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*** TRANSFERASE 18-AUG-21 7PHT ***elNémo ID: 2603121028102304182Job options:ID = 2603121028102304182 JOBID = TRANSFERASE 18-AUG-21 7PHT USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER TRANSFERASE 18-AUG-21 7PHT TITLE STRUCTURE OF INSULIN RECEPTOR'S TRANSMEMBRANE DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: ISOFORM LONG OF INSULIN RECEPTOR; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: IR; COMPND 5 EC: 2.7.10.1; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: INSR; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008 KEYWDS PROTEIN, TRANSMEMBRANE DOMAIN, INSULIN RECEPTOR, RECEPTOR, INSR, KEYWDS 2 SIGNALING PROTEIN, TRANSFERASE EXPDTA SOLUTION NMR AUTHOR Y.V.BERSHATSKY,K.D.NADEZHDIN,O.V.BOCHAROVA,E.V.BOCHAROV REVDAT 2 19-JUN-24 7PHT 1 REMARK REVDAT 1 07-SEP-22 7PHT 0 JRNL AUTH Y.V.BERSHATSKY,K.D.NADEZHDIN,O.V.BOCHAROVA,E.V.BOCHAROV JRNL TITL STRUCTURE OF INSULIN RECEPTOR'S TRANSMEMBRANE DOMAIN JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 7PHT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 18-AUG-21. REMARK 100 THE DEPOSITION ID IS D_1292117697. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 6.7 REMARK 210 IONIC STRENGTH : 0.1 REMARK 210 PRESSURE : AMBIENT PA REMARK 210 SAMPLE CONTENTS : 0.5 MM [U-100% 13C; U-100% 15N] REMARK 210 INSRTM, 100 MM [U-99% 2H] DPC, REMARK 210 0.3 MM SODIUM AZIDE, 30 MM REMARK 210 KH2PO4, 20 MM K2HPO4, 95% H2O/5% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 2D 1H-1H TROSY; REMARK 210 2D 1H-13C CT HSQC; 2D 1H-13C REMARK 210 HSQC; 3D HNCA; 3D HNCO; 3D HN(CO) REMARK 210 CA; 3D CBCA(CO)NH; 3D HCCH-TOCSY; REMARK 210 2D 1H-13C HSQC AROMATIC; 3D 1H- REMARK 210 15N NOESY; 3D 1H-13C NOESY REMARK 210 AROMATIC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CARA, CYANA, TOPSPIN, TALOS REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 3420 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 6 LYS A 981 99.57 -65.97 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 34657 RELATED DB: BMRB REMARK 900 STRUCTURE OF INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR'S TRANSMEMBRANE REMARK 900 DOMAIN DBREF 7PHT A 953 982 UNP P06213-1 INSR-1_HUMAN 953 982 SEQRES 1 A 30 ASN ILE ALA GLU ILE ILE ILE GLY PRO LEU ILE PHE VAL SEQRES 2 A 30 PHE LEU PHE SER VAL VAL ILE GLY SER ILE TYR LEU PHE SEQRES 3 A 30 LEU ARG LYS ARG HELIX 1 1 ILE A 954 LYS A 981 1 28 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 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 NUMMDL 20 MODEL 1 ATOM 1 N ASN A 953 4.299 -0.588 -2.059 1.00 0.00 N ATOM 2 CA ASN A 953 5.708 -0.948 -1.950 1.00 0.00 C ATOM 3 C ASN A 953 6.374 -0.965 -3.322 1.00 0.00 C ATOM 4 O ASN A 953 5.716 -0.764 -4.344 1.00 0.00 O ATOM 5 CB ASN A 953 5.856 -2.317 -1.282 1.00 0.00 C ATOM 6 CG ASN A 953 6.387 -2.215 0.135 1.00 0.00 C ATOM 7 OD1 ASN A 953 7.536 -1.831 0.353 1.00 0.00 O ATOM 8 ND2 ASN A 953 5.549 -2.559 1.106 1.00 0.00 N ATOM 9 H1 ASN A 953 3.894 -0.508 -2.948 1.00 0.00 H ATOM 10 HA ASN A 953 6.194 -0.204 -1.336 1.00 0.00 H ATOM 11 HB2 ASN A 953 4.891 -2.801 -1.250 1.00 0.00 H ATOM 12 HB3 ASN A 953 6.538 -2.921 -1.860 1.00 0.00 H ATOM 13 HD21 ASN A 953 4.649 -2.855 0.858 1.00 0.00 H ATOM 14 HD22 ASN A 953 5.866 -2.502 2.032 1.00 0.00 H ATOM 15 N ILE A 954 7.680 -1.206 -3.337 1.00 0.00 N ATOM 16 CA ILE A 954 8.434 -1.250 -4.584 1.00 0.00 C ATOM 17 C ILE A 954 9.027 -2.635 -4.819 1.00 0.00 C ATOM 18 O ILE A 954 9.334 -3.359 -3.872 1.00 0.00 O ATOM 19 CB ILE A 954 9.569 -0.210 -4.593 1.00 0.00 C ATOM 20 CG1 ILE A 954 9.038 1.161 -4.170 1.00 0.00 C ATOM 21 CG2 ILE A 954 10.207 -0.134 -5.972 1.00 0.00 C ATOM 22 CD1 ILE A 954 10.121 2.203 -4.001 1.00 0.00 C ATOM 23 H ILE A 954 8.148 -1.358 -2.490 1.00 0.00 H ATOM 24 HA ILE A 954 7.755 -1.019 -5.392 1.00 0.00 H ATOM 25 HB ILE A 954 10.325 -0.528 -3.891 1.00 0.00 H ATOM 26 HG12 ILE A 954 8.348 1.519 -4.918 1.00 0.00 H ATOM 27 HG13 ILE A 954 8.521 1.063 -3.227 1.00 0.00 H ATOM 28 HG21 ILE A 954 11.118 -0.715 -5.980 1.00 0.00 H ATOM 29 HG22 ILE A 954 9.522 -0.529 -6.708 1.00 0.00 H ATOM 30 HG23 ILE A 954 10.435 0.895 -6.208 1.00 0.00 H ATOM 31 HD11 ILE A 954 10.189 2.486 -2.961 1.00 0.00 H ATOM 32 HD12 ILE A 954 11.067 1.795 -4.325 1.00 0.00 H ATOM 33 HD13 ILE A 954 9.881 3.072 -4.595 1.00 0.00 H ATOM 34 N ALA A 955 9.186 -2.998 -6.088 1.00 0.00 N ATOM 35 CA ALA A 955 9.746 -4.294 -6.447 1.00 0.00 C ATOM 36 C ALA A 955 11.219 -4.383 -6.062 1.00 0.00 C ATOM 37 O ALA A 955 11.685 -5.416 -5.583 1.00 0.00 O ATOM 38 CB ALA A 955 9.572 -4.549 -7.937 1.00 0.00 C ATOM 39 H ALA A 955 8.922 -2.377 -6.799 1.00 0.00 H ATOM 40 HA ALA A 955 9.198 -5.055 -5.911 1.00 0.00 H ATOM 41 HB1 ALA A 955 10.518 -4.407 -8.439 1.00 0.00 H ATOM 42 HB2 ALA A 955 9.232 -5.563 -8.092 1.00 0.00 H ATOM 43 HB3 ALA A 955 8.844 -3.860 -8.338 1.00 0.00 H ATOM 44 N GLU A 956 11.947 -3.292 -6.274 1.00 0.00 N ATOM 45 CA GLU A 956 13.368 -3.245 -5.949 1.00 0.00 C ATOM 46 C GLU A 956 13.612 -3.691 -4.510 1.00 0.00 C ATOM 47 O GLU A 956 14.518 -4.479 -4.240 1.00 0.00 O ATOM 48 H GLU A 956 11.519 -2.498 -6.659 1.00 0.00 H ATOM 49 HA GLU A 956 13.883 -3.920 -6.614 1.00 0.00 H ATOM 50 CB GLU A 956 13.913 -1.841 -6.136 1.00 0.00 C ATOM 51 CG GLU A 956 15.395 -1.840 -5.846 1.00 0.00 C ATOM 52 CD GLU A 956 15.951 -0.431 -6.041 1.00 0.00 C ATOM 53 OE1 GLU A 956 15.142 0.460 -6.416 1.00 0.00 O ATOM 54 OE2 GLU A 956 17.178 -0.259 -5.813 1.00 0.00 O ATOM 55 N ILE A 957 12.796 -3.183 -3.592 1.00 0.00 N ATOM 56 CA ILE A 957 12.923 -3.531 -2.183 1.00 0.00 C ATOM 57 C ILE A 957 12.950 -5.044 -1.991 1.00 0.00 C ATOM 58 O ILE A 957 13.652 -5.557 -1.118 1.00 0.00 O ATOM 59 CB ILE A 957 11.769 -2.940 -1.351 1.00 0.00 C ATOM 60 CG1 ILE A 957 11.735 -1.417 -1.496 1.00 0.00 C ATOM 61 CG2 ILE A 957 11.913 -3.336 0.111 1.00 0.00 C ATOM 62 CD1 ILE A 957 12.964 -0.730 -0.942 1.00 0.00 C ATOM 63 H ILE A 957 12.093 -2.560 -3.869 1.00 0.00 H ATOM 64 HA ILE A 957 13.852 -3.117 -1.819 1.00 0.00 H ATOM 65 HB ILE A 957 10.842 -3.350 -1.720 1.00 0.00 H ATOM 66 HG12 ILE A 957 11.657 -1.163 -2.541 1.00 0.00 H ATOM 67 HG13 ILE A 957 10.874 -1.032 -0.970 1.00 0.00 H ATOM 68 HG21 ILE A 957 11.545 -2.537 0.738 1.00 0.00 H ATOM 69 HG22 ILE A 957 11.344 -4.233 0.299 1.00 0.00 H ATOM 70 HG23 ILE A 957 12.955 -3.517 0.334 1.00 0.00 H ATOM 71 HD11 ILE A 957 13.840 -1.080 -1.468 1.00 0.00 H ATOM 72 HD12 ILE A 957 12.868 0.338 -1.071 1.00 0.00 H ATOM 73 HD13 ILE A 957 13.061 -0.958 0.109 1.00 0.00 H ATOM 74 N ILE A 958 12.182 -5.753 -2.812 1.00 0.00 N ATOM 75 CA ILE A 958 12.120 -7.207 -2.734 1.00 0.00 C ATOM 76 C ILE A 958 13.322 -7.846 -3.422 1.00 0.00 C ATOM 77 O ILE A 958 13.838 -8.868 -2.969 1.00 0.00 O ATOM 78 CB ILE A 958 10.829 -7.750 -3.373 1.00 0.00 C ATOM 79 CG1 ILE A 958 9.615 -6.971 -2.862 1.00 0.00 C ATOM 80 CG2 ILE A 958 10.675 -9.235 -3.077 1.00 0.00 C ATOM 81 CD1 ILE A 958 8.305 -7.431 -3.465 1.00 0.00 C ATOM 82 H ILE A 958 11.646 -5.287 -3.486 1.00 0.00 H ATOM 83 HA ILE A 958 12.127 -7.485 -1.690 1.00 0.00 H ATOM 84 HB ILE A 958 10.903 -7.627 -4.442 1.00 0.00 H ATOM 85 HG12 ILE A 958 9.545 -7.086 -1.792 1.00 0.00 H ATOM 86 HG13 ILE A 958 9.742 -5.925 -3.101 1.00 0.00 H ATOM 87 HG21 ILE A 958 9.995 -9.368 -2.248 1.00 0.00 H ATOM 88 HG22 ILE A 958 10.284 -9.737 -3.949 1.00 0.00 H ATOM 89 HG23 ILE A 958 11.638 -9.653 -2.822 1.00 0.00 H ATOM 90 HD11 ILE A 958 7.528 -6.723 -3.219 1.00 0.00 H ATOM 91 HD12 ILE A 958 8.406 -7.497 -4.538 1.00 0.00 H ATOM 92 HD13 ILE A 958 8.047 -8.401 -3.067 1.00 0.00 H ATOM 93 N ILE A 959 13.764 -7.235 -4.516 1.00 0.00 N ATOM 94 CA ILE A 959 14.907 -7.743 -5.265 1.00 0.00 C ATOM 95 C ILE A 959 16.165 -7.759 -4.403 1.00 0.00 C ATOM 96 O ILE A 959 17.024 -8.627 -4.556 1.00 0.00 O ATOM 97 CB ILE A 959 15.173 -6.900 -6.526 1.00 0.00 C ATOM 98 CG1 ILE A 959 13.939 -6.893 -7.431 1.00 0.00 C ATOM 99 CG2 ILE A 959 16.383 -7.437 -7.276 1.00 0.00 C ATOM 100 CD1 ILE A 959 13.938 -5.768 -8.442 1.00 0.00 C ATOM 101 H ILE A 959 13.311 -6.424 -4.827 1.00 0.00 H ATOM 102 HA ILE A 959 14.681 -8.754 -5.572 1.00 0.00 H ATOM 103 HB ILE A 959 15.391 -5.889 -6.217 1.00 0.00 H ATOM 104 HG12 ILE A 959 13.891 -7.825 -7.971 1.00 0.00 H ATOM 105 HG13 ILE A 959 13.054 -6.790 -6.819 1.00 0.00 H ATOM 106 HG21 ILE A 959 17.266 -7.319 -6.666 1.00 0.00 H ATOM 107 HG22 ILE A 959 16.235 -8.484 -7.496 1.00 0.00 H ATOM 108 HG23 ILE A 959 16.507 -6.890 -8.199 1.00 0.00 H ATOM 109 HD11 ILE A 959 14.860 -5.211 -8.362 1.00 0.00 H ATOM 110 HD12 ILE A 959 13.852 -6.179 -9.437 1.00 0.00 H ATOM 111 HD13 ILE A 959 13.102 -5.112 -8.251 1.00 0.00 H ATOM 112 N GLY A 960 16.266 -6.793 -3.495 1.00 0.00 N ATOM 113 CA GLY A 960 17.422 -6.715 -2.621 1.00 0.00 C ATOM 114 C GLY A 960 17.725 -8.036 -1.941 1.00 0.00 C ATOM 115 O GLY A 960 18.746 -8.673 -2.201 1.00 0.00 O ATOM 116 H GLY A 960 15.551 -6.128 -3.418 1.00 0.00 H ATOM 117 HA2 GLY A 960 18.281 -6.417 -3.203 1.00 0.00 H ATOM 118 HA3 GLY A 960 17.236 -5.968 -1.863 1.00 0.00 H ATOM 119 N PRO A 961 16.823 -8.466 -1.046 1.00 0.00 N ATOM 120 CA PRO A 961 16.978 -9.722 -0.307 1.00 0.00 C ATOM 121 C PRO A 961 16.815 -10.945 -1.204 1.00 0.00 C ATOM 122 O PRO A 961 17.389 -12.003 -0.939 1.00 0.00 O ATOM 123 CB PRO A 961 15.852 -9.666 0.729 1.00 0.00 C ATOM 124 CG PRO A 961 14.824 -8.773 0.123 1.00 0.00 C ATOM 125 CD PRO A 961 15.583 -7.758 -0.686 1.00 0.00 C ATOM 126 HA PRO A 961 17.931 -9.771 0.197 1.00 0.00 H ATOM 127 HB2 PRO A 961 15.463 -10.660 0.897 1.00 0.00 H ATOM 128 HB3 PRO A 961 16.231 -9.260 1.655 1.00 0.00 H ATOM 129 HG2 PRO A 961 14.169 -9.347 -0.514 1.00 0.00 H ATOM 130 HG3 PRO A 961 14.259 -8.284 0.902 1.00 0.00 H ATOM 131 HD2 PRO A 961 15.024 -7.485 -1.569 1.00 0.00 H ATOM 132 HD3 PRO A 961 15.798 -6.884 -0.089 1.00 0.00 H ATOM 133 N LEU A 962 16.031 -10.795 -2.265 1.00 0.00 N ATOM 134 CA LEU A 962 15.794 -11.887 -3.202 1.00 0.00 C ATOM 135 C LEU A 962 17.076 -12.261 -3.939 1.00 0.00 C ATOM 136 O LEU A 962 17.382 -13.441 -4.112 1.00 0.00 O ATOM 137 CB LEU A 962 14.709 -11.497 -4.208 1.00 0.00 C ATOM 138 CG LEU A 962 13.271 -11.823 -3.804 1.00 0.00 C ATOM 139 CD1 LEU A 962 12.296 -11.333 -4.864 1.00 0.00 C ATOM 140 CD2 LEU A 962 13.107 -13.318 -3.576 1.00 0.00 C ATOM 141 H LEU A 962 15.601 -9.929 -2.424 1.00 0.00 H ATOM 142 HA LEU A 962 15.456 -12.742 -2.635 1.00 0.00 H ATOM 143 HB2 LEU A 962 14.775 -10.431 -4.367 1.00 0.00 H ATOM 144 HB3 LEU A 962 14.919 -12.011 -5.135 1.00 0.00 H ATOM 145 HG LEU A 962 13.039 -11.315 -2.878 1.00 0.00 H ATOM 146 HD11 LEU A 962 12.569 -11.747 -5.823 1.00 0.00 H ATOM 147 HD12 LEU A 962 11.296 -11.650 -4.606 1.00 0.00 H ATOM 148 HD13 LEU A 962 12.329 -10.255 -4.913 1.00 0.00 H ATOM 149 HD21 LEU A 962 12.925 -13.505 -2.528 1.00 0.00 H ATOM 150 HD22 LEU A 962 12.272 -13.681 -4.157 1.00 0.00 H ATOM 151 HD23 LEU A 962 14.007 -13.830 -3.882 1.00 0.00 H ATOM 152 N ILE A 963 17.822 -11.249 -4.368 1.00 0.00 N ATOM 153 CA ILE A 963 19.072 -11.472 -5.083 1.00 0.00 C ATOM 154 C ILE A 963 20.195 -11.848 -4.122 1.00 0.00 C ATOM 155 O ILE A 963 21.065 -12.655 -4.452 1.00 0.00 O ATOM 156 CB ILE A 963 19.493 -10.225 -5.884 1.00 0.00 C ATOM 157 CG1 ILE A 963 18.444 -9.898 -6.948 1.00 0.00 C ATOM 158 CG2 ILE A 963 20.856 -10.443 -6.525 1.00 0.00 C ATOM 159 CD1 ILE A 963 18.319 -10.957 -8.020 1.00 0.00 C ATOM 160 H ILE A 963 17.525 -10.331 -4.199 1.00 0.00 H ATOM 161 HA ILE A 963 18.919 -12.286 -5.777 1.00 0.00 H ATOM 162 HB ILE A 963 19.573 -9.395 -5.199 1.00 0.00 H ATOM 163 HG12 ILE A 963 17.481 -9.791 -6.474 1.00 0.00 H ATOM 164 HG13 ILE A 963 18.708 -8.967 -7.429 1.00 0.00 H ATOM 165 HG21 ILE A 963 21.627 -10.329 -5.778 1.00 0.00 H ATOM 166 HG22 ILE A 963 20.902 -11.437 -6.943 1.00 0.00 H ATOM 167 HG23 ILE A 963 21.004 -9.715 -7.309 1.00 0.00 H ATOM 168 HD11 ILE A 963 18.657 -10.556 -8.964 1.00 0.00 H ATOM 169 HD12 ILE A 963 18.925 -11.811 -7.754 1.00 0.00 H ATOM 170 HD13 ILE A 963 17.287 -11.262 -8.107 1.00 0.00 H ATOM 171 N PHE A 964 20.170 -11.259 -2.931 1.00 0.00 N ATOM 172 CA PHE A 964 21.186 -11.533 -1.921 1.00 0.00 C ATOM 173 C PHE A 964 21.132 -12.992 -1.477 1.00 0.00 C ATOM 174 O PHE A 964 22.160 -13.661 -1.380 1.00 0.00 O ATOM 175 CB PHE A 964 20.995 -10.613 -0.713 1.00 0.00 C ATOM 176 CG PHE A 964 22.279 -10.036 -0.190 1.00 0.00 C ATOM 177 CD1 PHE A 964 22.861 -8.939 -0.804 1.00 0.00 C ATOM 178 CD2 PHE A 964 22.904 -10.592 0.914 1.00 0.00 C ATOM 179 CE1 PHE A 964 24.043 -8.405 -0.325 1.00 0.00 C ATOM 180 CE2 PHE A 964 24.086 -10.062 1.398 1.00 0.00 C ATOM 181 CZ PHE A 964 24.656 -8.968 0.777 1.00 0.00 C ATOM 182 H PHE A 964 19.451 -10.624 -2.727 1.00 0.00 H ATOM 183 HA PHE A 964 22.151 -11.338 -2.362 1.00 0.00 H ATOM 184 HB2 PHE A 964 20.352 -9.792 -0.993 1.00 0.00 H ATOM 185 HB3 PHE A 964 20.531 -11.172 0.085 1.00 0.00 H ATOM 186 HD1 PHE A 964 22.382 -8.497 -1.666 1.00 0.00 H ATOM 187 HD2 PHE A 964 22.460 -11.448 1.400 1.00 0.00 H ATOM 188 HE1 PHE A 964 24.487 -7.550 -0.813 1.00 0.00 H ATOM 189 HE2 PHE A 964 24.563 -10.505 2.260 1.00 0.00 H ATOM 190 HZ PHE A 964 25.579 -8.553 1.153 1.00 0.00 H ATOM 191 N VAL A 965 19.924 -13.478 -1.209 1.00 0.00 N ATOM 192 CA VAL A 965 19.735 -14.857 -0.776 1.00 0.00 C ATOM 193 C VAL A 965 19.893 -15.826 -1.942 1.00 0.00 C ATOM 194 O VAL A 965 20.389 -16.941 -1.775 1.00 0.00 O ATOM 195 CB VAL A 965 18.347 -15.060 -0.140 1.00 0.00 C ATOM 196 CG1 VAL A 965 17.251 -14.888 -1.181 1.00 0.00 C ATOM 197 CG2 VAL A 965 18.258 -16.429 0.519 1.00 0.00 C ATOM 198 H VAL A 965 19.142 -12.896 -1.305 1.00 0.00 H ATOM 199 HA VAL A 965 20.485 -15.080 -0.031 1.00 0.00 H ATOM 200 HB VAL A 965 18.209 -14.308 0.623 1.00 0.00 H ATOM 201 HG11 VAL A 965 16.338 -14.580 -0.694 1.00 0.00 H ATOM 202 HG12 VAL A 965 17.550 -14.136 -1.896 1.00 0.00 H ATOM 203 HG13 VAL A 965 17.089 -15.826 -1.691 1.00 0.00 H ATOM 204 HG21 VAL A 965 17.533 -16.397 1.319 1.00 0.00 H ATOM 205 HG22 VAL A 965 17.952 -17.161 -0.214 1.00 0.00 H ATOM 206 HG23 VAL A 965 19.224 -16.700 0.918 1.00 0.00 H ATOM 207 N PHE A 966 19.469 -15.394 -3.125 1.00 0.00 N ATOM 208 CA PHE A 966 19.564 -16.223 -4.321 1.00 0.00 C ATOM 209 C PHE A 966 21.020 -16.421 -4.733 1.00 0.00 C ATOM 210 O PHE A 966 21.490 -17.551 -4.874 1.00 0.00 O ATOM 211 CB PHE A 966 18.778 -15.589 -5.471 1.00 0.00 C ATOM 212 CG PHE A 966 18.776 -16.417 -6.724 1.00 0.00 C ATOM 213 CD1 PHE A 966 17.974 -17.542 -6.825 1.00 0.00 C ATOM 214 CD2 PHE A 966 19.577 -16.070 -7.800 1.00 0.00 C ATOM 215 CE1 PHE A 966 17.970 -18.306 -7.977 1.00 0.00 C ATOM 216 CE2 PHE A 966 19.576 -16.830 -8.955 1.00 0.00 C ATOM 217 CZ PHE A 966 18.773 -17.950 -9.043 1.00 0.00 C ATOM 218 H PHE A 966 19.084 -14.495 -3.196 1.00 0.00 H ATOM 219 HA PHE A 966 19.134 -17.186 -4.091 1.00 0.00 H ATOM 220 HB2 PHE A 966 17.753 -15.451 -5.164 1.00 0.00 H ATOM 221 HB3 PHE A 966 19.212 -14.629 -5.707 1.00 0.00 H ATOM 222 HD1 PHE A 966 17.346 -17.822 -5.992 1.00 0.00 H ATOM 223 HD2 PHE A 966 20.207 -15.195 -7.733 1.00 0.00 H ATOM 224 HE1 PHE A 966 17.340 -19.181 -8.043 1.00 0.00 H ATOM 225 HE2 PHE A 966 20.205 -16.550 -9.787 1.00 0.00 H ATOM 226 HZ PHE A 966 18.770 -18.545 -9.944 1.00 0.00 H ATOM 227 N LEU A 967 21.729 -15.314 -4.925 1.00 0.00 N ATOM 228 CA LEU A 967 23.132 -15.363 -5.321 1.00 0.00 C ATOM 229 C LEU A 967 23.969 -16.090 -4.273 1.00 0.00 C ATOM 230 O LEU A 967 24.794 -16.942 -4.604 1.00 0.00 O ATOM 231 CB LEU A 967 23.673 -13.948 -5.531 1.00 0.00 C ATOM 232 CG LEU A 967 23.380 -13.311 -6.889 1.00 0.00 C ATOM 233 CD1 LEU A 967 23.719 -11.829 -6.869 1.00 0.00 C ATOM 234 CD2 LEU A 967 24.154 -14.023 -7.990 1.00 0.00 C ATOM 235 H LEU A 967 21.300 -14.442 -4.797 1.00 0.00 H ATOM 236 HA LEU A 967 23.194 -15.905 -6.253 1.00 0.00 H ATOM 237 HB2 LEU A 967 23.245 -13.314 -4.769 1.00 0.00 H ATOM 238 HB3 LEU A 967 24.746 -13.983 -5.405 1.00 0.00 H ATOM 239 HG LEU A 967 22.325 -13.409 -7.105 1.00 0.00 H ATOM 240 HD11 LEU A 967 23.333 -11.384 -5.964 1.00 0.00 H ATOM 241 HD12 LEU A 967 24.792 -11.705 -6.902 1.00 0.00 H ATOM 242 HD13 LEU A 967 23.274 -11.346 -7.726 1.00 0.00 H ATOM 243 HD21 LEU A 967 23.463 -14.406 -8.726 1.00 0.00 H ATOM 244 HD22 LEU A 967 24.832 -13.326 -8.461 1.00 0.00 H ATOM 245 HD23 LEU A 967 24.716 -14.840 -7.564 1.00 0.00 H ATOM 246 N PHE A 968 23.749 -15.749 -3.008 1.00 0.00 N ATOM 247 CA PHE A 968 24.481 -16.370 -1.910 1.00 0.00 C ATOM 248 C PHE A 968 24.194 -17.867 -1.842 1.00 0.00 C ATOM 249 O PHE A 968 25.105 -18.678 -1.673 1.00 0.00 O ATOM 250 CB PHE A 968 24.110 -15.707 -0.582 1.00 0.00 C ATOM 251 CG PHE A 968 25.040 -16.060 0.544 1.00 0.00 C ATOM 252 CD1 PHE A 968 26.405 -15.858 0.422 1.00 0.00 C ATOM 253 CD2 PHE A 968 24.549 -16.593 1.725 1.00 0.00 C ATOM 254 CE1 PHE A 968 27.264 -16.181 1.456 1.00 0.00 C ATOM 255 CE2 PHE A 968 25.402 -16.917 2.762 1.00 0.00 C ATOM 256 CZ PHE A 968 26.761 -16.712 2.628 1.00 0.00 C ATOM 257 H PHE A 968 23.078 -15.063 -2.807 1.00 0.00 H ATOM 258 HA PHE A 968 25.535 -16.226 -2.093 1.00 0.00 H ATOM 259 HB2 PHE A 968 24.131 -14.635 -0.705 1.00 0.00 H ATOM 260 HB3 PHE A 968 23.115 -16.015 -0.300 1.00 0.00 H ATOM 261 HD1 PHE A 968 26.800 -15.442 -0.495 1.00 0.00 H ATOM 262 HD2 PHE A 968 23.486 -16.755 1.832 1.00 0.00 H ATOM 263 HE1 PHE A 968 28.326 -16.019 1.347 1.00 0.00 H ATOM 264 HE2 PHE A 968 25.007 -17.333 3.677 1.00 0.00 H ATOM 265 HZ PHE A 968 27.430 -16.964 3.437 1.00 0.00 H ATOM 266 N SER A 969 22.921 -18.226 -1.975 1.00 0.00 N ATOM 267 CA SER A 969 22.512 -19.624 -1.924 1.00 0.00 C ATOM 268 C SER A 969 23.276 -20.451 -2.954 1.00 0.00 C ATOM 269 O SER A 969 23.753 -21.547 -2.657 1.00 0.00 O ATOM 270 CB SER A 969 21.007 -19.746 -2.171 1.00 0.00 C ATOM 271 OG SER A 969 20.666 -21.050 -2.611 1.00 0.00 O ATOM 272 H SER A 969 22.241 -17.532 -2.107 1.00 0.00 H ATOM 273 HA SER A 969 22.738 -20.000 -0.938 1.00 0.00 H ATOM 274 HB2 SER A 969 20.476 -19.539 -1.254 1.00 0.00 H ATOM 275 HB3 SER A 969 20.710 -19.034 -2.927 1.00 0.00 H ATOM 276 HG SER A 969 19.737 -21.214 -2.435 1.00 0.00 H ATOM 277 N VAL A 970 23.388 -19.919 -4.167 1.00 0.00 N ATOM 278 CA VAL A 970 24.094 -20.606 -5.241 1.00 0.00 C ATOM 279 C VAL A 970 25.580 -20.734 -4.928 1.00 0.00 C ATOM 280 O VAL A 970 26.162 -21.811 -5.056 1.00 0.00 O ATOM 281 CB VAL A 970 23.925 -19.870 -6.584 1.00 0.00 C ATOM 282 CG1 VAL A 970 24.662 -20.606 -7.693 1.00 0.00 C ATOM 283 CG2 VAL A 970 22.451 -19.714 -6.924 1.00 0.00 C ATOM 284 H VAL A 970 22.986 -19.042 -4.342 1.00 0.00 H ATOM 285 HA VAL A 970 23.670 -21.594 -5.341 1.00 0.00 H ATOM 286 HB VAL A 970 24.357 -18.885 -6.488 1.00 0.00 H ATOM 287 HG11 VAL A 970 25.726 -20.541 -7.523 1.00 0.00 H ATOM 288 HG12 VAL A 970 24.360 -21.644 -7.698 1.00 0.00 H ATOM 289 HG13 VAL A 970 24.421 -20.157 -8.645 1.00 0.00 H ATOM 290 HG21 VAL A 970 22.281 -20.027 -7.944 1.00 0.00 H ATOM 291 HG22 VAL A 970 21.861 -20.326 -6.257 1.00 0.00 H ATOM 292 HG23 VAL A 970 22.163 -18.679 -6.813 1.00 0.00 H ATOM 293 N VAL A 971 26.190 -19.627 -4.516 1.00 0.00 N ATOM 294 CA VAL A 971 27.610 -19.615 -4.182 1.00 0.00 C ATOM 295 C VAL A 971 27.932 -20.656 -3.116 1.00 0.00 C ATOM 296 O VAL A 971 28.683 -21.600 -3.363 1.00 0.00 O ATOM 297 CB VAL A 971 28.057 -18.229 -3.682 1.00 0.00 C ATOM 298 CG1 VAL A 971 29.535 -18.242 -3.324 1.00 0.00 C ATOM 299 CG2 VAL A 971 27.763 -17.165 -4.729 1.00 0.00 C ATOM 300 H VAL A 971 25.673 -18.799 -4.434 1.00 0.00 H ATOM 301 HA VAL A 971 28.165 -19.848 -5.079 1.00 0.00 H ATOM 302 HB VAL A 971 27.496 -17.992 -2.790 1.00 0.00 H ATOM 303 HG11 VAL A 971 30.116 -18.489 -4.200 1.00 0.00 H ATOM 304 HG12 VAL A 971 29.827 -17.266 -2.963 1.00 0.00 H ATOM 305 HG13 VAL A 971 29.713 -18.979 -2.554 1.00 0.00 H ATOM 306 HG21 VAL A 971 27.228 -17.610 -5.554 1.00 0.00 H ATOM 307 HG22 VAL A 971 27.161 -16.384 -4.289 1.00 0.00 H ATOM 308 HG23 VAL A 971 28.692 -16.745 -5.086 1.00 0.00 H ATOM 309 N ILE A 972 27.359 -20.478 -1.930 1.00 0.00 N ATOM 310 CA ILE A 972 27.585 -21.403 -0.827 1.00 0.00 C ATOM 311 C ILE A 972 27.150 -22.817 -1.197 1.00 0.00 C ATOM 312 O ILE A 972 27.866 -23.785 -0.942 1.00 0.00 O ATOM 313 CB ILE A 972 26.830 -20.962 0.441 1.00 0.00 C ATOM 314 CG1 ILE A 972 27.250 -19.547 0.845 1.00 0.00 C ATOM 315 CG2 ILE A 972 27.084 -21.941 1.577 1.00 0.00 C ATOM 316 CD1 ILE A 972 28.734 -19.410 1.108 1.00 0.00 C ATOM 317 H ILE A 972 26.771 -19.707 -1.795 1.00 0.00 H ATOM 318 HA ILE A 972 28.643 -21.409 -0.608 1.00 0.00 H ATOM 319 HB ILE A 972 25.772 -20.967 0.223 1.00 0.00 H ATOM 320 HG12 ILE A 972 26.989 -18.861 0.055 1.00 0.00 H ATOM 321 HG13 ILE A 972 26.725 -19.268 1.747 1.00 0.00 H ATOM 322 HG21 ILE A 972 26.182 -22.498 1.781 1.00 0.00 H ATOM 323 HG22 ILE A 972 27.873 -22.623 1.295 1.00 0.00 H ATOM 324 HG23 ILE A 972 27.379 -21.397 2.462 1.00 0.00 H ATOM 325 HD11 ILE A 972 29.216 -18.990 0.238 1.00 0.00 H ATOM 326 HD12 ILE A 972 28.890 -18.759 1.955 1.00 0.00 H ATOM 327 HD13 ILE A 972 29.153 -20.383 1.318 1.00 0.00 H ATOM 328 N GLY A 973 25.972 -22.929 -1.803 1.00 0.00 N ATOM 329 CA GLY A 973 25.463 -24.228 -2.201 1.00 0.00 C ATOM 330 C GLY A 973 26.430 -24.982 -3.092 1.00 0.00 C ATOM 331 O GLY A 973 26.538 -26.205 -3.007 1.00 0.00 O ATOM 332 H GLY A 973 25.444 -22.122 -1.981 1.00 0.00 H ATOM 333 HA2 GLY A 973 25.273 -24.815 -1.315 1.00 0.00 H ATOM 334 HA3 GLY A 973 24.534 -24.090 -2.735 1.00 0.00 H ATOM 335 N SER A 974 27.135 -24.251 -3.950 1.00 0.00 N ATOM 336 CA SER A 974 28.094 -24.859 -4.864 1.00 0.00 C ATOM 337 C SER A 974 29.081 -25.743 -4.108 1.00 0.00 C ATOM 338 O SER A 974 29.495 -26.792 -4.601 1.00 0.00 O ATOM 339 CB SER A 974 28.850 -23.777 -5.637 1.00 0.00 C ATOM 340 OG SER A 974 30.103 -23.500 -5.034 1.00 0.00 O ATOM 341 H SER A 974 27.004 -23.280 -3.970 1.00 0.00 H ATOM 342 HA SER A 974 27.544 -25.471 -5.564 1.00 0.00 H ATOM 343 HB2 SER A 974 29.018 -24.111 -6.650 1.00 0.00 H ATOM 344 HB3 SER A 974 28.262 -22.870 -5.650 1.00 0.00 H ATOM 345 HG SER A 974 30.089 -22.617 -4.658 1.00 0.00 H ATOM 346 N ILE A 975 29.453 -25.310 -2.907 1.00 0.00 N ATOM 347 CA ILE A 975 30.390 -26.062 -2.082 1.00 0.00 C ATOM 348 C ILE A 975 29.842 -27.446 -1.750 1.00 0.00 C ATOM 349 O ILE A 975 30.580 -28.431 -1.741 1.00 0.00 O ATOM 350 CB ILE A 975 30.705 -25.319 -0.770 1.00 0.00 C ATOM 351 CG1 ILE A 975 31.236 -23.915 -1.068 1.00 0.00 C ATOM 352 CG2 ILE A 975 31.711 -26.107 0.056 1.00 0.00 C ATOM 353 CD1 ILE A 975 31.331 -23.032 0.156 1.00 0.00 C ATOM 354 H ILE A 975 29.088 -24.466 -2.569 1.00 0.00 H ATOM 355 HA ILE A 975 31.309 -26.174 -2.639 1.00 0.00 H ATOM 356 HB ILE A 975 29.793 -25.238 -0.200 1.00 0.00 H ATOM 357 HG12 ILE A 975 32.222 -23.993 -1.498 1.00 0.00 H ATOM 358 HG13 ILE A 975 30.577 -23.433 -1.776 1.00 0.00 H ATOM 359 HG21 ILE A 975 32.464 -25.436 0.443 1.00 0.00 H ATOM 360 HG22 ILE A 975 31.203 -26.590 0.877 1.00 0.00 H ATOM 361 HG23 ILE A 975 32.181 -26.854 -0.566 1.00 0.00 H ATOM 362 HD11 ILE A 975 30.860 -23.526 0.993 1.00 0.00 H ATOM 363 HD12 ILE A 975 32.370 -22.846 0.386 1.00 0.00 H ATOM 364 HD13 ILE A 975 30.831 -22.095 -0.036 1.00 0.00 H ATOM 365 N TYR A 976 28.543 -27.513 -1.479 1.00 0.00 N ATOM 366 CA TYR A 976 27.896 -28.776 -1.146 1.00 0.00 C ATOM 367 C TYR A 976 28.191 -29.835 -2.204 1.00 0.00 C ATOM 368 O TYR A 976 28.365 -31.013 -1.889 1.00 0.00 O ATOM 369 CB TYR A 976 26.385 -28.580 -1.012 1.00 0.00 C ATOM 370 CG TYR A 976 25.697 -29.685 -0.244 1.00 0.00 C ATOM 371 CD1 TYR A 976 24.754 -30.501 -0.857 1.00 0.00 C ATOM 372 CD2 TYR A 976 25.987 -29.913 1.096 1.00 0.00 C ATOM 373 CE1 TYR A 976 24.122 -31.512 -0.159 1.00 0.00 C ATOM 374 CE2 TYR A 976 25.361 -30.922 1.801 1.00 0.00 C ATOM 375 CZ TYR A 976 24.429 -31.718 1.169 1.00 0.00 C ATOM 376 OH TYR A 976 23.802 -32.724 1.869 1.00 0.00 O ATOM 377 H TYR A 976 28.007 -26.693 -1.502 1.00 0.00 H ATOM 378 HA TYR A 976 28.291 -29.111 -0.198 1.00 0.00 H ATOM 379 HB2 TYR A 976 26.194 -27.650 -0.498 1.00 0.00 H ATOM 380 HB3 TYR A 976 25.946 -28.537 -1.998 1.00 0.00 H ATOM 381 HD1 TYR A 976 24.516 -30.337 -1.898 1.00 0.00 H ATOM 382 HD2 TYR A 976 26.717 -29.286 1.588 1.00 0.00 H ATOM 383 HE1 TYR A 976 23.392 -32.136 -0.654 1.00 0.00 H ATOM 384 HE2 TYR A 976 25.601 -31.083 2.842 1.00 0.00 H ATOM 385 HH TYR A 976 24.460 -33.325 2.225 1.00 0.00 H ATOM 386 N LEU A 977 28.247 -29.407 -3.460 1.00 0.00 N ATOM 387 CA LEU A 977 28.522 -30.316 -4.567 1.00 0.00 C ATOM 388 C LEU A 977 30.022 -30.534 -4.733 1.00 0.00 C ATOM 389 O LEU A 977 30.479 -31.662 -4.919 1.00 0.00 O ATOM 390 CB LEU A 977 27.928 -29.766 -5.865 1.00 0.00 C ATOM 391 CG LEU A 977 26.467 -30.123 -6.139 1.00 0.00 C ATOM 392 CD1 LEU A 977 26.324 -31.611 -6.418 1.00 0.00 C ATOM 393 CD2 LEU A 977 25.588 -29.711 -4.966 1.00 0.00 C ATOM 394 H LEU A 977 28.100 -28.457 -3.649 1.00 0.00 H ATOM 395 HA LEU A 977 28.055 -31.264 -4.341 1.00 0.00 H ATOM 396 HB2 LEU A 977 28.005 -28.690 -5.833 1.00 0.00 H ATOM 397 HB3 LEU A 977 28.522 -30.143 -6.685 1.00 0.00 H ATOM 398 HG LEU A 977 26.130 -29.586 -7.015 1.00 0.00 H ATOM 399 HD11 LEU A 977 25.612 -32.040 -5.728 1.00 0.00 H ATOM 400 HD12 LEU A 977 25.977 -31.756 -7.430 1.00 0.00 H ATOM 401 HD13 LEU A 977 27.282 -32.094 -6.294 1.00 0.00 H ATOM 402 HD21 LEU A 977 25.583 -28.635 -4.881 1.00 0.00 H ATOM 403 HD22 LEU A 977 24.581 -30.064 -5.130 1.00 0.00 H ATOM 404 HD23 LEU A 977 25.977 -30.143 -4.056 1.00 0.00 H ATOM 405 N PHE A 978 30.784 -29.448 -4.663 1.00 0.00 N ATOM 406 CA PHE A 978 32.234 -29.520 -4.804 1.00 0.00 C ATOM 407 C PHE A 978 32.824 -30.540 -3.835 1.00 0.00 C ATOM 408 O PHE A 978 33.592 -31.418 -4.230 1.00 0.00 O ATOM 409 CB PHE A 978 32.860 -28.146 -4.562 1.00 0.00 C ATOM 410 CG PHE A 978 33.661 -27.638 -5.726 1.00 0.00 C ATOM 411 CD1 PHE A 978 33.102 -26.756 -6.637 1.00 0.00 C ATOM 412 CD2 PHE A 978 34.974 -28.043 -5.911 1.00 0.00 C ATOM 413 CE1 PHE A 978 33.836 -26.287 -7.710 1.00 0.00 C ATOM 414 CE2 PHE A 978 35.713 -27.576 -6.981 1.00 0.00 C ATOM 415 CZ PHE A 978 35.143 -26.698 -7.883 1.00 0.00 C ATOM 416 H PHE A 978 30.361 -28.576 -4.513 1.00 0.00 H ATOM 417 HA PHE A 978 32.452 -29.833 -5.814 1.00 0.00 H ATOM 418 HB2 PHE A 978 32.076 -27.431 -4.362 1.00 0.00 H ATOM 419 HB3 PHE A 978 33.516 -28.203 -3.706 1.00 0.00 H ATOM 420 HD1 PHE A 978 32.079 -26.434 -6.503 1.00 0.00 H ATOM 421 HD2 PHE A 978 35.420 -28.730 -5.207 1.00 0.00 H ATOM 422 HE1 PHE A 978 33.388 -25.601 -8.413 1.00 0.00 H ATOM 423 HE2 PHE A 978 36.735 -27.900 -7.114 1.00 0.00 H ATOM 424 HZ PHE A 978 35.719 -26.332 -8.719 1.00 0.00 H ATOM 425 N LEU A 979 32.462 -30.416 -2.563 1.00 0.00 N ATOM 426 CA LEU A 979 32.955 -31.326 -1.535 1.00 0.00 C ATOM 427 C LEU A 979 32.704 -32.778 -1.926 1.00 0.00 C ATOM 428 O LEU A 979 33.538 -33.650 -1.683 1.00 0.00 O ATOM 429 CB LEU A 979 32.284 -31.024 -0.194 1.00 0.00 C ATOM 430 CG LEU A 979 33.099 -30.183 0.790 1.00 0.00 C ATOM 431 CD1 LEU A 979 32.182 -29.488 1.785 1.00 0.00 C ATOM 432 CD2 LEU A 979 34.117 -31.050 1.517 1.00 0.00 C ATOM 433 H LEU A 979 31.847 -29.697 -2.308 1.00 0.00 H ATOM 434 HA LEU A 979 34.020 -31.170 -1.438 1.00 0.00 H ATOM 435 HB2 LEU A 979 31.364 -30.497 -0.396 1.00 0.00 H ATOM 436 HB3 LEU A 979 32.059 -31.967 0.283 1.00 0.00 H ATOM 437 HG LEU A 979 33.636 -29.421 0.244 1.00 0.00 H ATOM 438 HD11 LEU A 979 31.353 -29.039 1.258 1.00 0.00 H ATOM 439 HD12 LEU A 979 31.807 -30.211 2.495 1.00 0.00 H ATOM 440 HD13 LEU A 979 32.734 -28.722 2.308 1.00 0.00 H ATOM 441 HD21 LEU A 979 33.640 -31.544 2.350 1.00 0.00 H ATOM 442 HD22 LEU A 979 34.510 -31.790 0.836 1.00 0.00 H ATOM 443 HD23 LEU A 979 34.924 -30.430 1.879 1.00 0.00 H ATOM 444 N ARG A 980 31.551 -33.030 -2.536 1.00 0.00 N ATOM 445 CA ARG A 980 31.190 -34.377 -2.963 1.00 0.00 C ATOM 446 C ARG A 980 32.005 -34.797 -4.183 1.00 0.00 C ATOM 447 O ARG A 980 32.288 -35.980 -4.376 1.00 0.00 O ATOM 448 CB ARG A 980 29.696 -34.451 -3.284 1.00 0.00 C ATOM 449 CG ARG A 980 28.814 -34.579 -2.052 1.00 0.00 C ATOM 450 CD ARG A 980 28.767 -36.013 -1.548 1.00 0.00 C ATOM 451 NE ARG A 980 27.833 -36.832 -2.315 1.00 0.00 N ATOM 452 CZ ARG A 980 27.607 -38.118 -2.066 1.00 0.00 C ATOM 453 NH1 ARG A 980 28.246 -38.727 -1.077 1.00 0.00 N ATOM 454 NH2 ARG A 980 26.742 -38.796 -2.809 1.00 0.00 N ATOM 455 H ARG A 980 30.926 -32.293 -2.703 1.00 0.00 H ATOM 456 HA ARG A 980 31.408 -35.052 -2.149 1.00 0.00 H ATOM 457 HB2 ARG A 980 29.409 -33.554 -3.813 1.00 0.00 H ATOM 458 HB3 ARG A 980 29.519 -35.306 -3.918 1.00 0.00 H ATOM 459 HG2 ARG A 980 29.209 -33.947 -1.271 1.00 0.00 H ATOM 460 HG3 ARG A 980 27.813 -34.262 -2.304 1.00 0.00 H ATOM 461 HD2 ARG A 980 29.755 -36.441 -1.628 1.00 0.00 H ATOM 462 HD3 ARG A 980 28.460 -36.006 -0.513 1.00 0.00 H ATOM 463 HE ARG A 980 27.350 -36.402 -3.051 1.00 0.00 H ATOM 464 HH11 ARG A 980 28.898 -38.218 -0.515 1.00 0.00 H ATOM 465 HH12 ARG A 980 28.073 -39.694 -0.891 1.00 0.00 H ATOM 466 HH21 ARG A 980 26.259 -38.341 -3.555 1.00 0.00 H ATOM 467 HH22 ARG A 980 26.573 -39.763 -2.621 1.00 0.00 H ATOM 468 N LYS A 981 32.378 -33.821 -5.003 1.00 0.00 N ATOM 469 CA LYS A 981 33.161 -34.088 -6.204 1.00 0.00 C ATOM 470 C LYS A 981 34.589 -34.484 -5.846 1.00 0.00 C ATOM 471 O LYS A 981 35.201 -33.897 -4.953 1.00 0.00 O ATOM 472 CB LYS A 981 33.174 -32.856 -7.113 1.00 0.00 C ATOM 473 CG LYS A 981 33.291 -33.191 -8.589 1.00 0.00 C ATOM 474 CD LYS A 981 34.116 -32.154 -9.333 1.00 0.00 C ATOM 475 CE LYS A 981 34.861 -32.771 -10.507 1.00 0.00 C ATOM 476 NZ LYS A 981 34.123 -32.590 -11.788 1.00 0.00 N ATOM 477 H LYS A 981 32.122 -32.898 -4.795 1.00 0.00 H ATOM 478 HA LYS A 981 32.694 -34.907 -6.729 1.00 0.00 H ATOM 479 HB2 LYS A 981 32.260 -32.302 -6.962 1.00 0.00 H ATOM 480 HB3 LYS A 981 34.013 -32.232 -6.839 1.00 0.00 H ATOM 481 HG2 LYS A 981 33.766 -34.155 -8.694 1.00 0.00 H ATOM 482 HG3 LYS A 981 32.301 -33.227 -9.021 1.00 0.00 H ATOM 483 HD2 LYS A 981 33.458 -31.382 -9.704 1.00 0.00 H ATOM 484 HD3 LYS A 981 34.834 -31.721 -8.650 1.00 0.00 H ATOM 485 HE2 LYS A 981 35.829 -32.301 -10.589 1.00 0.00 H ATOM 486 HE3 LYS A 981 34.988 -33.827 -10.321 1.00 0.00 H ATOM 487 HZ1 LYS A 981 33.174 -32.208 -11.603 1.00 0.00 H ATOM 488 HZ2 LYS A 981 34.637 -31.929 -12.406 1.00 0.00 H ATOM 489 HZ3 LYS A 981 34.029 -33.503 -12.278 1.00 0.00 H ATOM 490 N ARG A 982 35.115 -35.483 -6.548 1.00 0.00 N ATOM 491 CA ARG A 982 36.472 -35.957 -6.303 1.00 0.00 C ATOM 492 C ARG A 982 37.135 -36.402 -7.603 1.00 0.00 C ATOM 493 O ARG A 982 36.578 -36.228 -8.687 1.00 0.00 O ATOM 494 CB ARG A 982 36.458 -37.114 -5.302 1.00 0.00 C ATOM 495 CG ARG A 982 37.684 -37.157 -4.404 1.00 0.00 C ATOM 496 CD ARG A 982 38.805 -37.972 -5.029 1.00 0.00 C ATOM 497 NE ARG A 982 39.820 -38.348 -4.049 1.00 0.00 N ATOM 498 CZ ARG A 982 41.040 -38.760 -4.376 1.00 0.00 C ATOM 499 NH1 ARG A 982 41.395 -38.847 -5.650 1.00 0.00 N ATOM 500 NH2 ARG A 982 41.908 -39.084 -3.426 1.00 0.00 N ATOM 501 H ARG A 982 34.578 -35.911 -7.246 1.00 0.00 H ATOM 502 HA ARG A 982 37.039 -35.138 -5.886 1.00 0.00 H ATOM 503 HB2 ARG A 982 35.583 -37.023 -4.676 1.00 0.00 H ATOM 504 HB3 ARG A 982 36.406 -38.044 -5.847 1.00 0.00 H ATOM 505 HG2 ARG A 982 38.035 -36.148 -4.241 1.00 0.00 H ATOM 506 HG3 ARG A 982 37.410 -37.602 -3.459 1.00 0.00 H ATOM 507 HD2 ARG A 982 38.383 -38.868 -5.459 1.00 0.00 H ATOM 508 HD3 ARG A 982 39.268 -37.384 -5.807 1.00 0.00 H ATOM 509 HE ARG A 982 39.579 -38.291 -3.101 1.00 0.00 H ATOM 510 HH11 ARG A 982 40.743 -38.602 -6.368 1.00 0.00 H ATOM 511 HH12 ARG A 982 42.314 -39.156 -5.894 1.00 0.00 H ATOM 512 HH21 ARG A 982 41.645 -39.019 -2.464 1.00 0.00 H ATOM 513 HH22 ARG A 982 42.826 -39.394 -3.673 1.00 0.00 H ATOM 1 C UNL 1 23.661 -8.234 -5.409 0.00 0.00 C ATOM 2 C UNL 1 23.095 -8.078 -3.975 0.00 0.00 C ATOM 3 C UNL 1 21.901 -7.089 -4.080 0.00 0.00 C ATOM 4 C UNL 1 21.473 -7.223 -5.546 0.00 0.00 C ATOM 5 C UNL 1 20.705 -6.045 -6.120 0.00 0.00 C ATOM 6 C UNL 1 19.357 -5.915 -5.402 0.00 0.00 C ATOM 7 C UNL 1 18.533 -4.864 -6.085 0.00 0.00 C ATOM 8 C UNL 1 18.677 -4.553 -7.339 0.00 0.00 C ATOM 9 C UNL 1 19.686 -5.191 -8.247 0.00 0.00 C ATOM 10 C UNL 1 20.710 -4.126 -8.647 0.00 0.00 C ATOM 11 C UNL 1 18.991 -5.667 -9.526 0.00 0.00 C ATOM 12 C UNL 1 18.232 -4.499 -10.157 0.00 0.00 C ATOM 13 C UNL 1 17.137 -4.021 -9.202 0.00 0.00 C ATOM 14 C UNL 1 17.778 -3.476 -7.922 0.00 0.00 C ATOM 15 C UNL 1 20.433 -6.346 -7.600 0.00 0.00 C ATOM 16 C UNL 1 21.720 -6.624 -8.370 0.00 0.00 C ATOM 17 C UNL 1 22.552 -7.733 -7.707 0.00 0.00 C ATOM 18 C UNL 1 22.836 -7.288 -6.285 0.00 0.00 C ATOM 19 C UNL 1 23.492 -5.905 -6.291 0.00 0.00 C ATOM 20 O UNL 1 16.374 -2.988 -9.829 0.00 0.00 O ATOM 21 H UNL 1 15.598 -2.783 -9.284 0.00 0.00 H ATOM 22 C UNL 1 25.891 -8.773 -6.397 0.00 0.00 C ATOM 23 C UNL 1 25.140 -7.846 -5.439 0.00 0.00 C ATOM 24 C UNL 1 25.731 -7.977 -4.034 0.00 0.00 C ATOM 25 C UNL 1 26.527 -9.280 -3.934 0.00 0.00 C ATOM 26 C UNL 1 26.372 -9.866 -2.529 0.00 0.00 C ATOM 27 C UNL 1 25.878 -11.311 -2.632 0.00 0.00 C ATOM 28 C UNL 1 24.456 -11.323 -3.200 0.00 0.00 C ATOM 29 C UNL 1 25.876 -11.950 -1.242 0.00 0.00 C If you find results from this site helpful for your research, 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