April 2003 - modeller_usage

Problen to run modeller
by JP 16 Apr '03

16 Apr '03

I have the next problem, I execute "mod6v2 model-default.top" into directory "tutorial-model" and execute correctly but the execute the next file obtain error I have this alignment file: ******-----------------------**** my alignment file is: >P1;1ety structureX:1ety:6:B:98:B:::: VNSDVLTVSTVNSQDQVTQKPLRDSVKQALKNYFAQLNGQDVNDLYELVLAEVE QPLLDMVMQYTRGNQTRAALMMGINRGTLRKKLKKYGMN* >P1;sec1 sequence:sec1:1::93::::: VNSDVLTVSTVNSQAQVTQKPLRDSVKQALKNYFAQLNGQDVSDLYELVLAEVE QPLLDMVMQYTRGNQTRAALMMGINRGTLRKKLKKYGMN* *****------------------------------------------------------------------------** and the log file is: my log file is: Kind, OS, HostName, Kernel, Processor: 4, Linux bioinf4 2.4.19-4GB i686 Date and time of compilation : 07/16/2002 11:42:16 Job starting time (YY/MM/DD HH:MM:SS): 2003/04/16 11:55:50.106 TOP_________> 105 705 SET ALNFILE = 'alignment.ali' TOP_________> 106 706 SET KNOWNS = '1ety' TOP_________> 107 707 SET SEQUENCE = 'sec1' TOP_________> 108 708 SET ATOM_FILES_DIRECTORY = '/data1' TOP_________> 109 709 SET STARTING_MODEL = 1 TOP_________> 110 710 SET ENDING_MODEL = 1 TOP_________> 111 711 CALL ROUTINE = 'model' TOP_________> 112 399 CALL ROUTINE = 'getnames' TOP_________> 113 509 STRING_IF STRING_ARGUMENTS = MODEL 'undefined', OPERATION; = 'EQ', THEN = 'STRING_OPERATE OPERATION = CONCATENA; TE, STRING_ARGUMENTS = SEQUENCE .ini, RESULT = MODEL' TOP_________> 114 510 STRING_IF STRING_ARGUMENTS = CSRFILE 'undefined', OPERATI; ON = 'EQ', THEN = 'STRING_OPERATE OPERATION = CONCATE; NATE, STRING_ARGUMENTS = SEQUENCE .rsr, RESULT = CSRFILE; ' TOP_________> 115 511 STRING_OPERATE OPERATION = 'CONCATENATE', ; STRING_ARGUMENTS = SEQUENCE '.sch', RESULT = SCHFILE TOP_________> 116 512 STRING_OPERATE OPERATION = 'CONCATENATE', ; STRING_ARGUMENTS = SEQUENCE '.mat', RESULT = MATRIX_FI; LE TOP_________> 117 513 SET ROOT_NAME = SEQUENCE TOP_________> 118 514 RETURN TOP_________> 119 400 CALL ROUTINE = 'homcsr' TOP_________> 120 106 READ_ALIGNMENT FILE = ALNFILE, ALIGN_CODES = KNOWNS SEQUE; NCE Dynamically allocated memory at amaxseq [B,kB,MB]: 2205269 2153.583 2.103 openf5__224_> Open 11 OLD SEQUENTIAL alignment.ali rdpir___270E> Error reading/processing file: alignment.ali recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1 Dynamically allocated memory at finish [B,kB,MB]: 2205269 2153.583 2.103 Starting time : 2003/04/16 11:55:50.106 Closing time : 2003/04/16 11:55:53.073 Total CPU time [seconds] : 2.91 ************----------------------------------------------****************************** what is a problem?, I have some problem in alignment file..? Thaks...

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FW: problem with modeller6v2,(.pdb attached)
by Modeller Care 11 Apr '03

11 Apr '03

Forwarded to modeller_usage by the list owner ------ Forwarded Message From: luciana(a)org.chemie.tu-muenchen.de Date: Fri, 11 Apr 2003 17:18:33 +0200 (CEST) To: modeller-care(a)salilab.org Subject: Fwd: problem with modeller6v2,(.pdb attached) hi everybody, I am a new user of modeller6v2. I am trying to build a bidomain protein (avb5) I have the xray structure of one very similar(avb3), they have one subunit in common while the b is different.I could build just the b5 and assemble it with the av, but I want to build the two subunit together as in the next step I want to include the ligand which bind in the interface between the two subunits, this because i want to model a big loop which is upon the binding site and I think that the presence of the ligand could help the refinement of the loop in a proper conformation as this loop is responsible for the specificity. I followed the example which you give in the case you want to build a chimera protein so my allingment is : >P1;1L5G_Av_aa1-437 structureX:1L5G_Av_aa1-437.pdb:1::437::::0.00:0.00 FNLDVDSPAEYSGPEGSYFGFAVDFFVPSASSRMFLLVGAPKANTTQPGIVEGGQVLKCDWSSTRRCQPIEFDATG NRDYAKDDPLEFKSHQWFGASVRSKQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDADGQ GFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSIKYNNQLATRTAQAIFDDSYLGYSVAV GDFNGDGIDDFVSGVPRAARTLGMVYIYDGKNMSSLYNFTGEQMAAYFGFSVAATDINGDDYADVFIGAPLFMDRG SDGKLQEVGQVSVSLQRASGDFQTTKLNGFEVFARFGSAIAPLGDLDQDGFNDIAIAAPYGGEDKKGIVYIFNGRS TGLNAVPSQILEGQWAARSMPPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRA------------------- ---------------------------------------------------------------------------- ---------------------------------------------------------------------------- ---------------------------------------------------------------------------* >P1;1L5G_B3_aa109-352 structureX:1L5G_B3_aa109-352.pdb:109::352::::0.00:0.00 ---------------------------------------------------------------------------- ---------------------------------------------------------------------------- ---------------------------------------------------------------------------- ---------------------------------------------------------------------------- ---------------------------------------------------------------------------- ---------------------------------------------------------DYPVDIYYLMDLSYSMKDD LWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPC--YDMKTTCLPMFGYKHVLTLTDQVT RFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGS DNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIR* >P1;integrin_beta5 sequence::::::SEQ::0.00:0.00 FNLDVDSPAEYSGPEGSYFGFAVDFFVPSASSRMFLLVGAPKANTTQPGIVEGGQVLKCDWSSTRRCQPIEFDATG NRDYAKDDPLEFKSHQWFGASVRSKQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDADGQ GFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSIKYNNQLATRTAQAIFDDSYLGYSVAV GDFNGDGIDDFVSGVPRAARTLGMVYIYDGKNMSSLYNFTGEQMAAYFGFSVAATDINGDDYADVFIGAPLFMDRG SDGKLQEVGQVSVSLQRASGDFQTTKLNGFEVFARFGSAIAPLGDLDQDGFNDIAIAAPYGGEDKKGIVYIFNGRS TGLNAVPSQILEGQWAARSMPPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRADYPVDLYYLMDLSLSMKDD LDNIRSLGTKLAEEMRKLTSNFRLGFGSFVDKDISPFSYTAP-RYQTNPCIGYKLFPNCVPSFGFRHLLPLTDRVD SFNEEVRKQRVSRNRDAPEGGFDAVLQAAVCKEKIGWRKDALHLLVFTTDDVPHIALDGKLGGLVQPHDGQCHLNE ANEYTASNQMDYPSLALLGEKLAENNINLIFAVTKNHYMLYKNFTALIPGTTVEILDGDSKNIIQLIINAYNSIR* ****the .top is the model-default, just to try the alignment, I have in mind to modify it for the loop refinement. # Homology modelling by the MODELLER TOP routine 'model'. INCLUDE # Include the predefined TOP routines SET OUTPUT_CONTROL = 1 1 1 1 2 # uncomment to produce a large log file SET ALNFILE = 'beta5.ali' # alignment filename SET KNOWNS = '1L5G_Av_aa1-437''1L5G_B3_aa109-352' # codes of the templates SET SEQUENCE = 'integrin_beta5' # code of the target SET ATOM_FILES_DIRECTORY = './:../atom_files' # directories for input atom files SET STARTING_MODEL= 1 # index of the first model SET ENDING_MODEL = 1 # index of the last model # (determines how many models to calculate) CALL ROUTINE = 'model' # do homology modelling ******the file in the directory are: 1L5G_Av_aa1-437.pdb integrin_beta5.ini 1L5G_B3_aa109-352.pdb integrin_beta5.rsr WBLOGFILE integrin_beta5.sch beta5.ali model-default.log integrin_beta5.D00000001 model-default.top integrin_beta5.V99990001 *********my problem is that the calculation stops giving a core : lib-4190 : UNRECOVERABLE library error A numeric input field contains an invalid character. Encountered during a list-directed READ from an internal file (character variable) IOT Trap /usr/people/luci/bin/modeller6v2/bin/mod6v2[38]: 21472 Abort(coredump) ******in the .log you find no error: itacsr I 1 7 1 10 70 280 iatt I 1 10 10 40 ipacsr I 1 10 10 40 iapairs I 1 2 1 1 2 8 iarsr2 I 1 50 1 50 2500 10000 iarsr I 1 50 50 200 indcsr I 1 128340 128340 513360 pcsr R 1 2566800 2566800 10267200 pacsr R 1 10 10 40 iatsym1 I 1 8556 8556 34224 iatsym2 I 1 8556 8556 34224 wghsym R 1 8556 8556 34224 Dynamically allocated memory at amprmcns [B,kB,MB]: 29049215 28368.375 27.703 openf5__224_> Open 11 OLD SEQUENTIAL integrin_beta5.rsr openf5__224_> Open 11 OLD SEQUENTIAL integrin_beta5.rsr ***it seem like the template .pdb are wrong, but I can't find any error in them, the strange thing is that with the same pdb input once the calculation finished giving one subunit well superimposable, the other subunit not, so I thouth that it might due to an error in the alignment of the second subunit so i have done again the alignment and this time I get the core...what happen? is my protein too big? in total it is made up by around 700 aa, sometime the calculation works and sometime not. very often I got the same core also when i model only one subunit, I really don't understand on what depends. Previouly, I used the version4 for building only one subunit but I never had this problem, every thing went rigth with the version4, if I use the same directory which was successful with version4 it fails with version 6v2. is it possible that this is a problem of this last version? thanks in advance and sorry if I bother you ----- End forwarded message -----

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B-factor
by christopher wells 10 Apr '03

10 Apr '03

I saw a previous post that asked the question, but did not see any reply. For the .ini files that can be outputted for the template, do the values in the B-factor column correspond to B-factor or flexibility of the restraints or something else entirely? I am comparing two templates and would like to know if there is some information in that column and how I could use it. Thanks for your assistance. christopher wells md/phd student department of pharmacology medical university of south carolina

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Question regarding rigid body constrained to the Fe in a heme group
by Modeller Care 10 Apr '03

10 Apr '03

non-member submission forwarded by the listowner ------------------------------------------------------------------- Is it possible to set constraints between the iron in a heme group in a protein and a ligand as a BLK ? They are not cocrystalized nor docked. I try to do it this way; my_alignment.ali >P1;template_protein.pdb structureX:protein : 2 : :14 : ::: : PSYQLCFIPIHH-----------h----/-* >P1;ligand.pdb structureX:ligand: 1 : :1 : :ligand:NMR: : -----------------------h----/.* >P1;sequence_target sequence:CYP2C9: 1 : : 13: ::: : PFYQLCFIPV-------------h----/.* and then # Homology modelling by the MODELLER TOP routine 'model'. INCLUDE # Include the predefined TOP routines SET OUTPUT_CONTROL = 1 1 1 1 2 # uncomment to produce a large log file SET ALNFILE = 'my_alignment.ali' # alignment filename SET KNOWNS = 'my_protein' 'my_ligand' # codes of the templates SET SEQUENCE = 'my_sequence' # code of the target SET HETATM_IO = on SET STARTING_MODEL = 1 # index of the first model SET ENDING_MODEL = 5 # index of the last model # (determines how many models to calculate) CALL ROUTINE = 'model' # do homology modelling SUBROUTINE ROUTINE = 'special_restraints' ADD_RESTRAINT ATOM_IDS = 'FE : 501' 'H26 : 1' , ; RESTRAINT_PARAMETERS = 2 1 1 22 2 2 0 4.0 0.4 ADD_RESTRAINT ATOM_IDS = 'FE : 501' 'H25 : 1' , ; RESTRAINT_PARAMETERS = 2 1 1 22 2 2 0 4.0 0.2 ADD_RESTRAINT ATOM_IDS = 'FE : 501' 'H24 : 1' , ; RESTRAINT_PARAMETERS = 2 1 1 22 2 2 0 4.0 0.1 ADD_RESTRAINT ATOM_IDS = 'FE : 501' 'H22 : 1' , ; RESTRAINT_PARAMETERS = 2 1 1 22 2 2 0 4.0 0.1 ADD_RESTRAINT ATOM_IDS = 'FE : 501' 'H23 : 1' , ; RESTRAINT_PARAMETERS = 2 1 1 22 2 2 0 4.0 0.05 RETURN END_SUBROUTINE I would very much appreciate some help ! Best Regards Lovisa ------ End of Forwarded Message

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None
by Gowthaman R 09 Apr '03

09 Apr '03

HI List, I have some queries regarding the use of modeller Can we model some designed peptide motifs such as HTH( 20 amino acid residues) using modeller and the known HTH motifs in the database? Can we use Aib( alpha amino isobutyric acid)or any other unnatural amino acid in the designed peptides and model it using modeller? waiting for your reply thanks

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what is NICE in mod6v2?
by Cheri M Turman 09 Apr '03

09 Apr '03

I received this error message "./mod6v2: line 38: mod6v2_: command not found" I looked in the mod6v2 script and line 38 calls on $NICE. In the script, "NICE=". What should NICE be equal to? Thanks, Cheri Turman ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Cheri M. Turman Graduate Student University of Texas-Houston Medical School 6431 Fannin Houston, TX 77030 e-mail: cheri.m.turman(a)uth.tmc.edu Ph.: 713-500-6126 Fax: 713-500-0652

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Odd behavior when reading an alignment referring to a PDB file with a HEATM record when chain ID is '.'
by Modeller Care 08 Apr '03

08 Apr '03

non-member submission forwarded by the listowner -------------------------------------------------------------------- Hi, I am modelling sequences using SCOP domains as the templates. However, some percent of my modellings fail. I inspected the input and output files, and found an odd behavior. In particular, when the SCOP domain has a HETATM record (I have HETATM_IO turned on), then I cannot use a PIR alignment file that specifies the chain ID as '.'; I must use the exact chain ID in the SCOP PDB file. Please see the attached files. When I run modeller on the seq2.top file, I get the following message. When I change the test2.pir file so the chain ID is 'A' instead of '.' it works OK. This is no major inconvenience, it's just somewhat confusing to me. rdpir___648E> Alignment sequence not found in PDB file: 1 ./d1qmva_.ent recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1 --------------030706000909090505050206 Content-Type: text/plain; name="seq2.top" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="seq2.top" SET HETATM_IO on READ_ALIGNMENT FILE='test2.pir', ALIGN_CODES='d1qmva_' --------------030706000909090505050206 Content-Type: text/plain; name="test2.pir" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="test2.pir" >P1;d1qmva_ structureX:d1qmva_:FIRST:.:LAST:.:undefined:undefined:-1.0:-1.0 SGNARIGKPAPDFKATAVVDGAFKEVKLSDYKGKYVVLFFYPLDFTFVpPTEIIAFSNRAEDFRKLGCEVLGVSV DSQFTHLAWINTPRKEGGLGPLNIPLLADVTRRLSEDYGVLKTDEGIAYRGLFIIDGKGVLRQITVNDLPVGRSV DEALRLVQAFQYTDEHGEVCPAGWKPGSDTIKPNVDDSKEYFSKHN* --------------030706000909090505050206 Content-Type: text/html; charset=ISO-8859-1; name="d1qmva_.ent" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="d1qmva_.ent" <!doctype html public "-//w3c//dtd html 4.0 transitional//en"> <html> <head> <meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1"> <meta name="description" content="PDB-style file"> <meta name="keywords" content="PDB-style file"> <title>PDB-style file</title> </head> <body> <pre>HEADER SCOP/ASTRAL domain d1qmva_ [33066] 06-NOV-02 0000 REMARK 99 REMARK 99 SCOP-sid: d1qmva_ REMARK 99 SCOP-sun: 33066 REMARK 99 ASTRAL-version: 1.61 REMARK 99 SCOP-sccs: c.47.1.10 REMARK 99 Source-PDB: 1qmv REMARK 99 Source-PDB-REVDAT: 28-JUL-00 REMARK 99 Region: a: ATOM 9 N SER A 3 23.686 -8.801 74.262 1.00 37.96 N ATOM 10 CA SER A 3 22.702 -8.922 75.335 1.00 37.12 C ATOM 11 C SER A 3 21.771 -7.699 75.319 1.00 31.34 C ATOM 12 O SER A 3 22.175 -6.646 75.817 1.00 34.42 O ATOM 13 CB SER A 3 23.346 -9.062 76.711 1.00 38.84 C ATOM 14 OG SER A 3 22.402 -9.616 77.626 1.00 39.26 O ATOM 15 N GLY A 4 20.567 -7.759 74.805 1.00 33.49 N ATOM 16 CA GLY A 4 19.656 -6.602 74.803 1.00 35.37 C ATOM 17 C GLY A 4 20.206 -5.511 73.893 1.00 35.33 C ATOM 18 O GLY A 4 20.215 -5.725 72.684 1.00 38.61 O ATOM 19 N ASN A 5 20.596 -4.357 74.398 1.00 31.70 N ATOM 20 CA ASN A 5 21.294 -3.355 73.585 1.00 34.48 C ATOM 21 C ASN A 5 22.785 -3.494 73.880 1.00 35.18 C ATOM 22 O ASN A 5 23.604 -2.736 73.344 1.00 40.43 O ATOM 23 CB ASN A 5 20.853 -1.918 73.862 1.00 39.45 C ATOM 24 CG ASN A 5 19.434 -1.664 73.370 1.00 45.21 C ATOM 25 OD1 ASN A 5 19.086 -2.139 72.283 1.00 43.68 O ATOM 26 ND2 ASN A 5 18.605 -0.965 74.133 1.00 38.39 N ATOM 27 N ALA A 6 23.164 -4.467 74.713 1.00 30.72 N ATOM 28 CA ALA A 6 24.580 -4.628 75.071 1.00 36.13 C ATOM 29 C ALA A 6 25.254 -5.546 74.049 1.00 34.18 C ATOM 30 O ALA A 6 24.784 -6.638 73.715 1.00 40.96 O ATOM 31 CB ALA A 6 24.791 -5.107 76.489 1.00 37.50 C ATOM 32 N ARG A 7 26.289 -4.989 73.430 1.00 33.34 N ATOM 33 CA ARG A 7 27.054 -5.696 72.409 1.00 28.87 C ATOM 34 C ARG A 7 28.554 -5.568 72.661 1.00 24.25 C ATOM 35 O ARG A 7 29.055 -4.471 72.913 1.00 28.49 O ATOM 36 CB ARG A 7 26.758 -5.131 71.002 1.00 34.85 C ATOM 37 CG ARG A 7 25.335 -5.324 70.506 1.00 44.30 C ATOM 38 CD ARG A 7 25.253 -5.406 68.987 1.00 60.62 C ATOM 39 NE ARG A 7 26.075 -6.474 68.461 1.00 63.84 N ATOM 40 CZ ARG A 7 25.875 -7.659 67.938 1.00 62.19 C ATOM 41 NH1 ARG A 7 24.683 -8.194 67.718 1.00 62.47 N ATOM 42 NH2 ARG A 7 26.946 -8.380 67.595 1.00 55.51 N ATOM 43 N ILE A 8 29.211 -6.698 72.743 1.00 25.84 N ATOM 44 CA ILE A 8 30.665 -6.749 72.867 1.00 29.90 C ATOM 45 C ILE A 8 31.315 -5.952 71.729 1.00 34.16 C ATOM 46 O ILE A 8 30.863 -5.974 70.584 1.00 32.49 O ATOM 47 CB ILE A 8 31.187 -8.186 72.894 1.00 29.67 C ATOM 48 CG1 ILE A 8 30.558 -8.931 74.065 1.00 32.47 C ATOM 49 CG2 ILE A 8 32.723 -8.237 72.930 1.00 30.34 C ATOM 50 CD1 ILE A 8 31.281 -9.931 74.877 1.00 31.94 C ATOM 51 N GLY A 9 32.256 -5.089 72.085 1.00 33.33 N ATOM 52 CA GLY A 9 32.952 -4.252 71.122 1.00 35.79 C ATOM 53 C GLY A 9 32.306 -2.911 70.868 1.00 37.64 C ATOM 54 O GLY A 9 32.875 -2.077 70.150 1.00 38.08 O ATOM 55 N LYS A 10 31.130 -2.626 71.437 1.00 34.85 N ATOM 56 CA LYS A 10 30.517 -1.298 71.229 1.00 33.96 C ATOM 57 C LYS A 10 30.341 -0.655 72.596 1.00 36.51 C ATOM 58 O LYS A 10 30.475 -1.353 73.610 1.00 33.05 O ATOM 59 CB LYS A 10 29.204 -1.484 70.468 1.00 46.27 C ATOM 60 CG LYS A 10 29.425 -1.616 68.961 1.00 53.92 C ATOM 61 CD LYS A 10 28.817 -2.885 68.394 1.00 54.37 C ATOM 62 CE LYS A 10 29.492 -3.197 67.054 1.00 58.05 C ATOM 63 NZ LYS A 10 28.993 -4.482 66.484 1.00 60.86 N ATOM 64 N PRO A 11 30.115 0.647 72.652 1.00 36.16 N ATOM 65 CA PRO A 11 29.896 1.347 73.903 1.00 34.44 C ATOM 66 C PRO A 11 28.737 0.682 74.660 1.00 33.02 C ATOM 67 O PRO A 11 27.700 0.324 74.094 1.00 31.52 O ATOM 68 CB PRO A 11 29.545 2.769 73.514 1.00 36.38 C ATOM 69 CG PRO A 11 30.141 2.917 72.137 1.00 38.46 C ATOM 70 CD PRO A 11 29.945 1.560 71.489 1.00 39.08 C ATOM 71 N ALA A 12 29.024 0.440 75.943 1.00 34.55 N ATOM 72 CA ALA A 12 27.994 -0.183 76.800 1.00 32.80 C ATOM 73 C ALA A 12 26.837 0.791 76.892 1.00 33.78 C ATOM 74 O ALA A 12 27.047 1.999 76.866 1.00 33.70 O ATOM 75 CB ALA A 12 28.635 -0.469 78.152 1.00 30.81 C ATOM 76 N PRO A 13 25.612 0.280 76.988 1.00 34.99 N ATOM 77 CA PRO A 13 24.441 1.117 77.135 1.00 36.02 C ATOM 78 C PRO A 13 24.652 2.022 78.343 1.00 36.52 C ATOM 79 O PRO A 13 25.060 1.586 79.440 1.00 35.08 O ATOM 80 CB PRO A 13 23.284 0.141 77.283 1.00 35.01 C ATOM 81 CG PRO A 13 23.790 -1.142 76.727 1.00 36.65 C ATOM 82 CD PRO A 13 25.271 -1.159 77.034 1.00 31.20 C ATOM 83 N ASP A 14 24.425 3.325 78.127 1.00 35.89 N ATOM 84 CA ASP A 14 24.598 4.262 79.223 1.00 37.43 C ATOM 85 C ASP A 14 23.482 4.050 80.249 1.00 40.33 C ATOM 86 O ASP A 14 22.422 3.489 79.951 1.00 36.88 O ATOM 87 CB ASP A 14 24.573 5.716 78.790 1.00 39.70 C ATOM 88 CG ASP A 14 25.207 6.660 79.779 1.00 39.60 C ATOM 89 OD1 ASP A 14 25.815 6.264 80.804 1.00 42.23 O ATOM 90 OD2 ASP A 14 25.111 7.889 79.547 1.00 54.68 O ATOM 91 N PHE A 15 23.742 4.546 81.467 1.00 41.18 N ATOM 92 CA PHE A 15 22.675 4.408 82.470 1.00 44.37 C ATOM 93 C PHE A 15 22.827 5.478 83.542 1.00 45.01 C ATOM 94 O PHE A 15 23.932 5.940 83.802 1.00 47.82 O ATOM 95 CB PHE A 15 22.659 2.997 83.052 1.00 37.29 C ATOM 96 CG PHE A 15 23.915 2.502 83.695 1.00 40.15 C ATOM 97 CD1 PHE A 15 24.301 2.941 84.957 1.00 46.15 C ATOM 98 CD2 PHE A 15 24.723 1.587 83.050 1.00 41.68 C ATOM 99 CE1 PHE A 15 25.471 2.494 85.533 1.00 44.24 C ATOM 100 CE2 PHE A 15 25.900 1.134 83.605 1.00 36.83 C ATOM 101 CZ PHE A 15 26.274 1.588 84.862 1.00 50.93 C ATOM 102 N LYS A 16 21.703 5.843 84.131 1.00 44.03 N ATOM 103 CA LYS A 16 21.658 6.759 85.262 1.00 39.49 C ATOM 104 C LYS A 16 20.749 6.050 86.291 1.00 34.64 C ATOM 105 O LYS A 16 19.737 5.453 85.876 1.00 39.88 O ATOM 106 CB LYS A 16 21.079 8.117 84.892 1.00 38.29 C ATOM 107 CG LYS A 16 21.497 9.233 85.834 1.00 49.09 C ATOM 108 CD LYS A 16 20.592 10.453 85.721 1.00 57.60 C ATOM 109 CE LYS A 16 21.052 11.521 86.717 1.00 66.71 C ATOM 110 NZ LYS A 16 19.918 12.325 87.255 1.00 65.72 N ATOM 111 N ALA A 17 21.133 6.020 87.547 1.00 32.89 N ATOM 112 CA ALA A 17 20.273 5.382 88.538 1.00 34.14 C ATOM 113 C ALA A 17 20.505 5.930 89.933 1.00 32.60 C ATOM 114 O ALA A 17 21.624 6.289 90.273 1.00 31.27 O ATOM 115 CB ALA A 17 20.571 3.879 88.564 1.00 32.29 C ATOM 116 N THR A 18 19.437 5.903 90.757 1.00 29.08 N ATOM 117 CA THR A 18 19.665 6.268 92.166 1.00 24.98 C ATOM 118 C THR A 18 20.293 5.038 92.810 1.00 24.58 C ATOM 119 O THR A 18 19.853 3.913 92.528 1.00 29.77 O ATOM 120 CB THR A 18 18.328 6.573 92.847 1.00 28.20 C ATOM 121 OG1 THR A 18 17.625 7.601 92.124 1.00 31.82 O ATOM 122 CG2 THR A 18 18.545 6.933 94.311 1.00 31.42 C ATOM 123 N ALA A 19 21.332 5.170 93.610 1.00 26.86 N ATOM 124 CA ALA A 19 21.963 4.113 94.362 1.00 25.83 C ATOM 125 C ALA A 19 22.127 4.450 95.852 1.00 29.37 C ATOM 126 O ALA A 19 21.929 5.584 96.283 1.00 29.10 O ATOM 127 CB ALA A 19 23.392 3.871 93.831 1.00 26.43 C ATOM 128 N VAL A 20 22.338 3.405 96.641 1.00 22.79 N ATOM 129 CA VAL A 20 22.734 3.549 98.033 1.00 24.93 C ATOM 130 C VAL A 20 24.273 3.521 98.028 1.00 30.72 C ATOM 131 O VAL A 20 24.885 2.617 97.455 1.00 29.32 O ATOM 132 CB VAL A 20 22.207 2.487 98.987 1.00 37.75 C ATOM 133 CG1 VAL A 20 22.561 2.889 100.416 1.00 34.32 C ATOM 134 CG2 VAL A 20 20.693 2.349 98.840 1.00 28.47 C ATOM 135 N VAL A 21 24.873 4.603 98.493 1.00 27.64 N ATOM 136 CA VAL A 21 26.349 4.708 98.523 1.00 30.53 C ATOM 137 C VAL A 21 26.711 5.157 99.936 1.00 33.08 C ATOM 138 O VAL A 21 26.209 6.213 100.334 1.00 33.33 O ATOM 139 CB VAL A 21 26.925 5.691 97.503 1.00 29.74 C ATOM 140 CG1 VAL A 21 28.441 5.903 97.660 1.00 33.05 C ATOM 141 CG2 VAL A 21 26.648 5.247 96.071 1.00 35.10 C ATOM 142 N ASP A 22 27.448 4.335 100.670 1.00 32.87 N ATOM 143 CA ASP A 22 27.772 4.637 102.068 1.00 39.45 C ATOM 144 C ASP A 22 26.564 4.987 102.924 1.00 42.37 C ATOM 145 O ASP A 22 26.537 5.967 103.688 1.00 39.82 O ATOM 146 CB ASP A 22 28.831 5.748 102.080 1.00 36.86 C ATOM 147 CG ASP A 22 30.143 5.182 101.528 1.00 50.55 C ATOM 148 OD1 ASP A 22 30.416 3.971 101.707 1.00 49.74 O ATOM 149 OD2 ASP A 22 30.871 5.983 100.909 1.00 50.86 O ATOM 150 N GLY A 23 25.491 4.195 102.826 1.00 38.36 N ATOM 151 CA GLY A 23 24.266 4.370 103.568 1.00 38.42 C ATOM 152 C GLY A 23 23.404 5.548 103.163 1.00 37.44 C ATOM 153 O GLY A 23 22.403 5.814 103.848 1.00 41.56 O ATOM 154 N ALA A 24 23.722 6.268 102.103 1.00 31.17 N ATOM 155 CA ALA A 24 22.909 7.384 101.651 1.00 35.01 C ATOM 156 C ALA A 24 22.579 7.217 100.163 1.00 34.75 C ATOM 157 O ALA A 24 23.153 6.385 99.441 1.00 31.92 O ATOM 158 CB ALA A 24 23.590 8.717 101.929 1.00 34.39 C ATOM 159 N PHE A 25 21.650 8.039 99.712 1.00 29.62 N ATOM 160 CA PHE A 25 21.175 7.999 98.340 1.00 32.69 C ATOM 161 C PHE A 25 22.009 8.919 97.462 1.00 36.78 C ATOM 162 O PHE A 25 22.269 10.042 97.866 1.00 38.89 O ATOM 163 CB PHE A 25 19.688 8.358 98.269 1.00 30.88 C ATOM 164 CG PHE A 25 18.801 7.401 99.046 1.00 31.92 C ATOM 165 CD1 PHE A 25 19.133 6.085 99.231 1.00 24.07 C ATOM 166 CD2 PHE A 25 17.620 7.854 99.609 1.00 34.86 C ATOM 167 CE1 PHE A 25 18.326 5.212 99.939 1.00 29.27 C ATOM 168 CE2 PHE A 25 16.793 7.001 100.324 1.00 31.48 C ATOM 169 CZ PHE A 25 17.147 5.685 100.492 1.00 30.78 C ATOM 170 N LYS A 26 22.391 8.435 96.285 1.00 35.86 N ATOM 171 CA LYS A 26 23.227 9.222 95.384 1.00 38.47 C ATOM 172 C LYS A 26 22.941 8.811 93.944 1.00 39.08 C ATOM 173 O LYS A 26 22.604 7.645 93.714 1.00 33.38 O ATOM 174 CB LYS A 26 24.681 8.898 95.743 1.00 40.94 C ATOM 175 CG LYS A 26 25.758 9.700 95.045 1.00 53.06 C ATOM 176 CD LYS A 26 27.136 9.230 95.515 1.00 53.34 C ATOM 177 CE LYS A 26 28.240 10.030 94.850 1.00 60.38 C ATOM 178 NZ LYS A 26 29.578 9.672 95.415 1.00 65.90 N ATOM 179 N GLU A 27 23.101 9.734 93.008 1.00 39.61 N ATOM 180 CA GLU A 27 22.865 9.417 91.604 1.00 41.16 C ATOM 181 C GLU A 27 24.163 8.850 91.022 1.00 41.56 C ATOM 182 O GLU A 27 25.227 9.378 91.329 1.00 36.62 O ATOM 183 CB GLU A 27 22.410 10.620 90.787 1.00 44.19 C ATOM 184 CG GLU A 27 21.044 11.171 91.195 1.00 49.27 C ATOM 185 CD GLU A 27 19.945 10.125 91.057 1.00 53.90 C ATOM 186 OE1 GLU A 27 19.626 9.793 89.893 1.00 50.57 O ATOM 187 OE2 GLU A 27 19.443 9.644 92.094 1.00 45.96 O ATOM 188 N VAL A 28 24.052 7.758 90.282 1.00 37.67 N ATOM 189 CA VAL A 28 25.237 7.130 89.691 1.00 37.90 C ATOM 190 C VAL A 28 25.015 7.035 88.183 1.00 36.25 C ATOM 191 O VAL A 28 23.924 6.638 87.747 1.00 32.09 O ATOM 192 CB VAL A 28 25.474 5.719 90.272 1.00 31.70 C ATOM 193 CG1 VAL A 28 26.572 4.982 89.498 1.00 38.22 C ATOM 194 CG2 VAL A 28 25.893 5.776 91.733 1.00 39.32 C ATOM 195 N LYS A 29 25.983 7.419 87.361 1.00 34.13 N ATOM 196 CA LYS A 29 25.825 7.252 85.914 1.00 35.05 C ATOM 197 C LYS A 29 27.074 6.577 85.353 1.00 36.17 C ATOM 198 O LYS A 29 28.159 6.717 85.926 1.00 35.13 O ATOM 199 CB LYS A 29 25.451 8.547 85.230 1.00 43.99 C ATOM 200 CG LYS A 29 26.210 9.775 85.690 1.00 42.11 C ATOM 201 CD LYS A 29 25.452 11.049 85.363 1.00 61.38 C ATOM 202 CE LYS A 29 25.098 11.187 83.892 1.00 62.72 C ATOM 203 NZ LYS A 29 24.204 12.354 83.642 1.00 75.29 N ATOM 204 N LEU A 30 26.898 5.780 84.290 1.00 34.60 N ATOM 205 CA LEU A 30 28.011 5.018 83.721 1.00 35.37 C ATOM 206 C LEU A 30 29.172 5.931 83.342 1.00 38.10 C ATOM 207 O LEU A 30 30.323 5.682 83.684 1.00 35.24 O ATOM 208 CB LEU A 30 27.612 4.218 82.482 1.00 35.05 C ATOM 209 CG LEU A 30 28.795 3.579 81.713 1.00 33.89 C ATOM 210 CD1 LEU A 30 29.507 2.563 82.578 1.00 40.02 C ATOM 211 CD2 LEU A 30 28.267 2.985 80.408 1.00 42.09 C ATOM 212 N SER A 31 28.828 7.041 82.713 1.00 40.47 N ATOM 213 CA SER A 31 29.710 8.106 82.294 1.00 48.44 C ATOM 214 C SER A 31 30.608 8.634 83.393 1.00 49.16 C ATOM 215 O SER A 31 31.712 9.136 83.119 1.00 51.49 O ATOM 216 CB SER A 31 28.888 9.301 81.770 1.00 50.85 C ATOM 217 OG SER A 31 28.787 10.287 82.791 1.00 55.30 O ATOM 218 N ASP A 32 30.212 8.515 84.660 1.00 45.95 N ATOM 219 CA ASP A 32 31.031 8.892 85.784 1.00 47.47 C ATOM 220 C ASP A 32 32.324 8.073 85.843 1.00 47.33 C ATOM 221 O ASP A 32 33.228 8.443 86.587 1.00 47.55 O ATOM 222 CB ASP A 32 30.345 8.600 87.122 1.00 54.58 C ATOM 223 CG ASP A 32 29.205 9.479 87.564 1.00 60.23 C ATOM 224 OD1 ASP A 32 28.994 10.560 86.970 1.00 59.57 O ATOM 225 OD2 ASP A 32 28.516 9.070 88.538 1.00 59.65 O ATOM 226 N TYR A 33 32.345 6.877 85.244 1.00 43.84 N ATOM 227 CA TYR A 33 33.455 5.955 85.379 1.00 38.94 C ATOM 228 C TYR A 33 34.418 5.957 84.194 1.00 37.97 C ATOM 229 O TYR A 33 35.279 5.078 84.103 1.00 35.07 O ATOM 230 CB TYR A 33 32.915 4.532 85.634 1.00 36.06 C ATOM 231 CG TYR A 33 32.150 4.565 86.956 1.00 38.05 C ATOM 232 CD1 TYR A 33 32.837 4.431 88.143 1.00 40.67 C ATOM 233 CD2 TYR A 33 30.780 4.789 86.993 1.00 40.32 C ATOM 234 CE1 TYR A 33 32.194 4.480 89.372 1.00 40.99 C ATOM 235 CE2 TYR A 33 30.126 4.841 88.220 1.00 39.13 C ATOM 236 CZ TYR A 33 30.831 4.687 89.389 1.00 43.74 C ATOM 237 OH TYR A 33 30.189 4.737 90.614 1.00 46.69 O ATOM 238 N LYS A 34 34.247 6.945 83.347 1.00 37.04 N ATOM 239 CA LYS A 34 35.113 7.105 82.175 1.00 42.97 C ATOM 240 C LYS A 34 36.572 7.031 82.595 1.00 42.75 C ATOM 241 O LYS A 34 36.935 7.597 83.622 1.00 40.97 O ATOM 242 CB LYS A 34 34.841 8.483 81.558 1.00 50.44 C ATOM 243 CG LYS A 34 35.039 8.481 80.047 1.00 62.23 C ATOM 244 CD LYS A 34 33.955 7.618 79.404 1.00 66.80 C ATOM 245 CE LYS A 34 34.246 7.346 77.939 1.00 67.18 C ATOM 246 NZ LYS A 34 33.018 6.846 77.254 1.00 72.67 N ATOM 247 N GLY A 35 37.394 6.272 81.877 1.00 40.22 N ATOM 248 CA GLY A 35 38.798 6.119 82.203 1.00 36.91 C ATOM 249 C GLY A 35 39.087 4.979 83.154 1.00 37.03 C ATOM 250 O GLY A 35 40.235 4.655 83.427 1.00 39.35 O ATOM 251 N LYS A 36 38.047 4.347 83.726 1.00 34.98 N ATOM 252 CA LYS A 36 38.223 3.236 84.631 1.00 30.13 C ATOM 253 C LYS A 36 37.416 2.017 84.089 1.00 24.25 C ATOM 254 O LYS A 36 36.416 2.242 83.441 1.00 29.09 O ATOM 255 CB LYS A 36 37.663 3.507 86.040 1.00 43.74 C ATOM 256 CG LYS A 36 38.685 4.187 86.941 1.00 46.95 C ATOM 257 CD LYS A 36 37.999 5.100 87.949 1.00 56.32 C ATOM 258 CE LYS A 36 39.058 5.908 88.705 1.00 58.50 C ATOM 259 NZ LYS A 36 38.485 6.515 89.937 1.00 64.64 N ATOM 260 N TYR A 37 37.839 0.849 84.516 1.00 29.01 N ATOM 261 CA TYR A 37 37.042 -0.332 84.162 1.00 26.79 C ATOM 262 C TYR A 37 35.832 -0.368 85.114 1.00 30.34 C ATOM 263 O TYR A 37 35.883 0.189 86.222 1.00 28.13 O ATOM 264 CB TYR A 37 37.864 -1.587 84.313 1.00 26.74 C ATOM 265 CG TYR A 37 38.423 -2.127 82.995 1.00 29.81 C ATOM 266 CD1 TYR A 37 39.373 -1.406 82.268 1.00 35.25 C ATOM 267 CD2 TYR A 37 38.042 -3.373 82.526 1.00 31.09 C ATOM 268 CE1 TYR A 37 39.894 -1.917 81.086 1.00 34.50 C ATOM 269 CE2 TYR A 37 38.546 -3.897 81.338 1.00 29.82 C ATOM 270 CZ TYR A 37 39.486 -3.160 80.639 1.00 38.58 C ATOM 271 OH TYR A 37 39.991 -3.667 79.443 1.00 37.06 O ATOM 272 N VAL A 38 34.773 -1.037 84.663 1.00 28.94 N ATOM 273 CA VAL A 38 33.583 -1.175 85.514 1.00 31.30 C ATOM 274 C VAL A 38 33.165 -2.643 85.477 1.00 29.64 C ATOM 275 O VAL A 38 33.101 -3.213 84.381 1.00 26.18 O ATOM 276 CB VAL A 38 32.433 -0.305 85.002 1.00 29.91 C ATOM 277 CG1 VAL A 38 31.125 -0.599 85.758 1.00 30.72 C ATOM 278 CG2 VAL A 38 32.694 1.198 85.097 1.00 30.35 C ATOM 279 N VAL A 39 32.842 -3.223 86.618 1.00 28.93 N ATOM 280 CA VAL A 39 32.214 -4.552 86.672 1.00 22.72 C ATOM 281 C VAL A 39 30.759 -4.249 87.098 1.00 23.56 C ATOM 282 O VAL A 39 30.594 -3.759 88.211 1.00 24.91 O ATOM 283 CB VAL A 39 32.863 -5.533 87.631 1.00 26.78 C ATOM 284 CG1 VAL A 39 32.017 -6.773 87.891 1.00 24.70 C ATOM 285 CG2 VAL A 39 34.233 -5.977 87.074 1.00 27.69 C ATOM 286 N LEU A 40 29.798 -4.344 86.193 1.00 23.25 N ATOM 287 CA LEU A 40 28.397 -4.066 86.483 1.00 24.92 C ATOM 288 C LEU A 40 27.698 -5.413 86.669 1.00 22.04 C ATOM 289 O LEU A 40 27.639 -6.248 85.735 1.00 25.39 O ATOM 290 CB LEU A 40 27.765 -3.281 85.346 1.00 27.37 C ATOM 291 CG LEU A 40 26.284 -2.914 85.436 1.00 26.14 C ATOM 292 CD1 LEU A 40 26.016 -1.917 86.567 1.00 26.33 C ATOM 293 CD2 LEU A 40 25.780 -2.403 84.102 1.00 27.71 C ATOM 294 N PHE A 41 27.181 -5.668 87.875 1.00 22.30 N ATOM 295 CA PHE A 41 26.547 -6.969 88.089 1.00 22.51 C ATOM 296 C PHE A 41 25.081 -6.791 88.535 1.00 23.33 C ATOM 297 O PHE A 41 24.801 -6.057 89.482 1.00 24.79 O ATOM 298 CB PHE A 41 27.309 -7.870 89.039 1.00 23.21 C ATOM 299 CG PHE A 41 27.327 -7.502 90.498 1.00 24.08 C ATOM 300 CD1 PHE A 41 28.159 -6.533 91.009 1.00 24.11 C ATOM 301 CD2 PHE A 41 26.426 -8.151 91.362 1.00 26.62 C ATOM 302 CE1 PHE A 41 28.116 -6.191 92.353 1.00 26.78 C ATOM 303 CE2 PHE A 41 26.393 -7.817 92.709 1.00 24.49 C ATOM 304 CZ PHE A 41 27.240 -6.841 93.205 1.00 25.86 C ATOM 305 N PHE A 42 24.208 -7.428 87.775 1.00 20.45 N ATOM 306 CA PHE A 42 22.746 -7.378 88.031 1.00 21.12 C ATOM 307 C PHE A 42 22.428 -8.609 88.885 1.00 22.21 C ATOM 308 O PHE A 42 23.125 -9.628 88.746 1.00 23.69 O ATOM 309 CB PHE A 42 21.969 -7.592 86.715 1.00 20.30 C ATOM 310 CG PHE A 42 21.952 -6.372 85.822 1.00 21.55 C ATOM 311 CD1 PHE A 42 23.025 -6.112 84.987 1.00 19.29 C ATOM 312 CD2 PHE A 42 20.867 -5.512 85.808 1.00 24.96 C ATOM 313 CE1 PHE A 42 23.003 -4.975 84.200 1.00 23.52 C ATOM 314 CE2 PHE A 42 20.838 -4.400 85.008 1.00 27.00 C ATOM 315 CZ PHE A 42 21.925 -4.102 84.180 1.00 25.08 C ATOM 316 N TYR A 43 21.406 -8.523 89.732 1.00 18.88 N ATOM 317 CA TYR A 43 21.012 -9.672 90.535 1.00 21.65 C ATOM 318 C TYR A 43 19.475 -9.515 90.656 1.00 20.62 C ATOM 319 O TYR A 43 18.947 -8.406 90.531 1.00 20.08 O ATOM 320 CB TYR A 43 21.709 -9.740 91.898 1.00 20.74 C ATOM 321 CG TYR A 43 21.387 -8.590 92.823 1.00 21.97 C ATOM 322 CD1 TYR A 43 22.098 -7.410 92.761 1.00 20.97 C ATOM 323 CD2 TYR A 43 20.336 -8.711 93.748 1.00 21.38 C ATOM 324 CE1 TYR A 43 21.796 -6.357 93.597 1.00 22.80 C ATOM 325 CE2 TYR A 43 20.030 -7.658 94.597 1.00 24.61 C ATOM 326 CZ TYR A 43 20.749 -6.495 94.515 1.00 23.86 C ATOM 327 OH TYR A 43 20.505 -5.412 95.319 1.00 23.39 O ATOM 328 N PRO A 44 18.770 -10.624 90.847 1.00 20.81 N ATOM 329 CA PRO A 44 17.339 -10.624 90.821 1.00 20.54 C ATOM 330 C PRO A 44 16.622 -9.910 91.958 1.00 23.82 C ATOM 331 O PRO A 44 15.797 -9.053 91.639 1.00 21.51 O ATOM 332 CB PRO A 44 16.919 -12.118 90.823 1.00 19.36 C ATOM 333 CG PRO A 44 18.148 -12.828 91.296 1.00 21.38 C ATOM 334 CD PRO A 44 19.324 -12.006 90.801 1.00 19.37 C ATOM 335 N LEU A 45 16.826 -10.278 93.218 1.00 21.17 N ATOM 336 CA LEU A 45 15.990 -9.725 94.277 1.00 23.35 C ATOM 337 C LEU A 45 16.682 -9.541 95.624 1.00 22.18 C ATOM 338 O LEU A 45 17.330 -10.453 96.174 1.00 22.27 O ATOM 339 CB LEU A 45 14.794 -10.675 94.546 1.00 23.57 C ATOM 340 CG LEU A 45 13.657 -10.718 93.514 1.00 26.81 C ATOM 341 CD1 LEU A 45 12.665 -11.816 93.873 1.00 33.50 C ATOM 342 CD2 LEU A 45 12.982 -9.361 93.366 1.00 27.94 C ATOM 343 N ASP A 46 16.431 -8.362 96.193 1.00 19.78 N ATOM 344 CA ASP A 46 16.831 -8.113 97.577 1.00 21.73 C ATOM 345 C ASP A 46 16.085 -9.083 98.512 1.00 24.92 C ATOM 346 O ASP A 46 15.004 -9.525 98.199 1.00 22.56 O ATOM 347 CB ASP A 46 16.516 -6.693 98.051 1.00 23.04 C ATOM 348 CG ASP A 46 17.404 -5.627 97.465 1.00 26.45 C ATOM 349 OD1 ASP A 46 18.219 -5.961 96.563 1.00 27.44 O ATOM 350 OD2 ASP A 46 17.314 -4.444 97.844 1.00 22.63 O ATOM 351 N PHE A 47 16.657 -9.339 99.686 1.00 24.06 N ATOM 352 CA PHE A 47 16.098 -10.214 100.706 1.00 23.70 C ATOM 353 C PHE A 47 15.941 -11.658 100.263 1.00 25.75 C ATOM 354 O PHE A 47 15.071 -12.392 100.731 1.00 25.77 O ATOM 355 CB PHE A 47 14.793 -9.666 101.311 1.00 22.85 C ATOM 356 CG PHE A 47 15.025 -8.416 102.134 1.00 21.46 C ATOM 357 CD1 PHE A 47 15.531 -8.530 103.419 1.00 22.59 C ATOM 358 CD2 PHE A 47 14.726 -7.154 101.632 1.00 25.74 C ATOM 359 CE1 PHE A 47 15.754 -7.415 104.199 1.00 26.53 C ATOM 360 CE2 PHE A 47 14.956 -6.021 102.415 1.00 22.12 C ATOM 361 CZ PHE A 47 15.430 -6.152 103.721 1.00 25.74 C ATOM 362 N THR A 48 16.847 -12.145 99.401 1.00 25.40 N ATOM 363 CA THR A 48 16.892 -13.508 98.942 1.00 24.01 C ATOM 364 C THR A 48 18.237 -14.166 99.304 1.00 25.67 C ATOM 365 O THR A 48 18.787 -13.887 100.361 1.00 25.84 O ATOM 366 CB THR A 48 16.521 -13.776 97.470 1.00 27.01 C ATOM 367 OG1 THR A 48 17.396 -13.011 96.646 1.00 23.61 O ATOM 368 CG2 THR A 48 15.081 -13.329 97.215 1.00 27.94 C ATOM 369 N PHE A 49 18.635 -15.228 98.588 1.00 23.90 N ATOM 370 CA PHE A 49 19.611 -16.206 99.080 1.00 23.75 C ATOM 371 C PHE A 49 20.974 -16.191 98.447 1.00 24.55 C ATOM 372 O PHE A 49 21.943 -15.759 99.095 1.00 23.81 O ATOM 373 CB PHE A 49 18.937 -17.600 98.961 1.00 24.95 C ATOM 374 CG PHE A 49 17.582 -17.499 99.647 1.00 31.18 C ATOM 375 CD1 PHE A 49 17.509 -17.337 101.025 1.00 30.96 C ATOM 376 CD2 PHE A 49 16.438 -17.462 98.885 1.00 32.65 C ATOM 377 CE1 PHE A 49 16.267 -17.176 101.620 1.00 38.72 C ATOM 378 CE2 PHE A 49 15.197 -17.293 99.465 1.00 35.05 C ATOM 379 CZ PHE A 49 15.125 -17.161 100.834 1.00 32.79 C ATOM 380 N VAL A 50 21.081 -16.476 97.141 1.00 26.14 N ATOM 381 CA VAL A 50 22.387 -16.347 96.476 1.00 25.86 C ATOM 382 C VAL A 50 22.782 -14.870 96.456 1.00 21.78 C ATOM 383 O VAL A 50 23.933 -14.534 96.683 1.00 22.91 O ATOM 384 CB VAL A 50 22.371 -16.863 95.029 1.00 29.68 C ATOM 385 CG1 VAL A 50 23.710 -16.600 94.314 1.00 24.26 C ATOM 386 CG2 VAL A 50 22.018 -18.342 94.941 1.00 25.43 C HETATM 387 N CSD A 51 21.825 -13.970 96.222 1.00 23.34 N HETATM 388 CA CSD A 51 22.051 -12.542 96.168 1.00 21.20 C HETATM 389 CB CSD A 51 20.661 -11.846 96.137 1.00 21.88 C HETATM 390 SG CSD A 51 19.617 -12.449 94.685 1.00 22.85 S HETATM 391 C CSD A 51 22.909 -11.844 97.172 1.00 24.24 C HETATM 392 O CSD A 51 23.896 -11.212 96.785 1.00 24.25 O HETATM 393 OD1 CSD A 51 20.546 -12.071 93.568 1.00 26.31 O HETATM 394 OD2 CSD A 51 19.558 -13.958 94.731 1.00 22.54 O ATOM 395 N PRO A 52 22.679 -11.951 98.494 1.00 22.78 N ATOM 396 CA PRO A 52 23.582 -11.336 99.456 1.00 24.38 C ATOM 397 C PRO A 52 24.974 -11.951 99.376 1.00 24.09 C ATOM 398 O PRO A 52 25.963 -11.222 99.530 1.00 24.18 O ATOM 399 CB PRO A 52 22.932 -11.625 100.831 1.00 22.18 C ATOM 400 CG PRO A 52 22.094 -12.835 100.564 1.00 25.29 C ATOM 401 CD PRO A 52 21.570 -12.692 99.127 1.00 23.38 C ATOM 402 N THR A 53 25.089 -13.254 99.074 1.00 22.91 N ATOM 403 CA THR A 53 26.456 -13.800 99.018 1.00 26.25 C ATOM 404 C THR A 53 27.248 -13.158 97.876 1.00 25.02 C ATOM 405 O THR A 53 28.465 -12.917 98.040 1.00 27.29 O ATOM 406 CB THR A 53 26.519 -15.324 98.942 1.00 25.02 C ATOM 407 OG1 THR A 53 26.233 -15.771 97.588 1.00 25.44 O ATOM 408 CG2 THR A 53 25.533 -15.990 99.885 1.00 26.47 C ATOM 409 N GLU A 54 26.621 -12.774 96.756 1.00 23.32 N ATOM 410 CA GLU A 54 27.376 -12.162 95.670 1.00 23.96 C ATOM 411 C GLU A 54 27.719 -10.729 96.032 1.00 24.83 C ATOM 412 O GLU A 54 28.830 -10.260 95.785 1.00 26.44 O ATOM 413 CB GLU A 54 26.638 -12.168 94.308 1.00 20.53 C ATOM 414 CG GLU A 54 26.417 -13.618 93.859 1.00 22.39 C ATOM 415 CD GLU A 54 25.743 -13.703 92.502 1.00 26.68 C ATOM 416 OE1 GLU A 54 24.635 -13.152 92.357 1.00 27.19 O ATOM 417 OE2 GLU A 54 26.310 -14.283 91.549 1.00 25.05 O ATOM 418 N ILE A 55 26.712 -10.021 96.584 1.00 25.25 N ATOM 419 CA ILE A 55 26.914 -8.609 96.915 1.00 24.76 C ATOM 420 C ILE A 55 28.021 -8.471 97.967 1.00 24.72 C ATOM 421 O ILE A 55 28.879 -7.589 97.871 1.00 24.73 O ATOM 422 CB ILE A 55 25.591 -7.988 97.417 1.00 24.41 C ATOM 423 CG1 ILE A 55 24.544 -8.057 96.284 1.00 24.71 C ATOM 424 CG2 ILE A 55 25.828 -6.537 97.829 1.00 25.56 C ATOM 425 CD1 ILE A 55 23.085 -7.895 96.774 1.00 22.60 C ATOM 426 N ILE A 56 27.953 -9.330 98.975 1.00 23.42 N ATOM 427 CA ILE A 56 28.970 -9.269 100.045 1.00 25.20 C ATOM 428 C ILE A 56 30.346 -9.662 99.492 1.00 29.29 C ATOM 429 O ILE A 56 31.327 -9.015 99.854 1.00 28.93 O ATOM 430 CB ILE A 56 28.579 -10.140 101.240 1.00 29.81 C ATOM 431 CG1 ILE A 56 27.369 -9.464 101.964 1.00 26.50 C ATOM 432 CG2 ILE A 56 29.739 -10.392 102.205 1.00 27.35 C ATOM 433 CD1 ILE A 56 26.579 -10.476 102.756 1.00 27.31 C ATOM 434 N ALA A 57 30.387 -10.693 98.646 1.00 27.02 N ATOM 435 CA ALA A 57 31.654 -11.144 98.072 1.00 26.59 C ATOM 436 C ALA A 57 32.306 -10.034 97.260 1.00 28.61 C ATOM 437 O ALA A 57 33.506 -9.762 97.453 1.00 26.93 O ATOM 438 CB ALA A 57 31.519 -12.420 97.271 1.00 26.00 C ATOM 439 N PHE A 58 31.553 -9.332 96.409 1.00 27.91 N ATOM 440 CA PHE A 58 32.092 -8.199 95.662 1.00 28.76 C ATOM 441 C PHE A 58 32.422 -7.042 96.598 1.00 30.14 C ATOM 442 O PHE A 58 33.435 -6.368 96.409 1.00 25.21 O ATOM 443 CB PHE A 58 31.128 -7.734 94.555 1.00 28.17 C ATOM 444 CG PHE A 58 31.283 -8.515 93.269 1.00 29.99 C ATOM 445 CD1 PHE A 58 32.402 -8.356 92.478 1.00 27.72 C ATOM 446 CD2 PHE A 58 30.321 -9.436 92.877 1.00 25.55 C ATOM 447 CE1 PHE A 58 32.565 -9.075 91.301 1.00 27.54 C ATOM 448 CE2 PHE A 58 30.472 -10.165 91.702 1.00 32.47 C ATOM 449 CZ PHE A 58 31.611 -9.990 90.922 1.00 28.13 C ATOM 450 N SER A 59 31.580 -6.715 97.588 1.00 26.29 N ATOM 451 CA SER A 59 31.901 -5.622 98.503 1.00 26.64 C ATOM 452 C SER A 59 33.162 -5.896 99.338 1.00 25.36 C ATOM 453 O SER A 59 34.054 -5.045 99.470 1.00 27.49 O ATOM 454 CB SER A 59 30.744 -5.471 99.520 1.00 28.14 C ATOM 455 OG SER A 59 31.007 -4.304 100.300 1.00 27.37 O ATOM 456 N ASN A 60 33.286 -7.108 99.849 1.00 24.92 N ATOM 457 CA ASN A 60 34.455 -7.471 100.664 1.00 27.40 C ATOM 458 C ASN A 60 35.728 -7.303 99.846 1.00 32.16 C ATOM 459 O ASN A 60 36.764 -7.001 100.441 1.00 30.63 O ATOM 460 CB ASN A 60 34.396 -8.883 101.229 1.00 25.70 C ATOM 461 CG ASN A 60 33.400 -9.070 102.365 1.00 26.08 C ATOM 462 OD1 ASN A 60 32.799 -8.113 102.854 1.00 27.07 O ATOM 463 ND2 ASN A 60 33.212 -10.303 102.806 1.00 30.21 N ATOM 464 N ARG A 61 35.660 -7.583 98.532 1.00 28.40 N ATOM 465 CA ARG A 61 36.839 -7.470 97.697 1.00 27.40 C ATOM 466 C ARG A 61 36.891 -6.248 96.819 1.00 30.20 C ATOM 467 O ARG A 61 37.688 -6.193 95.870 1.00 29.41 O ATOM 468 CB ARG A 61 36.950 -8.683 96.757 1.00 35.13 C ATOM 469 CG ARG A 61 37.207 -9.944 97.588 1.00 35.37 C ATOM 470 CD ARG A 61 38.150 -10.810 96.913 1.00 44.49 C ATOM 471 NE ARG A 61 38.785 -11.506 95.938 1.00 38.89 N ATOM 472 CZ ARG A 61 38.769 -12.619 95.250 1.00 42.71 C ATOM 473 NH1 ARG A 61 37.840 -13.549 95.385 1.00 45.00 N ATOM 474 NH2 ARG A 61 39.758 -12.799 94.378 1.00 44.59 N ATOM 475 N ALA A 62 36.114 -5.220 97.136 1.00 27.69 N ATOM 476 CA ALA A 62 36.078 -4.018 96.324 1.00 29.43 C ATOM 477 C ALA A 62 37.456 -3.423 96.075 1.00 33.59 C ATOM 478 O ALA A 62 37.737 -2.965 94.959 1.00 35.09 O ATOM 479 CB ALA A 62 35.162 -2.975 96.948 1.00 32.99 C ATOM 480 N GLU A 63 38.304 -3.448 97.111 1.00 30.26 N ATOM 481 CA GLU A 63 39.631 -2.850 96.937 1.00 33.69 C ATOM 482 C GLU A 63 40.497 -3.641 95.974 1.00 37.16 C ATOM 483 O GLU A 63 41.332 -3.009 95.319 1.00 34.06 O ATOM 484 CB GLU A 63 40.276 -2.602 98.292 1.00 35.76 C ATOM 485 CG GLU A 63 39.750 -1.333 98.952 1.00 49.69 C ATOM 486 CD GLU A 63 39.950 -0.107 98.073 1.00 50.23 C ATOM 487 OE1 GLU A 63 41.031 0.039 97.476 1.00 53.84 O ATOM 488 OE2 GLU A 63 38.981 0.682 98.001 1.00 63.23 O ATOM 489 N ASP A 64 40.271 -4.953 95.835 1.00 33.52 N ATOM 490 CA ASP A 64 40.997 -5.724 94.838 1.00 37.99 C ATOM 491 C ASP A 64 40.796 -5.152 93.439 1.00 38.63 C ATOM 492 O ASP A 64 41.719 -5.145 92.602 1.00 35.63 O ATOM 493 CB ASP A 64 40.540 -7.190 94.836 1.00 36.08 C ATOM 494 CG ASP A 64 40.996 -7.939 96.056 1.00 40.18 C ATOM 495 OD1 ASP A 64 41.848 -7.377 96.783 1.00 53.87 O ATOM 496 OD2 ASP A 64 40.579 -9.099 96.247 1.00 42.87 O ATOM 497 N PHE A 65 39.581 -4.690 93.125 1.00 33.07 N ATOM 498 CA PHE A 65 39.246 -4.094 91.860 1.00 33.50 C ATOM 499 C PHE A 65 39.684 -2.636 91.796 1.00 34.04 C ATOM 500 O PHE A 65 40.230 -2.186 90.772 1.00 31.47 O ATOM 501 CB PHE A 65 37.728 -4.212 91.572 1.00 33.18 C ATOM 502 CG PHE A 65 37.267 -5.630 91.380 1.00 31.28 C ATOM 503 CD1 PHE A 65 36.916 -6.437 92.441 1.00 28.67 C ATOM 504 CD2 PHE A 65 37.207 -6.159 90.093 1.00 32.26 C ATOM 505 CE1 PHE A 65 36.521 -7.749 92.259 1.00 30.40 C ATOM 506 CE2 PHE A 65 36.803 -7.466 89.890 1.00 29.35 C ATOM 507 CZ PHE A 65 36.466 -8.259 90.959 1.00 26.65 C ATOM 508 N ARG A 66 39.513 -1.848 92.867 1.00 30.27 N ATOM 509 CA ARG A 66 39.891 -0.441 92.806 1.00 37.24 C ATOM 510 C ARG A 66 41.383 -0.196 92.577 1.00 33.77 C ATOM 511 O ARG A 66 41.730 0.756 91.886 1.00 36.17 O ATOM 512 CB ARG A 66 39.496 0.343 94.076 1.00 35.11 C ATOM 513 CG ARG A 66 38.062 0.834 93.890 1.00 41.49 C ATOM 514 CD ARG A 66 37.384 1.072 95.241 1.00 41.19 C ATOM 515 NE ARG A 66 35.933 1.084 94.993 1.00 42.39 N ATOM 516 CZ ARG A 66 35.028 1.048 95.968 1.00 40.47 C ATOM 517 NH1 ARG A 66 35.465 1.015 97.216 1.00 39.63 N ATOM 518 NH2 ARG A 66 33.731 1.060 95.678 1.00 43.59 N ATOM 519 N LYS A 67 42.212 -1.092 93.047 1.00 34.34 N ATOM 520 CA LYS A 67 43.667 -0.987 92.897 1.00 37.47 C ATOM 521 C LYS A 67 44.073 -1.145 91.435 1.00 40.00 C ATOM 522 O LYS A 67 45.198 -0.807 91.088 1.00 39.39 O ATOM 523 CB LYS A 67 44.386 -2.074 93.680 1.00 36.55 C ATOM 524 CG LYS A 67 44.267 -2.008 95.187 1.00 47.43 C ATOM 525 CD LYS A 67 45.079 -3.121 95.826 1.00 50.26 C ATOM 526 CE LYS A 67 44.618 -4.504 95.404 1.00 59.20 C ATOM 527 NZ LYS A 67 45.550 -5.556 95.914 1.00 65.21 N ATOM 528 N LEU A 68 43.191 -1.729 90.642 1.00 39.47 N ATOM 529 CA LEU A 68 43.291 -1.950 89.232 1.00 36.00 C ATOM 530 C LEU A 68 42.622 -0.856 88.425 1.00 35.91 C ATOM 531 O LEU A 68 42.595 -0.958 87.190 1.00 40.08 O ATOM 532 CB LEU A 68 42.631 -3.274 88.823 1.00 35.93 C ATOM 533 CG LEU A 68 43.288 -4.534 89.380 1.00 40.39 C ATOM 534 CD1 LEU A 68 42.639 -5.786 88.824 1.00 41.01 C ATOM 535 CD2 LEU A 68 44.794 -4.531 89.088 1.00 44.07 C ATOM 536 N GLY A 69 42.027 0.133 89.069 1.00 34.61 N ATOM 537 CA GLY A 69 41.302 1.194 88.367 1.00 35.28 C ATOM 538 C GLY A 69 39.954 0.642 87.865 1.00 36.55 C ATOM 539 O GLY A 69 39.430 1.059 86.829 1.00 37.88 O ATOM 540 N CYS A 70 39.380 -0.268 88.652 1.00 35.54 N ATOM 541 CA CYS A 70 38.104 -0.883 88.259 1.00 31.58 C ATOM 542 C CYS A 70 37.055 -0.665 89.360 1.00 28.49 C ATOM 543 O CYS A 70 37.337 -0.953 90.514 1.00 33.05 O ATOM 544 CB CYS A 70 38.326 -2.386 88.049 1.00 33.37 C ATOM 545 SG CYS A 70 36.810 -3.265 87.498 1.00 27.68 S ATOM 546 N GLU A 71 35.897 -0.123 89.027 1.00 31.71 N ATOM 547 CA GLU A 71 34.832 0.073 90.016 1.00 29.52 C ATOM 548 C GLU A 71 33.838 -1.082 89.889 1.00 29.38 C ATOM 549 O GLU A 71 33.604 -1.572 88.771 1.00 30.56 O ATOM 550 CB GLU A 71 34.143 1.411 89.778 1.00 34.82 C ATOM 551 CG GLU A 71 35.071 2.583 90.110 1.00 40.80 C ATOM 552 CD GLU A 71 35.510 2.673 91.552 1.00 46.20 C ATOM 553 OE1 GLU A 71 34.928 2.053 92.466 1.00 47.51 O ATOM 554 OE2 GLU A 71 36.493 3.398 91.820 1.00 45.77 O ATOM 555 N VAL A 72 33.201 -1.449 90.989 1.00 28.16 N ATOM 556 CA VAL A 72 32.207 -2.536 90.928 1.00 29.29 C ATOM 557 C VAL A 72 30.840 -1.942 91.278 1.00 28.45 C ATOM 558 O VAL A 72 30.777 -1.243 92.291 1.00 27.77 O ATOM 559 CB VAL A 72 32.544 -3.648 91.916 1.00 28.92 C ATOM 560 CG1 VAL A 72 31.482 -4.738 91.987 1.00 30.87 C ATOM 561 CG2 VAL A 72 33.897 -4.251 91.531 1.00 26.94 C ATOM 562 N LEU A 73 29.839 -2.206 90.456 1.00 25.45 N ATOM 563 CA LEU A 73 28.503 -1.643 90.773 1.00 25.78 C ATOM 564 C LEU A 73 27.491 -2.782 90.811 1.00 30.10 C ATOM 565 O LEU A 73 27.521 -3.489 89.809 1.00 24.19 O ATOM 566 CB LEU A 73 28.061 -0.699 89.661 1.00 25.57 C ATOM 567 CG LEU A 73 28.968 0.495 89.340 1.00 30.98 C ATOM 568 CD1 LEU A 73 28.453 1.268 88.145 1.00 32.74 C ATOM 569 CD2 LEU A 73 29.066 1.384 90.581 1.00 36.52 C ATOM 570 N GLY A 74 26.624 -2.823 91.828 1.00 23.21 N ATOM 571 CA GLY A 74 25.615 -3.921 91.816 1.00 23.92 C ATOM 572 C GLY A 74 24.265 -3.297 91.529 1.00 24.30 C ATOM 573 O GLY A 74 24.067 -2.104 91.808 1.00 24.17 O ATOM 574 N VAL A 75 23.337 -4.059 90.899 1.00 23.34 N ATOM 575 CA VAL A 75 22.045 -3.433 90.587 1.00 22.60 C ATOM 576 C VAL A 75 20.933 -4.477 90.581 1.00 24.54 C ATOM 577 O VAL A 75 21.155 -5.611 90.162 1.00 22.84 O ATOM 578 CB VAL A 75 22.060 -2.743 89.215 1.00 25.74 C ATOM 579 CG1 VAL A 75 22.590 -3.677 88.122 1.00 30.82 C ATOM 580 CG2 VAL A 75 20.732 -2.166 88.757 1.00 28.53 C ATOM 581 N SER A 76 19.767 -4.102 91.101 1.00 20.63 N ATOM 582 CA SER A 76 18.607 -4.996 91.010 1.00 22.87 C ATOM 583 C SER A 76 17.394 -4.093 90.744 1.00 22.68 C ATOM 584 O SER A 76 17.527 -2.877 90.896 1.00 22.85 O ATOM 585 CB SER A 76 18.303 -5.845 92.238 1.00 23.64 C ATOM 586 OG SER A 76 17.697 -5.070 93.250 1.00 22.91 O ATOM 587 N VAL A 77 16.255 -4.691 90.391 1.00 19.24 N ATOM 588 CA VAL A 77 15.076 -3.849 90.191 1.00 21.55 C ATOM 589 C VAL A 77 14.548 -3.266 91.496 1.00 21.55 C ATOM 590 O VAL A 77 13.606 -2.433 91.404 1.00 22.63 O ATOM 591 CB VAL A 77 13.949 -4.633 89.473 1.00 21.03 C ATOM 592 CG1 VAL A 77 14.398 -5.083 88.082 1.00 23.54 C ATOM 593 CG2 VAL A 77 13.527 -5.872 90.259 1.00 24.17 C ATOM 594 N ASP A 78 14.956 -3.701 92.668 1.00 23.00 N ATOM 595 CA ASP A 78 14.442 -3.159 93.937 1.00 20.79 C ATOM 596 C ASP A 78 14.742 -1.683 94.123 1.00 23.47 C ATOM 597 O ASP A 78 15.718 -1.148 93.567 1.00 22.39 O ATOM 598 CB ASP A 78 15.107 -3.884 95.113 1.00 22.40 C ATOM 599 CG ASP A 78 14.762 -5.357 95.116 1.00 26.86 C ATOM 600 OD1 ASP A 78 13.668 -5.728 95.609 1.00 26.65 O ATOM 601 OD2 ASP A 78 15.563 -6.194 94.652 1.00 25.13 O ATOM 602 N SER A 79 13.919 -0.988 94.930 1.00 23.14 N ATOM 603 CA SER A 79 14.166 0.431 95.157 1.00 22.56 C ATOM 604 C SER A 79 15.341 0.660 96.101 1.00 24.48 C ATOM 605 O SER A 79 15.805 -0.205 96.847 1.00 21.74 O ATOM 606 CB SER A 79 12.912 1.104 95.768 1.00 21.23 C ATOM 607 OG SER A 79 12.898 0.835 97.165 1.00 22.01 O ATOM 608 N GLN A 80 15.764 1.916 96.164 1.00 21.57 N ATOM 609 CA GLN A 80 16.850 2.321 97.061 1.00 25.32 C ATOM 610 C GLN A 80 16.380 2.176 98.514 1.00 26.53 C ATOM 611 O GLN A 80 17.205 1.868 99.361 1.00 25.36 O ATOM 612 CB GLN A 80 17.345 3.719 96.750 1.00 25.01 C ATOM 613 CG GLN A 80 16.383 4.869 97.013 1.00 26.11 C ATOM 614 CD GLN A 80 15.477 5.180 95.860 1.00 30.52 C ATOM 615 OE1 GLN A 80 15.165 4.336 95.004 1.00 29.36 O ATOM 616 NE2 GLN A 80 15.038 6.443 95.772 1.00 29.34 N ATOM 617 N PHE A 81 15.065 2.342 98.756 1.00 22.86 N ATOM 618 CA PHE A 81 14.608 2.173 100.155 1.00 24.37 C ATOM 619 C PHE A 81 14.730 0.727 100.590 1.00 19.93 C ATOM 620 O PHE A 81 15.167 0.447 101.718 1.00 22.92 O ATOM 621 CB PHE A 81 13.152 2.666 100.289 1.00 24.29 C ATOM 622 CG PHE A 81 13.010 4.112 99.876 1.00 22.28 C ATOM 623 CD1 PHE A 81 13.316 5.107 100.811 1.00 24.98 C ATOM 624 CD2 PHE A 81 12.572 4.474 98.620 1.00 17.98 C ATOM 625 CE1 PHE A 81 13.217 6.430 100.431 1.00 26.44 C ATOM 626 CE2 PHE A 81 12.476 5.801 98.220 1.00 22.87 C ATOM 627 CZ PHE A 81 12.800 6.763 99.158 1.00 25.47 C ATOM 628 N THR A 82 14.408 -0.209 99.712 1.00 22.07 N ATOM 629 CA THR A 82 14.591 -1.643 100.014 1.00 20.76 C ATOM 630 C THR A 82 16.077 -1.984 100.145 1.00 23.79 C ATOM 631 O THR A 82 16.455 -2.761 101.032 1.00 23.77 O ATOM 632 CB THR A 82 13.935 -2.472 98.911 1.00 23.07 C ATOM 633 OG1 THR A 82 12.527 -2.170 98.906 1.00 25.54 O ATOM 634 CG2 THR A 82 14.130 -3.977 99.094 1.00 23.96 C ATOM 635 N HIS A 83 16.912 -1.385 99.288 1.00 24.14 N ATOM 636 CA HIS A 83 18.352 -1.637 99.384 1.00 24.64 C ATOM 637 C HIS A 83 18.882 -1.181 100.762 1.00 23.82 C ATOM 638 O HIS A 83 19.621 -1.891 101.401 1.00 23.79 O ATOM 639 CB HIS A 83 19.151 -0.920 98.302 1.00 22.30 C ATOM 640 CG HIS A 83 19.069 -1.473 96.906 1.00 24.07 C ATOM 641 ND1 HIS A 83 18.603 -2.716 96.594 1.00 24.94 N ATOM 642 CD2 HIS A 83 19.437 -0.876 95.739 1.00 26.48 C ATOM 643 CE1 HIS A 83 18.673 -2.881 95.279 1.00 24.82 C ATOM 644 NE2 HIS A 83 19.183 -1.780 94.734 1.00 24.46 N ATOM 645 N LEU A 84 18.468 0.001 101.186 1.00 24.65 N ATOM 646 CA LEU A 84 18.869 0.581 102.454 1.00 23.70 C ATOM 647 C LEU A 84 18.361 -0.228 103.621 1.00 27.57 C ATOM 648 O LEU A 84 19.103 -0.479 104.564 1.00 24.83 O ATOM 649 CB LEU A 84 18.439 2.047 102.558 1.00 23.36 C ATOM 650 CG LEU A 84 18.865 2.698 103.907 1.00 23.25 C ATOM 651 CD1 LEU A 84 20.397 2.709 103.953 1.00 31.13 C ATOM 652 CD2 LEU A 84 18.332 4.121 103.967 1.00 28.82 C ATOM 653 N ALA A 85 17.120 -0.750 103.532 1.00 25.67 N ATOM 654 CA ALA A 85 16.627 -1.633 104.577 1.00 24.40 C ATOM 655 C ALA A 85 17.466 -2.886 104.636 1.00 22.76 C ATOM 656 O ALA A 85 17.666 -3.479 105.710 1.00 24.18 O ATOM 657 CB ALA A 85 15.149 -1.996 104.377 1.00 20.61 C ATOM 658 N TRP A 86 17.964 -3.376 103.483 1.00 22.94 N ATOM 659 CA TRP A 86 18.734 -4.628 103.526 1.00 20.83 C ATOM 660 C TRP A 86 20.168 -4.385 103.984 1.00 21.80 C ATOM 661 O TRP A 86 20.742 -5.199 104.705 1.00 23.74 O ATOM 662 CB TRP A 86 18.699 -5.209 102.090 1.00 21.77 C ATOM 663 CG TRP A 86 19.009 -6.675 102.038 1.00 22.81 C ATOM 664 CD1 TRP A 86 18.922 -7.608 103.025 1.00 25.14 C ATOM 665 CD2 TRP A 86 19.408 -7.388 100.854 1.00 22.17 C ATOM 666 NE1 TRP A 86 19.250 -8.851 102.539 1.00 22.95 N ATOM 667 CE2 TRP A 86 19.544 -8.736 101.205 1.00 23.79 C ATOM 668 CE3 TRP A 86 19.659 -6.980 99.538 1.00 23.70 C ATOM 669 CZ2 TRP A 86 19.948 -9.707 100.288 1.00 22.67 C ATOM 670 CZ3 TRP A 86 20.044 -7.929 98.617 1.00 25.13 C ATOM 671 CH2 TRP A 86 20.197 -9.258 99.028 1.00 20.95 C ATOM 672 N ILE A 87 20.725 -3.220 103.687 1.00 22.08 N ATOM 673 CA ILE A 87 22.035 -2.802 104.210 1.00 23.70 C ATOM 674 C ILE A 87 21.934 -2.657 105.731 1.00 28.47 C ATOM 675 O ILE A 87 22.807 -3.086 106.503 1.00 26.63 O ATOM 676 CB ILE A 87 22.438 -1.506 103.514 1.00 23.90 C ATOM 677 CG1 ILE A 87 22.895 -1.823 102.061 1.00 24.47 C ATOM 678 CG2 ILE A 87 23.562 -0.734 104.211 1.00 28.95 C ATOM 679 CD1 ILE A 87 22.969 -0.575 101.202 1.00 25.75 C ATOM 680 N ASN A 88 20.785 -2.187 106.225 1.00 26.39 N ATOM 681 CA ASN A 88 20.523 -2.036 107.644 1.00 26.81 C ATOM 682 C ASN A 88 20.064 -3.307 108.331 1.00 26.37 C ATOM 683 O ASN A 88 19.576 -3.310 109.480 1.00 30.07 O ATOM 684 CB ASN A 88 19.499 -0.896 107.866 1.00 29.14 C ATOM 685 CG ASN A 88 20.148 0.453 107.666 1.00 30.77 C ATOM 686 OD1 ASN A 88 21.348 0.635 107.897 1.00 32.91 O ATOM 687 ND2 ASN A 88 19.441 1.470 107.181 1.00 28.47 N ATOM 688 N THR A 89 20.235 -4.464 107.726 1.00 25.74 N ATOM 689 CA THR A 89 19.979 -5.784 108.271 1.00 23.96 C ATOM 690 C THR A 89 21.309 -6.507 108.427 1.00 28.36 C ATOM 691 O THR A 89 22.087 -6.560 107.457 1.00 26.96 O ATOM 692 CB THR A 89 19.088 -6.607 107.323 1.00 25.28 C ATOM 693 OG1 THR A 89 17.833 -5.917 107.108 1.00 26.30 O ATOM 694 CG2 THR A 89 18.801 -7.994 107.846 1.00 27.29 C ATOM 695 N PRO A 90 21.639 -6.988 109.606 1.00 29.89 N ATOM 696 CA PRO A 90 22.929 -7.637 109.827 1.00 28.87 C ATOM 697 C PRO A 90 23.135 -8.813 108.888 1.00 29.53 C ATOM 698 O PRO A 90 22.198 -9.556 108.568 1.00 27.73 O ATOM 699 CB PRO A 90 22.836 -8.139 111.278 1.00 31.71 C ATOM 700 CG PRO A 90 21.924 -7.138 111.907 1.00 27.81 C ATOM 701 CD PRO A 90 20.834 -6.906 110.865 1.00 28.14 C ATOM 702 N ARG A 91 24.390 -9.114 108.533 1.00 28.36 N ATOM 703 CA ARG A 91 24.663 -10.232 107.626 1.00 27.28 C ATOM 704 C ARG A 91 24.280 -11.585 108.167 1.00 29.62 C ATOM 705 O ARG A 91 23.779 -12.478 107.474 1.00 30.39 O ATOM 706 CB ARG A 91 26.154 -10.212 107.216 1.00 30.39 C ATOM 707 CG ARG A 91 26.532 -8.906 106.530 1.00 30.08 C ATOM 708 CD ARG A 91 28.009 -8.887 106.114 1.00 27.18 C ATOM 709 NE ARG A 91 28.277 -7.773 105.234 1.00 28.73 N ATOM 710 CZ ARG A 91 29.376 -7.476 104.559 1.00 29.82 C ATOM 711 NH1 ARG A 91 30.450 -8.236 104.679 1.00 26.50 N ATOM 712 NH2 ARG A 91 29.416 -6.400 103.782 1.00 28.07 N ATOM 713 N LYS A 92 24.369 -11.764 109.498 1.00 27.73 N ATOM 714 CA LYS A 92 24.059 -13.007 110.177 1.00 29.91 C ATOM 715 C LYS A 92 22.577 -13.304 110.057 1.00 31.23 C ATOM 716 O LYS A 92 22.131 -14.454 110.044 1.00 32.44 O ATOM 717 CB LYS A 92 24.642 -12.866 111.620 1.00 33.26 C ATOM 718 CG LYS A 92 25.962 -12.069 111.638 1.00 47.01 C ATOM 719 CD LYS A 92 25.958 -10.602 111.363 1.00 27.23 C ATOM 720 CE LYS A 92 27.020 -9.720 110.876 1.00 54.92 C ATOM 721 NZ LYS A 92 26.572 -8.471 110.163 1.00 56.41 N ATOM 722 N GLU A 93 21.750 -12.275 109.801 1.00 31.37 N ATOM 723 CA GLU A 93 20.332 -12.409 109.576 1.00 34.81 C ATOM 724 C GLU A 93 19.967 -12.518 108.092 1.00 34.64 C ATOM 725 O GLU A 93 18.775 -12.590 107.773 1.00 35.91 O ATOM 726 CB GLU A 93 19.564 -11.198 110.153 1.00 37.20 C ATOM 727 CG GLU A 93 19.712 -10.991 111.655 1.00 41.87 C ATOM 728 CD GLU A 93 19.362 -12.299 112.363 1.00 44.60 C ATOM 729 OE1 GLU A 93 18.356 -12.909 111.958 1.00 44.99 O ATOM 730 OE2 GLU A 93 20.100 -12.680 113.294 1.00 52.30 O ATOM 731 N GLY A 94 20.951 -12.505 107.192 1.00 29.31 N ATOM 732 CA GLY A 94 20.648 -12.608 105.767 1.00 26.77 C ATOM 733 C GLY A 94 20.630 -11.208 105.165 1.00 24.27 C ATOM 734 O GLY A 94 20.270 -11.021 103.988 1.00 25.56 O ATOM 735 N GLY A 95 21.161 -10.247 105.901 1.00 25.24 N ATOM 736 CA GLY A 95 21.287 -8.885 105.427 1.00 23.94 C ATOM 737 C GLY A 95 22.579 -8.640 104.652 1.00 25.80 C ATOM 738 O GLY A 95 23.447 -9.495 104.439 1.00 26.83 O ATOM 739 N LEU A 96 22.756 -7.397 104.217 1.00 24.01 N ATOM 740 CA LEU A 96 23.968 -7.015 103.517 1.00 23.35 C ATOM 741 C LEU A 96 24.984 -6.329 104.431 1.00 26.38 C ATOM 742 O LEU A 96 26.195 -6.286 104.160 1.00 25.41 O ATOM 743 CB LEU A 96 23.621 -6.016 102.402 1.00 27.46 C ATOM 744 CG LEU A 96 22.753 -6.578 101.248 1.00 27.20 C ATOM 745 CD1 LEU A 96 22.607 -5.482 100.196 1.00 24.40 C ATOM 746 CD2 LEU A 96 23.406 -7.832 100.686 1.00 26.11 C ATOM 747 N GLY A 97 24.528 -5.816 105.568 1.00 28.19 N ATOM 748 CA GLY A 97 25.448 -5.058 106.430 1.00 30.37 C ATOM 749 C GLY A 97 25.970 -3.906 105.567 1.00 31.99 C ATOM 750 O GLY A 97 25.500 -3.618 104.462 1.00 32.19 O ATOM 751 N PRO A 98 27.015 -3.258 106.058 1.00 34.83 N ATOM 752 CA PRO A 98 27.638 -2.144 105.373 1.00 30.93 C ATOM 753 C PRO A 98 28.325 -2.592 104.095 1.00 30.73 C ATOM 754 O PRO A 98 28.889 -3.700 104.047 1.00 30.24 O ATOM 755 CB PRO A 98 28.661 -1.626 106.398 1.00 33.74 C ATOM 756 CG PRO A 98 29.026 -2.860 107.166 1.00 33.31 C ATOM 757 CD PRO A 98 27.690 -3.558 107.349 1.00 35.68 C ATOM 758 N LEU A 99 28.294 -1.747 103.078 1.00 27.89 N ATOM 759 CA LEU A 99 28.912 -2.108 101.808 1.00 29.42 C ATOM 760 C LEU A 99 29.960 -1.125 101.318 1.00 29.48 C ATOM 761 O LEU A 99 29.802 0.068 101.531 1.00 32.75 O ATOM 762 CB LEU A 99 27.838 -2.029 100.677 1.00 23.73 C ATOM 763 CG LEU A 99 26.689 -3.024 100.805 1.00 29.55 C ATOM 764 CD1 LEU A 99 25.704 -2.845 99.648 1.00 25.68 C ATOM 765 CD2 LEU A 99 27.206 -4.450 100.882 1.00 26.20 C ATOM 766 N ASN A 100 30.932 -1.627 100.547 1.00 30.57 N ATOM 767 CA ASN A 100 31.932 -0.738 99.962 1.00 29.27 C ATOM 768 C ASN A 100 31.687 -0.469 98.487 1.00 32.31 C ATOM 769 O ASN A 100 32.519 0.174 97.832 1.00 31.18 O ATOM 770 CB ASN A 100 33.347 -1.337 100.093 1.00 32.52 C ATOM 771 CG ASN A 100 33.663 -1.665 101.530 1.00 37.67 C ATOM 772 OD1 ASN A 100 33.526 -0.754 102.352 1.00 39.09 O ATOM 773 ND2 ASN A 100 34.005 -2.919 101.772 1.00 31.32 N ATOM 774 N ILE A 101 30.542 -0.902 97.940 1.00 26.80 N ATOM 775 CA ILE A 101 30.208 -0.636 96.555 1.00 29.32 C ATOM 776 C ILE A 101 28.796 -0.038 96.450 1.00 29.43 C ATOM 777 O ILE A 101 27.969 -0.354 97.293 1.00 28.55 O ATOM 778 CB ILE A 101 30.191 -1.958 95.750 1.00 28.44 C ATOM 779 CG1 ILE A 101 29.238 -2.953 96.419 1.00 33.07 C ATOM 780 CG2 ILE A 101 31.581 -2.554 95.570 1.00 31.67 C ATOM 781 CD1 ILE A 101 28.979 -4.227 95.652 1.00 33.04 C ATOM 782 N PRO A 102 28.543 0.729 95.412 1.00 29.33 N ATOM 783 CA PRO A 102 27.221 1.280 95.149 1.00 29.59 C ATOM 784 C PRO A 102 26.235 0.156 94.849 1.00 31.86 C ATOM 785 O PRO A 102 26.545 -0.864 94.224 1.00 27.32 O ATOM 786 CB PRO A 102 27.389 2.182 93.930 1.00 32.61 C ATOM 787 CG PRO A 102 28.872 2.434 93.866 1.00 32.95 C ATOM 788 CD PRO A 102 29.506 1.154 94.371 1.00 29.56 C ATOM 789 N LEU A 103 24.996 0.341 95.321 1.00 26.57 N ATOM 790 CA LEU A 103 23.960 -0.678 95.049 1.00 28.10 C ATOM 791 C LEU A 103 22.855 0.095 94.343 1.00 27.34 C ATOM 792 O LEU A 103 22.245 0.957 94.954 1.00 26.07 O ATOM 793 CB LEU A 103 23.475 -1.353 96.328 1.00 31.53 C ATOM 794 CG LEU A 103 22.864 -2.742 96.202 1.00 37.26 C ATOM 795 CD1 LEU A 103 23.893 -3.771 95.743 1.00 26.15 C ATOM 796 CD2 LEU A 103 22.256 -3.207 97.528 1.00 29.10 C ATOM 797 N LEU A 104 22.675 -0.091 93.043 1.00 24.55 N ATOM 798 CA LEU A 104 21.767 0.690 92.238 1.00 22.92 C ATOM 799 C LEU A 104 20.329 0.171 92.201 1.00 21.03 C ATOM 800 O LEU A 104 20.163 -1.054 92.194 1.00 23.72 O ATOM 801 CB LEU A 104 22.291 0.671 90.780 1.00 26.65 C ATOM 802 CG LEU A 104 23.462 1.649 90.525 1.00 23.30 C ATOM 803 CD1 LEU A 104 24.690 1.310 91.361 1.00 28.10 C ATOM 804 CD2 LEU A 104 23.757 1.608 89.013 1.00 25.09 C ATOM 805 N ALA A 105 19.398 1.087 92.096 1.00 23.28 N ATOM 806 CA ALA A 105 17.982 0.665 92.040 1.00 27.96 C ATOM 807 C ALA A 105 17.538 0.709 90.578 1.00 27.98 C ATOM 808 O ALA A 105 17.630 1.802 90.011 1.00 38.22 O ATOM 809 CB ALA A 105 17.182 1.591 92.928 1.00 24.97 C ATOM 810 N ASP A 106 16.960 -0.331 90.022 1.00 25.94 N ATOM 811 CA ASP A 106 16.494 -0.264 88.616 1.00 26.73 C ATOM 812 C ASP A 106 14.969 -0.385 88.604 1.00 25.62 C ATOM 813 O ASP A 106 14.419 -1.289 87.984 1.00 22.00 O ATOM 814 CB ASP A 106 17.134 -1.390 87.799 1.00 22.90 C ATOM 815 CG ASP A 106 16.822 -1.363 86.330 1.00 25.01 C ATOM 816 OD1 ASP A 106 16.511 -0.270 85.811 1.00 25.95 O ATOM 817 OD2 ASP A 106 16.787 -2.440 85.675 1.00 24.87 O ATOM 818 N VAL A 107 14.302 0.494 89.366 1.00 22.89 N ATOM 819 CA VAL A 107 12.850 0.365 89.522 1.00 27.92 C ATOM 820 C VAL A 107 12.100 0.465 88.196 1.00 28.65 C ATOM 821 O VAL A 107 11.133 -0.291 88.025 1.00 28.40 O ATOM 822 CB VAL A 107 12.245 1.313 90.569 1.00 24.91 C ATOM 823 CG1 VAL A 107 10.781 0.934 90.787 1.00 27.17 C ATOM 824 CG2 VAL A 107 13.020 1.169 91.898 1.00 26.41 C ATOM 825 N THR A 108 12.599 1.241 87.241 1.00 26.80 N ATOM 826 CA THR A 108 11.901 1.277 85.931 1.00 33.50 C ATOM 827 C THR A 108 12.194 0.042 85.089 1.00 32.22 C ATOM 828 O THR A 108 11.576 -0.170 84.039 1.00 30.95 O ATOM 829 CB THR A 108 12.234 2.545 85.130 1.00 35.93 C ATOM 830 OG1 THR A 108 13.627 2.510 84.765 1.00 33.76 O ATOM 831 CG2 THR A 108 12.077 3.827 85.946 1.00 34.69 C ATOM 832 N ARG A 109 13.224 -0.738 85.441 1.00 29.06 N ATOM 833 CA ARG A 109 13.667 -1.888 84.671 1.00 27.27 C ATOM 834 C ARG A 109 14.382 -1.432 83.385 1.00 28.47 C ATOM 835 O ARG A 109 14.695 -2.263 82.547 1.00 27.27 O ATOM 836 CB ARG A 109 12.613 -2.918 84.338 1.00 25.36 C ATOM 837 CG ARG A 109 12.269 -3.971 85.380 1.00 29.65 C ATOM 838 CD ARG A 109 11.500 -3.402 86.566 1.00 28.36 C ATOM 839 NE ARG A 109 11.073 -4.464 87.496 1.00 33.19 N ATOM 840 CZ ARG A 109 10.610 -4.362 88.733 1.00 37.11 C ATOM 841 NH1 ARG A 109 10.464 -3.189 89.337 1.00 35.39 N ATOM 842 NH2 ARG A 109 10.273 -5.440 89.444 1.00 31.96 N ATOM 843 N ARG A 110 14.699 -0.158 83.252 1.00 24.50 N ATOM 844 CA ARG A 110 15.386 0.320 82.060 1.00 29.53 C ATOM 845 C ARG A 110 16.795 -0.278 81.942 1.00 29.60 C ATOM 846 O ARG A 110 17.193 -0.594 80.809 1.00 27.07 O ATOM 847 CB ARG A 110 15.558 1.855 82.036 1.00 30.05 C ATOM 848 CG ARG A 110 16.283 2.224 80.730 1.00 40.76 C ATOM 849 CD ARG A 110 16.366 3.694 80.430 1.00 58.49 C ATOM 850 NE ARG A 110 16.596 3.897 78.992 1.00 67.55 N ATOM 851 CZ ARG A 110 16.530 5.085 78.402 1.00 71.51 C ATOM 852 NH1 ARG A 110 16.256 6.172 79.112 1.00 73.15 N ATOM 853 NH2 ARG A 110 16.740 5.188 77.096 1.00 76.39 N ATOM 854 N LEU A 111 17.525 -0.348 83.060 1.00 28.78 N ATOM 855 CA LEU A 111 18.890 -0.876 82.947 1.00 27.35 C ATOM 856 C LEU A 111 18.824 -2.353 82.572 1.00 28.15 C ATOM 857 O LEU A 111 19.554 -2.808 81.690 1.00 26.31 O ATOM 858 CB LEU A 111 19.698 -0.711 84.238 1.00 26.86 C ATOM 859 CG LEU A 111 20.225 0.710 84.490 1.00 32.92 C ATOM 860 CD1 LEU A 111 19.067 1.667 84.739 1.00 38.19 C ATOM 861 CD2 LEU A 111 21.232 0.719 85.627 1.00 30.50 C ATOM 862 N SER A 112 17.940 -3.072 83.282 1.00 23.47 N ATOM 863 CA SER A 112 17.806 -4.506 83.030 1.00 23.10 C ATOM 864 C SER A 112 17.387 -4.784 81.581 1.00 26.91 C ATOM 865 O SER A 112 17.797 -5.779 80.985 1.00 28.89 O ATOM 866 CB SER A 112 16.803 -5.136 83.992 1.00 25.94 C ATOM 867 OG SER A 112 17.341 -5.080 85.310 1.00 22.92 O ATOM 868 N GLU A 113 16.481 -3.964 81.058 1.00 23.34 N ATOM 869 CA GLU A 113 16.099 -4.080 79.646 1.00 23.89 C ATOM 870 C GLU A 113 17.233 -3.756 78.686 1.00 26.27 C ATOM 871 O GLU A 113 17.487 -4.513 77.719 1.00 25.64 O ATOM 872 CB GLU A 113 14.882 -3.181 79.400 1.00 26.91 C ATOM 873 CG GLU A 113 13.644 -3.912 79.943 1.00 34.02 C ATOM 874 CD GLU A 113 12.383 -3.080 79.965 1.00 46.53 C ATOM 875 OE1 GLU A 113 12.456 -1.848 79.779 1.00 46.38 O ATOM 876 OE2 GLU A 113 11.309 -3.678 80.182 1.00 47.90 O ATOM 877 N ASP A 114 17.913 -2.642 78.891 1.00 26.62 N ATOM 878 CA ASP A 114 19.040 -2.270 78.063 1.00 26.41 C ATOM 879 C ASP A 114 20.152 -3.331 78.054 1.00 29.26 C ATOM 880 O ASP A 114 20.832 -3.478 77.024 1.00 28.42 O ATOM 881 CB ASP A 114 19.674 -0.941 78.497 1.00 27.17 C ATOM 882 CG ASP A 114 18.878 0.276 78.045 1.00 35.21 C ATOM 883 OD1 ASP A 114 18.072 0.108 77.111 1.00 41.25 O ATOM 884 OD2 ASP A 114 19.073 1.412 78.524 1.00 35.36 O ATOM 885 N TYR A 115 20.379 -4.059 79.139 1.00 24.12 N ATOM 886 CA TYR A 115 21.442 -5.059 79.206 1.00 25.45 C ATOM 887 C TYR A 115 20.917 -6.431 78.844 1.00 24.17 C ATOM 888 O TYR A 115 21.662 -7.405 78.939 1.00 26.60 O ATOM 889 CB TYR A 115 22.180 -5.034 80.567 1.00 27.10 C ATOM 890 CG TYR A 115 23.160 -3.870 80.572 1.00 26.56 C ATOM 891 CD1 TYR A 115 22.764 -2.559 80.733 1.00 25.44 C ATOM 892 CD2 TYR A 115 24.520 -4.133 80.342 1.00 26.61 C ATOM 893 CE1 TYR A 115 23.691 -1.522 80.702 1.00 28.38 C ATOM 894 CE2 TYR A 115 25.433 -3.096 80.302 1.00 26.00 C ATOM 895 CZ TYR A 115 25.015 -1.800 80.463 1.00 29.70 C ATOM 896 OH TYR A 115 25.941 -0.789 80.406 1.00 28.46 O ATOM 897 N GLY A 116 19.629 -6.536 78.516 1.00 25.50 N ATOM 898 CA GLY A 116 18.965 -7.745 78.116 1.00 24.16 C ATOM 899 C GLY A 116 18.939 -8.872 79.128 1.00 28.31 C ATOM 900 O GLY A 116 18.937 -10.038 78.763 1.00 28.19 O ATOM 901 N VAL A 117 18.878 -8.533 80.418 1.00 22.99 N ATOM 902 CA VAL A 117 18.919 -9.576 81.446 1.00 23.64 C ATOM 903 C VAL A 117 17.571 -9.728 82.155 1.00 26.20 C ATOM 904 O VAL A 117 17.518 -10.559 83.076 1.00 25.88 O ATOM 905 CB VAL A 117 20.015 -9.284 82.480 1.00 27.18 C ATOM 906 CG1 VAL A 117 21.407 -9.422 81.822 1.00 25.90 C ATOM 907 CG2 VAL A 117 19.908 -7.875 83.058 1.00 24.74 C ATOM 908 N LEU A 118 16.535 -9.015 81.726 1.00 25.53 N ATOM 909 CA LEU A 118 15.275 -9.231 82.469 1.00 29.76 C ATOM 910 C LEU A 118 14.722 -10.617 82.247 1.00 31.73 C ATOM 911 O LEU A 118 14.703 -11.159 81.122 1.00 36.34 O ATOM 912 CB LEU A 118 14.332 -8.089 82.100 1.00 25.97 C ATOM 913 CG LEU A 118 13.196 -7.740 83.059 1.00 40.66 C ATOM 914 CD1 LEU A 118 13.736 -7.207 84.376 1.00 34.45 C ATOM 915 CD2 LEU A 118 12.241 -6.744 82.411 1.00 42.17 C ATOM 916 N LYS A 119 14.310 -11.312 83.295 1.00 31.47 N ATOM 917 CA LYS A 119 13.574 -12.579 83.177 1.00 30.91 C ATOM 918 C LYS A 119 12.117 -12.097 83.062 1.00 33.30 C ATOM 919 O LYS A 119 11.505 -11.720 84.056 1.00 28.77 O ATOM 920 CB LYS A 119 13.822 -13.482 84.372 1.00 27.51 C ATOM 921 CG LYS A 119 13.029 -14.769 84.391 1.00 29.72 C ATOM 922 CD LYS A 119 13.484 -15.692 85.513 1.00 32.14 C ATOM 923 CE LYS A 119 12.679 -16.985 85.457 1.00 44.00 C ATOM 924 NZ LYS A 119 13.529 -18.117 85.928 1.00 57.67 N ATOM 925 N THR A 120 11.598 -11.912 81.844 1.00 36.61 N ATOM 926 CA THR A 120 10.311 -11.262 81.632 1.00 35.16 C ATOM 927 C THR A 120 9.113 -11.773 82.395 1.00 34.95 C ATOM 928 O THR A 120 8.296 -10.954 82.853 1.00 37.30 O ATOM 929 CB THR A 120 9.922 -11.221 80.130 1.00 40.96 C ATOM 930 OG1 THR A 120 11.076 -10.739 79.426 1.00 52.21 O ATOM 931 CG2 THR A 120 8.793 -10.214 79.944 1.00 37.98 C ATOM 932 N ASP A 121 8.964 -13.084 82.546 1.00 31.65 N ATOM 933 CA ASP A 121 7.811 -13.600 83.291 1.00 32.40 C ATOM 934 C ASP A 121 7.844 -13.304 84.766 1.00 32.68 C ATOM 935 O ASP A 121 6.791 -13.414 85.429 1.00 34.66 O ATOM 936 CB ASP A 121 7.667 -15.096 82.975 1.00 34.18 C ATOM 937 CG ASP A 121 8.782 -15.952 83.525 1.00 39.98 C ATOM 938 OD1 ASP A 121 9.761 -15.426 84.092 1.00 42.68 O ATOM 939 OD2 ASP A 121 8.713 -17.198 83.419 1.00 44.91 O ATOM 940 N GLU A 122 8.963 -12.872 85.370 1.00 26.78 N ATOM 941 CA GLU A 122 9.034 -12.540 86.766 1.00 27.69 C ATOM 942 C GLU A 122 9.360 -11.062 87.024 1.00 26.26 C ATOM 943 O GLU A 122 9.257 -10.640 88.166 1.00 25.31 O ATOM 944 CB GLU A 122 10.080 -13.395 87.515 1.00 33.80 C ATOM 945 CG GLU A 122 9.629 -14.831 87.708 1.00 35.82 C ATOM 946 CD GLU A 122 10.536 -15.586 88.672 1.00 42.24 C ATOM 947 OE1 GLU A 122 10.620 -15.219 89.864 1.00 43.38 O ATOM 948 OE2 GLU A 122 11.157 -16.566 88.215 1.00 44.32 O ATOM 949 N GLY A 123 9.850 -10.358 86.015 1.00 25.74 N ATOM 950 CA GLY A 123 10.177 -8.957 86.132 1.00 25.15 C ATOM 951 C GLY A 123 11.456 -8.661 86.897 1.00 25.02 C ATOM 952 O GLY A 123 11.631 -7.573 87.449 1.00 23.24 O ATOM 953 N ILE A 124 12.326 -9.678 87.010 1.00 22.82 N ATOM 954 CA ILE A 124 13.585 -9.573 87.738 1.00 23.05 C ATOM 955 C ILE A 124 14.780 -9.826 86.807 1.00 23.66 C ATOM 956 O ILE A 124 14.638 -10.558 85.832 1.00 24.85 O ATOM 957 CB ILE A 124 13.650 -10.567 88.910 1.00 24.48 C ATOM 958 CG1 ILE A 124 13.605 -12.022 88.432 1.00 23.60 C ATOM 959 CG2 ILE A 124 12.508 -10.272 89.919 1.00 23.56 C ATOM 960 CD1 ILE A 124 13.448 -13.053 89.539 1.00 29.13 C ATOM 961 N ALA A 125 15.943 -9.283 87.189 1.00 20.49 N ATOM 962 CA ALA A 125 17.119 -9.539 86.348 1.00 20.24 C ATOM 963 C ALA A 125 17.733 -10.904 86.656 1.00 20.07 C ATOM 964 O ALA A 125 17.868 -11.274 87.832 1.00 23.33 O ATOM 965 CB ALA A 125 18.221 -8.522 86.642 1.00 22.33 C ATOM 966 N TYR A 126 18.182 -11.572 85.588 1.00 22.33 N ATOM 967 CA TYR A 126 19.046 -12.738 85.716 1.00 20.47 C ATOM 968 C TYR A 126 20.414 -12.300 86.250 1.00 22.26 C ATOM 969 O TYR A 126 20.716 -11.106 86.385 1.00 22.06 O ATOM 970 CB TYR A 126 19.244 -13.355 84.313 1.00 23.33 C ATOM 971 CG TYR A 126 18.187 -14.391 83.957 1.00 26.27 C ATOM 972 CD1 TYR A 126 18.054 -15.538 84.727 1.00 26.61 C ATOM 973 CD2 TYR A 126 17.319 -14.208 82.898 1.00 27.90 C ATOM 974 CE1 TYR A 126 17.090 -16.504 84.464 1.00 26.78 C ATOM 975 CE2 TYR A 126 16.348 -15.159 82.605 1.00 27.01 C ATOM 976 CZ TYR A 126 16.264 -16.299 83.382 1.00 28.94 C ATOM 977 OH TYR A 126 15.276 -17.230 83.121 1.00 31.20 O ATOM 978 N ARG A 127 21.273 -13.232 86.627 1.00 22.06 N ATOM 979 CA ARG A 127 22.601 -12.917 87.162 1.00 22.28 C ATOM 980 C ARG A 127 23.580 -12.576 86.042 1.00 23.97 C ATOM 981 O ARG A 127 24.516 -13.315 85.731 1.00 23.11 O ATOM 982 CB ARG A 127 23.123 -14.137 87.936 1.00 25.19 C ATOM 983 CG ARG A 127 22.336 -14.450 89.199 1.00 24.30 C ATOM 984 CD ARG A 127 23.030 -15.522 90.101 1.00 22.22 C ATOM 985 NE ARG A 127 21.892 -15.949 90.938 1.00 26.34 N ATOM 986 CZ ARG A 127 21.388 -15.205 91.927 1.00 25.60 C ATOM 987 NH1 ARG A 127 21.962 -14.080 92.281 1.00 23.48 N ATOM 988 NH2 ARG A 127 20.259 -15.669 92.476 1.00 21.00 N ATOM 989 N GLY A 128 23.424 -11.381 85.499 1.00 21.36 N ATOM 990 CA GLY A 128 24.250 -10.928 84.394 1.00 22.10 C ATOM 991 C GLY A 128 25.329 -9.982 84.905 1.00 22.69 C ATOM 992 O GLY A 128 25.000 -9.022 85.566 1.00 22.97 O ATOM 993 N LEU A 129 26.571 -10.239 84.526 1.00 20.69 N ATOM 994 CA LEU A 129 27.715 -9.403 84.898 1.00 21.33 C ATOM 995 C LEU A 129 28.386 -8.940 83.608 1.00 22.34 C ATOM 996 O LEU A 129 28.457 -9.672 82.618 1.00 24.27 O ATOM 997 CB LEU A 129 28.653 -10.170 85.827 1.00 22.78 C ATOM 998 CG LEU A 129 30.017 -9.554 86.120 1.00 23.57 C ATOM 999 CD1 LEU A 129 30.507 -10.109 87.469 1.00 26.83 C ATOM 1000 CD2 LEU A 129 31.034 -9.895 85.022 1.00 21.54 C ATOM 1001 N PHE A 130 28.760 -7.658 83.561 1.00 19.89 N ATOM 1002 CA PHE A 130 29.286 -7.036 82.353 1.00 20.80 C ATOM 1003 C PHE A 130 30.614 -6.370 82.688 1.00 26.75 C ATOM 1004 O PHE A 130 30.679 -5.649 83.662 1.00 25.21 O ATOM 1005 CB PHE A 130 28.238 -6.002 81.872 1.00 23.22 C ATOM 1006 CG PHE A 130 26.944 -6.698 81.459 1.00 22.87 C ATOM 1007 CD1 PHE A 130 26.800 -7.253 80.203 1.00 22.54 C ATOM 1008 CD2 PHE A 130 25.909 -6.805 82.392 1.00 21.26 C ATOM 1009 CE1 PHE A 130 25.642 -7.925 79.850 1.00 23.19 C ATOM 1010 CE2 PHE A 130 24.767 -7.490 82.022 1.00 20.90 C ATOM 1011 CZ PHE A 130 24.601 -8.038 80.765 1.00 24.46 C ATOM 1012 N ILE A 131 31.630 -6.645 81.854 1.00 23.56 N ATOM 1013 CA ILE A 131 32.938 -5.995 82.124 1.00 23.73 C ATOM 1014 C ILE A 131 33.076 -4.917 81.068 1.00 28.08 C ATOM 1015 O ILE A 131 32.976 -5.192 79.859 1.00 26.33 O ATOM 1016 CB ILE A 131 34.080 -7.009 82.126 1.00 22.75 C ATOM 1017 CG1 ILE A 131 33.960 -8.018 83.246 1.00 22.38 C ATOM 1018 CG2 ILE A 131 35.419 -6.243 82.303 1.00 25.73 C ATOM 1019 CD1 ILE A 131 34.966 -9.140 83.247 1.00 27.47 C ATOM 1020 N ILE A 132 33.175 -3.657 81.501 1.00 27.26 N ATOM 1021 CA ILE A 132 33.221 -2.502 80.607 1.00 24.49 C ATOM 1022 C ILE A 132 34.593 -1.843 80.801 1.00 26.08 C ATOM 1023 O ILE A 132 35.064 -1.768 81.925 1.00 25.36 O ATOM 1024 CB ILE A 132 32.084 -1.521 80.961 1.00 28.04 C ATOM 1025 CG1 ILE A 132 30.680 -2.176 80.801 1.00 27.92 C ATOM 1026 CG2 ILE A 132 32.080 -0.268 80.101 1.00 26.26 C ATOM 1027 CD1 ILE A 132 29.594 -1.402 81.539 1.00 26.82 C ATOM 1028 N ASP A 133 35.276 -1.497 79.698 1.00 28.81 N ATOM 1029 CA ASP A 133 36.621 -0.910 79.880 1.00 26.59 C ATOM 1030 C ASP A 133 36.548 0.596 80.105 1.00 33.12 C ATOM 1031 O ASP A 133 35.504 1.241 80.049 1.00 28.87 O ATOM 1032 CB ASP A 133 37.514 -1.231 78.681 1.00 31.41 C ATOM 1033 CG ASP A 133 37.142 -0.634 77.366 1.00 28.66 C ATOM 1034 OD1 ASP A 133 36.393 0.360 77.253 1.00 29.79 O ATOM 1035 OD2 ASP A 133 37.597 -1.160 76.270 1.00 31.49 O ATOM 1036 N GLY A 134 37.759 1.200 80.231 1.00 31.30 N ATOM 1037 CA GLY A 134 37.842 2.641 80.443 1.00 33.94 C ATOM 1038 C GLY A 134 37.386 3.520 79.327 1.00 34.15 C ATOM 1039 O GLY A 134 37.065 4.702 79.537 1.00 37.94 O ATOM 1040 N LYS A 135 37.205 3.007 78.104 1.00 38.02 N ATOM 1041 CA LYS A 135 36.679 3.783 76.996 1.00 41.25 C ATOM 1042 C LYS A 135 35.171 3.628 76.857 1.00 40.93 C ATOM 1043 O LYS A 135 34.540 4.183 75.965 1.00 41.41 O ATOM 1044 CB LYS A 135 37.389 3.398 75.687 1.00 47.68 C ATOM 1045 CG LYS A 135 38.905 3.511 75.807 1.00 54.44 C ATOM 1046 CD LYS A 135 39.582 3.296 74.464 1.00 66.97 C ATOM 1047 CE LYS A 135 41.061 3.661 74.523 1.00 68.55 C ATOM 1048 NZ LYS A 135 41.599 3.915 73.157 1.00 68.43 N ATOM 1049 N GLY A 136 34.568 2.877 77.785 1.00 39.80 N ATOM 1050 CA GLY A 136 33.132 2.686 77.814 1.00 33.51 C ATOM 1051 C GLY A 136 32.652 1.524 76.982 1.00 32.92 C ATOM 1052 O GLY A 136 31.446 1.335 76.794 1.00 36.36 O ATOM 1053 N VAL A 137 33.573 0.701 76.490 1.00 31.02 N ATOM 1054 CA VAL A 137 33.263 -0.400 75.598 1.00 29.11 C ATOM 1055 C VAL A 137 33.030 -1.707 76.344 1.00 26.35 C ATOM 1056 O VAL A 137 33.804 -2.033 77.209 1.00 28.11 O ATOM 1057 CB VAL A 137 34.417 -0.580 74.573 1.00 35.03 C ATOM 1058 CG1 VAL A 137 34.244 -1.819 73.717 1.00 28.15 C ATOM 1059 CG2 VAL A 137 34.462 0.674 73.699 1.00 36.00 C ATOM 1060 N LEU A 138 31.988 -2.446 75.958 1.00 28.69 N ATOM 1061 CA LEU A 138 31.713 -3.717 76.642 1.00 24.24 C ATOM 1062 C LEU A 138 32.721 -4.766 76.181 1.00 26.23 C ATOM 1063 O LEU A 138 32.894 -4.921 74.953 1.00 28.64 O ATOM 1064 CB LEU A 138 30.300 -4.207 76.274 1.00 24.49 C ATOM 1065 CG LEU A 138 29.901 -5.542 76.910 1.00 25.15 C ATOM 1066 CD1 LEU A 138 29.881 -5.464 78.442 1.00 23.33 C ATOM 1067 CD2 LEU A 138 28.504 -5.940 76.409 1.00 23.41 C ATOM 1068 N ARG A 139 33.315 -5.488 77.116 1.00 23.01 N ATOM 1069 CA ARG A 139 34.297 -6.496 76.766 1.00 23.32 C ATOM 1070 C ARG A 139 33.891 -7.918 77.140 1.00 25.56 C ATOM 1071 O ARG A 139 34.474 -8.846 76.589 1.00 23.97 O ATOM 1072 CB ARG A 139 35.633 -6.200 77.459 1.00 26.48 C ATOM 1073 CG ARG A 139 36.184 -4.808 77.273 1.00 25.49 C ATOM 1074 CD ARG A 139 36.273 -4.316 75.845 1.00 28.72 C ATOM 1075 NE ARG A 139 37.280 -5.051 75.084 1.00 28.09 N ATOM 1076 CZ ARG A 139 38.584 -4.903 75.221 1.00 35.31 C ATOM 1077 NH1 ARG A 139 39.084 -4.036 76.097 1.00 33.58 N ATOM 1078 NH2 ARG A 139 39.396 -5.645 74.465 1.00 33.55 N ATOM 1079 N GLN A 140 32.934 -8.073 78.072 1.00 22.95 N ATOM 1080 CA GLN A 140 32.633 -9.447 78.513 1.00 20.55 C ATOM 1081 C GLN A 140 31.216 -9.508 79.088 1.00 26.81 C ATOM 1082 O GLN A 140 30.789 -8.545 79.706 1.00 22.74 O ATOM 1083 CB GLN A 140 33.628 -9.834 79.597 1.00 23.22 C ATOM 1084 CG GLN A 140 33.962 -11.253 79.899 1.00 24.01 C ATOM 1085 CD GLN A 140 32.853 -12.020 80.586 1.00 34.13 C ATOM 1086 OE1 GLN A 140 32.134 -11.490 81.456 1.00 26.45 O ATOM 1087 NE2 GLN A 140 32.716 -13.279 80.207 1.00 21.14 N ATOM 1088 N ILE A 141 30.549 -10.614 78.803 1.00 23.21 N ATOM 1089 CA ILE A 141 29.184 -10.839 79.277 1.00 22.63 C ATOM 1090 C ILE A 141 29.152 -12.160 80.023 1.00 25.34 C ATOM 1091 O ILE A 141 29.592 -13.164 79.446 1.00 22.67 O ATOM 1092 CB ILE A 141 28.217 -10.955 78.077 1.00 23.83 C ATOM 1093 CG1 ILE A 141 28.087 -9.633 77.340 1.00 24.61 C ATOM 1094 CG2 ILE A 141 26.788 -11.388 78.503 1.00 27.54 C ATOM 1095 CD1 ILE A 141 27.426 -9.713 75.979 1.00 22.84 C ATOM 1096 N THR A 142 28.664 -12.208 81.276 1.00 23.74 N ATOM 1097 CA THR A 142 28.563 -13.445 82.020 1.00 22.54 C ATOM 1098 C THR A 142 27.126 -13.494 82.593 1.00 24.97 C ATOM 1099 O THR A 142 26.784 -12.569 83.335 1.00 27.23 O ATOM 1100 CB THR A 142 29.557 -13.493 83.191 1.00 29.35 C ATOM 1101 OG1 THR A 142 30.888 -13.566 82.657 1.00 25.55 O ATOM 1102 CG2 THR A 142 29.350 -14.678 84.128 1.00 24.69 C ATOM 1103 N VAL A 143 26.347 -14.504 82.223 1.00 23.27 N ATOM 1104 CA VAL A 143 24.963 -14.537 82.759 1.00 23.63 C ATOM 1105 C VAL A 143 24.663 -15.935 83.288 1.00 23.23 C ATOM 1106 O VAL A 143 24.771 -16.931 82.572 1.00 23.81 O ATOM 1107 CB VAL A 143 23.896 -14.188 81.717 1.00 26.49 C ATOM 1108 CG1 VAL A 143 22.540 -14.017 82.428 1.00 23.03 C ATOM 1109 CG2 VAL A 143 24.191 -12.937 80.887 1.00 21.99 C ATOM 1110 N ASN A 144 24.270 -16.002 84.574 1.00 20.97 N ATOM 1111 CA ASN A 144 23.930 -17.275 85.171 1.00 21.46 C ATOM 1112 C ASN A 144 22.415 -17.372 85.392 1.00 24.12 C ATOM 1113 O ASN A 144 21.771 -16.384 85.749 1.00 20.91 O ATOM 1114 CB ASN A 144 24.562 -17.415 86.575 1.00 26.08 C ATOM 1115 CG ASN A 144 26.053 -17.693 86.529 1.00 26.72 C ATOM 1116 OD1 ASN A 144 26.671 -17.479 85.479 1.00 23.24 O ATOM 1117 ND2 ASN A 144 26.601 -18.135 87.672 1.00 23.11 N ATOM 1118 N ASP A 145 21.899 -18.593 85.286 1.00 23.28 N ATOM 1119 CA ASP A 145 20.484 -18.788 85.687 1.00 24.46 C ATOM 1120 C ASP A 145 20.478 -18.486 87.189 1.00 26.19 C ATOM 1121 O ASP A 145 21.490 -18.475 87.908 1.00 23.51 O ATOM 1122 CB ASP A 145 20.107 -20.219 85.331 1.00 23.48 C ATOM 1123 CG ASP A 145 18.635 -20.582 85.547 1.00 29.65 C ATOM 1124 OD1 ASP A 145 17.801 -19.700 85.835 1.00 27.29 O ATOM 1125 OD2 ASP A 145 18.334 -21.781 85.406 1.00 28.06 O ATOM 1126 N LEU A 146 19.312 -18.350 87.810 1.00 24.88 N ATOM 1127 CA LEU A 146 19.136 -17.957 89.189 1.00 20.71 C ATOM 1128 C LEU A 146 19.787 -18.722 90.310 1.00 21.65 C ATOM 1129 O LEU A 146 20.228 -18.169 91.335 1.00 24.66 O ATOM 1130 CB LEU A 146 17.605 -17.929 89.471 1.00 20.95 C ATOM 1131 CG LEU A 146 16.825 -17.040 88.487 1.00 29.59 C ATOM 1132 CD1 LEU A 146 15.369 -16.972 88.963 1.00 31.81 C ATOM 1133 CD2 LEU A 146 17.448 -15.659 88.407 1.00 26.91 C ATOM 1134 N PRO A 147 19.822 -20.062 90.235 1.00 24.61 N ATOM 1135 CA PRO A 147 20.294 -20.821 91.399 1.00 26.94 C ATOM 1136 C PRO A 147 21.775 -20.921 91.638 1.00 27.68 C ATOM 1137 O PRO A 147 22.190 -21.520 92.646 1.00 28.59 O ATOM 1138 CB PRO A 147 19.699 -22.213 91.201 1.00 30.38 C ATOM 1139 CG PRO A 147 19.146 -22.266 89.849 1.00 31.14 C ATOM 1140 CD PRO A 147 19.231 -20.909 89.213 1.00 25.70 C ATOM 1141 N VAL A 148 22.613 -20.387 90.756 1.00 22.74 N ATOM 1142 CA VAL A 148 24.074 -20.504 90.884 1.00 21.24 C ATOM 1143 C VAL A 148 24.749 -19.138 90.845 1.00 25.50 C ATOM 1144 O VAL A 148 24.551 -18.355 89.892 1.00 24.34 O ATOM 1145 CB VAL A 148 24.616 -21.380 89.750 1.00 27.67 C ATOM 1146 CG1 VAL A 148 26.139 -21.316 89.665 1.00 24.09 C ATOM 1147 CG2 VAL A 148 24.132 -22.825 89.898 1.00 24.90 C ATOM 1148 N GLY A 149 25.526 -18.852 91.888 1.00 22.92 N ATOM 1149 CA GLY A 149 26.218 -17.587 91.992 1.00 22.93 C ATOM 1150 C GLY A 149 27.444 -17.518 91.065 1.00 23.69 C ATOM 1151 O GLY A 149 27.911 -18.563 90.631 1.00 23.80 O ATOM 1152 N ARG A 150 27.882 -16.311 90.815 1.00 23.61 N ATOM 1153 CA ARG A 150 29.049 -16.043 89.974 1.00 24.54 C ATOM 1154 C ARG A 150 30.321 -16.172 90.816 1.00 24.07 C ATOM 1155 O ARG A 150 30.234 -16.537 91.982 1.00 24.12 O ATOM 1156 CB ARG A 150 28.867 -14.622 89.401 1.00 24.42 C ATOM 1157 CG ARG A 150 27.763 -14.650 88.308 1.00 20.06 C ATOM 1158 CD ARG A 150 27.272 -13.217 88.021 1.00 22.39 C ATOM 1159 NE ARG A 150 26.420 -12.789 89.153 1.00 20.88 N ATOM 1160 CZ ARG A 150 25.609 -11.737 89.083 1.00 26.50 C ATOM 1161 NH1 ARG A 150 25.540 -10.987 87.998 1.00 21.33 N ATOM 1162 NH2 ARG A 150 24.844 -11.428 90.132 1.00 21.66 N ATOM 1163 N SER A 151 31.467 -15.852 90.212 1.00 24.08 N ATOM 1164 CA SER A 151 32.763 -15.972 90.889 1.00 23.90 C ATOM 1165 C SER A 151 33.510 -14.640 90.874 1.00 24.67 C ATOM 1166 O SER A 151 33.855 -14.108 89.813 1.00 23.86 O ATOM 1167 CB SER A 151 33.624 -16.961 90.099 1.00 27.81 C ATOM 1168 OG SER A 151 34.991 -16.810 90.543 1.00 29.49 O ATOM 1169 N VAL A 152 33.808 -14.113 92.059 1.00 21.82 N ATOM 1170 CA VAL A 152 34.580 -12.861 92.099 1.00 22.81 C ATOM 1171 C VAL A 152 35.993 -13.144 91.569 1.00 24.22 C ATOM 1172 O VAL A 152 36.508 -12.276 90.886 1.00 28.49 O ATOM 1173 CB VAL A 152 34.603 -12.299 93.530 1.00 25.98 C ATOM 1174 CG1 VAL A 152 35.454 -11.055 93.596 1.00 24.09 C ATOM 1175 CG2 VAL A 152 33.142 -11.996 93.939 1.00 29.06 C ATOM 1176 N ASP A 153 36.567 -14.311 91.858 1.00 25.20 N ATOM 1177 CA ASP A 153 37.895 -14.605 91.319 1.00 27.20 C ATOM 1178 C ASP A 153 37.885 -14.509 89.784 1.00 28.43 C ATOM 1179 O ASP A 153 38.819 -13.922 89.236 1.00 27.79 O ATOM 1180 CB ASP A 153 38.365 -16.019 91.677 1.00 26.50 C ATOM 1181 CG ASP A 153 38.827 -16.216 93.102 1.00 37.93 C ATOM 1182 OD1 ASP A 153 39.182 -15.231 93.773 1.00 38.73 O ATOM 1183 OD2 ASP A 153 38.871 -17.385 93.549 1.00 41.42 O ATOM 1184 N GLU A 154 36.904 -15.120 89.124 1.00 26.48 N ATOM 1185 CA GLU A 154 36.868 -15.093 87.637 1.00 23.93 C ATOM 1186 C GLU A 154 36.662 -13.687 87.133 1.00 27.18 C ATOM 1187 O GLU A 154 37.271 -13.245 86.149 1.00 26.82 O ATOM 1188 CB GLU A 154 35.816 -16.072 87.130 1.00 24.44 C ATOM 1189 CG GLU A 154 35.637 -16.145 85.615 1.00 23.53 C ATOM 1190 CD GLU A 154 36.904 -16.609 84.881 1.00 30.29 C ATOM 1191 OE1 GLU A 154 37.918 -16.963 85.518 1.00 26.72 O ATOM 1192 OE2 GLU A 154 36.887 -16.603 83.627 1.00 28.65 O ATOM 1193 N ALA A 155 35.818 -12.865 87.778 1.00 23.34 N ATOM 1194 CA ALA A 155 35.644 -11.499 87.339 1.00 24.31 C ATOM 1195 C ALA A 155 36.978 -10.746 87.443 1.00 26.77 C ATOM 1196 O ALA A 155 37.295 -9.947 86.567 1.00 29.00 O ATOM 1197 CB ALA A 155 34.574 -10.765 88.156 1.00 25.35 C ATOM 1198 N LEU A 156 37.701 -10.924 88.546 1.00 25.37 N ATOM 1199 CA LEU A 156 39.010 -10.288 88.690 1.00 28.42 C ATOM 1200 C LEU A 156 39.983 -10.808 87.617 1.00 25.37 C ATOM 1201 O LEU A 156 40.666 -9.973 87.042 1.00 27.11 O ATOM 1202 CB LEU A 156 39.596 -10.519 90.084 1.00 26.31 C ATOM 1203 CG LEU A 156 40.786 -9.613 90.444 1.00 30.82 C ATOM 1204 CD1 LEU A 156 40.360 -8.155 90.439 1.00 32.86 C ATOM 1205 CD2 LEU A 156 41.345 -9.988 91.804 1.00 34.70 C ATOM 1206 N ARG A 157 40.034 -12.102 87.359 1.00 27.14 N ATOM 1207 CA ARG A 157 40.933 -12.642 86.321 1.00 26.21 C ATOM 1208 C ARG A 157 40.663 -12.006 84.981 1.00 29.62 C ATOM 1209 O ARG A 157 41.552 -11.599 84.230 1.00 27.92 O ATOM 1210 CB ARG A 157 40.778 -14.160 86.227 1.00 30.82 C ATOM 1211 CG ARG A 157 41.798 -14.880 85.329 1.00 30.89 C ATOM 1212 CD ARG A 157 41.401 -16.347 85.126 1.00 29.12 C ATOM 1213 NE ARG A 157 40.324 -16.503 84.130 1.00 27.80 N ATOM 1214 CZ ARG A 157 40.451 -16.326 82.817 1.00 31.98 C ATOM 1215 NH1 ARG A 157 41.638 -16.013 82.252 1.00 27.00 N ATOM 1216 NH2 ARG A 157 39.372 -16.479 82.038 1.00 25.34 N ATOM 1217 N LEU A 158 39.374 -11.868 84.626 1.00 25.53 N ATOM 1218 CA LEU A 158 38.957 -11.278 83.370 1.00 23.23 C ATOM 1219 C LEU A 158 39.259 -9.793 83.315 1.00 26.79 C ATOM 1220 O LEU A 158 39.688 -9.292 82.264 1.00 25.75 O ATOM 1221 CB LEU A 158 37.445 -11.521 83.178 1.00 23.08 C ATOM 1222 CG LEU A 158 37.008 -12.946 82.905 1.00 24.35 C ATOM 1223 CD1 LEU A 158 35.466 -13.002 83.017 1.00 23.09 C ATOM 1224 CD2 LEU A 158 37.370 -13.370 81.451 1.00 27.44 C ATOM 1225 N VAL A 159 39.062 -9.055 84.414 1.00 25.27 N ATOM 1226 CA VAL A 159 39.459 -7.643 84.392 1.00 25.82 C ATOM 1227 C VAL A 159 40.986 -7.515 84.176 1.00 27.41 C ATOM 1228 O VAL A 159 41.421 -6.681 83.396 1.00 30.29 O ATOM 1229 CB VAL A 159 39.114 -6.890 85.693 1.00 27.18 C ATOM 1230 CG1 VAL A 159 39.640 -5.460 85.682 1.00 29.14 C ATOM 1231 CG2 VAL A 159 37.585 -6.848 85.870 1.00 30.69 C ATOM 1232 N GLN A 160 41.749 -8.336 84.880 1.00 26.56 N ATOM 1233 CA GLN A 160 43.224 -8.262 84.752 1.00 26.56 C ATOM 1234 C GLN A 160 43.653 -8.564 83.311 1.00 29.70 C ATOM 1235 O GLN A 160 44.536 -7.908 82.735 1.00 28.69 O ATOM 1236 CB GLN A 160 43.819 -9.312 85.683 1.00 25.56 C ATOM 1237 CG GLN A 160 43.685 -8.890 87.161 1.00 27.09 C ATOM 1238 CD GLN A 160 43.945 -10.043 88.094 1.00 31.63 C ATOM 1239 OE1 GLN A 160 43.818 -11.210 87.734 1.00 32.11 O ATOM 1240 NE2 GLN A 160 44.388 -9.709 89.296 1.00 34.67 N ATOM 1241 N ALA A 161 43.031 -9.613 82.780 1.00 28.08 N ATOM 1242 CA ALA A 161 43.303 -10.014 81.388 1.00 30.05 C ATOM 1243 C ALA A 161 42.975 -8.929 80.388 1.00 29.26 C ATOM 1244 O ALA A 161 43.792 -8.650 79.497 1.00 29.74 O ATOM 1245 CB ALA A 161 42.507 -11.260 81.019 1.00 30.27 C ATOM 1246 N PHE A 162 41.768 -8.346 80.431 1.00 24.13 N ATOM 1247 CA PHE A 162 41.453 -7.296 79.460 1.00 28.62 C ATOM 1248 C PHE A 162 42.406 -6.111 79.576 1.00 28.29 C ATOM 1249 O PHE A 162 42.856 -5.552 78.580 1.00 27.21 O ATOM 1250 CB PHE A 162 39.974 -6.906 79.575 1.00 29.61 C ATOM 1251 CG PHE A 162 39.131 -7.919 78.833 1.00 25.73 C ATOM 1252 CD1 PHE A 162 39.148 -7.899 77.443 1.00 27.56 C ATOM 1253 CD2 PHE A 162 38.377 -8.874 79.480 1.00 29.52 C ATOM 1254 CE1 PHE A 162 38.398 -8.797 76.703 1.00 25.54 C ATOM 1255 CE2 PHE A 162 37.608 -9.775 78.742 1.00 28.12 C ATOM 1256 CZ PHE A 162 37.621 -9.721 77.364 1.00 26.37 C ATOM 1257 N GLN A 163 42.771 -5.733 80.798 1.00 27.79 N ATOM 1258 CA GLN A 163 43.718 -4.643 81.022 1.00 31.70 C ATOM 1259 C GLN A 163 45.090 -4.984 80.428 1.00 29.26 C ATOM 1260 O GLN A 163 45.712 -4.127 79.811 1.00 33.60 O ATOM 1261 CB GLN A 163 43.887 -4.352 82.523 1.00 27.61 C ATOM 1262 CG GLN A 163 42.662 -3.584 83.036 1.00 30.82 C ATOM 1263 CD GLN A 163 42.743 -3.229 84.513 1.00 34.33 C ATOM 1264 OE1 GLN A 163 43.388 -3.878 85.328 1.00 36.60 O ATOM 1265 NE2 GLN A 163 42.039 -2.171 84.881 1.00 37.90 N ATOM 1266 N TYR A 164 45.536 -6.213 80.628 1.00 28.29 N ATOM 1267 CA TYR A 164 46.839 -6.623 80.088 1.00 30.01 C ATOM 1268 C TYR A 164 46.836 -6.547 78.562 1.00 33.74 C ATOM 1269 O TYR A 164 47.711 -5.905 77.939 1.00 32.94 O ATOM 1270 CB TYR A 164 47.150 -8.036 80.554 1.00 26.75 C ATOM 1271 CG TYR A 164 48.603 -8.423 80.343 1.00 37.82 C ATOM 1272 CD1 TYR A 164 49.092 -8.857 79.121 1.00 39.24 C ATOM 1273 CD2 TYR A 164 49.480 -8.317 81.427 1.00 40.59 C ATOM 1274 CE1 TYR A 164 50.430 -9.183 78.981 1.00 41.31 C ATOM 1275 CE2 TYR A 164 50.819 -8.656 81.280 1.00 44.74 C ATOM 1276 CZ TYR A 164 51.281 -9.076 80.058 1.00 46.27 C ATOM 1277 OH TYR A 164 52.617 -9.406 79.923 1.00 49.57 O ATOM 1278 N THR A 165 45.801 -7.121 77.921 1.00 32.91 N ATOM 1279 CA THR A 165 45.730 -7.104 76.462 1.00 27.74 C ATOM 1280 C THR A 165 45.587 -5.681 75.937 1.00 30.15 C ATOM 1281 O THR A 165 46.117 -5.381 74.854 1.00 33.60 O ATOM 1282 CB THR A 165 44.603 -7.976 75.870 1.00 30.02 C ATOM 1283 OG1 THR A 165 43.300 -7.480 76.236 1.00 31.67 O ATOM 1284 CG2 THR A 165 44.711 -9.418 76.339 1.00 28.21 C ATOM 1285 N ASP A 166 44.957 -4.773 76.686 1.00 27.73 N ATOM 1286 CA ASP A 166 44.817 -3.409 76.189 1.00 30.27 C ATOM 1287 C ASP A 166 46.234 -2.755 76.199 1.00 35.22 C ATOM 1288 O ASP A 166 46.539 -1.959 75.326 1.00 36.92 O ATOM 1289 CB ASP A 166 43.959 -2.523 77.067 1.00 27.92 C ATOM 1290 CG ASP A 166 42.466 -2.778 77.105 1.00 34.31 C ATOM 1291 OD1 ASP A 166 41.877 -3.364 76.173 1.00 31.89 O ATOM 1292 OD2 ASP A 166 41.820 -2.364 78.105 1.00 32.06 O ATOM 1293 N GLU A 167 46.973 -3.062 77.248 1.00 32.73 N ATOM 1294 CA GLU A 167 48.268 -2.435 77.489 1.00 43.14 C ATOM 1295 C GLU A 167 49.396 -3.003 76.652 1.00 45.38 C ATOM 1296 O GLU A 167 50.107 -2.228 75.995 1.00 50.31 O ATOM 1297 CB GLU A 167 48.589 -2.528 79.002 1.00 40.33 C ATOM 1298 CG GLU A 167 47.794 -1.470 79.761 1.00 61.09 C ATOM 1299 CD GLU A 167 47.515 -1.750 81.217 1.00 63.16 C ATOM 1300 OE1 GLU A 167 48.408 -2.227 81.944 1.00 63.10 O ATOM 1301 OE2 GLU A 167 46.376 -1.484 81.669 1.00 69.17 O ATOM 1302 N HIS A 168 49.554 -4.318 76.626 1.00 42.78 N ATOM 1303 CA HIS A 168 50.628 -4.966 75.898 1.00 42.50 C ATOM 1304 C HIS A 168 50.376 -5.373 74.467 1.00 47.98 C ATOM 1305 O HIS A 168 51.304 -5.825 73.778 1.00 46.96 O ATOM 1306 CB HIS A 168 51.058 -6.203 76.726 1.00 41.45 C ATOM 1307 CG HIS A 168 51.433 -5.773 78.120 1.00 48.99 C ATOM 1308 ND1 HIS A 168 50.674 -6.069 79.232 1.00 49.20 N ATOM 1309 CD2 HIS A 168 52.479 -5.026 78.558 1.00 47.60 C ATOM 1310 CE1 HIS A 168 51.246 -5.542 80.300 1.00 49.04 C ATOM 1311 NE2 HIS A 168 52.335 -4.904 79.920 1.00 48.11 N ATOM 1312 N GLY A 169 49.140 -5.367 73.995 1.00 45.24 N ATOM 1313 CA GLY A 169 48.791 -5.749 72.643 1.00 45.13 C ATOM 1314 C GLY A 169 49.170 -7.186 72.323 1.00 45.17 C ATOM 1315 O GLY A 169 49.572 -7.534 71.212 1.00 51.58 O ATOM 1316 N GLU A 170 49.115 -8.045 73.307 1.00 38.20 N ATOM 1317 CA GLU A 170 49.342 -9.471 73.248 1.00 34.45 C ATOM 1318 C GLU A 170 47.978 -10.086 73.605 1.00 33.24 C ATOM 1319 O GLU A 170 47.087 -9.281 73.932 1.00 38.61 O ATOM 1320 CB GLU A 170 50.444 -9.979 74.140 1.00 36.75 C ATOM 1321 CG GLU A 170 51.802 -9.398 73.760 1.00 41.64 C ATOM 1322 CD GLU A 170 52.982 -10.271 74.097 1.00 44.25 C ATOM 1323 OE1 GLU A 170 52.841 -11.438 74.521 1.00 39.85 O ATOM 1324 OE2 GLU A 170 54.123 -9.775 73.912 1.00 45.78 O ATOM 1325 N VAL A 171 47.805 -11.391 73.436 1.00 32.78 N ATOM 1326 CA VAL A 171 46.444 -11.905 73.744 1.00 30.95 C ATOM 1327 C VAL A 171 46.607 -12.953 74.822 1.00 30.03 C ATOM 1328 O VAL A 171 47.654 -13.582 74.961 1.00 28.19 O ATOM 1329 CB VAL A 171 45.712 -12.492 72.532 1.00 23.94 C ATOM 1330 CG1 VAL A 171 45.434 -11.392 71.515 1.00 25.66 C ATOM 1331 CG2 VAL A 171 46.538 -13.624 71.918 1.00 30.03 C ATOM 1332 N CYS A 172 45.536 -13.134 75.608 1.00 28.39 N ATOM 1333 CA CYS A 172 45.654 -14.103 76.711 1.00 24.41 C ATOM 1334 C CYS A 172 45.083 -15.464 76.415 1.00 26.54 C ATOM 1335 O CYS A 172 43.877 -15.650 76.183 1.00 26.24 O ATOM 1336 CB CYS A 172 44.926 -13.508 77.938 1.00 26.38 C ATOM 1337 SG CYS A 172 45.686 -11.996 78.591 1.00 27.73 S ATOM 1338 N PRO A 173 45.878 -16.511 76.555 1.00 26.30 N ATOM 1339 CA PRO A 173 45.441 -17.867 76.407 1.00 25.62 C ATOM 1340 C PRO A 173 44.388 -18.286 77.436 1.00 27.47 C ATOM 1341 O PRO A 173 44.168 -17.630 78.475 1.00 25.64 O ATOM 1342 CB PRO A 173 46.707 -18.701 76.659 1.00 29.62 C ATOM 1343 CG PRO A 173 47.834 -17.780 76.330 1.00 28.38 C ATOM 1344 CD PRO A 173 47.365 -16.419 76.779 1.00 29.47 C ATOM 1345 N ALA A 174 43.811 -19.464 77.168 1.00 26.00 N ATOM 1346 CA ALA A 174 42.863 -20.036 78.095 1.00 27.07 C ATOM 1347 C ALA A 174 43.487 -20.123 79.491 1.00 30.58 C ATOM 1348 O ALA A 174 44.616 -20.626 79.643 1.00 29.92 O ATOM 1349 CB ALA A 174 42.496 -21.477 77.700 1.00 27.84 C ATOM 1350 N GLY A 175 42.735 -19.730 80.506 1.00 27.88 N ATOM 1351 CA GLY A 175 43.160 -19.862 81.897 1.00 26.79 C ATOM 1352 C GLY A 175 44.189 -18.831 82.341 1.00 31.47 C ATOM 1353 O GLY A 175 44.637 -18.880 83.501 1.00 30.67 O ATOM 1354 N TRP A 176 44.541 -17.864 81.522 1.00 26.12 N ATOM 1355 CA TRP A 176 45.568 -16.888 81.878 1.00 25.10 C ATOM 1356 C TRP A 176 45.292 -16.224 83.234 1.00 34.74 C ATOM 1357 O TRP A 176 44.172 -15.853 83.546 1.00 29.29 O ATOM 1358 CB TRP A 176 45.635 -15.775 80.852 1.00 23.36 C ATOM 1359 CG TRP A 176 46.615 -14.676 81.112 1.00 27.79 C ATOM 1360 CD1 TRP A 176 47.904 -14.606 80.639 1.00 29.42 C ATOM 1361 CD2 TRP A 176 46.413 -13.496 81.890 1.00 35.72 C ATOM 1362 NE1 TRP A 176 48.495 -13.436 81.072 1.00 33.55 N ATOM 1363 CE2 TRP A 176 47.610 -12.749 81.853 1.00 35.82 C ATOM 1364 CE3 TRP A 176 45.342 -13.000 82.642 1.00 34.90 C ATOM 1365 CZ2 TRP A 176 47.753 -11.532 82.521 1.00 32.91 C ATOM 1366 CZ3 TRP A 176 45.484 -11.795 83.308 1.00 32.08 C ATOM 1367 CH2 TRP A 176 46.691 -11.064 83.241 1.00 34.00 C ATOM 1368 N LYS A 177 46.344 -15.980 84.000 1.00 31.67 N ATOM 1369 CA LYS A 177 46.360 -15.278 85.262 1.00 33.19 C ATOM 1370 C LYS A 177 47.639 -14.436 85.256 1.00 35.06 C ATOM 1371 O LYS A 177 48.553 -14.794 84.506 1.00 32.82 O ATOM 1372 CB LYS A 177 46.400 -16.282 86.425 1.00 31.36 C ATOM 1373 CG LYS A 177 45.026 -16.864 86.748 1.00 44.08 C ATOM 1374 CD LYS A 177 45.091 -17.998 87.755 1.00 38.50 C ATOM 1375 CE LYS A 177 43.754 -18.720 87.858 1.00 46.46 C ATOM 1376 NZ LYS A 177 43.647 -19.529 89.112 1.00 54.47 N ATOM 1377 N PRO A 178 47.694 -13.354 85.989 1.00 35.58 N ATOM 1378 CA PRO A 178 48.894 -12.514 86.046 1.00 35.12 C ATOM 1379 C PRO A 178 50.090 -13.435 86.231 1.00 36.66 C ATOM 1380 O PRO A 178 50.031 -14.383 87.017 1.00 33.14 O ATOM 1381 CB PRO A 178 48.624 -11.574 87.204 1.00 36.49 C ATOM 1382 CG PRO A 178 47.116 -11.440 87.196 1.00 34.90 C ATOM 1383 CD PRO A 178 46.621 -12.845 86.887 1.00 36.99 C ATOM 1384 N GLY A 179 51.127 -13.234 85.413 1.00 37.82 N ATOM 1385 CA GLY A 179 52.307 -14.084 85.459 1.00 39.91 C ATOM 1386 C GLY A 179 52.308 -15.170 84.395 1.00 41.64 C ATOM 1387 O GLY A 179 53.339 -15.821 84.154 1.00 38.33 O ATOM 1388 N SER A 180 51.168 -15.363 83.709 1.00 34.30 N ATOM 1389 CA SER A 180 51.120 -16.426 82.713 1.00 34.24 C ATOM 1390 C SER A 180 51.691 -15.937 81.386 1.00 28.18 C ATOM 1391 O SER A 180 51.696 -14.733 81.130 1.00 28.25 O ATOM 1392 CB SER A 180 49.652 -16.852 82.521 1.00 33.42 C ATOM 1393 OG SER A 180 49.179 -17.598 83.634 1.00 40.23 O ATOM 1394 N ASP A 181 52.104 -16.887 80.548 1.00 29.24 N ATOM 1395 CA ASP A 181 52.588 -16.479 79.222 1.00 33.28 C ATOM 1396 C ASP A 181 51.462 -15.922 78.357 1.00 32.74 C ATOM 1397 O ASP A 181 50.304 -16.332 78.521 1.00 32.82 O ATOM 1398 CB ASP A 181 53.161 -17.722 78.519 1.00 35.46 C ATOM 1399 CG ASP A 181 54.493 -18.149 79.118 1.00 45.40 C ATOM 1400 OD1 ASP A 181 55.164 -17.281 79.705 1.00 38.61 O ATOM 1401 OD2 ASP A 181 54.831 -19.340 78.976 1.00 44.03 O ATOM 1402 N THR A 182 51.765 -14.992 77.462 1.00 33.44 N ATOM 1403 CA THR A 182 50.784 -14.455 76.519 1.00 32.46 C ATOM 1404 C THR A 182 51.302 -14.765 75.108 1.00 34.80 C ATOM 1405 O THR A 182 52.357 -15.411 74.968 1.00 34.28 O ATOM 1406 CB THR A 182 50.506 -12.967 76.712 1.00 37.41 C ATOM 1407 OG1 THR A 182 51.764 -12.262 76.705 1.00 31.97 O ATOM 1408 CG2 THR A 182 49.825 -12.724 78.072 1.00 31.68 C ATOM 1409 N ILE A 183 50.505 -14.476 74.104 1.00 31.03 N ATOM 1410 CA ILE A 183 50.852 -14.782 72.708 1.00 28.92 C ATOM 1411 C ILE A 183 50.846 -13.519 71.882 1.00 28.87 C ATOM 1412 O ILE A 183 49.934 -12.694 72.034 1.00 30.01 O ATOM 1413 CB ILE A 183 49.812 -15.728 72.065 1.00 30.63 C ATOM 1414 CG1 ILE A 183 49.618 -17.016 72.847 1.00 28.73 C ATOM 1415 CG2 ILE A 183 50.236 -16.069 70.627 1.00 29.57 C ATOM 1416 CD1 ILE A 183 48.516 -17.889 72.274 1.00 37.07 C ATOM 1417 N LYS A 184 51.848 -13.339 71.015 1.00 27.62 N ATOM 1418 CA LYS A 184 51.850 -12.136 70.163 1.00 28.63 C ATOM 1419 C LYS A 184 51.021 -12.569 68.945 1.00 29.68 C ATOM 1420 O LYS A 184 51.332 -13.616 68.369 1.00 28.68 O ATOM 1421 CB LYS A 184 53.254 -11.706 69.740 1.00 30.94 C ATOM 1422 CG LYS A 184 54.139 -11.378 70.935 1.00 35.70 C ATOM 1423 CD LYS A 184 55.617 -11.388 70.558 1.00 39.40 C ATOM 1424 CE LYS A 184 56.445 -10.920 71.764 1.00 46.29 C ATOM 1425 NZ LYS A 184 57.875 -10.762 71.376 1.00 44.07 N ATOM 1426 N PRO A 185 49.947 -11.853 68.679 1.00 31.24 N ATOM 1427 CA PRO A 185 48.947 -12.222 67.698 1.00 30.86 C ATOM 1428 C PRO A 185 49.266 -11.974 66.237 1.00 32.33 C ATOM 1429 O PRO A 185 48.577 -11.229 65.545 1.00 30.77 O ATOM 1430 CB PRO A 185 47.721 -11.400 68.121 1.00 31.65 C ATOM 1431 CG PRO A 185 48.375 -10.128 68.564 1.00 36.02 C ATOM 1432 CD PRO A 185 49.540 -10.621 69.411 1.00 32.65 C ATOM 1433 N ASN A 186 50.318 -12.647 65.778 1.00 30.84 N ATOM 1434 CA ASN A 186 50.691 -12.632 64.360 1.00 33.93 C ATOM 1435 C ASN A 186 51.341 -13.986 64.097 1.00 31.41 C ATOM 1436 O ASN A 186 51.788 -14.681 65.017 1.00 28.00 O ATOM 1437 CB ASN A 186 51.501 -11.414 63.982 1.00 33.80 C ATOM 1438 CG ASN A 186 52.936 -11.443 64.462 1.00 39.79 C ATOM 1439 OD1 ASN A 186 53.694 -12.334 64.072 1.00 41.33 O ATOM 1440 ND2 ASN A 186 53.293 -10.487 65.317 1.00 39.85 N ATOM 1441 N VAL A 187 51.263 -14.487 62.862 1.00 29.04 N ATOM 1442 CA VAL A 187 51.655 -15.871 62.589 1.00 28.11 C ATOM 1443 C VAL A 187 53.089 -16.192 63.004 1.00 31.23 C ATOM 1444 O VAL A 187 53.350 -17.217 63.668 1.00 32.23 O ATOM 1445 CB VAL A 187 51.405 -16.182 61.105 1.00 26.89 C ATOM 1446 CG1 VAL A 187 51.797 -17.600 60.713 1.00 32.08 C ATOM 1447 CG2 VAL A 187 49.905 -15.985 60.805 1.00 29.36 C ATOM 1448 N ASP A 188 54.025 -15.338 62.629 1.00 29.52 N ATOM 1449 CA ASP A 188 55.432 -15.628 62.920 1.00 31.33 C ATOM 1450 C ASP A 188 55.763 -15.499 64.408 1.00 33.41 C ATOM 1451 O ASP A 188 56.396 -16.391 64.970 1.00 31.87 O ATOM 1452 CB ASP A 188 56.329 -14.715 62.082 1.00 33.64 C ATOM 1453 CG ASP A 188 56.288 -15.003 60.596 1.00 39.51 C ATOM 1454 OD1 ASP A 188 55.920 -16.113 60.138 1.00 36.37 O ATOM 1455 OD2 ASP A 188 56.649 -14.090 59.831 1.00 36.09 O ATOM 1456 N ASP A 189 55.354 -14.430 65.063 1.00 29.98 N ATOM 1457 CA ASP A 189 55.674 -14.215 66.482 1.00 33.99 C ATOM 1458 C ASP A 189 54.952 -15.169 67.411 1.00 34.57 C ATOM 1459 O ASP A 189 55.436 -15.484 68.510 1.00 31.62 O ATOM 1460 CB ASP A 189 55.374 -12.767 66.890 1.00 34.07 C ATOM 1461 CG ASP A 189 56.289 -11.754 66.234 1.00 42.73 C ATOM 1462 OD1 ASP A 189 57.402 -12.188 65.852 1.00 43.64 O ATOM 1463 OD2 ASP A 189 55.914 -10.568 66.108 1.00 38.62 O ATOM 1464 N SER A 190 53.840 -15.769 66.983 1.00 29.73 N ATOM 1465 CA SER A 190 53.137 -16.717 67.851 1.00 30.29 C ATOM 1466 C SER A 190 53.872 -18.032 68.033 1.00 30.56 C ATOM 1467 O SER A 190 53.635 -18.786 68.978 1.00 28.19 O ATOM 1468 CB SER A 190 51.740 -17.017 67.264 1.00 29.42 C ATOM 1469 OG SER A 190 51.873 -17.637 65.987 1.00 28.77 O ATOM 1470 N LYS A 191 54.802 -18.373 67.141 1.00 30.98 N ATOM 1471 CA LYS A 191 55.579 -19.597 67.201 1.00 32.69 C ATOM 1472 C LYS A 191 56.391 -19.733 68.489 1.00 30.26 C ATOM 1473 O LYS A 191 56.593 -20.815 69.054 1.00 32.12 O ATOM 1474 CB LYS A 191 56.496 -19.603 65.964 1.00 34.69 C ATOM 1475 CG LYS A 191 55.720 -19.423 64.660 1.00 38.02 C ATOM 1476 CD LYS A 191 54.813 -20.626 64.389 1.00 36.15 C ATOM 1477 CE LYS A 191 54.071 -20.388 63.072 1.00 44.55 C ATOM 1478 NZ LYS A 191 53.583 -21.638 62.446 1.00 54.74 N ATOM 1479 N GLU A 192 56.806 -18.606 69.034 1.00 32.23 N ATOM 1480 CA GLU A 192 57.489 -18.541 70.347 1.00 34.94 C ATOM 1481 C GLU A 192 56.638 -19.168 71.428 1.00 38.66 C ATOM 1482 O GLU A 192 57.149 -20.023 72.177 1.00 36.51 O ATOM 1483 CB GLU A 192 57.917 -17.108 70.484 1.00 40.02 C ATOM 1484 CG GLU A 192 57.858 -16.248 71.710 1.00 56.52 C ATOM 1485 CD GLU A 192 58.256 -14.820 71.335 1.00 57.75 C ATOM 1486 OE1 GLU A 192 59.156 -14.693 70.474 1.00 65.98 O ATOM 1487 OE2 GLU A 192 57.688 -13.844 71.869 1.00 63.95 O ATOM 1488 N TYR A 193 55.340 -18.824 71.521 1.00 34.10 N ATOM 1489 CA TYR A 193 54.467 -19.463 72.494 1.00 31.95 C ATOM 1490 C TYR A 193 54.321 -20.931 72.139 1.00 28.24 C ATOM 1491 O TYR A 193 54.505 -21.808 72.989 1.00 32.87 O ATOM 1492 CB TYR A 193 53.086 -18.748 72.526 1.00 33.33 C ATOM 1493 CG TYR A 193 52.061 -19.497 73.362 1.00 35.39 C ATOM 1494 CD1 TYR A 193 51.345 -20.545 72.800 1.00 36.98 C ATOM 1495 CD2 TYR A 193 51.822 -19.182 74.695 1.00 33.50 C ATOM 1496 CE1 TYR A 193 50.423 -21.276 73.523 1.00 37.93 C ATOM 1497 CE2 TYR A 193 50.899 -19.901 75.437 1.00 36.02 C ATOM 1498 CZ TYR A 193 50.212 -20.944 74.849 1.00 37.86 C ATOM 1499 OH TYR A 193 49.299 -21.686 75.570 1.00 39.70 O ATOM 1500 N PHE A 194 53.918 -21.297 70.912 1.00 28.86 N ATOM 1501 CA PHE A 194 53.632 -22.688 70.597 1.00 29.56 C ATOM 1502 C PHE A 194 54.813 -23.640 70.763 1.00 31.64 C ATOM 1503 O PHE A 194 54.600 -24.784 71.186 1.00 34.65 O ATOM 1504 CB PHE A 194 53.014 -22.831 69.199 1.00 29.72 C ATOM 1505 CG PHE A 194 51.716 -22.064 69.030 1.00 33.06 C ATOM 1506 CD1 PHE A 194 50.638 -22.304 69.877 1.00 36.02 C ATOM 1507 CD2 PHE A 194 51.582 -21.121 68.029 1.00 31.61 C ATOM 1508 CE1 PHE A 194 49.463 -21.586 69.719 1.00 31.77 C ATOM 1509 CE2 PHE A 194 50.402 -20.412 67.852 1.00 35.15 C ATOM 1510 CZ PHE A 194 49.348 -20.651 68.715 1.00 27.98 C ATOM 1511 N SER A 195 56.025 -23.201 70.455 1.00 34.58 N ATOM 1512 CA SER A 195 57.193 -24.076 70.636 1.00 36.07 C ATOM 1513 C SER A 195 57.540 -24.177 72.113 1.00 34.63 C ATOM 1514 O SER A 195 57.805 -25.278 72.598 1.00 37.62 O ATOM 1515 CB SER A 195 58.376 -23.596 69.793 1.00 45.06 C ATOM 1516 OG SER A 195 58.645 -22.235 70.083 1.00 45.25 O ATOM 1517 N LYS A 196 57.373 -23.103 72.878 1.00 36.86 N ATOM 1518 CA LYS A 196 57.607 -23.140 74.315 1.00 38.08 C ATOM 1519 C LYS A 196 56.619 -24.041 75.043 1.00 42.93 C ATOM 1520 O LYS A 196 57.000 -24.799 75.942 1.00 41.62 O ATOM 1521 CB LYS A 196 57.539 -21.738 74.936 1.00 31.29 C ATOM 1522 CG LYS A 196 57.740 -21.774 76.465 1.00 34.19 C ATOM 1523 CD LYS A 196 57.952 -20.343 76.974 1.00 40.92 C ATOM 1524 CE LYS A 196 57.896 -20.305 78.497 1.00 46.23 C ATOM 1525 NZ LYS A 196 58.040 -18.934 79.043 1.00 48.11 N ATOM 1526 N HIS A 197 55.329 -23.951 74.689 1.00 41.01 N ATOM 1527 CA HIS A 197 54.336 -24.724 75.433 1.00 39.39 C ATOM 1528 C HIS A 197 54.052 -26.108 74.929 1.00 39.86 C ATOM 1529 O HIS A 197 53.168 -26.793 75.466 1.00 42.94 O ATOM 1530 CB HIS A 197 53.025 -23.913 75.461 1.00 36.11 C ATOM 1531 CG HIS A 197 53.167 -22.749 76.390 1.00 38.55 C ATOM 1532 ND1 HIS A 197 52.615 -22.765 77.661 1.00 39.58 N ATOM 1533 CD2 HIS A 197 53.816 -21.570 76.255 1.00 39.04 C ATOM 1534 CE1 HIS A 197 52.921 -21.626 78.257 1.00 42.83 C ATOM 1535 NE2 HIS A 197 53.631 -20.885 77.434 1.00 42.80 N ATOM 1536 N ASN A 198 54.666 -26.538 73.831 1.00 41.30 N ATOM 1537 CA ASN A 198 54.385 -27.864 73.291 1.00 45.22 C ATOM 1538 C ASN A 198 55.696 -28.571 72.972 1.00 47.49 C ATOM 1539 O ASN A 198 55.630 -29.776 72.666 1.00 49.44 O ATOM 1540 CB ASN A 198 53.452 -27.818 72.069 1.00 41.64 C ATOM 1541 CG ASN A 198 52.084 -27.252 72.410 1.00 41.39 C ATOM 1542 OD1 ASN A 198 51.229 -27.942 72.964 1.00 38.00 O ATOM 1543 ND2 ASN A 198 51.872 -25.973 72.126 1.00 37.02 N ATOM 1544 OXT ASN A 198 56.764 -27.930 73.065 1.00 56.97 O TER 1545 ASN A 198 END </pre></body> </html> --------------030706000909090505050206-- ------ End of Forwarded Message

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can't find Log file
by Dong Chen 08 Apr '03

08 Apr '03

Hi All, After sending e-mail yesterday, I received several e-mails and all told me I should see the .log file in the same directory. But I am sure there is no .log file in the directory. I am using MODELLER 6v2 for Windows and my operation system is Window 2000. I run "mod model-default" in windows command prompt "C:\mod6v2\examples\tutorial-model>". Following is the model-default.top file: # Homology modelling by the MODELLER TOP routine 'model'. INCLUDE # Include the predefined TOP routines SET OUTPUT_CONTROL = 1 1 1 1 1 # uncomment to produce a large log file SET ALNFILE = 'alignment.ali' # alignment filename SET KNOWNS = '5fd1' # codes of the templates SET SEQUENCE = '1fdx' # code of the target SET ATOM_FILES_DIRECTORY = './:../atom_files' # directories for input atom files SET STARTING_MODEL= 1 # index of the first model SET ENDING_MODEL = 1 # index of the last model # (determines how many models to calculate) CALL ROUTINE = 'model' # do homology modelling After running "mod model-default", I only got six files: "1fdx.V99990001, 1fdx.D00000001, 1fdx.B99990001, 1fdx.sch, 1fdx.rsr and 1fdx.ini. I can open the 1fdx.B99990001 by a viewer. Thanks for all your help, Dong

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Questions about using Modeller
by Dong Chen 07 Apr '03

07 Apr '03

Hi, I am just starting using Modeller and have two questions about it. 1. After I run "mod model-default" in the tutorial, I can't not find the model-default.log file. Where to find this log file? 2. I have seen the some output data in 1fdx.B99990001. Is it possible for me to convert the data in 1fdx.B99990001 to a 3D structure? My OS is Windows 2000 and using MODELLER 6v2. Thank you for any help, Dong

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Running Modeller6v2 Windows
by Anurag Sethi 07 Apr '03

07 Apr '03

Hi, I am new to Modeller. I am having problems running the modeller windows version on XP. I am trying to run the following top file using the command: mod model-default.top INCLUDE READ_ALIGNMENT DIRECTORY = 'C:\mod6v2\alignments', FILE = '1L9H_O2D2.ali', ALIGNMENT_FORMAT = 'PIR' SET KNOWNS = '1l9h' SET SEQUENCE = 'O2D2' SET ATOM_FILES_DIRECTORY = 'C:\mod6v2\pdb', ATOM_FILES = '1l9h.atm' SET OUTPUT_CONTROL = 1 1 1 1 1 SET STARTING_MODEL = 1 SET ENDING_MODEL = 3 CALL ROUTINE = 'model' The alignment file is itself >1l9h >structure:1l9h:1 :A:349:A:Bacterorhodopsin:Archae Bacteria:1.5:-1 ---MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKK LRT------PLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVF---------GPTGCNLEGFFATLGGE IALWSLVVLAIERYVVVCKPMSNFRFG----------ENHAIMGVAFTWVMALACAAPPLVGWSRYIPEG MQCSCGIDYYTPHEETN--------NESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAA-----ATT- -QKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQ FRNCMVTTLCCGKNPLGD---STTVSKTETSQVAPA >O2D2 sequence:O2D2:1: :308: :1:1 MRQINQTQVTEFLL-----LGLSDGPHTEQ------LLFIVLLGVY--LVTVLG---NLLLISL---VHV DSQLHTPMYFFLCNLSLADLCFSTNIVPQALV-------HLLSRKKVIAFTLCAARLLFFLIFGCTQCAL LAVMSY-----------DRYVAICNPLRYPDIMTWKVCVQLATGSWTSGILVSVVDTTFT-LRLPYRGSN SIAHFFCEAPALLILASTDTHASEMAIFLTGVVILLIPVFLILVSYGR---IIVTVVKMKSTVGSLKAFS TCGSHLMVVILF------YGSAIITYMTPK-----SSKQQEKSV--------------SVFYAIVTPMLN PLIYSLR--NKDVKAAL--------RKVATRNF-P- The log file I got is: C:\mod6v2\bin>set MODINSTALL6v2=c:\mod6v2 C:\mod6v2\bin>set KEY_MODELLER6v2=$The key i got$ C:\mod6v2\bin>set LIBS_LIB6v2=c:\mod6v2\modlib\libs.lib C:\mod6v2\bin>set EXECUTABLE_TYPE6v2=i386-windf C:\mod6v2\bin>set PATH=c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;C:\WINDOWS\system32;C:\WINDOWS;C:\WINDOWS\System32\Wbem;C:\Program Files\Common Files\Adaptec Shared\System;c:\matlab6p1\bin\win32;C:\Program Files\SSH Communications Security\SSH Secure Shell;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin;c:\mod6v2\bin C:\mod6v2\bin>c:\mod6v2\bin\modeller6v2 model-default.top MODELLER 6v2, 17 Feb 2002 PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS Copyright(c) 1989-2002 Andrej Sali All Rights Reserved Written by A. Sali with help from A. Fiser, R. Sanchez, M.A. Marti-Renom, B. Jerkovic, A. Badretdinov, F. Melo, J.P. Overington & E. Feyfant Rockefeller University, New York, USA Harvard University, Cambridge, USA Imperial Cancer Research Fund, London, UK Birkbeck College, University of London, London, UK Kind, OS, HostName, Kernel, Processor: 4, Windows_NT SETHI x86 Family 15 Model 2 Stepping 7, GenuineIn Date and time of compilation : Jul 09 2002 16:21:30 Job starting time (YY/MM/DD HH:MM:SS): 2003/04/07 06:33:47.390 TOP_________> 109 709 SET STARTING_MODEL = 1 TOP_________> 110 710 SET ENDING_MODEL = 3 TOP_________> 111 711 CALL ROUTINE = 'model' TOP_________> 112 399 CALL ROUTINE = 'getnames' TOP_________> 113 509 STRING_IF STRING_ARGUMENTS = MODEL 'undefined', OPERATION; = 'EQ', THEN = 'STRING_OPERATE OPERATION = CONCATENA; TE, STRING_ARGUMENTS = SEQUENCE .ini, RESULT = MODEL' TOP_________> 114 510 STRING_IF STRING_ARGUMENTS = CSRFILE 'undefined', OPERATI; ON = 'EQ', THEN = 'STRING_OPERATE OPERATION = CONCATE; NATE, STRING_ARGUMENTS = SEQUENCE .rsr, RESULT = CSRFILE; ' TOP_________> 115 511 STRING_OPERATE OPERATION = 'CONCATENATE', ; STRING_ARGUMENTS = SEQUENCE '.sch', RESULT = SCHFILE TOP_________> 116 512 STRING_OPERATE OPERATION = 'CONCATENATE', ; STRING_ARGUMENTS = SEQUENCE '.mat', RESULT = MATRIX_FI; LE TOP_________> 117 513 SET ROOT_NAME = SEQUENCE TOP_________> 118 514 RETURN TOP_________> 119 400 CALL ROUTINE = 'homcsr' TOP_________> 120 106 READ_ALIGNMENT FILE = ALNFILE, ALIGN_CODES = KNOWNS SEQUE; NCE Dynamically allocated memory at amaxseq [B,kB,MB]: 2560929 2500.907 2.442 openf5__224_> Open 11 OLD SEQUENTIAL \mod6v2\alignments/ openf5__228E> Error openning file: \mod6v2\alignments/ recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1 Dynamically allocated memory at finish [B,kB,MB]: 2560929 2500.907 2.442 Starting time : 2003/04/07 06:33:47.390 Closing time : 2003/04/07 06:33:49.687 Total CPU time [seconds] : 1.92 I dont know whether this is an error of mine or is it that I havent installed it properly or that my top file is wrong. Could someone please help me out? Thank you in advance, Anurag Sethi

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