From mailer@bialko.llnl.gov Sun Aug 18 09:46:28 2002 Date: Sun, 18 Aug 2002 09:46:23 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Aug 18 09:18:25 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_314613_27093 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0190SS001_1 Current information on models submitted in prediction T0190SS001 MODEL_INDEX PIN CODE DATE E-mail T0190SS001_1 PIN_314613_27093 4069-6308-1312 08/18/02 09:18:25 karplus@cse.ucsc.edu PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0190 MODEL_INDEX PIN CODE DATE E-mail T0190SS001_1 PIN_314613_27093 4069-6308-1312 08/18/02 09:18:25 karplus@cse.ucsc.edu For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0190 AUTHOR 4069-6308-1312 # Reading MODEL 1 # Reading prediction format SS (DONE) # Checking the SS prediction MODEL 1 # Checking the SS prediction MODEL 1 (DONE) # MODEL index: 1 # Total number of residues in model: 114 # Number of residues with nonzero confidence: 114 # Number of METHOD records: 82 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0190 AUTHOR 4069-6308-1312 METHOD This file is the result of combining several RDB files, specifically METHOD T0190.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0190.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0190.t2k.str.rdb (weight 1.53983) METHOD T0190.t2k.alpha.rdb (weight 0.659012) METHOD These files were combined by translating their predictions into EHL METHOD predictions with tables generated by compare-real, and then combining METHOD those predictions with weights proportional to their mutual information METHOD with the EHL alphabet. The comments from the individual files follow. METHOD METHOD Comments from T0190.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0190 METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0190.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 36 METHOD METHOD ============================================ METHOD Comments from T0190.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0190 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0190.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 36 METHOD METHOD ============================================ METHOD Comments from T0190.t2k.str.rdb METHOD ============================================ METHOD TARGET T0190 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-str-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 13 (1 str ) METHOD The input amino acid frequencies were determined from METHOD alignment T0190.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 36 METHOD METHOD ============================================ METHOD Comments from T0190.t2k.alpha.rdb METHOD ============================================ METHOD TARGET T0190 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-alpha-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 11 (1 ABCDEFGHIST ) METHOD The input amino acid frequencies were determined from METHOD alignment T0190.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 36 METHOD METHOD ============================================ MODEL 1 A C 0.90 Q C 0.86 Q C 0.86 N C 0.86 I C 0.78 L C 0.52 S E 0.62 V E 0.80 H E 0.86 I E 0.85 L E 0.78 N E 0.62 Q C 0.50 Q C 0.67 T C 0.80 G C 0.86 K C 0.68 P C 0.60 A C 0.74 A C 0.81 D C 0.84 V C 0.64 T E 0.78 V E 0.90 T E 0.92 L E 0.92 E E 0.90 K E 0.87 K E 0.58 A C 0.78 D C 0.91 N C 0.89 G C 0.52 W E 0.72 L E 0.76 Q E 0.80 L E 0.77 N E 0.70 T E 0.65 A E 0.69 K E 0.71 T E 0.64 D C 0.85 K C 0.86 D C 0.91 G C 0.89 R C 0.66 I E 0.54 K C 0.72 A C 0.73 L C 0.71 W C 0.76 P C 0.79 E H 0.50 Q H 0.50 T C 0.50 A C 0.67 T C 0.68 T C 0.60 G E 0.50 D E 0.78 Y E 0.90 R E 0.92 V E 0.92 V E 0.90 F E 0.84 K E 0.60 T C 0.54 G H 0.76 D H 0.87 Y H 0.91 F H 0.92 K H 0.89 K H 0.77 Q C 0.67 N C 0.93 L C 0.91 E C 0.88 S C 0.77 F C 0.65 F C 0.59 P C 0.54 E C 0.50 I E 0.70 P E 0.86 V E 0.90 E E 0.92 F E 0.91 H E 0.88 I E 0.73 N C 0.54 K C 0.83 V C 0.87 N C 0.89 E C 0.77 H E 0.54 Y E 0.82 H E 0.86 V E 0.85 P E 0.81 L E 0.75 L E 0.77 L E 0.59 S C 0.71 Q C 0.74 Y C 0.70 G C 0.64 Y C 0.57 S C 0.53 T C 0.52 Y C 0.56 R C 0.71 G C 0.85 S C 0.91 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sun Sep 1 19:31:08 2002 Date: Sun, 1 Sep 2002 19:31:02 -0700 (PDT) From: Automatic Reply To: karplus@cse.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sun Sep 1 19:03:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_238895_40017 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0190TS001_1 Current information on models submitted in prediction T0190TS001 MODEL_INDEX PIN CODE DATE E-mail T0190TS001_1 PIN_238895_40017 4069-6308-1312 09/01/02 19:03:06 karplus@cse.ucsc.edu PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0190 MODEL_INDEX PIN CODE DATE E-mail T0190TS001_1 PIN_238895_40017 4069-6308-1312 09/01/02 19:03:06 karplus@cse.ucsc.edu T0190SS001_1 PIN_314613_27093 4069-6308-1312 08/18/02 09:18:25 karplus@cse.ucsc.edu For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0190 AUTHOR 4069-6308-1312 # Reading MODEL 1 PARENT N/A # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0190 # Total number of residues in target: 114 # Total number of residues in model: 114 # Total number of atoms in model: 922 # Number of atoms with 1.0 occupancy: 922 # Number of fragments in model: 1 # Number of METHOD records: 109 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0190 AUTHOR 4069-6308-1312 METHOD The SAM-T02 human predictions start with the same method as the METHOD SAM-T02 server: METHOD METHOD Use the SAM-T2K method for finding homologs of the target and METHOD aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignment. We currently have 5 local-structure METHOD alphabets: METHOD DSSP METHOD STRIDE METHOD STR an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD METHOD DSSP_EHL2 is not predicted directly by a neural net, but is METHOD computed as a weighted average of the other 4 networks (each METHOD probability vector output is multiplied by conditional METHOD probability matrix P(E|letter) P(H|letter) P(L|letter)). The METHOD weights for the averaging are the mutual information between the METHOD local structure alphabet and the DSSP_EHL2 alphabet in a large METHOD training set. METHOD METHOD METHOD We make four 2-track HMMs (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of about 6200 templates. METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD [Difference from server: the web server did not include the ALPHA METHOD alphabet in either the DSSP_EHL2 computation or the 2-track HMMS.] METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (all using the SAM hmmscore METHOD program). METHOD METHOD After the large set of alignments were made the "human" methods and METHOD the server diverge significantly. The server just picks the METHOD best-scoring templates (after removing redundancy) and reports the METHOD local posterior-decoding alignments made with the 2-track AA+STR METHOD target HMM. METHOD METHOD The hand method used SAM's "fragfinder" program and the 2-track AA+STR METHOD HMM to find short fragments (9 residues long) for each position in the METHOD sequence (6 fragments were kept for each position). METHOD METHOD Then the "undertaker" program (named because it optimizes burial) is METHOD used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was used, METHOD though in many cases one had much more influence than the others. The METHOD alignment scores were not passed to undertaker, but were used only to METHOD pike the set of alignments and fragments that undertaker would see. METHOD METHOD A genetic algorithm with about 16 different operators were used to METHOD optimize a score function. The score function was hand-tweaked for METHOD each target (mainly by adding constraints to keep beta sheets METHOD together, but also by adjusting what terms were included in the score METHOD function and what weights were used). Undertaker was undergoing METHOD extensive modification during CASP season, so may have had quite METHOD different features available for different targets. METHOD METHOD Bower and Dunbrack's SCWRL was run on some of the intermediate METHOD conformations generated by undertaker, but the final conformation was METHOD chosen entirely by the undertaker score function. METHOD METHOD Optimization was generally done in many passes, with hand inspection METHOD of the best conformation after each pass, followed (often) by tweaking METHOD the score function to move the conformation in a direction we desired. METHOD METHOD In a few cases, when we started getting a decent structure that did METHOD not correspond well to our input alignments, we submitted the METHOD structure to VAST to get structure-structure alignments, to try to METHOD find some other possible templates to use as a base. METHOD METHOD In some cases, when several conformations had good parts, different METHOD conformations were manually cut-and-pasted, with undertaker run to try METHOD to smooth out the transitions. METHOD METHOD Because undertaker does not (yet) handle multimers, we often added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. This is a crude hack that we hope to get rid METHOD of when we have multimers implemented. METHOD METHOD Because undertaker does not (yet) have a hydrogen-bond scoring METHOD function, we often had to add constraints to hold beta sheets METHOD together. In some cases where the register was not obvious, we had to METHOD guess or try several different registers. METHOD METHOD In some cases, when we got desperate for initial starting points, we METHOD threw the Robetta ab-initio models into the undertaker pool, and METHOD optimized from them as well as the ones undertaker started with. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD SAM-T02 method for each subchain. The alignments found were all METHOD tossed into the undertaker conformation search. In some cases, we METHOD performed undertaker runs for the subchains, and cut-and-pasted the METHOD pieces into one PDB file (with bad breaks) and let undertaker try to METHOD assemble the pieces. MODEL 1 PARENT N/A ATOM 1 N ALA 1 -13.400 -4.113 -7.774 1.00 0.00 ATOM 2 CA ALA 1 -13.958 -4.839 -8.910 1.00 0.00 ATOM 3 CB ALA 1 -13.505 -4.184 -10.192 1.00 0.00 ATOM 4 O ALA 1 -12.365 -6.595 -8.435 1.00 0.00 ATOM 5 C ALA 1 -13.399 -6.262 -9.000 1.00 0.00 ATOM 6 N GLN 2 -14.106 -7.128 -9.688 1.00 0.00 ATOM 7 CA GLN 2 -13.715 -8.508 -9.900 1.00 0.00 ATOM 8 CB GLN 2 -14.832 -9.099 -10.786 1.00 0.00 ATOM 9 CG GLN 2 -14.741 -10.496 -11.300 1.00 0.00 ATOM 10 CD GLN 2 -16.030 -10.752 -12.118 1.00 0.00 ATOM 11 OE1 GLN 2 -16.880 -9.840 -12.224 1.00 0.00 ATOM 12 NE2 GLN 2 -16.139 -11.972 -12.632 1.00 0.00 ATOM 13 O GLN 2 -11.657 -9.708 -10.181 1.00 0.00 ATOM 14 C GLN 2 -12.354 -8.691 -10.509 1.00 0.00 ATOM 15 N GLN 3 -11.901 -7.806 -11.384 1.00 0.00 ATOM 16 CA GLN 3 -10.578 -7.935 -12.003 1.00 0.00 ATOM 17 CB GLN 3 -10.652 -7.588 -13.490 1.00 0.00 ATOM 18 CG GLN 3 -11.421 -8.585 -14.310 1.00 0.00 ATOM 19 CD GLN 3 -10.758 -9.938 -14.282 1.00 0.00 ATOM 20 OE1 GLN 3 -9.531 -10.039 -14.400 1.00 0.00 ATOM 21 NE2 GLN 3 -11.558 -10.988 -14.112 1.00 0.00 ATOM 22 O GLN 3 -9.936 -5.744 -11.309 1.00 0.00 ATOM 23 C GLN 3 -9.640 -6.938 -11.336 1.00 0.00 ATOM 24 N ASN 4 -8.498 -7.370 -10.818 1.00 0.00 ATOM 25 CA ASN 4 -7.537 -6.522 -10.161 1.00 0.00 ATOM 26 CB ASN 4 -6.691 -5.770 -11.193 1.00 0.00 ATOM 27 CG ASN 4 -5.890 -6.702 -12.080 1.00 0.00 ATOM 28 ND2 ASN 4 -6.150 -6.647 -13.382 1.00 0.00 ATOM 29 OD1 ASN 4 -5.048 -7.461 -11.599 1.00 0.00 ATOM 30 O ASN 4 -7.967 -4.238 -9.408 1.00 0.00 ATOM 31 C ASN 4 -8.158 -5.454 -9.245 1.00 0.00 ATOM 32 N ILE 5 -8.794 -5.878 -8.170 1.00 0.00 ATOM 33 CA ILE 5 -9.491 -4.967 -7.266 1.00 0.00 ATOM 34 CB ILE 5 -10.383 -5.731 -6.269 1.00 0.00 ATOM 35 CG1 ILE 5 -11.413 -4.791 -5.645 1.00 0.00 ATOM 36 CG2 ILE 5 -9.540 -6.333 -5.155 1.00 0.00 ATOM 37 CD1 ILE 5 -12.514 -5.505 -4.891 1.00 0.00 ATOM 38 O ILE 5 -9.084 -3.052 -5.925 1.00 0.00 ATOM 39 C ILE 5 -8.618 -4.079 -6.400 1.00 0.00 ATOM 40 N LEU 6 -7.375 -4.498 -6.171 1.00 0.00 ATOM 41 CA LEU 6 -6.462 -3.709 -5.333 1.00 0.00 ATOM 42 CB LEU 6 -6.583 -4.203 -3.873 1.00 0.00 ATOM 43 CG LEU 6 -7.964 -4.244 -3.224 1.00 0.00 ATOM 44 CD1 LEU 6 -7.854 -5.002 -1.893 1.00 0.00 ATOM 45 CD2 LEU 6 -8.383 -2.753 -2.969 1.00 0.00 ATOM 46 O LEU 6 -4.440 -4.742 -6.111 1.00 0.00 ATOM 47 C LEU 6 -5.064 -3.705 -5.912 1.00 0.00 ATOM 48 N SER 7 -4.533 -2.523 -6.168 1.00 0.00 ATOM 49 CA SER 7 -3.186 -2.371 -6.710 1.00 0.00 ATOM 50 CB SER 7 -3.247 -1.958 -8.183 1.00 0.00 ATOM 51 OG SER 7 -3.893 -2.945 -8.964 1.00 0.00 ATOM 52 O SER 7 -3.141 -0.349 -5.441 1.00 0.00 ATOM 53 C SER 7 -2.492 -1.291 -5.888 1.00 0.00 ATOM 54 N VAL 8 -1.193 -1.448 -5.692 1.00 0.00 ATOM 55 CA VAL 8 -0.375 -0.477 -4.951 1.00 0.00 ATOM 56 CB VAL 8 0.451 -1.168 -3.861 1.00 0.00 ATOM 57 CG1 VAL 8 1.310 -0.137 -3.154 1.00 0.00 ATOM 58 CG2 VAL 8 -0.485 -1.846 -2.870 1.00 0.00 ATOM 59 O VAL 8 1.288 -0.648 -6.705 1.00 0.00 ATOM 60 C VAL 8 0.703 0.087 -5.898 1.00 0.00 ATOM 61 N HIS 9 0.943 1.387 -5.781 1.00 0.00 ATOM 62 CA HIS 9 1.884 2.137 -6.613 1.00 0.00 ATOM 63 CB HIS 9 1.128 3.056 -7.592 1.00 0.00 ATOM 64 CG HIS 9 2.038 3.819 -8.527 1.00 0.00 ATOM 65 CD2 HIS 9 3.374 4.047 -8.489 1.00 0.00 ATOM 66 ND1 HIS 9 1.579 4.446 -9.671 1.00 0.00 ATOM 67 CE1 HIS 9 2.589 5.024 -10.295 1.00 0.00 ATOM 68 NE2 HIS 9 3.691 4.798 -9.598 1.00 0.00 ATOM 69 O HIS 9 2.161 3.801 -4.907 1.00 0.00 ATOM 70 C HIS 9 2.718 2.980 -5.662 1.00 0.00 ATOM 71 N ILE 10 4.044 2.789 -5.686 1.00 0.00 ATOM 72 CA ILE 10 4.913 3.535 -4.781 1.00 0.00 ATOM 73 CB ILE 10 5.755 2.587 -3.927 1.00 0.00 ATOM 74 CG1 ILE 10 4.832 1.670 -3.135 1.00 0.00 ATOM 75 CG2 ILE 10 6.652 3.386 -2.978 1.00 0.00 ATOM 76 CD1 ILE 10 5.581 0.692 -2.274 1.00 0.00 ATOM 77 O ILE 10 6.541 3.805 -6.548 1.00 0.00 ATOM 78 C ILE 10 5.948 4.322 -5.586 1.00 0.00 ATOM 79 N LEU 11 6.110 5.587 -5.219 1.00 0.00 ATOM 80 CA LEU 11 7.035 6.462 -5.888 1.00 0.00 ATOM 81 CB LEU 11 6.274 7.568 -6.664 1.00 0.00 ATOM 82 CG LEU 11 5.365 7.157 -7.823 1.00 0.00 ATOM 83 CD1 LEU 11 4.704 8.387 -8.352 1.00 0.00 ATOM 84 CD2 LEU 11 6.159 6.465 -8.934 1.00 0.00 ATOM 85 O LEU 11 7.607 7.343 -3.740 1.00 0.00 ATOM 86 C LEU 11 7.986 7.079 -4.877 1.00 0.00 ATOM 87 N ASN 12 9.184 7.407 -5.356 1.00 0.00 ATOM 88 CA ASN 12 10.264 7.989 -4.570 1.00 0.00 ATOM 89 CB ASN 12 11.400 7.432 -4.320 1.00 0.00 ATOM 90 CG ASN 12 12.420 8.450 -3.861 1.00 0.00 ATOM 91 ND2 ASN 12 13.553 8.513 -4.554 1.00 0.00 ATOM 92 OD1 ASN 12 12.184 9.185 -2.900 1.00 0.00 ATOM 93 O ASN 12 10.799 9.757 -6.137 1.00 0.00 ATOM 94 C ASN 12 10.418 9.459 -4.983 1.00 0.00 ATOM 95 N GLN 13 10.141 10.360 -4.037 1.00 0.00 ATOM 96 CA GLN 13 10.224 11.814 -4.234 1.00 0.00 ATOM 97 CB GLN 13 8.930 12.352 -3.425 1.00 0.00 ATOM 98 CG GLN 13 7.653 11.898 -4.137 1.00 0.00 ATOM 99 CD GLN 13 7.373 12.779 -5.338 1.00 0.00 ATOM 100 OE1 GLN 13 6.941 13.934 -5.188 1.00 0.00 ATOM 101 NE2 GLN 13 7.628 12.286 -6.549 1.00 0.00 ATOM 102 O GLN 13 11.889 13.520 -4.531 1.00 0.00 ATOM 103 C GLN 13 11.657 12.359 -4.197 1.00 0.00 ATOM 104 N GLN 14 12.600 11.565 -3.700 1.00 0.00 ATOM 105 CA GLN 14 14.000 12.005 -3.650 1.00 0.00 ATOM 106 CB GLN 14 14.783 11.426 -2.511 1.00 0.00 ATOM 107 CG GLN 14 14.340 11.907 -1.156 1.00 0.00 ATOM 108 CD GLN 14 14.648 13.382 -0.935 1.00 0.00 ATOM 109 OE1 GLN 14 15.823 13.783 -0.930 1.00 0.00 ATOM 110 NE2 GLN 14 13.599 14.201 -0.784 1.00 0.00 ATOM 111 O GLN 14 15.611 12.475 -5.389 1.00 0.00 ATOM 112 C GLN 14 14.769 11.690 -4.950 1.00 0.00 ATOM 113 N THR 15 14.436 10.579 -5.594 1.00 0.00 ATOM 114 CA THR 15 15.119 10.171 -6.812 1.00 0.00 ATOM 115 CB THR 15 15.673 8.773 -6.770 1.00 0.00 ATOM 116 CG2 THR 15 16.730 8.648 -5.680 1.00 0.00 ATOM 117 OG1 THR 15 14.608 7.843 -6.522 1.00 0.00 ATOM 118 O THR 15 14.875 10.231 -9.186 1.00 0.00 ATOM 119 C THR 15 14.322 10.378 -8.088 1.00 0.00 ATOM 120 N GLY 16 13.021 10.667 -7.954 1.00 0.00 ATOM 121 CA GLY 16 12.196 10.874 -9.131 1.00 0.00 ATOM 122 O GLY 16 12.123 9.494 -11.117 1.00 0.00 ATOM 123 C GLY 16 12.022 9.576 -9.879 1.00 0.00 ATOM 124 N LYS 17 11.722 8.539 -9.123 1.00 0.00 ATOM 125 CA LYS 17 11.567 7.238 -9.726 1.00 0.00 ATOM 126 CB LYS 17 12.932 6.444 -9.458 1.00 0.00 ATOM 127 CG LYS 17 14.188 7.037 -10.079 1.00 0.00 ATOM 128 CD LYS 17 14.276 6.790 -11.564 1.00 0.00 ATOM 129 CE LYS 17 15.599 7.320 -12.095 1.00 0.00 ATOM 130 NZ LYS 17 16.757 6.837 -11.260 1.00 0.00 ATOM 131 O LYS 17 10.142 6.784 -7.847 1.00 0.00 ATOM 132 C LYS 17 10.594 6.390 -8.932 1.00 0.00 ATOM 133 N PRO 18 10.213 5.232 -9.492 1.00 0.00 ATOM 134 CA PRO 18 9.295 4.338 -8.791 1.00 0.00 ATOM 135 CB PRO 18 9.037 3.235 -9.815 1.00 0.00 ATOM 136 CG PRO 18 9.421 3.852 -11.142 1.00 0.00 ATOM 137 CD PRO 18 10.576 4.707 -10.822 1.00 0.00 ATOM 138 O PRO 18 11.399 3.772 -7.753 1.00 0.00 ATOM 139 C PRO 18 10.150 3.783 -7.655 1.00 0.00 ATOM 140 N ALA 19 9.499 3.354 -6.583 1.00 0.00 ATOM 141 CA ALA 19 10.176 2.785 -5.432 1.00 0.00 ATOM 142 CB ALA 19 9.459 3.183 -4.148 1.00 0.00 ATOM 143 O ALA 19 9.048 0.653 -5.626 1.00 0.00 ATOM 144 C ALA 19 10.107 1.279 -5.688 1.00 0.00 ATOM 145 N ALA 20 11.243 0.716 -6.061 1.00 0.00 ATOM 146 CA ALA 20 11.341 -0.684 -6.416 1.00 0.00 ATOM 147 CB ALA 20 12.449 -0.841 -7.464 1.00 0.00 ATOM 148 O ALA 20 12.343 -1.169 -4.299 1.00 0.00 ATOM 149 C ALA 20 11.642 -1.577 -5.231 1.00 0.00 ATOM 150 N ASP 21 11.049 -2.772 -5.241 1.00 0.00 ATOM 151 CA ASP 21 11.285 -3.769 -4.203 1.00 0.00 ATOM 152 CB ASP 21 12.840 -4.212 -4.255 1.00 0.00 ATOM 153 CG ASP 21 13.249 -5.532 -3.611 1.00 0.00 ATOM 154 OD1 ASP 21 12.575 -6.536 -3.848 1.00 0.00 ATOM 155 OD2 ASP 21 14.232 -5.564 -2.860 1.00 0.00 ATOM 156 O ASP 21 11.402 -3.765 -1.818 1.00 0.00 ATOM 157 C ASP 21 10.799 -3.383 -2.822 1.00 0.00 ATOM 158 N VAL 22 9.744 -2.589 -2.755 1.00 0.00 ATOM 159 CA VAL 22 9.207 -2.190 -1.463 1.00 0.00 ATOM 160 CB VAL 22 8.493 -0.843 -1.548 1.00 0.00 ATOM 161 CG1 VAL 22 7.959 -0.467 -0.204 1.00 0.00 ATOM 162 CG2 VAL 22 9.465 0.237 -2.002 1.00 0.00 ATOM 163 O VAL 22 7.420 -3.793 -1.795 1.00 0.00 ATOM 164 C VAL 22 8.243 -3.306 -1.009 1.00 0.00 ATOM 165 N THR 23 8.420 -3.790 0.208 1.00 0.00 ATOM 166 CA THR 23 7.583 -4.844 0.756 1.00 0.00 ATOM 167 CB THR 23 8.239 -5.182 2.208 1.00 0.00 ATOM 168 CG2 THR 23 7.369 -6.201 2.928 1.00 0.00 ATOM 169 OG1 THR 23 9.548 -5.734 2.011 1.00 0.00 ATOM 170 O THR 23 6.210 -3.130 1.726 1.00 0.00 ATOM 171 C THR 23 6.262 -4.237 1.161 1.00 0.00 ATOM 172 N VAL 24 5.191 -4.934 0.824 1.00 0.00 ATOM 173 CA VAL 24 3.836 -4.464 1.142 1.00 0.00 ATOM 174 CB VAL 24 3.042 -4.023 -0.141 1.00 0.00 ATOM 175 CG1 VAL 24 1.637 -3.557 0.228 1.00 0.00 ATOM 176 CG2 VAL 24 3.796 -2.905 -0.928 1.00 0.00 ATOM 177 O VAL 24 3.057 -6.734 1.377 1.00 0.00 ATOM 178 C VAL 24 3.043 -5.581 1.831 1.00 0.00 ATOM 179 N THR 25 2.404 -5.254 2.958 1.00 0.00 ATOM 180 CA THR 25 1.590 -6.237 3.666 1.00 0.00 ATOM 181 CB THR 25 1.991 -6.340 5.149 1.00 0.00 ATOM 182 CG2 THR 25 3.449 -6.749 5.278 1.00 0.00 ATOM 183 OG1 THR 25 1.805 -5.070 5.787 1.00 0.00 ATOM 184 O THR 25 -0.204 -4.638 3.577 1.00 0.00 ATOM 185 C THR 25 0.122 -5.829 3.590 1.00 0.00 ATOM 186 N LEU 26 -0.749 -6.835 3.515 1.00 0.00 ATOM 187 CA LEU 26 -2.194 -6.629 3.425 1.00 0.00 ATOM 188 CB LEU 26 -2.745 -7.250 2.139 1.00 0.00 ATOM 189 CG LEU 26 -2.209 -6.676 0.826 1.00 0.00 ATOM 190 CD1 LEU 26 -2.740 -7.465 -0.362 1.00 0.00 ATOM 191 CD2 LEU 26 -2.632 -5.225 0.660 1.00 0.00 ATOM 192 O LEU 26 -2.872 -8.524 4.731 1.00 0.00 ATOM 193 C LEU 26 -2.845 -7.292 4.632 1.00 0.00 ATOM 194 N GLU 27 -4.091 -6.176 4.542 1.00 0.00 ATOM 195 CA GLU 27 -4.961 -6.774 5.544 1.00 0.00 ATOM 196 CB GLU 27 -4.611 -6.251 6.938 1.00 0.00 ATOM 197 CG GLU 27 -3.212 -6.614 7.405 1.00 0.00 ATOM 198 CD GLU 27 -2.882 -6.035 8.766 1.00 0.00 ATOM 199 OE1 GLU 27 -3.729 -5.307 9.323 1.00 0.00 ATOM 200 OE2 GLU 27 -1.775 -6.308 9.277 1.00 0.00 ATOM 201 O GLU 27 -6.658 -5.421 4.577 1.00 0.00 ATOM 202 C GLU 27 -6.410 -6.421 5.230 1.00 0.00 ATOM 203 N LYS 28 -7.311 -7.243 5.753 1.00 0.00 ATOM 204 CA LYS 28 -8.739 -6.985 5.584 1.00 0.00 ATOM 205 CB LYS 28 -9.371 -8.046 4.681 1.00 0.00 ATOM 206 CG LYS 28 -9.386 -9.442 5.280 1.00 0.00 ATOM 207 CD LYS 28 -10.011 -10.447 4.325 1.00 0.00 ATOM 208 CE LYS 28 -10.030 -11.842 4.928 1.00 0.00 ATOM 209 NZ LYS 28 -10.630 -12.840 3.998 1.00 0.00 ATOM 210 O LYS 28 -8.953 -7.863 7.804 1.00 0.00 ATOM 211 C LYS 28 -9.354 -7.035 6.980 1.00 0.00 ATOM 212 N LYS 29 -10.296 -6.139 7.233 1.00 0.00 ATOM 213 CA LYS 29 -10.943 -6.148 8.549 1.00 0.00 ATOM 214 CB LYS 29 -11.424 -5.176 9.178 1.00 0.00 ATOM 215 CG LYS 29 -10.349 -4.863 10.170 1.00 0.00 ATOM 216 CD LYS 29 -10.775 -3.923 11.262 1.00 0.00 ATOM 217 CE LYS 29 -9.662 -3.515 12.228 1.00 0.00 ATOM 218 NZ LYS 29 -10.142 -2.564 13.250 1.00 0.00 ATOM 219 O LYS 29 -12.811 -7.439 7.735 1.00 0.00 ATOM 220 C LYS 29 -11.942 -7.302 8.596 1.00 0.00 ATOM 221 N ALA 30 -11.771 -8.145 9.608 1.00 0.00 ATOM 222 CA ALA 30 -12.663 -9.316 9.808 1.00 0.00 ATOM 223 CB ALA 30 -12.224 -10.148 10.955 1.00 0.00 ATOM 224 O ALA 30 -15.031 -9.406 9.518 1.00 0.00 ATOM 225 C ALA 30 -14.082 -8.808 10.033 1.00 0.00 ATOM 226 N ASP 31 -14.181 -7.680 10.746 1.00 0.00 ATOM 227 CA ASP 31 -15.489 -7.075 10.997 1.00 0.00 ATOM 228 CB ASP 31 -16.016 -7.859 12.202 1.00 0.00 ATOM 229 CG ASP 31 -17.207 -7.326 12.840 1.00 0.00 ATOM 230 OD1 ASP 31 -17.080 -6.442 13.654 1.00 0.00 ATOM 231 OD2 ASP 31 -18.307 -7.838 12.489 1.00 0.00 ATOM 232 O ASP 31 -14.266 -5.389 12.191 1.00 0.00 ATOM 233 C ASP 31 -15.321 -5.698 11.634 1.00 0.00 ATOM 234 N ASN 32 -13.730 -7.311 13.812 1.00 0.00 ATOM 235 CA ASN 32 -13.021 -6.049 13.784 1.00 0.00 ATOM 236 CB ASN 32 -13.459 -5.206 15.058 1.00 0.00 ATOM 237 CG ASN 32 -13.187 -3.716 14.992 1.00 0.00 ATOM 238 ND2 ASN 32 -12.707 -3.159 16.096 1.00 0.00 ATOM 239 OD1 ASN 32 -13.419 -3.069 13.973 1.00 0.00 ATOM 240 O ASN 32 -10.873 -5.081 14.110 1.00 0.00 ATOM 241 C ASN 32 -11.508 -6.123 13.893 1.00 0.00 ATOM 242 N GLY 33 -10.924 -7.300 13.748 1.00 0.00 ATOM 243 CA GLY 33 -9.472 -7.422 13.789 1.00 0.00 ATOM 244 O GLY 33 -9.704 -7.607 11.414 1.00 0.00 ATOM 245 C GLY 33 -8.947 -7.367 12.352 1.00 0.00 ATOM 246 N TRP 34 -7.671 -7.059 12.202 1.00 0.00 ATOM 247 CA TRP 34 -7.049 -7.055 10.890 1.00 0.00 ATOM 248 CB TRP 34 -5.847 -6.107 10.870 1.00 0.00 ATOM 249 CG TRP 34 -6.221 -4.662 10.975 1.00 0.00 ATOM 250 CD1 TRP 34 -6.465 -3.801 9.946 1.00 0.00 ATOM 251 CD2 TRP 34 -6.396 -3.906 12.180 1.00 0.00 ATOM 252 CE2 TRP 34 -6.744 -2.594 11.803 1.00 0.00 ATOM 253 CE3 TRP 34 -6.292 -4.210 13.541 1.00 0.00 ATOM 254 NE1 TRP 34 -6.780 -2.555 10.431 1.00 0.00 ATOM 255 CZ2 TRP 34 -6.988 -1.588 12.735 1.00 0.00 ATOM 256 CZ3 TRP 34 -6.536 -3.210 14.463 1.00 0.00 ATOM 257 CH2 TRP 34 -6.881 -1.916 14.060 1.00 0.00 ATOM 258 O TRP 34 -5.936 -9.112 11.439 1.00 0.00 ATOM 259 C TRP 34 -6.593 -8.485 10.597 1.00 0.00 ATOM 260 N LEU 35 -6.999 -9.009 9.468 1.00 0.00 ATOM 261 CA LEU 35 -6.623 -10.344 9.017 1.00 0.00 ATOM 262 CB LEU 35 -7.863 -11.147 8.618 1.00 0.00 ATOM 263 CG LEU 35 -8.869 -11.440 9.735 1.00 0.00 ATOM 264 CD1 LEU 35 -10.107 -12.127 9.177 1.00 0.00 ATOM 265 CD2 LEU 35 -8.251 -12.355 10.784 1.00 0.00 ATOM 266 O LEU 35 -5.962 -9.457 6.891 1.00 0.00 ATOM 267 C LEU 35 -5.702 -10.221 7.819 1.00 0.00 ATOM 268 N GLN 36 -4.603 -10.958 7.796 1.00 0.00 ATOM 269 CA GLN 36 -3.698 -10.934 6.655 1.00 0.00 ATOM 270 CB GLN 36 -2.572 -11.953 6.845 1.00 0.00 ATOM 271 CG GLN 36 -1.529 -11.939 5.740 1.00 0.00 ATOM 272 CD GLN 36 -0.398 -12.914 5.993 1.00 0.00 ATOM 273 OE1 GLN 36 -0.393 -13.627 6.998 1.00 0.00 ATOM 274 NE2 GLN 36 0.566 -12.952 5.081 1.00 0.00 ATOM 275 O GLN 36 -5.279 -12.218 5.395 1.00 0.00 ATOM 276 C GLN 36 -4.475 -11.275 5.401 1.00 0.00 ATOM 277 N LEU 37 -4.271 -10.530 4.327 1.00 0.00 ATOM 278 CA LEU 37 -4.986 -10.731 3.074 1.00 0.00 ATOM 279 CB LEU 37 -5.737 -9.460 2.674 1.00 0.00 ATOM 280 CG LEU 37 -6.492 -9.508 1.345 1.00 0.00 ATOM 281 CD1 LEU 37 -7.601 -10.550 1.396 1.00 0.00 ATOM 282 CD2 LEU 37 -7.125 -8.158 1.036 1.00 0.00 ATOM 283 O LEU 37 -4.333 -11.957 1.089 1.00 0.00 ATOM 284 C LEU 37 -4.074 -11.090 1.918 1.00 0.00 ATOM 285 N ASN 38 -2.952 -10.388 1.791 1.00 0.00 ATOM 286 CA ASN 38 -1.981 -10.645 0.738 1.00 0.00 ATOM 287 CB ASN 38 -2.422 -9.879 -0.498 1.00 0.00 ATOM 288 CG ASN 38 -3.667 -10.511 -1.127 1.00 0.00 ATOM 289 ND2 ASN 38 -3.620 -11.787 -1.269 1.00 0.00 ATOM 290 OD1 ASN 38 -4.725 -9.843 -1.422 1.00 0.00 ATOM 291 O ASN 38 -0.740 -8.937 1.829 1.00 0.00 ATOM 292 C ASN 38 -0.698 -9.881 1.042 1.00 0.00 ATOM 293 N THR 39 0.402 -10.268 0.417 1.00 0.00 ATOM 294 CA THR 39 1.635 -9.502 0.591 1.00 0.00 ATOM 295 CB THR 39 2.389 -9.925 1.864 1.00 0.00 ATOM 296 CG2 THR 39 1.473 -9.846 3.076 1.00 0.00 ATOM 297 OG1 THR 39 2.855 -11.273 1.721 1.00 0.00 ATOM 298 O THR 39 2.344 -10.658 -1.402 1.00 0.00 ATOM 299 C THR 39 2.536 -9.738 -0.610 1.00 0.00 ATOM 300 N ALA 40 3.530 -8.871 -0.765 1.00 0.00 ATOM 301 CA ALA 40 4.477 -8.994 -1.863 1.00 0.00 ATOM 302 CB ALA 40 3.759 -8.873 -3.199 1.00 0.00 ATOM 303 O ALA 40 5.563 -7.173 -0.767 1.00 0.00 ATOM 304 C ALA 40 5.530 -7.885 -1.761 1.00 0.00 ATOM 305 N LYS 41 6.355 -7.795 -2.795 1.00 0.00 ATOM 306 CA LYS 41 7.378 -6.761 -2.844 1.00 0.00 ATOM 307 CB LYS 41 8.767 -7.373 -2.644 1.00 0.00 ATOM 308 CG LYS 41 8.977 -7.996 -1.273 1.00 0.00 ATOM 309 CD LYS 41 10.379 -8.569 -1.137 1.00 0.00 ATOM 310 CE LYS 41 10.590 -9.193 0.232 1.00 0.00 ATOM 311 NZ LYS 41 11.954 -9.770 0.375 1.00 0.00 ATOM 312 O LYS 41 7.028 -6.708 -5.194 1.00 0.00 ATOM 313 C LYS 41 7.331 -6.074 -4.198 1.00 0.00 ATOM 314 N THR 42 7.644 -4.781 -4.207 1.00 0.00 ATOM 315 CA THR 42 7.648 -4.067 -5.480 1.00 0.00 ATOM 316 CB THR 42 7.333 -2.533 -5.177 1.00 0.00 ATOM 317 CG2 THR 42 6.117 -2.380 -4.267 1.00 0.00 ATOM 318 OG1 THR 42 8.484 -1.970 -4.532 1.00 0.00 ATOM 319 O THR 42 9.874 -4.935 -5.901 1.00 0.00 ATOM 320 C THR 42 8.797 -4.552 -6.365 1.00 0.00 ATOM 321 N ASP 43 8.519 -4.548 -7.657 1.00 0.00 ATOM 322 CA ASP 43 9.471 -4.958 -8.683 1.00 0.00 ATOM 323 CB ASP 43 8.737 -5.394 -9.953 1.00 0.00 ATOM 324 CG ASP 43 9.580 -6.300 -10.830 1.00 0.00 ATOM 325 OD1 ASP 43 9.442 -6.222 -12.069 1.00 0.00 ATOM 326 OD2 ASP 43 10.376 -7.087 -10.278 1.00 0.00 ATOM 327 O ASP 43 10.395 -2.735 -8.447 1.00 0.00 ATOM 328 C ASP 43 10.415 -3.809 -9.049 1.00 0.00 ATOM 329 N LYS 44 11.208 -4.065 -10.102 1.00 0.00 ATOM 330 CA LYS 44 12.136 -3.039 -10.587 1.00 0.00 ATOM 331 CB LYS 44 12.972 -3.627 -11.755 1.00 0.00 ATOM 332 CG LYS 44 13.894 -4.762 -11.273 1.00 0.00 ATOM 333 CD LYS 44 14.374 -5.584 -12.454 1.00 0.00 ATOM 334 CE LYS 44 14.770 -6.994 -12.051 1.00 0.00 ATOM 335 NZ LYS 44 15.100 -7.828 -13.259 1.00 0.00 ATOM 336 O LYS 44 11.931 -0.687 -10.972 1.00 0.00 ATOM 337 C LYS 44 11.404 -1.803 -11.071 1.00 0.00 ATOM 338 N ASP 45 10.234 -1.919 -11.642 1.00 0.00 ATOM 339 CA ASP 45 9.528 -0.728 -12.195 1.00 0.00 ATOM 340 CB ASP 45 8.584 -1.209 -13.338 1.00 0.00 ATOM 341 CG ASP 45 9.373 -1.746 -14.558 1.00 0.00 ATOM 342 OD1 ASP 45 10.406 -1.196 -15.068 1.00 0.00 ATOM 343 OD2 ASP 45 8.924 -2.816 -15.071 1.00 0.00 ATOM 344 O ASP 45 8.414 1.324 -11.630 1.00 0.00 ATOM 345 C ASP 45 8.897 0.227 -11.217 1.00 0.00 ATOM 346 N GLY 46 8.849 -0.573 -9.490 1.00 0.00 ATOM 347 CA GLY 46 8.213 -0.007 -8.310 1.00 0.00 ATOM 348 O GLY 46 6.025 0.060 -7.345 1.00 0.00 ATOM 349 C GLY 46 6.769 -0.463 -8.176 1.00 0.00 ATOM 350 N ARG 47 6.383 -1.478 -8.929 1.00 0.00 ATOM 351 CA ARG 47 5.008 -1.940 -8.932 1.00 0.00 ATOM 352 CB ARG 47 4.468 -2.002 -10.363 1.00 0.00 ATOM 353 CG ARG 47 4.387 -0.652 -11.054 1.00 0.00 ATOM 354 CD ARG 47 3.823 -0.784 -12.459 1.00 0.00 ATOM 355 NE ARG 47 3.819 0.492 -13.171 1.00 0.00 ATOM 356 CZ ARG 47 2.855 1.402 -13.069 1.00 0.00 ATOM 357 NH1 ARG 47 2.937 2.535 -13.754 1.00 0.00 ATOM 358 NH2 ARG 47 1.812 1.176 -12.281 1.00 0.00 ATOM 359 O ARG 47 5.760 -4.150 -8.360 1.00 0.00 ATOM 360 C ARG 47 4.862 -3.323 -8.333 1.00 0.00 ATOM 361 N ILE 48 3.694 -3.550 -7.760 1.00 0.00 ATOM 362 CA ILE 48 3.354 -4.844 -7.191 1.00 0.00 ATOM 363 CB ILE 48 3.581 -4.868 -5.637 1.00 0.00 ATOM 364 CG1 ILE 48 3.308 -6.262 -5.076 1.00 0.00 ATOM 365 CG2 ILE 48 2.716 -3.796 -4.932 1.00 0.00 ATOM 366 CD1 ILE 48 4.259 -7.335 -5.596 1.00 0.00 ATOM 367 O ILE 48 1.011 -4.542 -7.459 1.00 0.00 ATOM 368 C ILE 48 1.986 -5.226 -7.738 1.00 0.00 ATOM 369 N LYS 49 2.002 -6.272 -8.531 1.00 0.00 ATOM 370 CA LYS 49 0.828 -6.823 -9.177 1.00 0.00 ATOM 371 CB LYS 49 1.053 -6.944 -10.686 1.00 0.00 ATOM 372 CG LYS 49 1.356 -5.623 -11.374 1.00 0.00 ATOM 373 CD LYS 49 1.553 -5.814 -12.870 1.00 0.00 ATOM 374 CE LYS 49 1.856 -4.494 -13.559 1.00 0.00 ATOM 375 NZ LYS 49 2.065 -4.666 -15.023 1.00 0.00 ATOM 376 O LYS 49 1.379 -8.785 -7.872 1.00 0.00 ATOM 377 C LYS 49 0.557 -8.214 -8.586 1.00 0.00 ATOM 378 N ALA 50 -0.607 -8.754 -8.898 1.00 0.00 ATOM 379 CA ALA 50 -0.973 -10.092 -8.493 1.00 0.00 ATOM 380 CB ALA 50 0.141 -11.071 -8.825 1.00 0.00 ATOM 381 O ALA 50 -1.244 -11.468 -6.570 1.00 0.00 ATOM 382 C ALA 50 -1.262 -10.319 -7.031 1.00 0.00 ATOM 383 N LEU 51 -1.552 -9.290 -6.255 1.00 0.00 ATOM 384 CA LEU 51 -1.855 -9.454 -4.837 1.00 0.00 ATOM 385 CB LEU 51 -0.854 -8.686 -3.966 1.00 0.00 ATOM 386 CG LEU 51 0.619 -9.022 -4.190 1.00 0.00 ATOM 387 CD1 LEU 51 1.490 -8.202 -3.230 1.00 0.00 ATOM 388 CD2 LEU 51 0.839 -10.494 -4.014 1.00 0.00 ATOM 389 O LEU 51 -3.652 -7.897 -4.962 1.00 0.00 ATOM 390 C LEU 51 -3.288 -9.014 -4.615 1.00 0.00 ATOM 391 N TRP 52 -5.480 -9.804 -5.205 1.00 0.00 ATOM 392 CA TRP 52 -6.614 -8.895 -5.054 1.00 0.00 ATOM 393 CB TRP 52 -6.127 -7.396 -5.368 1.00 0.00 ATOM 394 CG TRP 52 -4.762 -6.992 -4.915 1.00 0.00 ATOM 395 CD1 TRP 52 -3.572 -7.336 -5.492 1.00 0.00 ATOM 396 CD2 TRP 52 -4.446 -6.134 -3.806 1.00 0.00 ATOM 397 CE2 TRP 52 -3.038 -6.001 -3.772 1.00 0.00 ATOM 398 CE3 TRP 52 -5.214 -5.444 -2.855 1.00 0.00 ATOM 399 NE1 TRP 52 -2.537 -6.742 -4.813 1.00 0.00 ATOM 400 CZ2 TRP 52 -2.377 -5.202 -2.815 1.00 0.00 ATOM 401 CZ3 TRP 52 -4.564 -4.644 -1.910 1.00 0.00 ATOM 402 CH2 TRP 52 -3.154 -4.533 -1.899 1.00 0.00 ATOM 403 O TRP 52 -8.574 -8.712 -6.457 1.00 0.00 ATOM 404 C TRP 52 -7.902 -9.423 -5.707 1.00 0.00 ATOM 405 N PRO 53 -8.265 -10.672 -5.420 1.00 0.00 ATOM 406 CA PRO 53 -9.495 -11.221 -6.020 1.00 0.00 ATOM 407 CB PRO 53 -9.624 -12.608 -5.367 1.00 0.00 ATOM 408 CG PRO 53 -8.694 -12.622 -4.220 1.00 0.00 ATOM 409 CD PRO 53 -7.764 -11.456 -4.287 1.00 0.00 ATOM 410 O PRO 53 -10.805 -9.693 -4.685 1.00 0.00 ATOM 411 C PRO 53 -10.756 -10.428 -5.664 1.00 0.00 ATOM 412 N GLU 54 -11.661 -10.430 -6.514 1.00 0.00 ATOM 413 CA GLU 54 -12.976 -9.821 -6.319 1.00 0.00 ATOM 414 CB GLU 54 -13.889 -9.865 -7.453 1.00 0.00 ATOM 415 CG GLU 54 -14.312 -11.217 -7.959 1.00 0.00 ATOM 416 CD GLU 54 -13.325 -12.071 -8.704 1.00 0.00 ATOM 417 OE1 GLU 54 -12.188 -11.665 -9.030 1.00 0.00 ATOM 418 OE2 GLU 54 -13.707 -13.236 -8.989 1.00 0.00 ATOM 419 O GLU 54 -14.449 -10.063 -4.409 1.00 0.00 ATOM 420 C GLU 54 -13.822 -10.623 -5.320 1.00 0.00 ATOM 421 N GLN 55 -13.833 -11.941 -5.498 1.00 0.00 ATOM 422 CA GLN 55 -14.580 -12.815 -4.606 1.00 0.00 ATOM 423 CB GLN 55 -14.535 -14.259 -5.112 1.00 0.00 ATOM 424 CG GLN 55 -15.304 -14.490 -6.402 1.00 0.00 ATOM 425 CD GLN 55 -15.182 -15.913 -6.906 1.00 0.00 ATOM 426 OE1 GLN 55 -14.497 -16.740 -6.303 1.00 0.00 ATOM 427 NE2 GLN 55 -15.848 -16.204 -8.018 1.00 0.00 ATOM 428 O GLN 55 -14.753 -12.849 -2.221 1.00 0.00 ATOM 429 C GLN 55 -14.005 -12.795 -3.194 1.00 0.00 ATOM 430 N THR 56 -12.678 -12.691 -3.070 1.00 0.00 ATOM 431 CA THR 56 -12.043 -12.644 -1.770 1.00 0.00 ATOM 432 CB THR 56 -10.565 -13.070 -1.848 1.00 0.00 ATOM 433 CG2 THR 56 -9.917 -13.001 -0.473 1.00 0.00 ATOM 434 OG1 THR 56 -10.479 -14.416 -2.335 1.00 0.00 ATOM 435 O THR 56 -12.011 -11.133 0.094 1.00 0.00 ATOM 436 C THR 56 -12.047 -11.262 -1.125 1.00 0.00 ATOM 437 N ALA 57 -12.112 -10.235 -1.959 1.00 0.00 ATOM 438 CA ALA 57 -12.054 -8.848 -1.506 1.00 0.00 ATOM 439 CB ALA 57 -11.508 -7.952 -2.607 1.00 0.00 ATOM 440 O ALA 57 -14.076 -7.552 -1.809 1.00 0.00 ATOM 441 C ALA 57 -13.445 -8.349 -1.126 1.00 0.00 ATOM 442 N THR 58 -13.875 -8.882 0.011 1.00 0.00 ATOM 443 CA THR 58 -15.199 -8.556 0.532 1.00 0.00 ATOM 444 CB THR 58 -15.702 -9.636 1.509 1.00 0.00 ATOM 445 CG2 THR 58 -15.734 -10.997 0.829 1.00 0.00 ATOM 446 OG1 THR 58 -14.828 -9.705 2.642 1.00 0.00 ATOM 447 O THR 58 -14.139 -6.594 1.436 1.00 0.00 ATOM 448 C THR 58 -15.182 -7.236 1.276 1.00 0.00 ATOM 449 N THR 59 -16.355 -6.772 1.702 1.00 0.00 ATOM 450 CA THR 59 -16.463 -5.584 2.524 1.00 0.00 ATOM 451 CB THR 59 -17.910 -5.360 3.005 1.00 0.00 ATOM 452 CG2 THR 59 -18.008 -4.076 3.814 1.00 0.00 ATOM 453 OG1 THR 59 -18.782 -5.261 1.871 1.00 0.00 ATOM 454 O THR 59 -15.458 -6.847 4.292 1.00 0.00 ATOM 455 C THR 59 -15.557 -5.750 3.746 1.00 0.00 ATOM 456 N GLY 60 -14.974 -4.639 4.189 1.00 0.00 ATOM 457 CA GLY 60 -14.161 -4.690 5.385 1.00 0.00 ATOM 458 O GLY 60 -13.307 -2.595 4.619 1.00 0.00 ATOM 459 C GLY 60 -13.289 -3.443 5.500 1.00 0.00 ATOM 460 N ASP 61 -12.571 -3.407 6.598 1.00 0.00 ATOM 461 CA ASP 61 -11.568 -2.365 6.828 1.00 0.00 ATOM 462 CB ASP 61 -11.598 -2.010 8.296 1.00 0.00 ATOM 463 CG ASP 61 -10.756 -0.809 8.579 1.00 0.00 ATOM 464 OD1 ASP 61 -9.771 -0.578 7.845 1.00 0.00 ATOM 465 OD2 ASP 61 -11.079 -0.100 9.564 1.00 0.00 ATOM 466 O ASP 61 -9.894 -4.087 7.082 1.00 0.00 ATOM 467 C ASP 61 -10.224 -3.027 6.535 1.00 0.00 ATOM 468 N TYR 62 -9.512 -2.439 5.588 1.00 0.00 ATOM 469 CA TYR 62 -8.235 -2.958 5.140 1.00 0.00 ATOM 470 CB TYR 62 -8.210 -3.058 3.624 1.00 0.00 ATOM 471 CG TYR 62 -9.134 -4.120 3.106 1.00 0.00 ATOM 472 CD1 TYR 62 -10.516 -3.937 3.140 1.00 0.00 ATOM 473 CD2 TYR 62 -8.632 -5.324 2.618 1.00 0.00 ATOM 474 CE1 TYR 62 -11.381 -4.927 2.702 1.00 0.00 ATOM 475 CE2 TYR 62 -9.487 -6.330 2.178 1.00 0.00 ATOM 476 CZ TYR 62 -10.863 -6.125 2.220 1.00 0.00 ATOM 477 OH TYR 62 -11.722 -7.108 1.786 1.00 0.00 ATOM 478 O TYR 62 -7.297 -0.776 5.501 1.00 0.00 ATOM 479 C TYR 62 -7.111 -1.989 5.457 1.00 0.00 ATOM 480 N ARG 63 -6.216 -1.771 5.863 1.00 0.00 ATOM 481 CA ARG 63 -5.007 -1.019 6.129 1.00 0.00 ATOM 482 CB ARG 63 -4.959 -0.760 7.663 1.00 0.00 ATOM 483 CG ARG 63 -6.104 0.050 8.219 1.00 0.00 ATOM 484 CD ARG 63 -5.742 0.613 9.576 1.00 0.00 ATOM 485 NE ARG 63 -6.917 1.276 10.139 1.00 0.00 ATOM 486 CZ ARG 63 -6.938 2.486 10.663 1.00 0.00 ATOM 487 NH1 ARG 63 -8.081 2.975 11.133 1.00 0.00 ATOM 488 NH2 ARG 63 -5.858 3.277 10.780 1.00 0.00 ATOM 489 O ARG 63 -3.635 -2.744 5.195 1.00 0.00 ATOM 490 C ARG 63 -3.920 -1.545 5.192 1.00 0.00 ATOM 491 N VAL 64 -3.347 -0.635 4.420 1.00 0.00 ATOM 492 CA VAL 64 -2.222 -0.957 3.550 1.00 0.00 ATOM 493 CB VAL 64 -2.570 -0.641 2.043 1.00 0.00 ATOM 494 CG1 VAL 64 -3.865 -1.303 1.615 1.00 0.00 ATOM 495 CG2 VAL 64 -2.681 0.867 1.913 1.00 0.00 ATOM 496 O VAL 64 -0.889 0.880 4.307 1.00 0.00 ATOM 497 C VAL 64 -0.983 -0.342 4.189 1.00 0.00 ATOM 498 N VAL 65 -0.096 -1.197 4.659 1.00 0.00 ATOM 499 CA VAL 65 1.146 -0.776 5.284 1.00 0.00 ATOM 500 CB VAL 65 1.498 -1.659 6.495 1.00 0.00 ATOM 501 CG1 VAL 65 2.820 -1.223 7.109 1.00 0.00 ATOM 502 CG2 VAL 65 0.416 -1.556 7.561 1.00 0.00 ATOM 503 O VAL 65 2.426 -1.962 3.638 1.00 0.00 ATOM 504 C VAL 65 2.241 -0.895 4.221 1.00 0.00 ATOM 505 N PHE 66 2.912 0.216 3.957 1.00 0.00 ATOM 506 CA PHE 66 4.010 0.226 2.981 1.00 0.00 ATOM 507 CB PHE 66 3.708 1.343 1.980 1.00 0.00 ATOM 508 CG PHE 66 2.402 1.128 1.266 1.00 0.00 ATOM 509 CD1 PHE 66 2.135 -0.090 0.641 1.00 0.00 ATOM 510 CD2 PHE 66 1.460 2.136 1.193 1.00 0.00 ATOM 511 CE1 PHE 66 0.956 -0.294 -0.041 1.00 0.00 ATOM 512 CE2 PHE 66 0.268 1.939 0.511 1.00 0.00 ATOM 513 CZ PHE 66 0.034 0.736 -0.106 1.00 0.00 ATOM 514 O PHE 66 5.420 1.404 4.475 1.00 0.00 ATOM 515 C PHE 66 5.290 0.388 3.781 1.00 0.00 ATOM 516 N LYS 67 6.213 -0.573 3.715 1.00 0.00 ATOM 517 CA LYS 67 7.423 -0.484 4.531 1.00 0.00 ATOM 518 CB LYS 67 8.031 -1.870 4.742 1.00 0.00 ATOM 519 CG LYS 67 7.144 -2.824 5.528 1.00 0.00 ATOM 520 CD LYS 67 7.814 -4.175 5.714 1.00 0.00 ATOM 521 CE LYS 67 6.926 -5.127 6.498 1.00 0.00 ATOM 522 NZ LYS 67 7.564 -6.462 6.675 1.00 0.00 ATOM 523 O LYS 67 9.383 -0.028 3.164 1.00 0.00 ATOM 524 C LYS 67 8.466 0.402 3.848 1.00 0.00 ATOM 525 N THR 68 8.266 1.680 4.123 1.00 0.00 ATOM 526 CA THR 68 9.129 2.715 3.569 1.00 0.00 ATOM 527 CB THR 68 8.476 4.107 3.665 1.00 0.00 ATOM 528 CG2 THR 68 7.162 4.132 2.900 1.00 0.00 ATOM 529 OG1 THR 68 8.219 4.424 5.039 1.00 0.00 ATOM 530 O THR 68 11.474 3.141 3.649 1.00 0.00 ATOM 531 C THR 68 10.465 2.802 4.290 1.00 0.00 ATOM 532 N GLY 69 10.507 2.555 5.598 1.00 0.00 ATOM 533 CA GLY 69 11.778 2.713 6.300 1.00 0.00 ATOM 534 O GLY 69 13.993 2.223 5.520 1.00 0.00 ATOM 535 C GLY 69 12.854 1.789 5.753 1.00 0.00 ATOM 536 N ASP 70 12.473 0.545 5.529 1.00 0.00 ATOM 537 CA ASP 70 13.437 -0.430 5.010 1.00 0.00 ATOM 538 CB ASP 70 12.788 -1.809 4.880 1.00 0.00 ATOM 539 CG ASP 70 12.541 -2.464 6.225 1.00 0.00 ATOM 540 OD1 ASP 70 12.153 -3.653 6.244 1.00 0.00 ATOM 541 OD2 ASP 70 12.736 -1.791 7.258 1.00 0.00 ATOM 542 O ASP 70 15.104 -0.132 3.286 1.00 0.00 ATOM 543 C ASP 70 13.931 0.004 3.642 1.00 0.00 ATOM 544 N TYR 71 13.019 0.491 2.820 1.00 0.00 ATOM 545 CA TYR 71 13.345 0.981 1.484 1.00 0.00 ATOM 546 CB TYR 71 12.050 1.314 0.723 1.00 0.00 ATOM 547 CG TYR 71 12.240 2.176 -0.515 1.00 0.00 ATOM 548 CD1 TYR 71 12.715 1.628 -1.715 1.00 0.00 ATOM 549 CD2 TYR 71 11.925 3.534 -0.496 1.00 0.00 ATOM 550 CE1 TYR 71 12.870 2.416 -2.861 1.00 0.00 ATOM 551 CE2 TYR 71 12.075 4.325 -1.639 1.00 0.00 ATOM 552 CZ TYR 71 12.548 3.757 -2.812 1.00 0.00 ATOM 553 OH TYR 71 12.687 4.533 -3.943 1.00 0.00 ATOM 554 O TYR 71 15.295 2.222 0.835 1.00 0.00 ATOM 555 C TYR 71 14.283 2.183 1.541 1.00 0.00 ATOM 556 N PHE 72 13.952 3.161 2.376 1.00 0.00 ATOM 557 CA PHE 72 14.786 4.360 2.512 1.00 0.00 ATOM 558 CB PHE 72 14.029 5.472 3.241 1.00 0.00 ATOM 559 CG PHE 72 12.978 6.128 2.400 1.00 0.00 ATOM 560 CD1 PHE 72 13.317 6.729 1.206 1.00 0.00 ATOM 561 CD2 PHE 72 11.645 6.103 2.784 1.00 0.00 ATOM 562 CE1 PHE 72 12.343 7.298 0.392 1.00 0.00 ATOM 563 CE2 PHE 72 10.664 6.666 1.981 1.00 0.00 ATOM 564 CZ PHE 72 11.016 7.263 0.780 1.00 0.00 ATOM 565 O PHE 72 17.139 4.679 2.851 1.00 0.00 ATOM 566 C PHE 72 16.120 4.060 3.177 1.00 0.00 ATOM 567 N LYS 73 16.114 3.093 4.099 1.00 0.00 ATOM 568 CA LYS 73 17.347 2.667 4.755 1.00 0.00 ATOM 569 CB LYS 73 17.068 1.650 5.863 1.00 0.00 ATOM 570 CG LYS 73 16.773 2.290 7.212 1.00 0.00 ATOM 571 CD LYS 73 16.825 1.252 8.312 1.00 0.00 ATOM 572 CE LYS 73 16.880 1.883 9.701 1.00 0.00 ATOM 573 NZ LYS 73 15.601 2.556 10.084 1.00 0.00 ATOM 574 O LYS 73 19.470 2.385 3.673 1.00 0.00 ATOM 575 C LYS 73 18.282 2.058 3.707 1.00 0.00 ATOM 576 N LYS 74 17.970 0.929 2.833 1.00 0.00 ATOM 577 CA LYS 74 18.795 0.181 1.880 1.00 0.00 ATOM 578 CB LYS 74 17.940 -0.829 1.111 1.00 0.00 ATOM 579 CG LYS 74 17.422 -1.977 1.960 1.00 0.00 ATOM 580 CD LYS 74 16.597 -2.949 1.132 1.00 0.00 ATOM 581 CE LYS 74 16.080 -4.097 1.982 1.00 0.00 ATOM 582 NZ LYS 74 15.257 -5.049 1.186 1.00 0.00 ATOM 583 O LYS 74 20.461 0.733 0.246 1.00 0.00 ATOM 584 C LYS 74 19.454 1.103 0.864 1.00 0.00 ATOM 585 N GLN 75 18.954 2.311 0.721 1.00 0.00 ATOM 586 CA GLN 75 19.517 3.312 -0.167 1.00 0.00 ATOM 587 CB GLN 75 18.381 3.569 -1.314 1.00 0.00 ATOM 588 CG GLN 75 17.799 2.316 -1.967 1.00 0.00 ATOM 589 CD GLN 75 16.918 2.753 -3.141 1.00 0.00 ATOM 590 OE1 GLN 75 17.423 3.530 -3.972 1.00 0.00 ATOM 591 NE2 GLN 75 15.684 2.266 -3.099 1.00 0.00 ATOM 592 O GLN 75 20.983 5.204 0.006 1.00 0.00 ATOM 593 C GLN 75 20.478 4.242 0.568 1.00 0.00 ATOM 594 N ASN 76 20.723 3.988 1.846 1.00 0.00 ATOM 595 CA ASN 76 21.634 4.761 2.658 1.00 0.00 ATOM 596 CB ASN 76 22.752 5.350 1.795 1.00 0.00 ATOM 597 CG ASN 76 23.571 4.283 1.094 1.00 0.00 ATOM 598 ND2 ASN 76 23.593 4.333 -0.233 1.00 0.00 ATOM 599 OD1 ASN 76 24.175 3.426 1.739 1.00 0.00 ATOM 600 O ASN 76 21.759 6.732 3.989 1.00 0.00 ATOM 601 C ASN 76 21.028 5.938 3.396 1.00 0.00 ATOM 602 N LEU 77 19.697 6.014 3.413 1.00 0.00 ATOM 603 CA LEU 77 19.019 7.144 4.040 1.00 0.00 ATOM 604 CB LEU 77 18.005 7.763 3.076 1.00 0.00 ATOM 605 CG LEU 77 18.576 8.377 1.795 1.00 0.00 ATOM 606 CD1 LEU 77 17.457 8.838 0.875 1.00 0.00 ATOM 607 CD2 LEU 77 19.451 9.578 2.121 1.00 0.00 ATOM 608 O LEU 77 17.615 5.671 5.284 1.00 0.00 ATOM 609 C LEU 77 18.273 6.714 5.291 1.00 0.00 ATOM 610 N GLU 78 18.379 7.510 6.339 1.00 0.00 ATOM 611 CA GLU 78 17.659 7.235 7.585 1.00 0.00 ATOM 612 CB GLU 78 18.547 7.531 8.795 1.00 0.00 ATOM 613 CG GLU 78 17.876 7.279 10.135 1.00 0.00 ATOM 614 CD GLU 78 18.802 7.534 11.309 1.00 0.00 ATOM 615 OE1 GLU 78 19.970 7.909 11.073 1.00 0.00 ATOM 616 OE2 GLU 78 18.360 7.359 12.463 1.00 0.00 ATOM 617 O GLU 78 16.564 9.376 7.709 1.00 0.00 ATOM 618 C GLU 78 16.457 8.166 7.530 1.00 0.00 ATOM 619 N SER 79 15.294 7.596 7.210 1.00 0.00 ATOM 620 CA SER 79 14.090 8.374 7.019 1.00 0.00 ATOM 621 CB SER 79 13.143 7.665 6.048 1.00 0.00 ATOM 622 OG SER 79 12.638 6.467 6.610 1.00 0.00 ATOM 623 O SER 79 13.632 8.043 9.359 1.00 0.00 ATOM 624 C SER 79 13.326 8.598 8.300 1.00 0.00 ATOM 625 N PHE 80 12.321 9.448 8.177 1.00 0.00 ATOM 626 CA PHE 80 11.532 9.782 9.354 1.00 0.00 ATOM 627 CB PHE 80 10.742 11.071 9.121 1.00 0.00 ATOM 628 CG PHE 80 9.904 11.489 10.296 1.00 0.00 ATOM 629 CD1 PHE 80 10.483 12.109 11.391 1.00 0.00 ATOM 630 CD2 PHE 80 8.540 11.264 10.305 1.00 0.00 ATOM 631 CE1 PHE 80 9.714 12.493 12.471 1.00 0.00 ATOM 632 CE2 PHE 80 7.769 11.651 11.387 1.00 0.00 ATOM 633 CZ PHE 80 8.350 12.262 12.467 1.00 0.00 ATOM 634 O PHE 80 10.374 8.367 10.921 1.00 0.00 ATOM 635 C PHE 80 10.518 8.718 9.749 1.00 0.00 ATOM 636 N PHE 81 9.727 8.274 8.781 1.00 0.00 ATOM 637 CA PHE 81 8.625 7.381 9.102 1.00 0.00 ATOM 638 CB PHE 81 7.544 7.454 8.021 1.00 0.00 ATOM 639 CG PHE 81 6.759 8.734 8.035 1.00 0.00 ATOM 640 CD1 PHE 81 7.076 9.767 7.170 1.00 0.00 ATOM 641 CD2 PHE 81 5.702 8.906 8.915 1.00 0.00 ATOM 642 CE1 PHE 81 6.352 10.945 7.184 1.00 0.00 ATOM 643 CE2 PHE 81 4.979 10.083 8.928 1.00 0.00 ATOM 644 CZ PHE 81 5.300 11.101 8.068 1.00 0.00 ATOM 645 O PHE 81 9.877 5.423 8.529 1.00 0.00 ATOM 646 C PHE 81 8.987 5.922 9.223 1.00 0.00 ATOM 647 N PRO 82 8.228 5.173 10.034 1.00 0.00 ATOM 648 CA PRO 82 8.418 3.732 10.111 1.00 0.00 ATOM 649 CB PRO 82 7.665 3.331 11.366 1.00 0.00 ATOM 650 CG PRO 82 7.710 4.533 12.225 1.00 0.00 ATOM 651 CD PRO 82 7.695 5.722 11.318 1.00 0.00 ATOM 652 O PRO 82 8.393 2.085 8.342 1.00 0.00 ATOM 653 C PRO 82 7.861 3.050 8.865 1.00 0.00 ATOM 654 N GLU 83 6.734 3.551 8.410 1.00 0.00 ATOM 655 CA GLU 83 6.017 3.062 7.248 1.00 0.00 ATOM 656 CB GLU 83 5.160 1.849 7.540 1.00 0.00 ATOM 657 CG GLU 83 4.281 1.855 8.768 1.00 0.00 ATOM 658 CD GLU 83 3.773 0.464 9.184 1.00 0.00 ATOM 659 OE1 GLU 83 4.116 0.182 10.366 1.00 0.00 ATOM 660 OE2 GLU 83 3.107 -0.276 8.451 1.00 0.00 ATOM 661 O GLU 83 4.870 5.154 7.492 1.00 0.00 ATOM 662 C GLU 83 5.003 4.118 6.851 1.00 0.00 ATOM 663 N ILE 84 4.339 3.881 5.728 1.00 0.00 ATOM 664 CA ILE 84 3.226 4.720 5.294 1.00 0.00 ATOM 665 CB ILE 84 2.886 4.380 3.851 1.00 0.00 ATOM 666 CG1 ILE 84 3.972 4.882 2.920 1.00 0.00 ATOM 667 CG2 ILE 84 1.548 5.084 3.569 1.00 0.00 ATOM 668 CD1 ILE 84 4.005 4.212 1.555 1.00 0.00 ATOM 669 O ILE 84 1.698 2.985 6.022 1.00 0.00 ATOM 670 C ILE 84 1.975 4.192 6.034 1.00 0.00 ATOM 671 N PRO 85 1.236 5.077 6.734 1.00 0.00 ATOM 672 CA PRO 85 0.051 4.628 7.476 1.00 0.00 ATOM 673 CB PRO 85 -0.307 5.844 8.318 1.00 0.00 ATOM 674 CG PRO 85 0.077 6.987 7.393 1.00 0.00 ATOM 675 CD PRO 85 1.412 6.535 6.848 1.00 0.00 ATOM 676 O PRO 85 -1.310 4.446 5.500 1.00 0.00 ATOM 677 C PRO 85 -1.145 4.133 6.681 1.00 0.00 ATOM 678 N VAL 86 -1.968 3.344 7.366 1.00 0.00 ATOM 679 CA VAL 86 -3.187 2.772 6.818 1.00 0.00 ATOM 680 CB VAL 86 -3.324 1.275 7.182 1.00 0.00 ATOM 681 CG1 VAL 86 -3.480 1.116 8.687 1.00 0.00 ATOM 682 CG2 VAL 86 -4.510 0.668 6.443 1.00 0.00 ATOM 683 O VAL 86 -4.292 3.970 8.540 1.00 0.00 ATOM 684 C VAL 86 -4.326 3.609 7.377 1.00 0.00 ATOM 685 N GLU 87 -5.304 3.953 6.546 1.00 0.00 ATOM 686 CA GLU 87 -6.456 4.709 7.020 1.00 0.00 ATOM 687 CB GLU 87 -6.918 5.711 5.935 1.00 0.00 ATOM 688 CG GLU 87 -5.924 6.791 5.555 1.00 0.00 ATOM 689 CD GLU 87 -6.197 8.148 6.159 1.00 0.00 ATOM 690 OE1 GLU 87 -6.841 8.225 7.226 1.00 0.00 ATOM 691 OE2 GLU 87 -5.761 9.162 5.557 1.00 0.00 ATOM 692 O GLU 87 -7.918 2.829 6.761 1.00 0.00 ATOM 693 C GLU 87 -7.490 3.695 7.511 1.00 0.00 ATOM 694 N PHE 88 -8.847 3.179 6.431 1.00 0.00 ATOM 695 CA PHE 88 -10.139 3.736 6.021 1.00 0.00 ATOM 696 CB PHE 88 -10.120 4.135 4.511 1.00 0.00 ATOM 697 CG PHE 88 -9.870 2.962 3.581 1.00 0.00 ATOM 698 CD1 PHE 88 -10.906 2.384 2.877 1.00 0.00 ATOM 699 CD2 PHE 88 -8.613 2.398 3.425 1.00 0.00 ATOM 700 CE1 PHE 88 -10.710 1.268 2.039 1.00 0.00 ATOM 701 CE2 PHE 88 -8.359 1.306 2.613 1.00 0.00 ATOM 702 CZ PHE 88 -9.432 0.752 1.919 1.00 0.00 ATOM 703 O PHE 88 -11.050 1.499 6.137 1.00 0.00 ATOM 704 C PHE 88 -11.280 2.710 6.104 1.00 0.00 ATOM 705 N HIS 89 -12.510 3.204 6.158 1.00 0.00 ATOM 706 CA HIS 89 -13.660 2.323 6.147 1.00 0.00 ATOM 707 CB HIS 89 -14.806 2.929 6.961 1.00 0.00 ATOM 708 CG HIS 89 -14.511 3.047 8.425 1.00 0.00 ATOM 709 CD2 HIS 89 -14.545 2.145 9.566 1.00 0.00 ATOM 710 ND1 HIS 89 -14.091 4.224 9.007 1.00 0.00 ATOM 711 CE1 HIS 89 -13.908 4.019 10.324 1.00 0.00 ATOM 712 NE2 HIS 89 -14.178 2.775 10.666 1.00 0.00 ATOM 713 O HIS 89 -13.954 3.173 3.937 1.00 0.00 ATOM 714 C HIS 89 -14.024 2.202 4.688 1.00 0.00 ATOM 715 N ILE 90 -14.339 1.008 4.242 1.00 0.00 ATOM 716 CA ILE 90 -14.701 0.772 2.849 1.00 0.00 ATOM 717 CB ILE 90 -13.510 0.084 2.036 1.00 0.00 ATOM 718 CG1 ILE 90 -13.279 -1.340 2.643 1.00 0.00 ATOM 719 CG2 ILE 90 -12.206 0.920 2.005 1.00 0.00 ATOM 720 CD1 ILE 90 -12.450 -2.257 1.686 1.00 0.00 ATOM 721 O ILE 90 -16.429 -0.801 3.335 1.00 0.00 ATOM 722 C ILE 90 -16.126 0.237 2.751 1.00 0.00 ATOM 723 N ASN 91 -17.004 0.955 2.053 1.00 0.00 ATOM 724 CA ASN 91 -18.410 0.580 1.968 1.00 0.00 ATOM 725 CB ASN 91 -19.293 1.666 2.586 1.00 0.00 ATOM 726 CG ASN 91 -19.071 1.817 4.079 1.00 0.00 ATOM 727 ND2 ASN 91 -18.552 2.971 4.484 1.00 0.00 ATOM 728 OD1 ASN 91 -19.364 0.908 4.855 1.00 0.00 ATOM 729 O ASN 91 -18.515 1.128 -0.353 1.00 0.00 ATOM 730 C ASN 91 -18.896 0.375 0.541 1.00 0.00 ATOM 731 N LYS 92 -19.751 -0.614 0.315 1.00 0.00 ATOM 732 CA LYS 92 -20.326 -0.917 -0.984 1.00 0.00 ATOM 733 CB LYS 92 -21.478 0.041 -1.296 1.00 0.00 ATOM 734 CG LYS 92 -22.650 -0.061 -0.333 1.00 0.00 ATOM 735 CD LYS 92 -23.759 0.906 -0.709 1.00 0.00 ATOM 736 CE LYS 92 -24.931 0.804 0.255 1.00 0.00 ATOM 737 NZ LYS 92 -26.021 1.755 -0.095 1.00 0.00 ATOM 738 O LYS 92 -19.721 -0.290 -3.220 1.00 0.00 ATOM 739 C LYS 92 -19.369 -0.812 -2.157 1.00 0.00 ATOM 740 N VAL 93 -18.165 -1.366 -2.010 1.00 0.00 ATOM 741 CA VAL 93 -17.140 -1.222 -3.040 1.00 0.00 ATOM 742 CB VAL 93 -15.705 -0.953 -2.347 1.00 0.00 ATOM 743 CG1 VAL 93 -15.754 0.180 -1.326 1.00 0.00 ATOM 744 CG2 VAL 93 -15.248 -2.272 -1.694 1.00 0.00 ATOM 745 O VAL 93 -17.214 -3.377 -4.108 1.00 0.00 ATOM 746 C VAL 93 -17.300 -2.155 -4.237 1.00 0.00 ATOM 747 N ASN 94 -17.522 -1.575 -5.389 1.00 0.00 ATOM 748 CA ASN 94 -17.686 -2.303 -6.676 1.00 0.00 ATOM 749 CB ASN 94 -18.489 -1.455 -7.596 1.00 0.00 ATOM 750 CG ASN 94 -19.934 -1.667 -7.200 1.00 0.00 ATOM 751 ND2 ASN 94 -20.351 -2.925 -7.133 1.00 0.00 ATOM 752 OD1 ASN 94 -20.663 -0.708 -6.935 1.00 0.00 ATOM 753 O ASN 94 -15.861 -1.512 -8.139 1.00 0.00 ATOM 754 C ASN 94 -16.269 -2.311 -7.360 1.00 0.00 ATOM 755 N GLU 95 -15.415 -2.103 -6.043 1.00 0.00 ATOM 756 CA GLU 95 -14.699 -1.054 -6.749 1.00 0.00 ATOM 757 CB GLU 95 -14.553 0.178 -5.889 1.00 0.00 ATOM 758 CG GLU 95 -15.804 1.043 -5.905 1.00 0.00 ATOM 759 CD GLU 95 -15.669 2.296 -5.055 1.00 0.00 ATOM 760 OE1 GLU 95 -14.710 3.075 -5.273 1.00 0.00 ATOM 761 OE2 GLU 95 -16.531 2.502 -4.170 1.00 0.00 ATOM 762 O GLU 95 -12.841 -2.524 -6.334 1.00 0.00 ATOM 763 C GLU 95 -13.262 -1.552 -6.964 1.00 0.00 ATOM 764 N HIS 96 -12.569 -0.866 -7.856 1.00 0.00 ATOM 765 CA HIS 96 -11.156 -1.145 -8.102 1.00 0.00 ATOM 766 CB HIS 96 -10.995 -1.727 -9.538 1.00 0.00 ATOM 767 CG HIS 96 -11.519 -0.812 -10.608 1.00 0.00 ATOM 768 CD2 HIS 96 -12.712 -0.775 -11.245 1.00 0.00 ATOM 769 ND1 HIS 96 -10.769 0.219 -11.140 1.00 0.00 ATOM 770 CE1 HIS 96 -11.478 0.848 -12.058 1.00 0.00 ATOM 771 NE2 HIS 96 -12.660 0.265 -12.143 1.00 0.00 ATOM 772 O HIS 96 -10.703 1.187 -7.679 1.00 0.00 ATOM 773 C HIS 96 -10.387 0.021 -7.464 1.00 0.00 ATOM 774 N TYR 97 -9.437 -0.330 -6.622 1.00 0.00 ATOM 775 CA TYR 97 -8.665 0.650 -5.881 1.00 0.00 ATOM 776 CB TYR 97 -8.789 0.400 -4.375 1.00 0.00 ATOM 777 CG TYR 97 -10.187 0.591 -3.835 1.00 0.00 ATOM 778 CD1 TYR 97 -11.029 -0.496 -3.637 1.00 0.00 ATOM 779 CD2 TYR 97 -10.662 1.860 -3.526 1.00 0.00 ATOM 780 CE1 TYR 97 -12.310 -0.329 -3.144 1.00 0.00 ATOM 781 CE2 TYR 97 -11.939 2.044 -3.032 1.00 0.00 ATOM 782 CZ TYR 97 -12.764 0.936 -2.842 1.00 0.00 ATOM 783 OH TYR 97 -14.038 1.103 -2.351 1.00 0.00 ATOM 784 O TYR 97 -6.558 -0.454 -6.192 1.00 0.00 ATOM 785 C TYR 97 -7.186 0.602 -6.234 1.00 0.00 ATOM 786 N HIS 98 -6.651 1.776 -6.560 1.00 0.00 ATOM 787 CA HIS 98 -5.212 1.902 -6.735 1.00 0.00 ATOM 788 CB HIS 98 -4.943 2.483 -8.153 1.00 0.00 ATOM 789 CG HIS 98 -3.485 2.688 -8.436 1.00 0.00 ATOM 790 CD2 HIS 98 -2.382 2.286 -7.762 1.00 0.00 ATOM 791 ND1 HIS 98 -3.028 3.401 -9.528 1.00 0.00 ATOM 792 CE1 HIS 98 -1.705 3.427 -9.511 1.00 0.00 ATOM 793 NE2 HIS 98 -1.289 2.758 -8.448 1.00 0.00 ATOM 794 O HIS 98 -5.192 4.026 -5.646 1.00 0.00 ATOM 795 C HIS 98 -4.740 2.884 -5.688 1.00 0.00 ATOM 796 N VAL 99 -3.839 2.422 -4.833 1.00 0.00 ATOM 797 CA VAL 99 -3.286 3.259 -3.776 1.00 0.00 ATOM 798 CB VAL 99 -2.906 2.395 -2.577 1.00 0.00 ATOM 799 CG1 VAL 99 -2.318 3.281 -1.468 1.00 0.00 ATOM 800 CG2 VAL 99 -4.146 1.653 -2.103 1.00 0.00 ATOM 801 O VAL 99 -1.013 3.087 -4.483 1.00 0.00 ATOM 802 C VAL 99 -1.994 3.823 -4.313 1.00 0.00 ATOM 803 N PRO 100 -1.995 5.120 -4.578 1.00 0.00 ATOM 804 CA PRO 100 -0.826 5.820 -5.110 1.00 0.00 ATOM 805 CB PRO 100 -1.404 6.560 -6.319 1.00 0.00 ATOM 806 CG PRO 100 -2.738 6.994 -5.819 1.00 0.00 ATOM 807 CD PRO 100 -3.252 5.725 -5.046 1.00 0.00 ATOM 808 O PRO 100 -0.661 7.383 -3.295 1.00 0.00 ATOM 809 C PRO 100 -0.105 6.497 -3.939 1.00 0.00 ATOM 810 N LEU 101 1.111 6.063 -3.637 1.00 0.00 ATOM 811 CA LEU 101 1.847 6.667 -2.542 1.00 0.00 ATOM 812 CB LEU 101 2.169 5.710 -1.367 1.00 0.00 ATOM 813 CG LEU 101 1.005 5.170 -0.535 1.00 0.00 ATOM 814 CD1 LEU 101 1.589 4.477 0.702 1.00 0.00 ATOM 815 CD2 LEU 101 0.076 6.375 -0.092 1.00 0.00 ATOM 816 O LEU 101 3.851 6.665 -3.843 1.00 0.00 ATOM 817 C LEU 101 3.116 7.299 -3.080 1.00 0.00 ATOM 818 N LEU 102 3.352 8.549 -2.693 1.00 0.00 ATOM 819 CA LEU 102 4.560 9.267 -3.084 1.00 0.00 ATOM 820 CB LEU 102 4.213 10.645 -3.606 1.00 0.00 ATOM 821 CG LEU 102 3.362 10.631 -4.863 1.00 0.00 ATOM 822 CD1 LEU 102 2.872 12.047 -5.133 1.00 0.00 ATOM 823 CD2 LEU 102 4.146 10.089 -6.028 1.00 0.00 ATOM 824 O LEU 102 4.825 9.765 -0.744 1.00 0.00 ATOM 825 C LEU 102 5.369 9.361 -1.789 1.00 0.00 ATOM 826 N LEU 103 6.657 9.016 -1.850 1.00 0.00 ATOM 827 CA LEU 103 7.484 9.011 -0.640 1.00 0.00 ATOM 828 CB LEU 103 7.988 7.593 -0.343 1.00 0.00 ATOM 829 CG LEU 103 7.067 6.371 -0.442 1.00 0.00 ATOM 830 CD1 LEU 103 7.934 5.098 -0.269 1.00 0.00 ATOM 831 CD2 LEU 103 5.976 6.439 0.627 1.00 0.00 ATOM 832 O LEU 103 9.384 10.122 -1.630 1.00 0.00 ATOM 833 C LEU 103 8.707 9.915 -0.615 1.00 0.00 ATOM 834 N SER 104 8.985 10.418 0.584 1.00 0.00 ATOM 835 CA SER 104 10.152 11.239 0.872 1.00 0.00 ATOM 836 CB SER 104 9.837 12.734 0.819 1.00 0.00 ATOM 837 OG SER 104 9.488 13.098 -0.487 1.00 0.00 ATOM 838 O SER 104 9.676 10.317 3.044 1.00 0.00 ATOM 839 C SER 104 10.509 10.848 2.299 1.00 0.00 ATOM 840 N GLN 105 11.747 11.107 2.707 1.00 0.00 ATOM 841 CA GLN 105 12.152 10.746 4.068 1.00 0.00 ATOM 842 CB GLN 105 13.624 11.219 4.260 1.00 0.00 ATOM 843 CG GLN 105 14.675 10.248 3.882 1.00 0.00 ATOM 844 CD GLN 105 16.029 10.830 4.111 1.00 0.00 ATOM 845 OE1 GLN 105 16.889 10.211 4.735 1.00 0.00 ATOM 846 NE2 GLN 105 16.226 12.051 3.633 1.00 0.00 ATOM 847 O GLN 105 11.068 10.768 6.214 1.00 0.00 ATOM 848 C GLN 105 11.321 11.388 5.178 1.00 0.00 ATOM 849 N TYR 106 10.911 12.633 4.959 1.00 0.00 ATOM 850 CA TYR 106 10.130 13.349 5.955 1.00 0.00 ATOM 851 CB TYR 106 10.839 14.648 6.352 1.00 0.00 ATOM 852 CG TYR 106 12.085 14.355 7.148 1.00 0.00 ATOM 853 CD1 TYR 106 13.273 13.998 6.513 1.00 0.00 ATOM 854 CD2 TYR 106 12.041 14.299 8.545 1.00 0.00 ATOM 855 CE1 TYR 106 14.378 13.572 7.250 1.00 0.00 ATOM 856 CE2 TYR 106 13.131 13.883 9.280 1.00 0.00 ATOM 857 CZ TYR 106 14.290 13.515 8.631 1.00 0.00 ATOM 858 OH TYR 106 15.356 13.068 9.373 1.00 0.00 ATOM 859 O TYR 106 8.027 14.466 6.163 1.00 0.00 ATOM 860 C TYR 106 8.701 13.631 5.550 1.00 0.00 ATOM 861 N GLY 107 8.215 12.940 4.525 1.00 0.00 ATOM 862 CA GLY 107 6.824 13.148 4.139 1.00 0.00 ATOM 863 O GLY 107 7.092 11.577 2.356 1.00 0.00 ATOM 864 C GLY 107 6.313 12.149 3.120 1.00 0.00 ATOM 865 N TYR 108 4.999 11.933 3.121 1.00 0.00 ATOM 866 CA TYR 108 4.394 11.027 2.164 1.00 0.00 ATOM 867 CB TYR 108 4.535 9.643 2.727 1.00 0.00 ATOM 868 CG TYR 108 3.897 9.358 4.036 1.00 0.00 ATOM 869 CD1 TYR 108 2.542 9.134 4.138 1.00 0.00 ATOM 870 CD2 TYR 108 4.685 9.363 5.185 1.00 0.00 ATOM 871 CE1 TYR 108 1.967 8.895 5.365 1.00 0.00 ATOM 872 CE2 TYR 108 4.117 9.130 6.419 1.00 0.00 ATOM 873 CZ TYR 108 2.758 8.895 6.497 1.00 0.00 ATOM 874 OH TYR 108 2.165 8.641 7.720 1.00 0.00 ATOM 875 O TYR 108 2.334 12.158 2.709 1.00 0.00 ATOM 876 C TYR 108 2.949 11.416 1.916 1.00 0.00 ATOM 877 N SER 109 2.418 10.977 0.802 1.00 0.00 ATOM 878 CA SER 109 1.061 11.212 0.410 1.00 0.00 ATOM 879 CB SER 109 0.952 11.580 -1.048 1.00 0.00 ATOM 880 OG SER 109 1.673 12.801 -1.305 1.00 0.00 ATOM 881 O SER 109 0.701 8.887 0.571 1.00 0.00 ATOM 882 C SER 109 0.243 9.987 0.752 1.00 0.00 ATOM 883 N THR 110 -0.977 10.213 1.213 1.00 0.00 ATOM 884 CA THR 110 -1.806 9.168 1.746 1.00 0.00 ATOM 885 CB THR 110 -2.057 9.369 3.245 1.00 0.00 ATOM 886 CG2 THR 110 -3.001 8.326 3.872 1.00 0.00 ATOM 887 OG1 THR 110 -0.788 9.319 3.964 1.00 0.00 ATOM 888 O THR 110 -3.729 10.350 0.917 1.00 0.00 ATOM 889 C THR 110 -3.193 9.259 1.148 1.00 0.00 ATOM 890 N TYR 111 -3.812 8.089 0.937 1.00 0.00 ATOM 891 CA TYR 111 -5.106 7.951 0.305 1.00 0.00 ATOM 892 CB TYR 111 -4.946 7.761 -1.256 1.00 0.00 ATOM 893 CG TYR 111 -4.293 8.905 -1.995 1.00 0.00 ATOM 894 CD1 TYR 111 -5.056 9.954 -2.497 1.00 0.00 ATOM 895 CD2 TYR 111 -2.920 8.950 -2.150 1.00 0.00 ATOM 896 CE1 TYR 111 -4.444 11.030 -3.153 1.00 0.00 ATOM 897 CE2 TYR 111 -2.294 10.022 -2.806 1.00 0.00 ATOM 898 CZ TYR 111 -3.071 11.049 -3.306 1.00 0.00 ATOM 899 OH TYR 111 -2.455 12.070 -4.015 1.00 0.00 ATOM 900 O TYR 111 -5.885 5.848 1.111 1.00 0.00 ATOM 901 C TYR 111 -5.986 7.064 1.145 1.00 0.00 ATOM 902 N ARG 112 -6.828 7.672 1.985 1.00 0.00 ATOM 903 CA ARG 112 -7.786 6.882 2.756 1.00 0.00 ATOM 904 CB ARG 112 -8.939 8.022 3.264 1.00 0.00 ATOM 905 CG ARG 112 -9.654 7.905 4.610 1.00 0.00 ATOM 906 CD ARG 112 -10.532 9.133 4.814 1.00 0.00 ATOM 907 NE ARG 112 -11.477 9.330 3.741 1.00 0.00 ATOM 908 CZ ARG 112 -12.657 8.708 3.635 1.00 0.00 ATOM 909 NH1 ARG 112 -13.067 7.802 4.527 1.00 0.00 ATOM 910 NH2 ARG 112 -13.494 9.013 2.639 1.00 0.00 ATOM 911 O ARG 112 -9.217 5.028 2.144 1.00 0.00 ATOM 912 C ARG 112 -8.771 6.142 1.848 1.00 0.00 ATOM 913 N GLY 113 -9.069 6.740 0.706 1.00 0.00 ATOM 914 CA GLY 113 -10.000 6.133 -0.231 1.00 0.00 ATOM 915 O GLY 113 -10.390 3.968 -1.160 1.00 0.00 ATOM 916 C GLY 113 -9.557 4.805 -0.816 1.00 0.00 ATOM 917 N SER 114 -8.251 4.614 -0.961 1.00 0.00 ATOM 918 CA SER 114 -7.727 3.369 -1.509 1.00 0.00 ATOM 919 CB SER 114 -6.492 3.651 -2.374 1.00 0.00 ATOM 920 OG SER 114 -6.811 4.465 -3.497 1.00 0.00 ATOM 921 O SER 114 -7.385 1.133 -0.860 1.00 0.00 ATOM 922 C SER 114 -7.400 2.314 -0.467 1.00 0.00 TER END ################################ # # # END # # # ################################