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*** noca_1 ***elNémo ID: 2101080958571613Job options:ID = 2101080958571613 JOBID = noca_1 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 noca_1 REMARK GENERATED BY TRJCONV TITLE Protein in water t= 700600.00000 step= 350300000 REMARK THIS IS A SIMULATION BOX CRYST1 80.271 80.271 80.271 60.00 60.00 90.00 P 1 1 MODEL 1 ATOM 1 CA ALA 2 -30.190 -43.650 164.530 1.00 0.00 C ATOM 2 CA CYS 3 -33.190 -41.280 164.910 1.00 0.00 C ATOM 3 CA PRO 4 -32.100 -37.650 164.850 1.00 0.00 C ATOM 4 CA LEU 5 -32.220 -37.010 168.690 1.00 0.00 C ATOM 5 CA GLU 6 -30.200 -40.220 169.240 1.00 0.00 C ATOM 6 CA LYS 7 -27.880 -38.480 166.800 1.00 0.00 C ATOM 7 CA ALA 8 -27.960 -35.190 168.820 1.00 0.00 C ATOM 8 CA LEU 9 -27.140 -37.020 172.070 1.00 0.00 C ATOM 9 CA ASP 10 -24.190 -39.070 170.640 1.00 0.00 C ATOM 10 CA VAL 11 -22.360 -36.100 168.850 1.00 0.00 C ATOM 11 CA MET 12 -22.960 -33.940 172.010 1.00 0.00 C ATOM 12 CA VAL 13 -20.000 -35.880 173.780 1.00 0.00 C ATOM 13 CA SER 14 -17.610 -36.370 170.720 1.00 0.00 C ATOM 14 CA THR 15 -17.500 -32.660 170.190 1.00 0.00 C ATOM 15 CA PHE 16 -16.380 -32.430 173.820 1.00 0.00 C ATOM 16 CA HIS 17 -13.760 -35.450 173.410 1.00 0.00 C ATOM 17 CA LYS 18 -12.150 -33.670 170.370 1.00 0.00 C ATOM 18 CA TYR 19 -10.970 -30.940 172.980 1.00 0.00 C ATOM 19 CA SER 20 -10.880 -32.680 176.460 1.00 0.00 C ATOM 20 CA GLY 21 -8.730 -35.060 178.500 1.00 0.00 C ATOM 21 CA LYS 22 -5.430 -33.350 177.420 1.00 0.00 C ATOM 22 CA GLU 23 -4.520 -31.980 180.950 1.00 0.00 C ATOM 23 CA GLY 24 -5.820 -34.750 183.250 1.00 0.00 C ATOM 24 CA ASP 25 -9.490 -35.830 183.710 1.00 0.00 C ATOM 25 CA LYS 26 -11.180 -37.080 180.360 1.00 0.00 C ATOM 26 CA PHE 27 -14.520 -35.480 181.540 1.00 0.00 C ATOM 27 CA LYS 28 -12.580 -32.110 181.860 1.00 0.00 C ATOM 28 CA LEU 29 -12.070 -29.350 179.220 1.00 0.00 C ATOM 29 CA ASN 30 -9.740 -26.300 179.370 1.00 0.00 C ATOM 30 CA LYS 31 -11.750 -23.030 179.030 1.00 0.00 C ATOM 31 CA SER 32 -9.610 -21.650 176.070 1.00 0.00 C ATOM 32 CA GLU 33 -10.320 -24.870 174.180 1.00 0.00 C ATOM 33 CA LEU 34 -14.060 -24.530 175.070 1.00 0.00 C ATOM 34 CA LYS 35 -13.800 -21.120 173.290 1.00 0.00 C ATOM 35 CA GLU 36 -12.300 -23.150 170.340 1.00 0.00 C ATOM 36 CA LEU 37 -15.090 -25.850 170.480 1.00 0.00 C ATOM 37 CA LEU 38 -17.930 -23.190 170.430 1.00 0.00 C ATOM 38 CA THR 39 -16.240 -21.360 167.580 1.00 0.00 C ATOM 39 CA ARG 40 -15.280 -24.560 165.430 1.00 0.00 C ATOM 40 CA GLU 41 -17.880 -27.320 165.870 1.00 0.00 C ATOM 41 CA LEU 42 -20.610 -24.660 165.420 1.00 0.00 C ATOM 42 CA PRO 43 -19.110 -22.900 162.300 1.00 0.00 C ATOM 43 CA SER 44 -22.360 -21.260 161.220 1.00 0.00 C ATOM 44 CA PHE 45 -25.280 -22.080 163.670 1.00 0.00 C ATOM 45 CA LEU 46 -24.670 -18.970 166.000 1.00 0.00 C ATOM 46 CA GLY 47 -24.240 -16.710 162.910 1.00 0.00 C ATOM 47 CA LYS 48 -28.140 -16.660 162.690 1.00 0.00 C ATOM 48 CA ARG 49 -31.120 -15.870 165.080 1.00 0.00 C ATOM 49 CA THR 50 -29.060 -14.740 168.090 1.00 0.00 C ATOM 50 CA ASP 51 -27.700 -11.890 170.140 1.00 0.00 C ATOM 51 CA GLU 52 -24.330 -10.830 168.850 1.00 0.00 C ATOM 52 CA ALA 53 -23.700 -9.240 172.370 1.00 0.00 C ATOM 53 CA ALA 54 -24.520 -12.490 174.310 1.00 0.00 C ATOM 54 CA PHE 55 -22.120 -14.340 171.880 1.00 0.00 C ATOM 55 CA GLN 56 -19.230 -11.810 172.360 1.00 0.00 C ATOM 56 CA LYS 57 -19.480 -11.730 176.170 1.00 0.00 C ATOM 57 CA LEU 58 -19.250 -15.520 176.410 1.00 0.00 C ATOM 58 CA MET 59 -16.210 -15.480 174.030 1.00 0.00 C ATOM 59 CA SER 60 -14.390 -13.040 176.390 1.00 0.00 C ATOM 60 CA ASN 61 -15.270 -14.860 179.750 1.00 0.00 C ATOM 61 CA LEU 62 -13.210 -18.060 179.140 1.00 0.00 C ATOM 62 CA ASP 63 -9.690 -17.840 177.800 1.00 0.00 C ATOM 63 CA SER 64 -8.270 -16.160 180.970 1.00 0.00 C ATOM 64 CA ASN 65 -10.530 -16.310 184.050 1.00 0.00 C ATOM 65 CA ARG 66 -10.990 -16.820 187.950 1.00 0.00 C ATOM 66 CA ASP 67 -10.990 -20.600 187.170 1.00 0.00 C ATOM 67 CA ASN 68 -9.820 -22.110 183.980 1.00 0.00 C ATOM 68 CA GLU 69 -11.400 -25.590 183.260 1.00 0.00 C ATOM 69 CA VAL 70 -14.880 -27.180 183.200 1.00 0.00 C ATOM 70 CA ASP 71 -16.340 -30.720 183.770 1.00 0.00 C ATOM 71 CA PHE 72 -19.240 -32.390 181.860 1.00 0.00 C ATOM 72 CA GLN 73 -21.760 -31.840 184.710 1.00 0.00 C ATOM 73 CA GLU 74 -20.800 -28.080 183.930 1.00 0.00 C ATOM 74 CA TYR 75 -20.670 -28.310 180.100 1.00 0.00 C ATOM 75 CA CYS 76 -24.400 -29.220 180.290 1.00 0.00 C ATOM 76 CA VAL 77 -25.070 -25.710 181.830 1.00 0.00 C ATOM 77 CA PHE 78 -23.120 -23.930 179.070 1.00 0.00 C ATOM 78 CA LEU 79 -24.940 -26.330 176.380 1.00 0.00 C ATOM 79 CA SER 80 -28.350 -25.360 177.950 1.00 0.00 C ATOM 80 CA CYS 81 -27.520 -21.660 177.860 1.00 0.00 C ATOM 81 CA ILE 82 -26.220 -21.740 174.190 1.00 0.00 C ATOM 82 CA ALA 83 -29.360 -23.670 173.160 1.00 0.00 C ATOM 83 CA MET 84 -31.840 -21.380 174.960 1.00 0.00 C ATOM 84 CA MET 85 -29.890 -18.340 173.330 1.00 0.00 C ATOM 85 CA CYS 86 -30.560 -19.970 169.850 1.00 0.00 C ATOM 86 CA ASN 87 -34.260 -20.550 170.980 1.00 0.00 C ATOM 87 CA GLU 88 -34.980 -16.970 172.560 1.00 0.00 C ATOM 88 CA PHE 89 -32.310 -14.890 170.580 1.00 0.00 C ATOM 89 CA PHE 90 -30.670 -13.190 173.650 1.00 0.00 C ATOM 90 CA GLU 91 -32.410 -14.840 176.680 1.00 0.00 C ATOM 91 CA GLY 92 -30.160 -17.900 177.180 1.00 0.00 C ATOM 92 CA PHE 93 -27.710 -16.150 179.590 1.00 0.00 C ATOM 93 CA PRO 94 -27.330 -13.130 181.980 1.00 0.00 C ATOM 94 CA ALA 2 -25.140 -27.710 158.810 1.00 0.00 C ATOM 95 CA CYS 3 -22.570 -29.730 160.740 1.00 0.00 C ATOM 96 CA PRO 4 -23.450 -32.520 163.280 1.00 0.00 C ATOM 97 CA LEU 5 -23.570 -30.410 166.570 1.00 0.00 C ATOM 98 CA GLU 6 -25.470 -27.780 164.500 1.00 0.00 C ATOM 99 CA LYS 7 -28.240 -30.450 163.840 1.00 0.00 C ATOM 100 CA ALA 8 -28.050 -31.700 167.480 1.00 0.00 C ATOM 101 CA LEU 9 -28.880 -28.260 169.150 1.00 0.00 C ATOM 102 CA ASP 10 -31.690 -27.980 166.570 1.00 0.00 C ATOM 103 CA VAL 11 -33.590 -31.250 167.310 1.00 0.00 C ATOM 104 CA MET 12 -33.070 -30.470 171.070 1.00 0.00 C ATOM 105 CA VAL 13 -35.480 -27.560 170.390 1.00 0.00 C ATOM 106 CA SER 14 -37.920 -29.170 167.850 1.00 0.00 C ATOM 107 CA THR 15 -38.350 -32.300 169.910 1.00 0.00 C ATOM 108 CA PHE 16 -39.060 -30.080 172.950 1.00 0.00 C ATOM 109 CA HIS 17 -41.510 -27.900 170.910 1.00 0.00 C ATOM 110 CA LYS 18 -43.300 -31.280 170.120 1.00 0.00 C ATOM 111 CA TYR 19 -44.400 -31.850 173.740 1.00 0.00 C ATOM 112 CA SER 20 -44.020 -28.520 175.500 1.00 0.00 C ATOM 113 CA GLY 21 -47.040 -26.240 176.020 1.00 0.00 C ATOM 114 CA LYS 22 -50.680 -26.420 174.690 1.00 0.00 C ATOM 115 CA GLU 23 -51.460 -22.720 174.060 1.00 0.00 C ATOM 116 CA GLY 24 -48.100 -21.480 172.700 1.00 0.00 C ATOM 117 CA ASP 25 -46.640 -22.120 176.210 1.00 0.00 C ATOM 118 CA LYS 26 -43.790 -24.150 174.600 1.00 0.00 C ATOM 119 CA PHE 27 -41.300 -22.740 177.360 1.00 0.00 C ATOM 120 CA LYS 28 -41.870 -25.800 179.560 1.00 0.00 C ATOM 121 CA LEU 29 -42.700 -29.530 179.410 1.00 0.00 C ATOM 122 CA ASN 30 -44.930 -31.710 181.660 1.00 0.00 C ATOM 123 CA LYS 31 -42.800 -34.520 183.370 1.00 0.00 C ATOM 124 CA SER 32 -45.400 -37.110 182.180 1.00 0.00 C ATOM 125 CA GLU 33 -44.840 -35.840 178.460 1.00 0.00 C ATOM 126 CA LEU 34 -41.040 -35.880 179.070 1.00 0.00 C ATOM 127 CA LYS 35 -41.760 -39.520 179.770 1.00 0.00 C ATOM 128 CA GLU 36 -43.500 -39.820 176.300 1.00 0.00 C ATOM 129 CA LEU 37 -40.430 -37.920 174.810 1.00 0.00 C ATOM 130 CA LEU 38 -38.030 -40.470 176.270 1.00 0.00 C ATOM 131 CA THR 39 -39.930 -43.630 175.090 1.00 0.00 C ATOM 132 CA ARG 40 -40.960 -42.130 171.650 1.00 0.00 C ATOM 133 CA GLU 41 -37.880 -40.050 170.580 1.00 0.00 C ATOM 134 CA LEU 42 -34.940 -42.160 171.780 1.00 0.00 C ATOM 135 CA PRO 43 -36.070 -45.750 171.030 1.00 0.00 C ATOM 136 CA SER 44 -32.600 -47.490 171.390 1.00 0.00 C ATOM 137 CA PHE 45 -30.390 -44.800 172.990 1.00 0.00 C ATOM 138 CA LEU 46 -31.840 -45.330 176.500 1.00 0.00 C ATOM 139 CA GLY 47 -30.470 -48.880 176.400 1.00 0.00 C ATOM 140 CA LYS 48 -26.960 -47.360 175.450 1.00 0.00 C ATOM 141 CA ARG 49 -26.500 -46.450 179.170 1.00 0.00 C ATOM 142 CA THR 50 -22.940 -47.380 180.400 1.00 0.00 C ATOM 143 CA ASP 51 -23.900 -47.080 184.210 1.00 0.00 C ATOM 144 CA GLU 52 -27.160 -48.040 186.080 1.00 0.00 C ATOM 145 CA ALA 53 -26.750 -46.140 189.410 1.00 0.00 C ATOM 146 CA ALA 54 -27.050 -43.230 187.000 1.00 0.00 C ATOM 147 CA PHE 55 -30.430 -44.600 185.700 1.00 0.00 C ATOM 148 CA GLN 56 -31.600 -45.230 189.340 1.00 0.00 C ATOM 149 CA LYS 57 -30.660 -41.540 190.160 1.00 0.00 C ATOM 150 CA LEU 58 -32.210 -40.010 186.950 1.00 0.00 C ATOM 151 CA MET 59 -35.410 -42.140 187.140 1.00 0.00 C ATOM 152 CA SER 60 -35.870 -40.820 190.780 1.00 0.00 C ATOM 153 CA ASN 61 -36.150 -37.330 189.210 1.00 0.00 C ATOM 154 CA LEU 62 -39.470 -38.680 187.610 1.00 0.00 C ATOM 155 CA ASP 63 -40.790 -39.480 191.160 1.00 0.00 C ATOM 156 CA SER 64 -43.810 -37.920 193.070 1.00 0.00 C ATOM 157 CA ASN 65 -41.570 -36.140 195.600 1.00 0.00 C ATOM 158 CA ARG 66 -40.350 -33.860 192.720 1.00 0.00 C ATOM 159 CA ASP 67 -41.440 -30.810 190.440 1.00 0.00 C ATOM 160 CA ASN 68 -44.100 -31.670 187.680 1.00 0.00 C ATOM 161 CA GLU 69 -42.230 -29.810 184.850 1.00 0.00 C ATOM 162 CA VAL 70 -38.950 -29.080 183.060 1.00 0.00 C ATOM 163 CA ASP 71 -38.230 -25.740 181.310 1.00 0.00 C ATOM 164 CA PHE 72 -35.500 -25.620 178.630 1.00 0.00 C ATOM 165 CA GLN 73 -32.620 -24.730 181.240 1.00 0.00 C ATOM 166 CA GLU 74 -33.290 -27.990 183.150 1.00 0.00 C ATOM 167 CA TYR 75 -34.560 -30.090 180.170 1.00 0.00 C ATOM 168 CA CYS 76 -31.370 -29.370 178.020 1.00 0.00 C ATOM 169 CA VAL 77 -29.350 -30.570 181.070 1.00 0.00 C ATOM 170 CA PHE 78 -31.580 -33.750 181.540 1.00 0.00 C ATOM 171 CA LEU 79 -30.840 -34.950 177.960 1.00 0.00 C ATOM 172 CA SER 80 -27.200 -33.880 178.170 1.00 0.00 C ATOM 173 CA CYS 81 -27.020 -36.190 181.360 1.00 0.00 C ATOM 174 CA ILE 82 -28.320 -38.970 179.090 1.00 0.00 C ATOM 175 CA ALA 83 -25.810 -38.220 176.400 1.00 0.00 C ATOM 176 CA MET 84 -22.790 -38.730 178.780 1.00 0.00 C ATOM 177 CA MET 85 -24.480 -41.580 180.690 1.00 0.00 C ATOM 178 CA CYS 86 -24.690 -43.380 177.410 1.00 0.00 C ATOM 179 CA ASN 87 -21.110 -42.480 176.250 1.00 0.00 C ATOM 180 CA GLU 88 -18.430 -45.340 176.060 1.00 0.00 C ATOM 181 CA PHE 89 -16.000 -43.900 178.590 1.00 0.00 C ATOM 182 CA PHE 90 -18.420 -43.470 181.410 1.00 0.00 C ATOM 183 CA GLU 91 -17.530 -44.660 184.970 1.00 0.00 C ATOM 184 CA GLY 92 -20.810 -43.520 186.540 1.00 0.00 C ATOM 185 CA PHE 93 -21.600 -40.130 188.360 1.00 0.00 C ATOM 186 CA PRO 94 -19.340 -39.230 191.380 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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