From 0af88b14e076b72200b297c43d7cb1875786fe7f Mon Sep 17 00:00:00 2001 From: "W. Trevor King" Date: Mon, 20 May 2013 09:38:24 -0400 Subject: [PATCH] media/src/pymol: Add PyMol scripts for I27 images 1TIT.pdb is from the PDB. 1TIT.pml is from my thesis. The 1TIT-atoms.pml and 1TIT-hbonds.pml variants are adapted from 1TIT.pml. --- media/src/pymol/.gitignore | 1 + media/src/pymol/1TIT-atoms.pml | 72 ++ media/src/pymol/1TIT-hbond.pml | 131 +++ media/src/pymol/1TIT.pdb | 1562 ++++++++++++++++++++++++++++++++ media/src/pymol/1TIT.pml | 31 + 5 files changed, 1797 insertions(+) create mode 100644 media/src/pymol/.gitignore create mode 100644 media/src/pymol/1TIT-atoms.pml create mode 100644 media/src/pymol/1TIT-hbond.pml create mode 100644 media/src/pymol/1TIT.pdb create mode 100644 media/src/pymol/1TIT.pml diff --git a/media/src/pymol/.gitignore b/media/src/pymol/.gitignore new file mode 100644 index 0000000..e33609d --- /dev/null +++ b/media/src/pymol/.gitignore @@ -0,0 +1 @@ +*.png diff --git a/media/src/pymol/1TIT-atoms.pml b/media/src/pymol/1TIT-atoms.pml new file mode 100644 index 0000000..731a704 --- /dev/null +++ b/media/src/pymol/1TIT-atoms.pml @@ -0,0 +1,72 @@ +# Make movie frames for a rotating I27 + +load 1TIT.pdb + +# opaque white background with lots of fog +set ray_opaque_background, on +set transparency, 0 +bg_color white +set depth_cue, 1 +set ray_trace_fog, 1 +set fog_start, 0 +set fog, -1000 + +# max performance (slower) +util.performance(0) +# printable CMYK colors +cmd.space('cmyk') + +# ball and stick display style +set_bond stick_color, white, (all), (all) +set_bond stick_radius, 0.14, (all), (all) +set sphere_scale, 0.25, (all) + +# Protein backbone +select backbone, name C+O+N+CA +# C-terminus +select c_term, resi 89 + +# don't show anything except the backbone +hide everything, all +show sticks, backbone +show spheres, backbone + +# Color the C-terminus +color cyan, c_term + +# zoom so molecule fills window +set_view (\ + 1.000000000, 0.000000000, 0.000000000,\ + 0.000000000, -1.000000000, 0.000000000,\ + 0.000000000, 0.000000000, -1.000000000,\ + 0.000000000, 0.000000000, -80.905616760,\ + 0.043053962, 0.000000000, 4.578000069,\ + 60.000000000, 100.000000000, 24.500000000 ) +# view matrix (from pymol.viewing.get_view) +# 3x3 matrix rotating model space to camera space +# 1x3 origin of rotation relative to camera in camera space +# 1x3 origin of rotation relative to camera in model space +# 1x1 front plane distance from the camera +# 1x1 rear plane distance from the camera +# 1x1 orthoscopic flag (+/-) and field of view (if abs(value) > 1) +# The camera always looks down -Z with its +X left and its +Y down. +# Therefore, in the default view, model +X is to the observer's +# right, +Y is upward, and +Z points toward the observer. +# +# To zoom, tweak the field-of-view setting, decreasing to zoom in. + +# put a light behind the camera +set light, [ -0.55, -0.70, 0.15 ] + +# avoid 'Missing rendered image' +set ray_trace_frames=1 + +viewport 640,480 +#viewport 320,240 + +# make the movie 360 frames long +mset 1 x360 +# full rotation over 360 frames +util.mroll(1, 360, 1) +mpng 1TIT-atoms- +quit diff --git a/media/src/pymol/1TIT-hbond.pml b/media/src/pymol/1TIT-hbond.pml new file mode 100644 index 0000000..6771d05 --- /dev/null +++ b/media/src/pymol/1TIT-hbond.pml @@ -0,0 +1,131 @@ +load 1TIT.pdb + +# opaque white background with lots of fog +set ray_opaque_background, on +set transparency, 0 +bg_color white +set depth_cue, 1 +set ray_trace_fog, 1 +set fog_start, 0 +set fog, -1000 + +# max performance (slower) +util.performance(0) +# printable CMYK colors +cmd.space('cmyk') + +# ball and stick display style +#set_bond stick_color, white, (all), (all) +#set_bond stick_radius, 0.14, (all), (all) +#set sphere_scale, 0.25, (all) + +# stick-only display style +set_bond stick_radius, 0.2, (all), (all) +# but still use sphere for backbone-bound hydrogens +set sphere_scale, 0.25, (all) + +# add hydrogens to protein +h_add (all) + +# Setup selection groups + +select backbone, name C+O+N+CA +select backbone_h, (elem H and neighbor name N) + +# N-terminus +select n_term, resi 1 +# C-terminus +select c_term, resi 89 + +# sheet A +select sheet_a, resi 3-6 +# sheet A' +select sheet_ap, resi 9-15 +# sheet B (last few residues) +select sheet_b, resi 24-26 +# sheet G (last few residues) +select sheet_g, resi 83-87 +# tip and tail +select early, resi 1-29 +select late, resi 80-89 + +# anything in the interesting chains +select front, (sheet_a or sheet_ap or sheet_b or sheet_g) +select interesting, (front or late or early) + +# Ca-sensitive residues +select ca_res, resn asp+glu +select hot, (ca_res and front) + +# don't show anything except the backbone +hide everything, all +#show sticks, backbone +#show spheres, backbone + +# draw hydrogen bonds +#dist hbond, front, all, mode=2 +#dist hbond, all, front, mode=2 +#dist hbond, all, all, mode=2 +#dist hbond, front, front, mode=2 +# manually match lu00 +distance hbond_a, (resi 3 and name O), (resi 26 and backbone_h), mode=0 +distance hbond_b, (resi 6 and backbone_h), (resi 24 and name O), mode=0 +distance hbond_c, (resi 6 and name O), (resi 24 and backbone_h), mode=0 +distance hbond_d, (resi 9 and name O), (resi 83 and backbone_h), mode=0 +distance hbond_e, (resi 11 and backbone_h), (resi 83 and name O), mode=0 +distance hbond_f, (resi 13 and backbone_h), (resi 85 and name O), mode=0 +distance hbond_g, (resi 13 and name O), (resi 87 and backbone_h), mode=0 +distance hbond_h, (resi 15 and backbone_h), (resi 87 and name O), mode=0 +# but don't label the distances +hide labels + +# decorate selections +show sticks, backbone +set_bond stick_radius, 0.05, (all), (all) +set_bond stick_radius, 0.2, (interesting), (interesting) +#show spheres, (backbone and interesting) +show spheres, (front and backbone_h) +color white, all +color lightblue, early +color lightpink, late +color brown, n_term +color cyan, c_term +color br0, sheet_a +color br2, sheet_ap +color br4, sheet_b +color br6, sheet_g +color red, (hot and resn asp) +color green, (hot and resn glu) +color yellow, hbond_a +color yellow, hbond_b +color yellow, hbond_c +color yellow, hbond_d +color yellow, hbond_e +color yellow, hbond_f +color yellow, hbond_g +color yellow, hbond_h + +# zoom so molecule fills window +set_view (\ + 1.000000000, 0.000000000, 0.000000000,\ + 0.000000000, 0.087155743, 0.996194698,\ + 0.000000000, -0.996194698, -0.087155743,\ + 0.000000000, -5.000000000, -40.000000000,\ + 0.043053962, 0.000000000, 4.578000069,\ + 20.000000000, 60.000000000, 45.000000000 ) +# view matrix (from pymol.viewing.get_view) +# 3x3 matrix rotating model space to camera space +# 1x3 origin of rotation relative to camera in camera space +# 1x3 origin of rotation relative to camera in model space +# 1x1 front plane distance from the camera +# 1x1 rear plane distance from the camera +# 1x1 orthoscopic flag (+/-) and field of view (if abs(value) > 1) +# The camera always looks down -Z with its +X left and its +Y down. +# Therefore, in the default view, model +X is to the observer\'s +# right, +Y is upward, and +Z points toward the observer. +# +# To zoom, tweak the field-of-view setting, decreasing to zoom in. + +# render with 640 pixel width +png 1TIT-hbond.png, width=640 +quit diff --git a/media/src/pymol/1TIT.pdb b/media/src/pymol/1TIT.pdb new file mode 100644 index 0000000..892af6b --- /dev/null +++ b/media/src/pymol/1TIT.pdb @@ -0,0 +1,1562 @@ +HEADER IMMUNOGLOBULIN-LIKE DOMAIN 02-FEB-96 1TIT +TITLE TITIN, IG REPEAT 27, NMR, MINIMIZED AVERAGE STRUCTURE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TITIN, I27; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: CONNECTIN I27, TITIN IG REPEAT 27; +COMPND 5 ENGINEERED: YES; +COMPND 6 OTHER_DETAILS: SOLUTION STRUCTURE, T=308K, PH 4.5, 10MM +COMPND 7 ACETATE BUFFER +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 CELL_LINE: 293; +SOURCE 6 ORGAN: HEART; +SOURCE 7 TISSUE: MUSCLE; +SOURCE 8 ORGANELLE: SARCOMERE; +SOURCE 9 GENE: TITIN GENE; +SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; +SOURCE 11 EXPRESSION_SYSTEM_TAXID: 511693; +SOURCE 12 EXPRESSION_SYSTEM_STRAIN: BL21; +SOURCE 13 EXPRESSION_SYSTEM_PLASMID: PET8C; +SOURCE 14 EXPRESSION_SYSTEM_GENE: TITIN GENE +KEYWDS MUSCLE PROTEIN, IMMUNOGLOBULIN-LIKE DOMAIN +EXPDTA SOLUTION NMR +AUTHOR S.IMPROTA,A.S.POLITOU,A.PASTORE +REVDAT 2 24-FEB-09 1TIT 1 VERSN +REVDAT 1 11-JUL-96 1TIT 0 +JRNL AUTH S.IMPROTA,A.S.POLITOU,A.PASTORE +JRNL TITL IMMUNOGLOBULIN-LIKE MODULES FROM TITIN I-BAND: +JRNL TITL 2 EXTENSIBLE COMPONENTS OF MUSCLE ELASTICITY. +JRNL REF STRUCTURE V. 4 323 1996 +JRNL REFN ISSN 0969-2126 +JRNL PMID 8805538 +JRNL DOI 10.1016/S0969-2126(96)00036-6 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH M.PFUHL,A.PASTORE +REMARK 1 TITL TERTIARY STRUCTURE OF AN IMMUNOGLOBULIN-LIKE +REMARK 1 TITL 2 DOMAIN FROM THE GIANT MUSCLE PROTEIN TITIN: A NEW +REMARK 1 TITL 3 MEMBER OF THE I SET +REMARK 1 REF STRUCTURE V. 3 391 1995 +REMARK 1 REFN ISSN 0969-2126 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH S.LABEIT,B.KOLMERER +REMARK 1 TITL TITINS: GIANT PROTEINS IN CHARGE OF MUSCLE +REMARK 1 TITL 2 ULTRASTRUCTURE AND ELASTICITY +REMARK 1 REF SCIENCE V. 270 293 1995 +REMARK 1 REFN ISSN 0036-8075 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : XPLOR (EXTENDED VERSION) VERSION) +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1TIT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : NULL +REMARK 210 PH : NULL +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : NULL +REMARK 210 SAMPLE CONTENTS : NULL +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL +REMARK 210 SPECTROMETER FIELD STRENGTH : NULL +REMARK 210 SPECTROMETER MODEL : NULL +REMARK 210 SPECTROMETER MANUFACTURER : NULL +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : NULL +REMARK 210 METHOD USED : NULL +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 +REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: NULL +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 RES C SSSEQI +REMARK 465 MET A -8 +REMARK 465 HIS A -7 +REMARK 465 HIS A -6 +REMARK 465 HIS A -5 +REMARK 465 HIS A -4 +REMARK 465 HIS A -3 +REMARK 465 HIS A -2 +REMARK 465 SER A -1 +REMARK 465 SER A 0 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O LEU A 65 OG1 THR A 68 1.62 +REMARK 500 O GLY A 53 N LYS A 55 1.79 +REMARK 500 O LEU A 36 N GLY A 38 1.80 +REMARK 500 O GLY A 66 N THR A 68 1.89 +REMARK 500 O GLN A 64 CG1 VAL A 86 2.15 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 VAL A 15 107.03 22.15 +REMARK 500 GLU A 17 -148.36 -59.66 +REMARK 500 ILE A 23 119.50 -169.74 +REMARK 500 LEU A 25 -146.26 -105.34 +REMARK 500 ASP A 29 87.45 65.90 +REMARK 500 HIS A 31 94.91 -164.02 +REMARK 500 LEU A 36 -162.11 -54.40 +REMARK 500 LYS A 37 -28.77 -17.03 +REMARK 500 LEU A 41 -129.08 -70.12 +REMARK 500 THR A 42 111.99 -167.98 +REMARK 500 ALA A 43 109.93 -37.24 +REMARK 500 SER A 44 -143.07 -129.60 +REMARK 500 LYS A 54 -11.35 -26.50 +REMARK 500 ASN A 62 79.91 -14.55 +REMARK 500 MET A 67 -0.05 -36.44 +REMARK 500 THR A 68 80.20 -65.36 +REMARK 500 ALA A 76 -99.95 39.32 +REMARK 500 ALA A 81 100.18 -165.30 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1TIU RELATED DB: PDB +DBREF 1TIT A 1 89 UNP Q10466 Q10466_HUMAN 5253 5341 +SEQRES 1 A 98 MET HIS HIS HIS HIS HIS HIS SER SER LEU ILE GLU VAL +SEQRES 2 A 98 GLU LYS PRO LEU TYR GLY VAL GLU VAL PHE VAL GLY GLU +SEQRES 3 A 98 THR ALA HIS PHE GLU ILE GLU LEU SER GLU PRO ASP VAL +SEQRES 4 A 98 HIS GLY GLN TRP LYS LEU LYS GLY GLN PRO LEU THR ALA +SEQRES 5 A 98 SER PRO ASP CYS GLU ILE ILE GLU ASP GLY LYS LYS HIS +SEQRES 6 A 98 ILE LEU ILE LEU HIS ASN CYS GLN LEU GLY MET THR GLY +SEQRES 7 A 98 GLU VAL SER PHE GLN ALA ALA ASN ALA LYS SER ALA ALA +SEQRES 8 A 98 ASN LEU LYS VAL LYS GLU LEU +SHEET 1 S1 4 VAL A 4 PRO A 7 0 +SHEET 2 S1 4 THR A 18 LEU A 25 -1 N GLU A 24 O LYS A 6 +SHEET 3 S1 4 LYS A 55 HIS A 61 -1 O LEU A 60 N ALA A 19 +SHEET 4 S1 4 CYS A 47 ASP A 52 -1 N GLU A 48 O ILE A 59 +SHEET 1 S2 4 VAL A 11 VAL A 15 0 +SHEET 2 S2 4 ALA A 78 GLU A 88 1 N LYS A 85 O VAL A 11 +SHEET 3 S2 4 GLY A 69 ALA A 75 -1 O GLY A 69 N LEU A 84 +SHEET 4 S2 4 GLY A 32 LEU A 36 -1 N LYS A 35 O SER A 72 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +ATOM 1 N LEU A 1 -19.761 9.730 -6.893 1.00 1.53 N +ATOM 2 CA LEU A 1 -18.458 10.272 -7.373 1.00 1.23 C +ATOM 3 C LEU A 1 -17.720 10.966 -6.225 1.00 1.07 C +ATOM 4 O LEU A 1 -18.114 12.024 -5.771 1.00 1.34 O +ATOM 5 CB LEU A 1 -18.824 11.281 -8.461 1.00 1.41 C +ATOM 6 CG LEU A 1 -19.232 10.537 -9.734 1.00 2.08 C +ATOM 7 CD1 LEU A 1 -20.593 11.048 -10.209 1.00 2.67 C +ATOM 8 CD2 LEU A 1 -18.188 10.784 -10.824 1.00 2.62 C +ATOM 9 HA LEU A 1 -17.851 9.484 -7.789 1.00 1.36 H +ATOM 10 HB2 LEU A 1 -19.647 11.894 -8.121 1.00 1.65 H +ATOM 11 HB3 LEU A 1 -17.971 11.908 -8.672 1.00 1.70 H +ATOM 12 HG LEU A 1 -19.297 9.478 -9.528 1.00 2.43 H +ATOM 13 HD11 LEU A 1 -20.634 12.122 -10.097 1.00 3.14 H +ATOM 14 HD12 LEU A 1 -20.732 10.791 -11.248 1.00 2.70 H +ATOM 15 HD13 LEU A 1 -21.375 10.594 -9.618 1.00 3.22 H +ATOM 16 HD21 LEU A 1 -17.218 10.927 -10.369 1.00 2.96 H +ATOM 17 HD22 LEU A 1 -18.151 9.933 -11.488 1.00 3.04 H +ATOM 18 HD23 LEU A 1 -18.456 11.668 -11.386 1.00 2.96 H +ATOM 19 N ILE A 2 -16.653 10.383 -5.753 1.00 0.90 N +ATOM 20 CA ILE A 2 -15.892 11.012 -4.636 1.00 0.96 C +ATOM 21 C ILE A 2 -14.440 11.252 -5.056 1.00 0.88 C +ATOM 22 O ILE A 2 -14.054 10.981 -6.175 1.00 1.35 O +ATOM 23 CB ILE A 2 -15.958 10.002 -3.491 1.00 1.52 C +ATOM 24 CG1 ILE A 2 -16.579 8.697 -3.998 1.00 2.22 C +ATOM 25 CG2 ILE A 2 -16.816 10.567 -2.358 1.00 1.84 C +ATOM 26 CD1 ILE A 2 -16.728 7.719 -2.830 1.00 2.83 C +ATOM 27 H ILE A 2 -16.351 9.532 -6.133 1.00 0.98 H +ATOM 28 HA ILE A 2 -16.357 11.939 -4.338 1.00 1.22 H +ATOM 29 HB ILE A 2 -14.960 9.809 -3.125 1.00 2.22 H +ATOM 30 HG12 ILE A 2 -17.551 8.904 -4.422 1.00 2.46 H +ATOM 31 HG13 ILE A 2 -15.941 8.262 -4.751 1.00 2.82 H +ATOM 32 HG21 ILE A 2 -16.453 11.548 -2.086 1.00 2.37 H +ATOM 33 HG22 ILE A 2 -17.843 10.643 -2.687 1.00 2.27 H +ATOM 34 HG23 ILE A 2 -16.760 9.912 -1.502 1.00 2.13 H +ATOM 35 HD11 ILE A 2 -15.868 7.801 -2.181 1.00 3.06 H +ATOM 36 HD12 ILE A 2 -17.622 7.954 -2.273 1.00 3.14 H +ATOM 37 HD13 ILE A 2 -16.795 6.711 -3.212 1.00 3.35 H +ATOM 38 N GLU A 3 -13.632 11.758 -4.165 1.00 0.91 N +ATOM 39 CA GLU A 3 -12.206 12.015 -4.513 1.00 1.23 C +ATOM 40 C GLU A 3 -11.286 11.478 -3.413 1.00 1.01 C +ATOM 41 O GLU A 3 -11.676 10.653 -2.610 1.00 1.55 O +ATOM 42 CB GLU A 3 -12.090 13.536 -4.617 1.00 1.82 C +ATOM 43 CG GLU A 3 -12.308 13.966 -6.069 1.00 2.60 C +ATOM 44 CD GLU A 3 -12.314 15.494 -6.154 1.00 3.24 C +ATOM 45 OE1 GLU A 3 -12.250 16.126 -5.113 1.00 3.64 O +ATOM 46 OE2 GLU A 3 -12.385 16.005 -7.260 1.00 3.80 O +ATOM 47 H GLU A 3 -13.963 11.970 -3.267 1.00 1.14 H +ATOM 48 HA GLU A 3 -11.961 11.562 -5.462 1.00 1.56 H +ATOM 49 HB2 GLU A 3 -12.838 13.997 -3.987 1.00 2.07 H +ATOM 50 HB3 GLU A 3 -11.107 13.846 -4.294 1.00 2.13 H +ATOM 51 HG2 GLU A 3 -11.510 13.574 -6.683 1.00 2.98 H +ATOM 52 HG3 GLU A 3 -13.253 13.583 -6.420 1.00 2.97 H +ATOM 53 N VAL A 4 -10.066 11.939 -3.373 1.00 1.01 N +ATOM 54 CA VAL A 4 -9.118 11.456 -2.328 1.00 0.77 C +ATOM 55 C VAL A 4 -8.589 12.637 -1.507 1.00 0.76 C +ATOM 56 O VAL A 4 -7.599 13.251 -1.852 1.00 1.03 O +ATOM 57 CB VAL A 4 -7.983 10.788 -3.106 1.00 0.76 C +ATOM 58 CG1 VAL A 4 -6.777 10.590 -2.186 1.00 0.96 C +ATOM 59 CG2 VAL A 4 -8.454 9.426 -3.625 1.00 1.04 C +ATOM 60 H VAL A 4 -9.771 12.602 -4.031 1.00 1.60 H +ATOM 61 HA VAL A 4 -9.599 10.735 -1.686 1.00 0.79 H +ATOM 62 HB VAL A 4 -7.700 11.414 -3.939 1.00 1.07 H +ATOM 63 HG11 VAL A 4 -7.063 10.803 -1.167 1.00 1.37 H +ATOM 64 HG12 VAL A 4 -6.434 9.569 -2.257 1.00 1.41 H +ATOM 65 HG13 VAL A 4 -5.984 11.259 -2.484 1.00 1.63 H +ATOM 66 HG21 VAL A 4 -9.282 9.079 -3.025 1.00 1.57 H +ATOM 67 HG22 VAL A 4 -8.771 9.522 -4.653 1.00 1.64 H +ATOM 68 HG23 VAL A 4 -7.643 8.717 -3.564 1.00 1.37 H +ATOM 69 N GLU A 5 -9.246 12.962 -0.425 1.00 0.62 N +ATOM 70 CA GLU A 5 -8.782 14.106 0.415 1.00 0.72 C +ATOM 71 C GLU A 5 -7.331 13.894 0.848 1.00 0.67 C +ATOM 72 O GLU A 5 -6.566 14.831 0.972 1.00 0.79 O +ATOM 73 CB GLU A 5 -9.706 14.106 1.634 1.00 0.79 C +ATOM 74 CG GLU A 5 -11.132 13.771 1.195 1.00 1.37 C +ATOM 75 CD GLU A 5 -11.810 15.033 0.661 1.00 1.81 C +ATOM 76 OE1 GLU A 5 -12.366 15.767 1.460 1.00 2.26 O +ATOM 77 OE2 GLU A 5 -11.763 15.244 -0.540 1.00 2.42 O +ATOM 78 H GLU A 5 -10.044 12.456 -0.166 1.00 0.63 H +ATOM 79 HA GLU A 5 -8.884 15.034 -0.123 1.00 0.84 H +ATOM 80 HB2 GLU A 5 -9.363 13.367 2.344 1.00 1.18 H +ATOM 81 HB3 GLU A 5 -9.693 15.082 2.095 1.00 1.12 H +ATOM 82 HG2 GLU A 5 -11.100 13.019 0.419 1.00 1.86 H +ATOM 83 HG3 GLU A 5 -11.689 13.395 2.040 1.00 1.66 H +ATOM 84 N LYS A 6 -6.948 12.671 1.085 1.00 0.59 N +ATOM 85 CA LYS A 6 -5.548 12.399 1.516 1.00 0.58 C +ATOM 86 C LYS A 6 -4.942 11.277 0.671 1.00 0.46 C +ATOM 87 O LYS A 6 -5.374 10.145 0.739 1.00 0.41 O +ATOM 88 CB LYS A 6 -5.660 11.968 2.978 1.00 0.64 C +ATOM 89 CG LYS A 6 -4.378 12.343 3.720 1.00 1.18 C +ATOM 90 CD LYS A 6 -4.732 12.934 5.086 1.00 1.49 C +ATOM 91 CE LYS A 6 -3.538 13.726 5.624 1.00 2.10 C +ATOM 92 NZ LYS A 6 -4.075 14.490 6.785 1.00 2.76 N +ATOM 93 H LYS A 6 -7.581 11.932 0.983 1.00 0.60 H +ATOM 94 HA LYS A 6 -4.950 13.295 1.441 1.00 0.69 H +ATOM 95 HB2 LYS A 6 -6.503 12.465 3.436 1.00 0.89 H +ATOM 96 HB3 LYS A 6 -5.802 10.898 3.028 1.00 0.89 H +ATOM 97 HG2 LYS A 6 -3.769 11.461 3.855 1.00 1.84 H +ATOM 98 HG3 LYS A 6 -3.831 13.074 3.145 1.00 1.77 H +ATOM 99 HD2 LYS A 6 -5.585 13.591 4.984 1.00 1.83 H +ATOM 100 HD3 LYS A 6 -4.971 12.136 5.773 1.00 2.00 H +ATOM 101 HE2 LYS A 6 -2.755 13.052 5.944 1.00 2.46 H +ATOM 102 HE3 LYS A 6 -3.168 14.407 4.874 1.00 2.52 H +ATOM 103 HZ1 LYS A 6 -4.898 15.047 6.483 1.00 3.07 H +ATOM 104 HZ2 LYS A 6 -4.361 13.828 7.533 1.00 3.21 H +ATOM 105 HZ3 LYS A 6 -3.337 15.127 7.149 1.00 3.12 H +ATOM 106 N PRO A 7 -3.955 11.637 -0.102 1.00 0.48 N +ATOM 107 CA PRO A 7 -3.271 10.653 -0.975 1.00 0.43 C +ATOM 108 C PRO A 7 -2.398 9.714 -0.139 1.00 0.39 C +ATOM 109 O PRO A 7 -2.388 9.775 1.074 1.00 0.44 O +ATOM 110 CB PRO A 7 -2.416 11.522 -1.893 1.00 0.57 C +ATOM 111 CG PRO A 7 -2.191 12.788 -1.129 1.00 0.65 C +ATOM 112 CD PRO A 7 -3.387 12.983 -0.232 1.00 0.63 C +ATOM 113 HA PRO A 7 -3.989 10.095 -1.555 1.00 0.42 H +ATOM 114 HB2 PRO A 7 -1.474 11.032 -2.101 1.00 0.59 H +ATOM 115 HB3 PRO A 7 -2.943 11.733 -2.811 1.00 0.63 H +ATOM 116 HG2 PRO A 7 -1.291 12.705 -0.536 1.00 0.67 H +ATOM 117 HG3 PRO A 7 -2.109 13.621 -1.810 1.00 0.76 H +ATOM 118 HD2 PRO A 7 -3.078 13.364 0.732 1.00 0.70 H +ATOM 119 HD3 PRO A 7 -4.104 13.645 -0.692 1.00 0.69 H +ATOM 120 N LEU A 8 -1.669 8.841 -0.779 1.00 0.37 N +ATOM 121 CA LEU A 8 -0.801 7.897 -0.020 1.00 0.40 C +ATOM 122 C LEU A 8 0.559 8.540 0.271 1.00 0.48 C +ATOM 123 O LEU A 8 0.750 9.724 0.077 1.00 0.66 O +ATOM 124 CB LEU A 8 -0.639 6.686 -0.940 1.00 0.40 C +ATOM 125 CG LEU A 8 -2.014 6.083 -1.231 1.00 0.38 C +ATOM 126 CD1 LEU A 8 -1.928 5.185 -2.465 1.00 0.39 C +ATOM 127 CD2 LEU A 8 -2.472 5.252 -0.031 1.00 0.41 C +ATOM 128 H LEU A 8 -1.693 8.805 -1.757 1.00 0.39 H +ATOM 129 HA LEU A 8 -1.281 7.599 0.899 1.00 0.44 H +ATOM 130 HB2 LEU A 8 -0.177 6.998 -1.865 1.00 0.43 H +ATOM 131 HB3 LEU A 8 -0.019 5.947 -0.456 1.00 0.46 H +ATOM 132 HG LEU A 8 -2.725 6.878 -1.413 1.00 0.40 H +ATOM 133 HD11 LEU A 8 -0.960 4.707 -2.496 1.00 1.08 H +ATOM 134 HD12 LEU A 8 -2.701 4.431 -2.417 1.00 1.10 H +ATOM 135 HD13 LEU A 8 -2.064 5.782 -3.356 1.00 1.06 H +ATOM 136 HD21 LEU A 8 -2.216 5.768 0.883 1.00 0.98 H +ATOM 137 HD22 LEU A 8 -3.541 5.110 -0.077 1.00 1.00 H +ATOM 138 HD23 LEU A 8 -1.980 4.291 -0.050 1.00 1.02 H +ATOM 139 N TYR A 9 1.503 7.770 0.739 1.00 0.48 N +ATOM 140 CA TYR A 9 2.848 8.338 1.046 1.00 0.59 C +ATOM 141 C TYR A 9 3.939 7.296 0.781 1.00 0.57 C +ATOM 142 O TYR A 9 3.878 6.184 1.266 1.00 1.28 O +ATOM 143 CB TYR A 9 2.794 8.692 2.533 1.00 0.75 C +ATOM 144 CG TYR A 9 2.437 10.150 2.694 1.00 1.33 C +ATOM 145 CD1 TYR A 9 1.302 10.666 2.055 1.00 2.04 C +ATOM 146 CD2 TYR A 9 3.239 10.985 3.480 1.00 2.30 C +ATOM 147 CE1 TYR A 9 0.971 12.018 2.203 1.00 3.00 C +ATOM 148 CE2 TYR A 9 2.908 12.337 3.628 1.00 3.24 C +ATOM 149 CZ TYR A 9 1.773 12.853 2.990 1.00 3.44 C +ATOM 150 OH TYR A 9 1.447 14.186 3.137 1.00 4.53 O +ATOM 151 H TYR A 9 1.328 6.817 0.891 1.00 0.52 H +ATOM 152 HA TYR A 9 3.024 9.227 0.461 1.00 0.64 H +ATOM 153 HB2 TYR A 9 2.046 8.082 3.020 1.00 0.97 H +ATOM 154 HB3 TYR A 9 3.758 8.506 2.983 1.00 1.46 H +ATOM 155 HD1 TYR A 9 0.684 10.022 1.450 1.00 2.37 H +ATOM 156 HD2 TYR A 9 4.114 10.586 3.971 1.00 2.70 H +ATOM 157 HE1 TYR A 9 0.095 12.416 1.712 1.00 3.72 H +ATOM 158 HE2 TYR A 9 3.527 12.981 4.235 1.00 4.10 H +ATOM 159 HH TYR A 9 2.136 14.604 3.659 1.00 4.82 H +ATOM 160 N GLY A 10 4.937 7.647 0.018 1.00 0.70 N +ATOM 161 CA GLY A 10 6.030 6.675 -0.273 1.00 0.68 C +ATOM 162 C GLY A 10 6.776 6.346 1.022 1.00 0.66 C +ATOM 163 O GLY A 10 7.212 7.225 1.739 1.00 0.80 O +ATOM 164 H GLY A 10 4.971 8.549 -0.363 1.00 1.31 H +ATOM 165 HA2 GLY A 10 5.606 5.771 -0.687 1.00 0.65 H +ATOM 166 HA3 GLY A 10 6.720 7.109 -0.981 1.00 0.77 H +ATOM 167 N VAL A 11 6.924 5.087 1.331 1.00 0.58 N +ATOM 168 CA VAL A 11 7.639 4.707 2.583 1.00 0.61 C +ATOM 169 C VAL A 11 8.670 3.611 2.298 1.00 0.52 C +ATOM 170 O VAL A 11 8.517 2.819 1.390 1.00 0.50 O +ATOM 171 CB VAL A 11 6.551 4.185 3.515 1.00 0.70 C +ATOM 172 CG1 VAL A 11 6.190 2.761 3.109 1.00 1.28 C +ATOM 173 CG2 VAL A 11 7.068 4.187 4.955 1.00 1.46 C +ATOM 174 H VAL A 11 6.562 4.392 0.742 1.00 0.58 H +ATOM 175 HA VAL A 11 8.114 5.564 3.021 1.00 0.75 H +ATOM 176 HB VAL A 11 5.677 4.816 3.439 1.00 1.35 H +ATOM 177 HG11 VAL A 11 6.776 2.480 2.247 1.00 1.81 H +ATOM 178 HG12 VAL A 11 6.404 2.089 3.924 1.00 1.87 H +ATOM 179 HG13 VAL A 11 5.141 2.712 2.864 1.00 1.81 H +ATOM 180 HG21 VAL A 11 7.580 5.118 5.152 1.00 2.09 H +ATOM 181 HG22 VAL A 11 6.236 4.082 5.635 1.00 1.92 H +ATOM 182 HG23 VAL A 11 7.752 3.364 5.093 1.00 1.98 H +ATOM 183 N GLU A 12 9.722 3.561 3.070 1.00 0.65 N +ATOM 184 CA GLU A 12 10.762 2.516 2.845 1.00 0.60 C +ATOM 185 C GLU A 12 10.639 1.411 3.899 1.00 0.60 C +ATOM 186 O GLU A 12 10.040 1.597 4.939 1.00 0.73 O +ATOM 187 CB GLU A 12 12.099 3.246 2.988 1.00 0.75 C +ATOM 188 CG GLU A 12 11.977 4.653 2.401 1.00 1.34 C +ATOM 189 CD GLU A 12 13.286 5.413 2.616 1.00 1.75 C +ATOM 190 OE1 GLU A 12 14.312 4.764 2.742 1.00 2.33 O +ATOM 191 OE2 GLU A 12 13.243 6.632 2.650 1.00 2.16 O +ATOM 192 H GLU A 12 9.827 4.208 3.799 1.00 0.84 H +ATOM 193 HA GLU A 12 10.672 2.102 1.853 1.00 0.56 H +ATOM 194 HB2 GLU A 12 12.364 3.312 4.033 1.00 1.25 H +ATOM 195 HB3 GLU A 12 12.865 2.702 2.455 1.00 1.10 H +ATOM 196 HG2 GLU A 12 11.768 4.585 1.343 1.00 1.75 H +ATOM 197 HG3 GLU A 12 11.173 5.179 2.893 1.00 1.88 H +ATOM 198 N VAL A 13 11.201 0.263 3.635 1.00 0.54 N +ATOM 199 CA VAL A 13 11.115 -0.853 4.621 1.00 0.63 C +ATOM 200 C VAL A 13 12.272 -1.834 4.415 1.00 0.59 C +ATOM 201 O VAL A 13 12.725 -2.051 3.308 1.00 0.70 O +ATOM 202 CB VAL A 13 9.776 -1.533 4.335 1.00 0.77 C +ATOM 203 CG1 VAL A 13 9.539 -1.582 2.824 1.00 0.91 C +ATOM 204 CG2 VAL A 13 9.801 -2.958 4.891 1.00 1.65 C +ATOM 205 H VAL A 13 11.680 0.133 2.790 1.00 0.50 H +ATOM 206 HA VAL A 13 11.122 -0.467 5.629 1.00 0.73 H +ATOM 207 HB VAL A 13 8.981 -0.974 4.805 1.00 1.30 H +ATOM 208 HG11 VAL A 13 10.478 -1.449 2.307 1.00 1.55 H +ATOM 209 HG12 VAL A 13 9.114 -2.539 2.557 1.00 1.47 H +ATOM 210 HG13 VAL A 13 8.858 -0.794 2.541 1.00 1.49 H +ATOM 211 HG21 VAL A 13 9.969 -2.925 5.958 1.00 2.17 H +ATOM 212 HG22 VAL A 13 8.855 -3.438 4.690 1.00 2.21 H +ATOM 213 HG23 VAL A 13 10.595 -3.516 4.418 1.00 2.10 H +ATOM 214 N PHE A 14 12.754 -2.429 5.473 1.00 0.61 N +ATOM 215 CA PHE A 14 13.882 -3.396 5.337 1.00 0.67 C +ATOM 216 C PHE A 14 13.348 -4.832 5.311 1.00 0.75 C +ATOM 217 O PHE A 14 13.457 -5.562 6.275 1.00 1.46 O +ATOM 218 CB PHE A 14 14.747 -3.171 6.577 1.00 0.79 C +ATOM 219 CG PHE A 14 16.089 -2.618 6.165 1.00 0.87 C +ATOM 220 CD1 PHE A 14 16.217 -1.919 4.958 1.00 1.52 C +ATOM 221 CD2 PHE A 14 17.207 -2.803 6.988 1.00 1.54 C +ATOM 222 CE1 PHE A 14 17.461 -1.405 4.575 1.00 1.64 C +ATOM 223 CE2 PHE A 14 18.451 -2.289 6.604 1.00 1.62 C +ATOM 224 CZ PHE A 14 18.578 -1.591 5.398 1.00 1.18 C +ATOM 225 H PHE A 14 12.375 -2.240 6.356 1.00 0.73 H +ATOM 226 HA PHE A 14 14.454 -3.189 4.446 1.00 0.64 H +ATOM 227 HB2 PHE A 14 14.256 -2.470 7.236 1.00 0.83 H +ATOM 228 HB3 PHE A 14 14.889 -4.109 7.093 1.00 0.86 H +ATOM 229 HD1 PHE A 14 15.355 -1.775 4.324 1.00 2.31 H +ATOM 230 HD2 PHE A 14 17.109 -3.343 7.918 1.00 2.34 H +ATOM 231 HE1 PHE A 14 17.559 -0.866 3.645 1.00 2.46 H +ATOM 232 HE2 PHE A 14 19.314 -2.432 7.238 1.00 2.42 H +ATOM 233 HZ PHE A 14 19.537 -1.194 5.102 1.00 1.33 H +ATOM 234 N VAL A 15 12.767 -5.240 4.215 1.00 0.48 N +ATOM 235 CA VAL A 15 12.224 -6.628 4.132 1.00 0.48 C +ATOM 236 C VAL A 15 11.960 -7.175 5.537 1.00 0.56 C +ATOM 237 O VAL A 15 12.874 -7.504 6.268 1.00 0.72 O +ATOM 238 CB VAL A 15 13.313 -7.443 3.435 1.00 0.52 C +ATOM 239 CG1 VAL A 15 12.908 -8.920 3.410 1.00 1.02 C +ATOM 240 CG2 VAL A 15 13.489 -6.941 2.001 1.00 1.26 C +ATOM 241 H VAL A 15 12.686 -4.636 3.448 1.00 0.91 H +ATOM 242 HA VAL A 15 11.319 -6.643 3.546 1.00 0.57 H +ATOM 243 HB VAL A 15 14.244 -7.335 3.973 1.00 1.12 H +ATOM 244 HG11 VAL A 15 12.357 -9.158 4.308 1.00 1.52 H +ATOM 245 HG12 VAL A 15 12.287 -9.110 2.546 1.00 1.73 H +ATOM 246 HG13 VAL A 15 13.794 -9.535 3.357 1.00 1.49 H +ATOM 247 HG21 VAL A 15 12.804 -6.125 1.819 1.00 1.84 H +ATOM 248 HG22 VAL A 15 14.503 -6.598 1.861 1.00 1.70 H +ATOM 249 HG23 VAL A 15 13.282 -7.746 1.310 1.00 1.88 H +ATOM 250 N GLY A 16 10.716 -7.277 5.921 1.00 0.74 N +ATOM 251 CA GLY A 16 10.396 -7.805 7.277 1.00 0.95 C +ATOM 252 C GLY A 16 9.663 -6.735 8.087 1.00 0.89 C +ATOM 253 O GLY A 16 8.748 -7.025 8.831 1.00 1.04 O +ATOM 254 H GLY A 16 9.994 -7.009 5.317 1.00 0.87 H +ATOM 255 HA2 GLY A 16 9.768 -8.680 7.182 1.00 1.08 H +ATOM 256 HA3 GLY A 16 11.311 -8.071 7.786 1.00 1.13 H +ATOM 257 N GLU A 17 10.057 -5.498 7.952 1.00 0.79 N +ATOM 258 CA GLU A 17 9.379 -4.413 8.718 1.00 0.86 C +ATOM 259 C GLU A 17 7.890 -4.364 8.359 1.00 0.73 C +ATOM 260 O GLU A 17 7.281 -5.371 8.057 1.00 0.84 O +ATOM 261 CB GLU A 17 10.080 -3.124 8.289 1.00 0.90 C +ATOM 262 CG GLU A 17 10.930 -2.598 9.448 1.00 1.40 C +ATOM 263 CD GLU A 17 12.081 -1.753 8.896 1.00 1.91 C +ATOM 264 OE1 GLU A 17 13.130 -2.318 8.628 1.00 2.46 O +ATOM 265 OE2 GLU A 17 11.896 -0.556 8.753 1.00 2.49 O +ATOM 266 H GLU A 17 10.799 -5.282 7.347 1.00 0.75 H +ATOM 267 HA GLU A 17 9.505 -4.567 9.778 1.00 1.06 H +ATOM 268 HB2 GLU A 17 10.714 -3.325 7.438 1.00 1.36 H +ATOM 269 HB3 GLU A 17 9.341 -2.383 8.023 1.00 1.27 H +ATOM 270 HG2 GLU A 17 10.316 -1.991 10.098 1.00 2.02 H +ATOM 271 HG3 GLU A 17 11.332 -3.429 10.005 1.00 1.90 H +ATOM 272 N THR A 18 7.301 -3.202 8.394 1.00 0.77 N +ATOM 273 CA THR A 18 5.853 -3.088 8.056 1.00 0.66 C +ATOM 274 C THR A 18 5.572 -1.743 7.380 1.00 0.65 C +ATOM 275 O THR A 18 5.755 -0.693 7.964 1.00 0.94 O +ATOM 276 CB THR A 18 5.128 -3.179 9.401 1.00 0.80 C +ATOM 277 OG1 THR A 18 5.956 -3.859 10.336 1.00 1.03 O +ATOM 278 CG2 THR A 18 3.815 -3.944 9.229 1.00 1.26 C +ATOM 279 H THR A 18 7.811 -2.401 8.642 1.00 1.00 H +ATOM 280 HA THR A 18 5.550 -3.903 7.418 1.00 0.60 H +ATOM 281 HB THR A 18 4.915 -2.185 9.765 1.00 1.22 H +ATOM 282 HG1 THR A 18 5.694 -3.586 11.218 1.00 1.44 H +ATOM 283 HG21 THR A 18 3.883 -4.585 8.362 1.00 1.66 H +ATOM 284 HG22 THR A 18 3.629 -4.545 10.107 1.00 1.80 H +ATOM 285 HG23 THR A 18 3.004 -3.244 9.094 1.00 1.78 H +ATOM 286 N ALA A 19 5.130 -1.766 6.151 1.00 0.61 N +ATOM 287 CA ALA A 19 4.839 -0.489 5.438 1.00 0.61 C +ATOM 288 C ALA A 19 3.471 0.050 5.865 1.00 0.52 C +ATOM 289 O ALA A 19 2.655 -0.668 6.408 1.00 0.65 O +ATOM 290 CB ALA A 19 4.832 -0.855 3.953 1.00 0.74 C +ATOM 291 H ALA A 19 4.990 -2.623 5.697 1.00 0.80 H +ATOM 292 HA ALA A 19 5.610 0.239 5.635 1.00 0.69 H +ATOM 293 HB1 ALA A 19 4.649 -1.914 3.844 1.00 1.18 H +ATOM 294 HB2 ALA A 19 4.053 -0.301 3.450 1.00 1.24 H +ATOM 295 HB3 ALA A 19 5.789 -0.608 3.517 1.00 1.36 H +ATOM 296 N HIS A 20 3.213 1.306 5.629 1.00 0.51 N +ATOM 297 CA HIS A 20 1.896 1.882 6.028 1.00 0.47 C +ATOM 298 C HIS A 20 1.354 2.801 4.928 1.00 0.46 C +ATOM 299 O HIS A 20 2.053 3.653 4.417 1.00 0.68 O +ATOM 300 CB HIS A 20 2.185 2.681 7.299 1.00 0.57 C +ATOM 301 CG HIS A 20 1.656 1.934 8.492 1.00 1.06 C +ATOM 302 ND1 HIS A 20 2.084 2.205 9.783 1.00 2.00 N +ATOM 303 CD2 HIS A 20 0.733 0.924 8.607 1.00 1.34 C +ATOM 304 CE1 HIS A 20 1.425 1.374 10.611 1.00 2.52 C +ATOM 305 NE2 HIS A 20 0.588 0.572 9.945 1.00 2.11 N +ATOM 306 H HIS A 20 3.883 1.873 5.192 1.00 0.65 H +ATOM 307 HA HIS A 20 1.190 1.095 6.242 1.00 0.46 H +ATOM 308 HB2 HIS A 20 3.251 2.818 7.403 1.00 0.89 H +ATOM 309 HB3 HIS A 20 1.701 3.645 7.235 1.00 0.89 H +ATOM 310 HD1 HIS A 20 2.747 2.877 10.044 1.00 2.37 H +ATOM 311 HD2 HIS A 20 0.201 0.472 7.783 1.00 1.47 H +ATOM 312 HE1 HIS A 20 1.554 1.359 11.683 1.00 3.34 H +ATOM 313 N PHE A 21 0.112 2.635 4.564 1.00 0.34 N +ATOM 314 CA PHE A 21 -0.479 3.499 3.502 1.00 0.35 C +ATOM 315 C PHE A 21 -1.886 3.946 3.911 1.00 0.38 C +ATOM 316 O PHE A 21 -2.780 3.141 4.073 1.00 0.59 O +ATOM 317 CB PHE A 21 -0.537 2.614 2.256 1.00 0.35 C +ATOM 318 CG PHE A 21 0.867 2.284 1.808 1.00 0.39 C +ATOM 319 CD1 PHE A 21 1.643 3.253 1.163 1.00 1.34 C +ATOM 320 CD2 PHE A 21 1.393 1.006 2.041 1.00 1.23 C +ATOM 321 CE1 PHE A 21 2.945 2.948 0.750 1.00 1.40 C +ATOM 322 CE2 PHE A 21 2.696 0.700 1.627 1.00 1.26 C +ATOM 323 CZ PHE A 21 3.472 1.671 0.982 1.00 0.63 C +ATOM 324 H PHE A 21 -0.435 1.942 4.992 1.00 0.40 H +ATOM 325 HA PHE A 21 0.150 4.354 3.318 1.00 0.38 H +ATOM 326 HB2 PHE A 21 -1.066 1.702 2.486 1.00 0.39 H +ATOM 327 HB3 PHE A 21 -1.051 3.139 1.465 1.00 0.38 H +ATOM 328 HD1 PHE A 21 1.237 4.238 0.984 1.00 2.23 H +ATOM 329 HD2 PHE A 21 0.794 0.258 2.539 1.00 2.12 H +ATOM 330 HE1 PHE A 21 3.543 3.696 0.252 1.00 2.30 H +ATOM 331 HE2 PHE A 21 3.103 -0.284 1.806 1.00 2.15 H +ATOM 332 HZ PHE A 21 4.477 1.435 0.663 1.00 0.75 H +ATOM 333 N GLU A 22 -2.087 5.224 4.084 1.00 0.39 N +ATOM 334 CA GLU A 22 -3.436 5.718 4.490 1.00 0.43 C +ATOM 335 C GLU A 22 -4.070 6.544 3.367 1.00 0.37 C +ATOM 336 O GLU A 22 -3.393 7.048 2.492 1.00 0.39 O +ATOM 337 CB GLU A 22 -3.183 6.593 5.718 1.00 0.56 C +ATOM 338 CG GLU A 22 -2.938 5.702 6.937 1.00 0.88 C +ATOM 339 CD GLU A 22 -1.953 6.390 7.883 1.00 1.46 C +ATOM 340 OE1 GLU A 22 -1.910 7.610 7.879 1.00 2.02 O +ATOM 341 OE2 GLU A 22 -1.257 5.686 8.598 1.00 2.06 O +ATOM 342 H GLU A 22 -1.352 5.859 3.953 1.00 0.52 H +ATOM 343 HA GLU A 22 -4.074 4.891 4.754 1.00 0.46 H +ATOM 344 HB2 GLU A 22 -2.316 7.214 5.545 1.00 0.82 H +ATOM 345 HB3 GLU A 22 -4.045 7.218 5.899 1.00 0.61 H +ATOM 346 HG2 GLU A 22 -3.873 5.532 7.451 1.00 1.25 H +ATOM 347 HG3 GLU A 22 -2.526 4.758 6.616 1.00 0.97 H +ATOM 348 N ILE A 23 -5.367 6.688 3.389 1.00 0.37 N +ATOM 349 CA ILE A 23 -6.055 7.482 2.330 1.00 0.35 C +ATOM 350 C ILE A 23 -7.518 7.713 2.715 1.00 0.38 C +ATOM 351 O ILE A 23 -8.279 6.783 2.888 1.00 0.44 O +ATOM 352 CB ILE A 23 -5.962 6.626 1.067 1.00 0.34 C +ATOM 353 CG1 ILE A 23 -6.706 7.322 -0.076 1.00 0.41 C +ATOM 354 CG2 ILE A 23 -6.598 5.259 1.329 1.00 0.34 C +ATOM 355 CD1 ILE A 23 -6.055 6.952 -1.410 1.00 0.65 C +ATOM 356 H ILE A 23 -5.892 6.275 4.106 1.00 0.41 H +ATOM 357 HA ILE A 23 -5.550 8.423 2.176 1.00 0.41 H +ATOM 358 HB ILE A 23 -4.925 6.495 0.797 1.00 0.37 H +ATOM 359 HG12 ILE A 23 -7.739 7.004 -0.078 1.00 0.75 H +ATOM 360 HG13 ILE A 23 -6.659 8.392 0.062 1.00 0.76 H +ATOM 361 HG21 ILE A 23 -7.570 5.395 1.779 1.00 1.02 H +ATOM 362 HG22 ILE A 23 -6.704 4.728 0.395 1.00 1.13 H +ATOM 363 HG23 ILE A 23 -5.969 4.691 1.997 1.00 1.07 H +ATOM 364 HD11 ILE A 23 -4.985 7.081 -1.336 1.00 1.23 H +ATOM 365 HD12 ILE A 23 -6.277 5.922 -1.646 1.00 1.46 H +ATOM 366 HD13 ILE A 23 -6.441 7.592 -2.189 1.00 1.05 H +ATOM 367 N GLU A 24 -7.918 8.948 2.855 1.00 0.49 N +ATOM 368 CA GLU A 24 -9.332 9.235 3.232 1.00 0.54 C +ATOM 369 C GLU A 24 -10.161 9.566 1.987 1.00 0.46 C +ATOM 370 O GLU A 24 -9.686 10.198 1.064 1.00 0.62 O +ATOM 371 CB GLU A 24 -9.256 10.446 4.161 1.00 0.72 C +ATOM 372 CG GLU A 24 -9.894 10.098 5.508 1.00 1.13 C +ATOM 373 CD GLU A 24 -9.385 11.066 6.579 1.00 1.72 C +ATOM 374 OE1 GLU A 24 -9.649 12.250 6.454 1.00 2.38 O +ATOM 375 OE2 GLU A 24 -8.740 10.606 7.507 1.00 2.18 O +ATOM 376 H GLU A 24 -7.288 9.686 2.712 1.00 0.60 H +ATOM 377 HA GLU A 24 -9.759 8.394 3.757 1.00 0.62 H +ATOM 378 HB2 GLU A 24 -8.222 10.719 4.311 1.00 0.87 H +ATOM 379 HB3 GLU A 24 -9.788 11.274 3.717 1.00 0.95 H +ATOM 380 HG2 GLU A 24 -10.968 10.181 5.430 1.00 1.51 H +ATOM 381 HG3 GLU A 24 -9.629 9.089 5.784 1.00 1.25 H +ATOM 382 N LEU A 25 -11.394 9.145 1.957 1.00 0.46 N +ATOM 383 CA LEU A 25 -12.254 9.436 0.773 1.00 0.49 C +ATOM 384 C LEU A 25 -13.265 10.536 1.114 1.00 0.58 C +ATOM 385 O LEU A 25 -12.981 11.438 1.878 1.00 1.03 O +ATOM 386 CB LEU A 25 -12.971 8.120 0.472 1.00 0.62 C +ATOM 387 CG LEU A 25 -11.952 6.983 0.423 1.00 0.52 C +ATOM 388 CD1 LEU A 25 -12.618 5.724 -0.135 1.00 1.31 C +ATOM 389 CD2 LEU A 25 -10.785 7.386 -0.481 1.00 1.04 C +ATOM 390 H LEU A 25 -11.758 8.637 2.713 1.00 0.61 H +ATOM 391 HA LEU A 25 -11.648 9.728 -0.069 1.00 0.50 H +ATOM 392 HB2 LEU A 25 -13.699 7.921 1.246 1.00 0.89 H +ATOM 393 HB3 LEU A 25 -13.472 8.193 -0.482 1.00 0.79 H +ATOM 394 HG LEU A 25 -11.587 6.784 1.421 1.00 1.11 H +ATOM 395 HD11 LEU A 25 -13.602 5.616 0.296 1.00 1.80 H +ATOM 396 HD12 LEU A 25 -12.701 5.807 -1.208 1.00 1.83 H +ATOM 397 HD13 LEU A 25 -12.019 4.860 0.114 1.00 1.97 H +ATOM 398 HD21 LEU A 25 -10.735 8.462 -0.545 1.00 1.59 H +ATOM 399 HD22 LEU A 25 -9.862 7.005 -0.068 1.00 1.55 H +ATOM 400 HD23 LEU A 25 -10.935 6.972 -1.467 1.00 1.62 H +ATOM 401 N SER A 26 -14.439 10.469 0.552 1.00 0.81 N +ATOM 402 CA SER A 26 -15.464 11.512 0.844 1.00 0.91 C +ATOM 403 C SER A 26 -16.758 10.862 1.337 1.00 0.91 C +ATOM 404 O SER A 26 -17.451 11.395 2.181 1.00 1.11 O +ATOM 405 CB SER A 26 -15.701 12.217 -0.490 1.00 1.04 C +ATOM 406 OG SER A 26 -15.451 13.606 -0.336 1.00 1.45 O +ATOM 407 H SER A 26 -14.649 9.735 -0.061 1.00 1.21 H +ATOM 408 HA SER A 26 -15.092 12.215 1.572 1.00 1.00 H +ATOM 409 HB2 SER A 26 -15.034 11.815 -1.234 1.00 1.46 H +ATOM 410 HB3 SER A 26 -16.725 12.056 -0.802 1.00 1.44 H +ATOM 411 HG SER A 26 -15.533 14.019 -1.199 1.00 1.73 H +ATOM 412 N GLU A 27 -17.092 9.716 0.813 1.00 0.97 N +ATOM 413 CA GLU A 27 -18.345 9.035 1.246 1.00 1.07 C +ATOM 414 C GLU A 27 -18.036 7.624 1.754 1.00 0.89 C +ATOM 415 O GLU A 27 -17.266 6.902 1.152 1.00 1.04 O +ATOM 416 CB GLU A 27 -19.211 8.977 -0.012 1.00 1.54 C +ATOM 417 CG GLU A 27 -19.489 10.397 -0.505 1.00 1.90 C +ATOM 418 CD GLU A 27 -20.743 10.400 -1.380 1.00 2.46 C +ATOM 419 OE1 GLU A 27 -21.125 9.334 -1.838 1.00 2.70 O +ATOM 420 OE2 GLU A 27 -21.301 11.466 -1.579 1.00 3.06 O +ATOM 421 H GLU A 27 -16.522 9.305 0.130 1.00 1.13 H +ATOM 422 HA GLU A 27 -18.843 9.611 2.010 1.00 1.21 H +ATOM 423 HB2 GLU A 27 -18.692 8.422 -0.779 1.00 1.66 H +ATOM 424 HB3 GLU A 27 -20.147 8.488 0.217 1.00 1.80 H +ATOM 425 HG2 GLU A 27 -19.639 11.051 0.342 1.00 2.01 H +ATOM 426 HG3 GLU A 27 -18.648 10.748 -1.084 1.00 1.89 H +ATOM 427 N PRO A 28 -18.653 7.281 2.852 1.00 0.96 N +ATOM 428 CA PRO A 28 -18.446 5.942 3.455 1.00 1.03 C +ATOM 429 C PRO A 28 -19.162 4.868 2.631 1.00 1.15 C +ATOM 430 O PRO A 28 -19.700 5.138 1.576 1.00 1.62 O +ATOM 431 CB PRO A 28 -19.070 6.073 4.841 1.00 1.33 C +ATOM 432 CG PRO A 28 -20.076 7.173 4.713 1.00 1.51 C +ATOM 433 CD PRO A 28 -19.591 8.100 3.626 1.00 1.34 C +ATOM 434 HA PRO A 28 -17.394 5.720 3.541 1.00 1.20 H +ATOM 435 HB2 PRO A 28 -19.553 5.148 5.122 1.00 1.39 H +ATOM 436 HB3 PRO A 28 -18.319 6.343 5.567 1.00 1.60 H +ATOM 437 HG2 PRO A 28 -21.040 6.760 4.447 1.00 1.60 H +ATOM 438 HG3 PRO A 28 -20.151 7.714 5.643 1.00 1.88 H +ATOM 439 HD2 PRO A 28 -20.418 8.421 3.009 1.00 1.54 H +ATOM 440 HD3 PRO A 28 -19.080 8.949 4.051 1.00 1.52 H +ATOM 441 N ASP A 29 -19.172 3.653 3.105 1.00 1.35 N +ATOM 442 CA ASP A 29 -19.853 2.564 2.348 1.00 1.64 C +ATOM 443 C ASP A 29 -19.124 2.306 1.026 1.00 1.47 C +ATOM 444 O ASP A 29 -19.456 2.872 0.002 1.00 2.02 O +ATOM 445 CB ASP A 29 -21.269 3.084 2.091 1.00 2.40 C +ATOM 446 CG ASP A 29 -22.018 2.103 1.189 1.00 3.19 C +ATOM 447 OD1 ASP A 29 -22.218 0.974 1.610 1.00 3.67 O +ATOM 448 OD2 ASP A 29 -22.381 2.495 0.092 1.00 3.73 O +ATOM 449 H ASP A 29 -18.733 3.455 3.959 1.00 1.65 H +ATOM 450 HA ASP A 29 -19.893 1.663 2.938 1.00 1.96 H +ATOM 451 HB2 ASP A 29 -21.791 3.181 3.032 1.00 2.79 H +ATOM 452 HB3 ASP A 29 -21.215 4.048 1.607 1.00 2.43 H +ATOM 453 N VAL A 30 -18.132 1.458 1.041 1.00 1.55 N +ATOM 454 CA VAL A 30 -17.381 1.164 -0.214 1.00 1.84 C +ATOM 455 C VAL A 30 -16.294 0.119 0.053 1.00 1.33 C +ATOM 456 O VAL A 30 -16.125 -0.346 1.163 1.00 1.84 O +ATOM 457 CB VAL A 30 -16.752 2.495 -0.623 1.00 2.98 C +ATOM 458 CG1 VAL A 30 -15.427 2.231 -1.342 1.00 3.65 C +ATOM 459 CG2 VAL A 30 -17.700 3.244 -1.563 1.00 3.70 C +ATOM 460 H VAL A 30 -17.882 1.014 1.878 1.00 1.95 H +ATOM 461 HA VAL A 30 -18.053 0.821 -0.985 1.00 2.24 H +ATOM 462 HB VAL A 30 -16.568 3.092 0.260 1.00 3.47 H +ATOM 463 HG11 VAL A 30 -14.881 1.461 -0.818 1.00 4.01 H +ATOM 464 HG12 VAL A 30 -15.626 1.907 -2.354 1.00 3.96 H +ATOM 465 HG13 VAL A 30 -14.841 3.138 -1.363 1.00 4.03 H +ATOM 466 HG21 VAL A 30 -18.477 2.574 -1.899 1.00 3.97 H +ATOM 467 HG22 VAL A 30 -18.144 4.076 -1.036 1.00 4.05 H +ATOM 468 HG23 VAL A 30 -17.147 3.612 -2.414 1.00 4.15 H +ATOM 469 N HIS A 31 -15.555 -0.251 -0.955 1.00 1.10 N +ATOM 470 CA HIS A 31 -14.477 -1.263 -0.758 1.00 1.19 C +ATOM 471 C HIS A 31 -13.515 -1.238 -1.948 1.00 1.01 C +ATOM 472 O HIS A 31 -13.745 -1.874 -2.958 1.00 1.46 O +ATOM 473 CB HIS A 31 -15.202 -2.606 -0.683 1.00 1.81 C +ATOM 474 CG HIS A 31 -16.264 -2.660 -1.746 1.00 2.15 C +ATOM 475 ND1 HIS A 31 -17.357 -3.507 -1.655 1.00 2.84 N +ATOM 476 CD2 HIS A 31 -16.415 -1.976 -2.925 1.00 2.85 C +ATOM 477 CE1 HIS A 31 -18.112 -3.310 -2.752 1.00 3.56 C +ATOM 478 NE2 HIS A 31 -17.582 -2.388 -3.560 1.00 3.64 N +ATOM 479 H HIS A 31 -15.705 0.137 -1.842 1.00 1.55 H +ATOM 480 HA HIS A 31 -13.948 -1.076 0.162 1.00 1.62 H +ATOM 481 HB2 HIS A 31 -14.496 -3.407 -0.838 1.00 2.29 H +ATOM 482 HB3 HIS A 31 -15.661 -2.713 0.289 1.00 2.44 H +ATOM 483 HD1 HIS A 31 -17.546 -4.135 -0.928 1.00 3.17 H +ATOM 484 HD2 HIS A 31 -15.729 -1.233 -3.305 1.00 3.20 H +ATOM 485 HE1 HIS A 31 -19.034 -3.836 -2.956 1.00 4.33 H +ATOM 486 N GLY A 32 -12.438 -0.509 -1.837 1.00 0.83 N +ATOM 487 CA GLY A 32 -11.465 -0.444 -2.963 1.00 0.73 C +ATOM 488 C GLY A 32 -10.480 -1.606 -2.853 1.00 0.64 C +ATOM 489 O GLY A 32 -10.752 -2.604 -2.216 1.00 0.84 O +ATOM 490 H GLY A 32 -12.273 -0.002 -1.014 1.00 1.16 H +ATOM 491 HA2 GLY A 32 -11.998 -0.505 -3.902 1.00 0.85 H +ATOM 492 HA3 GLY A 32 -10.923 0.489 -2.916 1.00 0.83 H +ATOM 493 N GLN A 33 -9.337 -1.488 -3.470 1.00 0.53 N +ATOM 494 CA GLN A 33 -8.334 -2.589 -3.401 1.00 0.54 C +ATOM 495 C GLN A 33 -6.936 -2.051 -3.717 1.00 0.51 C +ATOM 496 O GLN A 33 -6.715 -1.424 -4.733 1.00 0.56 O +ATOM 497 CB GLN A 33 -8.775 -3.593 -4.467 1.00 0.67 C +ATOM 498 CG GLN A 33 -8.482 -5.013 -3.979 1.00 1.03 C +ATOM 499 CD GLN A 33 -9.432 -5.997 -4.664 1.00 1.69 C +ATOM 500 OE1 GLN A 33 -10.066 -5.663 -5.646 1.00 2.38 O +ATOM 501 NE2 GLN A 33 -9.558 -7.204 -4.187 1.00 2.23 N +ATOM 502 H GLN A 33 -9.137 -0.675 -3.980 1.00 0.61 H +ATOM 503 HA GLN A 33 -8.351 -3.053 -2.428 1.00 0.59 H +ATOM 504 HB2 GLN A 33 -9.835 -3.485 -4.648 1.00 1.13 H +ATOM 505 HB3 GLN A 33 -8.233 -3.411 -5.381 1.00 1.05 H +ATOM 506 HG2 GLN A 33 -7.460 -5.271 -4.217 1.00 1.57 H +ATOM 507 HG3 GLN A 33 -8.626 -5.063 -2.910 1.00 1.49 H +ATOM 508 HE21 GLN A 33 -9.047 -7.474 -3.395 1.00 2.41 H +ATOM 509 HE22 GLN A 33 -10.164 -7.842 -4.619 1.00 2.82 H +ATOM 510 N TRP A 34 -5.990 -2.294 -2.852 1.00 0.53 N +ATOM 511 CA TRP A 34 -4.607 -1.798 -3.105 1.00 0.52 C +ATOM 512 C TRP A 34 -3.886 -2.724 -4.087 1.00 0.64 C +ATOM 513 O TRP A 34 -4.248 -3.872 -4.253 1.00 0.77 O +ATOM 514 CB TRP A 34 -3.923 -1.819 -1.743 1.00 0.51 C +ATOM 515 CG TRP A 34 -4.684 -0.977 -0.791 1.00 0.43 C +ATOM 516 CD1 TRP A 34 -5.960 -1.171 -0.424 1.00 0.47 C +ATOM 517 CD2 TRP A 34 -4.224 0.189 -0.086 1.00 0.38 C +ATOM 518 NE1 TRP A 34 -6.320 -0.181 0.479 1.00 0.47 N +ATOM 519 CE2 TRP A 34 -5.270 0.687 0.716 1.00 0.40 C +ATOM 520 CE3 TRP A 34 -3.000 0.847 -0.079 1.00 0.39 C +ATOM 521 CZ2 TRP A 34 -5.098 1.821 1.513 1.00 0.42 C +ATOM 522 CZ3 TRP A 34 -2.810 1.989 0.716 1.00 0.39 C +ATOM 523 CH2 TRP A 34 -3.861 2.477 1.513 1.00 0.40 C +ATOM 524 H TRP A 34 -6.187 -2.802 -2.038 1.00 0.61 H +ATOM 525 HA TRP A 34 -4.629 -0.788 -3.484 1.00 0.48 H +ATOM 526 HB2 TRP A 34 -3.868 -2.821 -1.369 1.00 0.60 H +ATOM 527 HB3 TRP A 34 -2.935 -1.425 -1.840 1.00 0.52 H +ATOM 528 HD1 TRP A 34 -6.587 -1.967 -0.777 1.00 0.54 H +ATOM 529 HE1 TRP A 34 -7.199 -0.091 0.902 1.00 0.54 H +ATOM 530 HE3 TRP A 34 -2.198 0.462 -0.695 1.00 0.45 H +ATOM 531 HZ2 TRP A 34 -5.911 2.189 2.121 1.00 0.49 H +ATOM 532 HZ3 TRP A 34 -1.855 2.494 0.716 1.00 0.45 H +ATOM 533 HH2 TRP A 34 -3.713 3.355 2.123 1.00 0.45 H +ATOM 534 N LYS A 35 -2.867 -2.235 -4.742 1.00 0.68 N +ATOM 535 CA LYS A 35 -2.126 -3.090 -5.714 1.00 0.83 C +ATOM 536 C LYS A 35 -0.727 -2.518 -5.963 1.00 0.72 C +ATOM 537 O LYS A 35 -0.570 -1.356 -6.284 1.00 1.04 O +ATOM 538 CB LYS A 35 -2.963 -3.050 -6.994 1.00 1.00 C +ATOM 539 CG LYS A 35 -2.041 -3.055 -8.216 1.00 1.39 C +ATOM 540 CD LYS A 35 -2.847 -3.446 -9.459 1.00 2.04 C +ATOM 541 CE LYS A 35 -3.107 -2.201 -10.311 1.00 2.49 C +ATOM 542 NZ LYS A 35 -4.448 -2.429 -10.922 1.00 3.08 N +ATOM 543 H LYS A 35 -2.591 -1.306 -4.595 1.00 0.68 H +ATOM 544 HA LYS A 35 -2.058 -4.103 -5.349 1.00 0.98 H +ATOM 545 HB2 LYS A 35 -3.609 -3.916 -7.027 1.00 1.34 H +ATOM 546 HB3 LYS A 35 -3.564 -2.153 -7.003 1.00 1.39 H +ATOM 547 HG2 LYS A 35 -1.621 -2.069 -8.353 1.00 1.65 H +ATOM 548 HG3 LYS A 35 -1.246 -3.768 -8.065 1.00 1.52 H +ATOM 549 HD2 LYS A 35 -2.288 -4.169 -10.038 1.00 2.61 H +ATOM 550 HD3 LYS A 35 -3.789 -3.877 -9.158 1.00 2.30 H +ATOM 551 HE2 LYS A 35 -3.120 -1.317 -9.689 1.00 2.88 H +ATOM 552 HE3 LYS A 35 -2.360 -2.109 -11.083 1.00 2.74 H +ATOM 553 HZ1 LYS A 35 -4.641 -3.452 -10.961 1.00 3.56 H +ATOM 554 HZ2 LYS A 35 -5.175 -1.960 -10.347 1.00 3.32 H +ATOM 555 HZ3 LYS A 35 -4.463 -2.036 -11.884 1.00 3.31 H +ATOM 556 N LEU A 36 0.290 -3.324 -5.817 1.00 0.51 N +ATOM 557 CA LEU A 36 1.678 -2.826 -6.045 1.00 0.55 C +ATOM 558 C LEU A 36 1.788 -2.193 -7.434 1.00 0.59 C +ATOM 559 O LEU A 36 0.798 -1.849 -8.050 1.00 0.79 O +ATOM 560 CB LEU A 36 2.568 -4.065 -5.947 1.00 0.65 C +ATOM 561 CG LEU A 36 2.651 -4.523 -4.489 1.00 0.84 C +ATOM 562 CD1 LEU A 36 2.847 -6.039 -4.441 1.00 1.10 C +ATOM 563 CD2 LEU A 36 3.835 -3.835 -3.805 1.00 1.06 C +ATOM 564 H LEU A 36 0.141 -4.258 -5.557 1.00 0.62 H +ATOM 565 HA LEU A 36 1.952 -2.114 -5.283 1.00 0.63 H +ATOM 566 HB2 LEU A 36 2.149 -4.858 -6.551 1.00 0.81 H +ATOM 567 HB3 LEU A 36 3.559 -3.827 -6.304 1.00 0.81 H +ATOM 568 HG LEU A 36 1.736 -4.262 -3.979 1.00 1.05 H +ATOM 569 HD11 LEU A 36 3.604 -6.328 -5.155 1.00 1.47 H +ATOM 570 HD12 LEU A 36 3.158 -6.331 -3.450 1.00 1.49 H +ATOM 571 HD13 LEU A 36 1.916 -6.530 -4.685 1.00 1.70 H +ATOM 572 HD21 LEU A 36 4.582 -3.584 -4.544 1.00 1.49 H +ATOM 573 HD22 LEU A 36 3.493 -2.933 -3.318 1.00 1.52 H +ATOM 574 HD23 LEU A 36 4.264 -4.502 -3.072 1.00 1.58 H +ATOM 575 N LYS A 37 2.983 -2.033 -7.934 1.00 0.75 N +ATOM 576 CA LYS A 37 3.147 -1.420 -9.284 1.00 0.90 C +ATOM 577 C LYS A 37 1.816 -1.458 -10.039 1.00 0.90 C +ATOM 578 O LYS A 37 1.540 -0.620 -10.874 1.00 1.17 O +ATOM 579 CB LYS A 37 4.191 -2.285 -9.991 1.00 1.11 C +ATOM 580 CG LYS A 37 4.662 -1.578 -11.266 1.00 1.20 C +ATOM 581 CD LYS A 37 4.941 -2.617 -12.353 1.00 1.66 C +ATOM 582 CE LYS A 37 6.277 -2.308 -13.033 1.00 2.06 C +ATOM 583 NZ LYS A 37 6.367 -0.821 -13.057 1.00 2.88 N +ATOM 584 H LYS A 37 3.771 -2.315 -7.424 1.00 0.93 H +ATOM 585 HA LYS A 37 3.504 -0.406 -9.196 1.00 1.05 H +ATOM 586 HB2 LYS A 37 5.033 -2.442 -9.332 1.00 1.35 H +ATOM 587 HB3 LYS A 37 3.754 -3.237 -10.250 1.00 1.34 H +ATOM 588 HG2 LYS A 37 3.894 -0.899 -11.606 1.00 1.53 H +ATOM 589 HG3 LYS A 37 5.566 -1.025 -11.060 1.00 1.40 H +ATOM 590 HD2 LYS A 37 4.982 -3.601 -11.909 1.00 1.96 H +ATOM 591 HD3 LYS A 37 4.150 -2.587 -13.089 1.00 2.24 H +ATOM 592 HE2 LYS A 37 7.093 -2.728 -12.463 1.00 2.44 H +ATOM 593 HE3 LYS A 37 6.283 -2.692 -14.041 1.00 2.29 H +ATOM 594 HZ1 LYS A 37 5.414 -0.413 -12.981 1.00 3.28 H +ATOM 595 HZ2 LYS A 37 6.945 -0.495 -12.257 1.00 3.34 H +ATOM 596 HZ3 LYS A 37 6.805 -0.515 -13.950 1.00 3.20 H +ATOM 597 N GLY A 38 0.988 -2.426 -9.749 1.00 0.82 N +ATOM 598 CA GLY A 38 -0.324 -2.518 -10.448 1.00 1.05 C +ATOM 599 C GLY A 38 -0.787 -3.976 -10.478 1.00 1.00 C +ATOM 600 O GLY A 38 -1.418 -4.417 -11.418 1.00 1.37 O +ATOM 601 H GLY A 38 1.230 -3.090 -9.071 1.00 0.81 H +ATOM 602 HA2 GLY A 38 -1.053 -1.918 -9.920 1.00 1.31 H +ATOM 603 HA3 GLY A 38 -0.221 -2.154 -11.459 1.00 1.38 H +ATOM 604 N GLN A 39 -0.481 -4.727 -9.455 1.00 0.93 N +ATOM 605 CA GLN A 39 -0.905 -6.158 -9.423 1.00 1.29 C +ATOM 606 C GLN A 39 -1.845 -6.401 -8.237 1.00 1.08 C +ATOM 607 O GLN A 39 -1.440 -6.303 -7.096 1.00 0.92 O +ATOM 608 CB GLN A 39 0.390 -6.950 -9.246 1.00 1.74 C +ATOM 609 CG GLN A 39 0.799 -7.579 -10.580 1.00 2.31 C +ATOM 610 CD GLN A 39 0.297 -9.023 -10.639 1.00 2.97 C +ATOM 611 OE1 GLN A 39 -0.888 -9.272 -10.536 1.00 3.59 O +ATOM 612 NE2 GLN A 39 1.154 -9.994 -10.804 1.00 3.33 N +ATOM 613 H GLN A 39 0.027 -4.350 -8.707 1.00 0.93 H +ATOM 614 HA GLN A 39 -1.384 -6.432 -10.350 1.00 1.59 H +ATOM 615 HB2 GLN A 39 1.174 -6.287 -8.906 1.00 1.84 H +ATOM 616 HB3 GLN A 39 0.237 -7.730 -8.515 1.00 2.21 H +ATOM 617 HG2 GLN A 39 0.366 -7.012 -11.391 1.00 2.59 H +ATOM 618 HG3 GLN A 39 1.873 -7.570 -10.667 1.00 2.64 H +ATOM 619 HE21 GLN A 39 2.111 -9.794 -10.888 1.00 3.31 H +ATOM 620 HE22 GLN A 39 0.843 -10.921 -10.845 1.00 3.88 H +ATOM 621 N PRO A 40 -3.076 -6.713 -8.550 1.00 1.23 N +ATOM 622 CA PRO A 40 -4.086 -6.976 -7.496 1.00 1.15 C +ATOM 623 C PRO A 40 -3.826 -8.331 -6.835 1.00 1.25 C +ATOM 624 O PRO A 40 -4.361 -9.344 -7.241 1.00 1.63 O +ATOM 625 CB PRO A 40 -5.407 -6.990 -8.258 1.00 1.53 C +ATOM 626 CG PRO A 40 -5.040 -7.349 -9.663 1.00 1.83 C +ATOM 627 CD PRO A 40 -3.636 -6.850 -9.899 1.00 1.59 C +ATOM 628 HA PRO A 40 -4.089 -6.185 -6.763 1.00 0.96 H +ATOM 629 HB2 PRO A 40 -6.073 -7.732 -7.840 1.00 1.65 H +ATOM 630 HB3 PRO A 40 -5.865 -6.014 -8.235 1.00 1.59 H +ATOM 631 HG2 PRO A 40 -5.080 -8.423 -9.789 1.00 2.06 H +ATOM 632 HG3 PRO A 40 -5.715 -6.870 -10.355 1.00 2.07 H +ATOM 633 HD2 PRO A 40 -3.072 -7.571 -10.476 1.00 1.77 H +ATOM 634 HD3 PRO A 40 -3.651 -5.893 -10.394 1.00 1.60 H +ATOM 635 N LEU A 41 -3.010 -8.359 -5.820 1.00 1.11 N +ATOM 636 CA LEU A 41 -2.718 -9.649 -5.136 1.00 1.44 C +ATOM 637 C LEU A 41 -3.953 -10.124 -4.365 1.00 1.58 C +ATOM 638 O LEU A 41 -5.042 -10.189 -4.900 1.00 1.96 O +ATOM 639 CB LEU A 41 -1.570 -9.339 -4.176 1.00 1.74 C +ATOM 640 CG LEU A 41 -1.938 -8.136 -3.307 1.00 2.11 C +ATOM 641 CD1 LEU A 41 -1.174 -8.210 -1.983 1.00 2.57 C +ATOM 642 CD2 LEU A 41 -1.565 -6.845 -4.039 1.00 2.90 C +ATOM 643 H LEU A 41 -2.588 -7.531 -5.507 1.00 0.94 H +ATOM 644 HA LEU A 41 -2.411 -10.394 -5.852 1.00 1.75 H +ATOM 645 HB2 LEU A 41 -1.387 -10.197 -3.546 1.00 2.15 H +ATOM 646 HB3 LEU A 41 -0.679 -9.112 -4.742 1.00 2.12 H +ATOM 647 HG LEU A 41 -3.000 -8.147 -3.111 1.00 2.30 H +ATOM 648 HD11 LEU A 41 -0.346 -8.897 -2.083 1.00 3.10 H +ATOM 649 HD12 LEU A 41 -0.799 -7.230 -1.729 1.00 2.88 H +ATOM 650 HD13 LEU A 41 -1.836 -8.555 -1.204 1.00 2.75 H +ATOM 651 HD21 LEU A 41 -1.497 -7.039 -5.100 1.00 3.45 H +ATOM 652 HD22 LEU A 41 -2.322 -6.096 -3.859 1.00 3.16 H +ATOM 653 HD23 LEU A 41 -0.611 -6.488 -3.676 1.00 3.29 H +ATOM 654 N THR A 42 -3.794 -10.453 -3.113 1.00 1.78 N +ATOM 655 CA THR A 42 -4.959 -10.919 -2.309 1.00 2.19 C +ATOM 656 C THR A 42 -4.591 -10.956 -0.823 1.00 1.94 C +ATOM 657 O THR A 42 -3.784 -11.755 -0.392 1.00 2.00 O +ATOM 658 CB THR A 42 -5.263 -12.324 -2.830 1.00 2.91 C +ATOM 659 OG1 THR A 42 -4.150 -12.804 -3.571 1.00 3.28 O +ATOM 660 CG2 THR A 42 -6.496 -12.278 -3.733 1.00 3.51 C +ATOM 661 H THR A 42 -2.907 -10.391 -2.700 1.00 1.97 H +ATOM 662 HA THR A 42 -5.809 -10.275 -2.471 1.00 2.44 H +ATOM 663 HB THR A 42 -5.455 -12.985 -1.998 1.00 3.25 H +ATOM 664 HG1 THR A 42 -4.484 -13.260 -4.346 1.00 3.68 H +ATOM 665 HG21 THR A 42 -7.150 -11.482 -3.406 1.00 4.03 H +ATOM 666 HG22 THR A 42 -6.190 -12.095 -4.752 1.00 3.75 H +ATOM 667 HG23 THR A 42 -7.021 -13.219 -3.677 1.00 3.72 H +ATOM 668 N ALA A 43 -5.178 -10.095 -0.037 1.00 2.15 N +ATOM 669 CA ALA A 43 -4.863 -10.075 1.420 1.00 2.22 C +ATOM 670 C ALA A 43 -4.656 -11.500 1.937 1.00 1.78 C +ATOM 671 O ALA A 43 -5.584 -12.277 2.035 1.00 2.10 O +ATOM 672 CB ALA A 43 -6.084 -9.440 2.081 1.00 3.09 C +ATOM 673 H ALA A 43 -5.826 -9.458 -0.405 1.00 2.53 H +ATOM 674 HA ALA A 43 -3.987 -9.475 1.608 1.00 2.40 H +ATOM 675 HB1 ALA A 43 -6.643 -8.883 1.344 1.00 3.47 H +ATOM 676 HB2 ALA A 43 -6.710 -10.215 2.499 1.00 3.46 H +ATOM 677 HB3 ALA A 43 -5.762 -8.774 2.868 1.00 3.47 H +ATOM 678 N SER A 44 -3.444 -11.846 2.271 1.00 1.44 N +ATOM 679 CA SER A 44 -3.177 -13.218 2.786 1.00 1.63 C +ATOM 680 C SER A 44 -2.379 -13.143 4.089 1.00 1.53 C +ATOM 681 O SER A 44 -2.589 -12.260 4.896 1.00 1.90 O +ATOM 682 CB SER A 44 -2.351 -13.897 1.692 1.00 2.28 C +ATOM 683 OG SER A 44 -3.078 -13.876 0.470 1.00 2.92 O +ATOM 684 H SER A 44 -2.711 -11.202 2.186 1.00 1.46 H +ATOM 685 HA SER A 44 -4.102 -13.753 2.936 1.00 2.10 H +ATOM 686 HB2 SER A 44 -1.422 -13.367 1.560 1.00 2.66 H +ATOM 687 HB3 SER A 44 -2.143 -14.918 1.983 1.00 2.59 H +ATOM 688 HG SER A 44 -3.685 -14.618 0.474 1.00 3.30 H +ATOM 689 N PRO A 45 -1.484 -14.079 4.246 1.00 1.69 N +ATOM 690 CA PRO A 45 -0.636 -14.124 5.460 1.00 2.18 C +ATOM 691 C PRO A 45 0.411 -13.009 5.413 1.00 1.86 C +ATOM 692 O PRO A 45 0.923 -12.580 6.427 1.00 2.05 O +ATOM 693 CB PRO A 45 0.023 -15.499 5.383 1.00 2.85 C +ATOM 694 CG PRO A 45 0.013 -15.853 3.930 1.00 2.74 C +ATOM 695 CD PRO A 45 -1.180 -15.169 3.314 1.00 2.08 C +ATOM 696 HA PRO A 45 -1.238 -14.049 6.351 1.00 2.60 H +ATOM 697 HB2 PRO A 45 1.038 -15.450 5.754 1.00 3.16 H +ATOM 698 HB3 PRO A 45 -0.550 -16.222 5.942 1.00 3.33 H +ATOM 699 HG2 PRO A 45 0.924 -15.507 3.460 1.00 2.80 H +ATOM 700 HG3 PRO A 45 -0.081 -16.923 3.811 1.00 3.30 H +ATOM 701 HD2 PRO A 45 -0.930 -14.779 2.337 1.00 2.08 H +ATOM 702 HD3 PRO A 45 -2.016 -15.848 3.252 1.00 2.28 H +ATOM 703 N ASP A 46 0.729 -12.534 4.240 1.00 1.57 N +ATOM 704 CA ASP A 46 1.740 -11.445 4.125 1.00 1.48 C +ATOM 705 C ASP A 46 1.050 -10.120 3.786 1.00 1.31 C +ATOM 706 O ASP A 46 1.692 -9.121 3.533 1.00 1.68 O +ATOM 707 CB ASP A 46 2.663 -11.877 2.985 1.00 1.62 C +ATOM 708 CG ASP A 46 4.074 -12.111 3.529 1.00 2.00 C +ATOM 709 OD1 ASP A 46 4.732 -11.137 3.853 1.00 2.60 O +ATOM 710 OD2 ASP A 46 4.475 -13.262 3.608 1.00 2.53 O +ATOM 711 H ASP A 46 0.302 -12.893 3.433 1.00 1.60 H +ATOM 712 HA ASP A 46 2.302 -11.354 5.042 1.00 1.64 H +ATOM 713 HB2 ASP A 46 2.288 -12.792 2.549 1.00 1.93 H +ATOM 714 HB3 ASP A 46 2.692 -11.105 2.233 1.00 2.04 H +ATOM 715 N CYS A 47 -0.256 -10.106 3.782 1.00 0.97 N +ATOM 716 CA CYS A 47 -0.989 -8.847 3.461 1.00 0.84 C +ATOM 717 C CYS A 47 -1.999 -8.532 4.567 1.00 0.82 C +ATOM 718 O CYS A 47 -2.847 -9.338 4.893 1.00 1.03 O +ATOM 719 CB CYS A 47 -1.708 -9.132 2.143 1.00 0.94 C +ATOM 720 SG CYS A 47 -1.955 -7.580 1.245 1.00 1.34 S +ATOM 721 H CYS A 47 -0.755 -10.923 3.989 1.00 1.04 H +ATOM 722 HA CYS A 47 -0.297 -8.029 3.336 1.00 0.80 H +ATOM 723 HB2 CYS A 47 -1.109 -9.804 1.544 1.00 1.25 H +ATOM 724 HB3 CYS A 47 -2.665 -9.588 2.346 1.00 1.13 H +ATOM 725 HG CYS A 47 -2.038 -6.875 1.891 1.00 1.83 H +ATOM 726 N GLU A 48 -1.913 -7.367 5.147 1.00 0.68 N +ATOM 727 CA GLU A 48 -2.868 -7.005 6.233 1.00 0.75 C +ATOM 728 C GLU A 48 -3.669 -5.758 5.844 1.00 0.70 C +ATOM 729 O GLU A 48 -3.296 -4.646 6.156 1.00 0.95 O +ATOM 730 CB GLU A 48 -1.986 -6.723 7.449 1.00 0.80 C +ATOM 731 CG GLU A 48 -2.106 -7.877 8.445 1.00 1.64 C +ATOM 732 CD GLU A 48 -2.174 -7.320 9.868 1.00 1.67 C +ATOM 733 OE1 GLU A 48 -3.236 -6.860 10.252 1.00 2.19 O +ATOM 734 OE2 GLU A 48 -1.162 -7.363 10.549 1.00 1.98 O +ATOM 735 H GLU A 48 -1.221 -6.731 4.871 1.00 0.64 H +ATOM 736 HA GLU A 48 -3.531 -7.830 6.443 1.00 0.88 H +ATOM 737 HB2 GLU A 48 -0.957 -6.626 7.131 1.00 1.17 H +ATOM 738 HB3 GLU A 48 -2.303 -5.807 7.922 1.00 0.77 H +ATOM 739 HG2 GLU A 48 -3.004 -8.441 8.235 1.00 2.23 H +ATOM 740 HG3 GLU A 48 -1.245 -8.523 8.354 1.00 2.28 H +ATOM 741 N ILE A 49 -4.770 -5.939 5.164 1.00 0.74 N +ATOM 742 CA ILE A 49 -5.597 -4.766 4.752 1.00 0.73 C +ATOM 743 C ILE A 49 -6.771 -4.579 5.716 1.00 0.76 C +ATOM 744 O ILE A 49 -7.654 -5.409 5.802 1.00 0.99 O +ATOM 745 CB ILE A 49 -6.107 -5.113 3.354 1.00 0.89 C +ATOM 746 CG1 ILE A 49 -5.047 -4.736 2.319 1.00 1.20 C +ATOM 747 CG2 ILE A 49 -7.394 -4.336 3.069 1.00 1.55 C +ATOM 748 CD1 ILE A 49 -5.492 -5.213 0.934 1.00 1.92 C +ATOM 749 H ILE A 49 -5.053 -6.846 4.922 1.00 0.99 H +ATOM 750 HA ILE A 49 -4.993 -3.874 4.712 1.00 0.71 H +ATOM 751 HB ILE A 49 -6.307 -6.173 3.298 1.00 1.53 H +ATOM 752 HG12 ILE A 49 -4.921 -3.663 2.307 1.00 1.42 H +ATOM 753 HG13 ILE A 49 -4.110 -5.207 2.575 1.00 1.72 H +ATOM 754 HG21 ILE A 49 -7.523 -3.567 3.817 1.00 2.10 H +ATOM 755 HG22 ILE A 49 -7.331 -3.881 2.092 1.00 2.04 H +ATOM 756 HG23 ILE A 49 -8.237 -5.012 3.098 1.00 2.04 H +ATOM 757 HD11 ILE A 49 -6.095 -6.103 1.037 1.00 2.51 H +ATOM 758 HD12 ILE A 49 -6.073 -4.439 0.455 1.00 2.24 H +ATOM 759 HD13 ILE A 49 -4.623 -5.435 0.332 1.00 2.31 H +ATOM 760 N ILE A 50 -6.790 -3.492 6.437 1.00 0.72 N +ATOM 761 CA ILE A 50 -7.910 -3.250 7.391 1.00 0.82 C +ATOM 762 C ILE A 50 -8.593 -1.919 7.069 1.00 0.80 C +ATOM 763 O ILE A 50 -8.079 -0.859 7.368 1.00 0.88 O +ATOM 764 CB ILE A 50 -7.253 -3.196 8.770 1.00 0.92 C +ATOM 765 CG1 ILE A 50 -7.756 -4.365 9.621 1.00 1.65 C +ATOM 766 CG2 ILE A 50 -7.613 -1.878 9.458 1.00 1.61 C +ATOM 767 CD1 ILE A 50 -6.937 -4.446 10.912 1.00 2.18 C +ATOM 768 H ILE A 50 -6.069 -2.834 6.351 1.00 0.78 H +ATOM 769 HA ILE A 50 -8.621 -4.060 7.352 1.00 0.93 H +ATOM 770 HB ILE A 50 -6.180 -3.264 8.660 1.00 1.48 H +ATOM 771 HG12 ILE A 50 -8.798 -4.209 9.864 1.00 2.08 H +ATOM 772 HG13 ILE A 50 -7.647 -5.286 9.069 1.00 2.35 H +ATOM 773 HG21 ILE A 50 -8.222 -1.281 8.796 1.00 2.12 H +ATOM 774 HG22 ILE A 50 -8.162 -2.084 10.365 1.00 2.15 H +ATOM 775 HG23 ILE A 50 -6.709 -1.339 9.699 1.00 2.15 H +ATOM 776 HD11 ILE A 50 -6.062 -3.818 10.823 1.00 2.60 H +ATOM 777 HD12 ILE A 50 -7.539 -4.110 11.742 1.00 2.52 H +ATOM 778 HD13 ILE A 50 -6.631 -5.468 11.080 1.00 2.60 H +ATOM 779 N GLU A 51 -9.745 -1.964 6.458 1.00 0.81 N +ATOM 780 CA GLU A 51 -10.456 -0.697 6.115 1.00 0.87 C +ATOM 781 C GLU A 51 -11.889 -0.730 6.653 1.00 1.12 C +ATOM 782 O GLU A 51 -12.593 -1.709 6.509 1.00 1.35 O +ATOM 783 CB GLU A 51 -10.460 -0.649 4.587 1.00 0.88 C +ATOM 784 CG GLU A 51 -11.219 -1.860 4.040 1.00 1.15 C +ATOM 785 CD GLU A 51 -11.193 -1.832 2.510 1.00 1.52 C +ATOM 786 OE1 GLU A 51 -12.019 -1.144 1.935 1.00 2.21 O +ATOM 787 OE2 GLU A 51 -10.347 -2.501 1.941 1.00 1.95 O +ATOM 788 H GLU A 51 -10.142 -2.829 6.224 1.00 0.88 H +ATOM 789 HA GLU A 51 -9.923 0.153 6.509 1.00 0.86 H +ATOM 790 HB2 GLU A 51 -10.942 0.259 4.256 1.00 1.01 H +ATOM 791 HB3 GLU A 51 -9.443 -0.671 4.222 1.00 0.89 H +ATOM 792 HG2 GLU A 51 -10.752 -2.767 4.393 1.00 1.49 H +ATOM 793 HG3 GLU A 51 -12.244 -1.826 4.381 1.00 1.58 H +ATOM 794 N ASP A 52 -12.326 0.336 7.269 1.00 1.17 N +ATOM 795 CA ASP A 52 -13.715 0.366 7.811 1.00 1.48 C +ATOM 796 C ASP A 52 -14.602 1.261 6.939 1.00 1.34 C +ATOM 797 O ASP A 52 -15.587 1.809 7.394 1.00 1.62 O +ATOM 798 CB ASP A 52 -13.578 0.944 9.222 1.00 1.75 C +ATOM 799 CG ASP A 52 -14.301 0.036 10.218 1.00 2.27 C +ATOM 800 OD1 ASP A 52 -13.916 -1.116 10.327 1.00 2.84 O +ATOM 801 OD2 ASP A 52 -15.227 0.509 10.858 1.00 2.58 O +ATOM 802 H ASP A 52 -11.742 1.115 7.372 1.00 1.08 H +ATOM 803 HA ASP A 52 -14.122 -0.632 7.861 1.00 1.73 H +ATOM 804 HB2 ASP A 52 -12.531 1.006 9.485 1.00 1.80 H +ATOM 805 HB3 ASP A 52 -14.016 1.931 9.252 1.00 1.76 H +ATOM 806 N GLY A 53 -14.262 1.409 5.686 1.00 1.14 N +ATOM 807 CA GLY A 53 -15.084 2.261 4.781 1.00 1.16 C +ATOM 808 C GLY A 53 -14.645 3.719 4.898 1.00 1.04 C +ATOM 809 O GLY A 53 -13.558 4.091 4.500 1.00 1.27 O +ATOM 810 H GLY A 53 -13.467 0.958 5.340 1.00 1.20 H +ATOM 811 HA2 GLY A 53 -14.959 1.930 3.762 1.00 1.27 H +ATOM 812 HA3 GLY A 53 -16.124 2.181 5.060 1.00 1.34 H +ATOM 813 N LYS A 54 -15.489 4.545 5.441 1.00 1.12 N +ATOM 814 CA LYS A 54 -15.141 5.986 5.592 1.00 1.30 C +ATOM 815 C LYS A 54 -13.622 6.156 5.676 1.00 1.07 C +ATOM 816 O LYS A 54 -13.104 7.254 5.600 1.00 1.37 O +ATOM 817 CB LYS A 54 -15.803 6.409 6.904 1.00 1.71 C +ATOM 818 CG LYS A 54 -15.377 5.453 8.020 1.00 1.65 C +ATOM 819 CD LYS A 54 -15.437 6.177 9.366 1.00 2.01 C +ATOM 820 CE LYS A 54 -16.257 5.346 10.357 1.00 2.52 C +ATOM 821 NZ LYS A 54 -16.273 6.150 11.611 1.00 3.02 N +ATOM 822 H LYS A 54 -16.357 4.215 5.751 1.00 1.35 H +ATOM 823 HA LYS A 54 -15.544 6.560 4.772 1.00 1.49 H +ATOM 824 HB2 LYS A 54 -15.499 7.416 7.154 1.00 2.33 H +ATOM 825 HB3 LYS A 54 -16.877 6.374 6.793 1.00 1.99 H +ATOM 826 HG2 LYS A 54 -16.044 4.603 8.038 1.00 1.58 H +ATOM 827 HG3 LYS A 54 -14.368 5.116 7.840 1.00 2.16 H +ATOM 828 HD2 LYS A 54 -14.435 6.308 9.748 1.00 2.54 H +ATOM 829 HD3 LYS A 54 -15.902 7.142 9.238 1.00 2.17 H +ATOM 830 HE2 LYS A 54 -17.262 5.204 9.984 1.00 2.84 H +ATOM 831 HE3 LYS A 54 -15.781 4.394 10.534 1.00 2.94 H +ATOM 832 HZ1 LYS A 54 -16.501 7.138 11.387 1.00 3.35 H +ATOM 833 HZ2 LYS A 54 -16.993 5.769 12.257 1.00 3.21 H +ATOM 834 HZ3 LYS A 54 -15.338 6.101 12.065 1.00 3.44 H +ATOM 835 N LYS A 55 -12.904 5.078 5.836 1.00 0.75 N +ATOM 836 CA LYS A 55 -11.420 5.178 5.929 1.00 0.63 C +ATOM 837 C LYS A 55 -10.759 3.927 5.343 1.00 0.58 C +ATOM 838 O LYS A 55 -11.342 2.862 5.310 1.00 0.81 O +ATOM 839 CB LYS A 55 -11.132 5.287 7.427 1.00 0.85 C +ATOM 840 CG LYS A 55 -10.828 6.740 7.783 1.00 1.23 C +ATOM 841 CD LYS A 55 -9.413 6.837 8.351 1.00 1.57 C +ATOM 842 CE LYS A 55 -9.214 8.211 8.989 1.00 2.04 C +ATOM 843 NZ LYS A 55 -7.794 8.223 9.437 1.00 2.57 N +ATOM 844 H LYS A 55 -13.342 4.204 5.897 1.00 0.84 H +ATOM 845 HA LYS A 55 -11.069 6.063 5.422 1.00 0.62 H +ATOM 846 HB2 LYS A 55 -11.994 4.950 7.985 1.00 1.12 H +ATOM 847 HB3 LYS A 55 -10.280 4.672 7.675 1.00 1.10 H +ATOM 848 HG2 LYS A 55 -10.905 7.351 6.896 1.00 1.62 H +ATOM 849 HG3 LYS A 55 -11.535 7.087 8.522 1.00 1.61 H +ATOM 850 HD2 LYS A 55 -9.270 6.067 9.096 1.00 1.86 H +ATOM 851 HD3 LYS A 55 -8.696 6.705 7.554 1.00 2.01 H +ATOM 852 HE2 LYS A 55 -9.388 8.991 8.261 1.00 2.51 H +ATOM 853 HE3 LYS A 55 -9.870 8.331 9.837 1.00 2.39 H +ATOM 854 HZ1 LYS A 55 -7.359 7.301 9.234 1.00 2.87 H +ATOM 855 HZ2 LYS A 55 -7.276 8.967 8.928 1.00 2.98 H +ATOM 856 HZ3 LYS A 55 -7.755 8.409 10.459 1.00 2.92 H +ATOM 857 N HIS A 56 -9.541 4.050 4.889 1.00 0.46 N +ATOM 858 CA HIS A 56 -8.832 2.871 4.311 1.00 0.44 C +ATOM 859 C HIS A 56 -7.384 2.842 4.807 1.00 0.44 C +ATOM 860 O HIS A 56 -6.634 3.778 4.615 1.00 0.55 O +ATOM 861 CB HIS A 56 -8.875 3.080 2.797 1.00 0.43 C +ATOM 862 CG HIS A 56 -10.279 2.871 2.299 1.00 0.44 C +ATOM 863 ND1 HIS A 56 -10.919 1.644 2.384 1.00 0.51 N +ATOM 864 CD2 HIS A 56 -11.179 3.721 1.706 1.00 0.54 C +ATOM 865 CE1 HIS A 56 -12.148 1.790 1.856 1.00 0.58 C +ATOM 866 NE2 HIS A 56 -12.358 3.038 1.427 1.00 0.58 N +ATOM 867 H HIS A 56 -9.089 4.919 4.930 1.00 0.57 H +ATOM 868 HA HIS A 56 -9.341 1.957 4.573 1.00 0.50 H +ATOM 869 HB2 HIS A 56 -8.558 4.086 2.563 1.00 0.44 H +ATOM 870 HB3 HIS A 56 -8.215 2.374 2.317 1.00 0.49 H +ATOM 871 HD1 HIS A 56 -10.543 0.821 2.760 1.00 0.60 H +ATOM 872 HD2 HIS A 56 -10.999 4.764 1.487 1.00 0.66 H +ATOM 873 HE1 HIS A 56 -12.876 0.994 1.787 1.00 0.70 H +ATOM 874 N ILE A 57 -6.983 1.777 5.450 1.00 0.42 N +ATOM 875 CA ILE A 57 -5.585 1.701 5.962 1.00 0.43 C +ATOM 876 C ILE A 57 -4.922 0.392 5.522 1.00 0.43 C +ATOM 877 O ILE A 57 -5.490 -0.675 5.643 1.00 0.53 O +ATOM 878 CB ILE A 57 -5.719 1.747 7.483 1.00 0.51 C +ATOM 879 CG1 ILE A 57 -6.338 3.082 7.900 1.00 0.56 C +ATOM 880 CG2 ILE A 57 -4.336 1.606 8.125 1.00 0.56 C +ATOM 881 CD1 ILE A 57 -7.053 2.918 9.243 1.00 1.45 C +ATOM 882 H ILE A 57 -7.602 1.033 5.600 1.00 0.47 H +ATOM 883 HA ILE A 57 -5.010 2.547 5.618 1.00 0.44 H +ATOM 884 HB ILE A 57 -6.352 0.935 7.814 1.00 0.56 H +ATOM 885 HG12 ILE A 57 -5.560 3.826 7.995 1.00 1.03 H +ATOM 886 HG13 ILE A 57 -7.049 3.398 7.152 1.00 0.85 H +ATOM 887 HG21 ILE A 57 -3.617 1.320 7.372 1.00 1.23 H +ATOM 888 HG22 ILE A 57 -4.044 2.550 8.560 1.00 0.96 H +ATOM 889 HG23 ILE A 57 -4.372 0.850 8.896 1.00 1.25 H +ATOM 890 HD11 ILE A 57 -6.568 2.142 9.816 1.00 2.04 H +ATOM 891 HD12 ILE A 57 -7.012 3.849 9.789 1.00 1.98 H +ATOM 892 HD13 ILE A 57 -8.085 2.647 9.071 1.00 1.95 H +ATOM 893 N LEU A 58 -3.720 0.467 5.019 1.00 0.37 N +ATOM 894 CA LEU A 58 -3.014 -0.771 4.578 1.00 0.38 C +ATOM 895 C LEU A 58 -1.848 -1.070 5.522 1.00 0.40 C +ATOM 896 O LEU A 58 -1.296 -0.183 6.143 1.00 0.48 O +ATOM 897 CB LEU A 58 -2.502 -0.456 3.172 1.00 0.38 C +ATOM 898 CG LEU A 58 -1.756 -1.670 2.614 1.00 0.41 C +ATOM 899 CD1 LEU A 58 -2.751 -2.611 1.930 1.00 1.04 C +ATOM 900 CD2 LEU A 58 -0.719 -1.202 1.591 1.00 1.09 C +ATOM 901 H LEU A 58 -3.278 1.338 4.934 1.00 0.39 H +ATOM 902 HA LEU A 58 -3.699 -1.604 4.546 1.00 0.40 H +ATOM 903 HB2 LEU A 58 -3.336 -0.219 2.529 1.00 0.45 H +ATOM 904 HB3 LEU A 58 -1.829 0.387 3.214 1.00 0.46 H +ATOM 905 HG LEU A 58 -1.262 -2.192 3.420 1.00 0.93 H +ATOM 906 HD11 LEU A 58 -3.742 -2.432 2.321 1.00 1.57 H +ATOM 907 HD12 LEU A 58 -2.745 -2.430 0.866 1.00 1.60 H +ATOM 908 HD13 LEU A 58 -2.468 -3.636 2.123 1.00 1.66 H +ATOM 909 HD21 LEU A 58 -1.115 -0.365 1.035 1.00 1.77 H +ATOM 910 HD22 LEU A 58 0.181 -0.899 2.104 1.00 1.61 H +ATOM 911 HD23 LEU A 58 -0.492 -2.010 0.912 1.00 1.59 H +ATOM 912 N ILE A 59 -1.468 -2.312 5.639 1.00 0.40 N +ATOM 913 CA ILE A 59 -0.337 -2.660 6.548 1.00 0.44 C +ATOM 914 C ILE A 59 0.444 -3.854 5.992 1.00 0.47 C +ATOM 915 O ILE A 59 0.191 -4.990 6.338 1.00 0.65 O +ATOM 916 CB ILE A 59 -0.999 -3.022 7.877 1.00 0.51 C +ATOM 917 CG1 ILE A 59 -1.596 -1.760 8.506 1.00 0.52 C +ATOM 918 CG2 ILE A 59 0.044 -3.617 8.826 1.00 0.61 C +ATOM 919 CD1 ILE A 59 -2.443 -2.144 9.720 1.00 1.13 C +ATOM 920 H ILE A 59 -1.924 -3.016 5.132 1.00 0.43 H +ATOM 921 HA ILE A 59 0.315 -1.811 6.680 1.00 0.45 H +ATOM 922 HB ILE A 59 -1.782 -3.745 7.705 1.00 0.55 H +ATOM 923 HG12 ILE A 59 -0.798 -1.101 8.817 1.00 1.04 H +ATOM 924 HG13 ILE A 59 -2.218 -1.256 7.781 1.00 0.96 H +ATOM 925 HG21 ILE A 59 1.021 -3.237 8.569 1.00 1.12 H +ATOM 926 HG22 ILE A 59 -0.195 -3.341 9.842 1.00 1.26 H +ATOM 927 HG23 ILE A 59 0.040 -4.693 8.735 1.00 1.21 H +ATOM 928 HD11 ILE A 59 -2.094 -3.085 10.119 1.00 1.77 H +ATOM 929 HD12 ILE A 59 -2.355 -1.378 10.477 1.00 1.42 H +ATOM 930 HD13 ILE A 59 -3.477 -2.239 9.423 1.00 1.83 H +ATOM 931 N LEU A 60 1.393 -3.605 5.132 1.00 0.44 N +ATOM 932 CA LEU A 60 2.189 -4.726 4.555 1.00 0.49 C +ATOM 933 C LEU A 60 3.351 -5.082 5.487 1.00 0.53 C +ATOM 934 O LEU A 60 4.039 -4.219 5.996 1.00 0.86 O +ATOM 935 CB LEU A 60 2.713 -4.195 3.221 1.00 0.53 C +ATOM 936 CG LEU A 60 1.787 -4.652 2.093 1.00 0.71 C +ATOM 937 CD1 LEU A 60 1.884 -3.674 0.922 1.00 0.95 C +ATOM 938 CD2 LEU A 60 2.205 -6.048 1.626 1.00 0.93 C +ATOM 939 H LEU A 60 1.584 -2.681 4.865 1.00 0.48 H +ATOM 940 HA LEU A 60 1.562 -5.587 4.389 1.00 0.57 H +ATOM 941 HB2 LEU A 60 2.742 -3.116 3.250 1.00 0.60 H +ATOM 942 HB3 LEU A 60 3.707 -4.578 3.045 1.00 0.54 H +ATOM 943 HG LEU A 60 0.768 -4.681 2.453 1.00 0.87 H +ATOM 944 HD11 LEU A 60 1.985 -2.667 1.300 1.00 1.41 H +ATOM 945 HD12 LEU A 60 2.747 -3.919 0.318 1.00 1.43 H +ATOM 946 HD13 LEU A 60 0.992 -3.744 0.318 1.00 1.52 H +ATOM 947 HD21 LEU A 60 2.582 -6.611 2.467 1.00 1.41 H +ATOM 948 HD22 LEU A 60 1.351 -6.557 1.204 1.00 1.52 H +ATOM 949 HD23 LEU A 60 2.978 -5.960 0.877 1.00 1.32 H +ATOM 950 N HIS A 61 3.572 -6.347 5.716 1.00 0.55 N +ATOM 951 CA HIS A 61 4.685 -6.759 6.617 1.00 0.60 C +ATOM 952 C HIS A 61 5.921 -7.150 5.798 1.00 0.58 C +ATOM 953 O HIS A 61 6.016 -6.859 4.622 1.00 0.67 O +ATOM 954 CB HIS A 61 4.139 -7.962 7.387 1.00 0.76 C +ATOM 955 CG HIS A 61 3.180 -7.484 8.447 1.00 0.82 C +ATOM 956 ND1 HIS A 61 3.583 -7.245 9.752 1.00 0.94 N +ATOM 957 CD2 HIS A 61 1.838 -7.193 8.411 1.00 0.86 C +ATOM 958 CE1 HIS A 61 2.503 -6.831 10.441 1.00 1.02 C +ATOM 959 NE2 HIS A 61 1.413 -6.780 9.670 1.00 0.96 N +ATOM 960 H HIS A 61 3.003 -7.026 5.297 1.00 0.78 H +ATOM 961 HA HIS A 61 4.926 -5.963 7.304 1.00 0.63 H +ATOM 962 HB2 HIS A 61 3.622 -8.622 6.706 1.00 0.82 H +ATOM 963 HB3 HIS A 61 4.954 -8.493 7.854 1.00 0.83 H +ATOM 964 HD1 HIS A 61 4.489 -7.359 10.109 1.00 1.01 H +ATOM 965 HD2 HIS A 61 1.207 -7.271 7.537 1.00 0.88 H +ATOM 966 HE1 HIS A 61 2.517 -6.567 11.488 1.00 1.15 H +ATOM 967 N ASN A 62 6.870 -7.803 6.414 1.00 0.81 N +ATOM 968 CA ASN A 62 8.105 -8.209 5.680 1.00 0.91 C +ATOM 969 C ASN A 62 7.897 -8.084 4.169 1.00 0.71 C +ATOM 970 O ASN A 62 7.649 -9.056 3.483 1.00 0.74 O +ATOM 971 CB ASN A 62 8.336 -9.669 6.068 1.00 1.26 C +ATOM 972 CG ASN A 62 8.494 -10.516 4.803 1.00 1.73 C +ATOM 973 OD1 ASN A 62 8.889 -10.017 3.769 1.00 2.46 O +ATOM 974 ND2 ASN A 62 8.201 -11.786 4.844 1.00 2.10 N +ATOM 975 H ASN A 62 6.774 -8.020 7.362 1.00 1.06 H +ATOM 976 HA ASN A 62 8.944 -7.609 5.994 1.00 1.01 H +ATOM 977 HB2 ASN A 62 9.231 -9.745 6.670 1.00 1.75 H +ATOM 978 HB3 ASN A 62 7.491 -10.028 6.635 1.00 1.74 H +ATOM 979 HD21 ASN A 62 7.884 -12.190 5.679 1.00 2.10 H +ATOM 980 HD22 ASN A 62 8.299 -12.338 4.039 1.00 2.72 H +ATOM 981 N CYS A 63 8.002 -6.893 3.646 1.00 0.60 N +ATOM 982 CA CYS A 63 7.817 -6.702 2.178 1.00 0.54 C +ATOM 983 C CYS A 63 9.061 -7.180 1.424 1.00 0.55 C +ATOM 984 O CYS A 63 10.178 -6.886 1.800 1.00 0.73 O +ATOM 985 CB CYS A 63 7.623 -5.198 1.993 1.00 0.47 C +ATOM 986 SG CYS A 63 6.499 -4.575 3.267 1.00 0.51 S +ATOM 987 H CYS A 63 8.205 -6.125 4.219 1.00 0.67 H +ATOM 988 HA CYS A 63 6.942 -7.231 1.835 1.00 0.69 H +ATOM 989 HB2 CYS A 63 8.576 -4.701 2.080 1.00 0.48 H +ATOM 990 HB3 CYS A 63 7.203 -5.005 1.017 1.00 0.58 H +ATOM 991 HG CYS A 63 6.837 -4.850 4.122 1.00 0.56 H +ATOM 992 N GLN A 64 8.875 -7.923 0.369 1.00 0.65 N +ATOM 993 CA GLN A 64 10.032 -8.432 -0.405 1.00 0.74 C +ATOM 994 C GLN A 64 10.651 -7.332 -1.264 1.00 0.62 C +ATOM 995 O GLN A 64 10.286 -6.176 -1.178 1.00 0.60 O +ATOM 996 CB GLN A 64 9.447 -9.533 -1.285 1.00 0.94 C +ATOM 997 CG GLN A 64 10.341 -10.756 -1.178 1.00 1.45 C +ATOM 998 CD GLN A 64 9.553 -11.929 -0.595 1.00 1.82 C +ATOM 999 OE1 GLN A 64 8.619 -12.413 -1.201 1.00 2.48 O +ATOM 1000 NE2 GLN A 64 9.900 -12.410 0.568 1.00 2.12 N +ATOM 1001 H GLN A 64 7.972 -8.157 0.090 1.00 0.81 H +ATOM 1002 HA GLN A 64 10.772 -8.853 0.258 1.00 0.85 H +ATOM 1003 HB2 GLN A 64 8.450 -9.776 -0.946 1.00 1.31 H +ATOM 1004 HB3 GLN A 64 9.411 -9.199 -2.311 1.00 1.58 H +ATOM 1005 HG2 GLN A 64 10.716 -11.018 -2.155 1.00 2.07 H +ATOM 1006 HG3 GLN A 64 11.161 -10.520 -0.523 1.00 2.14 H +ATOM 1007 HE21 GLN A 64 10.656 -12.018 1.054 1.00 2.02 H +ATOM 1008 HE22 GLN A 64 9.406 -13.163 0.953 1.00 2.78 H +ATOM 1009 N LEU A 65 11.591 -7.691 -2.095 1.00 0.66 N +ATOM 1010 CA LEU A 65 12.250 -6.683 -2.969 1.00 0.74 C +ATOM 1011 C LEU A 65 11.328 -6.318 -4.137 1.00 0.82 C +ATOM 1012 O LEU A 65 11.316 -5.197 -4.606 1.00 1.20 O +ATOM 1013 CB LEU A 65 13.510 -7.383 -3.479 1.00 0.79 C +ATOM 1014 CG LEU A 65 14.675 -6.393 -3.500 1.00 1.09 C +ATOM 1015 CD1 LEU A 65 15.198 -6.193 -2.077 1.00 1.51 C +ATOM 1016 CD2 LEU A 65 15.796 -6.951 -4.380 1.00 1.63 C +ATOM 1017 H LEU A 65 11.866 -8.630 -2.142 1.00 0.72 H +ATOM 1018 HA LEU A 65 12.517 -5.805 -2.404 1.00 0.82 H +ATOM 1019 HB2 LEU A 65 13.750 -8.208 -2.823 1.00 0.97 H +ATOM 1020 HB3 LEU A 65 13.337 -7.755 -4.477 1.00 0.75 H +ATOM 1021 HG LEU A 65 14.339 -5.446 -3.896 1.00 1.40 H +ATOM 1022 HD11 LEU A 65 14.397 -5.843 -1.445 1.00 1.80 H +ATOM 1023 HD12 LEU A 65 15.573 -7.132 -1.697 1.00 2.12 H +ATOM 1024 HD13 LEU A 65 15.996 -5.465 -2.086 1.00 1.96 H +ATOM 1025 HD21 LEU A 65 15.969 -7.985 -4.127 1.00 1.99 H +ATOM 1026 HD22 LEU A 65 15.508 -6.876 -5.417 1.00 2.11 H +ATOM 1027 HD23 LEU A 65 16.700 -6.383 -4.215 1.00 2.08 H +ATOM 1028 N GLY A 66 10.551 -7.259 -4.606 1.00 0.78 N +ATOM 1029 CA GLY A 66 9.627 -6.968 -5.740 1.00 0.89 C +ATOM 1030 C GLY A 66 8.779 -5.743 -5.399 1.00 0.86 C +ATOM 1031 O GLY A 66 8.698 -4.800 -6.161 1.00 1.35 O +ATOM 1032 H GLY A 66 10.573 -8.156 -4.211 1.00 0.93 H +ATOM 1033 HA2 GLY A 66 10.202 -6.773 -6.634 1.00 0.99 H +ATOM 1034 HA3 GLY A 66 8.979 -7.815 -5.904 1.00 0.99 H +ATOM 1035 N MET A 67 8.150 -5.750 -4.256 1.00 0.59 N +ATOM 1036 CA MET A 67 7.311 -4.589 -3.860 1.00 0.53 C +ATOM 1037 C MET A 67 7.954 -3.283 -4.336 1.00 0.52 C +ATOM 1038 O MET A 67 7.430 -2.207 -4.120 1.00 0.85 O +ATOM 1039 CB MET A 67 7.262 -4.648 -2.334 1.00 0.59 C +ATOM 1040 CG MET A 67 6.259 -5.721 -1.910 1.00 0.60 C +ATOM 1041 SD MET A 67 5.573 -5.308 -0.287 1.00 0.80 S +ATOM 1042 CE MET A 67 4.372 -6.658 -0.196 1.00 1.23 C +ATOM 1043 H MET A 67 8.230 -6.521 -3.656 1.00 0.80 H +ATOM 1044 HA MET A 67 6.316 -4.690 -4.262 1.00 0.55 H +ATOM 1045 HB2 MET A 67 8.242 -4.897 -1.950 1.00 0.68 H +ATOM 1046 HB3 MET A 67 6.951 -3.691 -1.944 1.00 0.69 H +ATOM 1047 HG2 MET A 67 5.463 -5.773 -2.636 1.00 0.63 H +ATOM 1048 HG3 MET A 67 6.758 -6.675 -1.860 1.00 0.69 H +ATOM 1049 HE1 MET A 67 4.648 -7.436 -0.892 1.00 1.72 H +ATOM 1050 HE2 MET A 67 4.361 -7.064 0.807 1.00 1.60 H +ATOM 1051 HE3 MET A 67 3.390 -6.284 -0.449 1.00 1.81 H +ATOM 1052 N THR A 68 9.085 -3.368 -4.985 1.00 0.57 N +ATOM 1053 CA THR A 68 9.759 -2.131 -5.476 1.00 0.57 C +ATOM 1054 C THR A 68 8.902 -1.452 -6.547 1.00 0.54 C +ATOM 1055 O THR A 68 9.146 -1.589 -7.729 1.00 0.81 O +ATOM 1056 CB THR A 68 11.083 -2.609 -6.075 1.00 0.71 C +ATOM 1057 OG1 THR A 68 11.481 -3.814 -5.438 1.00 0.94 O +ATOM 1058 CG2 THR A 68 12.156 -1.539 -5.867 1.00 1.06 C +ATOM 1059 H THR A 68 9.489 -4.245 -5.149 1.00 0.87 H +ATOM 1060 HA THR A 68 9.949 -1.453 -4.659 1.00 0.57 H +ATOM 1061 HB THR A 68 10.957 -2.784 -7.133 1.00 0.99 H +ATOM 1062 HG1 THR A 68 10.958 -4.529 -5.807 1.00 0.74 H +ATOM 1063 HG21 THR A 68 11.683 -0.596 -5.635 1.00 1.59 H +ATOM 1064 HG22 THR A 68 12.800 -1.829 -5.049 1.00 1.44 H +ATOM 1065 HG23 THR A 68 12.742 -1.435 -6.767 1.00 1.67 H +ATOM 1066 N GLY A 69 7.901 -0.718 -6.145 1.00 0.64 N +ATOM 1067 CA GLY A 69 7.033 -0.035 -7.144 1.00 0.62 C +ATOM 1068 C GLY A 69 6.248 1.088 -6.463 1.00 0.56 C +ATOM 1069 O GLY A 69 6.764 1.800 -5.624 1.00 0.63 O +ATOM 1070 H GLY A 69 7.719 -0.618 -5.186 1.00 0.92 H +ATOM 1071 HA2 GLY A 69 7.648 0.381 -7.929 1.00 0.68 H +ATOM 1072 HA3 GLY A 69 6.341 -0.747 -7.567 1.00 0.64 H +ATOM 1073 N GLU A 70 5.002 1.249 -6.816 1.00 0.51 N +ATOM 1074 CA GLU A 70 4.181 2.325 -6.189 1.00 0.47 C +ATOM 1075 C GLU A 70 2.860 1.747 -5.680 1.00 0.47 C +ATOM 1076 O GLU A 70 2.300 0.840 -6.265 1.00 0.62 O +ATOM 1077 CB GLU A 70 3.927 3.337 -7.306 1.00 0.50 C +ATOM 1078 CG GLU A 70 4.140 2.668 -8.666 1.00 1.22 C +ATOM 1079 CD GLU A 70 4.117 3.730 -9.767 1.00 1.33 C +ATOM 1080 OE1 GLU A 70 3.071 4.326 -9.965 1.00 2.08 O +ATOM 1081 OE2 GLU A 70 5.145 3.930 -10.392 1.00 1.50 O +ATOM 1082 H GLU A 70 4.605 0.663 -7.493 1.00 0.54 H +ATOM 1083 HA GLU A 70 4.724 2.793 -5.383 1.00 0.48 H +ATOM 1084 HB2 GLU A 70 2.910 3.700 -7.238 1.00 1.09 H +ATOM 1085 HB3 GLU A 70 4.611 4.165 -7.204 1.00 1.03 H +ATOM 1086 HG2 GLU A 70 5.094 2.163 -8.672 1.00 1.83 H +ATOM 1087 HG3 GLU A 70 3.352 1.952 -8.843 1.00 1.89 H +ATOM 1088 N VAL A 71 2.356 2.264 -4.594 1.00 0.43 N +ATOM 1089 CA VAL A 71 1.072 1.745 -4.047 1.00 0.44 C +ATOM 1090 C VAL A 71 -0.105 2.535 -4.627 1.00 0.45 C +ATOM 1091 O VAL A 71 -0.477 3.575 -4.121 1.00 0.57 O +ATOM 1092 CB VAL A 71 1.174 1.958 -2.538 1.00 0.45 C +ATOM 1093 CG1 VAL A 71 -0.229 2.016 -1.934 1.00 0.45 C +ATOM 1094 CG2 VAL A 71 1.951 0.796 -1.914 1.00 0.49 C +ATOM 1095 H VAL A 71 2.823 2.995 -4.138 1.00 0.50 H +ATOM 1096 HA VAL A 71 0.966 0.694 -4.266 1.00 0.47 H +ATOM 1097 HB VAL A 71 1.690 2.886 -2.341 1.00 0.47 H +ATOM 1098 HG11 VAL A 71 -0.960 1.791 -2.696 1.00 1.13 H +ATOM 1099 HG12 VAL A 71 -0.307 1.293 -1.135 1.00 1.10 H +ATOM 1100 HG13 VAL A 71 -0.411 3.005 -1.541 1.00 1.05 H +ATOM 1101 HG21 VAL A 71 1.499 -0.139 -2.208 1.00 1.15 H +ATOM 1102 HG22 VAL A 71 2.975 0.824 -2.256 1.00 1.22 H +ATOM 1103 HG23 VAL A 71 1.928 0.886 -0.838 1.00 0.99 H +ATOM 1104 N SER A 72 -0.689 2.050 -5.687 1.00 0.46 N +ATOM 1105 CA SER A 72 -1.839 2.774 -6.301 1.00 0.49 C +ATOM 1106 C SER A 72 -3.160 2.188 -5.801 1.00 0.49 C +ATOM 1107 O SER A 72 -3.523 1.076 -6.132 1.00 0.65 O +ATOM 1108 CB SER A 72 -1.688 2.553 -7.805 1.00 0.55 C +ATOM 1109 OG SER A 72 -1.816 1.165 -8.091 1.00 0.98 O +ATOM 1110 H SER A 72 -0.372 1.210 -6.082 1.00 0.55 H +ATOM 1111 HA SER A 72 -1.784 3.827 -6.077 1.00 0.50 H +ATOM 1112 HB2 SER A 72 -2.456 3.094 -8.330 1.00 0.74 H +ATOM 1113 HB3 SER A 72 -0.717 2.908 -8.125 1.00 0.77 H +ATOM 1114 HG SER A 72 -1.618 1.034 -9.022 1.00 1.29 H +ATOM 1115 N PHE A 73 -3.883 2.927 -5.004 1.00 0.39 N +ATOM 1116 CA PHE A 73 -5.182 2.413 -4.483 1.00 0.39 C +ATOM 1117 C PHE A 73 -6.302 2.704 -5.486 1.00 0.44 C +ATOM 1118 O PHE A 73 -6.242 3.655 -6.239 1.00 0.52 O +ATOM 1119 CB PHE A 73 -5.416 3.176 -3.179 1.00 0.40 C +ATOM 1120 CG PHE A 73 -6.713 2.720 -2.556 1.00 0.38 C +ATOM 1121 CD1 PHE A 73 -6.917 1.362 -2.279 1.00 1.24 C +ATOM 1122 CD2 PHE A 73 -7.712 3.653 -2.256 1.00 1.23 C +ATOM 1123 CE1 PHE A 73 -8.119 0.939 -1.703 1.00 1.24 C +ATOM 1124 CE2 PHE A 73 -8.916 3.229 -1.679 1.00 1.26 C +ATOM 1125 CZ PHE A 73 -9.119 1.872 -1.402 1.00 0.46 C +ATOM 1126 H PHE A 73 -3.573 3.821 -4.750 1.00 0.41 H +ATOM 1127 HA PHE A 73 -5.117 1.355 -4.285 1.00 0.42 H +ATOM 1128 HB2 PHE A 73 -4.601 2.983 -2.497 1.00 0.46 H +ATOM 1129 HB3 PHE A 73 -5.470 4.235 -3.386 1.00 0.46 H +ATOM 1130 HD1 PHE A 73 -6.145 0.643 -2.511 1.00 2.13 H +ATOM 1131 HD2 PHE A 73 -7.556 4.701 -2.469 1.00 2.10 H +ATOM 1132 HE1 PHE A 73 -8.276 -0.108 -1.489 1.00 2.11 H +ATOM 1133 HE2 PHE A 73 -9.686 3.950 -1.447 1.00 2.15 H +ATOM 1134 HZ PHE A 73 -10.047 1.545 -0.958 1.00 0.52 H +ATOM 1135 N GLN A 74 -7.323 1.892 -5.503 1.00 0.50 N +ATOM 1136 CA GLN A 74 -8.444 2.124 -6.459 1.00 0.59 C +ATOM 1137 C GLN A 74 -9.788 2.021 -5.734 1.00 0.55 C +ATOM 1138 O GLN A 74 -10.036 1.087 -4.997 1.00 0.64 O +ATOM 1139 CB GLN A 74 -8.311 1.016 -7.503 1.00 0.76 C +ATOM 1140 CG GLN A 74 -8.140 1.638 -8.890 1.00 1.34 C +ATOM 1141 CD GLN A 74 -8.672 0.672 -9.951 1.00 1.63 C +ATOM 1142 OE1 GLN A 74 -8.833 -0.504 -9.693 1.00 1.93 O +ATOM 1143 NE2 GLN A 74 -8.953 1.122 -11.143 1.00 2.39 N +ATOM 1144 H GLN A 74 -7.354 1.129 -4.887 1.00 0.55 H +ATOM 1145 HA GLN A 74 -8.343 3.088 -6.931 1.00 0.68 H +ATOM 1146 HB2 GLN A 74 -7.448 0.406 -7.272 1.00 1.24 H +ATOM 1147 HB3 GLN A 74 -9.199 0.402 -7.492 1.00 1.15 H +ATOM 1148 HG2 GLN A 74 -8.691 2.567 -8.937 1.00 1.90 H +ATOM 1149 HG3 GLN A 74 -7.095 1.831 -9.073 1.00 1.95 H +ATOM 1150 HE21 GLN A 74 -8.824 2.071 -11.352 1.00 2.78 H +ATOM 1151 HE22 GLN A 74 -9.294 0.511 -11.829 1.00 2.86 H +ATOM 1152 N ALA A 75 -10.657 2.972 -5.938 1.00 0.72 N +ATOM 1153 CA ALA A 75 -11.984 2.925 -5.259 1.00 0.77 C +ATOM 1154 C ALA A 75 -12.982 3.834 -5.981 1.00 0.95 C +ATOM 1155 O ALA A 75 -12.693 4.975 -6.282 1.00 1.75 O +ATOM 1156 CB ALA A 75 -11.721 3.438 -3.842 1.00 0.80 C +ATOM 1157 H ALA A 75 -10.439 3.716 -6.536 1.00 0.94 H +ATOM 1158 HA ALA A 75 -12.353 1.913 -5.222 1.00 0.76 H +ATOM 1159 HB1 ALA A 75 -10.785 3.037 -3.483 1.00 1.22 H +ATOM 1160 HB2 ALA A 75 -11.672 4.515 -3.853 1.00 1.37 H +ATOM 1161 HB3 ALA A 75 -12.521 3.120 -3.191 1.00 1.31 H +ATOM 1162 N ALA A 76 -14.156 3.336 -6.260 1.00 0.89 N +ATOM 1163 CA ALA A 76 -15.176 4.170 -6.961 1.00 0.97 C +ATOM 1164 C ALA A 76 -14.512 5.027 -8.042 1.00 0.94 C +ATOM 1165 O ALA A 76 -14.226 4.564 -9.128 1.00 1.41 O +ATOM 1166 CB ALA A 76 -15.782 5.055 -5.872 1.00 1.13 C +ATOM 1167 H ALA A 76 -14.368 2.413 -6.007 1.00 1.38 H +ATOM 1168 HA ALA A 76 -15.939 3.544 -7.394 1.00 1.12 H +ATOM 1169 HB1 ALA A 76 -15.940 4.468 -4.979 1.00 1.59 H +ATOM 1170 HB2 ALA A 76 -15.107 5.869 -5.653 1.00 1.57 H +ATOM 1171 HB3 ALA A 76 -16.726 5.451 -6.214 1.00 1.51 H +ATOM 1172 N ASN A 77 -14.269 6.277 -7.754 1.00 1.06 N +ATOM 1173 CA ASN A 77 -13.629 7.165 -8.769 1.00 1.12 C +ATOM 1174 C ASN A 77 -12.334 7.765 -8.213 1.00 1.11 C +ATOM 1175 O ASN A 77 -11.674 8.549 -8.865 1.00 1.39 O +ATOM 1176 CB ASN A 77 -14.659 8.263 -9.037 1.00 1.29 C +ATOM 1177 CG ASN A 77 -13.939 9.583 -9.315 1.00 1.11 C +ATOM 1178 OD1 ASN A 77 -12.987 9.623 -10.069 1.00 1.72 O +ATOM 1179 ND2 ASN A 77 -14.356 10.673 -8.733 1.00 1.48 N +ATOM 1180 H ASN A 77 -14.511 6.634 -6.874 1.00 1.48 H +ATOM 1181 HA ASN A 77 -13.432 6.618 -9.677 1.00 1.18 H +ATOM 1182 HB2 ASN A 77 -15.261 7.992 -9.893 1.00 1.85 H +ATOM 1183 HB3 ASN A 77 -15.295 8.380 -8.172 1.00 1.90 H +ATOM 1184 HD21 ASN A 77 -15.124 10.642 -8.126 1.00 1.72 H +ATOM 1185 HD22 ASN A 77 -13.902 11.524 -8.904 1.00 2.01 H +ATOM 1186 N ALA A 78 -11.964 7.402 -7.015 1.00 1.11 N +ATOM 1187 CA ALA A 78 -10.711 7.954 -6.425 1.00 1.14 C +ATOM 1188 C ALA A 78 -9.506 7.125 -6.881 1.00 0.89 C +ATOM 1189 O ALA A 78 -9.638 5.982 -7.269 1.00 1.02 O +ATOM 1190 CB ALA A 78 -10.900 7.840 -4.912 1.00 1.34 C +ATOM 1191 H ALA A 78 -12.509 6.767 -6.505 1.00 1.30 H +ATOM 1192 HA ALA A 78 -10.585 8.987 -6.703 1.00 1.33 H +ATOM 1193 HB1 ALA A 78 -11.071 6.807 -4.647 1.00 1.72 H +ATOM 1194 HB2 ALA A 78 -10.014 8.199 -4.410 1.00 1.59 H +ATOM 1195 HB3 ALA A 78 -11.751 8.434 -4.610 1.00 1.85 H +ATOM 1196 N LYS A 79 -8.331 7.692 -6.837 1.00 0.76 N +ATOM 1197 CA LYS A 79 -7.121 6.934 -7.271 1.00 0.67 C +ATOM 1198 C LYS A 79 -5.858 7.571 -6.686 1.00 0.62 C +ATOM 1199 O LYS A 79 -5.485 8.671 -7.041 1.00 0.88 O +ATOM 1200 CB LYS A 79 -7.115 7.038 -8.796 1.00 0.90 C +ATOM 1201 CG LYS A 79 -6.864 5.655 -9.402 1.00 1.46 C +ATOM 1202 CD LYS A 79 -6.218 5.811 -10.780 1.00 1.93 C +ATOM 1203 CE LYS A 79 -7.304 6.055 -11.829 1.00 2.58 C +ATOM 1204 NZ LYS A 79 -6.676 5.682 -13.126 1.00 3.35 N +ATOM 1205 H LYS A 79 -8.243 8.616 -6.522 1.00 0.90 H +ATOM 1206 HA LYS A 79 -7.197 5.902 -6.971 1.00 0.69 H +ATOM 1207 HB2 LYS A 79 -8.070 7.412 -9.135 1.00 1.53 H +ATOM 1208 HB3 LYS A 79 -6.332 7.712 -9.108 1.00 1.46 H +ATOM 1209 HG2 LYS A 79 -6.204 5.094 -8.755 1.00 2.05 H +ATOM 1210 HG3 LYS A 79 -7.802 5.130 -9.504 1.00 2.07 H +ATOM 1211 HD2 LYS A 79 -5.535 6.650 -10.764 1.00 2.42 H +ATOM 1212 HD3 LYS A 79 -5.676 4.912 -11.028 1.00 2.18 H +ATOM 1213 HE2 LYS A 79 -8.164 5.431 -11.629 1.00 2.88 H +ATOM 1214 HE3 LYS A 79 -7.589 7.096 -11.841 1.00 2.89 H +ATOM 1215 HZ1 LYS A 79 -6.177 4.777 -13.023 1.00 3.67 H +ATOM 1216 HZ2 LYS A 79 -7.413 5.587 -13.854 1.00 3.74 H +ATOM 1217 HZ3 LYS A 79 -6.002 6.422 -13.410 1.00 3.69 H +ATOM 1218 N SER A 80 -5.197 6.887 -5.794 1.00 0.45 N +ATOM 1219 CA SER A 80 -3.957 7.452 -5.189 1.00 0.42 C +ATOM 1220 C SER A 80 -2.726 6.719 -5.733 1.00 0.40 C +ATOM 1221 O SER A 80 -2.840 5.744 -6.449 1.00 0.45 O +ATOM 1222 CB SER A 80 -4.107 7.216 -3.687 1.00 0.41 C +ATOM 1223 OG SER A 80 -4.230 5.822 -3.441 1.00 1.22 O +ATOM 1224 H SER A 80 -5.514 5.999 -5.522 1.00 0.55 H +ATOM 1225 HA SER A 80 -3.887 8.509 -5.392 1.00 0.48 H +ATOM 1226 HB2 SER A 80 -3.238 7.592 -3.171 1.00 0.84 H +ATOM 1227 HB3 SER A 80 -4.987 7.735 -3.329 1.00 0.87 H +ATOM 1228 HG SER A 80 -3.794 5.629 -2.608 1.00 1.75 H +ATOM 1229 N ALA A 81 -1.552 7.182 -5.402 1.00 0.38 N +ATOM 1230 CA ALA A 81 -0.319 6.510 -5.904 1.00 0.40 C +ATOM 1231 C ALA A 81 0.905 6.983 -5.114 1.00 0.39 C +ATOM 1232 O ALA A 81 1.441 8.046 -5.360 1.00 0.48 O +ATOM 1233 CB ALA A 81 -0.208 6.935 -7.370 1.00 0.48 C +ATOM 1234 H ALA A 81 -1.480 7.971 -4.825 1.00 0.39 H +ATOM 1235 HA ALA A 81 -0.420 5.439 -5.839 1.00 0.41 H +ATOM 1236 HB1 ALA A 81 -1.036 7.583 -7.619 1.00 1.13 H +ATOM 1237 HB2 ALA A 81 0.721 7.464 -7.522 1.00 1.09 H +ATOM 1238 HB3 ALA A 81 -0.233 6.060 -8.002 1.00 1.09 H +ATOM 1239 N ALA A 82 1.350 6.202 -4.168 1.00 0.34 N +ATOM 1240 CA ALA A 82 2.538 6.608 -3.362 1.00 0.38 C +ATOM 1241 C ALA A 82 3.793 5.895 -3.872 1.00 0.34 C +ATOM 1242 O ALA A 82 3.762 5.195 -4.865 1.00 0.37 O +ATOM 1243 CB ALA A 82 2.216 6.167 -1.934 1.00 0.42 C +ATOM 1244 H ALA A 82 0.902 5.350 -3.985 1.00 0.34 H +ATOM 1245 HA ALA A 82 2.671 7.678 -3.397 1.00 0.44 H +ATOM 1246 HB1 ALA A 82 1.331 5.550 -1.938 1.00 1.06 H +ATOM 1247 HB2 ALA A 82 3.047 5.603 -1.536 1.00 1.04 H +ATOM 1248 HB3 ALA A 82 2.045 7.038 -1.319 1.00 1.22 H +ATOM 1249 N ASN A 83 4.896 6.066 -3.197 1.00 0.37 N +ATOM 1250 CA ASN A 83 6.153 5.397 -3.639 1.00 0.36 C +ATOM 1251 C ASN A 83 6.626 4.408 -2.570 1.00 0.38 C +ATOM 1252 O ASN A 83 6.672 4.724 -1.398 1.00 0.58 O +ATOM 1253 CB ASN A 83 7.166 6.528 -3.810 1.00 0.42 C +ATOM 1254 CG ASN A 83 7.313 6.858 -5.296 1.00 1.31 C +ATOM 1255 OD1 ASN A 83 6.723 6.208 -6.135 1.00 2.15 O +ATOM 1256 ND2 ASN A 83 8.080 7.848 -5.660 1.00 1.90 N +ATOM 1257 H ASN A 83 4.899 6.632 -2.398 1.00 0.44 H +ATOM 1258 HA ASN A 83 6.003 4.893 -4.579 1.00 0.35 H +ATOM 1259 HB2 ASN A 83 6.822 7.402 -3.277 1.00 1.04 H +ATOM 1260 HB3 ASN A 83 8.121 6.218 -3.415 1.00 1.06 H +ATOM 1261 HD21 ASN A 83 8.556 8.374 -4.984 1.00 1.97 H +ATOM 1262 HD22 ASN A 83 8.181 8.067 -6.610 1.00 2.65 H +ATOM 1263 N LEU A 84 6.972 3.213 -2.963 1.00 0.40 N +ATOM 1264 CA LEU A 84 7.436 2.209 -1.964 1.00 0.44 C +ATOM 1265 C LEU A 84 8.632 1.425 -2.511 1.00 0.43 C +ATOM 1266 O LEU A 84 8.610 0.935 -3.622 1.00 0.51 O +ATOM 1267 CB LEU A 84 6.240 1.281 -1.751 1.00 0.52 C +ATOM 1268 CG LEU A 84 6.656 0.111 -0.858 1.00 0.64 C +ATOM 1269 CD1 LEU A 84 6.948 0.625 0.553 1.00 0.87 C +ATOM 1270 CD2 LEU A 84 5.522 -0.915 -0.802 1.00 1.19 C +ATOM 1271 H LEU A 84 6.926 2.976 -3.912 1.00 0.53 H +ATOM 1272 HA LEU A 84 7.696 2.693 -1.036 1.00 0.49 H +ATOM 1273 HB2 LEU A 84 5.439 1.830 -1.277 1.00 0.54 H +ATOM 1274 HB3 LEU A 84 5.903 0.902 -2.703 1.00 0.58 H +ATOM 1275 HG LEU A 84 7.545 -0.353 -1.262 1.00 0.94 H +ATOM 1276 HD11 LEU A 84 6.366 1.516 0.740 1.00 1.34 H +ATOM 1277 HD12 LEU A 84 6.685 -0.134 1.275 1.00 1.39 H +ATOM 1278 HD13 LEU A 84 7.999 0.857 0.642 1.00 1.50 H +ATOM 1279 HD21 LEU A 84 4.658 -0.526 -1.320 1.00 1.59 H +ATOM 1280 HD22 LEU A 84 5.842 -1.832 -1.273 1.00 1.77 H +ATOM 1281 HD23 LEU A 84 5.266 -1.112 0.229 1.00 1.74 H +ATOM 1282 N LYS A 85 9.673 1.301 -1.736 1.00 0.43 N +ATOM 1283 CA LYS A 85 10.868 0.544 -2.209 1.00 0.46 C +ATOM 1284 C LYS A 85 11.313 -0.456 -1.139 1.00 0.44 C +ATOM 1285 O LYS A 85 11.463 -0.115 0.019 1.00 0.53 O +ATOM 1286 CB LYS A 85 11.949 1.602 -2.435 1.00 0.56 C +ATOM 1287 CG LYS A 85 11.359 2.780 -3.212 1.00 1.39 C +ATOM 1288 CD LYS A 85 12.486 3.724 -3.638 1.00 1.78 C +ATOM 1289 CE LYS A 85 11.943 4.757 -4.628 1.00 2.53 C +ATOM 1290 NZ LYS A 85 13.142 5.500 -5.103 1.00 2.93 N +ATOM 1291 H LYS A 85 9.670 1.702 -0.842 1.00 0.48 H +ATOM 1292 HA LYS A 85 10.650 0.035 -3.134 1.00 0.49 H +ATOM 1293 HB2 LYS A 85 12.317 1.947 -1.480 1.00 1.05 H +ATOM 1294 HB3 LYS A 85 12.761 1.171 -3.000 1.00 1.06 H +ATOM 1295 HG2 LYS A 85 10.845 2.411 -4.088 1.00 1.94 H +ATOM 1296 HG3 LYS A 85 10.663 3.314 -2.584 1.00 1.93 H +ATOM 1297 HD2 LYS A 85 12.879 4.230 -2.768 1.00 2.11 H +ATOM 1298 HD3 LYS A 85 13.273 3.155 -4.110 1.00 1.99 H +ATOM 1299 HE2 LYS A 85 11.450 4.261 -5.454 1.00 2.84 H +ATOM 1300 HE3 LYS A 85 11.262 5.432 -4.133 1.00 3.11 H +ATOM 1301 HZ1 LYS A 85 13.721 5.783 -4.288 1.00 3.16 H +ATOM 1302 HZ2 LYS A 85 13.701 4.889 -5.733 1.00 3.21 H +ATOM 1303 HZ3 LYS A 85 12.842 6.350 -5.622 1.00 3.30 H +ATOM 1304 N VAL A 86 11.524 -1.685 -1.516 1.00 0.43 N +ATOM 1305 CA VAL A 86 11.957 -2.707 -0.521 1.00 0.43 C +ATOM 1306 C VAL A 86 13.482 -2.852 -0.548 1.00 0.51 C +ATOM 1307 O VAL A 86 14.054 -3.320 -1.511 1.00 0.66 O +ATOM 1308 CB VAL A 86 11.282 -4.003 -0.970 1.00 0.46 C +ATOM 1309 CG1 VAL A 86 12.037 -5.202 -0.393 1.00 0.48 C +ATOM 1310 CG2 VAL A 86 9.835 -4.020 -0.471 1.00 0.49 C +ATOM 1311 H VAL A 86 11.395 -1.938 -2.454 1.00 0.50 H +ATOM 1312 HA VAL A 86 11.621 -2.439 0.468 1.00 0.42 H +ATOM 1313 HB VAL A 86 11.293 -4.057 -2.049 1.00 0.53 H +ATOM 1314 HG11 VAL A 86 12.634 -4.883 0.447 1.00 1.08 H +ATOM 1315 HG12 VAL A 86 11.328 -5.950 -0.068 1.00 1.02 H +ATOM 1316 HG13 VAL A 86 12.681 -5.623 -1.154 1.00 1.06 H +ATOM 1317 HG21 VAL A 86 9.329 -3.126 -0.806 1.00 1.18 H +ATOM 1318 HG22 VAL A 86 9.328 -4.889 -0.863 1.00 1.08 H +ATOM 1319 HG23 VAL A 86 9.827 -4.054 0.609 1.00 1.14 H +ATOM 1320 N LYS A 87 14.143 -2.450 0.504 1.00 0.61 N +ATOM 1321 CA LYS A 87 15.630 -2.561 0.537 1.00 0.73 C +ATOM 1322 C LYS A 87 16.051 -3.825 1.294 1.00 0.71 C +ATOM 1323 O LYS A 87 15.421 -4.225 2.253 1.00 0.79 O +ATOM 1324 CB LYS A 87 16.102 -1.310 1.276 1.00 0.84 C +ATOM 1325 CG LYS A 87 16.105 -0.120 0.314 1.00 1.15 C +ATOM 1326 CD LYS A 87 16.594 1.129 1.050 1.00 1.41 C +ATOM 1327 CE LYS A 87 17.826 1.692 0.338 1.00 1.73 C +ATOM 1328 NZ LYS A 87 18.031 3.041 0.933 1.00 2.39 N +ATOM 1329 H LYS A 87 13.662 -2.073 1.270 1.00 0.73 H +ATOM 1330 HA LYS A 87 16.029 -2.571 -0.465 1.00 0.86 H +ATOM 1331 HB2 LYS A 87 15.434 -1.105 2.101 1.00 0.91 H +ATOM 1332 HB3 LYS A 87 17.102 -1.468 1.653 1.00 0.99 H +ATOM 1333 HG2 LYS A 87 16.764 -0.330 -0.516 1.00 1.56 H +ATOM 1334 HG3 LYS A 87 15.104 0.050 -0.053 1.00 1.67 H +ATOM 1335 HD2 LYS A 87 15.811 1.873 1.056 1.00 1.97 H +ATOM 1336 HD3 LYS A 87 16.854 0.870 2.065 1.00 1.98 H +ATOM 1337 HE2 LYS A 87 18.686 1.061 0.523 1.00 2.22 H +ATOM 1338 HE3 LYS A 87 17.643 1.779 -0.722 1.00 2.11 H +ATOM 1339 HZ1 LYS A 87 17.195 3.302 1.495 1.00 2.83 H +ATOM 1340 HZ2 LYS A 87 18.870 3.027 1.546 1.00 2.74 H +ATOM 1341 HZ3 LYS A 87 18.171 3.737 0.174 1.00 2.80 H +ATOM 1342 N GLU A 88 17.112 -4.455 0.869 1.00 0.87 N +ATOM 1343 CA GLU A 88 17.573 -5.692 1.563 1.00 0.91 C +ATOM 1344 C GLU A 88 18.388 -5.329 2.808 1.00 0.92 C +ATOM 1345 O GLU A 88 18.597 -4.171 3.108 1.00 1.13 O +ATOM 1346 CB GLU A 88 18.451 -6.415 0.541 1.00 1.17 C +ATOM 1347 CG GLU A 88 17.571 -7.040 -0.542 1.00 1.84 C +ATOM 1348 CD GLU A 88 18.432 -7.907 -1.463 1.00 2.21 C +ATOM 1349 OE1 GLU A 88 19.030 -7.356 -2.372 1.00 2.68 O +ATOM 1350 OE2 GLU A 88 18.480 -9.106 -1.242 1.00 2.54 O +ATOM 1351 H GLU A 88 17.605 -4.116 0.092 1.00 1.08 H +ATOM 1352 HA GLU A 88 16.731 -6.312 1.829 1.00 0.98 H +ATOM 1353 HB2 GLU A 88 19.131 -5.707 0.089 1.00 1.55 H +ATOM 1354 HB3 GLU A 88 19.016 -7.190 1.036 1.00 1.53 H +ATOM 1355 HG2 GLU A 88 16.810 -7.653 -0.078 1.00 2.28 H +ATOM 1356 HG3 GLU A 88 17.102 -6.260 -1.121 1.00 2.27 H +ATOM 1357 N LEU A 89 18.850 -6.312 3.532 1.00 1.02 N +ATOM 1358 CA LEU A 89 19.652 -6.026 4.758 1.00 1.22 C +ATOM 1359 C LEU A 89 21.121 -5.800 4.388 1.00 1.42 C +ATOM 1360 O LEU A 89 21.365 -5.214 3.346 1.00 1.81 O +ATOM 1361 CB LEU A 89 19.506 -7.273 5.630 1.00 1.43 C +ATOM 1362 CG LEU A 89 19.680 -6.893 7.101 1.00 1.83 C +ATOM 1363 CD1 LEU A 89 18.305 -6.723 7.750 1.00 2.16 C +ATOM 1364 CD2 LEU A 89 20.450 -7.999 7.826 1.00 2.29 C +ATOM 1365 OXT LEU A 89 21.975 -6.218 5.152 1.00 1.96 O +ATOM 1366 H LEU A 89 18.669 -7.240 3.270 1.00 1.16 H +ATOM 1367 HA LEU A 89 19.256 -5.167 5.275 1.00 1.33 H +ATOM 1368 HB2 LEU A 89 18.526 -7.704 5.480 1.00 1.65 H +ATOM 1369 HB3 LEU A 89 20.261 -7.995 5.355 1.00 1.67 H +ATOM 1370 HG LEU A 89 20.228 -5.965 7.170 1.00 2.16 H +ATOM 1371 HD11 LEU A 89 17.709 -6.047 7.156 1.00 2.40 H +ATOM 1372 HD12 LEU A 89 17.813 -7.682 7.807 1.00 2.47 H +ATOM 1373 HD13 LEU A 89 18.425 -6.320 8.745 1.00 2.64 H +ATOM 1374 HD21 LEU A 89 20.106 -8.964 7.481 1.00 2.76 H +ATOM 1375 HD22 LEU A 89 21.505 -7.899 7.619 1.00 2.43 H +ATOM 1376 HD23 LEU A 89 20.282 -7.917 8.889 1.00 2.67 H +TER 1377 LEU A 89 +MASTER 124 0 0 0 8 0 0 6 1376 1 0 8 +END diff --git a/media/src/pymol/1TIT.pml b/media/src/pymol/1TIT.pml new file mode 100644 index 0000000..a20bdc3 --- /dev/null +++ b/media/src/pymol/1TIT.pml @@ -0,0 +1,31 @@ +load 1TIT.pdb + # transparent background +set ray_opaque_background, off +util.performance(0) # max performance (slower) +cmd.space('cmyk') # printable CMYK colors +hide everything, all # don't show anything except... +show cartoon, all # ... the cartoon +cmd.spectrum("count",selection="1TIT",byres=1) # rainbow by residue count + # zoom so molecule fills window +set_view (\ + 1.000000000, 0.000000000, 0.000000000,\ + 0.000000000, 1.000000000, 0.000000000,\ + 0.000000000, 0.000000000, 1.000000000,\ + 0.000000000, 0.000000000, -80.905616760,\ + 0.043053962, -1.233590841, 4.578000069,\ + 52.642337799, 109.168846130, 22.500000000 ) +# view matrix (from pymol.viewing.get_view) +# 3x3 matrix rotating model space to camera space +# 1x3 origin of rotation relative to camera in camera space +# 1x3 origin of rotation relative to camera in model space +# 1x1 front plane distance from the camera +# 1x1 rear plane distance from the camera +# 1x1 orthoscopic flag (+/-) and field of view (if abs(value) > 1) +# The camera always looks down -Z with its +X left and its +Y down. +# Therefore, in the default view, model +X is to the observer\'s +# right, +Y is upward, and +Z points toward the observer. +# +# To zoom, tweak the field-of-view setting, decreasing to zoom in. + # render with 640 pixel width +png 1TIT.png, width=640 +quit -- 2.26.2