Sun 23 Dec 22:22:50 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir Job ID is set to 2afb-2.0-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2afb-2.0-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2afb-2.0-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2afb-2.0-parrot-hancs Accepted label: fp=FP Accepted label: sigfp=SIGFP Accepted label: phibest=hltofom.Phi_fom.phi Accepted label: fom=hltofom.Phi_fom.fom mtz labels taken: FP SIGFP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Parameter file /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2afb-2.0-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2afb-2.0-parrot-hancs ############### You are running ARP/wARP 8.0 ############### ============================================================ Please cite at least one of the publications below for the ARP/wARP application you are using: Lamzin VS, Wilson KS. (1993) Automated refinement of protein models. Acta Crystallogr D Biol Crystallogr. 49, 129-147 Morris RJ, Perrakis A. Lamzin VS. (2003) ARP/wARP and automatic interpretation of protein electron density maps. In Methods Enzymol. (Carter, C.W. & Sweet, R.M. eds.) 374, 229-244 Langer GG, Hazledine S, Wiegels T, Carolan C, Lamzin VS. (2013) Visual automated macromolecular model building. Acta Crystallogr D Biol Crystallogr. 69, 635-641 Use of Refmac is an essential part of model building with ARP/wARP. Please acknowledge the use of Refmac by citing the following publication: Murshudov GN, Skubak P, Lebedev AA, Pannu NS, Steiner RA, Nicholls RA, Winn MD, Long F, Vagin AA. (2011) REFMAC5 for the refinement of macromolecular crystal structures. Acta Crystallogr D Biol Crystallogr. 67, 355-367 ============================================================ Sun 23 Dec 22:22:59 GMT 2018 You are running ARP/wARP version 8.0 Entering warp_tracing.sh from COMMAND_LINE_SUBMISSION The working directory: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2afb-2.0-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2afb-2.0-parrot-hancs/arp_warp_classic.par ARP/wARP will run in subdirectory: temp_tracing Checking the estimated solvent content Computed solvent content is outside allowed range. Target number of residues/nucleotides is changed to 656 and 0 Target number of residues in the AU: 656 Target solvent content: 0.5159 Checking the provided sequence file Detected sequence length: 351 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 702 Adjusted target solvent content: 0.48 Input MTZ file: 2afb-2.0-parrot-hancs.mtz.cad Column labels for model refinement: FP SIGFP Column labels to obtain initial map: FP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Space group number: 155 Cell parameters: 120.993 120.993 260.300 90.000 90.000 120.000 Input sequence file: 2afb-2.0-parrot-hancs.fasta_lf Building free atoms model in initial map for 5616 target number of atoms Had to go as low as 0.50 sigma, to complete atoms search. ARP/wARP will be iterated with REFMAC5 50 refinement / model update cycles will be run in total. Atoms will be removed below 1.0 sigma in 2mFoDFc map and added above 3.2 sigma in mFoDFc map. Refmac Refinement Parameters 1 REFMAC cycle(s) with 1.0 1.0 fractional shifts damping in each cycle. Conditional restraints will be used Weight for restraints is set to AUTO Solvent mask correction will be used Anisotropic scaling with no bulk solvent correction Model Building Parameters Main chain tracing will take place every 5 refinement / model update cycles. Side chain docking will be performed from autobuilding cycle number 1 NCS extension will be performed at every building cycle. NCS restraints will be applied at each refinement cycle. Loops will be built when appropriate and at the last cycle Resolution range: 97.203 2.050 Wilson plot Bfac: 26.83 45456 reflections ( 98.19 % complete ) and 0 restraints for refining 6194 atoms. Observations/parameters ratio is 1.83 ------------------------------------------------------ Starting model: R = 0.3365 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2835 (Rfree = 0.000) for 6194 atoms. Found 138 (197 requested) and removed 103 (98 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.13 2.19 NCS extension: 0 residues added, 6229 seeds are put forward Round 1: 493 peptides, 54 chains. Longest chain 24 peptides. Score 0.708 Round 2: 563 peptides, 32 chains. Longest chain 44 peptides. Score 0.866 Round 3: 581 peptides, 24 chains. Longest chain 81 peptides. Score 0.899 Round 4: 590 peptides, 18 chains. Longest chain 126 peptides. Score 0.919 Round 5: 598 peptides, 16 chains. Longest chain 115 peptides. Score 0.926 Taking the results from Round 5 Chains 17, Residues 582, Estimated correctness of the model 99.3 % 10 chains (510 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 28 A and 31 A Built loop between residues 43 A and 46 A Built loop between residues 159 A and 164 A Built loop between residues 280 A and 286 A Built loop between residues 31 B and 34 B Built loop between residues 106 B and 109 B 10 chains (598 residues) following loop building 4 chains (527 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 6158 restraints for refining 5593 atoms. 1611 conditional restraints added. Observations/parameters ratio is 2.03 ------------------------------------------------------ Cycle 1: After refmac, R = 0.3230 (Rfree = 0.000) for 5593 atoms. Found 173 (178 requested) and removed 122 (89 requested) atoms. Cycle 2: After refmac, R = 0.2876 (Rfree = 0.000) for 5613 atoms. Found 133 (176 requested) and removed 92 (90 requested) atoms. Cycle 3: After refmac, R = 0.2715 (Rfree = 0.000) for 5587 atoms. Found 108 (173 requested) and removed 81 (90 requested) atoms. Cycle 4: After refmac, R = 0.2594 (Rfree = 0.000) for 5571 atoms. Found 101 (167 requested) and removed 41 (89 requested) atoms. Cycle 5: After refmac, R = 0.2509 (Rfree = 0.000) for 5589 atoms. Found 96 (168 requested) and removed 41 (89 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.09 2.15 NCS extension: 29 residues added (74 deleted due to clashes), 5674 seeds are put forward Round 1: 604 peptides, 13 chains. Longest chain 148 peptides. Score 0.935 Round 2: 611 peptides, 11 chains. Longest chain 154 peptides. Score 0.942 Round 3: 614 peptides, 13 chains. Longest chain 149 peptides. Score 0.938 Round 4: 617 peptides, 11 chains. Longest chain 158 peptides. Score 0.943 Round 5: 618 peptides, 10 chains. Longest chain 205 peptides. Score 0.946 Taking the results from Round 5 Chains 11, Residues 608, Estimated correctness of the model 99.6 % 6 chains (534 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 30 A and 33 A 10 chains (610 residues) following loop building 5 chains (536 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 6075 restraints for refining 5479 atoms. 1516 conditional restraints added. Observations/parameters ratio is 2.07 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2540 (Rfree = 0.000) for 5479 atoms. Found 164 (164 requested) and removed 96 (87 requested) atoms. Cycle 7: After refmac, R = 0.2377 (Rfree = 0.000) for 5531 atoms. Found 95 (162 requested) and removed 54 (88 requested) atoms. Cycle 8: After refmac, R = 0.2271 (Rfree = 0.000) for 5563 atoms. Found 100 (159 requested) and removed 39 (88 requested) atoms. Cycle 9: After refmac, R = 0.2206 (Rfree = 0.000) for 5616 atoms. Found 81 (161 requested) and removed 41 (89 requested) atoms. Cycle 10: After refmac, R = 0.2151 (Rfree = 0.000) for 5648 atoms. Found 111 (158 requested) and removed 36 (90 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.10 2.16 NCS extension: 22 residues added (83 deleted due to clashes), 5748 seeds are put forward Round 1: 621 peptides, 11 chains. Longest chain 172 peptides. Score 0.944 Round 2: 623 peptides, 7 chains. Longest chain 207 peptides. Score 0.953 Round 3: 623 peptides, 6 chains. Longest chain 207 peptides. Score 0.955 Round 4: 619 peptides, 11 chains. Longest chain 165 peptides. Score 0.944 Round 5: 623 peptides, 10 chains. Longest chain 186 peptides. Score 0.947 Taking the results from Round 3 Chains 6, Residues 617, Estimated correctness of the model 99.7 % 5 chains (596 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 255 A and 258 A 5 chains (619 residues) following loop building 4 chains (598 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 5699 restraints for refining 5620 atoms. 818 conditional restraints added. Observations/parameters ratio is 2.02 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2319 (Rfree = 0.000) for 5620 atoms. Found 156 (158 requested) and removed 98 (89 requested) atoms. Cycle 12: After refmac, R = 0.2189 (Rfree = 0.000) for 5665 atoms. Found 140 (156 requested) and removed 86 (90 requested) atoms. Cycle 13: After refmac, R = 0.2141 (Rfree = 0.000) for 5714 atoms. Found 126 (153 requested) and removed 74 (91 requested) atoms. Failed to save intermediate PDB Cycle 14: After refmac, R = 0.2088 (Rfree = 0.000) for 5760 atoms. Found 117 (150 requested) and removed 67 (91 requested) atoms. Cycle 15: After refmac, R = 0.2050 (Rfree = 0.000) for 5801 atoms. Found 116 (148 requested) and removed 68 (92 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.10 2.16 NCS extension: 15 residues added (44 deleted due to clashes), 5866 seeds are put forward Round 1: 619 peptides, 8 chains. Longest chain 172 peptides. Score 0.950 Round 2: 624 peptides, 6 chains. Longest chain 207 peptides. Score 0.955 Round 3: 622 peptides, 8 chains. Longest chain 207 peptides. Score 0.951 Round 4: 622 peptides, 9 chains. Longest chain 184 peptides. Score 0.949 Round 5: 624 peptides, 8 chains. Longest chain 185 peptides. Score 0.951 Taking the results from Round 2 Chains 6, Residues 618, Estimated correctness of the model 99.7 % 6 chains (618 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 255 A and 259 A 5 chains (621 residues) following loop building 5 chains (621 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 5726 restraints for refining 5725 atoms. 732 conditional restraints added. Observations/parameters ratio is 1.98 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2223 (Rfree = 0.000) for 5725 atoms. Found 142 (142 requested) and removed 98 (91 requested) atoms. Cycle 17: After refmac, R = 0.2108 (Rfree = 0.000) for 5758 atoms. Found 110 (140 requested) and removed 65 (92 requested) atoms. Cycle 18: After refmac, R = 0.2053 (Rfree = 0.000) for 5799 atoms. Found 112 (137 requested) and removed 68 (92 requested) atoms. Cycle 19: After refmac, R = 0.2031 (Rfree = 0.000) for 5834 atoms. Found 107 (134 requested) and removed 71 (93 requested) atoms. Cycle 20: After refmac, R = 0.2017 (Rfree = 0.000) for 5864 atoms. Found 117 (131 requested) and removed 75 (93 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.09 2.15 NCS extension: 13 residues added (34 deleted due to clashes), 5920 seeds are put forward Round 1: 620 peptides, 9 chains. Longest chain 172 peptides. Score 0.948 Round 2: 622 peptides, 6 chains. Longest chain 205 peptides. Score 0.955 Round 3: 625 peptides, 7 chains. Longest chain 205 peptides. Score 0.954 Round 4: 623 peptides, 9 chains. Longest chain 184 peptides. Score 0.949 Round 5: 616 peptides, 12 chains. Longest chain 185 peptides. Score 0.941 Taking the results from Round 2 Chains 6, Residues 616, Estimated correctness of the model 99.7 % 5 chains (593 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 255 A and 259 A 5 chains (619 residues) following loop building 4 chains (596 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 5833 restraints for refining 5697 atoms. 963 conditional restraints added. Observations/parameters ratio is 1.99 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2198 (Rfree = 0.000) for 5697 atoms. Found 123 (123 requested) and removed 99 (90 requested) atoms. Cycle 22: After refmac, R = 0.2114 (Rfree = 0.000) for 5710 atoms. Found 120 (120 requested) and removed 51 (91 requested) atoms. Cycle 23: After refmac, R = 0.2059 (Rfree = 0.000) for 5778 atoms. Found 108 (121 requested) and removed 52 (92 requested) atoms. Cycle 24: After refmac, R = 0.2022 (Rfree = 0.000) for 5830 atoms. Found 102 (123 requested) and removed 63 (93 requested) atoms. Cycle 25: After refmac, R = 0.2004 (Rfree = 0.000) for 5863 atoms. Found 97 (120 requested) and removed 65 (93 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.10 2.16 NCS extension: 13 residues added (34 deleted due to clashes), 5910 seeds are put forward Round 1: 621 peptides, 8 chains. Longest chain 172 peptides. Score 0.951 Round 2: 621 peptides, 6 chains. Longest chain 207 peptides. Score 0.955 Round 3: 623 peptides, 9 chains. Longest chain 170 peptides. Score 0.949 Round 4: 625 peptides, 8 chains. Longest chain 184 peptides. Score 0.952 Round 5: 619 peptides, 13 chains. Longest chain 185 peptides. Score 0.940 Taking the results from Round 2 Chains 6, Residues 615, Estimated correctness of the model 99.7 % 5 chains (592 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 253 A and 256 A 5 chains (617 residues) following loop building 4 chains (594 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 5863 restraints for refining 5703 atoms. 1000 conditional restraints added. Observations/parameters ratio is 1.99 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2165 (Rfree = 0.000) for 5703 atoms. Found 113 (113 requested) and removed 98 (91 requested) atoms. Cycle 27: After refmac, R = 0.2077 (Rfree = 0.000) for 5710 atoms. Found 109 (109 requested) and removed 52 (91 requested) atoms. Cycle 28: After refmac, R = 0.2028 (Rfree = 0.000) for 5763 atoms. Found 104 (110 requested) and removed 38 (91 requested) atoms. Cycle 29: After refmac, R = 0.1999 (Rfree = 0.000) for 5826 atoms. Found 73 (111 requested) and removed 70 (92 requested) atoms. Cycle 30: After refmac, R = 0.1972 (Rfree = 0.000) for 5825 atoms. Found 99 (107 requested) and removed 58 (92 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.10 2.16 NCS extension: 14 residues added (22 deleted due to clashes), 5881 seeds are put forward Round 1: 619 peptides, 11 chains. Longest chain 130 peptides. Score 0.944 Round 2: 623 peptides, 8 chains. Longest chain 207 peptides. Score 0.951 Round 3: 621 peptides, 11 chains. Longest chain 172 peptides. Score 0.944 Round 4: 619 peptides, 11 chains. Longest chain 185 peptides. Score 0.944 Round 5: 621 peptides, 11 chains. Longest chain 170 peptides. Score 0.944 Taking the results from Round 2 Chains 9, Residues 615, Estimated correctness of the model 99.7 % 7 chains (607 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 96 A and 101 A Built loop between residues 255 A and 259 A 6 chains (619 residues) following loop building 5 chains (614 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 5798 restraints for refining 5744 atoms. 851 conditional restraints added. Observations/parameters ratio is 1.98 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2152 (Rfree = 0.000) for 5744 atoms. Found 102 (102 requested) and removed 96 (91 requested) atoms. Cycle 32: After refmac, R = 0.2056 (Rfree = 0.000) for 5736 atoms. Found 99 (99 requested) and removed 59 (91 requested) atoms. Cycle 33: After refmac, R = 0.2010 (Rfree = 0.000) for 5770 atoms. Found 96 (96 requested) and removed 40 (92 requested) atoms. Cycle 34: After refmac, R = 0.1975 (Rfree = 0.000) for 5819 atoms. Found 93 (96 requested) and removed 54 (92 requested) atoms. Cycle 35: After refmac, R = 0.1962 (Rfree = 0.000) for 5853 atoms. Found 93 (93 requested) and removed 64 (93 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.10 2.16 NCS extension: 14 residues added (26 deleted due to clashes), 5896 seeds are put forward Round 1: 618 peptides, 8 chains. Longest chain 170 peptides. Score 0.950 Round 2: 624 peptides, 6 chains. Longest chain 207 peptides. Score 0.955 Round 3: 624 peptides, 8 chains. Longest chain 207 peptides. Score 0.951 Round 4: 620 peptides, 10 chains. Longest chain 184 peptides. Score 0.946 Round 5: 623 peptides, 9 chains. Longest chain 185 peptides. Score 0.949 Taking the results from Round 2 Chains 6, Residues 618, Estimated correctness of the model 99.7 % 6 chains (618 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 255 A and 259 A 5 chains (621 residues) following loop building 5 chains (621 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 5722 restraints for refining 5745 atoms. 730 conditional restraints added. Observations/parameters ratio is 1.98 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2145 (Rfree = 0.000) for 5745 atoms. Found 91 (91 requested) and removed 97 (91 requested) atoms. Cycle 37: After refmac, R = 0.2042 (Rfree = 0.000) for 5728 atoms. Found 91 (91 requested) and removed 39 (91 requested) atoms. Cycle 38: After refmac, R = 0.1995 (Rfree = 0.000) for 5773 atoms. Found 92 (92 requested) and removed 38 (92 requested) atoms. Cycle 39: After refmac, R = 0.1968 (Rfree = 0.000) for 5827 atoms. Found 87 (92 requested) and removed 64 (92 requested) atoms. Failed to save intermediate PDB Cycle 40: After refmac, R = 0.1960 (Rfree = 0.000) for 5846 atoms. Found 90 (93 requested) and removed 63 (93 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.10 2.16 NCS extension: 13 residues added (20 deleted due to clashes), 5886 seeds are put forward Round 1: 618 peptides, 10 chains. Longest chain 170 peptides. Score 0.946 Round 2: 625 peptides, 5 chains. Longest chain 207 peptides. Score 0.957 Round 3: 622 peptides, 9 chains. Longest chain 205 peptides. Score 0.949 Round 4: 622 peptides, 9 chains. Longest chain 184 peptides. Score 0.949 Round 5: 616 peptides, 14 chains. Longest chain 97 peptides. Score 0.937 Taking the results from Round 2 Chains 6, Residues 620, Estimated correctness of the model 99.8 % 5 chains (619 residues) have been docked in sequence Building loops using Loopy2018 6 chains (620 residues) following loop building 5 chains (619 residues) in sequence following loop building ------------------------------------------------------ 45456 reflections ( 98.19 % complete ) and 5744 restraints for refining 5752 atoms. 763 conditional restraints added. Observations/parameters ratio is 1.98 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2138 (Rfree = 0.000) for 5752 atoms. Found 91 (91 requested) and removed 97 (91 requested) atoms. Cycle 42: After refmac, R = 0.2040 (Rfree = 0.000) for 5740 atoms. Found 91 (91 requested) and removed 45 (91 requested) atoms. Cycle 43: After refmac, R = 0.1999 (Rfree = 0.000) for 5785 atoms. Found 92 (92 requested) and removed 53 (92 requested) atoms. Cycle 44: After refmac, R = 0.1978 (Rfree = 0.000) for 5823 atoms. Found 85 (92 requested) and removed 55 (92 requested) atoms. Cycle 45: After refmac, R = 0.1955 (Rfree = 0.000) for 5851 atoms. Found 93 (93 requested) and removed 49 (93 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.10 2.16 NCS extension: 12 residues added (22 deleted due to clashes), 5907 seeds are put forward Round 1: 621 peptides, 9 chains. Longest chain 207 peptides. Score 0.949 Round 2: 624 peptides, 7 chains. Longest chain 172 peptides. Score 0.953 Round 3: 621 peptides, 10 chains. Longest chain 184 peptides. Score 0.947 Round 4: 624 peptides, 11 chains. Longest chain 145 peptides. Score 0.945 Round 5: 619 peptides, 10 chains. Longest chain 184 peptides. Score 0.946 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 8, Residues 617, Estimated correctness of the model 99.7 % 7 chains (616 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 183 A and 197 A Built loop between residues 217 A and 228 A Built loop between residues 279 A and 282 A Built loop between residues 44 B and 48 B 3 chains (644 residues) following loop building 3 chains (644 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 45456 reflections ( 98.19 % complete ) and 5179 restraints for refining 5068 atoms. Observations/parameters ratio is 2.24 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2782 (Rfree = 0.000) for 5068 atoms. Found 69 (80 requested) and removed 0 (80 requested) atoms. Cycle 47: After refmac, R = 0.2559 (Rfree = 0.000) for 5068 atoms. Found 42 (81 requested) and removed 3 (81 requested) atoms. Cycle 48: After refmac, R = 0.2475 (Rfree = 0.000) for 5068 atoms. Found 26 (82 requested) and removed 7 (82 requested) atoms. Cycle 49: After refmac, R = 0.2424 (Rfree = 0.000) for 5068 atoms. TimeTaking 105.53