HEADER OXYGEN STORAGE/TRANSPORT 27-SEP-02 1MWB TITLE SOLUTION STRUCTURE OF THE RECOMBINANT HEMOGLOBIN FROM THE TITLE 2 CYANOBACTERIUM SYNECHOCYSTIS SP. PCC 6803 IN ITS TITLE 3 HEMICHROME STATE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYANOGLOBIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: HEMOGLOBIN, HB; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; SOURCE 3 ORGANISM_COMMON: CYANOBACTERIA; SOURCE 4 STRAIN: PCC 6803; SOURCE 5 GENE: SLR2097 (GLBN); SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_COMMON: BACTERIA; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET3C KEYWDS GLOBIN, CYANOGLOBIN EXPDTA NMR, 20 STRUCTURES AUTHOR C.J.FALZONE,B.C.VU,N.L.SCOTT,J.T.LECOMTE REVDAT 1 04-DEC-02 1MWB 0 JRNL AUTH C.J.FALZONE,B.C.VU,N.L.SCOTT,J.T.LECOMTE JRNL TITL THE SOLUTION STRUCTURE OF THE RECOMBINANT JRNL TITL 2 HEMOGLOBIN FROM THE CYANOBACTERIUM SYNECHOCYSTIS JRNL TITL 3 SP. PCC 6803 IN ITS HEMICHROME STATE JRNL REF J.MOL.BIOL. V. 324 1015 2002 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.J.FALZONE,J.T.LECOMTE REMARK 1 TITL ASSIGNMENT OF THE 1H, 13C, AND 15N SIGNALS OF REMARK 1 TITL 2 SYNECHOCYSTIS SP. PCC 6803 METHEMOGLOBIN REMARK 1 REF J.BIOMOL.NMR V. 23 71 2002 REMARK 1 REFN ASTM JBNME9 NE ISSN 0925-2738 REMARK 1 REFERENCE 2 REMARK 1 AUTH N.L.SCOTT,J.T.LECOMTE REMARK 1 TITL CLONING, EXPRESSION, PURIFICATION, AND PRELIMINARY REMARK 1 TITL 2 CHARACTERIZATION OF A PUTATIVE HEMOGLOBIN FROM THE REMARK 1 TITL 3 CYANOBACTERIUM SYNECHOCYSTIS SP. PCC 6803 REMARK 1 REF PROTEIN SCI. V. 9 587 2000 REMARK 1 REFN ASTM PRCIEI US ISSN 0961-8368 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR-NIH 1.2.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1MWB COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB . REMARK 100 THE RCSB ID CODE IS RCSB017245. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.5 REMARK 210 IONIC STRENGTH : 50 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.6 - 2 MM PROTEIN, 20 MM K REMARK 210 OR NA PHOSPHATE; 0.6 - 2 MM REMARK 210 PROTEIN, 20 MM K OR NA REMARK 210 PHOSPHATE; 1 MM U-15N PROTEIN, REMARK 210 20 MM K OR NA PHOSPHATE; 1 MM REMARK 210 U-15N, 13C PROTEIN, 20 MM K OR REMARK 210 NA PHOSPHATE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_13C-SEPARATED_ REMARK 210 NOESY, 3D_15N-SEPARATED_NOESY, REMARK 210 J-MODULATED 1H-15N HSQC, 2D REMARK 210 TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX, INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.851, FELIX 2000, REMARK 210 XWINNMR 2.5, NMRPIPE 2.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING, MOLECULAR DYNAMICS, REMARK 210 TORSIONAL ANGLE DATABASE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH LOWEST ENERGY REMARK 210 AND LEAST RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS IS A LOW-SPIN FE(+3) COMPLEX. STANDARD METHODS AS REMARK 210 APPLIED TO DIMAGNETIC PROTEINS WERE USED TO DETERMINE THE REMARK 210 STRUCTURE. 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 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 M RES CSSEQI PSI PHI REMARK 500 11 THR A 11 -89.29 44.83 REMARK 500 12 THR A 11 -101.69 39.75 REMARK 500 15 ASP A 59 127.36 59.43 REMARK 500 17 ASN A 123 -68.56 59.29 REMARK 999 REMARK 999 SEQUENCE REMARK 999 AUTHORS INFORMED THAT MET 1 IN SWISSPROT P73925 REMARK 999 WAS CLEAVED POST-TRANSLATIONALLY DBREF 1MWB A 2 124 UNP P73925 GLBN_SYNY3 2 124 SEQRES 1 A 123 SER THR LEU TYR GLU LYS LEU GLY GLY THR THR ALA VAL SEQRES 2 A 123 ASP LEU ALA VAL ASP LYS PHE TYR GLU ARG VAL LEU GLN SEQRES 3 A 123 ASP ASP ARG ILE LYS HIS PHE PHE ALA ASP VAL ASP MET SEQRES 4 A 123 ALA LYS GLN ARG ALA HIS GLN LYS ALA PHE LEU THR TYR SEQRES 5 A 123 ALA PHE GLY GLY THR ASP LYS TYR ASP GLY ARG TYR MET SEQRES 6 A 123 ARG GLU ALA HIS LYS GLU LEU VAL GLU ASN HIS GLY LEU SEQRES 7 A 123 ASN GLY GLU HIS PHE ASP ALA VAL ALA GLU ASP LEU LEU SEQRES 8 A 123 ALA THR LEU LYS GLU MET GLY VAL PRO GLU ASP LEU ILE SEQRES 9 A 123 ALA GLU VAL ALA ALA VAL ALA GLY ALA PRO ALA HIS LYS SEQRES 10 A 123 ARG ASP VAL LEU ASN GLN HET HEM A 125 73 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 HELIX 1 1 SER A 2 LYS A 7 5 6 HELIX 2 2 GLY A 10 ASP A 28 1 19 HELIX 3 3 ASP A 28 ALA A 36 1 9 HELIX 4 4 ASP A 39 GLY A 56 1 18 HELIX 5 5 GLY A 63 HIS A 77 1 15 HELIX 6 6 ASN A 80 GLY A 99 1 20 HELIX 7 7 PRO A 101 ALA A 114 1 14 HELIX 8 8 ALA A 114 ASN A 123 1 10 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 MODEL 1 ATOM 1 N SER A 2 18.797 -1.428 15.386 1.00 8.02 N ATOM 2 CA SER A 2 17.604 -2.125 14.827 1.00 7.57 C ATOM 3 C SER A 2 18.055 -3.135 13.776 1.00 7.00 C ATOM 4 O SER A 2 18.088 -2.833 12.583 1.00 6.53 O ATOM 5 CB SER A 2 16.666 -1.096 14.196 1.00 8.13 C ATOM 6 OG SER A 2 15.657 -1.772 13.458 1.00 8.37 O ATOM 7 HA SER A 2 17.087 -2.642 15.621 1.00 7.56 H ATOM 8 HB2 SER A 2 16.203 -0.506 14.969 1.00 8.18 H ATOM 9 HB3 SER A 2 17.232 -0.447 13.542 1.00 8.56 H ATOM 10 HG SER A 2 14.825 -1.663 13.923 1.00 8.43 H ATOM 11 H1 SER A 2 19.231 -2.020 16.122 1.00 8.27 H ATOM 12 H2 SER A 2 18.504 -0.518 15.798 1.00 8.23 H ATOM 13 H3 SER A 2 19.488 -1.260 14.628 1.00 8.11 H ATOM 14 N THR A 3 18.402 -4.334 14.230 1.00 7.29 N ATOM 15 CA THR A 3 18.853 -5.386 13.326 1.00 7.13 C ATOM 16 C THR A 3 17.697 -5.900 12.471 1.00 6.30 C ATOM 17 O THR A 3 17.907 -6.627 11.501 1.00 6.27 O ATOM 18 CB THR A 3 19.447 -6.544 14.130 1.00 7.93 C ATOM 19 OG1 THR A 3 18.425 -7.146 14.913 1.00 8.13 O ATOM 20 CG2 THR A 3 20.553 -6.018 15.045 1.00 8.25 C ATOM 21 H THR A 3 18.357 -4.515 15.192 1.00 7.78 H ATOM 22 HA THR A 3 19.617 -4.986 12.677 1.00 7.28 H ATOM 23 HB THR A 3 19.862 -7.276 13.454 1.00 8.37 H ATOM 24 HG1 THR A 3 17.891 -6.445 15.293 1.00 8.14 H ATOM 25 HG21 THR A 3 21.125 -6.848 15.432 1.00 8.52 H ATOM 26 HG22 THR A 3 20.111 -5.472 15.866 1.00 8.39 H ATOM 27 HG23 THR A 3 21.203 -5.363 14.485 1.00 8.35 H ATOM 28 N LEU A 4 16.478 -5.524 12.842 1.00 5.96 N ATOM 29 CA LEU A 4 15.297 -5.961 12.103 1.00 5.52 C ATOM 30 C LEU A 4 15.414 -5.580 10.630 1.00 4.92 C ATOM 31 O LEU A 4 14.993 -6.331 9.751 1.00 4.91 O ATOM 32 CB LEU A 4 14.041 -5.316 12.696 1.00 5.83 C ATOM 33 CG LEU A 4 13.972 -5.584 14.205 1.00 6.39 C ATOM 34 CD1 LEU A 4 12.685 -4.972 14.764 1.00 6.72 C ATOM 35 CD2 LEU A 4 13.981 -7.098 14.474 1.00 6.85 C ATOM 36 H LEU A 4 16.368 -4.947 13.627 1.00 6.26 H ATOM 37 HA LEU A 4 15.210 -7.033 12.178 1.00 5.76 H ATOM 38 HB2 LEU A 4 14.071 -4.250 12.522 1.00 6.01 H ATOM 39 HB3 LEU A 4 13.166 -5.733 12.220 1.00 5.89 H ATOM 40 HG LEU A 4 14.824 -5.126 14.688 1.00 6.65 H ATOM 41 HD11 LEU A 4 11.836 -5.364 14.224 1.00 7.17 H ATOM 42 HD12 LEU A 4 12.718 -3.899 14.652 1.00 6.68 H ATOM 43 HD13 LEU A 4 12.593 -5.222 15.811 1.00 6.88 H ATOM 44 HD21 LEU A 4 13.558 -7.298 15.448 1.00 7.10 H ATOM 45 HD22 LEU A 4 14.998 -7.462 14.448 1.00 7.02 H ATOM 46 HD23 LEU A 4 13.398 -7.606 13.718 1.00 7.06 H ATOM 47 N TYR A 5 15.987 -4.410 10.367 1.00 4.77 N ATOM 48 CA TYR A 5 16.151 -3.944 8.994 1.00 4.43 C ATOM 49 C TYR A 5 17.136 -4.829 8.236 1.00 4.90 C ATOM 50 O TYR A 5 17.138 -4.856 7.006 1.00 4.97 O ATOM 51 CB TYR A 5 16.645 -2.496 8.981 1.00 4.63 C ATOM 52 CG TYR A 5 15.591 -1.598 9.588 1.00 4.42 C ATOM 53 CD1 TYR A 5 14.418 -1.318 8.876 1.00 4.36 C ATOM 54 CD2 TYR A 5 15.787 -1.042 10.858 1.00 4.82 C ATOM 55 CE1 TYR A 5 13.442 -0.485 9.435 1.00 4.63 C ATOM 56 CE2 TYR A 5 14.811 -0.209 11.417 1.00 5.01 C ATOM 57 CZ TYR A 5 13.638 0.070 10.705 1.00 4.88 C ATOM 58 OH TYR A 5 12.675 0.891 11.256 1.00 5.43 O ATOM 59 H TYR A 5 16.304 -3.851 11.107 1.00 5.12 H ATOM 60 HA TYR A 5 15.194 -3.987 8.497 1.00 4.14 H ATOM 61 HB2 TYR A 5 17.559 -2.423 9.552 1.00 4.91 H ATOM 62 HB3 TYR A 5 16.833 -2.191 7.962 1.00 5.06 H ATOM 63 HD1 TYR A 5 14.266 -1.746 7.897 1.00 4.48 H ATOM 64 HD2 TYR A 5 16.692 -1.257 11.407 1.00 5.29 H ATOM 65 HE1 TYR A 5 12.537 -0.269 8.885 1.00 4.97 H ATOM 66 HE2 TYR A 5 14.962 0.218 12.397 1.00 5.55 H ATOM 67 HH TYR A 5 12.950 1.801 11.122 1.00 5.79 H ATOM 68 N GLU A 6 17.976 -5.548 8.971 1.00 5.53 N ATOM 69 CA GLU A 6 18.960 -6.421 8.340 1.00 6.31 C ATOM 70 C GLU A 6 18.277 -7.362 7.352 1.00 6.48 C ATOM 71 O GLU A 6 18.829 -7.674 6.296 1.00 7.07 O ATOM 72 CB GLU A 6 19.693 -7.237 9.408 1.00 7.13 C ATOM 73 CG GLU A 6 20.843 -8.016 8.764 1.00 7.59 C ATOM 74 CD GLU A 6 21.526 -8.893 9.808 1.00 8.36 C ATOM 75 OE1 GLU A 6 21.084 -8.880 10.945 1.00 8.95 O ATOM 76 OE2 GLU A 6 22.481 -9.566 9.455 1.00 8.58 O ATOM 77 H GLU A 6 17.938 -5.489 9.948 1.00 5.63 H ATOM 78 HA GLU A 6 19.678 -5.815 7.809 1.00 6.49 H ATOM 79 HB2 GLU A 6 20.088 -6.570 10.162 1.00 7.39 H ATOM 80 HB3 GLU A 6 19.005 -7.931 9.867 1.00 7.40 H ATOM 81 HG2 GLU A 6 20.456 -8.639 7.971 1.00 7.61 H ATOM 82 HG3 GLU A 6 21.562 -7.322 8.356 1.00 7.66 H ATOM 83 N LYS A 7 17.074 -7.807 7.698 1.00 6.29 N ATOM 84 CA LYS A 7 16.325 -8.709 6.828 1.00 6.82 C ATOM 85 C LYS A 7 16.046 -8.049 5.480 1.00 6.62 C ATOM 86 O LYS A 7 16.096 -8.700 4.437 1.00 7.39 O ATOM 87 CB LYS A 7 15.002 -9.094 7.493 1.00 7.04 C ATOM 88 CG LYS A 7 15.286 -9.891 8.773 1.00 7.46 C ATOM 89 CD LYS A 7 13.966 -10.250 9.483 1.00 7.91 C ATOM 90 CE LYS A 7 13.379 -11.543 8.900 1.00 8.21 C ATOM 91 NZ LYS A 7 14.068 -12.717 9.508 1.00 8.48 N ATOM 92 H LYS A 7 16.681 -7.523 8.550 1.00 6.02 H ATOM 93 HA LYS A 7 16.907 -9.604 6.667 1.00 7.50 H ATOM 94 HB2 LYS A 7 14.450 -8.198 7.740 1.00 7.19 H ATOM 95 HB3 LYS A 7 14.422 -9.697 6.813 1.00 7.05 H ATOM 96 HG2 LYS A 7 15.821 -10.795 8.520 1.00 7.31 H ATOM 97 HG3 LYS A 7 15.894 -9.292 9.435 1.00 7.89 H ATOM 98 HD2 LYS A 7 14.156 -10.392 10.537 1.00 8.32 H ATOM 99 HD3 LYS A 7 13.254 -9.447 9.356 1.00 7.91 H ATOM 100 HE2 LYS A 7 12.324 -11.591 9.125 1.00 8.13 H ATOM 101 HE3 LYS A 7 13.519 -11.560 7.831 1.00 8.59 H ATOM 102 HZ1 LYS A 7 14.808 -12.387 10.158 1.00 8.78 H ATOM 103 HZ2 LYS A 7 14.498 -13.294 8.756 1.00 8.74 H ATOM 104 HZ3 LYS A 7 13.378 -13.290 10.033 1.00 8.37 H ATOM 105 N LEU A 8 15.755 -6.752 5.512 1.00 5.77 N ATOM 106 CA LEU A 8 15.471 -6.009 4.288 1.00 5.79 C ATOM 107 C LEU A 8 16.721 -5.924 3.415 1.00 5.70 C ATOM 108 O LEU A 8 16.629 -5.788 2.195 1.00 6.06 O ATOM 109 CB LEU A 8 14.972 -4.594 4.619 1.00 5.21 C ATOM 110 CG LEU A 8 13.516 -4.628 5.128 1.00 5.86 C ATOM 111 CD1 LEU A 8 12.539 -4.920 3.974 1.00 6.26 C ATOM 112 CD2 LEU A 8 13.363 -5.701 6.213 1.00 6.62 C ATOM 113 H LEU A 8 15.733 -6.286 6.373 1.00 5.31 H ATOM 114 HA LEU A 8 14.705 -6.530 3.738 1.00 6.61 H ATOM 115 HB2 LEU A 8 15.602 -4.167 5.384 1.00 4.50 H ATOM 116 HB3 LEU A 8 15.028 -3.977 3.734 1.00 5.39 H ATOM 117 HG LEU A 8 13.274 -3.663 5.551 1.00 5.85 H ATOM 118 HD11 LEU A 8 12.884 -4.440 3.070 1.00 6.44 H ATOM 119 HD12 LEU A 8 11.563 -4.535 4.229 1.00 6.55 H ATOM 120 HD13 LEU A 8 12.468 -5.985 3.810 1.00 6.43 H ATOM 121 HD21 LEU A 8 13.378 -6.680 5.758 1.00 6.91 H ATOM 122 HD22 LEU A 8 12.422 -5.560 6.725 1.00 6.81 H ATOM 123 HD23 LEU A 8 14.172 -5.617 6.922 1.00 6.97 H ATOM 124 N GLY A 9 17.891 -5.998 4.051 1.00 5.59 N ATOM 125 CA GLY A 9 19.164 -5.922 3.331 1.00 5.92 C ATOM 126 C GLY A 9 19.835 -4.571 3.559 1.00 4.97 C ATOM 127 O GLY A 9 20.736 -4.180 2.816 1.00 5.33 O ATOM 128 H GLY A 9 17.899 -6.102 5.026 1.00 5.54 H ATOM 129 HA2 GLY A 9 19.818 -6.705 3.688 1.00 6.51 H ATOM 130 HA3 GLY A 9 18.996 -6.057 2.271 1.00 6.52 H ATOM 131 N GLY A 10 19.390 -3.864 4.598 1.00 4.00 N ATOM 132 CA GLY A 10 19.947 -2.551 4.938 1.00 3.35 C ATOM 133 C GLY A 10 18.847 -1.498 5.018 1.00 2.91 C ATOM 134 O GLY A 10 17.764 -1.674 4.461 1.00 3.18 O ATOM 135 H GLY A 10 18.672 -4.234 5.152 1.00 3.96 H ATOM 136 HA2 GLY A 10 20.442 -2.617 5.896 1.00 3.28 H ATOM 137 HA3 GLY A 10 20.666 -2.250 4.188 1.00 3.78 H ATOM 138 N THR A 11 19.134 -0.405 5.717 1.00 2.93 N ATOM 139 CA THR A 11 18.164 0.674 5.870 1.00 3.09 C ATOM 140 C THR A 11 18.113 1.542 4.617 1.00 2.86 C ATOM 141 O THR A 11 17.068 2.096 4.276 1.00 2.93 O ATOM 142 CB THR A 11 18.534 1.540 7.076 1.00 3.57 C ATOM 143 OG1 THR A 11 17.540 2.537 7.263 1.00 3.55 O ATOM 144 CG2 THR A 11 19.889 2.205 6.831 1.00 4.39 C ATOM 145 H THR A 11 20.014 -0.323 6.140 1.00 3.29 H ATOM 146 HA THR A 11 17.188 0.245 6.038 1.00 3.46 H ATOM 147 HB THR A 11 18.596 0.922 7.958 1.00 3.90 H ATOM 148 HG1 THR A 11 16.689 2.154 7.038 1.00 4.03 H ATOM 149 HG21 THR A 11 20.246 2.644 7.751 1.00 4.80 H ATOM 150 HG22 THR A 11 19.781 2.976 6.083 1.00 4.73 H ATOM 151 HG23 THR A 11 20.597 1.466 6.487 1.00 4.67 H ATOM 152 N THR A 12 19.249 1.666 3.940 1.00 2.93 N ATOM 153 CA THR A 12 19.320 2.481 2.732 1.00 3.17 C ATOM 154 C THR A 12 18.305 2.005 1.696 1.00 2.66 C ATOM 155 O THR A 12 17.626 2.813 1.062 1.00 2.87 O ATOM 156 CB THR A 12 20.731 2.414 2.137 1.00 3.74 C ATOM 157 OG1 THR A 12 20.669 2.699 0.747 1.00 3.96 O ATOM 158 CG2 THR A 12 21.313 1.015 2.346 1.00 4.50 C ATOM 159 H THR A 12 20.054 1.209 4.261 1.00 3.07 H ATOM 160 HA THR A 12 19.099 3.505 2.990 1.00 3.57 H ATOM 161 HB THR A 12 21.366 3.138 2.625 1.00 3.95 H ATOM 162 HG1 THR A 12 21.169 2.024 0.283 1.00 4.20 H ATOM 163 HG21 THR A 12 20.569 0.274 2.094 1.00 4.80 H ATOM 164 HG22 THR A 12 21.603 0.896 3.379 1.00 4.86 H ATOM 165 HG23 THR A 12 22.178 0.886 1.712 1.00 4.81 H ATOM 166 N ALA A 13 18.210 0.691 1.525 1.00 2.20 N ATOM 167 CA ALA A 13 17.279 0.119 0.558 1.00 1.95 C ATOM 168 C ALA A 13 15.830 0.362 0.975 1.00 1.47 C ATOM 169 O ALA A 13 14.951 0.518 0.127 1.00 1.42 O ATOM 170 CB ALA A 13 17.526 -1.384 0.426 1.00 2.14 C ATOM 171 H ALA A 13 18.778 0.095 2.056 1.00 2.25 H ATOM 172 HA ALA A 13 17.447 0.582 -0.402 1.00 2.22 H ATOM 173 HB1 ALA A 13 17.323 -1.867 1.371 1.00 2.39 H ATOM 174 HB2 ALA A 13 18.555 -1.557 0.148 1.00 2.50 H ATOM 175 HB3 ALA A 13 16.875 -1.791 -0.333 1.00 2.37 H ATOM 176 N VAL A 14 15.583 0.378 2.281 1.00 1.36 N ATOM 177 CA VAL A 14 14.229 0.586 2.788 1.00 1.32 C ATOM 178 C VAL A 14 13.682 1.945 2.359 1.00 1.20 C ATOM 179 O VAL A 14 12.552 2.042 1.878 1.00 1.17 O ATOM 180 CB VAL A 14 14.229 0.491 4.317 1.00 1.74 C ATOM 181 CG1 VAL A 14 12.833 0.813 4.856 1.00 2.16 C ATOM 182 CG2 VAL A 14 14.621 -0.928 4.738 1.00 1.87 C ATOM 183 H VAL A 14 16.319 0.238 2.913 1.00 1.53 H ATOM 184 HA VAL A 14 13.588 -0.188 2.395 1.00 1.44 H ATOM 185 HB VAL A 14 14.940 1.197 4.720 1.00 1.92 H ATOM 186 HG11 VAL A 14 12.773 0.525 5.895 1.00 2.33 H ATOM 187 HG12 VAL A 14 12.093 0.269 4.288 1.00 2.37 H ATOM 188 HG13 VAL A 14 12.648 1.873 4.765 1.00 2.71 H ATOM 189 HG21 VAL A 14 15.470 -1.255 4.157 1.00 2.26 H ATOM 190 HG22 VAL A 14 13.790 -1.597 4.569 1.00 2.11 H ATOM 191 HG23 VAL A 14 14.879 -0.933 5.787 1.00 2.11 H ATOM 192 N ASP A 15 14.482 2.992 2.533 1.00 1.35 N ATOM 193 CA ASP A 15 14.051 4.335 2.156 1.00 1.49 C ATOM 194 C ASP A 15 13.915 4.454 0.642 1.00 1.26 C ATOM 195 O ASP A 15 13.055 5.180 0.141 1.00 1.18 O ATOM 196 CB ASP A 15 15.047 5.377 2.672 1.00 1.97 C ATOM 197 CG ASP A 15 16.383 5.241 1.948 1.00 2.69 C ATOM 198 OD1 ASP A 15 16.389 5.326 0.732 1.00 3.18 O ATOM 199 OD2 ASP A 15 17.382 5.064 2.623 1.00 3.32 O ATOM 200 H ASP A 15 15.372 2.861 2.921 1.00 1.50 H ATOM 201 HA ASP A 15 13.088 4.527 2.606 1.00 1.58 H ATOM 202 HB2 ASP A 15 14.648 6.366 2.502 1.00 1.98 H ATOM 203 HB3 ASP A 15 15.200 5.231 3.731 1.00 2.40 H ATOM 204 N LEU A 16 14.772 3.743 -0.081 1.00 1.29 N ATOM 205 CA LEU A 16 14.745 3.782 -1.539 1.00 1.34 C ATOM 206 C LEU A 16 13.386 3.327 -2.059 1.00 1.04 C ATOM 207 O LEU A 16 12.849 3.904 -3.005 1.00 1.14 O ATOM 208 CB LEU A 16 15.855 2.872 -2.094 1.00 1.55 C ATOM 209 CG LEU A 16 16.051 3.090 -3.619 1.00 1.86 C ATOM 210 CD1 LEU A 16 17.509 2.801 -3.997 1.00 2.09 C ATOM 211 CD2 LEU A 16 15.145 2.147 -4.432 1.00 2.82 C ATOM 212 H LEU A 16 15.439 3.187 0.373 1.00 1.39 H ATOM 213 HA LEU A 16 14.926 4.795 -1.863 1.00 1.59 H ATOM 214 HB2 LEU A 16 16.777 3.100 -1.575 1.00 1.68 H ATOM 215 HB3 LEU A 16 15.594 1.842 -1.903 1.00 1.72 H ATOM 216 HG LEU A 16 15.821 4.115 -3.873 1.00 2.21 H ATOM 217 HD11 LEU A 16 17.753 1.782 -3.735 1.00 2.50 H ATOM 218 HD12 LEU A 16 18.160 3.476 -3.462 1.00 2.39 H ATOM 219 HD13 LEU A 16 17.640 2.941 -5.060 1.00 2.54 H ATOM 220 HD21 LEU A 16 14.122 2.478 -4.368 1.00 3.36 H ATOM 221 HD22 LEU A 16 15.223 1.140 -4.049 1.00 3.25 H ATOM 222 HD23 LEU A 16 15.457 2.157 -5.467 1.00 3.20 H ATOM 223 N ALA A 17 12.836 2.289 -1.440 1.00 0.83 N ATOM 224 CA ALA A 17 11.540 1.765 -1.857 1.00 0.80 C ATOM 225 C ALA A 17 10.430 2.780 -1.601 1.00 0.63 C ATOM 226 O ALA A 17 9.552 2.977 -2.440 1.00 0.69 O ATOM 227 CB ALA A 17 11.233 0.472 -1.100 1.00 0.94 C ATOM 228 H ALA A 17 13.309 1.865 -0.693 1.00 0.87 H ATOM 229 HA ALA A 17 11.576 1.547 -2.914 1.00 1.03 H ATOM 230 HB1 ALA A 17 10.932 0.708 -0.090 1.00 1.15 H ATOM 231 HB2 ALA A 17 12.117 -0.149 -1.076 1.00 1.51 H ATOM 232 HB3 ALA A 17 10.435 -0.057 -1.600 1.00 1.47 H ATOM 233 N VAL A 18 10.470 3.417 -0.435 1.00 0.55 N ATOM 234 CA VAL A 18 9.453 4.402 -0.082 1.00 0.60 C ATOM 235 C VAL A 18 9.514 5.609 -1.013 1.00 0.57 C ATOM 236 O VAL A 18 8.482 6.106 -1.466 1.00 0.62 O ATOM 237 CB VAL A 18 9.651 4.860 1.365 1.00 0.82 C ATOM 238 CG1 VAL A 18 8.655 5.975 1.693 1.00 0.95 C ATOM 239 CG2 VAL A 18 9.419 3.677 2.308 1.00 0.95 C ATOM 240 H VAL A 18 11.189 3.217 0.200 1.00 0.59 H ATOM 241 HA VAL A 18 8.480 3.943 -0.169 1.00 0.68 H ATOM 242 HB VAL A 18 10.658 5.230 1.490 1.00 0.87 H ATOM 243 HG11 VAL A 18 8.966 6.890 1.210 1.00 1.48 H ATOM 244 HG12 VAL A 18 8.621 6.126 2.762 1.00 1.33 H ATOM 245 HG13 VAL A 18 7.673 5.697 1.338 1.00 1.36 H ATOM 246 HG21 VAL A 18 8.404 3.323 2.198 1.00 1.48 H ATOM 247 HG22 VAL A 18 9.581 3.993 3.328 1.00 1.53 H ATOM 248 HG23 VAL A 18 10.106 2.881 2.064 1.00 1.21 H ATOM 249 N ASP A 19 10.724 6.085 -1.287 1.00 0.57 N ATOM 250 CA ASP A 19 10.892 7.243 -2.157 1.00 0.65 C ATOM 251 C ASP A 19 10.351 6.962 -3.554 1.00 0.57 C ATOM 252 O ASP A 19 9.575 7.747 -4.099 1.00 0.61 O ATOM 253 CB ASP A 19 12.374 7.607 -2.254 1.00 0.78 C ATOM 254 CG ASP A 19 12.867 8.153 -0.918 1.00 1.07 C ATOM 255 OD1 ASP A 19 12.035 8.417 -0.065 1.00 1.71 O ATOM 256 OD2 ASP A 19 14.068 8.298 -0.767 1.00 1.53 O ATOM 257 H ASP A 19 11.513 5.657 -0.894 1.00 0.58 H ATOM 258 HA ASP A 19 10.357 8.080 -1.735 1.00 0.78 H ATOM 259 HB2 ASP A 19 12.942 6.725 -2.512 1.00 0.92 H ATOM 260 HB3 ASP A 19 12.509 8.355 -3.019 1.00 0.78 H ATOM 261 N LYS A 20 10.764 5.839 -4.128 1.00 0.55 N ATOM 262 CA LYS A 20 10.312 5.469 -5.464 1.00 0.59 C ATOM 263 C LYS A 20 8.811 5.194 -5.469 1.00 0.49 C ATOM 264 O LYS A 20 8.088 5.667 -6.345 1.00 0.57 O ATOM 265 CB LYS A 20 11.065 4.227 -5.945 1.00 0.70 C ATOM 266 CG LYS A 20 10.741 3.971 -7.418 1.00 0.96 C ATOM 267 CD LYS A 20 11.467 2.709 -7.890 1.00 1.53 C ATOM 268 CE LYS A 20 11.337 2.583 -9.410 1.00 2.07 C ATOM 269 NZ LYS A 20 9.967 2.995 -9.828 1.00 2.52 N ATOM 270 H LYS A 20 11.385 5.253 -3.648 1.00 0.60 H ATOM 271 HA LYS A 20 10.520 6.284 -6.141 1.00 0.70 H ATOM 272 HB2 LYS A 20 12.128 4.384 -5.831 1.00 1.00 H ATOM 273 HB3 LYS A 20 10.763 3.372 -5.358 1.00 0.89 H ATOM 274 HG2 LYS A 20 9.675 3.839 -7.534 1.00 1.54 H ATOM 275 HG3 LYS A 20 11.066 4.813 -8.010 1.00 1.45 H ATOM 276 HD2 LYS A 20 12.511 2.774 -7.621 1.00 1.96 H ATOM 277 HD3 LYS A 20 11.026 1.843 -7.420 1.00 2.12 H ATOM 278 HE2 LYS A 20 12.066 3.221 -9.887 1.00 2.50 H ATOM 279 HE3 LYS A 20 11.510 1.558 -9.702 1.00 2.59 H ATOM 280 HZ1 LYS A 20 9.270 2.337 -9.428 1.00 2.87 H ATOM 281 HZ2 LYS A 20 9.903 2.980 -10.867 1.00 2.97 H ATOM 282 HZ3 LYS A 20 9.773 3.956 -9.482 1.00 2.83 H ATOM 283 N PHE A 21 8.352 4.429 -4.484 1.00 0.45 N ATOM 284 CA PHE A 21 6.935 4.091 -4.379 1.00 0.47 C ATOM 285 C PHE A 21 6.091 5.357 -4.263 1.00 0.49 C ATOM 286 O PHE A 21 5.006 5.449 -4.836 1.00 0.59 O ATOM 287 CB PHE A 21 6.707 3.199 -3.155 1.00 0.54 C ATOM 288 CG PHE A 21 5.295 2.661 -3.164 1.00 0.51 C ATOM 289 CD1 PHE A 21 4.966 1.586 -3.999 1.00 1.28 C ATOM 290 CD2 PHE A 21 4.319 3.227 -2.334 1.00 1.35 C ATOM 291 CE1 PHE A 21 3.663 1.077 -4.005 1.00 1.27 C ATOM 292 CE2 PHE A 21 3.014 2.716 -2.341 1.00 1.39 C ATOM 293 CZ PHE A 21 2.687 1.642 -3.176 1.00 0.58 C ATOM 294 H PHE A 21 8.978 4.082 -3.814 1.00 0.50 H ATOM 295 HA PHE A 21 6.637 3.551 -5.264 1.00 0.53 H ATOM 296 HB2 PHE A 21 7.404 2.374 -3.180 1.00 0.62 H ATOM 297 HB3 PHE A 21 6.866 3.775 -2.256 1.00 0.61 H ATOM 298 HD1 PHE A 21 5.719 1.150 -4.639 1.00 2.17 H ATOM 299 HD2 PHE A 21 4.571 4.056 -1.690 1.00 2.23 H ATOM 300 HE1 PHE A 21 3.410 0.247 -4.648 1.00 2.14 H ATOM 301 HE2 PHE A 21 2.261 3.150 -1.701 1.00 2.29 H ATOM 302 HZ PHE A 21 1.681 1.249 -3.181 1.00 0.65 H ATOM 303 N TYR A 22 6.602 6.328 -3.515 1.00 0.53 N ATOM 304 CA TYR A 22 5.899 7.592 -3.320 1.00 0.63 C ATOM 305 C TYR A 22 5.588 8.263 -4.656 1.00 0.58 C ATOM 306 O TYR A 22 4.476 8.745 -4.880 1.00 0.59 O ATOM 307 CB TYR A 22 6.772 8.525 -2.477 1.00 0.77 C ATOM 308 CG TYR A 22 6.083 9.856 -2.303 1.00 0.87 C ATOM 309 CD1 TYR A 22 5.185 10.045 -1.249 1.00 1.40 C ATOM 310 CD2 TYR A 22 6.349 10.902 -3.194 1.00 1.61 C ATOM 311 CE1 TYR A 22 4.549 11.282 -1.084 1.00 1.48 C ATOM 312 CE2 TYR A 22 5.714 12.139 -3.030 1.00 1.71 C ATOM 313 CZ TYR A 22 4.814 12.329 -1.975 1.00 1.15 C ATOM 314 OH TYR A 22 4.187 13.548 -1.813 1.00 1.32 O ATOM 315 H TYR A 22 7.472 6.193 -3.084 1.00 0.58 H ATOM 316 HA TYR A 22 4.976 7.407 -2.793 1.00 0.73 H ATOM 317 HB2 TYR A 22 6.941 8.079 -1.508 1.00 0.89 H ATOM 318 HB3 TYR A 22 7.719 8.674 -2.974 1.00 0.76 H ATOM 319 HD1 TYR A 22 4.983 9.239 -0.562 1.00 2.17 H ATOM 320 HD2 TYR A 22 7.045 10.755 -4.009 1.00 2.40 H ATOM 321 HE1 TYR A 22 3.854 11.428 -0.270 1.00 2.25 H ATOM 322 HE2 TYR A 22 5.920 12.947 -3.717 1.00 2.53 H ATOM 323 HH TYR A 22 4.750 14.100 -1.265 1.00 1.38 H ATOM 324 N GLU A 23 6.581 8.299 -5.534 1.00 0.65 N ATOM 325 CA GLU A 23 6.415 8.924 -6.840 1.00 0.67 C ATOM 326 C GLU A 23 5.426 8.148 -7.707 1.00 0.63 C ATOM 327 O GLU A 23 4.680 8.739 -8.488 1.00 0.70 O ATOM 328 CB GLU A 23 7.771 9.008 -7.541 1.00 0.76 C ATOM 329 CG GLU A 23 8.708 9.906 -6.727 1.00 1.05 C ATOM 330 CD GLU A 23 8.203 11.345 -6.739 1.00 1.92 C ATOM 331 OE1 GLU A 23 7.375 11.655 -7.581 1.00 2.63 O ATOM 332 OE2 GLU A 23 8.651 12.116 -5.907 1.00 2.51 O ATOM 333 H GLU A 23 7.447 7.906 -5.297 1.00 0.74 H ATOM 334 HA GLU A 23 6.036 9.924 -6.699 1.00 0.73 H ATOM 335 HB2 GLU A 23 8.196 8.018 -7.621 1.00 1.22 H ATOM 336 HB3 GLU A 23 7.642 9.426 -8.528 1.00 0.98 H ATOM 337 HG2 GLU A 23 8.745 9.550 -5.708 1.00 1.35 H ATOM 338 HG3 GLU A 23 9.697 9.871 -7.152 1.00 1.61 H ATOM 339 N ARG A 24 5.422 6.825 -7.571 1.00 0.58 N ATOM 340 CA ARG A 24 4.515 5.997 -8.360 1.00 0.59 C ATOM 341 C ARG A 24 3.063 6.387 -8.109 1.00 0.57 C ATOM 342 O ARG A 24 2.249 6.401 -9.033 1.00 0.73 O ATOM 343 CB ARG A 24 4.714 4.519 -8.018 1.00 0.65 C ATOM 344 CG ARG A 24 6.079 4.057 -8.529 1.00 1.12 C ATOM 345 CD ARG A 24 6.246 2.561 -8.259 1.00 1.26 C ATOM 346 NE ARG A 24 7.596 2.135 -8.605 1.00 1.92 N ATOM 347 CZ ARG A 24 7.896 0.848 -8.740 1.00 2.39 C ATOM 348 NH1 ARG A 24 6.987 -0.060 -8.513 1.00 2.39 N ATOM 349 NH2 ARG A 24 9.099 0.492 -9.098 1.00 3.38 N ATOM 350 H ARG A 24 6.037 6.402 -6.937 1.00 0.59 H ATOM 351 HA ARG A 24 4.736 6.141 -9.406 1.00 0.62 H ATOM 352 HB2 ARG A 24 4.666 4.388 -6.947 1.00 0.82 H ATOM 353 HB3 ARG A 24 3.939 3.933 -8.488 1.00 1.08 H ATOM 354 HG2 ARG A 24 6.147 4.241 -9.591 1.00 1.71 H ATOM 355 HG3 ARG A 24 6.858 4.601 -8.020 1.00 1.85 H ATOM 356 HD2 ARG A 24 6.068 2.365 -7.213 1.00 1.82 H ATOM 357 HD3 ARG A 24 5.531 2.010 -8.852 1.00 1.70 H ATOM 358 HE ARG A 24 8.293 2.809 -8.747 1.00 2.51 H ATOM 359 HH11 ARG A 24 6.065 0.213 -8.239 1.00 2.18 H ATOM 360 HH12 ARG A 24 7.212 -1.029 -8.615 1.00 3.02 H ATOM 361 HH21 ARG A 24 9.795 1.188 -9.271 1.00 3.86 H ATOM 362 HH22 ARG A 24 9.324 -0.477 -9.201 1.00 3.84 H ATOM 363 N VAL A 25 2.739 6.705 -6.860 1.00 0.50 N ATOM 364 CA VAL A 25 1.375 7.094 -6.522 1.00 0.53 C ATOM 365 C VAL A 25 1.002 8.384 -7.243 1.00 0.62 C ATOM 366 O VAL A 25 -0.060 8.476 -7.858 1.00 0.73 O ATOM 367 CB VAL A 25 1.245 7.289 -5.009 1.00 0.62 C ATOM 368 CG1 VAL A 25 -0.151 7.820 -4.677 1.00 0.70 C ATOM 369 CG2 VAL A 25 1.459 5.949 -4.301 1.00 0.68 C ATOM 370 H VAL A 25 3.424 6.680 -6.159 1.00 0.51 H ATOM 371 HA VAL A 25 0.700 6.311 -6.835 1.00 0.56 H ATOM 372 HB VAL A 25 1.988 7.998 -4.674 1.00 0.67 H ATOM 373 HG11 VAL A 25 -0.893 7.240 -5.205 1.00 1.21 H ATOM 374 HG12 VAL A 25 -0.223 8.855 -4.977 1.00 1.15 H ATOM 375 HG13 VAL A 25 -0.323 7.741 -3.613 1.00 1.37 H ATOM 376 HG21 VAL A 25 0.883 5.182 -4.796 1.00 1.15 H ATOM 377 HG22 VAL A 25 1.139 6.031 -3.273 1.00 1.24 H ATOM 378 HG23 VAL A 25 2.507 5.689 -4.332 1.00 1.12 H ATOM 379 N LEU A 26 1.886 9.375 -7.172 1.00 0.68 N ATOM 380 CA LEU A 26 1.635 10.649 -7.836 1.00 0.85 C ATOM 381 C LEU A 26 1.655 10.463 -9.350 1.00 0.91 C ATOM 382 O LEU A 26 0.878 11.085 -10.075 1.00 1.20 O ATOM 383 CB LEU A 26 2.701 11.672 -7.432 1.00 0.96 C ATOM 384 CG LEU A 26 2.775 11.782 -5.903 1.00 0.96 C ATOM 385 CD1 LEU A 26 3.802 12.853 -5.528 1.00 1.64 C ATOM 386 CD2 LEU A 26 1.399 12.167 -5.332 1.00 1.23 C ATOM 387 H LEU A 26 2.721 9.244 -6.674 1.00 0.67 H ATOM 388 HA LEU A 26 0.664 11.016 -7.544 1.00 0.92 H ATOM 389 HB2 LEU A 26 3.661 11.358 -7.815 1.00 1.36 H ATOM 390 HB3 LEU A 26 2.447 12.635 -7.847 1.00 1.30 H ATOM 391 HG LEU A 26 3.084 10.832 -5.491 1.00 1.51 H ATOM 392 HD11 LEU A 26 3.627 13.742 -6.116 1.00 2.00 H ATOM 393 HD12 LEU A 26 4.797 12.482 -5.724 1.00 2.17 H ATOM 394 HD13 LEU A 26 3.707 13.092 -4.479 1.00 2.21 H ATOM 395 HD21 LEU A 26 0.787 11.282 -5.243 1.00 1.78 H ATOM 396 HD22 LEU A 26 0.916 12.874 -5.991 1.00 1.61 H ATOM 397 HD23 LEU A 26 1.522 12.614 -4.355 1.00 1.76 H ATOM 398 N GLN A 27 2.553 9.600 -9.816 1.00 0.80 N ATOM 399 CA GLN A 27 2.678 9.328 -11.243 1.00 0.92 C ATOM 400 C GLN A 27 1.386 8.733 -11.795 1.00 0.83 C ATOM 401 O GLN A 27 1.015 8.986 -12.941 1.00 1.02 O ATOM 402 CB GLN A 27 3.835 8.357 -11.487 1.00 1.14 C ATOM 403 CG GLN A 27 4.110 8.251 -12.989 1.00 1.96 C ATOM 404 CD GLN A 27 5.187 7.203 -13.248 1.00 2.66 C ATOM 405 OE1 GLN A 27 4.992 6.025 -12.949 1.00 3.26 O ATOM 406 NE2 GLN A 27 6.318 7.563 -13.790 1.00 3.20 N ATOM 407 H GLN A 27 3.143 9.136 -9.186 1.00 0.78 H ATOM 408 HA GLN A 27 2.886 10.253 -11.759 1.00 1.07 H ATOM 409 HB2 GLN A 27 4.720 8.719 -10.983 1.00 1.45 H ATOM 410 HB3 GLN A 27 3.575 7.383 -11.101 1.00 1.33 H ATOM 411 HG2 GLN A 27 3.203 7.967 -13.501 1.00 2.31 H ATOM 412 HG3 GLN A 27 4.447 9.208 -13.360 1.00 2.51 H ATOM 413 HE21 GLN A 27 6.471 8.502 -14.027 1.00 3.24 H ATOM 414 HE22 GLN A 27 7.015 6.895 -13.960 1.00 3.88 H ATOM 415 N ASP A 28 0.711 7.933 -10.976 1.00 0.74 N ATOM 416 CA ASP A 28 -0.533 7.298 -11.399 1.00 0.70 C ATOM 417 C ASP A 28 -1.690 8.294 -11.371 1.00 0.63 C ATOM 418 O ASP A 28 -2.200 8.644 -10.306 1.00 0.64 O ATOM 419 CB ASP A 28 -0.844 6.118 -10.478 1.00 0.73 C ATOM 420 CG ASP A 28 -2.102 5.400 -10.954 1.00 0.80 C ATOM 421 OD1 ASP A 28 -2.601 5.757 -12.008 1.00 0.86 O ATOM 422 OD2 ASP A 28 -2.549 4.504 -10.257 1.00 0.94 O ATOM 423 H ASP A 28 1.058 7.761 -10.076 1.00 0.85 H ATOM 424 HA ASP A 28 -0.413 6.930 -12.406 1.00 0.83 H ATOM 425 HB2 ASP A 28 -0.012 5.429 -10.487 1.00 0.85 H ATOM 426 HB3 ASP A 28 -0.996 6.480 -9.473 1.00 0.68 H ATOM 427 N ASP A 29 -2.094 8.743 -12.555 1.00 0.74 N ATOM 428 CA ASP A 29 -3.190 9.701 -12.683 1.00 0.85 C ATOM 429 C ASP A 29 -4.502 9.123 -12.156 1.00 0.90 C ATOM 430 O ASP A 29 -5.360 9.856 -11.665 1.00 1.06 O ATOM 431 CB ASP A 29 -3.363 10.092 -14.152 1.00 1.04 C ATOM 432 CG ASP A 29 -4.348 11.250 -14.270 1.00 1.42 C ATOM 433 OD1 ASP A 29 -4.760 11.759 -13.241 1.00 1.92 O ATOM 434 OD2 ASP A 29 -4.675 11.611 -15.389 1.00 1.94 O ATOM 435 H ASP A 29 -1.645 8.422 -13.365 1.00 0.83 H ATOM 436 HA ASP A 29 -2.947 10.586 -12.120 1.00 0.84 H ATOM 437 HB2 ASP A 29 -2.407 10.390 -14.558 1.00 1.01 H ATOM 438 HB3 ASP A 29 -3.739 9.245 -14.706 1.00 1.30 H ATOM 439 N ARG A 30 -4.660 7.811 -12.287 1.00 0.85 N ATOM 440 CA ARG A 30 -5.885 7.146 -11.850 1.00 0.91 C ATOM 441 C ARG A 30 -6.215 7.453 -10.389 1.00 0.82 C ATOM 442 O ARG A 30 -7.382 7.644 -10.044 1.00 0.98 O ATOM 443 CB ARG A 30 -5.738 5.634 -12.028 1.00 0.94 C ATOM 444 CG ARG A 30 -5.569 5.308 -13.513 1.00 1.52 C ATOM 445 CD ARG A 30 -5.506 3.791 -13.700 1.00 1.66 C ATOM 446 NE ARG A 30 -5.129 3.467 -15.072 1.00 2.05 N ATOM 447 CZ ARG A 30 -4.590 2.291 -15.379 1.00 2.65 C ATOM 448 NH1 ARG A 30 -4.353 1.417 -14.440 1.00 2.96 N ATOM 449 NH2 ARG A 30 -4.298 2.010 -16.620 1.00 3.46 N ATOM 450 H ARG A 30 -3.950 7.281 -12.705 1.00 0.83 H ATOM 451 HA ARG A 30 -6.702 7.485 -12.468 1.00 1.04 H ATOM 452 HB2 ARG A 30 -4.872 5.290 -11.482 1.00 1.24 H ATOM 453 HB3 ARG A 30 -6.621 5.140 -11.651 1.00 1.23 H ATOM 454 HG2 ARG A 30 -6.408 5.705 -14.066 1.00 2.18 H ATOM 455 HG3 ARG A 30 -4.655 5.752 -13.878 1.00 2.15 H ATOM 456 HD2 ARG A 30 -4.775 3.378 -13.021 1.00 2.00 H ATOM 457 HD3 ARG A 30 -6.475 3.365 -13.482 1.00 2.20 H ATOM 458 HE ARG A 30 -5.276 4.128 -15.781 1.00 2.44 H ATOM 459 HH11 ARG A 30 -4.576 1.632 -13.489 1.00 2.82 H ATOM 460 HH12 ARG A 30 -3.947 0.532 -14.670 1.00 3.68 H ATOM 461 HH21 ARG A 30 -4.480 2.680 -17.340 1.00 3.73 H ATOM 462 HH22 ARG A 30 -3.893 1.126 -16.851 1.00 4.05 H ATOM 463 N ILE A 31 -5.194 7.488 -9.528 1.00 0.66 N ATOM 464 CA ILE A 31 -5.405 7.761 -8.098 1.00 0.63 C ATOM 465 C ILE A 31 -4.814 9.107 -7.684 1.00 0.60 C ATOM 466 O ILE A 31 -4.938 9.513 -6.529 1.00 0.59 O ATOM 467 CB ILE A 31 -4.775 6.645 -7.259 1.00 0.59 C ATOM 468 CG1 ILE A 31 -3.277 6.556 -7.560 1.00 0.58 C ATOM 469 CG2 ILE A 31 -5.441 5.311 -7.597 1.00 0.65 C ATOM 470 CD1 ILE A 31 -2.646 5.463 -6.695 1.00 0.62 C ATOM 471 H ILE A 31 -4.286 7.320 -9.856 1.00 0.68 H ATOM 472 HA ILE A 31 -6.466 7.779 -7.891 1.00 0.72 H ATOM 473 HB ILE A 31 -4.920 6.861 -6.211 1.00 0.60 H ATOM 474 HG12 ILE A 31 -3.138 6.316 -8.603 1.00 0.62 H ATOM 475 HG13 ILE A 31 -2.806 7.502 -7.341 1.00 0.60 H ATOM 476 HG21 ILE A 31 -5.134 4.564 -6.879 1.00 1.17 H ATOM 477 HG22 ILE A 31 -5.143 5.000 -8.588 1.00 1.20 H ATOM 478 HG23 ILE A 31 -6.514 5.425 -7.562 1.00 1.21 H ATOM 479 HD11 ILE A 31 -2.916 4.494 -7.087 1.00 1.25 H ATOM 480 HD12 ILE A 31 -3.004 5.553 -5.681 1.00 1.15 H ATOM 481 HD13 ILE A 31 -1.571 5.570 -6.708 1.00 1.18 H ATOM 482 N LYS A 32 -4.170 9.794 -8.620 1.00 0.63 N ATOM 483 CA LYS A 32 -3.566 11.087 -8.313 1.00 0.64 C ATOM 484 C LYS A 32 -4.607 12.063 -7.771 1.00 0.67 C ATOM 485 O LYS A 32 -4.300 12.887 -6.910 1.00 0.74 O ATOM 486 CB LYS A 32 -2.909 11.677 -9.564 1.00 0.71 C ATOM 487 CG LYS A 32 -2.183 12.979 -9.207 1.00 1.11 C ATOM 488 CD LYS A 32 -1.564 13.583 -10.469 1.00 1.38 C ATOM 489 CE LYS A 32 -0.775 14.841 -10.099 1.00 2.04 C ATOM 490 NZ LYS A 32 0.511 14.450 -9.456 1.00 2.35 N ATOM 491 H LYS A 32 -4.094 9.426 -9.525 1.00 0.67 H ATOM 492 HA LYS A 32 -2.805 10.943 -7.561 1.00 0.62 H ATOM 493 HB2 LYS A 32 -2.196 10.969 -9.959 1.00 0.74 H ATOM 494 HB3 LYS A 32 -3.666 11.881 -10.306 1.00 1.00 H ATOM 495 HG2 LYS A 32 -2.884 13.683 -8.783 1.00 1.61 H ATOM 496 HG3 LYS A 32 -1.403 12.772 -8.490 1.00 1.62 H ATOM 497 HD2 LYS A 32 -0.900 12.861 -10.924 1.00 1.88 H ATOM 498 HD3 LYS A 32 -2.346 13.843 -11.165 1.00 1.79 H ATOM 499 HE2 LYS A 32 -0.572 15.413 -10.992 1.00 2.60 H ATOM 500 HE3 LYS A 32 -1.354 15.441 -9.412 1.00 2.53 H ATOM 501 HZ1 LYS A 32 1.236 15.165 -9.666 1.00 2.66 H ATOM 502 HZ2 LYS A 32 0.817 13.526 -9.825 1.00 2.76 H ATOM 503 HZ3 LYS A 32 0.379 14.386 -8.427 1.00 2.66 H ATOM 504 N HIS A 33 -5.832 11.983 -8.282 1.00 0.73 N ATOM 505 CA HIS A 33 -6.880 12.890 -7.829 1.00 0.79 C ATOM 506 C HIS A 33 -7.029 12.822 -6.311 1.00 0.78 C ATOM 507 O HIS A 33 -7.270 13.839 -5.661 1.00 0.84 O ATOM 508 CB HIS A 33 -8.212 12.566 -8.512 1.00 0.88 C ATOM 509 CG HIS A 33 -8.738 11.245 -8.028 1.00 0.82 C ATOM 510 ND1 HIS A 33 -8.252 10.036 -8.504 1.00 0.77 N ATOM 511 CD2 HIS A 33 -9.727 10.927 -7.131 1.00 0.91 C ATOM 512 CE1 HIS A 33 -8.946 9.055 -7.899 1.00 0.77 C ATOM 513 NE2 HIS A 33 -9.855 9.547 -7.054 1.00 0.87 N ATOM 514 H HIS A 33 -6.030 11.318 -8.974 1.00 0.79 H ATOM 515 HA HIS A 33 -6.596 13.896 -8.098 1.00 0.83 H ATOM 516 HB2 HIS A 33 -8.928 13.340 -8.283 1.00 0.96 H ATOM 517 HB3 HIS A 33 -8.063 12.522 -9.581 1.00 0.96 H ATOM 518 HD2 HIS A 33 -10.314 11.640 -6.571 1.00 1.08 H ATOM 519 HE1 HIS A 33 -8.791 8.001 -8.077 1.00 0.78 H ATOM 520 HE2 HIS A 33 -10.481 9.040 -6.497 1.00 0.96 H ATOM 521 N PHE A 34 -6.865 11.628 -5.745 1.00 0.74 N ATOM 522 CA PHE A 34 -6.966 11.472 -4.297 1.00 0.77 C ATOM 523 C PHE A 34 -5.861 12.265 -3.603 1.00 0.78 C ATOM 524 O PHE A 34 -6.072 12.846 -2.538 1.00 1.05 O ATOM 525 CB PHE A 34 -6.840 9.994 -3.896 1.00 0.77 C ATOM 526 CG PHE A 34 -8.116 9.245 -4.223 1.00 0.75 C ATOM 527 CD1 PHE A 34 -9.307 9.574 -3.563 1.00 1.47 C ATOM 528 CD2 PHE A 34 -8.104 8.209 -5.168 1.00 1.35 C ATOM 529 CE1 PHE A 34 -10.483 8.873 -3.849 1.00 1.49 C ATOM 530 CE2 PHE A 34 -9.283 7.509 -5.454 1.00 1.33 C ATOM 531 CZ PHE A 34 -10.472 7.841 -4.795 1.00 0.78 C ATOM 532 H PHE A 34 -6.659 10.850 -6.304 1.00 0.71 H ATOM 533 HA PHE A 34 -7.923 11.845 -3.970 1.00 0.82 H ATOM 534 HB2 PHE A 34 -6.014 9.549 -4.431 1.00 0.77 H ATOM 535 HB3 PHE A 34 -6.652 9.925 -2.834 1.00 0.81 H ATOM 536 HD1 PHE A 34 -9.319 10.370 -2.833 1.00 2.30 H ATOM 537 HD2 PHE A 34 -7.188 7.952 -5.676 1.00 2.18 H ATOM 538 HE1 PHE A 34 -11.399 9.127 -3.339 1.00 2.34 H ATOM 539 HE2 PHE A 34 -9.274 6.712 -6.183 1.00 2.15 H ATOM 540 HZ PHE A 34 -11.380 7.300 -5.015 1.00 0.81 H ATOM 541 N PHE A 35 -4.674 12.263 -4.208 1.00 0.67 N ATOM 542 CA PHE A 35 -3.518 12.961 -3.642 1.00 0.69 C ATOM 543 C PHE A 35 -3.347 14.346 -4.263 1.00 0.72 C ATOM 544 O PHE A 35 -2.341 15.016 -4.026 1.00 0.80 O ATOM 545 CB PHE A 35 -2.254 12.137 -3.894 1.00 0.70 C ATOM 546 CG PHE A 35 -2.486 10.714 -3.440 1.00 0.67 C ATOM 547 CD1 PHE A 35 -2.363 10.378 -2.086 1.00 1.21 C ATOM 548 CD2 PHE A 35 -2.826 9.731 -4.377 1.00 1.38 C ATOM 549 CE1 PHE A 35 -2.581 9.058 -1.672 1.00 1.18 C ATOM 550 CE2 PHE A 35 -3.044 8.413 -3.962 1.00 1.45 C ATOM 551 CZ PHE A 35 -2.922 8.076 -2.610 1.00 0.75 C ATOM 552 H PHE A 35 -4.567 11.767 -5.047 1.00 0.75 H ATOM 553 HA PHE A 35 -3.652 13.069 -2.575 1.00 0.73 H ATOM 554 HB2 PHE A 35 -2.022 12.147 -4.949 1.00 0.73 H ATOM 555 HB3 PHE A 35 -1.431 12.561 -3.339 1.00 0.75 H ATOM 556 HD1 PHE A 35 -2.101 11.135 -1.363 1.00 2.01 H ATOM 557 HD2 PHE A 35 -2.920 9.991 -5.420 1.00 2.15 H ATOM 558 HE1 PHE A 35 -2.487 8.797 -0.628 1.00 1.92 H ATOM 559 HE2 PHE A 35 -3.307 7.655 -4.686 1.00 2.27 H ATOM 560 HZ PHE A 35 -3.090 7.058 -2.289 1.00 0.82 H ATOM 561 N ALA A 36 -4.322 14.773 -5.059 1.00 0.72 N ATOM 562 CA ALA A 36 -4.239 16.082 -5.700 1.00 0.79 C ATOM 563 C ALA A 36 -4.073 17.178 -4.651 1.00 0.83 C ATOM 564 O ALA A 36 -3.336 18.142 -4.861 1.00 0.92 O ATOM 565 CB ALA A 36 -5.499 16.342 -6.533 1.00 0.84 C ATOM 566 H ALA A 36 -5.102 14.202 -5.221 1.00 0.71 H ATOM 567 HA ALA A 36 -3.381 16.095 -6.356 1.00 0.83 H ATOM 568 HB1 ALA A 36 -5.425 15.810 -7.469 1.00 1.33 H ATOM 569 HB2 ALA A 36 -5.594 17.401 -6.730 1.00 1.15 H ATOM 570 HB3 ALA A 36 -6.367 15.998 -5.991 1.00 1.38 H ATOM 571 N ASP A 37 -4.750 17.018 -3.514 1.00 0.81 N ATOM 572 CA ASP A 37 -4.661 17.995 -2.426 1.00 0.89 C ATOM 573 C ASP A 37 -4.577 17.279 -1.083 1.00 0.82 C ATOM 574 O ASP A 37 -5.593 17.035 -0.432 1.00 0.88 O ATOM 575 CB ASP A 37 -5.891 18.906 -2.439 1.00 1.06 C ATOM 576 CG ASP A 37 -5.887 19.778 -3.690 1.00 1.20 C ATOM 577 OD1 ASP A 37 -4.847 19.873 -4.320 1.00 1.79 O ATOM 578 OD2 ASP A 37 -6.925 20.341 -3.998 1.00 1.50 O ATOM 579 H ASP A 37 -5.314 16.225 -3.400 1.00 0.79 H ATOM 580 HA ASP A 37 -3.774 18.602 -2.554 1.00 0.95 H ATOM 581 HB2 ASP A 37 -6.785 18.299 -2.428 1.00 1.06 H ATOM 582 HB3 ASP A 37 -5.878 19.538 -1.563 1.00 1.12 H ATOM 583 N VAL A 38 -3.355 16.947 -0.675 1.00 0.77 N ATOM 584 CA VAL A 38 -3.129 16.260 0.594 1.00 0.76 C ATOM 585 C VAL A 38 -1.767 16.637 1.166 1.00 0.79 C ATOM 586 O VAL A 38 -0.792 16.768 0.427 1.00 0.89 O ATOM 587 CB VAL A 38 -3.196 14.745 0.391 1.00 0.75 C ATOM 588 CG1 VAL A 38 -2.971 14.040 1.729 1.00 0.82 C ATOM 589 CG2 VAL A 38 -4.574 14.364 -0.156 1.00 0.83 C ATOM 590 H VAL A 38 -2.586 17.172 -1.240 1.00 0.79 H ATOM 591 HA VAL A 38 -3.896 16.551 1.299 1.00 0.83 H ATOM 592 HB VAL A 38 -2.432 14.442 -0.310 1.00 0.75 H ATOM 593 HG11 VAL A 38 -3.606 14.484 2.481 1.00 1.40 H ATOM 594 HG12 VAL A 38 -1.937 14.147 2.023 1.00 1.26 H ATOM 595 HG13 VAL A 38 -3.210 12.992 1.629 1.00 1.27 H ATOM 596 HG21 VAL A 38 -4.651 14.673 -1.188 1.00 1.24 H ATOM 597 HG22 VAL A 38 -5.341 14.855 0.425 1.00 1.42 H ATOM 598 HG23 VAL A 38 -4.703 13.294 -0.090 1.00 1.31 H ATOM 599 N ASP A 39 -1.700 16.802 2.483 1.00 0.82 N ATOM 600 CA ASP A 39 -0.440 17.153 3.125 1.00 0.86 C ATOM 601 C ASP A 39 0.560 16.008 2.980 1.00 0.77 C ATOM 602 O ASP A 39 0.276 14.870 3.354 1.00 0.78 O ATOM 603 CB ASP A 39 -0.673 17.462 4.605 1.00 0.95 C ATOM 604 CG ASP A 39 -1.456 16.329 5.255 1.00 0.93 C ATOM 605 OD1 ASP A 39 -1.689 15.337 4.587 1.00 1.41 O ATOM 606 OD2 ASP A 39 -1.820 16.475 6.410 1.00 1.41 O ATOM 607 H ASP A 39 -2.505 16.680 3.028 1.00 0.89 H ATOM 608 HA ASP A 39 -0.036 18.032 2.644 1.00 0.95 H ATOM 609 HB2 ASP A 39 0.280 17.572 5.102 1.00 1.00 H ATOM 610 HB3 ASP A 39 -1.232 18.381 4.695 1.00 1.04 H ATOM 611 N MET A 40 1.722 16.319 2.417 1.00 0.79 N ATOM 612 CA MET A 40 2.759 15.313 2.200 1.00 0.78 C ATOM 613 C MET A 40 3.176 14.646 3.509 1.00 0.72 C ATOM 614 O MET A 40 3.586 13.486 3.516 1.00 0.84 O ATOM 615 CB MET A 40 3.985 15.958 1.546 1.00 0.93 C ATOM 616 CG MET A 40 4.352 17.245 2.289 1.00 1.60 C ATOM 617 SD MET A 40 5.780 18.016 1.489 1.00 2.40 S ATOM 618 CE MET A 40 5.951 19.412 2.628 1.00 3.01 C ATOM 619 H MET A 40 1.880 17.241 2.128 1.00 0.89 H ATOM 620 HA MET A 40 2.373 14.557 1.534 1.00 0.77 H ATOM 621 HB2 MET A 40 4.818 15.270 1.584 1.00 1.39 H ATOM 622 HB3 MET A 40 3.761 16.193 0.516 1.00 1.47 H ATOM 623 HG2 MET A 40 3.516 17.927 2.266 1.00 2.19 H ATOM 624 HG3 MET A 40 4.597 17.011 3.315 1.00 2.16 H ATOM 625 HE1 MET A 40 6.083 19.040 3.635 1.00 3.26 H ATOM 626 HE2 MET A 40 5.065 20.023 2.585 1.00 3.46 H ATOM 627 HE3 MET A 40 6.809 20.005 2.342 1.00 3.39 H ATOM 628 N ALA A 41 3.088 15.384 4.610 1.00 0.73 N ATOM 629 CA ALA A 41 3.481 14.840 5.906 1.00 0.76 C ATOM 630 C ALA A 41 2.736 13.541 6.206 1.00 0.68 C ATOM 631 O ALA A 41 3.354 12.519 6.507 1.00 0.80 O ATOM 632 CB ALA A 41 3.190 15.860 7.007 1.00 0.88 C ATOM 633 H ALA A 41 2.767 16.307 4.550 1.00 0.85 H ATOM 634 HA ALA A 41 4.542 14.638 5.892 1.00 0.83 H ATOM 635 HB1 ALA A 41 2.140 16.112 6.996 1.00 1.40 H ATOM 636 HB2 ALA A 41 3.777 16.751 6.837 1.00 1.26 H ATOM 637 HB3 ALA A 41 3.449 15.437 7.967 1.00 1.38 H ATOM 638 N LYS A 42 1.410 13.582 6.123 1.00 0.59 N ATOM 639 CA LYS A 42 0.604 12.395 6.391 1.00 0.59 C ATOM 640 C LYS A 42 0.891 11.295 5.372 1.00 0.53 C ATOM 641 O LYS A 42 0.879 10.111 5.706 1.00 0.60 O ATOM 642 CB LYS A 42 -0.884 12.749 6.356 1.00 0.67 C ATOM 643 CG LYS A 42 -1.207 13.706 7.506 1.00 1.24 C ATOM 644 CD LYS A 42 -2.714 13.971 7.542 1.00 1.91 C ATOM 645 CE LYS A 42 -3.031 14.989 8.641 1.00 2.37 C ATOM 646 NZ LYS A 42 -2.967 14.320 9.971 1.00 3.05 N ATOM 647 H LYS A 42 0.968 14.422 5.879 1.00 0.63 H ATOM 648 HA LYS A 42 0.847 12.026 7.376 1.00 0.66 H ATOM 649 HB2 LYS A 42 -1.119 13.221 5.414 1.00 1.18 H ATOM 650 HB3 LYS A 42 -1.470 11.849 6.465 1.00 1.11 H ATOM 651 HG2 LYS A 42 -0.896 13.264 8.441 1.00 1.73 H ATOM 652 HG3 LYS A 42 -0.684 14.638 7.356 1.00 1.88 H ATOM 653 HD2 LYS A 42 -3.034 14.361 6.587 1.00 2.42 H ATOM 654 HD3 LYS A 42 -3.237 13.049 7.748 1.00 2.47 H ATOM 655 HE2 LYS A 42 -2.312 15.794 8.608 1.00 2.73 H ATOM 656 HE3 LYS A 42 -4.023 15.388 8.486 1.00 2.73 H ATOM 657 HZ1 LYS A 42 -2.345 13.490 9.912 1.00 3.32 H ATOM 658 HZ2 LYS A 42 -3.923 14.019 10.254 1.00 3.41 H ATOM 659 HZ3 LYS A 42 -2.590 14.985 10.676 1.00 3.50 H ATOM 660 N GLN A 43 1.136 11.693 4.127 1.00 0.51 N ATOM 661 CA GLN A 43 1.410 10.727 3.068 1.00 0.55 C ATOM 662 C GLN A 43 2.615 9.859 3.415 1.00 0.57 C ATOM 663 O GLN A 43 2.634 8.665 3.119 1.00 0.72 O ATOM 664 CB GLN A 43 1.673 11.457 1.750 1.00 0.62 C ATOM 665 CG GLN A 43 0.406 12.193 1.316 1.00 0.67 C ATOM 666 CD GLN A 43 0.660 12.944 0.013 1.00 1.23 C ATOM 667 OE1 GLN A 43 1.809 13.219 -0.332 1.00 1.97 O ATOM 668 NE2 GLN A 43 -0.350 13.291 -0.737 1.00 1.56 N ATOM 669 H GLN A 43 1.123 12.649 3.913 1.00 0.52 H ATOM 670 HA GLN A 43 0.547 10.091 2.945 1.00 0.59 H ATOM 671 HB2 GLN A 43 2.475 12.168 1.886 1.00 0.62 H ATOM 672 HB3 GLN A 43 1.950 10.742 0.991 1.00 0.74 H ATOM 673 HG2 GLN A 43 -0.391 11.479 1.170 1.00 0.79 H ATOM 674 HG3 GLN A 43 0.119 12.896 2.083 1.00 1.00 H ATOM 675 HE21 GLN A 43 -1.264 13.069 -0.461 1.00 1.68 H ATOM 676 HE22 GLN A 43 -0.195 13.774 -1.575 1.00 2.06 H ATOM 677 N ARG A 44 3.620 10.460 4.041 1.00 0.59 N ATOM 678 CA ARG A 44 4.817 9.716 4.412 1.00 0.68 C ATOM 679 C ARG A 44 4.448 8.516 5.277 1.00 0.64 C ATOM 680 O ARG A 44 4.975 7.419 5.092 1.00 0.71 O ATOM 681 CB ARG A 44 5.781 10.628 5.176 1.00 0.78 C ATOM 682 CG ARG A 44 7.103 9.894 5.421 1.00 0.94 C ATOM 683 CD ARG A 44 8.033 10.783 6.249 1.00 1.59 C ATOM 684 NE ARG A 44 8.322 12.018 5.530 1.00 2.15 N ATOM 685 CZ ARG A 44 9.139 12.028 4.482 1.00 2.94 C ATOM 686 NH1 ARG A 44 9.697 10.920 4.079 1.00 3.35 N ATOM 687 NH2 ARG A 44 9.383 13.147 3.855 1.00 3.79 N ATOM 688 H ARG A 44 3.557 11.415 4.254 1.00 0.66 H ATOM 689 HA ARG A 44 5.305 9.366 3.514 1.00 0.74 H ATOM 690 HB2 ARG A 44 5.967 11.520 4.596 1.00 0.81 H ATOM 691 HB3 ARG A 44 5.343 10.900 6.124 1.00 0.76 H ATOM 692 HG2 ARG A 44 6.913 8.975 5.956 1.00 1.27 H ATOM 693 HG3 ARG A 44 7.572 9.670 4.475 1.00 1.30 H ATOM 694 HD2 ARG A 44 7.558 11.021 7.188 1.00 2.18 H ATOM 695 HD3 ARG A 44 8.955 10.253 6.440 1.00 2.10 H ATOM 696 HE ARG A 44 7.907 12.856 5.825 1.00 2.50 H ATOM 697 HH11 ARG A 44 9.510 10.063 4.560 1.00 3.16 H ATOM 698 HH12 ARG A 44 10.312 10.927 3.291 1.00 4.17 H ATOM 699 HH21 ARG A 44 8.955 13.996 4.164 1.00 4.00 H ATOM 700 HH22 ARG A 44 9.997 13.154 3.066 1.00 4.47 H ATOM 701 N ALA A 45 3.539 8.732 6.221 1.00 0.58 N ATOM 702 CA ALA A 45 3.104 7.661 7.109 1.00 0.58 C ATOM 703 C ALA A 45 2.171 6.695 6.385 1.00 0.52 C ATOM 704 O ALA A 45 2.260 5.480 6.564 1.00 0.60 O ATOM 705 CB ALA A 45 2.386 8.252 8.324 1.00 0.61 C ATOM 706 H ALA A 45 3.153 9.628 6.321 1.00 0.59 H ATOM 707 HA ALA A 45 3.972 7.118 7.451 1.00 0.64 H ATOM 708 HB1 ALA A 45 3.048 8.931 8.839 1.00 1.17 H ATOM 709 HB2 ALA A 45 2.095 7.455 8.992 1.00 1.28 H ATOM 710 HB3 ALA A 45 1.506 8.786 7.996 1.00 1.07 H ATOM 711 N HIS A 46 1.266 7.243 5.579 1.00 0.51 N ATOM 712 CA HIS A 46 0.310 6.418 4.846 1.00 0.47 C ATOM 713 C HIS A 46 1.027 5.453 3.906 1.00 0.42 C ATOM 714 O HIS A 46 0.763 4.251 3.916 1.00 0.44 O ATOM 715 CB HIS A 46 -0.632 7.313 4.035 1.00 0.54 C ATOM 716 CG HIS A 46 -1.839 6.523 3.600 1.00 0.50 C ATOM 717 ND1 HIS A 46 -1.761 5.490 2.672 1.00 0.71 N ATOM 718 CD2 HIS A 46 -3.160 6.602 3.963 1.00 0.61 C ATOM 719 CE1 HIS A 46 -3.004 4.994 2.512 1.00 0.61 C ATOM 720 NE2 HIS A 46 -3.886 5.641 3.273 1.00 0.50 N ATOM 721 H HIS A 46 1.234 8.217 5.483 1.00 0.60 H ATOM 722 HA HIS A 46 -0.273 5.848 5.555 1.00 0.48 H ATOM 723 HB2 HIS A 46 -0.950 8.146 4.645 1.00 0.62 H ATOM 724 HB3 HIS A 46 -0.113 7.683 3.163 1.00 0.57 H ATOM 725 HD1 HIS A 46 -0.950 5.179 2.218 1.00 1.01 H ATOM 726 HD2 HIS A 46 -3.568 7.288 4.690 1.00 0.91 H ATOM 727 HE1 HIS A 46 -3.250 4.163 1.868 1.00 0.83 H ATOM 728 N GLN A 47 1.933 5.988 3.094 1.00 0.52 N ATOM 729 CA GLN A 47 2.678 5.162 2.150 1.00 0.54 C ATOM 730 C GLN A 47 3.551 4.153 2.888 1.00 0.49 C ATOM 731 O GLN A 47 3.661 2.997 2.479 1.00 0.48 O ATOM 732 CB GLN A 47 3.555 6.050 1.264 1.00 0.69 C ATOM 733 CG GLN A 47 2.669 7.009 0.464 1.00 0.89 C ATOM 734 CD GLN A 47 1.810 6.230 -0.524 1.00 0.85 C ATOM 735 OE1 GLN A 47 2.334 5.461 -1.327 1.00 1.67 O ATOM 736 NE2 GLN A 47 0.514 6.385 -0.513 1.00 1.45 N ATOM 737 H GLN A 47 2.101 6.953 3.127 1.00 0.66 H ATOM 738 HA GLN A 47 1.979 4.628 1.525 1.00 0.55 H ATOM 739 HB2 GLN A 47 4.235 6.617 1.883 1.00 0.79 H ATOM 740 HB3 GLN A 47 4.119 5.432 0.582 1.00 0.66 H ATOM 741 HG2 GLN A 47 2.029 7.554 1.142 1.00 1.43 H ATOM 742 HG3 GLN A 47 3.292 7.705 -0.076 1.00 1.53 H ATOM 743 HE21 GLN A 47 0.100 6.999 0.129 1.00 1.98 H ATOM 744 HE22 GLN A 47 -0.044 5.887 -1.145 1.00 1.89 H ATOM 745 N LYS A 48 4.169 4.597 3.978 1.00 0.53 N ATOM 746 CA LYS A 48 5.029 3.721 4.765 1.00 0.55 C ATOM 747 C LYS A 48 4.229 2.553 5.332 1.00 0.52 C ATOM 748 O LYS A 48 4.693 1.413 5.337 1.00 0.60 O ATOM 749 CB LYS A 48 5.668 4.511 5.911 1.00 0.65 C ATOM 750 CG LYS A 48 6.698 3.636 6.630 1.00 0.75 C ATOM 751 CD LYS A 48 7.298 4.413 7.803 1.00 1.52 C ATOM 752 CE LYS A 48 8.433 3.600 8.428 1.00 2.15 C ATOM 753 NZ LYS A 48 8.928 4.295 9.650 1.00 2.76 N ATOM 754 H LYS A 48 4.044 5.528 4.257 1.00 0.59 H ATOM 755 HA LYS A 48 5.812 3.335 4.130 1.00 0.61 H ATOM 756 HB2 LYS A 48 6.156 5.389 5.513 1.00 0.74 H ATOM 757 HB3 LYS A 48 4.903 4.811 6.611 1.00 0.67 H ATOM 758 HG2 LYS A 48 6.217 2.742 6.999 1.00 1.15 H ATOM 759 HG3 LYS A 48 7.484 3.365 5.941 1.00 1.24 H ATOM 760 HD2 LYS A 48 7.683 5.359 7.449 1.00 2.07 H ATOM 761 HD3 LYS A 48 6.534 4.591 8.545 1.00 2.11 H ATOM 762 HE2 LYS A 48 8.068 2.619 8.694 1.00 2.58 H ATOM 763 HE3 LYS A 48 9.240 3.504 7.717 1.00 2.62 H ATOM 764 HZ1 LYS A 48 8.781 3.686 10.479 1.00 3.24 H ATOM 765 HZ2 LYS A 48 8.405 5.187 9.776 1.00 2.97 H ATOM 766 HZ3 LYS A 48 9.942 4.499 9.547 1.00 3.19 H ATOM 767 N ALA A 49 3.025 2.847 5.811 1.00 0.53 N ATOM 768 CA ALA A 49 2.167 1.816 6.383 1.00 0.57 C ATOM 769 C ALA A 49 1.745 0.808 5.320 1.00 0.51 C ATOM 770 O ALA A 49 1.619 -0.385 5.599 1.00 0.60 O ATOM 771 CB ALA A 49 0.923 2.458 7.001 1.00 0.64 C ATOM 772 H ALA A 49 2.709 3.775 5.783 1.00 0.59 H ATOM 773 HA ALA A 49 2.712 1.299 7.158 1.00 0.66 H ATOM 774 HB1 ALA A 49 0.319 2.897 6.221 1.00 1.24 H ATOM 775 HB2 ALA A 49 1.223 3.225 7.699 1.00 1.13 H ATOM 776 HB3 ALA A 49 0.349 1.704 7.519 1.00 1.25 H ATOM 777 N PHE A 50 1.520 1.292 4.103 1.00 0.47 N ATOM 778 CA PHE A 50 1.105 0.417 3.013 1.00 0.50 C ATOM 779 C PHE A 50 2.146 -0.668 2.760 1.00 0.46 C ATOM 780 O PHE A 50 1.814 -1.850 2.673 1.00 0.55 O ATOM 781 CB PHE A 50 0.901 1.232 1.735 1.00 0.60 C ATOM 782 CG PHE A 50 0.349 0.335 0.653 1.00 0.60 C ATOM 783 CD1 PHE A 50 -1.031 0.120 0.560 1.00 1.25 C ATOM 784 CD2 PHE A 50 1.216 -0.284 -0.256 1.00 1.38 C ATOM 785 CE1 PHE A 50 -1.545 -0.713 -0.441 1.00 1.33 C ATOM 786 CE2 PHE A 50 0.703 -1.117 -1.257 1.00 1.39 C ATOM 787 CZ PHE A 50 -0.678 -1.331 -1.350 1.00 0.77 C ATOM 788 H PHE A 50 1.631 2.251 3.936 1.00 0.53 H ATOM 789 HA PHE A 50 0.169 -0.052 3.278 1.00 0.55 H ATOM 790 HB2 PHE A 50 0.205 2.036 1.927 1.00 0.74 H ATOM 791 HB3 PHE A 50 1.846 1.642 1.414 1.00 0.67 H ATOM 792 HD1 PHE A 50 -1.700 0.597 1.260 1.00 2.07 H ATOM 793 HD2 PHE A 50 2.282 -0.119 -0.185 1.00 2.22 H ATOM 794 HE1 PHE A 50 -2.609 -0.878 -0.513 1.00 2.18 H ATOM 795 HE2 PHE A 50 1.371 -1.594 -1.957 1.00 2.21 H ATOM 796 HZ PHE A 50 -1.073 -1.974 -2.122 1.00 0.88 H ATOM 797 N LEU A 51 3.405 -0.261 2.639 1.00 0.46 N ATOM 798 CA LEU A 51 4.479 -1.215 2.393 1.00 0.51 C ATOM 799 C LEU A 51 4.608 -2.178 3.567 1.00 0.51 C ATOM 800 O LEU A 51 4.749 -3.384 3.379 1.00 0.55 O ATOM 801 CB LEU A 51 5.801 -0.457 2.182 1.00 0.57 C ATOM 802 CG LEU A 51 6.899 -1.394 1.613 1.00 0.71 C ATOM 803 CD1 LEU A 51 7.908 -0.569 0.804 1.00 0.70 C ATOM 804 CD2 LEU A 51 7.652 -2.115 2.747 1.00 0.91 C ATOM 805 H LEU A 51 3.614 0.694 2.714 1.00 0.52 H ATOM 806 HA LEU A 51 4.246 -1.775 1.501 1.00 0.55 H ATOM 807 HB2 LEU A 51 5.625 0.355 1.488 1.00 0.56 H ATOM 808 HB3 LEU A 51 6.127 -0.045 3.125 1.00 0.57 H ATOM 809 HG LEU A 51 6.447 -2.128 0.960 1.00 0.84 H ATOM 810 HD11 LEU A 51 8.711 -1.210 0.470 1.00 1.33 H ATOM 811 HD12 LEU A 51 8.310 0.218 1.425 1.00 1.15 H ATOM 812 HD13 LEU A 51 7.414 -0.135 -0.052 1.00 1.19 H ATOM 813 HD21 LEU A 51 8.560 -2.550 2.353 1.00 1.47 H ATOM 814 HD22 LEU A 51 7.035 -2.899 3.154 1.00 1.40 H ATOM 815 HD23 LEU A 51 7.905 -1.413 3.527 1.00 1.33 H ATOM 816 N THR A 52 4.553 -1.641 4.781 1.00 0.52 N ATOM 817 CA THR A 52 4.665 -2.471 5.975 1.00 0.59 C ATOM 818 C THR A 52 3.497 -3.448 6.066 1.00 0.57 C ATOM 819 O THR A 52 3.675 -4.613 6.420 1.00 0.68 O ATOM 820 CB THR A 52 4.690 -1.587 7.224 1.00 0.67 C ATOM 821 OG1 THR A 52 5.733 -0.629 7.103 1.00 0.92 O ATOM 822 CG2 THR A 52 4.932 -2.454 8.460 1.00 0.83 C ATOM 823 H THR A 52 4.436 -0.672 4.875 1.00 0.52 H ATOM 824 HA THR A 52 5.586 -3.030 5.927 1.00 0.63 H ATOM 825 HB THR A 52 3.744 -1.079 7.325 1.00 0.74 H ATOM 826 HG1 THR A 52 6.395 -0.985 6.505 1.00 1.25 H ATOM 827 HG21 THR A 52 5.768 -3.113 8.280 1.00 1.36 H ATOM 828 HG22 THR A 52 4.049 -3.041 8.666 1.00 1.30 H ATOM 829 HG23 THR A 52 5.149 -1.820 9.307 1.00 1.40 H ATOM 830 N TYR A 53 2.302 -2.961 5.750 1.00 0.57 N ATOM 831 CA TYR A 53 1.106 -3.794 5.807 1.00 0.57 C ATOM 832 C TYR A 53 1.198 -4.959 4.824 1.00 0.52 C ATOM 833 O TYR A 53 0.794 -6.078 5.137 1.00 0.55 O ATOM 834 CB TYR A 53 -0.127 -2.948 5.483 1.00 0.63 C ATOM 835 CG TYR A 53 -1.373 -3.776 5.680 1.00 0.63 C ATOM 836 CD1 TYR A 53 -1.951 -3.877 6.952 1.00 1.31 C ATOM 837 CD2 TYR A 53 -1.953 -4.442 4.594 1.00 1.34 C ATOM 838 CE1 TYR A 53 -3.107 -4.643 7.136 1.00 1.29 C ATOM 839 CE2 TYR A 53 -3.110 -5.208 4.778 1.00 1.42 C ATOM 840 CZ TYR A 53 -3.687 -5.308 6.050 1.00 0.75 C ATOM 841 OH TYR A 53 -4.827 -6.063 6.233 1.00 0.85 O ATOM 842 H TYR A 53 2.222 -2.022 5.481 1.00 0.65 H ATOM 843 HA TYR A 53 1.002 -4.188 6.806 1.00 0.61 H ATOM 844 HB2 TYR A 53 -0.157 -2.090 6.139 1.00 0.73 H ATOM 845 HB3 TYR A 53 -0.076 -2.616 4.457 1.00 0.64 H ATOM 846 HD1 TYR A 53 -1.504 -3.363 7.790 1.00 2.15 H ATOM 847 HD2 TYR A 53 -1.507 -4.364 3.613 1.00 2.14 H ATOM 848 HE1 TYR A 53 -3.553 -4.720 8.117 1.00 2.08 H ATOM 849 HE2 TYR A 53 -3.557 -5.722 3.940 1.00 2.27 H ATOM 850 HH TYR A 53 -4.773 -6.477 7.098 1.00 0.85 H ATOM 851 N ALA A 54 1.721 -4.687 3.632 1.00 0.51 N ATOM 852 CA ALA A 54 1.847 -5.722 2.611 1.00 0.51 C ATOM 853 C ALA A 54 2.829 -6.806 3.043 1.00 0.50 C ATOM 854 O ALA A 54 2.584 -7.994 2.844 1.00 0.57 O ATOM 855 CB ALA A 54 2.319 -5.101 1.295 1.00 0.58 C ATOM 856 H ALA A 54 2.021 -3.775 3.434 1.00 0.53 H ATOM 857 HA ALA A 54 0.880 -6.173 2.452 1.00 0.54 H ATOM 858 HB1 ALA A 54 3.327 -4.730 1.414 1.00 1.21 H ATOM 859 HB2 ALA A 54 1.665 -4.285 1.027 1.00 1.17 H ATOM 860 HB3 ALA A 54 2.300 -5.849 0.517 1.00 1.13 H ATOM 861 N PHE A 55 3.943 -6.388 3.628 1.00 0.52 N ATOM 862 CA PHE A 55 4.960 -7.331 4.078 1.00 0.54 C ATOM 863 C PHE A 55 4.433 -8.183 5.233 1.00 0.55 C ATOM 864 O PHE A 55 4.913 -9.293 5.462 1.00 0.72 O ATOM 865 CB PHE A 55 6.228 -6.570 4.509 1.00 0.55 C ATOM 866 CG PHE A 55 7.080 -6.236 3.294 1.00 0.56 C ATOM 867 CD1 PHE A 55 6.519 -5.558 2.201 1.00 1.21 C ATOM 868 CD2 PHE A 55 8.433 -6.604 3.263 1.00 1.30 C ATOM 869 CE1 PHE A 55 7.307 -5.251 1.086 1.00 1.24 C ATOM 870 CE2 PHE A 55 9.219 -6.296 2.146 1.00 1.30 C ATOM 871 CZ PHE A 55 8.655 -5.620 1.058 1.00 0.65 C ATOM 872 H PHE A 55 4.088 -5.427 3.756 1.00 0.57 H ATOM 873 HA PHE A 55 5.209 -7.988 3.256 1.00 0.58 H ATOM 874 HB2 PHE A 55 5.941 -5.654 5.005 1.00 0.54 H ATOM 875 HB3 PHE A 55 6.802 -7.181 5.193 1.00 0.60 H ATOM 876 HD1 PHE A 55 5.481 -5.272 2.216 1.00 1.99 H ATOM 877 HD2 PHE A 55 8.870 -7.125 4.102 1.00 2.10 H ATOM 878 HE1 PHE A 55 6.873 -4.729 0.246 1.00 2.04 H ATOM 879 HE2 PHE A 55 10.260 -6.580 2.124 1.00 2.10 H ATOM 880 HZ PHE A 55 9.261 -5.382 0.196 1.00 0.70 H ATOM 881 N GLY A 56 3.450 -7.660 5.959 1.00 0.66 N ATOM 882 CA GLY A 56 2.881 -8.392 7.085 1.00 0.73 C ATOM 883 C GLY A 56 1.566 -7.770 7.546 1.00 0.81 C ATOM 884 O GLY A 56 1.526 -7.054 8.547 1.00 1.54 O ATOM 885 H GLY A 56 3.103 -6.772 5.735 1.00 0.84 H ATOM 886 HA2 GLY A 56 2.705 -9.415 6.789 1.00 0.79 H ATOM 887 HA3 GLY A 56 3.582 -8.377 7.906 1.00 0.97 H ATOM 888 N GLY A 57 0.489 -8.053 6.817 1.00 0.76 N ATOM 889 CA GLY A 57 -0.823 -7.519 7.171 1.00 0.91 C ATOM 890 C GLY A 57 -1.484 -8.383 8.241 1.00 1.22 C ATOM 891 O GLY A 57 -0.897 -9.356 8.714 1.00 1.46 O ATOM 892 H GLY A 57 0.577 -8.633 6.031 1.00 1.19 H ATOM 893 HA2 GLY A 57 -0.711 -6.511 7.544 1.00 1.15 H ATOM 894 HA3 GLY A 57 -1.450 -7.506 6.292 1.00 0.94 H ATOM 895 N THR A 58 -2.712 -8.022 8.620 1.00 1.78 N ATOM 896 CA THR A 58 -3.456 -8.770 9.641 1.00 2.26 C ATOM 897 C THR A 58 -4.732 -9.357 9.046 1.00 2.06 C ATOM 898 O THR A 58 -5.451 -8.682 8.309 1.00 2.15 O ATOM 899 CB THR A 58 -3.817 -7.841 10.802 1.00 3.21 C ATOM 900 OG1 THR A 58 -2.638 -7.214 11.288 1.00 3.85 O ATOM 901 CG2 THR A 58 -4.467 -8.651 11.924 1.00 3.75 C ATOM 902 H THR A 58 -3.128 -7.237 8.206 1.00 2.08 H ATOM 903 HA THR A 58 -2.844 -9.578 10.020 1.00 2.46 H ATOM 904 HB THR A 58 -4.510 -7.088 10.459 1.00 3.58 H ATOM 905 HG1 THR A 58 -2.799 -6.269 11.326 1.00 4.04 H ATOM 906 HG21 THR A 58 -3.793 -9.432 12.241 1.00 4.01 H ATOM 907 HG22 THR A 58 -5.385 -9.091 11.564 1.00 4.18 H ATOM 908 HG23 THR A 58 -4.683 -8.001 12.759 1.00 4.00 H ATOM 909 N ASP A 59 -5.007 -10.617 9.369 1.00 2.26 N ATOM 910 CA ASP A 59 -6.199 -11.284 8.856 1.00 2.48 C ATOM 911 C ASP A 59 -7.460 -10.528 9.261 1.00 2.17 C ATOM 912 O ASP A 59 -8.385 -10.373 8.463 1.00 2.57 O ATOM 913 CB ASP A 59 -6.268 -12.715 9.393 1.00 2.99 C ATOM 914 CG ASP A 59 -5.132 -13.547 8.806 1.00 3.58 C ATOM 915 OD1 ASP A 59 -4.498 -13.076 7.876 1.00 4.10 O ATOM 916 OD2 ASP A 59 -4.914 -14.643 9.295 1.00 4.05 O ATOM 917 H ASP A 59 -4.397 -11.107 9.960 1.00 2.52 H ATOM 918 HA ASP A 59 -6.144 -11.320 7.779 1.00 2.96 H ATOM 919 HB2 ASP A 59 -6.180 -12.698 10.469 1.00 3.08 H ATOM 920 HB3 ASP A 59 -7.214 -13.156 9.117 1.00 3.49 H ATOM 921 N LYS A 60 -7.492 -10.056 10.507 1.00 2.05 N ATOM 922 CA LYS A 60 -8.647 -9.311 11.016 1.00 2.12 C ATOM 923 C LYS A 60 -8.191 -8.094 11.814 1.00 1.81 C ATOM 924 O LYS A 60 -7.281 -8.187 12.637 1.00 1.84 O ATOM 925 CB LYS A 60 -9.494 -10.218 11.911 1.00 2.57 C ATOM 926 CG LYS A 60 -10.036 -11.387 11.086 1.00 2.91 C ATOM 927 CD LYS A 60 -10.802 -12.354 11.999 1.00 3.72 C ATOM 928 CE LYS A 60 -12.067 -11.680 12.547 1.00 4.45 C ATOM 929 NZ LYS A 60 -13.045 -12.727 12.957 1.00 4.96 N ATOM 930 H LYS A 60 -6.725 -10.210 11.097 1.00 2.35 H ATOM 931 HA LYS A 60 -9.256 -8.975 10.187 1.00 2.37 H ATOM 932 HB2 LYS A 60 -8.885 -10.597 12.719 1.00 2.97 H ATOM 933 HB3 LYS A 60 -10.319 -9.652 12.316 1.00 2.92 H ATOM 934 HG2 LYS A 60 -10.698 -11.011 10.320 1.00 3.10 H ATOM 935 HG3 LYS A 60 -9.213 -11.911 10.624 1.00 3.07 H ATOM 936 HD2 LYS A 60 -11.081 -13.232 11.434 1.00 4.08 H ATOM 937 HD3 LYS A 60 -10.168 -12.646 12.823 1.00 3.94 H ATOM 938 HE2 LYS A 60 -11.811 -11.075 13.404 1.00 4.68 H ATOM 939 HE3 LYS A 60 -12.510 -11.056 11.784 1.00 4.87 H ATOM 940 HZ1 LYS A 60 -13.841 -12.282 13.456 1.00 5.20 H ATOM 941 HZ2 LYS A 60 -12.577 -13.409 13.589 1.00 5.25 H ATOM 942 HZ3 LYS A 60 -13.399 -13.221 12.114 1.00 5.20 H ATOM 943 N TYR A 61 -8.837 -6.953 11.572 1.00 1.73 N ATOM 944 CA TYR A 61 -8.501 -5.715 12.280 1.00 1.51 C ATOM 945 C TYR A 61 -9.765 -5.037 12.797 1.00 1.41 C ATOM 946 O TYR A 61 -10.702 -4.789 12.038 1.00 1.60 O ATOM 947 CB TYR A 61 -7.763 -4.759 11.342 1.00 1.50 C ATOM 948 CG TYR A 61 -7.367 -3.517 12.104 1.00 1.42 C ATOM 949 CD1 TYR A 61 -6.152 -3.478 12.798 1.00 2.05 C ATOM 950 CD2 TYR A 61 -8.218 -2.405 12.121 1.00 1.60 C ATOM 951 CE1 TYR A 61 -5.787 -2.328 13.508 1.00 2.14 C ATOM 952 CE2 TYR A 61 -7.854 -1.255 12.831 1.00 1.63 C ATOM 953 CZ TYR A 61 -6.638 -1.217 13.525 1.00 1.59 C ATOM 954 OH TYR A 61 -6.279 -0.083 14.225 1.00 1.80 O ATOM 955 H TYR A 61 -9.559 -6.944 10.909 1.00 1.97 H ATOM 956 HA TYR A 61 -7.859 -5.940 13.122 1.00 1.58 H ATOM 957 HB2 TYR A 61 -6.878 -5.244 10.956 1.00 1.68 H ATOM 958 HB3 TYR A 61 -8.411 -4.486 10.522 1.00 1.50 H ATOM 959 HD1 TYR A 61 -5.495 -4.335 12.785 1.00 2.75 H ATOM 960 HD2 TYR A 61 -9.156 -2.435 11.586 1.00 2.21 H ATOM 961 HE1 TYR A 61 -4.850 -2.298 14.044 1.00 2.92 H ATOM 962 HE2 TYR A 61 -8.511 -0.398 12.845 1.00 2.21 H ATOM 963 HH TYR A 61 -5.322 -0.011 14.203 1.00 1.97 H ATOM 964 N ASP A 62 -9.782 -4.734 14.093 1.00 1.41 N ATOM 965 CA ASP A 62 -10.934 -4.075 14.705 1.00 1.48 C ATOM 966 C ASP A 62 -10.774 -2.560 14.644 1.00 1.36 C ATOM 967 O ASP A 62 -9.741 -2.021 15.041 1.00 1.54 O ATOM 968 CB ASP A 62 -11.069 -4.515 16.164 1.00 1.85 C ATOM 969 CG ASP A 62 -11.413 -5.999 16.232 1.00 2.37 C ATOM 970 OD1 ASP A 62 -11.770 -6.552 15.205 1.00 2.89 O ATOM 971 OD2 ASP A 62 -11.314 -6.561 17.311 1.00 2.96 O ATOM 972 H ASP A 62 -9.003 -4.952 14.647 1.00 1.57 H ATOM 973 HA ASP A 62 -11.832 -4.355 14.173 1.00 1.49 H ATOM 974 HB2 ASP A 62 -10.136 -4.338 16.679 1.00 2.44 H ATOM 975 HB3 ASP A 62 -11.854 -3.945 16.639 1.00 1.95 H ATOM 976 N GLY A 63 -11.801 -1.875 14.148 1.00 1.18 N ATOM 977 CA GLY A 63 -11.756 -0.419 14.048 1.00 1.14 C ATOM 978 C GLY A 63 -12.727 0.093 12.989 1.00 1.00 C ATOM 979 O GLY A 63 -12.356 0.274 11.829 1.00 0.88 O ATOM 980 H GLY A 63 -12.601 -2.355 13.849 1.00 1.17 H ATOM 981 HA2 GLY A 63 -12.018 0.009 15.004 1.00 1.32 H ATOM 982 HA3 GLY A 63 -10.755 -0.111 13.784 1.00 1.16 H ATOM 983 N ARG A 64 -13.967 0.337 13.398 1.00 1.09 N ATOM 984 CA ARG A 64 -14.980 0.843 12.479 1.00 1.04 C ATOM 985 C ARG A 64 -14.496 2.136 11.830 1.00 0.92 C ATOM 986 O ARG A 64 -14.819 2.427 10.679 1.00 0.92 O ATOM 987 CB ARG A 64 -16.289 1.099 13.232 1.00 1.20 C ATOM 988 CG ARG A 64 -17.393 1.469 12.239 1.00 1.73 C ATOM 989 CD ARG A 64 -18.674 1.809 13.003 1.00 2.26 C ATOM 990 NE ARG A 64 -19.118 0.658 13.781 1.00 2.76 N ATOM 991 CZ ARG A 64 -20.119 0.760 14.649 1.00 3.37 C ATOM 992 NH1 ARG A 64 -20.699 1.912 14.843 1.00 3.65 N ATOM 993 NH2 ARG A 64 -20.520 -0.292 15.309 1.00 4.20 N ATOM 994 H ARG A 64 -14.203 0.183 14.337 1.00 1.24 H ATOM 995 HA ARG A 64 -15.157 0.107 11.709 1.00 1.06 H ATOM 996 HB2 ARG A 64 -16.573 0.208 13.772 1.00 1.66 H ATOM 997 HB3 ARG A 64 -16.149 1.912 13.930 1.00 1.60 H ATOM 998 HG2 ARG A 64 -17.084 2.326 11.657 1.00 2.18 H ATOM 999 HG3 ARG A 64 -17.580 0.634 11.580 1.00 2.24 H ATOM 1000 HD2 ARG A 64 -18.485 2.636 13.668 1.00 2.81 H ATOM 1001 HD3 ARG A 64 -19.446 2.086 12.299 1.00 2.51 H ATOM 1002 HE ARG A 64 -18.670 -0.206 13.661 1.00 3.11 H ATOM 1003 HH11 ARG A 64 -20.391 2.719 14.338 1.00 3.42 H ATOM 1004 HH12 ARG A 64 -21.452 1.989 15.496 1.00 4.40 H ATOM 1005 HH21 ARG A 64 -20.075 -1.175 15.160 1.00 4.45 H ATOM 1006 HH22 ARG A 64 -21.273 -0.215 15.962 1.00 4.82 H ATOM 1007 N TYR A 65 -13.722 2.906 12.587 1.00 0.94 N ATOM 1008 CA TYR A 65 -13.191 4.173 12.096 1.00 0.89 C ATOM 1009 C TYR A 65 -12.483 3.996 10.753 1.00 0.75 C ATOM 1010 O TYR A 65 -12.619 4.835 9.862 1.00 0.78 O ATOM 1011 CB TYR A 65 -12.216 4.749 13.135 1.00 1.03 C ATOM 1012 CG TYR A 65 -11.429 5.901 12.539 1.00 0.99 C ATOM 1013 CD1 TYR A 65 -12.086 7.074 12.150 1.00 1.55 C ATOM 1014 CD2 TYR A 65 -10.041 5.789 12.371 1.00 1.52 C ATOM 1015 CE1 TYR A 65 -11.356 8.132 11.594 1.00 1.56 C ATOM 1016 CE2 TYR A 65 -9.313 6.846 11.816 1.00 1.59 C ATOM 1017 CZ TYR A 65 -9.971 8.018 11.427 1.00 1.11 C ATOM 1018 OH TYR A 65 -9.254 9.062 10.878 1.00 1.23 O ATOM 1019 H TYR A 65 -13.505 2.617 13.498 1.00 1.06 H ATOM 1020 HA TYR A 65 -14.008 4.866 11.970 1.00 0.89 H ATOM 1021 HB2 TYR A 65 -12.775 5.104 13.989 1.00 1.15 H ATOM 1022 HB3 TYR A 65 -11.535 3.972 13.454 1.00 1.11 H ATOM 1023 HD1 TYR A 65 -13.155 7.163 12.279 1.00 2.33 H ATOM 1024 HD2 TYR A 65 -9.532 4.886 12.673 1.00 2.26 H ATOM 1025 HE1 TYR A 65 -11.862 9.036 11.293 1.00 2.30 H ATOM 1026 HE2 TYR A 65 -8.243 6.757 11.687 1.00 2.38 H ATOM 1027 HH TYR A 65 -9.804 9.483 10.213 1.00 1.27 H ATOM 1028 N MET A 66 -11.718 2.921 10.612 1.00 0.70 N ATOM 1029 CA MET A 66 -10.995 2.690 9.367 1.00 0.63 C ATOM 1030 C MET A 66 -11.969 2.552 8.203 1.00 0.55 C ATOM 1031 O MET A 66 -11.746 3.106 7.127 1.00 0.61 O ATOM 1032 CB MET A 66 -10.150 1.416 9.472 1.00 0.67 C ATOM 1033 CG MET A 66 -9.350 1.415 10.781 1.00 0.77 C ATOM 1034 SD MET A 66 -8.534 3.014 11.028 1.00 0.90 S ATOM 1035 CE MET A 66 -7.498 2.990 9.547 1.00 0.97 C ATOM 1036 H MET A 66 -11.630 2.284 11.352 1.00 0.78 H ATOM 1037 HA MET A 66 -10.349 3.530 9.175 1.00 0.67 H ATOM 1038 HB2 MET A 66 -10.802 0.555 9.452 1.00 0.70 H ATOM 1039 HB3 MET A 66 -9.468 1.365 8.635 1.00 0.68 H ATOM 1040 HG2 MET A 66 -10.019 1.227 11.608 1.00 0.83 H ATOM 1041 HG3 MET A 66 -8.604 0.635 10.742 1.00 0.85 H ATOM 1042 HE1 MET A 66 -8.094 3.251 8.684 1.00 1.54 H ATOM 1043 HE2 MET A 66 -7.084 2.005 9.410 1.00 1.43 H ATOM 1044 HE3 MET A 66 -6.698 3.703 9.665 1.00 1.53 H ATOM 1045 N ARG A 67 -13.049 1.815 8.426 1.00 0.55 N ATOM 1046 CA ARG A 67 -14.049 1.618 7.386 1.00 0.56 C ATOM 1047 C ARG A 67 -14.818 2.910 7.120 1.00 0.55 C ATOM 1048 O ARG A 67 -15.157 3.216 5.979 1.00 0.54 O ATOM 1049 CB ARG A 67 -15.024 0.515 7.803 1.00 0.69 C ATOM 1050 CG ARG A 67 -14.269 -0.808 7.948 1.00 1.29 C ATOM 1051 CD ARG A 67 -15.262 -1.932 8.251 1.00 1.62 C ATOM 1052 NE ARG A 67 -14.549 -3.158 8.590 1.00 2.35 N ATOM 1053 CZ ARG A 67 -15.205 -4.265 8.922 1.00 3.14 C ATOM 1054 NH1 ARG A 67 -16.510 -4.263 8.962 1.00 3.41 N ATOM 1055 NH2 ARG A 67 -14.545 -5.354 9.209 1.00 4.07 N ATOM 1056 H ARG A 67 -13.177 1.399 9.304 1.00 0.63 H ATOM 1057 HA ARG A 67 -13.551 1.315 6.477 1.00 0.55 H ATOM 1058 HB2 ARG A 67 -15.479 0.774 8.747 1.00 1.26 H ATOM 1059 HB3 ARG A 67 -15.791 0.408 7.051 1.00 1.33 H ATOM 1060 HG2 ARG A 67 -13.746 -1.026 7.029 1.00 1.92 H ATOM 1061 HG3 ARG A 67 -13.559 -0.731 8.758 1.00 1.95 H ATOM 1062 HD2 ARG A 67 -15.887 -1.642 9.082 1.00 1.89 H ATOM 1063 HD3 ARG A 67 -15.881 -2.104 7.382 1.00 2.08 H ATOM 1064 HE ARG A 67 -13.569 -3.166 8.573 1.00 2.70 H ATOM 1065 HH11 ARG A 67 -17.015 -3.429 8.743 1.00 3.11 H ATOM 1066 HH12 ARG A 67 -17.003 -5.096 9.212 1.00 4.19 H ATOM 1067 HH21 ARG A 67 -13.546 -5.355 9.178 1.00 4.31 H ATOM 1068 HH22 ARG A 67 -15.039 -6.186 9.459 1.00 4.72 H ATOM 1069 N GLU A 68 -15.100 3.657 8.183 1.00 0.63 N ATOM 1070 CA GLU A 68 -15.847 4.906 8.057 1.00 0.66 C ATOM 1071 C GLU A 68 -15.157 5.874 7.098 1.00 0.58 C ATOM 1072 O GLU A 68 -15.815 6.549 6.305 1.00 0.57 O ATOM 1073 CB GLU A 68 -15.981 5.563 9.435 1.00 0.76 C ATOM 1074 CG GLU A 68 -16.955 6.742 9.359 1.00 1.13 C ATOM 1075 CD GLU A 68 -18.372 6.235 9.114 1.00 1.66 C ATOM 1076 OE1 GLU A 68 -18.640 5.095 9.457 1.00 2.31 O ATOM 1077 OE2 GLU A 68 -19.169 6.993 8.586 1.00 2.28 O ATOM 1078 H GLU A 68 -14.810 3.358 9.070 1.00 0.70 H ATOM 1079 HA GLU A 68 -16.833 4.687 7.683 1.00 0.71 H ATOM 1080 HB2 GLU A 68 -16.350 4.836 10.143 1.00 1.12 H ATOM 1081 HB3 GLU A 68 -15.014 5.919 9.757 1.00 1.10 H ATOM 1082 HG2 GLU A 68 -16.928 7.287 10.292 1.00 1.77 H ATOM 1083 HG3 GLU A 68 -16.667 7.400 8.553 1.00 1.70 H ATOM 1084 N ALA A 69 -13.836 5.949 7.179 1.00 0.56 N ATOM 1085 CA ALA A 69 -13.083 6.854 6.318 1.00 0.52 C ATOM 1086 C ALA A 69 -12.966 6.304 4.898 1.00 0.45 C ATOM 1087 O ALA A 69 -13.393 6.943 3.936 1.00 0.49 O ATOM 1088 CB ALA A 69 -11.683 7.074 6.894 1.00 0.57 C ATOM 1089 H ALA A 69 -13.360 5.396 7.834 1.00 0.59 H ATOM 1090 HA ALA A 69 -13.593 7.804 6.281 1.00 0.53 H ATOM 1091 HB1 ALA A 69 -11.204 6.118 7.050 1.00 1.13 H ATOM 1092 HB2 ALA A 69 -11.760 7.596 7.836 1.00 1.15 H ATOM 1093 HB3 ALA A 69 -11.098 7.662 6.203 1.00 1.11 H ATOM 1094 N HIS A 70 -12.367 5.127 4.773 1.00 0.41 N ATOM 1095 CA HIS A 70 -12.180 4.515 3.464 1.00 0.38 C ATOM 1096 C HIS A 70 -13.509 4.304 2.735 1.00 0.41 C ATOM 1097 O HIS A 70 -13.592 4.526 1.528 1.00 0.47 O ATOM 1098 CB HIS A 70 -11.430 3.189 3.611 1.00 0.38 C ATOM 1099 CG HIS A 70 -10.017 3.470 4.060 1.00 0.36 C ATOM 1100 ND1 HIS A 70 -9.447 2.841 5.162 1.00 0.52 N ATOM 1101 CD2 HIS A 70 -9.053 4.323 3.574 1.00 0.43 C ATOM 1102 CE1 HIS A 70 -8.194 3.322 5.301 1.00 0.48 C ATOM 1103 NE2 HIS A 70 -7.912 4.226 4.362 1.00 0.40 N ATOM 1104 H HIS A 70 -12.033 4.669 5.572 1.00 0.44 H ATOM 1105 HA HIS A 70 -11.573 5.180 2.866 1.00 0.38 H ATOM 1106 HB2 HIS A 70 -11.928 2.572 4.345 1.00 0.43 H ATOM 1107 HB3 HIS A 70 -11.410 2.677 2.660 1.00 0.38 H ATOM 1108 HD1 HIS A 70 -9.876 2.171 5.733 1.00 0.71 H ATOM 1109 HD2 HIS A 70 -9.159 4.956 2.706 1.00 0.62 H ATOM 1110 HE1 HIS A 70 -7.502 3.003 6.066 1.00 0.65 H ATOM 1111 N LYS A 71 -14.551 3.882 3.455 1.00 0.44 N ATOM 1112 CA LYS A 71 -15.846 3.668 2.809 1.00 0.49 C ATOM 1113 C LYS A 71 -16.400 4.986 2.279 1.00 0.50 C ATOM 1114 O LYS A 71 -17.060 5.017 1.242 1.00 0.56 O ATOM 1115 CB LYS A 71 -16.854 3.013 3.772 1.00 0.57 C ATOM 1116 CG LYS A 71 -17.362 4.027 4.827 1.00 0.60 C ATOM 1117 CD LYS A 71 -18.721 4.622 4.402 1.00 1.19 C ATOM 1118 CE LYS A 71 -19.858 3.686 4.825 1.00 1.54 C ATOM 1119 NZ LYS A 71 -21.130 4.131 4.189 1.00 2.10 N ATOM 1120 H LYS A 71 -14.448 3.718 4.415 1.00 0.48 H ATOM 1121 HA LYS A 71 -15.698 3.003 1.970 1.00 0.51 H ATOM 1122 HB2 LYS A 71 -17.689 2.632 3.200 1.00 0.62 H ATOM 1123 HB3 LYS A 71 -16.373 2.186 4.273 1.00 0.59 H ATOM 1124 HG2 LYS A 71 -17.479 3.523 5.777 1.00 1.04 H ATOM 1125 HG3 LYS A 71 -16.644 4.825 4.943 1.00 0.94 H ATOM 1126 HD2 LYS A 71 -18.856 5.584 4.875 1.00 1.90 H ATOM 1127 HD3 LYS A 71 -18.745 4.746 3.330 1.00 1.82 H ATOM 1128 HE2 LYS A 71 -19.632 2.678 4.510 1.00 2.03 H ATOM 1129 HE3 LYS A 71 -19.964 3.712 5.899 1.00 2.13 H ATOM 1130 HZ1 LYS A 71 -21.034 5.116 3.872 1.00 2.53 H ATOM 1131 HZ2 LYS A 71 -21.905 4.062 4.880 1.00 2.55 H ATOM 1132 HZ3 LYS A 71 -21.340 3.525 3.371 1.00 2.49 H ATOM 1133 N GLU A 72 -16.124 6.078 2.986 1.00 0.51 N ATOM 1134 CA GLU A 72 -16.601 7.384 2.549 1.00 0.55 C ATOM 1135 C GLU A 72 -16.089 7.669 1.143 1.00 0.53 C ATOM 1136 O GLU A 72 -16.785 8.266 0.321 1.00 0.59 O ATOM 1137 CB GLU A 72 -16.112 8.470 3.513 1.00 0.59 C ATOM 1138 CG GLU A 72 -16.738 9.815 3.138 1.00 1.25 C ATOM 1139 CD GLU A 72 -16.196 10.912 4.049 1.00 1.73 C ATOM 1140 OE1 GLU A 72 -15.365 10.603 4.886 1.00 2.33 O ATOM 1141 OE2 GLU A 72 -16.622 12.045 3.896 1.00 2.33 O ATOM 1142 H GLU A 72 -15.588 6.006 3.805 1.00 0.52 H ATOM 1143 HA GLU A 72 -17.681 7.380 2.539 1.00 0.61 H ATOM 1144 HB2 GLU A 72 -16.396 8.209 4.522 1.00 0.86 H ATOM 1145 HB3 GLU A 72 -15.038 8.547 3.451 1.00 1.10 H ATOM 1146 HG2 GLU A 72 -16.494 10.050 2.113 1.00 1.98 H ATOM 1147 HG3 GLU A 72 -17.810 9.756 3.249 1.00 1.79 H ATOM 1148 N LEU A 73 -14.864 7.230 0.876 1.00 0.49 N ATOM 1149 CA LEU A 73 -14.251 7.428 -0.432 1.00 0.51 C ATOM 1150 C LEU A 73 -14.965 6.595 -1.496 1.00 0.51 C ATOM 1151 O LEU A 73 -15.077 7.004 -2.651 1.00 0.53 O ATOM 1152 CB LEU A 73 -12.781 7.007 -0.379 1.00 0.52 C ATOM 1153 CG LEU A 73 -12.078 7.691 0.797 1.00 0.53 C ATOM 1154 CD1 LEU A 73 -10.649 7.155 0.906 1.00 0.62 C ATOM 1155 CD2 LEU A 73 -12.038 9.210 0.575 1.00 0.59 C ATOM 1156 H LEU A 73 -14.361 6.759 1.575 1.00 0.47 H ATOM 1157 HA LEU A 73 -14.311 8.470 -0.701 1.00 0.55 H ATOM 1158 HB2 LEU A 73 -12.721 5.935 -0.258 1.00 0.53 H ATOM 1159 HB3 LEU A 73 -12.293 7.290 -1.300 1.00 0.58 H ATOM 1160 HG LEU A 73 -12.613 7.472 1.711 1.00 0.50 H ATOM 1161 HD11 LEU A 73 -10.065 7.514 0.072 1.00 1.10 H ATOM 1162 HD12 LEU A 73 -10.668 6.075 0.893 1.00 1.13 H ATOM 1163 HD13 LEU A 73 -10.206 7.495 1.830 1.00 1.30 H ATOM 1164 HD21 LEU A 73 -13.000 9.635 0.820 1.00 1.28 H ATOM 1165 HD22 LEU A 73 -11.804 9.419 -0.458 1.00 1.18 H ATOM 1166 HD23 LEU A 73 -11.281 9.649 1.209 1.00 1.09 H ATOM 1167 N VAL A 74 -15.419 5.412 -1.099 1.00 0.51 N ATOM 1168 CA VAL A 74 -16.093 4.503 -2.021 1.00 0.56 C ATOM 1169 C VAL A 74 -17.384 5.101 -2.576 1.00 0.61 C ATOM 1170 O VAL A 74 -17.686 4.938 -3.755 1.00 0.67 O ATOM 1171 CB VAL A 74 -16.403 3.186 -1.306 1.00 0.57 C ATOM 1172 CG1 VAL A 74 -17.169 2.253 -2.247 1.00 0.64 C ATOM 1173 CG2 VAL A 74 -15.092 2.519 -0.880 1.00 0.53 C ATOM 1174 H VAL A 74 -15.281 5.134 -0.169 1.00 0.51 H ATOM 1175 HA VAL A 74 -15.431 4.295 -2.846 1.00 0.58 H ATOM 1176 HB VAL A 74 -17.006 3.384 -0.433 1.00 0.58 H ATOM 1177 HG11 VAL A 74 -18.186 2.601 -2.349 1.00 1.17 H ATOM 1178 HG12 VAL A 74 -17.170 1.253 -1.839 1.00 1.20 H ATOM 1179 HG13 VAL A 74 -16.691 2.247 -3.215 1.00 1.14 H ATOM 1180 HG21 VAL A 74 -15.300 1.753 -0.150 1.00 1.10 H ATOM 1181 HG22 VAL A 74 -14.434 3.259 -0.447 1.00 1.11 H ATOM 1182 HG23 VAL A 74 -14.616 2.075 -1.742 1.00 1.20 H ATOM 1183 N GLU A 75 -18.157 5.770 -1.728 1.00 0.61 N ATOM 1184 CA GLU A 75 -19.423 6.357 -2.172 1.00 0.68 C ATOM 1185 C GLU A 75 -19.233 7.756 -2.761 1.00 0.73 C ATOM 1186 O GLU A 75 -19.874 8.109 -3.750 1.00 0.94 O ATOM 1187 CB GLU A 75 -20.405 6.416 -0.995 1.00 0.71 C ATOM 1188 CG GLU A 75 -19.939 7.453 0.030 1.00 1.05 C ATOM 1189 CD GLU A 75 -20.800 7.363 1.286 1.00 1.50 C ATOM 1190 OE1 GLU A 75 -21.750 6.599 1.275 1.00 2.02 O ATOM 1191 OE2 GLU A 75 -20.496 8.061 2.239 1.00 2.16 O ATOM 1192 H GLU A 75 -17.884 5.859 -0.791 1.00 0.58 H ATOM 1193 HA GLU A 75 -19.851 5.722 -2.935 1.00 0.75 H ATOM 1194 HB2 GLU A 75 -21.384 6.689 -1.361 1.00 1.06 H ATOM 1195 HB3 GLU A 75 -20.457 5.446 -0.524 1.00 1.08 H ATOM 1196 HG2 GLU A 75 -18.908 7.263 0.288 1.00 1.45 H ATOM 1197 HG3 GLU A 75 -20.028 8.443 -0.390 1.00 1.62 H ATOM 1198 N ASN A 76 -18.380 8.560 -2.134 1.00 0.71 N ATOM 1199 CA ASN A 76 -18.156 9.930 -2.596 1.00 0.81 C ATOM 1200 C ASN A 76 -17.254 10.009 -3.831 1.00 0.80 C ATOM 1201 O ASN A 76 -17.549 10.753 -4.766 1.00 1.04 O ATOM 1202 CB ASN A 76 -17.541 10.754 -1.465 1.00 0.88 C ATOM 1203 CG ASN A 76 -18.567 10.959 -0.357 1.00 0.93 C ATOM 1204 OD1 ASN A 76 -19.491 11.760 -0.505 1.00 1.57 O ATOM 1205 ND2 ASN A 76 -18.465 10.275 0.750 1.00 1.17 N ATOM 1206 H ASN A 76 -17.912 8.238 -1.335 1.00 0.76 H ATOM 1207 HA ASN A 76 -19.112 10.364 -2.845 1.00 0.91 H ATOM 1208 HB2 ASN A 76 -16.682 10.233 -1.068 1.00 0.85 H ATOM 1209 HB3 ASN A 76 -17.232 11.715 -1.849 1.00 1.02 H ATOM 1210 HD21 ASN A 76 -17.733 9.635 0.863 1.00 1.77 H ATOM 1211 HD22 ASN A 76 -19.121 10.403 1.467 1.00 1.20 H ATOM 1212 N HIS A 77 -16.141 9.272 -3.827 1.00 0.72 N ATOM 1213 CA HIS A 77 -15.199 9.312 -4.956 1.00 0.75 C ATOM 1214 C HIS A 77 -15.380 8.131 -5.907 1.00 0.77 C ATOM 1215 O HIS A 77 -14.866 8.152 -7.025 1.00 1.00 O ATOM 1216 CB HIS A 77 -13.761 9.327 -4.429 1.00 0.69 C ATOM 1217 CG HIS A 77 -13.463 10.668 -3.812 1.00 0.74 C ATOM 1218 ND1 HIS A 77 -13.198 11.793 -4.582 1.00 1.52 N ATOM 1219 CD2 HIS A 77 -13.385 11.084 -2.506 1.00 0.94 C ATOM 1220 CE1 HIS A 77 -12.976 12.820 -3.739 1.00 1.40 C ATOM 1221 NE2 HIS A 77 -13.089 12.389 -2.473 1.00 0.85 N ATOM 1222 H HIS A 77 -15.938 8.711 -3.049 1.00 0.80 H ATOM 1223 HA HIS A 77 -15.361 10.223 -5.517 1.00 0.83 H ATOM 1224 HB2 HIS A 77 -13.643 8.554 -3.684 1.00 0.67 H ATOM 1225 HB3 HIS A 77 -13.076 9.148 -5.244 1.00 0.75 H ATOM 1226 HD1 HIS A 77 -13.177 11.833 -5.561 1.00 2.21 H ATOM 1227 HD2 HIS A 77 -13.538 10.464 -1.637 1.00 1.68 H ATOM 1228 HE1 HIS A 77 -12.742 13.831 -4.036 1.00 2.02 H ATOM 1229 HE2 HIS A 77 -12.976 12.935 -1.667 1.00 1.02 H ATOM 1230 N GLY A 78 -16.102 7.105 -5.475 1.00 0.69 N ATOM 1231 CA GLY A 78 -16.314 5.942 -6.331 1.00 0.72 C ATOM 1232 C GLY A 78 -15.078 5.047 -6.360 1.00 0.67 C ATOM 1233 O GLY A 78 -14.656 4.594 -7.424 1.00 0.70 O ATOM 1234 H GLY A 78 -16.493 7.128 -4.577 1.00 0.74 H ATOM 1235 HA2 GLY A 78 -17.156 5.376 -5.963 1.00 0.74 H ATOM 1236 HA3 GLY A 78 -16.527 6.276 -7.335 1.00 0.79 H ATOM 1237 N LEU A 79 -14.498 4.793 -5.188 1.00 0.60 N ATOM 1238 CA LEU A 79 -13.308 3.948 -5.103 1.00 0.57 C ATOM 1239 C LEU A 79 -13.713 2.477 -5.146 1.00 0.60 C ATOM 1240 O LEU A 79 -14.611 2.049 -4.421 1.00 0.85 O ATOM 1241 CB LEU A 79 -12.552 4.237 -3.797 1.00 0.52 C ATOM 1242 CG LEU A 79 -11.184 3.521 -3.792 1.00 0.54 C ATOM 1243 CD1 LEU A 79 -10.140 4.361 -4.537 1.00 0.61 C ATOM 1244 CD2 LEU A 79 -10.714 3.317 -2.347 1.00 0.51 C ATOM 1245 H LEU A 79 -14.876 5.179 -4.370 1.00 0.60 H ATOM 1246 HA LEU A 79 -12.665 4.161 -5.940 1.00 0.58 H ATOM 1247 HB2 LEU A 79 -12.403 5.304 -3.700 1.00 0.51 H ATOM 1248 HB3 LEU A 79 -13.142 3.885 -2.964 1.00 0.54 H ATOM 1249 HG LEU A 79 -11.276 2.559 -4.275 1.00 0.67 H ATOM 1250 HD11 LEU A 79 -10.402 4.427 -5.581 1.00 1.20 H ATOM 1251 HD12 LEU A 79 -9.170 3.895 -4.440 1.00 1.10 H ATOM 1252 HD13 LEU A 79 -10.104 5.352 -4.111 1.00 1.23 H ATOM 1253 HD21 LEU A 79 -11.378 2.627 -1.847 1.00 1.19 H ATOM 1254 HD22 LEU A 79 -10.724 4.265 -1.829 1.00 1.16 H ATOM 1255 HD23 LEU A 79 -9.711 2.917 -2.347 1.00 1.07 H ATOM 1256 N ASN A 80 -13.048 1.706 -6.009 1.00 0.56 N ATOM 1257 CA ASN A 80 -13.348 0.278 -6.154 1.00 0.60 C ATOM 1258 C ASN A 80 -12.074 -0.561 -6.089 1.00 0.51 C ATOM 1259 O ASN A 80 -10.972 -0.032 -5.939 1.00 0.44 O ATOM 1260 CB ASN A 80 -14.053 0.034 -7.490 1.00 0.71 C ATOM 1261 CG ASN A 80 -13.085 0.273 -8.644 1.00 0.68 C ATOM 1262 OD1 ASN A 80 -12.032 0.882 -8.454 1.00 0.61 O ATOM 1263 ND2 ASN A 80 -13.380 -0.172 -9.835 1.00 0.82 N ATOM 1264 H ASN A 80 -12.347 2.106 -6.565 1.00 0.67 H ATOM 1265 HA ASN A 80 -14.007 -0.035 -5.355 1.00 0.65 H ATOM 1266 HB2 ASN A 80 -14.408 -0.986 -7.526 1.00 0.76 H ATOM 1267 HB3 ASN A 80 -14.891 0.709 -7.582 1.00 0.81 H ATOM 1268 HD21 ASN A 80 -14.218 -0.656 -9.983 1.00 0.94 H ATOM 1269 HD22 ASN A 80 -12.762 -0.022 -10.581 1.00 0.86 H ATOM 1270 N GLY A 81 -12.243 -1.875 -6.199 1.00 0.56 N ATOM 1271 CA GLY A 81 -11.114 -2.797 -6.148 1.00 0.52 C ATOM 1272 C GLY A 81 -10.076 -2.473 -7.217 1.00 0.48 C ATOM 1273 O GLY A 81 -8.883 -2.710 -7.023 1.00 0.44 O ATOM 1274 H GLY A 81 -13.148 -2.233 -6.313 1.00 0.65 H ATOM 1275 HA2 GLY A 81 -10.651 -2.735 -5.175 1.00 0.50 H ATOM 1276 HA3 GLY A 81 -11.475 -3.803 -6.304 1.00 0.57 H ATOM 1277 N GLU A 82 -10.529 -1.943 -8.348 1.00 0.56 N ATOM 1278 CA GLU A 82 -9.612 -1.610 -9.433 1.00 0.59 C ATOM 1279 C GLU A 82 -8.556 -0.620 -8.955 1.00 0.51 C ATOM 1280 O GLU A 82 -7.382 -0.735 -9.306 1.00 0.56 O ATOM 1281 CB GLU A 82 -10.387 -1.004 -10.608 1.00 0.71 C ATOM 1282 CG GLU A 82 -11.369 -2.037 -11.171 1.00 1.45 C ATOM 1283 CD GLU A 82 -10.610 -3.217 -11.769 1.00 2.05 C ATOM 1284 OE1 GLU A 82 -9.429 -3.065 -12.032 1.00 2.56 O ATOM 1285 OE2 GLU A 82 -11.222 -4.256 -11.956 1.00 2.71 O ATOM 1286 H GLU A 82 -11.489 -1.781 -8.457 1.00 0.64 H ATOM 1287 HA GLU A 82 -9.120 -2.511 -9.765 1.00 0.64 H ATOM 1288 HB2 GLU A 82 -10.933 -0.137 -10.268 1.00 1.34 H ATOM 1289 HB3 GLU A 82 -9.695 -0.712 -11.382 1.00 1.14 H ATOM 1290 HG2 GLU A 82 -12.010 -2.390 -10.376 1.00 2.01 H ATOM 1291 HG3 GLU A 82 -11.973 -1.575 -11.938 1.00 2.11 H ATOM 1292 N HIS A 83 -8.974 0.345 -8.141 1.00 0.43 N ATOM 1293 CA HIS A 83 -8.042 1.334 -7.614 1.00 0.40 C ATOM 1294 C HIS A 83 -7.016 0.661 -6.709 1.00 0.36 C ATOM 1295 O HIS A 83 -5.817 0.919 -6.809 1.00 0.43 O ATOM 1296 CB HIS A 83 -8.798 2.404 -6.826 1.00 0.40 C ATOM 1297 CG HIS A 83 -9.680 3.186 -7.759 1.00 0.50 C ATOM 1298 ND1 HIS A 83 -11.065 3.136 -7.683 1.00 0.62 N ATOM 1299 CD2 HIS A 83 -9.392 4.045 -8.791 1.00 0.61 C ATOM 1300 CE1 HIS A 83 -11.554 3.943 -8.644 1.00 0.75 C ATOM 1301 NE2 HIS A 83 -10.576 4.519 -9.344 1.00 0.75 N ATOM 1302 H HIS A 83 -9.919 0.386 -7.884 1.00 0.45 H ATOM 1303 HA HIS A 83 -7.527 1.806 -8.438 1.00 0.44 H ATOM 1304 HB2 HIS A 83 -9.405 1.931 -6.068 1.00 0.45 H ATOM 1305 HB3 HIS A 83 -8.091 3.072 -6.356 1.00 0.40 H ATOM 1306 HD2 HIS A 83 -8.399 4.311 -9.122 1.00 0.66 H ATOM 1307 HE1 HIS A 83 -12.606 4.106 -8.822 1.00 0.88 H ATOM 1308 HE2 HIS A 83 -10.672 5.145 -10.092 1.00 0.86 H ATOM 1309 N PHE A 84 -7.503 -0.206 -5.827 1.00 0.33 N ATOM 1310 CA PHE A 84 -6.630 -0.921 -4.903 1.00 0.33 C ATOM 1311 C PHE A 84 -5.618 -1.770 -5.666 1.00 0.36 C ATOM 1312 O PHE A 84 -4.435 -1.797 -5.328 1.00 0.44 O ATOM 1313 CB PHE A 84 -7.470 -1.821 -3.994 1.00 0.36 C ATOM 1314 CG PHE A 84 -6.579 -2.494 -2.978 1.00 0.36 C ATOM 1315 CD1 PHE A 84 -6.289 -1.854 -1.766 1.00 1.29 C ATOM 1316 CD2 PHE A 84 -6.049 -3.761 -3.245 1.00 1.24 C ATOM 1317 CE1 PHE A 84 -5.467 -2.483 -0.822 1.00 1.32 C ATOM 1318 CE2 PHE A 84 -5.228 -4.390 -2.301 1.00 1.29 C ATOM 1319 CZ PHE A 84 -4.937 -3.752 -1.090 1.00 0.57 C ATOM 1320 H PHE A 84 -8.470 -0.369 -5.798 1.00 0.37 H ATOM 1321 HA PHE A 84 -6.101 -0.205 -4.293 1.00 0.34 H ATOM 1322 HB2 PHE A 84 -8.210 -1.223 -3.483 1.00 0.42 H ATOM 1323 HB3 PHE A 84 -7.964 -2.573 -4.591 1.00 0.41 H ATOM 1324 HD1 PHE A 84 -6.698 -0.876 -1.560 1.00 2.19 H ATOM 1325 HD2 PHE A 84 -6.272 -4.254 -4.179 1.00 2.13 H ATOM 1326 HE1 PHE A 84 -5.243 -1.990 0.112 1.00 2.21 H ATOM 1327 HE2 PHE A 84 -4.820 -5.368 -2.507 1.00 2.19 H ATOM 1328 HZ PHE A 84 -4.304 -4.238 -0.362 1.00 0.68 H ATOM 1329 N ASP A 85 -6.095 -2.464 -6.694 1.00 0.41 N ATOM 1330 CA ASP A 85 -5.227 -3.317 -7.498 1.00 0.46 C ATOM 1331 C ASP A 85 -4.101 -2.506 -8.132 1.00 0.44 C ATOM 1332 O ASP A 85 -2.968 -2.976 -8.234 1.00 0.47 O ATOM 1333 CB ASP A 85 -6.043 -4.002 -8.595 1.00 0.55 C ATOM 1334 CG ASP A 85 -7.025 -4.990 -7.975 1.00 1.27 C ATOM 1335 OD1 ASP A 85 -6.883 -5.276 -6.798 1.00 1.90 O ATOM 1336 OD2 ASP A 85 -7.905 -5.446 -8.687 1.00 2.09 O ATOM 1337 H ASP A 85 -7.048 -2.405 -6.913 1.00 0.47 H ATOM 1338 HA ASP A 85 -4.796 -4.075 -6.862 1.00 0.51 H ATOM 1339 HB2 ASP A 85 -6.589 -3.256 -9.154 1.00 1.15 H ATOM 1340 HB3 ASP A 85 -5.376 -4.531 -9.260 1.00 1.12 H ATOM 1341 N ALA A 86 -4.419 -1.289 -8.562 1.00 0.43 N ATOM 1342 CA ALA A 86 -3.421 -0.431 -9.190 1.00 0.46 C ATOM 1343 C ALA A 86 -2.305 -0.088 -8.208 1.00 0.45 C ATOM 1344 O ALA A 86 -1.125 -0.131 -8.557 1.00 0.49 O ATOM 1345 CB ALA A 86 -4.078 0.858 -9.687 1.00 0.51 C ATOM 1346 H ALA A 86 -5.338 -0.964 -8.460 1.00 0.45 H ATOM 1347 HA ALA A 86 -2.995 -0.951 -10.035 1.00 0.51 H ATOM 1348 HB1 ALA A 86 -3.411 1.362 -10.370 1.00 0.99 H ATOM 1349 HB2 ALA A 86 -4.288 1.502 -8.846 1.00 1.16 H ATOM 1350 HB3 ALA A 86 -5.000 0.618 -10.196 1.00 1.25 H ATOM 1351 N VAL A 87 -2.684 0.253 -6.981 1.00 0.45 N ATOM 1352 CA VAL A 87 -1.701 0.600 -5.961 1.00 0.46 C ATOM 1353 C VAL A 87 -0.862 -0.618 -5.586 1.00 0.46 C ATOM 1354 O VAL A 87 0.361 -0.530 -5.465 1.00 0.54 O ATOM 1355 CB VAL A 87 -2.410 1.140 -4.717 1.00 0.49 C ATOM 1356 CG1 VAL A 87 -1.383 1.405 -3.614 1.00 0.54 C ATOM 1357 CG2 VAL A 87 -3.128 2.446 -5.067 1.00 0.51 C ATOM 1358 H VAL A 87 -3.638 0.271 -6.758 1.00 0.48 H ATOM 1359 HA VAL A 87 -1.049 1.368 -6.351 1.00 0.49 H ATOM 1360 HB VAL A 87 -3.130 0.413 -4.370 1.00 0.49 H ATOM 1361 HG11 VAL A 87 -0.547 1.953 -4.024 1.00 1.17 H ATOM 1362 HG12 VAL A 87 -1.035 0.465 -3.213 1.00 1.17 H ATOM 1363 HG13 VAL A 87 -1.841 1.985 -2.827 1.00 1.07 H ATOM 1364 HG21 VAL A 87 -3.664 2.324 -5.997 1.00 1.19 H ATOM 1365 HG22 VAL A 87 -2.402 3.239 -5.172 1.00 1.08 H ATOM 1366 HG23 VAL A 87 -3.823 2.697 -4.280 1.00 1.10 H ATOM 1367 N ALA A 88 -1.527 -1.753 -5.402 1.00 0.44 N ATOM 1368 CA ALA A 88 -0.833 -2.983 -5.038 1.00 0.46 C ATOM 1369 C ALA A 88 0.083 -3.440 -6.167 1.00 0.50 C ATOM 1370 O ALA A 88 1.198 -3.901 -5.925 1.00 0.60 O ATOM 1371 CB ALA A 88 -1.849 -4.083 -4.727 1.00 0.49 C ATOM 1372 H ALA A 88 -2.501 -1.764 -5.511 1.00 0.47 H ATOM 1373 HA ALA A 88 -0.238 -2.801 -4.156 1.00 0.46 H ATOM 1374 HB1 ALA A 88 -2.457 -4.269 -5.600 1.00 1.03 H ATOM 1375 HB2 ALA A 88 -2.481 -3.769 -3.909 1.00 1.08 H ATOM 1376 HB3 ALA A 88 -1.328 -4.988 -4.453 1.00 1.13 H ATOM 1377 N GLU A 89 -0.394 -3.311 -7.401 1.00 0.47 N ATOM 1378 CA GLU A 89 0.394 -3.718 -8.559 1.00 0.52 C ATOM 1379 C GLU A 89 1.694 -2.922 -8.627 1.00 0.53 C ATOM 1380 O GLU A 89 2.742 -3.458 -8.987 1.00 0.60 O ATOM 1381 CB GLU A 89 -0.414 -3.499 -9.841 1.00 0.55 C ATOM 1382 CG GLU A 89 0.339 -4.092 -11.035 1.00 1.26 C ATOM 1383 CD GLU A 89 -0.421 -3.804 -12.325 1.00 1.76 C ATOM 1384 OE1 GLU A 89 -1.452 -3.156 -12.249 1.00 2.53 O ATOM 1385 OE2 GLU A 89 0.038 -4.235 -13.369 1.00 2.17 O ATOM 1386 H GLU A 89 -1.290 -2.938 -7.535 1.00 0.45 H ATOM 1387 HA GLU A 89 0.630 -4.768 -8.470 1.00 0.55 H ATOM 1388 HB2 GLU A 89 -1.375 -3.983 -9.746 1.00 0.87 H ATOM 1389 HB3 GLU A 89 -0.558 -2.441 -9.999 1.00 0.92 H ATOM 1390 HG2 GLU A 89 1.324 -3.652 -11.095 1.00 1.99 H ATOM 1391 HG3 GLU A 89 0.431 -5.160 -10.906 1.00 1.80 H ATOM 1392 N ASP A 90 1.618 -1.642 -8.280 1.00 0.51 N ATOM 1393 CA ASP A 90 2.796 -0.784 -8.306 1.00 0.54 C ATOM 1394 C ASP A 90 3.869 -1.315 -7.361 1.00 0.55 C ATOM 1395 O ASP A 90 5.059 -1.283 -7.675 1.00 0.68 O ATOM 1396 CB ASP A 90 2.414 0.640 -7.899 1.00 0.53 C ATOM 1397 CG ASP A 90 1.506 1.259 -8.956 1.00 0.57 C ATOM 1398 OD1 ASP A 90 1.404 0.688 -10.029 1.00 1.16 O ATOM 1399 OD2 ASP A 90 0.925 2.295 -8.676 1.00 1.30 O ATOM 1400 H ASP A 90 0.756 -1.268 -8.001 1.00 0.51 H ATOM 1401 HA ASP A 90 3.193 -0.765 -9.310 1.00 0.59 H ATOM 1402 HB2 ASP A 90 1.897 0.614 -6.951 1.00 0.57 H ATOM 1403 HB3 ASP A 90 3.309 1.237 -7.803 1.00 0.54 H ATOM 1404 N LEU A 91 3.440 -1.800 -6.200 1.00 0.44 N ATOM 1405 CA LEU A 91 4.373 -2.332 -5.213 1.00 0.46 C ATOM 1406 C LEU A 91 5.152 -3.510 -5.792 1.00 0.49 C ATOM 1407 O LEU A 91 6.349 -3.650 -5.548 1.00 0.57 O ATOM 1408 CB LEU A 91 3.601 -2.784 -3.964 1.00 0.42 C ATOM 1409 CG LEU A 91 4.572 -3.219 -2.848 1.00 0.51 C ATOM 1410 CD1 LEU A 91 5.236 -1.994 -2.201 1.00 0.49 C ATOM 1411 CD2 LEU A 91 3.792 -3.992 -1.780 1.00 0.86 C ATOM 1412 H LEU A 91 2.479 -1.796 -6.002 1.00 0.39 H ATOM 1413 HA LEU A 91 5.066 -1.555 -4.936 1.00 0.50 H ATOM 1414 HB2 LEU A 91 2.987 -1.970 -3.612 1.00 0.43 H ATOM 1415 HB3 LEU A 91 2.966 -3.618 -4.225 1.00 0.41 H ATOM 1416 HG LEU A 91 5.337 -3.859 -3.260 1.00 0.77 H ATOM 1417 HD11 LEU A 91 6.027 -1.632 -2.839 1.00 1.13 H ATOM 1418 HD12 LEU A 91 5.652 -2.273 -1.243 1.00 1.10 H ATOM 1419 HD13 LEU A 91 4.504 -1.214 -2.056 1.00 1.16 H ATOM 1420 HD21 LEU A 91 3.437 -4.923 -2.197 1.00 1.39 H ATOM 1421 HD22 LEU A 91 2.950 -3.401 -1.450 1.00 1.33 H ATOM 1422 HD23 LEU A 91 4.439 -4.197 -0.939 1.00 1.38 H ATOM 1423 N LEU A 92 4.465 -4.359 -6.548 1.00 0.50 N ATOM 1424 CA LEU A 92 5.107 -5.528 -7.140 1.00 0.58 C ATOM 1425 C LEU A 92 6.246 -5.116 -8.067 1.00 0.65 C ATOM 1426 O LEU A 92 7.291 -5.762 -8.099 1.00 0.74 O ATOM 1427 CB LEU A 92 4.081 -6.342 -7.935 1.00 0.65 C ATOM 1428 CG LEU A 92 2.867 -6.670 -7.058 1.00 0.83 C ATOM 1429 CD1 LEU A 92 1.895 -7.545 -7.855 1.00 1.51 C ATOM 1430 CD2 LEU A 92 3.315 -7.421 -5.792 1.00 1.36 C ATOM 1431 H LEU A 92 3.510 -4.202 -6.703 1.00 0.50 H ATOM 1432 HA LEU A 92 5.509 -6.145 -6.353 1.00 0.58 H ATOM 1433 HB2 LEU A 92 3.759 -5.769 -8.793 1.00 0.89 H ATOM 1434 HB3 LEU A 92 4.538 -7.261 -8.271 1.00 0.91 H ATOM 1435 HG LEU A 92 2.372 -5.752 -6.777 1.00 1.44 H ATOM 1436 HD11 LEU A 92 2.346 -8.509 -8.039 1.00 2.16 H ATOM 1437 HD12 LEU A 92 1.670 -7.067 -8.796 1.00 2.11 H ATOM 1438 HD13 LEU A 92 0.983 -7.676 -7.290 1.00 1.76 H ATOM 1439 HD21 LEU A 92 4.111 -8.108 -6.039 1.00 1.93 H ATOM 1440 HD22 LEU A 92 2.480 -7.972 -5.381 1.00 1.84 H ATOM 1441 HD23 LEU A 92 3.667 -6.711 -5.059 1.00 1.87 H ATOM 1442 N ALA A 93 6.036 -4.045 -8.825 1.00 0.71 N ATOM 1443 CA ALA A 93 7.055 -3.572 -9.757 1.00 0.79 C ATOM 1444 C ALA A 93 8.314 -3.123 -9.017 1.00 0.75 C ATOM 1445 O ALA A 93 9.430 -3.346 -9.486 1.00 0.80 O ATOM 1446 CB ALA A 93 6.501 -2.410 -10.585 1.00 0.99 C ATOM 1447 H ALA A 93 5.181 -3.571 -8.764 1.00 0.75 H ATOM 1448 HA ALA A 93 7.315 -4.378 -10.426 1.00 0.80 H ATOM 1449 HB1 ALA A 93 5.813 -2.793 -11.325 1.00 1.45 H ATOM 1450 HB2 ALA A 93 7.313 -1.897 -11.081 1.00 1.47 H ATOM 1451 HB3 ALA A 93 5.982 -1.720 -9.936 1.00 1.43 H ATOM 1452 N THR A 94 8.130 -2.485 -7.867 1.00 0.75 N ATOM 1453 CA THR A 94 9.265 -2.006 -7.083 1.00 0.78 C ATOM 1454 C THR A 94 10.169 -3.162 -6.664 1.00 0.68 C ATOM 1455 O THR A 94 11.394 -3.049 -6.706 1.00 0.82 O ATOM 1456 CB THR A 94 8.764 -1.272 -5.837 1.00 0.82 C ATOM 1457 OG1 THR A 94 7.866 -0.242 -6.226 1.00 1.18 O ATOM 1458 CG2 THR A 94 9.951 -0.661 -5.091 1.00 1.02 C ATOM 1459 H THR A 94 7.219 -2.329 -7.542 1.00 0.80 H ATOM 1460 HA THR A 94 9.837 -1.316 -7.684 1.00 0.89 H ATOM 1461 HB THR A 94 8.256 -1.968 -5.188 1.00 0.94 H ATOM 1462 HG1 THR A 94 6.971 -0.552 -6.065 1.00 1.53 H ATOM 1463 HG21 THR A 94 10.588 -0.142 -5.792 1.00 1.54 H ATOM 1464 HG22 THR A 94 10.514 -1.445 -4.606 1.00 1.56 H ATOM 1465 HG23 THR A 94 9.590 0.035 -4.349 1.00 1.38 H ATOM 1466 N LEU A 95 9.559 -4.267 -6.253 1.00 0.51 N ATOM 1467 CA LEU A 95 10.320 -5.435 -5.820 1.00 0.48 C ATOM 1468 C LEU A 95 11.146 -6.008 -6.969 1.00 0.48 C ATOM 1469 O LEU A 95 12.267 -6.476 -6.765 1.00 0.56 O ATOM 1470 CB LEU A 95 9.365 -6.507 -5.289 1.00 0.44 C ATOM 1471 CG LEU A 95 8.487 -5.919 -4.176 1.00 0.50 C ATOM 1472 CD1 LEU A 95 7.515 -6.992 -3.678 1.00 0.50 C ATOM 1473 CD2 LEU A 95 9.365 -5.437 -3.008 1.00 0.61 C ATOM 1474 H LEU A 95 8.579 -4.298 -6.235 1.00 0.49 H ATOM 1475 HA LEU A 95 10.990 -5.142 -5.027 1.00 0.57 H ATOM 1476 HB2 LEU A 95 8.737 -6.858 -6.095 1.00 0.46 H ATOM 1477 HB3 LEU A 95 9.937 -7.333 -4.895 1.00 0.47 H ATOM 1478 HG LEU A 95 7.924 -5.086 -4.571 1.00 0.63 H ATOM 1479 HD11 LEU A 95 6.914 -7.345 -4.503 1.00 1.05 H ATOM 1480 HD12 LEU A 95 6.872 -6.571 -2.919 1.00 1.09 H ATOM 1481 HD13 LEU A 95 8.073 -7.817 -3.259 1.00 1.06 H ATOM 1482 HD21 LEU A 95 8.781 -5.412 -2.098 1.00 1.19 H ATOM 1483 HD22 LEU A 95 9.731 -4.443 -3.219 1.00 1.14 H ATOM 1484 HD23 LEU A 95 10.202 -6.108 -2.878 1.00 1.28 H ATOM 1485 N LYS A 96 10.588 -5.973 -8.175 1.00 0.48 N ATOM 1486 CA LYS A 96 11.289 -6.499 -9.343 1.00 0.52 C ATOM 1487 C LYS A 96 12.605 -5.760 -9.573 1.00 0.55 C ATOM 1488 O LYS A 96 13.608 -6.368 -9.949 1.00 0.61 O ATOM 1489 CB LYS A 96 10.408 -6.368 -10.588 1.00 0.60 C ATOM 1490 CG LYS A 96 9.193 -7.288 -10.456 1.00 1.08 C ATOM 1491 CD LYS A 96 8.363 -7.225 -11.739 1.00 1.39 C ATOM 1492 CE LYS A 96 7.079 -8.037 -11.558 1.00 1.40 C ATOM 1493 NZ LYS A 96 6.418 -8.224 -12.881 1.00 2.19 N ATOM 1494 H LYS A 96 9.692 -5.593 -8.281 1.00 0.50 H ATOM 1495 HA LYS A 96 11.500 -7.546 -9.179 1.00 0.55 H ATOM 1496 HB2 LYS A 96 10.077 -5.345 -10.687 1.00 1.14 H ATOM 1497 HB3 LYS A 96 10.976 -6.649 -11.462 1.00 1.16 H ATOM 1498 HG2 LYS A 96 9.527 -8.303 -10.292 1.00 1.69 H ATOM 1499 HG3 LYS A 96 8.589 -6.969 -9.623 1.00 1.78 H ATOM 1500 HD2 LYS A 96 8.111 -6.196 -11.955 1.00 2.12 H ATOM 1501 HD3 LYS A 96 8.933 -7.636 -12.558 1.00 1.75 H ATOM 1502 HE2 LYS A 96 7.320 -9.002 -11.137 1.00 1.71 H ATOM 1503 HE3 LYS A 96 6.411 -7.511 -10.892 1.00 1.65 H ATOM 1504 HZ1 LYS A 96 7.136 -8.219 -13.632 1.00 2.59 H ATOM 1505 HZ2 LYS A 96 5.742 -7.449 -13.041 1.00 2.65 H ATOM 1506 HZ3 LYS A 96 5.914 -9.133 -12.892 1.00 2.62 H ATOM 1507 N GLU A 97 12.597 -4.448 -9.352 1.00 0.67 N ATOM 1508 CA GLU A 97 13.801 -3.647 -9.549 1.00 0.76 C ATOM 1509 C GLU A 97 14.914 -4.112 -8.614 1.00 0.76 C ATOM 1510 O GLU A 97 16.071 -4.224 -9.018 1.00 0.80 O ATOM 1511 CB GLU A 97 13.492 -2.170 -9.287 1.00 0.91 C ATOM 1512 CG GLU A 97 14.701 -1.312 -9.667 1.00 1.44 C ATOM 1513 CD GLU A 97 14.430 0.149 -9.324 1.00 1.86 C ATOM 1514 OE1 GLU A 97 13.368 0.425 -8.792 1.00 2.59 O ATOM 1515 OE2 GLU A 97 15.290 0.971 -9.598 1.00 2.17 O ATOM 1516 H GLU A 97 11.770 -4.013 -9.058 1.00 0.78 H ATOM 1517 HA GLU A 97 14.133 -3.757 -10.570 1.00 0.79 H ATOM 1518 HB2 GLU A 97 12.638 -1.872 -9.878 1.00 1.23 H ATOM 1519 HB3 GLU A 97 13.269 -2.030 -8.239 1.00 1.48 H ATOM 1520 HG2 GLU A 97 15.570 -1.651 -9.122 1.00 2.06 H ATOM 1521 HG3 GLU A 97 14.885 -1.401 -10.727 1.00 1.97 H ATOM 1522 N MET A 98 14.554 -4.386 -7.365 1.00 0.77 N ATOM 1523 CA MET A 98 15.527 -4.844 -6.382 1.00 0.84 C ATOM 1524 C MET A 98 16.095 -6.206 -6.777 1.00 0.79 C ATOM 1525 O MET A 98 17.258 -6.504 -6.506 1.00 0.91 O ATOM 1526 CB MET A 98 14.879 -4.917 -4.999 1.00 0.90 C ATOM 1527 CG MET A 98 14.636 -3.499 -4.475 1.00 1.00 C ATOM 1528 SD MET A 98 13.998 -3.578 -2.783 1.00 1.44 S ATOM 1529 CE MET A 98 13.855 -1.794 -2.514 1.00 1.05 C ATOM 1530 H MET A 98 13.615 -4.282 -7.101 1.00 0.77 H ATOM 1531 HA MET A 98 16.339 -4.133 -6.345 1.00 0.95 H ATOM 1532 HB2 MET A 98 13.937 -5.434 -5.075 1.00 0.86 H ATOM 1533 HB3 MET A 98 15.531 -5.445 -4.319 1.00 1.02 H ATOM 1534 HG2 MET A 98 15.565 -2.948 -4.482 1.00 1.55 H ATOM 1535 HG3 MET A 98 13.917 -3.000 -5.108 1.00 1.35 H ATOM 1536 HE1 MET A 98 13.938 -1.582 -1.457 1.00 1.42 H ATOM 1537 HE2 MET A 98 12.899 -1.449 -2.874 1.00 1.42 H ATOM 1538 HE3 MET A 98 14.645 -1.285 -3.051 1.00 1.35 H ATOM 1539 N GLY A 99 15.271 -7.025 -7.433 1.00 0.66 N ATOM 1540 CA GLY A 99 15.707 -8.351 -7.878 1.00 0.68 C ATOM 1541 C GLY A 99 15.279 -9.452 -6.909 1.00 0.68 C ATOM 1542 O GLY A 99 15.822 -10.556 -6.942 1.00 0.77 O ATOM 1543 H GLY A 99 14.358 -6.729 -7.630 1.00 0.60 H ATOM 1544 HA2 GLY A 99 15.273 -8.552 -8.847 1.00 0.67 H ATOM 1545 HA3 GLY A 99 16.784 -8.365 -7.970 1.00 0.76 H ATOM 1546 N VAL A 100 14.301 -9.160 -6.057 1.00 0.60 N ATOM 1547 CA VAL A 100 13.821 -10.159 -5.104 1.00 0.63 C ATOM 1548 C VAL A 100 13.287 -11.377 -5.874 1.00 0.65 C ATOM 1549 O VAL A 100 12.584 -11.202 -6.870 1.00 0.62 O ATOM 1550 CB VAL A 100 12.700 -9.552 -4.246 1.00 0.57 C ATOM 1551 CG1 VAL A 100 12.235 -10.545 -3.175 1.00 0.64 C ATOM 1552 CG2 VAL A 100 13.219 -8.289 -3.561 1.00 0.60 C ATOM 1553 H VAL A 100 13.892 -8.269 -6.073 1.00 0.56 H ATOM 1554 HA VAL A 100 14.642 -10.445 -4.470 1.00 0.71 H ATOM 1555 HB VAL A 100 11.864 -9.296 -4.881 1.00 0.51 H ATOM 1556 HG11 VAL A 100 11.341 -10.166 -2.703 1.00 1.25 H ATOM 1557 HG12 VAL A 100 13.008 -10.661 -2.431 1.00 1.27 H ATOM 1558 HG13 VAL A 100 12.021 -11.500 -3.630 1.00 1.04 H ATOM 1559 HG21 VAL A 100 12.523 -7.980 -2.795 1.00 1.10 H ATOM 1560 HG22 VAL A 100 13.320 -7.505 -4.291 1.00 1.24 H ATOM 1561 HG23 VAL A 100 14.181 -8.491 -3.113 1.00 1.23 H ATOM 1562 N PRO A 101 13.587 -12.599 -5.469 1.00 0.76 N ATOM 1563 CA PRO A 101 13.086 -13.794 -6.203 1.00 0.84 C ATOM 1564 C PRO A 101 11.587 -13.680 -6.492 1.00 0.77 C ATOM 1565 O PRO A 101 10.827 -13.140 -5.688 1.00 0.79 O ATOM 1566 CB PRO A 101 13.406 -15.001 -5.288 1.00 0.98 C ATOM 1567 CG PRO A 101 14.079 -14.453 -4.052 1.00 0.98 C ATOM 1568 CD PRO A 101 14.418 -12.977 -4.310 1.00 0.86 C ATOM 1569 HA PRO A 101 13.624 -13.894 -7.135 1.00 0.89 H ATOM 1570 HB2 PRO A 101 12.493 -15.524 -5.019 1.00 0.99 H ATOM 1571 HB3 PRO A 101 14.074 -15.685 -5.798 1.00 1.08 H ATOM 1572 HG2 PRO A 101 13.411 -14.534 -3.201 1.00 1.00 H ATOM 1573 HG3 PRO A 101 14.989 -15.001 -3.846 1.00 1.10 H ATOM 1574 HD2 PRO A 101 14.165 -12.385 -3.444 1.00 0.85 H ATOM 1575 HD3 PRO A 101 15.465 -12.861 -4.552 1.00 0.88 H ATOM 1576 N GLU A 102 11.178 -14.180 -7.653 1.00 0.81 N ATOM 1577 CA GLU A 102 9.777 -14.120 -8.055 1.00 0.78 C ATOM 1578 C GLU A 102 8.887 -14.889 -7.085 1.00 0.77 C ATOM 1579 O GLU A 102 7.730 -14.524 -6.872 1.00 0.72 O ATOM 1580 CB GLU A 102 9.617 -14.701 -9.461 1.00 0.91 C ATOM 1581 CG GLU A 102 10.375 -13.829 -10.464 1.00 1.49 C ATOM 1582 CD GLU A 102 10.168 -14.361 -11.878 1.00 2.31 C ATOM 1583 OE1 GLU A 102 9.613 -15.440 -12.009 1.00 2.83 O ATOM 1584 OE2 GLU A 102 10.567 -13.682 -12.810 1.00 3.02 O ATOM 1585 H GLU A 102 11.834 -14.588 -8.257 1.00 0.92 H ATOM 1586 HA GLU A 102 9.465 -13.089 -8.071 1.00 0.71 H ATOM 1587 HB2 GLU A 102 10.016 -15.705 -9.483 1.00 1.48 H ATOM 1588 HB3 GLU A 102 8.571 -14.723 -9.725 1.00 1.46 H ATOM 1589 HG2 GLU A 102 10.008 -12.815 -10.405 1.00 1.96 H ATOM 1590 HG3 GLU A 102 11.428 -13.843 -10.228 1.00 2.08 H ATOM 1591 N ASP A 103 9.421 -15.959 -6.508 1.00 0.91 N ATOM 1592 CA ASP A 103 8.648 -16.770 -5.575 1.00 0.93 C ATOM 1593 C ASP A 103 8.123 -15.927 -4.415 1.00 0.80 C ATOM 1594 O ASP A 103 6.973 -16.078 -4.002 1.00 0.76 O ATOM 1595 CB ASP A 103 9.518 -17.903 -5.028 1.00 1.08 C ATOM 1596 CG ASP A 103 9.852 -18.889 -6.142 1.00 1.71 C ATOM 1597 OD1 ASP A 103 9.238 -18.796 -7.192 1.00 2.22 O ATOM 1598 OD2 ASP A 103 10.718 -19.722 -5.929 1.00 2.50 O ATOM 1599 H ASP A 103 10.344 -16.211 -6.719 1.00 1.04 H ATOM 1600 HA ASP A 103 7.809 -17.201 -6.100 1.00 0.97 H ATOM 1601 HB2 ASP A 103 10.432 -17.491 -4.627 1.00 1.40 H ATOM 1602 HB3 ASP A 103 8.983 -18.419 -4.244 1.00 1.54 H ATOM 1603 N LEU A 104 8.967 -15.044 -3.891 1.00 0.79 N ATOM 1604 CA LEU A 104 8.562 -14.193 -2.776 1.00 0.72 C ATOM 1605 C LEU A 104 7.526 -13.163 -3.214 1.00 0.58 C ATOM 1606 O LEU A 104 6.600 -12.851 -2.466 1.00 0.55 O ATOM 1607 CB LEU A 104 9.778 -13.466 -2.192 1.00 0.77 C ATOM 1608 CG LEU A 104 10.851 -14.475 -1.762 1.00 0.84 C ATOM 1609 CD1 LEU A 104 12.023 -13.713 -1.136 1.00 1.40 C ATOM 1610 CD2 LEU A 104 10.275 -15.464 -0.732 1.00 1.29 C ATOM 1611 H LEU A 104 9.873 -14.965 -4.255 1.00 0.87 H ATOM 1612 HA LEU A 104 8.124 -14.809 -2.008 1.00 0.76 H ATOM 1613 HB2 LEU A 104 10.189 -12.803 -2.939 1.00 0.89 H ATOM 1614 HB3 LEU A 104 9.469 -12.888 -1.333 1.00 0.82 H ATOM 1615 HG LEU A 104 11.198 -15.017 -2.630 1.00 1.20 H ATOM 1616 HD11 LEU A 104 12.363 -12.951 -1.821 1.00 1.91 H ATOM 1617 HD12 LEU A 104 12.830 -14.400 -0.930 1.00 1.84 H ATOM 1618 HD13 LEU A 104 11.700 -13.251 -0.215 1.00 1.88 H ATOM 1619 HD21 LEU A 104 11.078 -15.885 -0.142 1.00 1.75 H ATOM 1620 HD22 LEU A 104 9.761 -16.261 -1.248 1.00 1.85 H ATOM 1621 HD23 LEU A 104 9.583 -14.950 -0.081 1.00 1.75 H ATOM 1622 N ILE A 105 7.682 -12.630 -4.422 1.00 0.54 N ATOM 1623 CA ILE A 105 6.742 -11.630 -4.915 1.00 0.46 C ATOM 1624 C ILE A 105 5.315 -12.158 -4.824 1.00 0.49 C ATOM 1625 O ILE A 105 4.401 -11.434 -4.428 1.00 0.52 O ATOM 1626 CB ILE A 105 7.074 -11.254 -6.364 1.00 0.51 C ATOM 1627 CG1 ILE A 105 8.501 -10.686 -6.419 1.00 0.51 C ATOM 1628 CG2 ILE A 105 6.081 -10.195 -6.859 1.00 0.53 C ATOM 1629 CD1 ILE A 105 8.894 -10.356 -7.866 1.00 0.81 C ATOM 1630 H ILE A 105 8.438 -12.906 -4.981 1.00 0.59 H ATOM 1631 HA ILE A 105 6.824 -10.746 -4.301 1.00 0.42 H ATOM 1632 HB ILE A 105 7.008 -12.132 -6.990 1.00 0.60 H ATOM 1633 HG12 ILE A 105 8.550 -9.787 -5.822 1.00 0.80 H ATOM 1634 HG13 ILE A 105 9.190 -11.416 -6.021 1.00 0.92 H ATOM 1635 HG21 ILE A 105 5.087 -10.615 -6.888 1.00 1.18 H ATOM 1636 HG22 ILE A 105 6.359 -9.871 -7.851 1.00 1.08 H ATOM 1637 HG23 ILE A 105 6.094 -9.349 -6.189 1.00 1.18 H ATOM 1638 HD11 ILE A 105 8.427 -11.055 -8.544 1.00 1.33 H ATOM 1639 HD12 ILE A 105 9.968 -10.420 -7.970 1.00 1.38 H ATOM 1640 HD13 ILE A 105 8.571 -9.353 -8.105 1.00 1.42 H ATOM 1641 N ALA A 106 5.128 -13.422 -5.186 1.00 0.58 N ATOM 1642 CA ALA A 106 3.805 -14.028 -5.129 1.00 0.66 C ATOM 1643 C ALA A 106 3.339 -14.163 -3.682 1.00 0.60 C ATOM 1644 O ALA A 106 2.181 -13.891 -3.365 1.00 0.64 O ATOM 1645 CB ALA A 106 3.833 -15.408 -5.788 1.00 0.81 C ATOM 1646 H ALA A 106 5.892 -13.956 -5.489 1.00 0.64 H ATOM 1647 HA ALA A 106 3.108 -13.401 -5.665 1.00 0.69 H ATOM 1648 HB1 ALA A 106 4.045 -15.299 -6.842 1.00 1.29 H ATOM 1649 HB2 ALA A 106 2.874 -15.888 -5.661 1.00 1.39 H ATOM 1650 HB3 ALA A 106 4.602 -16.011 -5.328 1.00 1.29 H ATOM 1651 N GLU A 107 4.248 -14.587 -2.808 1.00 0.60 N ATOM 1652 CA GLU A 107 3.919 -14.757 -1.396 1.00 0.61 C ATOM 1653 C GLU A 107 3.638 -13.412 -0.733 1.00 0.54 C ATOM 1654 O GLU A 107 2.733 -13.294 0.095 1.00 0.63 O ATOM 1655 CB GLU A 107 5.074 -15.451 -0.672 1.00 0.75 C ATOM 1656 CG GLU A 107 5.244 -16.869 -1.222 1.00 1.12 C ATOM 1657 CD GLU A 107 6.351 -17.593 -0.464 1.00 1.74 C ATOM 1658 OE1 GLU A 107 7.035 -16.943 0.310 1.00 2.34 O ATOM 1659 OE2 GLU A 107 6.498 -18.787 -0.667 1.00 2.50 O ATOM 1660 H GLU A 107 5.155 -14.790 -3.118 1.00 0.65 H ATOM 1661 HA GLU A 107 3.038 -15.376 -1.316 1.00 0.65 H ATOM 1662 HB2 GLU A 107 5.985 -14.891 -0.829 1.00 1.02 H ATOM 1663 HB3 GLU A 107 4.859 -15.501 0.384 1.00 1.09 H ATOM 1664 HG2 GLU A 107 4.317 -17.411 -1.108 1.00 1.66 H ATOM 1665 HG3 GLU A 107 5.503 -16.818 -2.270 1.00 1.76 H ATOM 1666 N VAL A 108 4.417 -12.399 -1.099 1.00 0.48 N ATOM 1667 CA VAL A 108 4.238 -11.069 -0.528 1.00 0.49 C ATOM 1668 C VAL A 108 2.861 -10.516 -0.890 1.00 0.52 C ATOM 1669 O VAL A 108 2.185 -9.915 -0.056 1.00 0.70 O ATOM 1670 CB VAL A 108 5.337 -10.128 -1.039 1.00 0.48 C ATOM 1671 CG1 VAL A 108 5.032 -8.688 -0.610 1.00 0.54 C ATOM 1672 CG2 VAL A 108 6.691 -10.555 -0.455 1.00 0.56 C ATOM 1673 H VAL A 108 5.123 -12.548 -1.763 1.00 0.51 H ATOM 1674 HA VAL A 108 4.313 -11.138 0.547 1.00 0.58 H ATOM 1675 HB VAL A 108 5.378 -10.179 -2.118 1.00 0.44 H ATOM 1676 HG11 VAL A 108 5.908 -8.075 -0.762 1.00 1.22 H ATOM 1677 HG12 VAL A 108 4.759 -8.674 0.434 1.00 1.14 H ATOM 1678 HG13 VAL A 108 4.215 -8.302 -1.201 1.00 1.07 H ATOM 1679 HG21 VAL A 108 6.770 -10.214 0.567 1.00 1.27 H ATOM 1680 HG22 VAL A 108 7.489 -10.121 -1.040 1.00 1.02 H ATOM 1681 HG23 VAL A 108 6.774 -11.632 -0.480 1.00 1.14 H ATOM 1682 N ALA A 109 2.452 -10.727 -2.136 1.00 0.48 N ATOM 1683 CA ALA A 109 1.152 -10.248 -2.592 1.00 0.62 C ATOM 1684 C ALA A 109 0.026 -10.976 -1.863 1.00 0.65 C ATOM 1685 O ALA A 109 -1.037 -10.406 -1.614 1.00 0.80 O ATOM 1686 CB ALA A 109 1.014 -10.472 -4.100 1.00 0.74 C ATOM 1687 H ALA A 109 3.032 -11.214 -2.757 1.00 0.46 H ATOM 1688 HA ALA A 109 1.076 -9.191 -2.389 1.00 0.74 H ATOM 1689 HB1 ALA A 109 0.848 -11.521 -4.294 1.00 1.24 H ATOM 1690 HB2 ALA A 109 1.920 -10.153 -4.595 1.00 1.38 H ATOM 1691 HB3 ALA A 109 0.178 -9.900 -4.474 1.00 1.19 H ATOM 1692 N ALA A 110 0.266 -12.240 -1.531 1.00 0.62 N ATOM 1693 CA ALA A 110 -0.733 -13.046 -0.837 1.00 0.68 C ATOM 1694 C ALA A 110 -1.040 -12.472 0.544 1.00 0.66 C ATOM 1695 O ALA A 110 -2.156 -12.607 1.046 1.00 0.91 O ATOM 1696 CB ALA A 110 -0.232 -14.484 -0.692 1.00 0.72 C ATOM 1697 H ALA A 110 1.131 -12.641 -1.760 1.00 0.64 H ATOM 1698 HA ALA A 110 -1.641 -13.053 -1.421 1.00 0.78 H ATOM 1699 HB1 ALA A 110 -0.102 -14.920 -1.671 1.00 1.29 H ATOM 1700 HB2 ALA A 110 -0.954 -15.062 -0.133 1.00 1.27 H ATOM 1701 HB3 ALA A 110 0.712 -14.485 -0.168 1.00 1.14 H ATOM 1702 N VAL A 111 -0.045 -11.841 1.158 1.00 0.55 N ATOM 1703 CA VAL A 111 -0.229 -11.264 2.486 1.00 0.55 C ATOM 1704 C VAL A 111 -1.381 -10.260 2.480 1.00 0.62 C ATOM 1705 O VAL A 111 -2.269 -10.317 3.331 1.00 0.73 O ATOM 1706 CB VAL A 111 1.064 -10.570 2.927 1.00 0.57 C ATOM 1707 CG1 VAL A 111 0.831 -9.790 4.225 1.00 0.63 C ATOM 1708 CG2 VAL A 111 2.150 -11.624 3.159 1.00 0.66 C ATOM 1709 H VAL A 111 0.827 -11.768 0.716 1.00 0.64 H ATOM 1710 HA VAL A 111 -0.457 -12.055 3.185 1.00 0.62 H ATOM 1711 HB VAL A 111 1.384 -9.889 2.154 1.00 0.60 H ATOM 1712 HG11 VAL A 111 1.782 -9.494 4.641 1.00 1.18 H ATOM 1713 HG12 VAL A 111 0.307 -10.415 4.933 1.00 1.16 H ATOM 1714 HG13 VAL A 111 0.242 -8.910 4.016 1.00 1.24 H ATOM 1715 HG21 VAL A 111 2.325 -12.167 2.242 1.00 1.33 H ATOM 1716 HG22 VAL A 111 1.828 -12.310 3.928 1.00 1.31 H ATOM 1717 HG23 VAL A 111 3.063 -11.138 3.469 1.00 1.02 H ATOM 1718 N ALA A 112 -1.364 -9.345 1.513 1.00 0.66 N ATOM 1719 CA ALA A 112 -2.417 -8.335 1.400 1.00 0.81 C ATOM 1720 C ALA A 112 -3.517 -8.812 0.456 1.00 0.79 C ATOM 1721 O ALA A 112 -4.649 -8.332 0.511 1.00 0.86 O ATOM 1722 CB ALA A 112 -1.823 -7.023 0.880 1.00 1.10 C ATOM 1723 H ALA A 112 -0.633 -9.351 0.860 1.00 0.65 H ATOM 1724 HA ALA A 112 -2.847 -8.156 2.375 1.00 0.86 H ATOM 1725 HB1 ALA A 112 -2.615 -6.381 0.524 1.00 1.57 H ATOM 1726 HB2 ALA A 112 -1.138 -7.233 0.072 1.00 1.45 H ATOM 1727 HB3 ALA A 112 -1.294 -6.528 1.681 1.00 1.62 H ATOM 1728 N GLY A 113 -3.171 -9.755 -0.413 1.00 0.80 N ATOM 1729 CA GLY A 113 -4.129 -10.291 -1.372 1.00 0.91 C ATOM 1730 C GLY A 113 -5.365 -10.846 -0.672 1.00 0.80 C ATOM 1731 O GLY A 113 -6.450 -10.886 -1.250 1.00 0.95 O ATOM 1732 H GLY A 113 -2.251 -10.095 -0.411 1.00 0.80 H ATOM 1733 HA2 GLY A 113 -4.428 -9.502 -2.048 1.00 1.01 H ATOM 1734 HA3 GLY A 113 -3.660 -11.082 -1.937 1.00 1.11 H ATOM 1735 N ALA A 114 -5.193 -11.280 0.572 1.00 0.75 N ATOM 1736 CA ALA A 114 -6.305 -11.839 1.332 1.00 0.89 C ATOM 1737 C ALA A 114 -7.520 -10.894 1.279 1.00 0.83 C ATOM 1738 O ALA A 114 -7.406 -9.735 1.675 1.00 0.81 O ATOM 1739 CB ALA A 114 -5.882 -12.031 2.790 1.00 1.13 C ATOM 1740 H ALA A 114 -4.304 -11.230 0.983 1.00 0.79 H ATOM 1741 HA ALA A 114 -6.552 -12.798 0.918 1.00 1.12 H ATOM 1742 HB1 ALA A 114 -5.846 -11.071 3.284 1.00 1.72 H ATOM 1743 HB2 ALA A 114 -4.906 -12.491 2.824 1.00 1.52 H ATOM 1744 HB3 ALA A 114 -6.597 -12.667 3.292 1.00 1.38 H ATOM 1745 N PRO A 115 -8.675 -11.338 0.809 1.00 0.97 N ATOM 1746 CA PRO A 115 -9.872 -10.452 0.744 1.00 1.13 C ATOM 1747 C PRO A 115 -10.243 -9.906 2.126 1.00 1.12 C ATOM 1748 O PRO A 115 -10.992 -8.936 2.240 1.00 1.23 O ATOM 1749 CB PRO A 115 -11.008 -11.323 0.157 1.00 1.52 C ATOM 1750 CG PRO A 115 -10.437 -12.697 -0.103 1.00 1.55 C ATOM 1751 CD PRO A 115 -8.951 -12.696 0.302 1.00 1.15 C ATOM 1752 HA PRO A 115 -9.669 -9.627 0.077 1.00 1.18 H ATOM 1753 HB2 PRO A 115 -11.834 -11.387 0.859 1.00 1.66 H ATOM 1754 HB3 PRO A 115 -11.363 -10.891 -0.772 1.00 1.73 H ATOM 1755 HG2 PRO A 115 -10.977 -13.437 0.481 1.00 1.76 H ATOM 1756 HG3 PRO A 115 -10.524 -12.943 -1.154 1.00 1.86 H ATOM 1757 HD2 PRO A 115 -8.772 -13.428 1.079 1.00 1.21 H ATOM 1758 HD3 PRO A 115 -8.327 -12.902 -0.557 1.00 1.28 H ATOM 1759 N ALA A 116 -9.718 -10.541 3.168 1.00 1.24 N ATOM 1760 CA ALA A 116 -10.006 -10.116 4.533 1.00 1.48 C ATOM 1761 C ALA A 116 -9.586 -8.665 4.748 1.00 1.32 C ATOM 1762 O ALA A 116 -10.179 -7.953 5.558 1.00 1.62 O ATOM 1763 CB ALA A 116 -9.268 -11.016 5.526 1.00 1.78 C ATOM 1764 H ALA A 116 -9.131 -11.311 3.017 1.00 1.31 H ATOM 1765 HA ALA A 116 -11.068 -10.203 4.709 1.00 1.71 H ATOM 1766 HB1 ALA A 116 -9.432 -12.051 5.263 1.00 1.97 H ATOM 1767 HB2 ALA A 116 -9.642 -10.835 6.523 1.00 2.33 H ATOM 1768 HB3 ALA A 116 -8.211 -10.799 5.492 1.00 2.00 H ATOM 1769 N HIS A 117 -8.558 -8.233 4.022 1.00 1.04 N ATOM 1770 CA HIS A 117 -8.069 -6.861 4.145 1.00 1.11 C ATOM 1771 C HIS A 117 -8.810 -5.933 3.184 1.00 1.02 C ATOM 1772 O HIS A 117 -9.107 -4.786 3.516 1.00 1.21 O ATOM 1773 CB HIS A 117 -6.573 -6.814 3.828 1.00 1.26 C ATOM 1774 CG HIS A 117 -5.852 -7.862 4.630 1.00 1.82 C ATOM 1775 ND1 HIS A 117 -4.513 -8.160 4.422 1.00 2.63 N ATOM 1776 CD2 HIS A 117 -6.268 -8.693 5.639 1.00 2.45 C ATOM 1777 CE1 HIS A 117 -4.174 -9.134 5.288 1.00 3.33 C ATOM 1778 NE2 HIS A 117 -5.243 -9.460 6.030 1.00 3.20 N ATOM 1779 H HIS A 117 -8.121 -8.846 3.395 1.00 0.98 H ATOM 1780 HA HIS A 117 -8.221 -6.514 5.157 1.00 1.27 H ATOM 1781 HB2 HIS A 117 -6.423 -7.001 2.774 1.00 1.49 H ATOM 1782 HB3 HIS A 117 -6.183 -5.839 4.079 1.00 1.51 H ATOM 1783 HD1 HIS A 117 -3.920 -7.737 3.766 1.00 2.96 H ATOM 1784 HD2 HIS A 117 -7.263 -8.729 6.058 1.00 2.75 H ATOM 1785 HE1 HIS A 117 -3.195 -9.582 5.372 1.00 4.16 H ATOM 1786 HE2 HIS A 117 -5.268 -10.139 6.736 1.00 3.82 H ATOM 1787 N LYS A 118 -9.089 -6.437 1.985 1.00 0.88 N ATOM 1788 CA LYS A 118 -9.777 -5.648 0.966 1.00 0.94 C ATOM 1789 C LYS A 118 -11.174 -5.226 1.419 1.00 0.89 C ATOM 1790 O LYS A 118 -11.607 -4.107 1.145 1.00 0.98 O ATOM 1791 CB LYS A 118 -9.890 -6.461 -0.325 1.00 1.09 C ATOM 1792 CG LYS A 118 -8.489 -6.726 -0.885 1.00 1.17 C ATOM 1793 CD LYS A 118 -8.574 -7.655 -2.107 1.00 1.49 C ATOM 1794 CE LYS A 118 -9.005 -6.867 -3.351 1.00 1.23 C ATOM 1795 NZ LYS A 118 -8.091 -5.707 -3.555 1.00 1.98 N ATOM 1796 H LYS A 118 -8.815 -7.354 1.776 1.00 0.87 H ATOM 1797 HA LYS A 118 -9.196 -4.762 0.763 1.00 1.05 H ATOM 1798 HB2 LYS A 118 -10.381 -7.400 -0.116 1.00 1.12 H ATOM 1799 HB3 LYS A 118 -10.467 -5.904 -1.046 1.00 1.27 H ATOM 1800 HG2 LYS A 118 -8.035 -5.789 -1.173 1.00 1.48 H ATOM 1801 HG3 LYS A 118 -7.884 -7.195 -0.124 1.00 1.32 H ATOM 1802 HD2 LYS A 118 -7.605 -8.098 -2.284 1.00 2.21 H ATOM 1803 HD3 LYS A 118 -9.293 -8.437 -1.914 1.00 2.04 H ATOM 1804 HE2 LYS A 118 -8.959 -7.513 -4.215 1.00 1.54 H ATOM 1805 HE3 LYS A 118 -10.016 -6.513 -3.225 1.00 1.44 H ATOM 1806 HZ1 LYS A 118 -7.197 -5.877 -3.054 1.00 2.28 H ATOM 1807 HZ2 LYS A 118 -8.539 -4.844 -3.184 1.00 2.44 H ATOM 1808 HZ3 LYS A 118 -7.900 -5.591 -4.570 1.00 2.53 H ATOM 1809 N ARG A 119 -11.883 -6.124 2.094 1.00 0.89 N ATOM 1810 CA ARG A 119 -13.236 -5.818 2.549 1.00 0.93 C ATOM 1811 C ARG A 119 -13.246 -4.617 3.492 1.00 0.88 C ATOM 1812 O ARG A 119 -14.093 -3.735 3.369 1.00 1.04 O ATOM 1813 CB ARG A 119 -13.847 -7.036 3.248 1.00 1.04 C ATOM 1814 CG ARG A 119 -12.961 -7.457 4.419 1.00 1.91 C ATOM 1815 CD ARG A 119 -13.423 -8.816 4.947 1.00 2.45 C ATOM 1816 NE ARG A 119 -14.826 -8.752 5.342 1.00 2.96 N ATOM 1817 CZ ARG A 119 -15.190 -8.208 6.499 1.00 3.49 C ATOM 1818 NH1 ARG A 119 -14.286 -7.714 7.301 1.00 3.69 N ATOM 1819 NH2 ARG A 119 -16.451 -8.166 6.832 1.00 4.29 N ATOM 1820 H ARG A 119 -11.499 -7.007 2.276 1.00 0.97 H ATOM 1821 HA ARG A 119 -13.841 -5.580 1.687 1.00 1.00 H ATOM 1822 HB2 ARG A 119 -14.831 -6.782 3.614 1.00 1.31 H ATOM 1823 HB3 ARG A 119 -13.924 -7.852 2.545 1.00 1.34 H ATOM 1824 HG2 ARG A 119 -11.937 -7.529 4.083 1.00 2.48 H ATOM 1825 HG3 ARG A 119 -13.032 -6.725 5.208 1.00 2.46 H ATOM 1826 HD2 ARG A 119 -13.305 -9.559 4.174 1.00 2.91 H ATOM 1827 HD3 ARG A 119 -12.821 -9.090 5.801 1.00 2.81 H ATOM 1828 HE ARG A 119 -15.511 -9.118 4.745 1.00 3.35 H ATOM 1829 HH11 ARG A 119 -13.320 -7.746 7.045 1.00 3.47 H ATOM 1830 HH12 ARG A 119 -14.560 -7.304 8.171 1.00 4.38 H ATOM 1831 HH21 ARG A 119 -17.143 -8.544 6.218 1.00 4.57 H ATOM 1832 HH22 ARG A 119 -16.725 -7.757 7.702 1.00 4.84 H ATOM 1833 N ASP A 120 -12.308 -4.581 4.432 1.00 0.81 N ATOM 1834 CA ASP A 120 -12.242 -3.471 5.378 1.00 0.85 C ATOM 1835 C ASP A 120 -12.008 -2.155 4.645 1.00 0.77 C ATOM 1836 O ASP A 120 -12.610 -1.133 4.973 1.00 0.90 O ATOM 1837 CB ASP A 120 -11.111 -3.707 6.381 1.00 0.99 C ATOM 1838 CG ASP A 120 -11.439 -4.904 7.266 1.00 1.58 C ATOM 1839 OD1 ASP A 120 -12.579 -5.340 7.241 1.00 2.03 O ATOM 1840 OD2 ASP A 120 -10.547 -5.368 7.957 1.00 2.39 O ATOM 1841 H ASP A 120 -11.653 -5.308 4.491 1.00 0.86 H ATOM 1842 HA ASP A 120 -13.177 -3.411 5.916 1.00 0.91 H ATOM 1843 HB2 ASP A 120 -10.192 -3.897 5.846 1.00 1.33 H ATOM 1844 HB3 ASP A 120 -10.991 -2.829 6.998 1.00 1.37 H ATOM 1845 N VAL A 121 -11.128 -2.190 3.652 1.00 0.67 N ATOM 1846 CA VAL A 121 -10.816 -0.996 2.876 1.00 0.64 C ATOM 1847 C VAL A 121 -11.953 -0.658 1.910 1.00 0.62 C ATOM 1848 O VAL A 121 -12.482 0.454 1.924 1.00 0.66 O ATOM 1849 CB VAL A 121 -9.509 -1.228 2.103 1.00 0.68 C ATOM 1850 CG1 VAL A 121 -9.321 -0.153 1.028 1.00 0.68 C ATOM 1851 CG2 VAL A 121 -8.331 -1.175 3.082 1.00 0.80 C ATOM 1852 H VAL A 121 -10.679 -3.033 3.438 1.00 0.72 H ATOM 1853 HA VAL A 121 -10.678 -0.166 3.553 1.00 0.68 H ATOM 1854 HB VAL A 121 -9.540 -2.200 1.633 1.00 0.71 H ATOM 1855 HG11 VAL A 121 -8.303 -0.178 0.667 1.00 1.11 H ATOM 1856 HG12 VAL A 121 -9.532 0.819 1.448 1.00 1.25 H ATOM 1857 HG13 VAL A 121 -9.997 -0.345 0.207 1.00 1.30 H ATOM 1858 HG21 VAL A 121 -8.509 -1.863 3.896 1.00 1.50 H ATOM 1859 HG22 VAL A 121 -8.233 -0.173 3.473 1.00 1.18 H ATOM 1860 HG23 VAL A 121 -7.422 -1.452 2.569 1.00 1.25 H ATOM 1861 N LEU A 122 -12.312 -1.619 1.068 1.00 0.63 N ATOM 1862 CA LEU A 122 -13.374 -1.410 0.089 1.00 0.69 C ATOM 1863 C LEU A 122 -14.739 -1.301 0.762 1.00 0.82 C ATOM 1864 O LEU A 122 -15.589 -0.524 0.329 1.00 1.43 O ATOM 1865 CB LEU A 122 -13.372 -2.559 -0.919 1.00 0.74 C ATOM 1866 CG LEU A 122 -11.986 -2.661 -1.571 1.00 0.79 C ATOM 1867 CD1 LEU A 122 -11.953 -3.877 -2.498 1.00 1.09 C ATOM 1868 CD2 LEU A 122 -11.685 -1.386 -2.383 1.00 1.28 C ATOM 1869 H LEU A 122 -11.848 -2.482 1.097 1.00 0.64 H ATOM 1870 HA LEU A 122 -13.183 -0.489 -0.438 1.00 0.67 H ATOM 1871 HB2 LEU A 122 -13.602 -3.484 -0.410 1.00 0.78 H ATOM 1872 HB3 LEU A 122 -14.113 -2.371 -1.680 1.00 0.85 H ATOM 1873 HG LEU A 122 -11.238 -2.782 -0.800 1.00 1.43 H ATOM 1874 HD11 LEU A 122 -12.595 -3.699 -3.347 1.00 1.78 H ATOM 1875 HD12 LEU A 122 -12.297 -4.748 -1.960 1.00 1.44 H ATOM 1876 HD13 LEU A 122 -10.941 -4.040 -2.838 1.00 1.61 H ATOM 1877 HD21 LEU A 122 -10.958 -1.606 -3.151 1.00 1.83 H ATOM 1878 HD22 LEU A 122 -11.285 -0.628 -1.728 1.00 1.70 H ATOM 1879 HD23 LEU A 122 -12.593 -1.022 -2.843 1.00 1.87 H ATOM 1880 N ASN A 123 -14.949 -2.073 1.823 1.00 0.77 N ATOM 1881 CA ASN A 123 -16.222 -2.030 2.535 1.00 0.81 C ATOM 1882 C ASN A 123 -17.385 -2.278 1.580 1.00 1.05 C ATOM 1883 O ASN A 123 -18.398 -1.580 1.625 1.00 1.41 O ATOM 1884 CB ASN A 123 -16.384 -0.666 3.208 1.00 0.76 C ATOM 1885 CG ASN A 123 -15.239 -0.441 4.190 1.00 0.79 C ATOM 1886 OD1 ASN A 123 -14.969 -1.297 5.033 1.00 1.20 O ATOM 1887 ND2 ASN A 123 -14.539 0.658 4.125 1.00 0.80 N ATOM 1888 H ASN A 123 -14.240 -2.674 2.133 1.00 1.14 H ATOM 1889 HA ASN A 123 -16.227 -2.794 3.296 1.00 0.89 H ATOM 1890 HB2 ASN A 123 -16.371 0.109 2.455 1.00 0.85 H ATOM 1891 HB3 ASN A 123 -17.323 -0.636 3.739 1.00 0.89 H ATOM 1892 HD21 ASN A 123 -14.750 1.334 3.447 1.00 0.99 H ATOM 1893 HD22 ASN A 123 -13.802 0.807 4.753 1.00 0.93 H ATOM 1894 N GLN A 124 -17.232 -3.277 0.716 1.00 1.42 N ATOM 1895 CA GLN A 124 -18.277 -3.609 -0.246 1.00 1.71 C ATOM 1896 C GLN A 124 -19.551 -4.038 0.474 1.00 2.33 C ATOM 1897 O GLN A 124 -19.441 -4.547 1.578 1.00 2.83 O ATOM 1898 CB GLN A 124 -17.802 -4.736 -1.164 1.00 1.80 C ATOM 1899 CG GLN A 124 -16.602 -4.257 -1.983 1.00 1.88 C ATOM 1900 CD GLN A 124 -16.088 -5.387 -2.867 1.00 2.28 C ATOM 1901 OE1 GLN A 124 -16.443 -6.548 -2.662 1.00 3.03 O ATOM 1902 NE2 GLN A 124 -15.266 -5.116 -3.844 1.00 2.36 N ATOM 1903 OXT GLN A 124 -20.617 -3.853 -0.088 1.00 2.83 O ATOM 1904 H GLN A 124 -16.403 -3.800 0.726 1.00 1.75 H ATOM 1905 HA GLN A 124 -18.490 -2.737 -0.846 1.00 1.88 H ATOM 1906 HB2 GLN A 124 -17.514 -5.589 -0.567 1.00 2.13 H ATOM 1907 HB3 GLN A 124 -18.602 -5.017 -1.832 1.00 2.03 H ATOM 1908 HG2 GLN A 124 -16.901 -3.424 -2.602 1.00 2.46 H ATOM 1909 HG3 GLN A 124 -15.816 -3.941 -1.313 1.00 2.08 H ATOM 1910 HE21 GLN A 124 -14.985 -4.192 -4.005 1.00 2.08 H ATOM 1911 HE22 GLN A 124 -14.931 -5.837 -4.417 1.00 2.98 H TER 1912 GLN A 124 HETATM 1913 FE HEM A 125 -5.898 4.932 3.812 1.00 0.43 FE HETATM 1914 CHA HEM A 125 -6.225 7.566 5.916 1.00 0.57 C HETATM 1915 CHB HEM A 125 -4.515 3.085 6.293 1.00 0.52 C HETATM 1916 CHC HEM A 125 -5.566 2.298 1.701 1.00 0.38 C HETATM 1917 CHD HEM A 125 -7.196 6.763 1.277 1.00 0.44 C HETATM 1918 NA HEM A 125 -5.480 5.250 5.710 1.00 0.50 N HETATM 1919 C1A HEM A 125 -5.680 6.403 6.443 1.00 0.56 C HETATM 1920 C2A HEM A 125 -5.216 6.252 7.828 1.00 0.63 C HETATM 1921 C3A HEM A 125 -4.710 4.975 7.918 1.00 0.61 C HETATM 1922 C4A HEM A 125 -4.892 4.376 6.606 1.00 0.54 C HETATM 1923 CMA HEM A 125 -4.027 4.307 9.098 1.00 0.67 C HETATM 1924 CAA HEM A 125 -5.309 7.295 8.932 1.00 0.72 C HETATM 1925 CBA HEM A 125 -4.095 8.225 8.952 1.00 1.21 C HETATM 1926 CGA HEM A 125 -3.966 8.845 7.604 1.00 1.67 C HETATM 1927 O1A HEM A 125 -4.653 9.872 7.357 1.00 2.15 O HETATM 1928 O2A HEM A 125 -3.177 8.311 6.780 1.00 2.40 O HETATM 1929 NB HEM A 125 -5.206 3.101 3.965 1.00 0.42 N HETATM 1930 C1B HEM A 125 -4.660 2.486 5.067 1.00 0.46 C HETATM 1931 C2B HEM A 125 -4.258 1.122 4.772 1.00 0.47 C HETATM 1932 C3B HEM A 125 -4.566 0.909 3.479 1.00 0.44 C HETATM 1933 C4B HEM A 125 -5.145 2.132 2.989 1.00 0.40 C HETATM 1934 CMB HEM A 125 -3.602 0.153 5.701 1.00 0.54 C HETATM 1935 CAB HEM A 125 -4.394 -0.260 2.758 1.00 0.45 C HETATM 1936 CBB HEM A 125 -4.781 -1.485 3.268 1.00 0.50 C HETATM 1937 NC HEM A 125 -6.298 4.605 1.918 1.00 0.38 N HETATM 1938 C1C HEM A 125 -6.105 3.450 1.189 1.00 0.37 C HETATM 1939 C2C HEM A 125 -6.533 3.609 -0.186 1.00 0.38 C HETATM 1940 C3C HEM A 125 -6.985 4.872 -0.296 1.00 0.40 C HETATM 1941 C4C HEM A 125 -6.837 5.476 1.004 1.00 0.40 C HETATM 1942 CMC HEM A 125 -6.509 2.573 -1.262 1.00 0.41 C HETATM 1943 CAC HEM A 125 -7.471 5.491 -1.434 1.00 0.44 C HETATM 1944 CBC HEM A 125 -6.807 5.401 -2.643 1.00 0.49 C HETATM 1945 ND HEM A 125 -6.577 6.772 3.635 1.00 0.47 N HETATM 1946 C1D HEM A 125 -7.081 7.386 2.502 1.00 0.47 C HETATM 1947 C2D HEM A 125 -7.473 8.764 2.754 1.00 0.53 C HETATM 1948 C3D HEM A 125 -7.197 9.001 4.079 1.00 0.56 C HETATM 1949 C4D HEM A 125 -6.644 7.749 4.607 1.00 0.53 C HETATM 1950 CMD HEM A 125 -8.061 9.720 1.732 1.00 0.56 C HETATM 1951 CAD HEM A 125 -7.395 10.296 4.848 1.00 0.64 C HETATM 1952 CBD HEM A 125 -8.682 10.286 5.675 1.00 1.49 C HETATM 1953 CGD HEM A 125 -8.706 11.522 6.507 1.00 2.00 C HETATM 1954 O1D HEM A 125 -9.360 12.511 6.079 1.00 2.55 O HETATM 1955 O2D HEM A 125 -8.070 11.515 7.594 1.00 2.60 O HETATM 1956 HHA HEM A 125 -6.332 8.407 6.585 1.00 0.62 H HETATM 1957 HHB HEM A 125 -4.064 2.489 7.080 1.00 0.56 H HETATM 1958 HHC HEM A 125 -5.461 1.445 1.033 1.00 0.39 H HETATM 1959 HHD HEM A 125 -7.598 7.337 0.447 1.00 0.46 H HETATM 1960 HMA1 HEM A 125 -2.935 4.235 8.910 1.00 1.14 H HETATM 1961 HMA2 HEM A 125 -4.433 3.282 9.238 1.00 1.25 H HETATM 1962 HMA3 HEM A 125 -4.190 4.880 10.030 1.00 1.33 H HETATM 1963 HAA1 HEM A 125 -5.390 6.780 9.910 1.00 1.39 H HETATM 1964 HAA2 HEM A 125 -6.229 7.896 8.784 1.00 1.12 H HETATM 1965 HBA1 HEM A 125 -3.175 7.648 9.185 1.00 1.83 H HETATM 1966 HBA2 HEM A 125 -4.236 9.021 9.714 1.00 1.89 H HETATM 1967 HMB1 HEM A 125 -4.355 -0.276 6.397 1.00 1.19 H HETATM 1968 HMB2 HEM A 125 -2.815 0.667 6.294 1.00 1.20 H HETATM 1969 HMB3 HEM A 125 -3.134 -0.672 5.123 1.00 1.14 H HETATM 1970 HAB HEM A 125 -3.933 -0.216 1.783 1.00 0.45 H HETATM 1971 HBB1 HEM A 125 -5.252 -1.558 4.237 1.00 0.53 H HETATM 1972 HBB2 HEM A 125 -4.623 -2.391 2.701 1.00 0.53 H HETATM 1973 HMC1 HEM A 125 -5.478 2.461 -1.659 1.00 1.21 H HETATM 1974 HMC2 HEM A 125 -7.184 2.872 -2.092 1.00 1.12 H HETATM 1975 HMC3 HEM A 125 -6.848 1.596 -0.857 1.00 1.02 H HETATM 1976 HAC HEM A 125 -8.397 6.044 -1.380 1.00 0.45 H HETATM 1977 HBC1 HEM A 125 -5.875 4.863 -2.725 1.00 0.50 H HETATM 1978 HBC2 HEM A 125 -7.210 5.873 -3.527 1.00 0.54 H HETATM 1979 HMD1 HEM A 125 -8.599 10.547 2.238 1.00 1.15 H HETATM 1980 HMD2 HEM A 125 -8.778 9.187 1.076 1.00 1.22 H HETATM 1981 HMD3 HEM A 125 -7.251 10.150 1.105 1.00 1.09 H HETATM 1982 HAD1 HEM A 125 -7.429 11.140 4.128 1.00 1.36 H HETATM 1983 HAD2 HEM A 125 -6.527 10.448 5.523 1.00 1.15 H HETATM 1984 HBD1 HEM A 125 -8.705 9.393 6.336 1.00 2.10 H HETATM 1985 HBD2 HEM A 125 -9.568 10.274 5.004 1.00 2.16 H