***    ***
Job options:
ID = 2403090107092413824
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:
SEQRES 1 A 314 MET ARG LYS PRO ILE LEU ALA ALA LEU THR LEU ALA GLY
SEQRES 2 A 314 LEU GLY LEU ALA GLN GLU PHE ILE THR ILE GLY SER GLY
SEQRES 3 A 314 SER THR THR GLY VAL TYR PHE PRO VAL ALA THR GLY ILE
SEQRES 4 A 314 ALA LYS LEU VAL ASN ASP ALA ASN VAL GLY ILE ARG ALA
SEQRES 5 A 314 ASN ALA ARG SER THR GLY GLY SER VAL ALA ASN ILE ASN
SEQRES 6 A 314 ALA ILE ASN ALA GLY GLU PHE GLU MSE ALA LEU ALA GLN
SEQRES 7 A 314 ASN ASP ILE ALA TYR TYR ALA TYR GLN GLY CYS CYS ILE
SEQRES 8 A 314 PRO ALA PHE GLU GLY LYS PRO VAL LYS THR ILE ARG ALA
SEQRES 9 A 314 LEU ALA ALA LEU TYR PRO GLU VAL VAL HIS VAL VAL ALA
SEQRES 10 A 314 ARG LYS ASP ALA GLY ILE ARG THR VAL ALA ASP LEU LYS
SEQRES 11 A 314 GLY LYS ARG VAL VAL VAL GLY ASP VAL GLY SER GLY THR
SEQRES 12 A 314 GLU GLN ASN ALA ARG GLN ILE LEU GLU ALA TYR GLY LEU
SEQRES 13 A 314 THR PHE ASP ASP LEU GLY GLN ALA ILE ARG VAL SER ALA
SEQRES 14 A 314 SER GLN GLY ILE GLN LEU MSE GLN ASP LYS ARG ALA ASP
SEQRES 15 A 314 ALA LEU PHE TYR THR VAL GLY LEU GLY ALA SER ALA ILE
SEQRES 16 A 314 GLN GLN LEU ALA LEU THR THR PRO ILE ALA LEU VAL ALA
SEQRES 17 A 314 VAL ASP LEU ASN ARG ILE GLN ALA ILE ALA LYS LYS TYR
SEQRES 18 A 314 PRO PHE TYR VAL GLY PHE ASN ILE PRO GLY GLY THR TYR
SEQRES 19 A 314 LYS GLY VAL ASP VAL THR THR PRO THR VAL ALA VAL GLN
SEQRES 20 A 314 ALA MSE LEU ILE ALA SER GLU ARG LEU SER GLU GLU THR
SEQRES 21 A 314 VAL TYR LYS PHE MSE LYS ALA VAL PHE GLY ASN LEU GLU
SEQRES 22 A 314 ALA PHE LYS LYS ILE HIS PRO ASN LEU GLU ARG PHE PHE
SEQRES 23 A 314 GLY LEU GLU LYS ALA VAL LYS GLY LEU PRO ILE PRO LEU
SEQRES 24 A 314 HIS PRO GLY ALA GLU ARG PHE TYR LYS GLU ALA GLY VAL
SEQRES 25 A 314 LEU LYS
HELIX 1 1 VAL A 31 ALA A 46 1 16
HELIX 2 2 GLY A 59 ALA A 69 1 11
HELIX 3 3 ASN A 79 GLY A 88 1 10
HELIX 4 4 THR A 125 LYS A 130 1 6
HELIX 5 5 SER A 141 TYR A 154 1 14
HELIX 6 6 THR A 157 LEU A 161 1 5
HELIX 7 7 SER A 168 ASP A 178 1 11
HELIX 8 8 ALA A 192 THR A 202 1 11
HELIX 9 9 ASP A 210 ALA A 216 1 7
HELIX 10 10 SER A 257 PHE A 269 1 13
HELIX 11 11 ASN A 271 LYS A 277 1 7
HELIX 12 12 HIS A 279 PHE A 286 1 8
HELIX 13 13 GLY A 287 VAL A 292 1 6
HELIX 14 14 HIS A 300 ALA A 310 1 11
SHEET 1 1 1 GLU A 19 GLY A 24 0
SHEET 2 2 1 ILE A 50 ARG A 55 0
SHEET 3 3 1 MSE A 74 GLN A 78 0
SHEET 4 4 1 ILE A 102 ARG A 118 0
SHEET 5 5 1 VAL A 225 ILE A 229 0
SHEET 6 6 1 THR A 241 SER A 253 0
SSBOND 1 CYS A 89 CYS A 90 1555 1555 2.05
CRYST1 51.518 68.092 81.381 90.00 90.00 90.00 P 21 21 21 4
ATOM 1 N VAL A 31 48.427 37.081 66.884 1.00 4.72 N
ATOM 2 CA VAL A 31 47.465 37.521 67.885 1.00 4.53 C
ATOM 3 C VAL A 31 46.180 36.690 67.813 1.00 3.73 C
ATOM 4 O VAL A 31 45.527 36.446 68.829 1.00 3.42 O
ATOM 5 CB VAL A 31 47.150 39.031 67.724 1.00 3.84 C
ATOM 6 CG1 VAL A 31 46.087 39.459 68.733 1.00 4.30 C
ATOM 7 CG2 VAL A 31 48.421 39.844 67.949 1.00 4.81 C
ATOM 8 N TYR A 32 45.818 36.248 66.614 1.00 5.53 N
ATOM 9 CA TYR A 32 44.624 35.419 66.458 1.00 4.35 C
ATOM 10 C TYR A 32 44.677 34.189 67.370 1.00 5.99 C
ATOM 11 O TYR A 32 43.697 33.857 68.042 1.00 4.64 O
ATOM 12 CB TYR A 32 44.496 34.901 65.026 1.00 3.34 C
ATOM 13 CG TYR A 32 43.968 35.859 63.986 1.00 3.25 C
ATOM 14 CD1 TYR A 32 43.628 37.179 64.297 1.00 4.87 C
ATOM 15 CD2 TYR A 32 43.808 35.429 62.670 1.00 1.25 C
ATOM 16 CE1 TYR A 32 43.141 38.046 63.307 1.00 3.89 C
ATOM 17 CE2 TYR A 32 43.327 36.274 61.687 1.00 3.98 C
ATOM 18 CZ TYR A 32 42.999 37.576 62.003 1.00 4.54 C
ATOM 19 OH TYR A 32 42.561 38.398 60.990 1.00 6.50 O
ATOM 20 N SER A 60 43.451 34.184 57.647 1.00 1.63 N
ATOM 21 CA SER A 60 42.125 34.489 57.114 1.00 2.76 C
ATOM 22 C SER A 60 41.579 33.652 55.960 1.00 2.23 C
ATOM 23 O SER A 60 40.453 33.155 56.035 1.00 3.26 O
ATOM 24 CB SER A 60 42.051 35.968 56.721 1.00 3.99 C
ATOM 25 OG SER A 60 42.177 36.801 57.861 1.00 4.74 O
ATOM 26 N GLN A 78 40.257 38.855 58.790 1.00 2.66 N
ATOM 27 CA GLN A 78 40.285 40.287 58.511 1.00 2.94 C
ATOM 28 C GLN A 78 38.972 40.691 57.857 1.00 4.57 C
ATOM 29 O GLN A 78 38.384 39.914 57.103 1.00 3.40 O
ATOM 30 CB GLN A 78 41.451 40.616 57.576 1.00 4.71 C
ATOM 31 CG GLN A 78 42.805 40.203 58.127 1.00 5.17 C
ATOM 32 CD GLN A 78 43.955 40.429 57.157 1.00 2.59 C
ATOM 33 OE1 GLN A 78 45.077 39.996 57.413 1.00 6.56 O
ATOM 34 NE2 GLN A 78 43.685 41.111 56.045 1.00 3.14 N
ATOM 35 N PRO A 110 42.204 46.569 65.641 1.00 6.57 N
ATOM 36 CA PRO A 110 42.878 46.884 64.378 1.00 7.00 C
ATOM 37 C PRO A 110 44.051 45.962 64.072 1.00 5.63 C
ATOM 38 O PRO A 110 44.853 45.655 64.951 1.00 6.55 O
ATOM 39 CB APRO A 110 43.340 48.330 64.577 0.50 6.50 C
ATOM 40 CB BPRO A 110 43.339 48.323 64.579 0.50 6.49 C
ATOM 41 CG APRO A 110 43.624 48.362 66.042 0.50 1.25 C
ATOM 42 CG BPRO A 110 42.434 48.855 65.646 0.50 2.29 C
ATOM 43 CD PRO A 110 42.388 47.685 66.584 1.00 6.39 C
ATOM 44 N GLU A 111 44.139 45.522 62.823 1.00 4.44 N
ATOM 45 CA GLU A 111 45.247 44.692 62.382 1.00 4.38 C
ATOM 46 C GLU A 111 46.081 45.592 61.489 1.00 5.44 C
ATOM 47 O GLU A 111 45.631 46.039 60.431 1.00 7.00 O
ATOM 48 CB GLU A 111 44.744 43.482 61.613 1.00 6.20 C
ATOM 49 CG GLU A 111 44.010 42.513 62.501 1.00 5.54 C
ATOM 50 CD GLU A 111 43.910 41.147 61.878 1.00 7.34 C
ATOM 51 OE1 GLU A 111 42.864 40.849 61.269 1.00 9.97 O
ATOM 52 OE2 GLU A 111 44.893 40.380 61.994 1.00 5.92 O
ATOM 53 N VAL A 112 47.300 45.856 61.933 1.00 5.13 N
ATOM 54 CA VAL A 112 48.202 46.754 61.232 1.00 5.65 C
ATOM 55 C VAL A 112 49.166 46.031 60.307 1.00 6.07 C
ATOM 56 O VAL A 112 49.700 44.979 60.647 1.00 6.20 O
ATOM 57 CB VAL A 112 48.999 47.581 62.258 1.00 8.38 C
ATOM 58 CG1 VAL A 112 49.698 48.742 61.573 1.00 9.23 C
ATOM 59 CG2 VAL A 112 48.051 48.091 63.347 1.00 9.25 C
ATOM 60 CA ARG A 118 66.576 43.995 58.525 1.00 8.85 C
ATOM 61 CB ARG A 118 67.430 42.807 58.069 1.00 8.60 C
ATOM 62 CG ARG A 118 66.920 41.463 58.570 1.00 11.57 C
ATOM 63 CD ARG A 118 67.925 40.346 58.314 1.00 13.23 C
ATOM 64 NE ARG A 118 68.149 40.122 56.891 1.00 28.01 N
ATOM 65 CZ ARG A 118 69.314 40.308 56.278 1.00 34.59 C
ATOM 66 NH1 ARG A 118 70.369 40.722 56.966 1.00 37.04 N
ATOM 67 NH2 ARG A 118 69.422 40.080 54.977 1.00 37.41 N
ATOM 68 CA ARG A 133 64.015 37.921 49.809 1.00 6.09 C
ATOM 69 CB ARG A 133 65.051 37.002 50.449 1.00 8.78 C
ATOM 70 CG ARG A 133 66.159 36.584 49.494 1.00 13.47 C
ATOM 71 CD ARG A 133 67.314 35.964 50.256 1.00 16.69 C
ATOM 72 NE ARG A 133 67.907 36.921 51.187 1.00 16.35 N
ATOM 73 CZ ARG A 133 68.903 36.634 52.018 1.00 15.95 C
ATOM 74 NH1 ARG A 133 69.420 35.412 52.036 1.00 16.75 N
ATOM 75 NH2 ARG A 133 69.383 37.568 52.828 1.00 19.15 N
ATOM 76 N GLY A 137 53.890 36.426 53.758 1.00 7.30 N
ATOM 77 CA GLY A 137 52.774 35.983 54.572 1.00 6.97 C
ATOM 78 C GLY A 137 52.699 34.478 54.484 1.00 9.61 C
ATOM 79 O GLY A 137 53.403 33.865 53.683 1.00 10.65 O
ATOM 80 N ASP A 138 51.843 33.873 55.295 1.00 6.31 N
ATOM 81 CA ASP A 138 51.717 32.426 55.285 1.00 6.42 C
ATOM 82 C ASP A 138 50.798 31.969 54.159 1.00 7.31 C
ATOM 83 O ASP A 138 50.095 32.774 53.540 1.00 6.23 O
ATOM 84 CB ASP A 138 51.156 31.948 56.625 1.00 6.88 C
ATOM 85 CG ASP A 138 51.556 30.523 56.953 1.00 9.38 C
ATOM 86 OD1 ASP A 138 52.144 29.846 56.080 1.00 9.15 O
ATOM 87 OD2 ASP A 138 51.282 30.084 58.091 1.00 10.47 O
ATOM 88 N SER A 141 47.042 33.074 54.084 1.00 4.69 N
ATOM 89 CA SER A 141 46.990 34.214 54.990 1.00 5.35 C
ATOM 90 C SER A 141 46.306 35.435 54.392 1.00 9.31 C
ATOM 91 O SER A 141 46.200 35.576 53.169 1.00 7.18 O
ATOM 92 CB SER A 141 48.404 34.622 55.398 1.00 11.08 C
ATOM 93 OG SER A 141 49.108 35.145 54.281 1.00 6.51 O
ATOM 94 N GLY A 142 45.845 36.320 55.270 1.00 7.80 N
ATOM 95 CA GLY A 142 45.238 37.553 54.810 1.00 4.55 C
ATOM 96 C GLY A 142 46.418 38.445 54.469 1.00 3.85 C
ATOM 97 O GLY A 142 46.361 39.266 53.550 1.00 5.05 O
ATOM 98 N THR A 143 47.505 38.254 55.219 1.00 5.13 N
ATOM 99 CA THR A 143 48.740 39.015 55.039 1.00 4.44 C
ATOM 100 C THR A 143 49.204 39.012 53.580 1.00 6.42 C
ATOM 101 O THR A 143 49.542 40.061 53.030 1.00 5.21 O
ATOM 102 CB THR A 143 49.887 38.439 55.918 1.00 5.60 C
ATOM 103 OG1 THR A 143 49.544 38.554 57.305 1.00 5.27 O
ATOM 104 CG2 THR A 143 51.190 39.190 55.665 1.00 3.38 C
ATOM 105 CA GLU A 144 49.670 37.745 51.561 1.00 6.48 C
ATOM 106 CB GLU A 144 49.606 36.302 51.051 1.00 7.37 C
ATOM 107 CG GLU A 144 50.308 36.142 49.708 1.00 10.70 C
ATOM 108 CD GLU A 144 50.133 34.772 49.087 1.00 16.58 C
ATOM 109 OE1 GLU A 144 50.059 33.778 49.837 1.00 22.33 O
ATOM 110 OE2 GLU A 144 50.091 34.693 47.838 1.00 15.52 O
ATOM 111 CA ARG A 166 55.247 31.894 52.312 1.00 9.16 C
ATOM 112 CB ARG A 166 54.158 31.390 51.360 1.00 12.88 C
ATOM 113 CG ARG A 166 53.822 32.345 50.229 1.00 13.57 C
ATOM 114 CD ARG A 166 52.789 31.731 49.290 1.00 22.18 C
ATOM 115 NE ARG A 166 52.391 32.646 48.225 1.00 29.02 N
ATOM 116 CZ ARG A 166 53.193 33.071 47.253 1.00 34.33 C
ATOM 117 NH1 ARG A 166 54.456 32.666 47.199 1.00 36.63 N
ATOM 118 NH2 ARG A 166 52.729 33.903 46.330 1.00 32.03 N
ATOM 119 N VAL A 167 55.513 31.385 54.668 1.00 6.09 N
ATOM 120 CA VAL A 167 55.723 30.544 55.845 1.00 6.79 C
ATOM 121 C VAL A 167 54.977 31.131 57.039 1.00 11.20 C
ATOM 122 O VAL A 167 54.410 32.218 56.943 1.00 9.59 O
ATOM 123 CB VAL A 167 57.226 30.463 56.210 1.00 8.81 C
ATOM 124 CG1 VAL A 167 57.987 29.680 55.147 1.00 9.39 C
ATOM 125 CG2 VAL A 167 57.802 31.871 56.335 1.00 7.98 C
ATOM 126 N SER A 168 54.990 30.412 58.161 1.00 7.29 N
ATOM 127 CA SER A 168 54.325 30.864 59.383 1.00 8.08 C
ATOM 128 C SER A 168 55.113 32.010 60.006 1.00 11.42 C
ATOM 129 O SER A 168 56.242 32.285 59.604 1.00 8.54 O
ATOM 130 CB SER A 168 54.246 29.724 60.398 1.00 11.26 C
ATOM 131 OG SER A 168 55.534 29.438 60.929 1.00 9.99 O
ATOM 132 N ALA A 169 54.518 32.669 60.998 1.00 8.96 N
ATOM 133 CA ALA A 169 55.184 33.774 61.677 1.00 8.77 C
ATOM 134 C ALA A 169 56.469 33.302 62.351 1.00 10.43 C
ATOM 135 O ALA A 169 57.501 33.968 62.268 1.00 9.11 O
ATOM 136 CB ALA A 169 54.248 34.395 62.709 1.00 6.00 C
ATOM 137 CA ASP A 182 65.472 40.491 54.127 1.00 8.77 C
ATOM 138 CB ASP A 182 65.891 41.100 52.790 1.00 8.09 C
ATOM 139 CG ASP A 182 67.014 40.335 52.130 1.00 12.41 C
ATOM 140 OD1 ASP A 182 68.067 40.170 52.775 1.00 14.34 O
ATOM 141 OD2 ASP A 182 66.845 39.905 50.970 1.00 12.87 O
ATOM 142 N PHE A 185 56.317 40.675 55.816 1.00 3.66 N
ATOM 143 CA PHE A 185 55.019 41.337 55.931 1.00 4.73 C
ATOM 144 C PHE A 185 54.195 40.560 56.943 1.00 2.91 C
ATOM 145 O PHE A 185 54.270 39.334 56.991 1.00 6.44 O
ATOM 146 CB PHE A 185 54.225 41.277 54.625 1.00 4.40 C
ATOM 147 CG PHE A 185 54.609 42.310 53.615 1.00 6.42 C
ATOM 148 CD1 PHE A 185 55.760 42.163 52.851 1.00 10.27 C
ATOM 149 CD2 PHE A 185 53.786 43.410 53.392 1.00 6.02 C
ATOM 150 CE1 PHE A 185 56.085 43.098 51.874 1.00 10.23 C
ATOM 151 CE2 PHE A 185 54.104 44.353 52.416 1.00 5.95 C
ATOM 152 CZ PHE A 185 55.251 44.196 51.656 1.00 9.91 C
ATOM 153 N TYR A 186 53.397 41.270 57.731 1.00 2.47 N
ATOM 154 CA TYR A 186 52.512 40.626 58.691 1.00 5.19 C
ATOM 155 C TYR A 186 51.374 41.583 59.006 1.00 5.77 C
ATOM 156 O TYR A 186 51.592 42.653 59.576 1.00 6.02 O
ATOM 157 CB TYR A 186 53.260 40.257 59.985 1.00 2.24 C
ATOM 158 CG TYR A 186 52.603 39.152 60.808 1.00 6.07 C
ATOM 159 CD1 TYR A 186 51.517 38.422 60.311 1.00 5.68 C
ATOM 160 CD2 TYR A 186 53.128 38.781 62.050 1.00 7.56 C
ATOM 161 CE1 TYR A 186 50.979 37.341 61.029 1.00 3.70 C
ATOM 162 CE2 TYR A 186 52.596 37.703 62.774 1.00 7.15 C
ATOM 163 CZ TYR A 186 51.529 36.987 62.254 1.00 7.22 C
ATOM 164 OH TYR A 186 51.041 35.893 62.938 1.00 7.73 O
ATOM 165 N THR A 187 50.164 41.223 58.589 1.00 3.98 N
ATOM 166 CA THR A 187 48.992 42.041 58.890 1.00 1.25 C
ATOM 167 C THR A 187 48.560 41.449 60.225 1.00 3.55 C
ATOM 168 O THR A 187 47.991 40.359 60.275 1.00 3.32 O
ATOM 169 CB THR A 187 47.884 41.844 57.852 1.00 1.73 C
ATOM 170 OG1 THR A 187 48.367 42.246 56.562 1.00 5.20 O
ATOM 171 CG2 THR A 187 46.665 42.686 58.212 1.00 5.86 C
ATOM 172 N VAL A 188 48.827 42.167 61.307 1.00 2.32 N
ATOM 173 CA VAL A 188 48.535 41.628 62.621 1.00 3.46 C
ATOM 174 C VAL A 188 48.339 42.715 63.664 1.00 3.73 C
ATOM 175 O VAL A 188 48.752 43.857 63.471 1.00 3.27 O
ATOM 176 CB VAL A 188 49.700 40.700 63.047 1.00 5.59 C
ATOM 177 CG1 VAL A 188 50.990 41.505 63.145 1.00 6.24 C
ATOM 178 CG2 VAL A 188 49.390 40.006 64.369 1.00 5.89 C
ATOM 179 CA GLU A 258 21.058 30.756 66.867 1.00 6.65 C
ATOM 180 CB GLU A 258 19.673 31.352 66.584 1.00 10.59 C
ATOM 181 CG GLU A 258 19.329 32.620 67.350 1.00 13.41 C
ATOM 182 CD GLU A 258 18.959 32.342 68.798 1.00 19.52 C
ATOM 183 OE1 GLU A 258 18.240 31.351 69.045 1.00 20.38 O
ATOM 184 OE2 GLU A 258 19.374 33.117 69.686 1.00 22.36 O
ATOM 185 CA GLU A 259 20.848 29.278 70.368 1.00 7.47 C
ATOM 186 CB GLU A 259 19.978 28.094 70.793 1.00 10.97 C
ATOM 187 CG GLU A 259 18.501 28.423 70.910 1.00 23.74 C
ATOM 188 CD GLU A 259 18.227 29.475 71.970 1.00 27.63 C
ATOM 189 OE1 GLU A 259 18.657 29.281 73.127 1.00 30.92 O
ATOM 190 OE2 GLU A 259 17.579 30.491 71.644 1.00 28.33 O
ATOM 191 CA ARG A 305 20.086 38.719 69.544 1.00 9.95 C
ATOM 192 CB ARG A 305 19.670 37.269 69.781 1.00 7.46 C
ATOM 193 CG ARG A 305 18.891 37.062 71.062 1.00 9.08 C
ATOM 194 CD ARG A 305 18.543 35.606 71.248 1.00 14.13 C
ATOM 195 NE ARG A 305 17.972 35.368 72.568 1.00 17.33 N
ATOM 196 CZ ARG A 305 17.729 34.164 73.069 1.00 14.54 C
ATOM 197 NH1 ARG A 305 18.005 33.078 72.360 1.00 14.95 N
ATOM 198 NH2 ARG A 305 17.214 34.046 74.285 1.00 21.26 N
ATOM 199 CA GLU A 309 19.649 42.613 74.340 1.00 12.69 C
ATOM 200 CB GLU A 309 19.778 41.164 74.815 1.00 13.88 C
ATOM 201 CG GLU A 309 18.552 40.317 74.525 1.00 15.59 C
ATOM 202 CD GLU A 309 18.761 38.847 74.838 1.00 19.47 C
ATOM 203 OE1 GLU A 309 19.580 38.531 75.729 1.00 21.96 O
ATOM 204 OE2 GLU A 309 18.094 38.007 74.201 1.00 21.47 O
TER 205 LYS A 314
HETATM 206 C1 EDO A1314 54.254 36.589 58.710 1.00 12.07 C
HETATM 207 O1 EDO A1314 53.176 37.121 57.940 1.00 6.91 O
HETATM 208 C2 EDO A1314 54.622 35.199 58.225 1.00 16.44 C
HETATM 209 O2 EDO A1314 53.479 34.328 58.274 1.00 16.80 O
HETATM 210 O HOH A2007 47.762 34.088 65.404 1.00 6.74 O
HETATM 211 O HOH A2047 48.834 34.411 58.970 1.00 5.96 O
HETATM 212 O HOH A2087 45.860 40.017 64.475 1.00 2.59 O
HETATM 213 O HOH A2234 49.164 34.446 61.700 1.00 4.50 O
HETATM 214 O HOH A2235 50.749 35.837 57.532 1.00 10.43 O
CONECT 206 207 208
CONECT 207 206
CONECT 208 206 209
CONECT 209 208
END
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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