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*** ***elNémo ID: 2403041038051524752Job options:ID = 2403041038051524752 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 GENERATED BY TRJCONV TITLE Protein in water t= 500000.00000 step= 250000000 REMARK THIS IS A SIMULATION BOX CRYST1 93.340 93.340 93.340 90.00 90.00 90.00 P 1 1 MODEL 1 ATOM 1 CA MET A 1 34.385 36.775 50.105 1.00 0.00 C ATOM 2 CA ALA A 2 35.575 33.105 49.925 1.00 0.00 C ATOM 3 CA ASP A 3 34.605 31.915 52.455 1.00 0.00 C ATOM 4 CA LYS A 4 32.695 32.115 55.785 1.00 0.00 C ATOM 5 CA ALA A 5 31.945 28.325 55.415 1.00 0.00 C ATOM 6 CA LYS A 6 34.715 25.755 56.105 1.00 0.00 C ATOM 7 CA PRO A 7 36.505 23.345 55.285 1.00 0.00 C ATOM 8 CA ALA A 8 37.735 23.885 51.675 1.00 0.00 C ATOM 9 CA LYS A 9 36.195 20.725 49.865 1.00 0.00 C ATOM 10 CA ALA A 10 37.175 20.105 46.925 1.00 0.00 C ATOM 11 CA ALA A 11 40.895 19.835 47.875 1.00 0.00 C ATOM 12 CA ASN A 12 41.545 20.825 44.225 1.00 0.00 C ATOM 13 CA ARG A 13 42.455 24.645 44.485 1.00 0.00 C ATOM 14 CA THR A 14 41.575 26.195 41.045 1.00 0.00 C ATOM 15 CA PRO A 15 43.775 28.815 39.535 1.00 0.00 C ATOM 16 CA PRO A 16 44.095 32.475 40.585 1.00 0.00 C ATOM 17 CA LYS A 17 42.075 34.545 37.985 1.00 0.00 C ATOM 18 CA SER A 18 39.725 36.595 40.155 1.00 0.00 C ATOM 19 CA PRO A 19 37.805 39.425 38.355 1.00 0.00 C ATOM 20 CA GLY A 20 36.755 41.105 41.705 1.00 0.00 C ATOM 21 CA ASP A 21 34.095 40.695 44.535 1.00 0.00 C ATOM 22 CA PRO A 22 30.985 40.125 44.205 1.00 0.00 C ATOM 23 CA SER A 23 31.295 37.505 41.445 1.00 0.00 C ATOM 24 CA LYS A 24 31.465 33.895 42.805 1.00 0.00 C ATOM 25 CA ASP A 25 32.645 32.455 46.185 1.00 0.00 C ATOM 26 CA ARG A 26 31.605 28.755 45.855 1.00 0.00 C ATOM 27 CA ALA A 27 31.445 26.285 42.975 1.00 0.00 C ATOM 28 CA ALA A 28 28.915 23.645 41.525 1.00 0.00 C ATOM 29 CA LYS A 29 27.075 22.015 43.495 1.00 0.00 C ATOM 30 CA ARG A 30 27.925 23.675 46.825 1.00 0.00 C ATOM 31 CA LEU A 31 31.715 23.015 46.925 1.00 0.00 C ATOM 32 CA SER A 32 34.305 25.685 47.945 1.00 0.00 C ATOM 33 CA LEU A 33 36.155 27.905 45.405 1.00 0.00 C ATOM 34 CA GLU A 34 39.145 28.215 47.715 1.00 0.00 C ATOM 35 CA SER A 35 41.895 30.065 45.545 1.00 0.00 C ATOM 36 CA GLU A 36 44.095 33.325 45.415 1.00 0.00 C ATOM 37 CA GLY A 37 43.395 36.525 43.255 1.00 0.00 C ATOM 38 CA ALA A 38 45.725 37.255 40.285 1.00 0.00 C ATOM 39 CA GLY A 39 48.365 34.935 39.005 1.00 0.00 C ATOM 40 CA GLU A 40 50.035 35.095 35.645 1.00 0.00 C ATOM 41 CA GLY A 41 48.695 37.375 32.945 1.00 0.00 C ATOM 42 CA ALA A 42 48.315 40.975 32.215 1.00 0.00 C ATOM 43 CA ALA A 43 48.155 44.105 34.425 1.00 0.00 C ATOM 44 CA ALA A 44 47.495 46.565 31.605 1.00 0.00 C ATOM 45 CA SER A 45 45.355 48.995 33.585 1.00 0.00 C ATOM 46 CA PRO A 46 46.465 51.025 36.675 1.00 0.00 C ATOM 47 CA GLU A 47 45.655 49.645 40.185 1.00 0.00 C ATOM 48 CA LEU A 48 43.595 52.605 41.655 1.00 0.00 C ATOM 49 CA SER A 49 43.945 56.085 40.175 1.00 0.00 C ATOM 50 CA ALA A 50 40.465 57.795 40.495 1.00 0.00 C ATOM 51 CA LEU A 51 38.155 58.575 43.415 1.00 0.00 C ATOM 52 CA GLU A 52 34.945 56.655 42.245 1.00 0.00 C ATOM 53 CA GLU A 53 37.115 53.495 42.005 1.00 0.00 C ATOM 54 CA ALA A 54 38.415 54.195 45.575 1.00 0.00 C ATOM 55 CA PHE A 55 34.655 54.725 46.615 1.00 0.00 C ATOM 56 CA ARG A 56 33.815 51.115 45.455 1.00 0.00 C ATOM 57 CA ARG A 57 36.925 49.805 47.385 1.00 0.00 C ATOM 58 CA PHE A 58 36.435 51.625 50.705 1.00 0.00 C ATOM 59 CA ALA A 59 33.195 53.495 51.095 1.00 0.00 C ATOM 60 CA VAL A 60 30.945 50.635 50.145 1.00 0.00 C ATOM 61 CA HIS A 61 33.375 47.615 50.215 1.00 0.00 C ATOM 62 CA GLY A 62 36.135 46.225 52.345 1.00 0.00 C ATOM 63 CA ASP A 63 34.135 45.105 55.445 1.00 0.00 C ATOM 64 CA ALA A 64 30.765 44.165 53.765 1.00 0.00 C ATOM 65 CA ARG A 65 29.205 44.635 50.245 1.00 0.00 C ATOM 66 CA ALA A 66 26.825 47.585 49.795 1.00 0.00 C ATOM 67 CA THR A 67 25.705 49.945 46.965 1.00 0.00 C ATOM 68 CA GLY A 68 24.505 53.515 46.195 1.00 0.00 C ATOM 69 CA ARG A 69 25.925 57.165 46.155 1.00 0.00 C ATOM 70 CA GLU A 70 26.205 57.425 50.045 1.00 0.00 C ATOM 71 CA MET A 71 29.015 55.735 52.125 1.00 0.00 C ATOM 72 CA HIS A 72 28.065 52.625 54.185 1.00 0.00 C ATOM 73 CA GLY A 73 28.665 53.195 57.955 1.00 0.00 C ATOM 74 CA LYS A 74 30.095 49.735 58.735 1.00 0.00 C ATOM 75 CA ASN A 75 32.735 49.915 55.945 1.00 0.00 C ATOM 76 CA TRP A 76 34.185 53.275 57.305 1.00 0.00 C ATOM 77 CA SER A 77 34.585 51.625 60.755 1.00 0.00 C ATOM 78 CA LYS A 78 38.535 51.555 60.775 1.00 0.00 C ATOM 79 CA LEU A 79 39.255 54.135 58.005 1.00 0.00 C ATOM 80 CA CYS A 80 37.455 56.745 60.185 1.00 0.00 C ATOM 81 CA LYS A 81 40.365 56.105 62.675 1.00 0.00 C ATOM 82 CA ASP A 82 43.105 55.175 60.145 1.00 0.00 C ATOM 83 CA CYS A 83 43.315 57.345 56.975 1.00 0.00 C ATOM 84 CA GLN A 84 46.575 59.265 55.835 1.00 0.00 C ATOM 85 CA VAL A 85 44.795 62.665 56.435 1.00 0.00 C ATOM 86 CA ILE A 86 45.845 62.065 60.025 1.00 0.00 C ATOM 87 CA ASP A 87 49.545 62.985 60.895 1.00 0.00 C ATOM 88 CA GLY A 88 48.505 62.425 64.555 1.00 0.00 C ATOM 89 CA ARG A 89 48.775 65.945 65.985 1.00 0.00 C ATOM 90 CA ASN A 90 47.745 68.615 63.295 1.00 0.00 C ATOM 91 CA VAL A 91 44.995 66.145 62.275 1.00 0.00 C ATOM 92 CA THR A 92 44.225 63.725 65.275 1.00 0.00 C ATOM 93 CA VAL A 93 42.305 60.435 65.205 1.00 0.00 C ATOM 94 CA THR A 94 38.785 61.675 66.375 1.00 0.00 C ATOM 95 CA ASP A 95 39.165 65.055 64.435 1.00 0.00 C ATOM 96 CA VAL A 96 38.535 63.485 61.045 1.00 0.00 C ATOM 97 CA ASP A 97 35.425 61.455 62.435 1.00 0.00 C ATOM 98 CA ILE A 98 33.485 64.785 62.975 1.00 0.00 C ATOM 99 CA VAL A 99 33.945 65.545 59.175 1.00 0.00 C ATOM 100 CA PHE A 100 33.095 61.895 58.055 1.00 0.00 C ATOM 101 CA SER A 101 29.805 61.985 60.055 1.00 0.00 C ATOM 102 CA LYS A 102 28.735 65.755 59.355 1.00 0.00 C ATOM 103 CA ILE A 103 25.105 64.755 58.575 1.00 0.00 C ATOM 104 CA LYS A 104 22.385 66.675 60.565 1.00 0.00 C ATOM 105 CA GLY A 105 19.495 64.155 61.395 1.00 0.00 C ATOM 106 CA LYS A 106 21.535 61.075 62.375 1.00 0.00 C ATOM 107 CA SER A 107 25.145 60.615 63.475 1.00 0.00 C ATOM 108 CA CYS A 108 26.405 57.575 61.475 1.00 0.00 C ATOM 109 CA ARG A 109 29.615 57.465 59.235 1.00 0.00 C ATOM 110 CA THR A 110 27.535 57.765 56.035 1.00 0.00 C ATOM 111 CA ILE A 111 28.215 60.965 53.885 1.00 0.00 C ATOM 112 CA THR A 112 27.265 61.305 50.155 1.00 0.00 C ATOM 113 CA PHE A 113 29.825 60.805 47.355 1.00 0.00 C ATOM 114 CA GLU A 114 29.435 64.675 46.625 1.00 0.00 C ATOM 115 CA GLN A 115 30.605 65.685 50.095 1.00 0.00 C ATOM 116 CA PHE A 116 33.165 62.695 50.115 1.00 0.00 C ATOM 117 CA GLN A 117 35.415 64.935 47.775 1.00 0.00 C ATOM 118 CA GLU A 118 34.645 67.935 50.205 1.00 0.00 C ATOM 119 CA ALA A 119 35.425 65.895 53.485 1.00 0.00 C ATOM 120 CA LEU A 120 38.725 64.485 52.085 1.00 0.00 C ATOM 121 CA GLU A 121 39.665 67.995 50.585 1.00 0.00 C ATOM 122 CA GLU A 122 39.145 69.535 54.085 1.00 0.00 C ATOM 123 CA LEU A 123 41.025 66.985 56.115 1.00 0.00 C ATOM 124 CA ALA A 124 44.045 66.775 53.515 1.00 0.00 C ATOM 125 CA LYS A 125 44.315 70.735 53.165 1.00 0.00 C ATOM 126 CA LYS A 126 44.315 70.845 57.055 1.00 0.00 C ATOM 127 CA ARG A 127 47.485 68.505 57.275 1.00 0.00 C ATOM 128 CA PHE A 128 49.525 69.245 54.035 1.00 0.00 C ATOM 129 CA LYS A 129 49.955 73.075 54.735 1.00 0.00 C ATOM 130 CA ASP A 130 53.395 73.225 53.005 1.00 0.00 C ATOM 131 CA LYS A 131 54.635 73.505 49.395 1.00 0.00 C ATOM 132 CA SER A 132 55.945 69.825 48.985 1.00 0.00 C ATOM 133 CA SER A 133 52.535 68.395 50.025 1.00 0.00 C ATOM 134 CA GLU A 134 50.425 70.875 47.965 1.00 0.00 C ATOM 135 CA GLU A 135 49.355 68.215 45.495 1.00 0.00 C ATOM 136 CA ALA A 136 48.545 65.725 48.355 1.00 0.00 C ATOM 137 CA VAL A 137 45.405 67.985 48.865 1.00 0.00 C ATOM 138 CA ARG A 138 44.485 66.905 45.315 1.00 0.00 C ATOM 139 CA GLU A 139 45.555 63.145 45.635 1.00 0.00 C ATOM 140 CA VAL A 140 42.425 62.625 47.945 1.00 0.00 C ATOM 141 CA HIS A 141 41.545 59.105 46.595 1.00 0.00 C ATOM 142 CA ARG A 142 45.125 57.695 47.445 1.00 0.00 C ATOM 143 CA LEU A 143 45.055 58.835 51.095 1.00 0.00 C ATOM 144 CA ILE A 144 42.855 55.905 52.135 1.00 0.00 C ATOM 145 CA GLU A 145 45.495 53.075 51.985 1.00 0.00 C ATOM 146 CA GLY A 146 44.625 49.855 53.655 1.00 0.00 C ATOM 147 CA LYS A 147 44.755 46.175 52.485 1.00 0.00 C ATOM 148 CA ALA A 148 42.995 46.315 49.015 1.00 0.00 C ATOM 149 CA PRO A 149 42.065 43.215 46.775 1.00 0.00 C ATOM 150 CA ILE A 150 44.245 41.705 44.075 1.00 0.00 C ATOM 151 CA ILE A 151 42.185 41.535 40.765 1.00 0.00 C ATOM 152 CA SER A 152 43.505 39.605 37.705 1.00 0.00 C ATOM 153 CA GLY A 153 44.055 42.435 35.205 1.00 0.00 C ATOM 154 CA VAL A 154 45.015 45.445 37.395 1.00 0.00 C ATOM 155 CA THR A 155 47.705 43.265 39.065 1.00 0.00 C ATOM 156 CA LYS A 156 49.545 40.005 38.455 1.00 0.00 C ATOM 157 CA ALA A 157 51.495 37.645 40.785 1.00 0.00 C ATOM 158 CA ILE A 158 55.295 37.525 40.295 1.00 0.00 C ATOM 159 CA SER A 159 57.635 35.245 42.395 1.00 0.00 C ATOM 160 CA SER A 160 59.055 36.675 45.725 1.00 0.00 C ATOM 161 CA PRO A 161 62.835 37.105 45.825 1.00 0.00 C ATOM 162 CA THR A 162 65.155 36.895 49.055 1.00 0.00 C ATOM 163 CA VAL A 163 65.015 40.755 49.045 1.00 0.00 C ATOM 164 CA SER A 164 62.475 42.755 51.165 1.00 0.00 C ATOM 165 CA ARG A 165 61.545 46.505 51.425 1.00 0.00 C ATOM 166 CA LEU A 166 63.325 48.905 53.925 1.00 0.00 C ATOM 167 CA THR A 167 61.435 51.675 56.015 1.00 0.00 C ATOM 168 CA ASP A 168 64.645 53.635 55.535 1.00 0.00 C ATOM 169 CA THR A 169 64.825 55.245 52.005 1.00 0.00 C ATOM 170 CA THR A 170 68.595 55.935 51.645 1.00 0.00 C ATOM 171 CA LYS A 171 69.765 52.645 49.775 1.00 0.00 C ATOM 172 CA PHE A 172 66.705 50.585 48.785 1.00 0.00 C ATOM 173 CA THR A 173 65.205 53.475 46.825 1.00 0.00 C ATOM 174 CA GLY A 174 63.475 54.165 43.505 1.00 0.00 C ATOM 175 CA SER A 175 60.015 53.755 41.715 1.00 0.00 C ATOM 176 CA HIS A 176 60.545 49.965 41.005 1.00 0.00 C ATOM 177 CA LYS A 177 59.135 48.625 44.385 1.00 0.00 C ATOM 178 CA GLU A 178 55.695 49.815 43.285 1.00 0.00 C ATOM 179 CA ARG A 179 55.865 48.285 39.755 1.00 0.00 C ATOM 180 CA PHE A 180 57.075 44.965 41.305 1.00 0.00 C ATOM 181 CA ASP A 181 56.735 44.505 45.135 1.00 0.00 C ATOM 182 CA PRO A 182 59.065 41.935 47.015 1.00 0.00 C ATOM 183 CA SER A 183 55.825 40.255 48.465 1.00 0.00 C ATOM 184 CA GLY A 184 55.415 39.245 44.735 1.00 0.00 C ATOM 185 CA LYS A 185 52.705 41.805 43.695 1.00 0.00 C ATOM 186 CA GLY A 186 53.185 43.165 40.195 1.00 0.00 C ATOM 187 CA LYS A 187 51.235 46.155 38.695 1.00 0.00 C ATOM 188 CA GLY A 188 51.495 49.155 36.285 1.00 0.00 C ATOM 189 CA LYS A 189 51.865 47.805 32.755 1.00 0.00 C ATOM 190 CA ALA A 190 54.105 44.555 32.995 1.00 0.00 C ATOM 191 CA GLY A 191 57.535 43.865 31.145 1.00 0.00 C ATOM 192 CA ARG A 192 61.105 43.455 32.625 1.00 0.00 C ATOM 193 CA VAL A 193 62.025 47.065 31.625 1.00 0.00 C ATOM 194 CA ASP A 194 59.275 48.455 34.005 1.00 0.00 C ATOM 195 CA LEU A 195 59.135 45.485 36.365 1.00 0.00 C ATOM 196 CA VAL A 196 62.615 46.355 37.715 1.00 0.00 C ATOM 197 CA ASP A 197 64.015 44.435 40.715 1.00 0.00 C ATOM 198 CA GLU A 198 67.015 44.895 42.965 1.00 0.00 C ATOM 199 CA SER A 199 69.025 41.725 42.105 1.00 0.00 C ATOM 200 CA GLY A 200 68.025 40.575 38.565 1.00 0.00 C ATOM 201 CA TYR A 201 65.245 38.185 39.605 1.00 0.00 C ATOM 202 CA VAL A 202 62.795 39.315 36.805 1.00 0.00 C ATOM 203 CA SER A 203 64.735 42.255 35.375 1.00 0.00 C ATOM 204 CA GLY A 204 68.105 40.645 34.545 1.00 0.00 C ATOM 205 CA TYR A 205 68.575 37.905 31.865 1.00 0.00 C ATOM 206 CA LYS A 206 72.385 37.465 31.345 1.00 0.00 C ATOM 207 CA HIS A 207 72.385 34.985 34.365 1.00 0.00 C ATOM 208 CA ALA A 208 72.495 31.345 33.185 1.00 0.00 C ATOM 209 CA GLY A 209 71.065 29.905 36.455 1.00 0.00 C ATOM 210 CA THR A 210 68.445 31.175 39.155 1.00 0.00 C ATOM 211 CA TYR A 211 71.165 30.015 41.575 1.00 0.00 C ATOM 212 CA ASP A 212 73.305 33.185 40.605 1.00 0.00 C ATOM 213 CA GLN A 213 71.025 36.105 39.695 1.00 0.00 C ATOM 214 CA LYS A 214 72.485 39.285 37.995 1.00 0.00 C ATOM 215 CA VAL A 215 70.785 42.595 36.895 1.00 0.00 C ATOM 216 CA GLN A 216 72.425 42.555 33.375 1.00 0.00 C ATOM 217 CA GLY A 217 70.965 41.585 30.005 1.00 0.00 C ATOM 218 CA GLY A 218 72.555 39.775 26.965 1.00 0.00 C ATOM 219 CA LYS A 219 73.845 36.035 27.145 1.00 0.00 C TER ENDMDL If you find results from this site helpful for your research, please cite one of our papers:
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