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*** ***elNémo ID: 240504015825238913Job options:ID = 240504015825238913 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:REMARK BIOVIA PDB file REMARK Created: 2022-05-17T11:57:45Z CRYST1 41.713 41.713 66.808 90.00 90.00 120.00 P62 ATOM 1 N ALA A 1 -28.981 0.185 -22.953 1.00 34.99 N1+ ATOM 2 CA ALA A 1 -29.874 0.906 -22.053 1.00 30.57 C ATOM 3 C ALA A 1 -29.805 0.284 -20.678 1.00 33.90 C ATOM 4 O ALA A 1 -29.556 0.970 -19.677 1.00 36.06 O ATOM 5 CB ALA A 1 -31.302 0.885 -22.568 1.00 18.16 C ATOM 6 N GLU A 2 -30.034 -1.031 -20.634 1.00 34.01 N ATOM 7 CA GLU A 2 -30.052 -1.733 -19.355 1.00 31.67 C ATOM 8 C GLU A 2 -28.749 -1.526 -18.604 1.00 30.43 C ATOM 9 O GLU A 2 -28.750 -1.373 -17.377 1.00 35.84 O ATOM 10 CB GLU A 2 -30.316 -3.223 -19.568 1.00 33.59 C ATOM 11 CG GLU A 2 -31.793 -3.593 -19.751 1.00 37.60 C ATOM 12 CD GLU A 2 -32.313 -3.363 -21.169 1.00 44.36 C ATOM 13 OE1 GLU A 2 -33.540 -3.123 -21.326 1.00 41.96 O ATOM 14 OE2 GLU A 2 -31.496 -3.432 -22.125 1.00 42.98 O ATOM 15 N ALA A 3 -27.631 -1.495 -19.330 1.00 30.37 N ATOM 16 CA ALA A 3 -26.333 -1.276 -18.705 1.00 29.75 C ATOM 17 C ALA A 3 -26.297 0.060 -17.988 1.00 27.89 C ATOM 18 O ALA A 3 -25.873 0.153 -16.833 1.00 28.23 O ATOM 19 CB ALA A 3 -25.233 -1.338 -19.761 1.00 26.75 C ATOM 20 N GLU A 4 -26.738 1.109 -18.667 1.00 29.19 N ATOM 21 CA GLU A 4 -26.749 2.437 -18.085 1.00 27.52 C ATOM 22 C GLU A 4 -27.816 2.555 -17.011 1.00 31.87 C ATOM 23 O GLU A 4 -27.733 3.446 -16.160 1.00 31.64 O ATOM 24 CB GLU A 4 -26.940 3.452 -19.216 1.00 31.49 C ATOM 25 CG GLU A 4 -26.332 2.921 -20.535 1.00 31.51 C ATOM 26 CD GLU A 4 -26.265 3.929 -21.667 1.00 37.29 C ATOM 27 OE1 GLU A 4 -25.583 4.970 -21.527 1.00 37.91 O ATOM 28 OE2 GLU A 4 -26.882 3.660 -22.720 1.00 41.79 O ATOM 29 N SER A 5 -28.793 1.649 -17.011 1.00 33.68 N ATOM 30 CA SER A 5 -29.822 1.654 -15.984 1.00 25.14 C ATOM 31 C SER A 5 -29.368 0.921 -14.737 1.00 29.50 C ATOM 32 O SER A 5 -29.811 1.252 -13.629 1.00 31.17 O ATOM 33 CB SER A 5 -31.094 1.011 -16.521 1.00 29.97 C ATOM 34 OG SER A 5 -31.498 1.640 -17.720 1.00 35.47 O ATOM 35 N ALA A 6 -28.507 -0.085 -14.895 1.00 30.24 N ATOM 36 CA ALA A 6 -27.951 -0.758 -13.726 1.00 26.32 C ATOM 37 C ALA A 6 -26.980 0.152 -12.992 1.00 25.93 C ATOM 38 O ALA A 6 -27.018 0.246 -11.761 1.00 28.55 O ATOM 39 CB ALA A 6 -27.260 -2.053 -14.140 1.00 25.63 C ATOM 40 N LEU A 7 -26.116 0.843 -13.736 1.00 24.24 N ATOM 41 CA LEU A 7 -25.146 1.733 -13.111 1.00 26.34 C ATOM 42 C LEU A 7 -25.832 2.873 -12.385 1.00 25.85 C ATOM 43 O LEU A 7 -25.342 3.356 -11.360 1.00 28.28 O ATOM 44 CB LEU A 7 -24.190 2.278 -14.163 1.00 24.68 C ATOM 45 CG LEU A 7 -23.318 1.207 -14.813 1.00 26.50 C ATOM 46 CD1 LEU A 7 -22.118 1.832 -15.506 1.00 22.42 C ATOM 47 CD2 LEU A 7 -22.877 0.201 -13.770 1.00 21.51 C ATOM 48 N GLU A 8 -26.955 3.337 -12.917 1.00 26.44 N ATOM 49 CA GLU A 8 -27.747 4.323 -12.203 1.00 28.49 C ATOM 50 C GLU A 8 -28.299 3.733 -10.911 1.00 29.26 C ATOM 51 O GLU A 8 -28.156 4.318 -9.834 1.00 32.06 O ATOM 52 CB GLU A 8 -28.874 4.812 -13.103 1.00 32.07 C ATOM 53 CG GLU A 8 -29.894 5.686 -12.411 1.00 37.48 C ATOM 54 CD GLU A 8 -31.226 5.664 -13.130 1.00 44.90 C ATOM 55 OE1 GLU A 8 -31.535 4.623 -13.753 1.00 42.47 O ATOM 56 OE2 GLU A 8 -31.953 6.684 -13.085 1.00 51.16 O ATOM 57 N TYR A 9 -28.923 2.559 -11.003 1.00 27.70 N ATOM 58 CA TYR A 9 -29.452 1.900 -9.817 1.00 25.09 C ATOM 59 C TYR A 9 -28.345 1.591 -8.817 1.00 26.52 C ATOM 60 O TYR A 9 -28.498 1.829 -7.616 1.00 26.49 O ATOM 61 CB TYR A 9 -30.184 0.629 -10.241 1.00 26.37 C ATOM 62 CG TYR A 9 -30.706 -0.262 -9.134 1.00 27.03 C ATOM 63 CD1 TYR A 9 -29.873 -1.171 -8.482 1.00 26.94 C ATOM 64 CD2 TYR A 9 -32.047 -0.239 -8.778 1.00 28.54 C ATOM 65 CE1 TYR A 9 -30.360 -2.002 -7.490 1.00 24.82 C ATOM 66 CE2 TYR A 9 -32.541 -1.066 -7.784 1.00 27.50 C ATOM 67 CZ TYR A 9 -31.696 -1.945 -7.153 1.00 25.36 C ATOM 68 OH TYR A 9 -32.200 -2.763 -6.183 1.00 27.95 O ATOM 69 N ALA A 10 -27.222 1.055 -9.291 1.00 28.14 N ATOM 70 CA ALA A 10 -26.141 0.725 -8.372 1.00 24.54 C ATOM 71 C ALA A 10 -25.605 1.966 -7.691 1.00 25.19 C ATOM 72 O ALA A 10 -25.171 1.901 -6.538 1.00 26.50 O ATOM 73 CB ALA A 10 -25.015 -0.001 -9.104 1.00 24.44 C ATOM 74 N GLN A 11 -25.636 3.107 -8.374 1.00 26.03 N ATOM 75 CA GLN A 11 -25.242 4.347 -7.721 1.00 25.83 C ATOM 76 C GLN A 11 -26.234 4.714 -6.626 1.00 29.06 C ATOM 77 O GLN A 11 -25.836 5.050 -5.503 1.00 30.65 O ATOM 78 CB GLN A 11 -25.121 5.464 -8.748 1.00 28.95 C ATOM 79 CG GLN A 11 -24.428 6.694 -8.219 1.00 32.38 C ATOM 80 CD GLN A 11 -24.072 7.659 -9.325 1.00 40.80 C ATOM 81 OE1 GLN A 11 -24.743 8.679 -9.516 1.00 45.89 O ATOM 82 NE2 GLN A 11 -23.013 7.344 -10.065 1.00 36.22 N ATOM 83 N GLN A 12 -27.531 4.642 -6.936 1.00 26.52 N ATOM 84 CA GLN A 12 -28.569 4.765 -5.916 1.00 26.81 C ATOM 85 C GLN A 12 -28.235 3.928 -4.691 1.00 25.26 C ATOM 86 O GLN A 12 -28.112 4.450 -3.578 1.00 27.19 O ATOM 87 CB GLN A 12 -29.920 4.334 -6.493 1.00 29.52 C ATOM 88 CG GLN A 12 -31.010 4.134 -5.439 1.00 36.29 C ATOM 89 CD GLN A 12 -31.956 2.957 -5.729 1.00 34.12 C ATOM 90 OE1 GLN A 12 -31.654 1.795 -5.414 1.00 29.70 O ATOM 91 NE2 GLN A 12 -33.116 3.265 -6.304 1.00 28.55 N ATOM 92 N ALA A 13 -28.081 2.615 -4.890 1.00 26.83 N ATOM 93 CA ALA A 13 -27.765 1.713 -3.786 1.00 26.48 C ATOM 94 C ALA A 13 -26.544 2.183 -3.008 1.00 24.53 C ATOM 95 O ALA A 13 -26.549 2.182 -1.773 1.00 28.61 O ATOM 96 CB ALA A 13 -27.543 0.299 -4.319 1.00 24.86 C ATOM 97 N LEU A 14 -25.492 2.597 -3.715 1.00 23.95 N ATOM 98 CA LEU A 14 -24.287 3.075 -3.045 1.00 26.61 C ATOM 99 C LEU A 14 -24.563 4.304 -2.197 1.00 26.35 C ATOM 100 O LEU A 14 -24.046 4.423 -1.081 1.00 29.15 O ATOM 101 CB LEU A 14 -23.207 3.390 -4.070 1.00 28.92 C ATOM 102 CG LEU A 14 -22.576 2.169 -4.715 1.00 28.86 C ATOM 103 CD1 LEU A 14 -21.356 2.594 -5.525 1.00 24.49 C ATOM 104 CD2 LEU A 14 -22.218 1.168 -3.628 1.00 27.02 C ATOM 105 N GLU A 15 -25.371 5.233 -2.708 1.00 25.33 N ATOM 106 CA GLU A 15 -25.695 6.414 -1.919 1.00 26.35 C ATOM 107 C GLU A 15 -26.591 6.061 -0.737 1.00 27.52 C ATOM 108 O GLU A 15 -26.397 6.596 0.359 1.00 31.93 O ATOM 109 CB GLU A 15 -26.314 7.483 -2.818 1.00 27.88 C ATOM 110 CG GLU A 15 -25.438 7.748 -4.059 1.00 33.99 C ATOM 111 CD GLU A 15 -26.100 8.628 -5.103 1.00 38.02 C ATOM 112 OE1 GLU A 15 -25.379 9.414 -5.762 1.00 35.52 O ATOM 113 OE2 GLU A 15 -27.335 8.526 -5.249 1.00 34.87 O ATOM 114 N LYS A 16 -27.560 5.154 -0.925 1.00 27.98 N ATOM 115 CA LYS A 16 -28.317 4.652 0.222 1.00 24.65 C ATOM 116 C LYS A 16 -27.371 4.079 1.262 1.00 25.70 C ATOM 117 O LYS A 16 -27.518 4.333 2.462 1.00 24.55 O ATOM 118 CB LYS A 16 -29.336 3.579 -0.203 1.00 25.03 C ATOM 119 CG LYS A 16 -30.333 3.978 -1.311 1.00 29.64 C ATOM 120 CD LYS A 16 -31.524 2.982 -1.480 1.00 30.62 C ATOM 121 CE LYS A 16 -31.118 1.533 -1.858 1.00 33.12 C ATOM 122 NZ LYS A 16 -31.807 0.980 -3.100 1.00 29.78 N1+ ATOM 123 N ALA A 17 -26.377 3.314 0.811 1.00 26.27 N ATOM 124 CA ALA A 17 -25.446 2.685 1.736 1.00 24.52 C ATOM 125 C ALA A 17 -24.665 3.723 2.525 1.00 24.71 C ATOM 126 O ALA A 17 -24.458 3.567 3.734 1.00 26.26 O ATOM 127 CB ALA A 17 -24.494 1.769 0.971 1.00 26.81 C ATOM 128 N GLN A 18 -24.222 4.793 1.864 1.00 24.95 N ATOM 129 CA GLN A 18 -23.372 5.746 2.563 1.00 26.90 C ATOM 130 C GLN A 18 -24.141 6.517 3.625 1.00 25.55 C ATOM 131 O GLN A 18 -23.554 6.919 4.633 1.00 25.74 O ATOM 132 CB GLN A 18 -22.702 6.684 1.569 1.00 26.26 C ATOM 133 CG GLN A 18 -21.560 5.997 0.844 1.00 33.47 C ATOM 134 CD GLN A 18 -20.524 6.962 0.302 1.00 35.43 C ATOM 135 OE1 GLN A 18 -20.853 7.890 -0.439 1.00 35.19 O ATOM 136 NE2 GLN A 18 -19.262 6.755 0.681 1.00 31.10 N ATOM 137 N LEU A 19 -25.443 6.722 3.429 1.00 26.81 N ATOM 138 CA LEU A 19 -26.278 7.193 4.528 1.00 27.69 C ATOM 139 C LEU A 19 -26.130 6.281 5.730 1.00 25.12 C ATOM 140 O LEU A 19 -25.835 6.728 6.844 1.00 28.56 O ATOM 141 CB LEU A 19 -27.744 7.220 4.111 1.00 29.24 C ATOM 142 CG LEU A 19 -28.177 7.928 2.847 1.00 27.82 C ATOM 143 CD1 LEU A 19 -29.521 7.392 2.430 1.00 26.61 C ATOM 144 CD2 LEU A 19 -28.276 9.376 3.151 1.00 30.43 C ATOM 145 N ALA A 20 -26.342 4.983 5.505 1.00 25.73 N ATOM 146 CA ALA A 20 -26.319 4.009 6.587 1.00 27.19 C ATOM 147 C ALA A 20 -24.999 4.055 7.345 1.00 24.25 C ATOM 148 O ALA A 20 -24.979 3.979 8.578 1.00 29.32 O ATOM 149 CB ALA A 20 -26.578 2.612 6.016 1.00 26.68 C ATOM 150 N LEU A 21 -23.889 4.192 6.625 1.00 24.00 N ATOM 151 CA LEU A 21 -22.588 4.258 7.273 1.00 24.25 C ATOM 152 C LEU A 21 -22.494 5.451 8.200 1.00 26.53 C ATOM 153 O LEU A 21 -22.175 5.306 9.383 1.00 29.83 O ATOM 154 CB LEU A 21 -21.486 4.337 6.227 1.00 27.77 C ATOM 155 CG LEU A 21 -21.384 3.114 5.344 1.00 26.05 C ATOM 156 CD1 LEU A 21 -20.165 3.243 4.460 1.00 27.53 C ATOM 157 CD2 LEU A 21 -21.299 1.887 6.235 1.00 28.14 C ATOM 158 N GLN A 22 -22.753 6.648 7.673 1.00 26.18 N ATOM 159 CA GLN A 22 -22.539 7.843 8.474 1.00 27.93 C ATOM 160 C GLN A 22 -23.393 7.810 9.727 1.00 26.58 C ATOM 161 O GLN A 22 -22.933 8.191 10.806 1.00 31.08 O ATOM 162 CB GLN A 22 -22.823 9.096 7.651 1.00 26.33 C ATOM 163 CG GLN A 22 -21.982 9.190 6.393 1.00 35.53 C ATOM 164 CD GLN A 22 -20.497 8.934 6.627 1.00 38.05 C ATOM 165 OE1 GLN A 22 -19.846 8.235 5.840 1.00 44.48 O ATOM 166 NE2 GLN A 22 -19.950 9.517 7.686 1.00 35.27 N ATOM 167 N ALA A 23 -24.633 7.338 9.609 1.00 28.40 N ATOM 168 CA ALA A 23 -25.446 7.126 10.796 1.00 25.36 C ATOM 169 C ALA A 23 -24.752 6.158 11.739 1.00 25.79 C ATOM 170 O ALA A 23 -24.615 6.427 12.937 1.00 25.00 O ATOM 171 CB ALA A 23 -26.832 6.613 10.404 1.00 23.87 C ATOM 172 N ALA A 24 -24.272 5.037 11.204 1.00 24.43 N ATOM 173 CA ALA A 24 -23.570 4.076 12.045 1.00 25.78 C ATOM 174 C ALA A 24 -22.311 4.689 12.640 1.00 29.65 C ATOM 175 O ALA A 24 -21.992 4.457 13.814 1.00 32.09 O ATOM 176 CB ALA A 24 -23.233 2.822 11.244 1.00 23.50 C ATOM 177 N ARG A 25 -21.591 5.491 11.852 1.00 28.37 N ATOM 178 CA ARG A 25 -20.385 6.131 12.364 1.00 29.04 C ATOM 179 C ARG A 25 -20.705 7.044 13.538 1.00 28.98 C ATOM 180 O ARG A 25 -19.999 7.028 14.553 1.00 33.13 O ATOM 181 CB ARG A 25 -19.685 6.907 11.252 1.00 26.26 C ATOM 182 CG ARG A 25 -19.272 6.028 10.117 1.00 30.17 C ATOM 183 CD ARG A 25 -17.787 6.005 9.985 1.00 35.12 C ATOM 184 NE ARG A 25 -17.272 6.975 9.027 1.00 37.80 N ATOM 185 CZ ARG A 25 -16.079 7.545 9.148 1.00 39.87 C ATOM 186 NH1 ARG A 25 -15.323 7.248 10.195 1.00 32.46 N ATOM 187 NH2 ARG A 25 -15.647 8.411 8.237 1.00 39.60 N ATOM 188 N GLN A 26 -21.774 7.832 13.429 1.00 27.05 N ATOM 189 CA GLN A 26 -22.162 8.694 14.542 1.00 32.05 C ATOM 190 C GLN A 26 -22.550 7.871 15.766 1.00 33.19 C ATOM 191 O GLN A 26 -22.150 8.184 16.893 1.00 37.09 O ATOM 192 CB GLN A 26 -23.310 9.616 14.127 1.00 32.03 C ATOM 193 CG GLN A 26 -23.916 10.394 15.298 1.00 31.23 C ATOM 194 CD GLN A 26 -22.968 11.425 15.893 1.00 32.55 C ATOM 195 OE1 GLN A 26 -22.308 12.170 15.169 1.00 32.23 O ATOM 196 NE2 GLN A 26 -22.890 11.462 17.217 1.00 28.39 N ATOM 197 N ALA A 27 -23.327 6.807 15.562 1.00 30.13 N ATOM 198 CA ALA A 27 -23.713 5.970 16.688 1.00 29.87 C ATOM 199 C ALA A 27 -22.496 5.435 17.426 1.00 35.04 C ATOM 200 O ALA A 27 -22.539 5.274 18.649 1.00 45.11 O ATOM 201 CB ALA A 27 -24.598 4.825 16.208 1.00 25.64 C ATOM 202 N LEU A 28 -21.395 5.186 16.711 1.00 35.18 N ATOM 203 CA LEU A 28 -20.203 4.631 17.345 1.00 38.09 C ATOM 204 C LEU A 28 -19.657 5.542 18.430 1.00 41.51 C ATOM 205 O LEU A 28 -18.954 5.080 19.338 1.00 42.47 O ATOM 206 CB LEU A 28 -19.122 4.375 16.305 1.00 38.51 C ATOM 207 CG LEU A 28 -18.910 2.883 16.115 1.00 36.18 C ATOM 208 CD1 LEU A 28 -20.187 2.283 15.574 1.00 34.91 C ATOM 209 CD2 LEU A 28 -17.745 2.625 15.193 1.00 37.26 C ATOM 210 N LYS A 29 -19.943 6.836 18.335 1.00 44.34 N ATOM 211 CA LYS A 29 -19.596 7.763 19.403 1.00 41.97 C ATOM 212 C LYS A 29 -20.411 7.459 20.646 1.00 44.81 C ATOM 213 O LYS A 29 -19.863 7.103 21.697 1.00 50.40 O ATOM 214 CB LYS A 29 -19.837 9.192 18.918 1.00 42.81 C ATOM 215 CG LYS A 29 -19.305 9.492 17.497 1.00 36.01 C ATOM 216 CD LYS A 29 -17.776 9.449 17.402 1.00 37.82 C ATOM 217 CE LYS A 29 -17.214 8.041 17.198 1.00 44.94 C ATOM 218 NZ LYS A 29 -15.731 7.972 17.323 1.00 44.77 N1+ ATOM 219 N ALA A 30 -21.731 7.574 20.529 1.00 45.60 N ATOM 220 CA ALA A 30 -22.662 7.170 21.575 1.00 48.95 C ATOM 221 C ALA A 30 -22.309 7.799 22.910 1.00 46.41 C ATOM 222 O ALA A 30 -21.760 7.128 23.776 1.00 53.16 O ATOM 223 CB ALA A 30 -22.695 5.650 21.701 1.00 49.61 C TER 224 ALA A 30 ATOM 225 N ALA B 1 -14.090 0.619 18.292 1.00 31.35 N1+ ATOM 226 CA ALA B 1 -12.638 0.772 18.262 1.00 35.17 C ATOM 227 C ALA B 1 -12.105 0.201 16.967 1.00 35.63 C ATOM 228 O ALA B 1 -11.621 0.930 16.104 1.00 33.02 O ATOM 229 CB ALA B 1 -11.996 0.086 19.447 1.00 35.71 C ATOM 230 N GLU B 2 -12.190 -1.125 16.841 1.00 39.55 N ATOM 231 CA GLU B 2 -12.008 -1.752 15.535 1.00 30.43 C ATOM 232 C GLU B 2 -13.187 -1.450 14.631 1.00 28.77 C ATOM 233 O GLU B 2 -13.013 -1.187 13.437 1.00 33.54 O ATOM 234 CB GLU B 2 -11.842 -3.261 15.685 1.00 30.78 C ATOM 235 CG GLU B 2 -10.471 -3.714 16.145 1.00 36.95 C ATOM 236 CD GLU B 2 -10.123 -3.251 17.558 1.00 40.78 C ATOM 237 OE1 GLU B 2 -8.928 -3.345 17.923 1.00 39.30 O ATOM 238 OE2 GLU B 2 -11.032 -2.787 18.295 1.00 41.03 O ATOM 239 N ALA B 3 -14.397 -1.488 15.190 1.00 28.05 N ATOM 240 CA ALA B 3 -15.579 -1.088 14.446 1.00 28.05 C ATOM 241 C ALA B 3 -15.416 0.316 13.901 1.00 28.74 C ATOM 242 O ALA B 3 -15.912 0.632 12.815 1.00 33.10 O ATOM 243 CB ALA B 3 -16.815 -1.176 15.340 1.00 30.23 C ATOM 244 N GLU B 4 -14.722 1.174 14.646 1.00 32.93 N ATOM 245 CA GLU B 4 -14.368 2.489 14.131 1.00 32.76 C ATOM 246 C GLU B 4 -13.586 2.350 12.835 1.00 29.47 C ATOM 247 O GLU B 4 -14.046 2.765 11.766 1.00 30.90 O ATOM 248 CB GLU B 4 -13.563 3.259 15.182 1.00 30.17 C ATOM 249 CG GLU B 4 -13.886 4.738 15.271 1.00 34.75 C ATOM 250 CD GLU B 4 -14.994 5.057 16.276 1.00 43.37 C ATOM 251 OE1 GLU B 4 -14.798 4.836 17.493 1.00 44.43 O ATOM 252 OE2 GLU B 4 -16.063 5.539 15.848 1.00 46.05 O ATOM 253 N SER B 5 -12.416 1.714 12.911 1.00 29.35 N ATOM 254 CA SER B 5 -11.561 1.564 11.741 1.00 27.63 C ATOM 255 C SER B 5 -12.265 0.810 10.626 1.00 29.95 C ATOM 256 O SER B 5 -12.051 1.094 9.438 1.00 27.78 O ATOM 257 CB SER B 5 -10.270 0.849 12.134 1.00 30.00 C ATOM 258 OG SER B 5 -9.438 1.708 12.892 1.00 32.18 O ATOM 259 N ALA B 6 -13.106 -0.162 10.986 1.00 30.18 N ATOM 260 CA ALA B 6 -13.848 -0.894 9.966 1.00 29.28 C ATOM 261 C ALA B 6 -14.835 0.017 9.255 1.00 25.32 C ATOM 262 O ALA B 6 -14.944 -0.019 8.028 1.00 26.11 O ATOM 263 CB ALA B 6 -14.564 -2.087 10.588 1.00 25.78 C ATOM 264 N LEU B 7 -15.542 0.860 10.008 1.00 24.76 N ATOM 265 CA LEU B 7 -16.507 1.765 9.395 1.00 24.37 C ATOM 266 C LEU B 7 -15.823 2.822 8.558 1.00 25.71 C ATOM 267 O LEU B 7 -16.294 3.155 7.467 1.00 28.96 O ATOM 268 CB LEU B 7 -17.362 2.437 10.459 1.00 23.74 C ATOM 269 CG LEU B 7 -18.514 1.597 10.985 1.00 24.53 C ATOM 270 CD1 LEU B 7 -19.664 2.521 11.326 1.00 30.30 C ATOM 271 CD2 LEU B 7 -18.935 0.550 9.967 1.00 24.47 C ATOM 272 N GLU B 8 -14.734 3.390 9.063 1.00 26.72 N ATOM 273 CA GLU B 8 -14.009 4.370 8.272 1.00 27.85 C ATOM 274 C GLU B 8 -13.488 3.736 6.991 1.00 27.91 C ATOM 275 O GLU B 8 -13.671 4.278 5.896 1.00 31.91 O ATOM 276 CB GLU B 8 -12.873 4.968 9.099 1.00 31.73 C ATOM 277 CG GLU B 8 -12.230 6.192 8.466 1.00 37.15 C ATOM 278 CD GLU B 8 -11.218 6.866 9.380 1.00 42.76 C ATOM 279 OE1 GLU B 8 -10.474 7.748 8.889 1.00 46.47 O ATOM 280 OE2 GLU B 8 -11.170 6.513 10.583 1.00 33.31 O ATOM 281 N TYR B 9 -12.870 2.558 7.105 1.00 27.92 N ATOM 282 CA TYR B 9 -12.416 1.844 5.917 1.00 24.72 C ATOM 283 C TYR B 9 -13.547 1.673 4.917 1.00 24.57 C ATOM 284 O TYR B 9 -13.386 1.939 3.724 1.00 27.71 O ATOM 285 CB TYR B 9 -11.851 0.484 6.314 1.00 25.42 C ATOM 286 CG TYR B 9 -11.214 -0.289 5.179 1.00 26.89 C ATOM 287 CD1 TYR B 9 -9.924 0.003 4.755 1.00 26.93 C ATOM 288 CD2 TYR B 9 -11.892 -1.321 4.542 1.00 26.26 C ATOM 289 CE1 TYR B 9 -9.327 -0.701 3.725 1.00 27.42 C ATOM 290 CE2 TYR B 9 -11.300 -2.035 3.513 1.00 27.46 C ATOM 291 CZ TYR B 9 -10.017 -1.717 3.108 1.00 28.33 C ATOM 292 OH TYR B 9 -9.414 -2.416 2.092 1.00 28.39 O ATOM 293 N ALA B 10 -14.709 1.234 5.394 1.00 27.72 N ATOM 294 CA ALA B 10 -15.815 0.954 4.488 1.00 26.07 C ATOM 295 C ALA B 10 -16.248 2.208 3.749 1.00 26.82 C ATOM 296 O ALA B 10 -16.462 2.172 2.534 1.00 28.02 O ATOM 297 CB ALA B 10 -16.987 0.352 5.257 1.00 20.80 C ATOM 298 N GLN B 11 -16.368 3.331 4.460 1.00 25.77 N ATOM 299 CA GLN B 11 -16.806 4.564 3.812 1.00 25.51 C ATOM 300 C GLN B 11 -15.849 4.968 2.700 1.00 30.93 C ATOM 301 O GLN B 11 -16.279 5.376 1.614 1.00 34.42 O ATOM 302 CB GLN B 11 -16.926 5.682 4.841 1.00 29.82 C ATOM 303 CG GLN B 11 -17.136 7.051 4.227 1.00 35.04 C ATOM 304 CD GLN B 11 -16.777 8.183 5.179 1.00 40.13 C ATOM 305 OE1 GLN B 11 -17.002 8.087 6.389 1.00 42.36 O ATOM 306 NE2 GLN B 11 -16.206 9.261 4.636 1.00 36.61 N ATOM 307 N GLN B 12 -14.545 4.844 2.947 1.00 28.71 N ATOM 308 CA GLN B 12 -13.560 5.124 1.910 1.00 27.32 C ATOM 309 C GLN B 12 -13.768 4.234 0.699 1.00 25.37 C ATOM 310 O GLN B 12 -13.793 4.712 -0.438 1.00 29.50 O ATOM 311 CB GLN B 12 -12.153 4.922 2.455 1.00 24.20 C ATOM 312 CG GLN B 12 -11.792 5.842 3.574 1.00 27.12 C ATOM 313 CD GLN B 12 -10.427 5.534 4.131 1.00 35.30 C ATOM 314 OE1 GLN B 12 -9.651 4.787 3.527 1.00 42.73 O ATOM 315 NE2 GLN B 12 -10.122 6.098 5.292 1.00 33.69 N ATOM 316 N ALA B 13 -13.896 2.926 0.928 1.00 28.96 N ATOM 317 CA ALA B 13 -14.032 1.987 -0.180 1.00 27.33 C ATOM 318 C ALA B 13 -15.221 2.346 -1.060 1.00 25.83 C ATOM 319 O ALA B 13 -15.151 2.232 -2.290 1.00 28.71 O ATOM 320 CB ALA B 13 -14.161 0.561 0.358 1.00 23.37 C ATOM 321 N LEU B 14 -16.315 2.809 -0.454 1.00 27.95 N ATOM 322 CA LEU B 14 -17.482 3.180 -1.246 1.00 28.75 C ATOM 323 C LEU B 14 -17.203 4.389 -2.116 1.00 27.51 C ATOM 324 O LEU B 14 -17.692 4.467 -3.246 1.00 28.06 O ATOM 325 CB LEU B 14 -18.674 3.461 -0.346 1.00 29.48 C ATOM 326 CG LEU B 14 -19.333 2.213 0.217 1.00 32.30 C ATOM 327 CD1 LEU B 14 -20.786 2.525 0.530 1.00 34.60 C ATOM 328 CD2 LEU B 14 -19.212 1.044 -0.754 1.00 29.60 C ATOM 329 N GLU B 15 -16.431 5.346 -1.602 1.00 28.19 N ATOM 330 CA GLU B 15 -16.076 6.512 -2.401 1.00 27.76 C ATOM 331 C GLU B 15 -15.258 6.103 -3.619 1.00 30.51 C ATOM 332 O GLU B 15 -15.532 6.546 -4.745 1.00 29.29 O ATOM 333 CB GLU B 15 -15.333 7.523 -1.527 1.00 26.16 C ATOM 334 CG GLU B 15 -16.165 7.945 -0.328 1.00 32.17 C ATOM 335 CD GLU B 15 -15.536 9.047 0.501 1.00 41.38 C ATOM 336 OE1 GLU B 15 -14.368 9.397 0.224 1.00 42.07 O ATOM 337 OE2 GLU B 15 -16.213 9.558 1.433 1.00 41.26 O ATOM 338 N LYS B 16 -14.269 5.228 -3.418 1.00 30.74 N ATOM 339 CA LYS B 16 -13.534 4.680 -4.550 1.00 26.17 C ATOM 340 C LYS B 16 -14.467 3.907 -5.470 1.00 24.66 C ATOM 341 O LYS B 16 -14.335 3.965 -6.695 1.00 23.91 O ATOM 342 CB LYS B 16 -12.401 3.793 -4.041 1.00 26.80 C ATOM 343 CG LYS B 16 -11.395 4.524 -3.147 1.00 26.30 C ATOM 344 CD LYS B 16 -10.548 3.532 -2.347 1.00 30.95 C ATOM 345 CE LYS B 16 -9.291 4.159 -1.766 1.00 25.29 C ATOM 346 NZ LYS B 16 -8.107 3.850 -2.607 1.00 32.06 N1+ ATOM 347 N ALA B 17 -15.429 3.186 -4.897 1.00 25.58 N ATOM 348 CA ALA B 17 -16.431 2.540 -5.731 1.00 25.16 C ATOM 349 C ALA B 17 -17.296 3.574 -6.440 1.00 24.30 C ATOM 350 O ALA B 17 -17.681 3.383 -7.597 1.00 22.74 O ATOM 351 CB ALA B 17 -17.285 1.597 -4.888 1.00 23.90 C ATOM 352 N GLN B 18 -17.582 4.693 -5.776 1.00 24.59 N ATOM 353 CA GLN B 18 -18.445 5.704 -6.375 1.00 23.33 C ATOM 354 C GLN B 18 -17.759 6.425 -7.527 1.00 24.79 C ATOM 355 O GLN B 18 -18.318 6.528 -8.625 1.00 24.88 O ATOM 356 CB GLN B 18 -18.887 6.700 -5.315 1.00 26.00 C ATOM 357 CG GLN B 18 -20.022 6.199 -4.468 1.00 27.43 C ATOM 358 CD GLN B 18 -20.124 6.956 -3.172 1.00 32.23 C ATOM 359 OE1 GLN B 18 -19.123 7.146 -2.476 1.00 31.66 O ATOM 360 NE2 GLN B 18 -21.334 7.407 -2.837 1.00 35.34 N ATOM 361 N LEU B 19 -16.554 6.948 -7.300 1.00 27.86 N ATOM 362 CA LEU B 19 -15.915 7.763 -8.333 1.00 26.06 C ATOM 363 C LEU B 19 -15.569 6.933 -9.564 1.00 22.24 C ATOM 364 O LEU B 19 -15.654 7.421 -10.696 1.00 28.10 O ATOM 365 CB LEU B 19 -14.675 8.457 -7.760 1.00 25.67 C ATOM 366 CG LEU B 19 -13.447 7.665 -7.284 1.00 26.09 C ATOM 367 CD1 LEU B 19 -12.559 7.247 -8.438 1.00 23.05 C ATOM 368 CD2 LEU B 19 -12.631 8.471 -6.280 1.00 23.14 C ATOM 369 N ALA B 20 -15.162 5.683 -9.362 1.00 22.56 N ATOM 370 CA ALA B 20 -14.938 4.788 -10.489 1.00 22.16 C ATOM 371 C ALA B 20 -16.224 4.579 -11.264 1.00 22.40 C ATOM 372 O ALA B 20 -16.247 4.681 -12.493 1.00 26.10 O ATOM 373 CB ALA B 20 -14.386 3.450 -9.998 1.00 23.76 C ATOM 374 N LEU B 21 -17.311 4.279 -10.554 1.00 26.79 N ATOM 375 CA LEU B 21 -18.595 4.079 -11.210 1.00 23.03 C ATOM 376 C LEU B 21 -18.995 5.293 -12.023 1.00 22.98 C ATOM 377 O LEU B 21 -19.642 5.158 -13.068 1.00 26.53 O ATOM 378 CB LEU B 21 -19.665 3.778 -10.171 1.00 24.48 C ATOM 379 CG LEU B 21 -21.096 3.804 -10.695 1.00 25.71 C ATOM 380 CD1 LEU B 21 -21.465 2.461 -11.284 1.00 25.30 C ATOM 381 CD2 LEU B 21 -22.031 4.193 -9.586 1.00 28.19 C ATOM 382 N GLN B 22 -18.611 6.482 -11.571 1.00 22.02 N ATOM 383 CA GLN B 22 -18.969 7.680 -12.313 1.00 24.48 C ATOM 384 C GLN B 22 -18.212 7.757 -13.625 1.00 23.00 C ATOM 385 O GLN B 22 -18.774 8.165 -14.643 1.00 26.60 O ATOM 386 CB GLN B 22 -18.722 8.922 -11.464 1.00 26.88 C ATOM 387 CG GLN B 22 -19.893 9.249 -10.551 1.00 28.84 C ATOM 388 CD GLN B 22 -21.167 9.523 -11.327 1.00 31.18 C ATOM 389 OE1 GLN B 22 -21.891 8.603 -11.720 1.00 33.23 O ATOM 390 NE2 GLN B 22 -21.447 10.797 -11.555 1.00 29.61 N ATOM 391 N ALA B 23 -16.938 7.377 -13.622 1.00 24.86 N ATOM 392 CA ALA B 23 -16.217 7.272 -14.881 1.00 24.44 C ATOM 393 C ALA B 23 -16.908 6.282 -15.803 1.00 27.47 C ATOM 394 O ALA B 23 -17.074 6.542 -17.001 1.00 28.47 O ATOM 395 CB ALA B 23 -14.770 6.856 -14.624 1.00 21.52 C ATOM 396 N ALA B 24 -17.361 5.155 -15.251 1.00 25.40 N ATOM 397 CA ALA B 24 -17.976 4.125 -16.078 1.00 23.75 C ATOM 398 C ALA B 24 -19.247 4.640 -16.744 1.00 26.55 C ATOM 399 O ALA B 24 -19.409 4.529 -17.963 1.00 29.45 O ATOM 400 CB ALA B 24 -18.268 2.887 -15.239 1.00 23.30 C ATOM 401 N ARG B 25 -20.159 5.218 -15.961 1.00 25.86 N ATOM 402 CA ARG B 25 -21.383 5.742 -16.560 1.00 26.97 C ATOM 403 C ARG B 25 -21.062 6.743 -17.656 1.00 29.83 C ATOM 404 O ARG B 25 -21.751 6.805 -18.683 1.00 33.49 O ATOM 405 CB ARG B 25 -22.262 6.391 -15.500 1.00 23.98 C ATOM 406 CG ARG B 25 -22.829 5.426 -14.509 1.00 26.74 C ATOM 407 CD ARG B 25 -24.161 5.951 -14.013 1.00 34.49 C ATOM 408 NE ARG B 25 -24.081 7.378 -13.725 1.00 40.12 N ATOM 409 CZ ARG B 25 -25.094 8.115 -13.278 1.00 43.65 C ATOM 410 NH1 ARG B 25 -26.279 7.558 -13.063 1.00 39.75 N ATOM 411 NH2 ARG B 25 -24.920 9.412 -13.048 1.00 44.23 N ATOM 412 N GLN B 26 -19.996 7.513 -17.469 1.00 29.41 N ATOM 413 CA GLN B 26 -19.597 8.481 -18.482 1.00 33.86 C ATOM 414 C GLN B 26 -19.216 7.789 -19.796 1.00 32.90 C ATOM 415 O GLN B 26 -19.645 8.201 -20.881 1.00 32.22 O ATOM 416 CB GLN B 26 -18.449 9.331 -17.939 1.00 30.93 C ATOM 417 CG GLN B 26 -18.057 10.434 -18.875 1.00 34.27 C ATOM 418 CD GLN B 26 -19.208 11.363 -19.123 1.00 39.37 C ATOM 419 OE1 GLN B 26 -19.755 11.949 -18.193 1.00 37.52 O ATOM 420 NE2 GLN B 26 -19.593 11.504 -20.387 1.00 42.39 N ATOM 421 N ALA B 27 -18.433 6.712 -19.705 1.00 30.72 N ATOM 422 CA ALA B 27 -18.007 5.993 -20.901 1.00 26.79 C ATOM 423 C ALA B 27 -19.187 5.480 -21.698 1.00 28.41 C ATOM 424 O ALA B 27 -19.113 5.394 -22.927 1.00 37.36 O ATOM 425 CB ALA B 27 -17.111 4.823 -20.518 1.00 25.38 C ATOM 426 N LEU B 28 -20.277 5.130 -21.018 1.00 29.93 N ATOM 427 CA LEU B 28 -21.431 4.563 -21.704 1.00 33.32 C ATOM 428 C LEU B 28 -22.030 5.555 -22.688 1.00 35.29 C ATOM 429 O LEU B 28 -22.362 5.202 -23.828 1.00 34.65 O ATOM 430 CB LEU B 28 -22.476 4.147 -20.680 1.00 34.09 C ATOM 431 CG LEU B 28 -21.959 3.142 -19.671 1.00 30.03 C ATOM 432 CD1 LEU B 28 -23.098 2.716 -18.782 1.00 32.10 C ATOM 433 CD2 LEU B 28 -21.381 1.969 -20.411 1.00 29.46 C ATOM 434 N LYS B 29 -22.171 6.806 -22.264 1.00 36.13 N ATOM 435 CA LYS B 29 -22.734 7.815 -23.148 1.00 38.05 C ATOM 436 C LYS B 29 -21.822 8.076 -24.342 1.00 34.32 C ATOM 437 O LYS B 29 -22.304 8.447 -25.415 1.00 42.02 O ATOM 438 CB LYS B 29 -23.015 9.096 -22.353 1.00 39.60 C ATOM 439 CG LYS B 29 -23.472 8.872 -20.896 1.00 32.87 C ATOM 440 CD LYS B 29 -24.574 7.808 -20.742 1.00 36.55 C ATOM 441 CE LYS B 29 -24.846 7.488 -19.254 1.00 41.09 C ATOM 442 NZ LYS B 29 -24.274 6.185 -18.773 1.00 26.66 N1+ ATOM 443 N ALA B 30 -20.516 7.864 -24.191 1.00 34.79 N ATOM 444 CA ALA B 30 -19.599 7.863 -25.327 1.00 36.28 C ATOM 445 C ALA B 30 -19.897 6.697 -26.279 1.00 43.62 C ATOM 446 O ALA B 30 -19.820 5.522 -25.895 1.00 44.34 O ATOM 447 CB ALA B 30 -18.158 7.792 -24.847 1.00 30.81 C TER 448 ALA B 30 END If you find results from this site helpful for your research, please cite one of our papers:
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