30 4.123 43.391 124.626 1.00 0.65 N ATOM 241 CA VAL A 30 5.408 43.318 125.309 1.00 0.65 C ATOM 242 C VAL A 30 6.439 44.339 124.810 1.00 0.65 C ATOM 243 O VAL A 30 7.493 44.507 125.423 1.00 0.65 O ATOM 244 CB VAL A 30 6.058 41.929 125.228 1.00 0.65 C ATOM 245 CG1 VAL A 30 5.140 40.733 125.537 1.00 0.65 C ATOM 246 CG2 VAL A 30 6.513 41.686 123.795 1.00 0.65 C ATOM 247 N PHE A 31 6.167 45.018 123.673 1.00 0.66 N ATOM 248 CA PHE A 31 6.994 46.072 123.112 1.00 0.66 C ATOM 249 C PHE A 31 6.323 47.421 123.222 1.00 0.66 C ATOM 250 O PHE A 31 5.116 47.565 123.351 1.00 0.66 O ATOM 251 CB PHE A 31 7.293 45.890 121.603 1.00 0.66 C ATOM 252 CG PHE A 31 8.335 44.849 121.360 1.00 0.66 C ATOM 253 CD1 PHE A 31 9.638 44.942 121.886 1.00 0.66 C ATOM 254 CD2 PHE A 31 8.035 43.803 120.488 1.00 0.66 C ATOM 255 CE1 PHE A 31 10.642 44.077 121.433 1.00 0.66 C ATOM 256 CE2 PHE A 31 8.978 42.845 120.169 1.00 0.66 C ATOM 257 CZ PHE A 31 10.298 43.024 120.582 1.00 0.66 C ATOM 258 N GLU A 32 7.152 48.475 123.111 1.00 0.65 N ATOM 259 CA GLU A 32 6.732 49.828 123.375 1.00 0.65 C ATOM 260 C GLU A 32 6.433 50.637 122.113 1.00 0.65 C ATOM 261 O GLU A 32 6.216 51.839 122.197 1.00 0.65 O ATOM 262 CB GLU A 32 7.831 50.566 124.185 1.00 0.65 C ATOM 263 CG GLU A 32 8.102 49.969 125.592 1.00 0.65 C ATOM 264 CD GLU A 32 6.871 50.077 126.500 1.00 0.65 C ATOM 265 OE1 GLU A 32 6.178 51.121 126.412 1.00 0.65 O ATOM 266 OE2 GLU A 32 6.651 49.138 127.302 1.00 0.65 O ATOM 267 N ASP A 33 6.433 50.035 120.896 1.00 0.75 N ATOM 268 CA ASP A 33 6.138 50.802 119.699 1.00 0.75 C ATOM 269 C ASP A 33 5.734 49.857 118.551 1.00 0.75 C ATOM 270 O ASP A 33 6.117 48.688 118.536 1.00 0.75 O ATOM 271 CB ASP A 33 7.307 51.736 119.265 1.00 0.75 C ATOM 272 CG ASP A 33 6.709 52.787 118.345 1.00 0.75 C ATOM 273 OD1 ASP A 33 6.608 52.481 117.133 1.00 0.75 O ATOM 274 OD2 ASP A 33 6.236 53.825 118.861 1.00 0.75 O ATOM 275 N SER A 34 4.985 50.366 117.544 1.00 0.75 N ATOM 276 CA SER A 34 4.698 49.739 116.253 1.00 0.75 C ATOM 277 C SER A 34 5.944 49.449 115.422 1.00 0.75 C ATOM 278 O SER A 34 6.034 48.397 114.792 1.00 0.75 O ATOM 279 CB SER A 34 3.756 50.576 115.340 1.00 0.75 C ATOM 280 OG SER A 34 2.432 50.678 115.874 1.00 0.75 O ATOM 281 N ASP A 35 6.947 50.352 115.408 1.00 0.79 N ATOM 282 CA ASP A 35 8.206 50.178 114.694 1.00 0.79 C ATOM 283 C ASP A 35 8.987 48.958 115.184 1.00 0.79 C ATOM 284 O ASP A 35 9.397 48.090 114.412 1.00 0.79 O ATOM 285 CB ASP A 35 9.086 51.440 114.893 1.00 0.79 C ATOM 286 CG ASP A 35 8.628 52.610 114.027 1.00 0.79 C ATOM 287 OD1 ASP A 35 7.737 52.415 113.158 1.00 0.79 O ATOM 288 OD2 ASP A 35 9.236 53.699 114.191 1.00 0.79 O ATOM 289 N LYS A 36 9.114 48.842 116.525 1.00 0.73 N ATOM 290 CA LYS A 36 9.717 47.716 117.223 1.00 0.73 C ATOM 291 C LYS A 36 8.957 46.419 116.995 1.00 0.73 C ATOM 292 O LYS A 36 9.554 45.372 116.753 1.00 0.73 O ATOM 293 CB LYS A 36 9.830 47.982 118.747 1.00 0.73 C ATOM 294 CG LYS A 36 10.846 49.080 119.098 1.00 0.73 C ATOM 295 CD LYS A 36 10.947 49.308 120.618 1.00 0.73 C ATOM 296 CE LYS A 36 11.966 50.388 121.001 1.00 0.73 C ATOM 297 NZ LYS A 36 11.976 50.604 122.468 1.00 0.73 N ATOM 298 N THR A 37 7.608 46.464 117.038 1.00 0.78 N ATOM 299 CA THR A 37 6.754 45.314 116.728 1.00 0.78 C ATOM 300 C THR A 37 6.908 44.824 115.301 1.00 0.78 C ATOM 301 O THR A 37 7.081 43.629 115.071 1.00 0.78 O ATOM 302 CB THR A 37 5.272 45.574 116.963 1.00 0.78 C ATOM 303 OG1 THR A 37 5.081 45.987 118.304 1.00 0.78 O ATOM 304 CG2 THR A 37 4.423 44.301 116.803 1.00 0.78 C ATOM 305 N ASN A 38 6.904 45.736 114.297 1.00 0.76 N ATOM 306 CA ASN A 38 7.114 45.388 112.897 1.00 0.76 C ATOM 307 C ASN A 38 8.471 44.767 112.664 1.00 0.76 C ATOM 308 O ASN A 38 8.592 43.735 112.007 1.00 0.76 O ATOM 309 CB ASN A 38 7.066 46.621 111.959 1.00 0.76 C ATOM 310 CG ASN A 38 5.653 47.173 111.842 1.00 0.76 C ATOM 311 OD1 ASN A 38 4.655 46.527 112.158 1.00 0.76 O ATOM 312 ND2 ASN A 38 5.558 48.416 111.315 1.00 0.76 N ATOM 313 N GLU A 39 9.528 45.376 113.238 1.00 0.76 N ATOM 314 CA GLU A 39 10.861 44.827 113.165 1.00 0.76 C ATOM 315 C GLU A 39 10.956 43.451 113.806 1.00 0.76 C ATOM 316 O GLU A 39 11.357 42.490 113.154 1.00 0.76 O ATOM 317 CB GLU A 39 11.888 45.772 113.829 1.00 0.76 C ATOM 318 CG GLU A 39 13.337 45.227 113.740 1.00 0.76 C ATOM 319 CD GLU A 39 14.397 46.033 114.494 1.00 0.76 C ATOM 320 OE1 GLU A 39 14.080 47.126 115.020 1.00 0.76 O ATOM 321 OE2 GLU A 39 15.534 45.486 114.586 1.00 0.76 O ATOM 322 N PHE A 40 10.507 43.284 115.070 1.00 0.76 N ATOM 323 CA PHE A 40 10.561 42.002 115.743 1.00 0.76 C ATOM 324 C PHE A 40 9.767 40.925 115.029 1.00 0.76 C ATOM 325 O PHE A 40 10.283 39.835 114.820 1.00 0.76 O ATOM 326 CB PHE A 40 10.071 42.106 117.205 1.00 0.76 C ATOM 327 CG PHE A 40 10.058 40.755 117.905 1.00 0.76 C ATOM 328 CD1 PHE A 40 11.234 40.187 118.415 1.00 0.76 C ATOM 329 CD2 PHE A 40 8.850 40.038 118.022 1.00 0.76 C ATOM 330 CE1 PHE A 40 11.203 38.937 119.049 1.00 0.76 C ATOM 331 CE2 PHE A 40 8.811 38.806 118.682 1.00 0.76 C ATOM 332 CZ PHE A 40 9.991 38.250 119.188 1.00 0.76 C ATOM 333 N TRP A 41 8.515 41.209 114.619 1.00 0.70 N ATOM 334 CA TRP A 41 7.642 40.223 114.019 1.00 0.70 C ATOM 335 C TRP A 41 8.205 39.659 112.728 1.00 0.70 C ATOM 336 O TRP A 41 8.168 38.451 112.518 1.00 0.70 O ATOM 337 CB TRP A 41 6.216 40.787 113.820 1.00 0.70 C ATOM 338 CG TRP A 41 5.176 39.730 113.485 1.00 0.70 C ATOM 339 CD1 TRP A 41 4.608 39.433 112.280 1.00 0.70 C ATOM 340 CD2 TRP A 41 4.711 38.733 114.408 1.00 0.70 C ATOM 341 NE1 TRP A 41 3.774 38.340 112.398 1.00 0.70 N ATOM 342 CE2 TRP A 41 3.837 37.885 113.695 1.00 0.70 C ATOM 343 CE3 TRP A 41 5.004 38.504 115.748 1.00 0.70 C ATOM 344 CZ2 TRP A 41 3.241 36.792 114.313 1.00 0.70 C ATOM 345 CZ3 TRP A 41 4.428 37.385 116.359 1.00 0.70 C ATOM 346 CH2 TRP A 41 3.576 36.531 115.647 1.00 0.70 C ATOM 347 N ASN A 42 8.809 40.522 111.876 1.00 0.75 N ATOM 348 CA ASN A 42 9.513 40.083 110.680 1.00 0.75 C ATOM 349 C ASN A 42 10.638 39.109 111.031 1.00 0.75 C ATOM 350 O ASN A 42 10.694 37.998 110.532 1.00 0.75 O ATOM 351 CB ASN A 42 10.079 41.304 109.901 1.00 0.75 C ATOM 352 CG ASN A 42 8.929 42.124 109.323 1.00 0.75 C ATOM 353 OD1 ASN A 42 7.793 41.674 109.179 1.00 0.75 O ATOM 354 ND2 ASN A 42 9.220 43.396 108.956 1.00 0.75 N ATOM 355 N LYS A 43 11.504 39.465 112.004 1.00 0.72 N ATOM 356 CA LYS A 43 12.594 38.598 112.421 1.00 0.72 C ATOM 357 C LYS A 43 12.150 37.295 113.058 1.00 0.72 C ATOM 358 O LYS A 43 12.755 36.246 112.864 1.00 0.72 O ATOM 359 CB LYS A 43 13.507 39.302 113.449 1.00 0.72 C ATOM 360 CG LYS A 43 14.046 40.653 112.971 1.00 0.72 C ATOM 361 CD LYS A 43 14.748 41.445 114.080 1.00 0.72 C ATOM 362 CE LYS A 43 16.128 40.886 114.400 1.00 0.72 C ATOM 363 NZ LYS A 43 16.821 41.792 115.338 1.00 0.72 N ATOM 364 N TYR A 44 11.091 37.368 113.880 1.00 0.70 N ATOM 365 CA TYR A 44 10.493 36.253 114.565 1.00 0.70 C ATOM 366 C TYR A 44 9.918 35.211 113.606 1.00 0.70 C ATOM 367 O TYR A 44 10.290 34.046 113.672 1.00 0.70 O ATOM 368 CB TYR A 44 9.422 36.857 115.507 1.00 0.70 C ATOM 369 CG TYR A 44 8.881 35.878 116.489 1.00 0.70 C ATOM 370 CD1 TYR A 44 9.734 35.111 117.296 1.00 0.70 C ATOM 371 CD2 TYR A 44 7.494 35.750 116.634 1.00 0.70 C ATOM 372 CE1 TYR A 44 9.201 34.220 118.231 1.00 0.70 C ATOM 373 CE2 TYR A 44 6.958 34.880 117.590 1.00 0.70 C ATOM 374 CZ TYR A 44 7.820 34.117 118.383 1.00 0.70 C ATOM 375 OH TYR A 44 7.316 33.240 119.347 1.00 0.70 O ATOM 376 N LYS A 45 9.091 35.636 112.624 1.00 0.69 N ATOM 377 CA LYS A 45 8.489 34.749 111.637 1.00 0.69 C ATOM 378 C LYS A 45 9.465 34.151 110.639 1.00 0.69 C ATOM 379 O LYS A 45 9.267 33.049 110.128 1.00 0.69 O ATOM 380 CB LYS A 45 7.375 35.485 110.850 1.00 0.69 C ATOM 381 CG LYS A 45 6.148 35.867 111.695 1.00 0.69 C ATOM 382 CD LYS A 45 5.428 34.650 112.304 1.00 0.69 C ATOM 383 CE LYS A 45 4.735 33.745 111.282 1.00 0.69 C ATOM 384 NZ LYS A 45 4.485 32.419 111.881 1.00 0.69 N ATOM 385 N ASP A 46 10.573 34.859 110.366 1.00 0.61 N ATOM 386 CA ASP A 46 11.642 34.386 109.513 1.00 0.61 C ATOM 387 C ASP A 46 12.512 33.338 110.232 1.00 0.61 C ATOM 388 O ASP A 46 13.340 32.658 109.623 1.00 0.61 O ATOM 389 CB ASP A 46 12.476 35.604 109.019 1.00 0.61 C ATOM 390 CG ASP A 46 11.817 36.354 107.859 1.00 0.61 C ATOM 391 OD1 ASP A 46 10.905 35.795 107.197 1.00 0.61 O ATOM 392 OD2 ASP A 46 12.280 37.496 107.593 1.00 0.61 O ATOM 393 N GLY A 47 12.336 33.169 111.567 1.00 0.57 N ATOM 394 CA GLY A 47 13.073 32.221 112.392 1.00 0.57 C ATOM 395 C GLY A 47 12.306 30.983 112.839 1.00 0.57 C ATOM 396 O GLY A 47 12.872 30.176 113.572 1.00 0.57 O ATOM 397 N ASP A 48 11.030 30.770 112.398 1.00 0.46 N ATOM 398 CA ASP A 48 10.132 29.678 112.820 1.00 0.46 C ATOM 399 C ASP A 48 10.800 28.274 112.667 1.00 0.46 C ATOM 400 O ASP A 48 10.614 27.368 113.474 1.00 0.46 O ATOM 401 CB ASP A 48 8.723 29.705 112.071 1.00 0.46 C ATOM 402 CG ASP A 48 7.716 30.853 112.341 1.00 0.46 C ATOM 403 OD1 ASP A 48 8.035 31.832 113.038 1.00 0.46 O ATOM 404 OD2 ASP A 48 6.560 30.776 111.813 1.00 0.46 O ATOM 405 N GLN A 49 11.669 28.065 111.641 1.00 0.41 N ATOM 406 CA GLN A 49 12.408 26.816 111.411 1.00 0.41 C ATOM 407 C GLN A 49 13.630 26.590 112.332 1.00 0.41 C ATOM 408 O GLN A 49 14.346 25.603 112.182 1.00 0.41 O ATOM 409 CB GLN A 49 12.908 26.734 109.932 1.00 0.41 C ATOM 410 CG GLN A 49 11.795 26.722 108.854 1.00 0.41 C ATOM 411 CD GLN A 49 10.890 25.502 109.028 1.00 0.41 C ATOM 412 OE1 GLN A 49 11.346 24.360 109.064 1.00 0.41 O ATOM 413 NE2 GLN A 49 9.561 25.728 109.136 1.00 0.41 N ATOM 414 N CYS A 50 13.887 27.488 113.308 1.00 0.40 N ATOM 415 CA CYS A 50 15.079 27.516 114.144 1.00 0.40 C ATOM 416 C CYS A 50 14.715 28.018 115.552 1.00 0.40 C ATOM 417 O CYS A 50 15.489 28.732 116.184 1.00 0.40 O ATOM 418 CB CYS A 50 16.183 28.470 113.572 1.00 0.40 C ATOM 419 SG CYS A 50 16.860 28.048 111.927 1.00 0.40 S ATOM 420 N GLU A 51 13.510 27.681 116.080 1.00 0.43 N ATOM 421 CA GLU A 51 13.109 27.996 117.452 1.00 0.43 C ATOM 422 C GLU A 51 13.694 27.055 118.515 1.00 0.43 C ATOM 423 O GLU A 51 13.629 27.342 119.710 1.00 0.43 O ATOM 424 CB GLU A 51 11.569 27.983 117.612 1.00 0.43 C ATOM 425 CG GLU A 51 10.832 29.109 116.845 1.00 0.43 C ATOM 426 CD GLU A 51 9.323 29.062 117.109 1.00 0.43 C ATOM 427 OE1 GLU A 51 8.859 28.073 117.738 1.00 0.43 O ATOM 428 OE2 GLU A 51 8.617 30.013 116.693 1.00 0.43 O ATOM 429 N THR A 52 14.265 25.905 118.112 1.00 0.39 N ATOM 430 CA THR A 52 14.821 24.892 118.997 1.00 0.39 C ATOM 431 C THR A 52 16.216 24.455 118.500 1.00 0.39 C ATOM 432 O THR A 52 16.618 24.878 117.382 1.00 0.39 O ATOM 433 CB THR A 52 13.959 23.630 119.155 1.00 0.39 C ATOM 434 OG1 THR A 52 13.535 23.027 117.934 1.00 0.39 O ATOM 435 CG2 THR A 52 12.672 24.020 119.883 1.00 0.39 C ATOM 436 OXT THR A 52 16.896 23.693 119.245 1.00 0.39 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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