HEADER DE NOVO PROTEIN 12-MAR-11 SMS21002 TITLE SOLUTION NMR STRUCTURE OF TZ2C-BG COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRPZIP2C-BG; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHETIC PEPTIDE KEYWDS TRPZIP, DE NOVO PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR D.MCELHENY,T.A.KEIDERLING JRNL AUTH T.A.KEIDERLING,L.WU,V.SETNICKA,J.HILARIO,D.MCELHENY JRNL TITL ROLE OF DIFFERENT BETA-TURNS IN BETA-HAIRPIN CONFORMATION JRNL TITL 2 AND STABILITY STUDIED BY OPTICAL SPECTROSCOPY JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 2.0 REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 3 ROUNDS OF SIMULATED ANNEALING WITH REMARK 3 AMBER 8. PLEASE SEE PUBLISHED PAPER FOR DETAILS. REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-APR-11. REMARK 100 THE BMRB ID CODE IS SMS21002. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 5.8 REMARK 210 IONIC STRENGTH : 0.02 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 4-4.1MM TRPZIP2C-BG, 90% H2O/10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY; REMARK 210 2D 1H-1H COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA 2.0 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: USED IN-PHASE COSY EXPERIMENT. ALL EXPTS WITH EXCITATION REMARK 210 SCULPTING FOR WATER SUPPRESSION. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 16 AIB A 6 28.77 48.35 REMARK 500 19 AIB A 6 27.89 48.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 21002 RELATED DB: BMRB DBREF A 1 12 BMRB SMS21002 SMS21002 1 12 SEQADV NH2 A 13 BMRB SMS21002 AMIDATION SEQRES 1 A 13 ALA TRP ALA TRP GLU AIB GLY LYS TRP ALA TRP LYS NH2 MODRES AIB A 6 ALA ALPHA-AMINOISOBUTYRIC ACID HET AIB A 6 13 HET NH2 A 13 3 HETNAM AIB ALPHA-AMINOISOBUTYRIC ACID HETNAM NH2 AMINO GROUP FORMUL 1 AIB C4 H9 N O2 FORMUL 1 NH2 H2 N SHEET 1 A 2 TRP A 2 GLU A 5 0 SHEET 2 A 2 LYS A 8 TRP A 11 -1 O LYS A 8 N GLU A 5 LINK C GLU A 5 N AIB A 6 1555 1555 1.34 LINK C AIB A 6 N GLY A 7 1555 1555 1.35 LINK C LYS A 12 N NH2 A 13 1555 1555 1.33 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 ALA A 1 0.298 0.319 -1.072 1.00 0.00 N ATOM 2 CA ALA A 1 1.565 0.115 -1.821 1.00 0.00 C ATOM 3 C ALA A 1 2.042 -1.338 -1.689 1.00 0.00 C ATOM 4 O ALA A 1 1.879 -1.972 -0.646 1.00 0.00 O ATOM 5 CB ALA A 1 2.648 1.075 -1.291 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.120 1.238 -1.108 1.00 0.00 H ATOM 7 H2 ALA A 1 -0.394 -0.340 -1.398 1.00 0.00 H ATOM 8 H3 ALA A 1 0.473 0.126 -0.096 1.00 0.00 H ATOM 9 HA ALA A 1 1.381 0.341 -2.872 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.571 0.905 -1.846 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.339 2.113 -1.417 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.849 0.887 -0.236 1.00 0.00 H ATOM 13 N TRP A 2 2.623 -1.868 -2.775 1.00 0.00 N ATOM 14 CA TRP A 2 3.191 -3.232 -2.784 1.00 0.00 C ATOM 15 C TRP A 2 4.674 -3.213 -2.388 1.00 0.00 C ATOM 16 O TRP A 2 5.405 -2.264 -2.711 1.00 0.00 O ATOM 17 CB TRP A 2 3.039 -3.853 -4.186 1.00 0.00 C ATOM 18 CG TRP A 2 1.723 -4.515 -4.455 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.839 -4.214 -5.434 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.137 -5.654 -3.738 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.225 -5.108 -5.406 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.097 -6.013 -4.374 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.533 -6.397 -2.610 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.875 -7.090 -3.928 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.752 -7.477 -2.152 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.430 -7.836 -2.815 1.00 0.00 C ATOM 27 H TRP A 2 2.703 -1.308 -3.612 1.00 0.00 H ATOM 28 HA TRP A 2 2.647 -3.848 -2.068 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.249 -3.087 -4.933 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.790 -4.634 -4.304 1.00 0.00 H ATOM 31 HD1 TRP A 2 0.961 -3.403 -6.138 1.00 0.00 H ATOM 32 HE1 TRP A 2 -1.015 -5.065 -6.035 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.465 -6.143 -2.127 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.799 -7.325 -4.435 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.047 -8.065 -1.295 1.00 0.00 H ATOM 36 HH2 TRP A 2 -1.003 -8.685 -2.471 1.00 0.00 H ATOM 37 N ALA A 3 5.123 -4.297 -1.736 1.00 0.00 N ATOM 38 CA ALA A 3 6.541 -4.499 -1.422 1.00 0.00 C ATOM 39 C ALA A 3 6.940 -5.971 -1.639 1.00 0.00 C ATOM 40 O ALA A 3 6.178 -6.886 -1.312 1.00 0.00 O ATOM 41 CB ALA A 3 6.810 -4.088 0.028 1.00 0.00 C ATOM 42 H ALA A 3 4.458 -4.984 -1.412 1.00 0.00 H ATOM 43 HA ALA A 3 7.146 -3.872 -2.077 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.230 -4.715 0.706 1.00 0.00 H ATOM 45 HB2 ALA A 3 7.869 -4.218 0.249 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.545 -3.041 0.174 1.00 0.00 H ATOM 47 N TRP A 4 8.138 -6.186 -2.193 1.00 0.00 N ATOM 48 CA TRP A 4 8.613 -7.539 -2.533 1.00 0.00 C ATOM 49 C TRP A 4 9.766 -7.951 -1.605 1.00 0.00 C ATOM 50 O TRP A 4 10.809 -7.291 -1.564 1.00 0.00 O ATOM 51 CB TRP A 4 9.076 -7.579 -3.998 1.00 0.00 C ATOM 52 CG TRP A 4 9.529 -8.899 -4.536 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.789 -9.208 -4.922 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.738 -10.098 -4.827 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.826 -10.481 -5.446 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.574 -11.057 -5.460 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.387 -10.445 -4.674 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.097 -12.285 -5.927 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.896 -11.703 -5.072 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.751 -12.620 -5.722 1.00 0.00 C ATOM 61 H TRP A 4 8.731 -5.400 -2.417 1.00 0.00 H ATOM 62 HA TRP A 4 7.791 -8.244 -2.403 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.246 -7.270 -4.634 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.869 -6.842 -4.130 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.631 -8.535 -4.860 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.668 -10.920 -5.791 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.709 -9.712 -4.261 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.760 -12.978 -6.424 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.851 -11.951 -4.960 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.365 -13.560 -6.087 1.00 0.00 H ATOM 71 N GLU A 5 9.562 -9.031 -0.848 1.00 0.00 N ATOM 72 CA GLU A 5 10.535 -9.473 0.164 1.00 0.00 C ATOM 73 C GLU A 5 10.465 -10.998 0.361 1.00 0.00 C ATOM 74 O GLU A 5 9.383 -11.573 0.383 1.00 0.00 O ATOM 75 CB GLU A 5 10.269 -8.762 1.502 1.00 0.00 C ATOM 76 CG GLU A 5 11.385 -9.011 2.524 1.00 0.00 C ATOM 77 CD GLU A 5 11.158 -8.178 3.801 1.00 0.00 C ATOM 78 OE1 GLU A 5 10.354 -8.603 4.667 1.00 0.00 O1- ATOM 79 OE2 GLU A 5 11.786 -7.100 3.962 1.00 0.00 O ATOM 80 H GLU A 5 8.695 -9.542 -0.938 1.00 0.00 H ATOM 81 HA GLU A 5 11.539 -9.216 -0.175 1.00 0.00 H ATOM 82 HB2 GLU A 5 10.205 -7.688 1.329 1.00 0.00 H ATOM 83 HB3 GLU A 5 9.318 -9.104 1.912 1.00 0.00 H ATOM 84 HG2 GLU A 5 11.413 -10.067 2.793 1.00 0.00 H ATOM 85 HG3 GLU A 5 12.346 -8.751 2.080 1.00 0.00 H HETATM 86 N AIB A 6 11.629 -11.653 0.489 1.00 0.00 N HETATM 87 CA AIB A 6 11.771 -13.122 0.549 1.00 0.00 C HETATM 88 C AIB A 6 11.002 -13.891 -0.576 1.00 0.00 C HETATM 89 O AIB A 6 10.577 -15.028 -0.382 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.277 -13.397 0.381 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.388 -13.597 1.966 1.00 0.00 C HETATM 92 H AIB A 6 12.482 -11.113 0.509 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.458 -14.472 0.413 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.612 -13.015 -0.584 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.852 -12.900 1.162 1.00 0.00 H HETATM 96 HB21 AIB A 6 11.615 -14.659 2.064 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.943 -13.051 2.729 1.00 0.00 H HETATM 98 HB23 AIB A 6 10.321 -13.450 2.131 1.00 0.00 H ATOM 99 N GLY A 7 10.867 -13.250 -1.751 1.00 0.00 N ATOM 100 CA GLY A 7 10.181 -13.875 -2.892 1.00 0.00 C ATOM 101 C GLY A 7 8.649 -13.905 -2.719 1.00 0.00 C ATOM 102 O GLY A 7 7.970 -14.795 -3.243 1.00 0.00 O ATOM 103 H GLY A 7 11.288 -12.340 -1.876 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.434 -13.309 -3.788 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.553 -14.894 -3.000 1.00 0.00 H ATOM 106 N LYS A 8 8.113 -12.938 -1.944 1.00 0.00 N ATOM 107 CA LYS A 8 6.664 -12.805 -1.737 1.00 0.00 C ATOM 108 C LYS A 8 6.242 -11.316 -1.790 1.00 0.00 C ATOM 109 O LYS A 8 6.982 -10.440 -1.338 1.00 0.00 O ATOM 110 CB LYS A 8 6.269 -13.418 -0.376 1.00 0.00 C ATOM 111 CG LYS A 8 4.753 -13.552 -0.201 1.00 0.00 C ATOM 112 CD LYS A 8 4.350 -14.041 1.205 1.00 0.00 C ATOM 113 CE LYS A 8 2.826 -13.932 1.405 1.00 0.00 C ATOM 114 NZ LYS A 8 2.370 -12.519 1.524 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.722 -12.285 -1.471 1.00 0.00 H ATOM 116 HA LYS A 8 6.143 -13.342 -2.530 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.720 -14.405 -0.281 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.675 -12.788 0.416 1.00 0.00 H ATOM 119 HG2 LYS A 8 4.305 -12.575 -0.379 1.00 0.00 H ATOM 120 HG3 LYS A 8 4.374 -14.250 -0.947 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.639 -15.087 1.300 1.00 0.00 H ATOM 122 HD3 LYS A 8 4.876 -13.473 1.972 1.00 0.00 H ATOM 123 HE2 LYS A 8 2.338 -14.408 0.555 1.00 0.00 H ATOM 124 HE3 LYS A 8 2.562 -14.483 2.308 1.00 0.00 H ATOM 125 HZ1 LYS A 8 2.785 -12.071 2.329 1.00 0.00 H ATOM 126 HZ2 LYS A 8 2.616 -11.975 0.709 1.00 0.00 H ATOM 127 HZ3 LYS A 8 1.366 -12.458 1.614 1.00 0.00 H ATOM 128 N TRP A 9 5.055 -11.058 -2.350 1.00 0.00 N ATOM 129 CA TRP A 9 4.437 -9.727 -2.304 1.00 0.00 C ATOM 130 C TRP A 9 3.713 -9.501 -0.964 1.00 0.00 C ATOM 131 O TRP A 9 3.079 -10.415 -0.420 1.00 0.00 O ATOM 132 CB TRP A 9 3.444 -9.575 -3.465 1.00 0.00 C ATOM 133 CG TRP A 9 4.026 -9.270 -4.817 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.818 -9.995 -5.951 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.831 -8.116 -5.223 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.487 -9.395 -7.007 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.113 -8.229 -6.628 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.330 -6.972 -4.560 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.872 -7.265 -7.319 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.066 -5.991 -5.254 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.354 -6.140 -6.619 1.00 0.00 C ATOM 142 H TRP A 9 4.517 -11.818 -2.742 1.00 0.00 H ATOM 143 HA TRP A 9 5.214 -8.970 -2.411 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.812 -10.460 -3.531 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.762 -8.754 -3.242 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.220 -10.890 -6.035 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.522 -9.797 -7.933 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.095 -6.851 -3.513 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.061 -7.395 -8.375 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.416 -5.109 -4.737 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.908 -5.380 -7.150 1.00 0.00 H ATOM 152 N ALA A 10 3.768 -8.263 -0.470 1.00 0.00 N ATOM 153 CA ALA A 10 3.045 -7.867 0.747 1.00 0.00 C ATOM 154 C ALA A 10 2.543 -6.412 0.619 1.00 0.00 C ATOM 155 O ALA A 10 3.270 -5.529 0.158 1.00 0.00 O ATOM 156 CB ALA A 10 3.969 -8.003 1.962 1.00 0.00 C ATOM 157 H ALA A 10 4.297 -7.554 -0.958 1.00 0.00 H ATOM 158 HA ALA A 10 2.185 -8.523 0.884 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.835 -7.349 1.858 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.428 -7.712 2.862 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.319 -9.032 2.054 1.00 0.00 H ATOM 162 N TRP A 11 1.288 -6.193 0.993 1.00 0.00 N ATOM 163 CA TRP A 11 0.622 -4.902 0.787 1.00 0.00 C ATOM 164 C TRP A 11 0.598 -4.087 2.085 1.00 0.00 C ATOM 165 O TRP A 11 0.281 -4.620 3.158 1.00 0.00 O ATOM 166 CB TRP A 11 -0.809 -5.128 0.288 1.00 0.00 C ATOM 167 CG TRP A 11 -1.616 -3.890 -0.021 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.642 -3.425 0.727 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.523 -3.015 -1.172 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.191 -2.319 0.113 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.563 -2.044 -1.098 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.673 -2.955 -2.303 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.784 -1.091 -2.098 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.889 -2.011 -3.332 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.938 -1.081 -3.228 1.00 0.00 C ATOM 176 H TRP A 11 0.738 -6.948 1.377 1.00 0.00 H ATOM 177 HA TRP A 11 1.179 -4.344 0.034 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.788 -5.711 -0.633 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.365 -5.690 1.038 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.004 -3.863 1.646 1.00 0.00 H ATOM 181 HE1 TRP A 11 -3.997 -1.823 0.466 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.125 -3.676 -2.399 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.604 -0.396 -1.988 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.283 -2.038 -4.226 1.00 0.00 H ATOM 185 HH2 TRP A 11 -2.105 -0.372 -4.025 1.00 0.00 H ATOM 186 N LYS A 12 0.944 -2.799 1.983 1.00 0.00 N ATOM 187 CA LYS A 12 1.146 -1.934 3.177 1.00 0.00 C ATOM 188 C LYS A 12 0.834 -0.472 2.850 1.00 0.00 C ATOM 189 O LYS A 12 0.781 -0.080 1.684 1.00 0.00 O ATOM 190 CB LYS A 12 2.609 -2.068 3.680 1.00 0.00 C ATOM 191 CG LYS A 12 3.680 -1.760 2.622 1.00 0.00 C ATOM 192 CD LYS A 12 5.108 -1.860 3.176 1.00 0.00 C ATOM 193 CE LYS A 12 5.449 -3.301 3.616 1.00 0.00 C ATOM 194 NZ LYS A 12 6.845 -3.388 4.131 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.211 -2.420 1.086 1.00 0.00 H ATOM 196 HA LYS A 12 0.492 -2.306 3.966 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.751 -1.403 4.533 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.735 -3.088 4.042 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.578 -2.479 1.809 1.00 0.00 H ATOM 200 HG3 LYS A 12 3.536 -0.753 2.231 1.00 0.00 H ATOM 201 HD2 LYS A 12 5.795 -1.548 2.388 1.00 0.00 H ATOM 202 HD3 LYS A 12 5.222 -1.168 4.010 1.00 0.00 H ATOM 203 HE2 LYS A 12 4.764 -3.613 4.405 1.00 0.00 H ATOM 204 HE3 LYS A 12 5.312 -3.967 2.764 1.00 0.00 H ATOM 205 HZ1 LYS A 12 7.062 -4.324 4.443 1.00 0.00 H ATOM 206 HZ2 LYS A 12 7.529 -3.126 3.435 1.00 0.00 H ATOM 207 HZ3 LYS A 12 6.961 -2.773 4.924 1.00 0.00 H HETATM 208 N NH2 A 13 0.638 0.364 3.861 1.00 0.00 N HETATM 209 HN1 NH2 A 13 0.659 0.037 4.816 1.00 0.00 H HETATM 210 HN2 NH2 A 13 0.452 1.335 3.653 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 2 ATOM 1 N ALA A 1 0.376 0.328 -0.926 1.00 0.00 N ATOM 2 CA ALA A 1 1.584 0.138 -1.773 1.00 0.00 C ATOM 3 C ALA A 1 2.113 -1.303 -1.645 1.00 0.00 C ATOM 4 O ALA A 1 2.002 -1.917 -0.587 1.00 0.00 O ATOM 5 CB ALA A 1 2.680 1.136 -1.354 1.00 0.00 C ATOM 6 H1 ALA A 1 0.477 0.178 0.068 1.00 0.00 H ATOM 7 H2 ALA A 1 0.021 1.267 -1.041 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.351 -0.304 -1.230 1.00 0.00 H ATOM 9 HA ALA A 1 1.324 0.325 -2.815 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.308 2.154 -1.462 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.985 0.968 -0.321 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.552 1.029 -1.999 1.00 0.00 H ATOM 13 N TRP A 2 2.672 -1.829 -2.743 1.00 0.00 N ATOM 14 CA TRP A 2 3.233 -3.192 -2.761 1.00 0.00 C ATOM 15 C TRP A 2 4.718 -3.181 -2.348 1.00 0.00 C ATOM 16 O TRP A 2 5.460 -2.254 -2.683 1.00 0.00 O ATOM 17 CB TRP A 2 3.088 -3.797 -4.165 1.00 0.00 C ATOM 18 CG TRP A 2 1.784 -4.469 -4.455 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.902 -4.163 -5.447 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.197 -5.609 -3.753 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.157 -5.052 -5.416 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.030 -5.964 -4.397 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.589 -6.369 -2.634 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.810 -7.049 -3.967 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.803 -7.453 -2.184 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.381 -7.803 -2.854 1.00 0.00 C ATOM 27 H TRP A 2 2.742 -1.273 -3.582 1.00 0.00 H ATOM 28 HA TRP A 2 2.681 -3.811 -2.054 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.281 -3.035 -4.919 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.859 -4.555 -4.307 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.042 -3.367 -6.163 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.938 -5.007 -6.055 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.518 -6.120 -2.143 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.722 -7.298 -4.488 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.132 -8.033 -1.335 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.942 -8.650 -2.487 1.00 0.00 H ATOM 37 N ALA A 3 5.160 -4.265 -1.698 1.00 0.00 N ATOM 38 CA ALA A 3 6.580 -4.494 -1.415 1.00 0.00 C ATOM 39 C ALA A 3 6.943 -5.962 -1.664 1.00 0.00 C ATOM 40 O ALA A 3 6.197 -6.873 -1.272 1.00 0.00 O ATOM 41 CB ALA A 3 6.880 -4.106 0.033 1.00 0.00 C ATOM 42 H ALA A 3 4.500 -4.973 -1.408 1.00 0.00 H ATOM 43 HA ALA A 3 7.181 -3.872 -2.079 1.00 0.00 H ATOM 44 HB1 ALA A 3 7.942 -4.235 0.240 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.633 -3.055 0.189 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.296 -4.716 0.720 1.00 0.00 H ATOM 47 N TRP A 4 8.090 -6.190 -2.316 1.00 0.00 N ATOM 48 CA TRP A 4 8.573 -7.548 -2.601 1.00 0.00 C ATOM 49 C TRP A 4 9.677 -7.943 -1.618 1.00 0.00 C ATOM 50 O TRP A 4 10.747 -7.316 -1.583 1.00 0.00 O ATOM 51 CB TRP A 4 9.103 -7.604 -4.050 1.00 0.00 C ATOM 52 CG TRP A 4 9.556 -8.950 -4.568 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.814 -9.246 -4.986 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.757 -10.137 -4.848 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.834 -10.524 -5.509 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.589 -11.101 -5.470 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.388 -10.471 -4.667 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.097 -12.345 -5.897 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.898 -11.715 -5.077 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.742 -12.664 -5.693 1.00 0.00 C ATOM 61 H TRP A 4 8.674 -5.412 -2.590 1.00 0.00 H ATOM 62 HA TRP A 4 7.744 -8.248 -2.503 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.307 -7.254 -4.707 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.924 -6.896 -4.161 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.636 -8.547 -4.960 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.664 -10.943 -5.904 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.722 -9.757 -4.207 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.753 -13.048 -6.388 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.852 -11.933 -4.924 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.349 -13.608 -6.040 1.00 0.00 H ATOM 71 N GLU A 5 9.387 -8.939 -0.780 1.00 0.00 N ATOM 72 CA GLU A 5 10.274 -9.316 0.330 1.00 0.00 C ATOM 73 C GLU A 5 10.349 -10.845 0.459 1.00 0.00 C ATOM 74 O GLU A 5 9.318 -11.527 0.458 1.00 0.00 O ATOM 75 CB GLU A 5 9.760 -8.716 1.650 1.00 0.00 C ATOM 76 CG GLU A 5 9.805 -7.177 1.702 1.00 0.00 C ATOM 77 CD GLU A 5 9.371 -6.643 3.079 1.00 0.00 C ATOM 78 OE1 GLU A 5 10.171 -6.719 4.048 1.00 0.00 O1- ATOM 79 OE2 GLU A 5 8.226 -6.142 3.206 1.00 0.00 O ATOM 80 H GLU A 5 8.490 -9.399 -0.845 1.00 0.00 H ATOM 81 HA GLU A 5 11.275 -8.928 0.133 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.733 -9.043 1.821 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.381 -9.098 2.460 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.821 -6.846 1.487 1.00 0.00 H ATOM 85 HG3 GLU A 5 9.166 -6.758 0.926 1.00 0.00 H HETATM 86 N AIB A 6 11.560 -11.388 0.562 1.00 0.00 N HETATM 87 CA AIB A 6 11.852 -12.819 0.606 1.00 0.00 C HETATM 88 C AIB A 6 11.122 -13.658 -0.498 1.00 0.00 C HETATM 89 O AIB A 6 10.783 -14.828 -0.285 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.378 -12.951 0.400 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.562 -13.334 2.034 1.00 0.00 C HETATM 92 H AIB A 6 12.358 -10.769 0.592 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.922 -12.368 1.144 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.677 -13.994 0.499 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.636 -12.598 -0.599 1.00 0.00 H HETATM 96 HB21 AIB A 6 10.489 -13.311 2.224 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.926 -14.356 2.137 1.00 0.00 H HETATM 98 HB23 AIB A 6 12.059 -12.711 2.778 1.00 0.00 H ATOM 99 N GLY A 7 10.927 -13.048 -1.674 1.00 0.00 N ATOM 100 CA GLY A 7 10.269 -13.750 -2.800 1.00 0.00 C ATOM 101 C GLY A 7 8.734 -13.831 -2.637 1.00 0.00 C ATOM 102 O GLY A 7 8.085 -14.730 -3.178 1.00 0.00 O ATOM 103 H GLY A 7 11.258 -12.103 -1.810 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.494 -13.217 -3.724 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.667 -14.762 -2.868 1.00 0.00 H ATOM 106 N LYS A 8 8.153 -12.861 -1.896 1.00 0.00 N ATOM 107 CA LYS A 8 6.684 -12.771 -1.722 1.00 0.00 C ATOM 108 C LYS A 8 6.228 -11.317 -1.737 1.00 0.00 C ATOM 109 O LYS A 8 6.918 -10.433 -1.223 1.00 0.00 O ATOM 110 CB LYS A 8 6.275 -13.437 -0.400 1.00 0.00 C ATOM 111 CG LYS A 8 4.753 -13.552 -0.222 1.00 0.00 C ATOM 112 CD LYS A 8 4.331 -14.100 1.146 1.00 0.00 C ATOM 113 CE LYS A 8 2.792 -14.066 1.291 1.00 0.00 C ATOM 114 NZ LYS A 8 2.262 -12.678 1.380 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.731 -12.193 -1.406 1.00 0.00 H ATOM 116 HA LYS A 8 6.209 -13.300 -2.548 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.703 -14.439 -0.352 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.688 -12.856 0.426 1.00 0.00 H ATOM 119 HG2 LYS A 8 4.305 -12.566 -0.341 1.00 0.00 H ATOM 120 HG3 LYS A 8 4.363 -14.193 -1.013 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.646 -15.140 1.226 1.00 0.00 H ATOM 122 HD3 LYS A 8 4.799 -13.526 1.946 1.00 0.00 H ATOM 123 HE2 LYS A 8 2.359 -14.558 0.419 1.00 0.00 H ATOM 124 HE3 LYS A 8 2.514 -14.617 2.189 1.00 0.00 H ATOM 125 HZ1 LYS A 8 2.562 -12.109 0.601 1.00 0.00 H ATOM 126 HZ2 LYS A 8 1.254 -12.651 1.411 1.00 0.00 H ATOM 127 HZ3 LYS A 8 2.620 -12.229 2.211 1.00 0.00 H ATOM 128 N TRP A 9 5.066 -11.066 -2.340 1.00 0.00 N ATOM 129 CA TRP A 9 4.433 -9.743 -2.296 1.00 0.00 C ATOM 130 C TRP A 9 3.684 -9.537 -0.968 1.00 0.00 C ATOM 131 O TRP A 9 3.019 -10.444 -0.468 1.00 0.00 O ATOM 132 CB TRP A 9 3.447 -9.600 -3.472 1.00 0.00 C ATOM 133 CG TRP A 9 4.021 -9.286 -4.832 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.835 -10.024 -5.947 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.807 -8.127 -5.228 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.516 -9.418 -7.005 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.112 -8.242 -6.647 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.314 -6.984 -4.582 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.870 -7.280 -7.332 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.064 -6.006 -5.268 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.350 -6.163 -6.625 1.00 0.00 C ATOM 142 H TRP A 9 4.554 -11.826 -2.765 1.00 0.00 H ATOM 143 HA TRP A 9 5.207 -8.980 -2.383 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.831 -10.498 -3.522 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.787 -8.759 -3.255 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.231 -10.918 -5.996 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.553 -9.854 -7.916 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.071 -6.872 -3.535 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.073 -7.408 -8.385 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.426 -5.140 -4.733 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.938 -5.424 -7.149 1.00 0.00 H ATOM 152 N ALA A 10 3.760 -8.313 -0.435 1.00 0.00 N ATOM 153 CA ALA A 10 3.010 -7.933 0.761 1.00 0.00 C ATOM 154 C ALA A 10 2.533 -6.461 0.656 1.00 0.00 C ATOM 155 O ALA A 10 3.304 -5.581 0.242 1.00 0.00 O ATOM 156 CB ALA A 10 3.899 -8.107 2.010 1.00 0.00 C ATOM 157 H ALA A 10 4.341 -7.612 -0.875 1.00 0.00 H ATOM 158 HA ALA A 10 2.140 -8.583 0.863 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.785 -7.479 1.933 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.332 -7.837 2.902 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.188 -9.154 2.093 1.00 0.00 H ATOM 162 N TRP A 11 1.259 -6.219 0.980 1.00 0.00 N ATOM 163 CA TRP A 11 0.623 -4.926 0.740 1.00 0.00 C ATOM 164 C TRP A 11 0.617 -4.075 2.019 1.00 0.00 C ATOM 165 O TRP A 11 0.223 -4.546 3.096 1.00 0.00 O ATOM 166 CB TRP A 11 -0.818 -5.145 0.249 1.00 0.00 C ATOM 167 CG TRP A 11 -1.631 -3.931 -0.067 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.682 -3.469 0.654 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.517 -3.033 -1.204 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.220 -2.358 0.037 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.548 -2.059 -1.121 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.629 -2.960 -2.301 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.725 -1.078 -2.104 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.805 -1.985 -3.302 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.853 -1.054 -3.212 1.00 0.00 C ATOM 176 H TRP A 11 0.691 -6.967 1.351 1.00 0.00 H ATOM 177 HA TRP A 11 1.179 -4.396 -0.033 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.762 -5.726 -0.672 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.368 -5.745 0.973 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.043 -3.931 1.562 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.035 -1.869 0.377 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.115 -3.729 -2.445 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.521 -0.353 -2.025 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.152 -1.961 -4.162 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.995 -0.321 -3.993 1.00 0.00 H ATOM 186 N LYS A 12 1.060 -2.822 1.889 1.00 0.00 N ATOM 187 CA LYS A 12 1.319 -1.949 3.053 1.00 0.00 C ATOM 188 C LYS A 12 0.408 -0.715 3.018 1.00 0.00 C ATOM 189 O LYS A 12 0.143 -0.154 1.948 1.00 0.00 O ATOM 190 CB LYS A 12 2.808 -1.496 3.052 1.00 0.00 C ATOM 191 CG LYS A 12 3.854 -2.601 2.854 1.00 0.00 C ATOM 192 CD LYS A 12 3.834 -3.694 3.929 1.00 0.00 C ATOM 193 CE LYS A 12 4.862 -4.791 3.636 1.00 0.00 C ATOM 194 NZ LYS A 12 6.272 -4.330 3.858 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.353 -2.497 0.978 1.00 0.00 H ATOM 196 HA LYS A 12 1.119 -2.509 3.966 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.949 -0.792 2.232 1.00 0.00 H ATOM 198 HB3 LYS A 12 3.017 -0.985 3.991 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.718 -3.057 1.873 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.829 -2.115 2.833 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.026 -3.261 4.910 1.00 0.00 H ATOM 202 HD3 LYS A 12 2.847 -4.158 3.953 1.00 0.00 H ATOM 203 HE2 LYS A 12 4.662 -5.640 4.290 1.00 0.00 H ATOM 204 HE3 LYS A 12 4.730 -5.135 2.610 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.926 -5.064 3.626 1.00 0.00 H ATOM 206 HZ2 LYS A 12 6.491 -3.522 3.292 1.00 0.00 H ATOM 207 HZ3 LYS A 12 6.416 -4.083 4.826 1.00 0.00 H HETATM 208 N NH2 A 13 -0.036 -0.245 4.170 1.00 0.00 N HETATM 209 HN1 NH2 A 13 -0.643 0.561 4.172 1.00 0.00 H HETATM 210 HN2 NH2 A 13 0.208 -0.697 5.040 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 3 ATOM 1 N ALA A 1 0.345 0.422 -1.004 1.00 0.00 N ATOM 2 CA ALA A 1 1.542 0.182 -1.855 1.00 0.00 C ATOM 3 C ALA A 1 2.045 -1.260 -1.692 1.00 0.00 C ATOM 4 O ALA A 1 1.922 -1.851 -0.617 1.00 0.00 O ATOM 5 CB ALA A 1 2.656 1.176 -1.483 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.085 1.334 -1.050 1.00 0.00 H ATOM 7 H2 ALA A 1 -0.364 -0.257 -1.242 1.00 0.00 H ATOM 8 H3 ALA A 1 0.600 0.269 -0.038 1.00 0.00 H ATOM 9 HA ALA A 1 1.258 0.339 -2.896 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.527 1.031 -2.121 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.297 2.197 -1.612 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.960 1.029 -0.447 1.00 0.00 H ATOM 13 N TRP A 2 2.620 -1.811 -2.770 1.00 0.00 N ATOM 14 CA TRP A 2 3.185 -3.166 -2.751 1.00 0.00 C ATOM 15 C TRP A 2 4.672 -3.137 -2.349 1.00 0.00 C ATOM 16 O TRP A 2 5.381 -2.164 -2.624 1.00 0.00 O ATOM 17 CB TRP A 2 3.037 -3.804 -4.143 1.00 0.00 C ATOM 18 CG TRP A 2 1.719 -4.455 -4.406 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.824 -4.150 -5.381 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.147 -5.593 -3.693 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.238 -5.039 -5.326 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.096 -5.960 -4.314 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.563 -6.356 -2.587 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.864 -7.042 -3.859 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.793 -7.444 -2.122 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.403 -7.800 -2.763 1.00 0.00 C ATOM 27 H TRP A 2 2.702 -1.272 -3.619 1.00 0.00 H ATOM 28 HA TRP A 2 2.638 -3.768 -2.027 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.243 -3.061 -4.913 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.789 -4.586 -4.245 1.00 0.00 H ATOM 31 HD1 TRP A 2 0.949 -3.341 -6.085 1.00 0.00 H ATOM 32 HE1 TRP A 2 -1.006 -5.007 -5.982 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.505 -6.091 -2.131 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.794 -7.295 -4.347 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.135 -8.044 -1.294 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.966 -8.651 -2.408 1.00 0.00 H ATOM 37 N ALA A 3 5.138 -4.230 -1.736 1.00 0.00 N ATOM 38 CA ALA A 3 6.568 -4.437 -1.491 1.00 0.00 C ATOM 39 C ALA A 3 6.932 -5.922 -1.690 1.00 0.00 C ATOM 40 O ALA A 3 6.157 -6.817 -1.327 1.00 0.00 O ATOM 41 CB ALA A 3 6.918 -3.992 -0.076 1.00 0.00 C ATOM 42 H ALA A 3 4.497 -4.961 -1.462 1.00 0.00 H ATOM 43 HA ALA A 3 7.139 -3.839 -2.200 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.619 -2.954 0.067 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.401 -4.620 0.648 1.00 0.00 H ATOM 46 HB3 ALA A 3 7.993 -4.076 0.089 1.00 0.00 H ATOM 47 N TRP A 4 8.108 -6.169 -2.272 1.00 0.00 N ATOM 48 CA TRP A 4 8.579 -7.537 -2.534 1.00 0.00 C ATOM 49 C TRP A 4 9.676 -7.932 -1.534 1.00 0.00 C ATOM 50 O TRP A 4 10.705 -7.260 -1.438 1.00 0.00 O ATOM 51 CB TRP A 4 9.118 -7.636 -3.966 1.00 0.00 C ATOM 52 CG TRP A 4 9.590 -8.981 -4.439 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.861 -9.299 -4.769 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.787 -10.165 -4.770 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.914 -10.580 -5.272 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.656 -11.148 -5.332 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.425 -10.501 -4.669 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.185 -12.392 -5.793 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.944 -11.745 -5.108 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.816 -12.687 -5.672 1.00 0.00 C ATOM 61 H TRP A 4 8.714 -5.399 -2.519 1.00 0.00 H ATOM 62 HA TRP A 4 7.741 -8.224 -2.429 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.334 -7.336 -4.662 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.938 -6.929 -4.088 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.705 -8.633 -4.664 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.769 -11.025 -5.571 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.727 -9.761 -4.306 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.875 -13.097 -6.232 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.890 -11.975 -5.048 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.435 -13.642 -6.005 1.00 0.00 H ATOM 71 N GLU A 5 9.431 -8.993 -0.763 1.00 0.00 N ATOM 72 CA GLU A 5 10.331 -9.395 0.322 1.00 0.00 C ATOM 73 C GLU A 5 10.291 -10.923 0.521 1.00 0.00 C ATOM 74 O GLU A 5 9.223 -11.542 0.464 1.00 0.00 O ATOM 75 CB GLU A 5 9.934 -8.683 1.630 1.00 0.00 C ATOM 76 CG GLU A 5 8.461 -8.796 2.051 1.00 0.00 C ATOM 77 CD GLU A 5 8.212 -8.032 3.367 1.00 0.00 C ATOM 78 OE1 GLU A 5 8.553 -8.541 4.462 1.00 0.00 O ATOM 79 OE2 GLU A 5 7.661 -6.902 3.321 1.00 0.00 O1- ATOM 80 H GLU A 5 8.566 -9.502 -0.877 1.00 0.00 H ATOM 81 HA GLU A 5 11.349 -9.107 0.061 1.00 0.00 H ATOM 82 HB2 GLU A 5 10.568 -9.045 2.440 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.152 -7.622 1.514 1.00 0.00 H ATOM 84 HG2 GLU A 5 7.810 -8.393 1.274 1.00 0.00 H ATOM 85 HG3 GLU A 5 8.200 -9.845 2.197 1.00 0.00 H HETATM 86 N AIB A 6 11.466 -11.536 0.708 1.00 0.00 N HETATM 87 CA AIB A 6 11.665 -12.993 0.803 1.00 0.00 C HETATM 88 C AIB A 6 10.939 -13.809 -0.320 1.00 0.00 C HETATM 89 O AIB A 6 10.540 -14.956 -0.107 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.189 -13.231 0.659 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.275 -13.454 2.224 1.00 0.00 C HETATM 92 H AIB A 6 12.296 -10.964 0.764 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.733 -12.693 1.436 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.417 -14.293 0.737 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.529 -12.872 -0.312 1.00 0.00 H HETATM 96 HB21 AIB A 6 10.201 -13.342 2.365 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.542 -14.502 2.362 1.00 0.00 H HETATM 98 HB23 AIB A 6 11.788 -12.854 2.975 1.00 0.00 H ATOM 99 N GLY A 7 10.803 -13.201 -1.505 1.00 0.00 N ATOM 100 CA GLY A 7 10.202 -13.885 -2.661 1.00 0.00 C ATOM 101 C GLY A 7 8.655 -13.911 -2.596 1.00 0.00 C ATOM 102 O GLY A 7 8.016 -14.740 -3.245 1.00 0.00 O ATOM 103 H GLY A 7 11.173 -12.270 -1.635 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.506 -13.371 -3.573 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.570 -14.910 -2.697 1.00 0.00 H ATOM 106 N LYS A 8 8.068 -13.023 -1.774 1.00 0.00 N ATOM 107 CA LYS A 8 6.594 -12.837 -1.717 1.00 0.00 C ATOM 108 C LYS A 8 6.227 -11.347 -1.813 1.00 0.00 C ATOM 109 O LYS A 8 6.973 -10.483 -1.346 1.00 0.00 O ATOM 110 CB LYS A 8 6.042 -13.419 -0.402 1.00 0.00 C ATOM 111 CG LYS A 8 5.858 -14.945 -0.333 1.00 0.00 C ATOM 112 CD LYS A 8 7.108 -15.768 0.016 1.00 0.00 C ATOM 113 CE LYS A 8 7.633 -15.457 1.417 1.00 0.00 C ATOM 114 NZ LYS A 8 8.816 -16.294 1.732 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.646 -12.396 -1.233 1.00 0.00 H ATOM 116 HA LYS A 8 6.142 -13.364 -2.557 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.638 -13.067 0.440 1.00 0.00 H ATOM 118 HB3 LYS A 8 5.043 -13.003 -0.265 1.00 0.00 H ATOM 119 HG2 LYS A 8 5.108 -15.148 0.432 1.00 0.00 H ATOM 120 HG3 LYS A 8 5.448 -15.288 -1.281 1.00 0.00 H ATOM 121 HD2 LYS A 8 6.827 -16.820 -0.035 1.00 0.00 H ATOM 122 HD3 LYS A 8 7.894 -15.600 -0.721 1.00 0.00 H ATOM 123 HE2 LYS A 8 7.900 -14.401 1.467 1.00 0.00 H ATOM 124 HE3 LYS A 8 6.841 -15.658 2.138 1.00 0.00 H ATOM 125 HZ1 LYS A 8 9.572 -16.077 1.098 1.00 0.00 H ATOM 126 HZ2 LYS A 8 9.135 -16.122 2.674 1.00 0.00 H ATOM 127 HZ3 LYS A 8 8.600 -17.278 1.661 1.00 0.00 H ATOM 128 N TRP A 9 5.055 -11.071 -2.383 1.00 0.00 N ATOM 129 CA TRP A 9 4.469 -9.717 -2.328 1.00 0.00 C ATOM 130 C TRP A 9 3.738 -9.498 -0.998 1.00 0.00 C ATOM 131 O TRP A 9 3.099 -10.409 -0.467 1.00 0.00 O ATOM 132 CB TRP A 9 3.484 -9.527 -3.501 1.00 0.00 C ATOM 133 CG TRP A 9 4.072 -9.252 -4.846 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.874 -9.994 -5.977 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.866 -8.097 -5.284 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.545 -9.410 -7.037 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.175 -8.236 -6.663 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.365 -6.949 -4.626 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.976 -7.308 -7.349 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.144 -5.998 -5.311 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.466 -6.184 -6.668 1.00 0.00 C ATOM 142 H TRP A 9 4.488 -11.824 -2.744 1.00 0.00 H ATOM 143 HA TRP A 9 5.267 -8.980 -2.419 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.822 -10.392 -3.549 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.848 -8.671 -3.278 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.282 -10.895 -6.034 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.603 -9.817 -7.960 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.117 -6.802 -3.586 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.209 -7.442 -8.395 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.489 -5.119 -4.788 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.057 -5.447 -7.192 1.00 0.00 H ATOM 152 N ALA A 10 3.814 -8.263 -0.473 1.00 0.00 N ATOM 153 CA ALA A 10 3.119 -7.885 0.762 1.00 0.00 C ATOM 154 C ALA A 10 2.581 -6.442 0.650 1.00 0.00 C ATOM 155 O ALA A 10 3.308 -5.521 0.265 1.00 0.00 O ATOM 156 CB ALA A 10 4.080 -8.000 1.939 1.00 0.00 C ATOM 157 H ALA A 10 4.356 -7.555 -0.946 1.00 0.00 H ATOM 158 HA ALA A 10 2.274 -8.554 0.917 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.946 -7.359 1.772 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.594 -7.718 2.873 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.438 -9.026 2.024 1.00 0.00 H ATOM 162 N TRP A 11 1.299 -6.272 0.964 1.00 0.00 N ATOM 163 CA TRP A 11 0.614 -4.982 0.770 1.00 0.00 C ATOM 164 C TRP A 11 0.638 -4.149 2.066 1.00 0.00 C ATOM 165 O TRP A 11 0.301 -4.643 3.137 1.00 0.00 O ATOM 166 CB TRP A 11 -0.835 -5.217 0.332 1.00 0.00 C ATOM 167 CG TRP A 11 -1.660 -3.986 0.055 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.713 -3.556 0.775 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.562 -3.069 -1.080 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.272 -2.428 0.179 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.605 -2.102 -0.980 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.707 -2.971 -2.190 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.808 -1.100 -1.951 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.896 -1.984 -3.172 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.942 -1.041 -3.048 1.00 0.00 C ATOM 176 H TRP A 11 0.744 -7.053 1.283 1.00 0.00 H ATOM 177 HA TRP A 11 1.161 -4.433 0.002 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.818 -5.798 -0.589 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.336 -5.824 1.087 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.088 -4.019 1.677 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.084 -1.958 0.556 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.074 -3.706 -2.313 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.629 -0.407 -1.834 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.251 -1.962 -4.039 1.00 0.00 H ATOM 185 HH2 TRP A 11 -2.060 -0.291 -3.816 1.00 0.00 H ATOM 186 N LYS A 12 1.057 -2.880 1.945 1.00 0.00 N ATOM 187 CA LYS A 12 1.344 -2.021 3.118 1.00 0.00 C ATOM 188 C LYS A 12 0.215 -0.986 3.341 1.00 0.00 C ATOM 189 O LYS A 12 0.325 -0.100 4.189 1.00 0.00 O ATOM 190 CB LYS A 12 2.695 -1.292 2.911 1.00 0.00 C ATOM 191 CG LYS A 12 3.890 -2.212 2.588 1.00 0.00 C ATOM 192 CD LYS A 12 4.192 -3.246 3.674 1.00 0.00 C ATOM 193 CE LYS A 12 5.346 -4.146 3.206 1.00 0.00 C ATOM 194 NZ LYS A 12 5.771 -5.105 4.259 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.326 -2.536 1.034 1.00 0.00 H ATOM 196 HA LYS A 12 1.421 -2.653 4.001 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.600 -0.576 2.095 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.943 -0.728 3.810 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.684 -2.738 1.656 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.775 -1.596 2.437 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.487 -2.736 4.592 1.00 0.00 H ATOM 202 HD3 LYS A 12 3.316 -3.863 3.871 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.015 -4.704 2.329 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.186 -3.517 2.911 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.500 -5.705 3.901 1.00 0.00 H ATOM 206 HZ2 LYS A 12 6.142 -4.637 5.073 1.00 0.00 H ATOM 207 HZ3 LYS A 12 5.013 -5.699 4.559 1.00 0.00 H HETATM 208 N NH2 A 13 -0.882 -1.055 2.595 1.00 0.00 N HETATM 209 HN1 NH2 A 13 -0.992 -1.811 1.934 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -1.615 -0.372 2.721 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 4 ATOM 1 N ALA A 1 0.459 0.332 -0.800 1.00 0.00 N ATOM 2 CA ALA A 1 1.677 0.157 -1.633 1.00 0.00 C ATOM 3 C ALA A 1 2.183 -1.284 -1.554 1.00 0.00 C ATOM 4 O ALA A 1 2.098 -1.931 -0.511 1.00 0.00 O ATOM 5 CB ALA A 1 2.776 1.128 -1.167 1.00 0.00 C ATOM 6 H1 ALA A 1 0.552 0.141 0.187 1.00 0.00 H ATOM 7 H2 ALA A 1 0.110 1.274 -0.899 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.246 -0.300 -1.151 1.00 0.00 H ATOM 9 HA ALA A 1 1.432 0.378 -2.672 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.434 2.156 -1.283 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.029 0.947 -0.122 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.665 0.973 -1.777 1.00 0.00 H ATOM 13 N TRP A 2 2.715 -1.781 -2.665 1.00 0.00 N ATOM 14 CA TRP A 2 3.277 -3.143 -2.725 1.00 0.00 C ATOM 15 C TRP A 2 4.758 -3.155 -2.295 1.00 0.00 C ATOM 16 O TRP A 2 5.506 -2.207 -2.575 1.00 0.00 O ATOM 17 CB TRP A 2 3.145 -3.703 -4.150 1.00 0.00 C ATOM 18 CG TRP A 2 1.846 -4.382 -4.480 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.996 -4.055 -5.480 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.251 -5.530 -3.813 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.067 -4.947 -5.482 1.00 0.00 N ATOM 22 CE2 TRP A 2 0.037 -5.878 -4.472 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.622 -6.300 -2.687 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.761 -6.961 -4.047 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.822 -7.374 -2.245 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.364 -7.718 -2.922 1.00 0.00 C ATOM 27 H TRP A 2 2.784 -1.213 -3.497 1.00 0.00 H ATOM 28 HA TRP A 2 2.714 -3.772 -2.037 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.322 -2.908 -4.875 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.929 -4.445 -4.301 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.135 -3.233 -6.166 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.820 -4.902 -6.154 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.555 -6.079 -2.193 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.680 -7.200 -4.562 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.134 -7.964 -1.396 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.947 -8.563 -2.586 1.00 0.00 H ATOM 37 N ALA A 3 5.181 -4.260 -1.672 1.00 0.00 N ATOM 38 CA ALA A 3 6.590 -4.517 -1.401 1.00 0.00 C ATOM 39 C ALA A 3 6.930 -5.987 -1.694 1.00 0.00 C ATOM 40 O ALA A 3 6.179 -6.897 -1.318 1.00 0.00 O ATOM 41 CB ALA A 3 6.902 -4.178 0.064 1.00 0.00 C ATOM 42 H ALA A 3 4.509 -4.968 -1.414 1.00 0.00 H ATOM 43 HA ALA A 3 7.196 -3.881 -2.046 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.678 -3.132 0.270 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.295 -4.809 0.714 1.00 0.00 H ATOM 46 HB3 ALA A 3 7.956 -4.348 0.280 1.00 0.00 H ATOM 47 N TRP A 4 8.076 -6.209 -2.356 1.00 0.00 N ATOM 48 CA TRP A 4 8.554 -7.570 -2.679 1.00 0.00 C ATOM 49 C TRP A 4 9.700 -7.971 -1.734 1.00 0.00 C ATOM 50 O TRP A 4 10.790 -7.399 -1.784 1.00 0.00 O ATOM 51 CB TRP A 4 9.042 -7.616 -4.144 1.00 0.00 C ATOM 52 CG TRP A 4 9.465 -8.940 -4.714 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.704 -9.241 -5.151 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.675 -10.147 -4.921 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.728 -10.526 -5.651 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.500 -11.123 -5.561 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.337 -10.517 -4.671 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.019 -12.375 -5.943 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.847 -11.789 -5.016 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.684 -12.717 -5.669 1.00 0.00 C ATOM 61 H TRP A 4 8.649 -5.424 -2.630 1.00 0.00 H ATOM 62 HA TRP A 4 7.732 -8.276 -2.557 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.206 -7.297 -4.764 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.836 -6.880 -4.264 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.555 -8.578 -5.117 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.541 -10.948 -6.076 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.660 -9.782 -4.262 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.692 -13.064 -6.433 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.810 -12.037 -4.850 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.295 -13.687 -5.942 1.00 0.00 H ATOM 71 N GLU A 5 9.421 -8.925 -0.836 1.00 0.00 N ATOM 72 CA GLU A 5 10.351 -9.285 0.246 1.00 0.00 C ATOM 73 C GLU A 5 10.436 -10.805 0.410 1.00 0.00 C ATOM 74 O GLU A 5 9.413 -11.485 0.461 1.00 0.00 O ATOM 75 CB GLU A 5 9.892 -8.648 1.572 1.00 0.00 C ATOM 76 CG GLU A 5 9.848 -7.113 1.534 1.00 0.00 C ATOM 77 CD GLU A 5 9.544 -6.524 2.926 1.00 0.00 C ATOM 78 OE1 GLU A 5 10.480 -6.369 3.745 1.00 0.00 O1- ATOM 79 OE2 GLU A 5 8.366 -6.219 3.221 1.00 0.00 O ATOM 80 H GLU A 5 8.526 -9.392 -0.872 1.00 0.00 H ATOM 81 HA GLU A 5 11.346 -8.907 0.007 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.890 -9.008 1.803 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.577 -8.972 2.356 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.810 -6.735 1.184 1.00 0.00 H ATOM 85 HG3 GLU A 5 9.081 -6.783 0.834 1.00 0.00 H HETATM 86 N AIB A 6 11.659 -11.347 0.462 1.00 0.00 N HETATM 87 CA AIB A 6 11.938 -12.791 0.527 1.00 0.00 C HETATM 88 C AIB A 6 11.189 -13.621 -0.561 1.00 0.00 C HETATM 89 O AIB A 6 10.842 -14.787 -0.353 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.456 -12.970 0.291 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.659 -13.272 1.962 1.00 0.00 C HETATM 92 H AIB A 6 12.451 -10.721 0.424 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.721 -14.022 0.400 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.718 -12.639 -0.714 1.00 0.00 H HETATM 95 HB13 AIB A 6 14.036 -12.395 1.013 1.00 0.00 H HETATM 96 HB21 AIB A 6 12.175 -12.631 2.678 1.00 0.00 H HETATM 97 HB22 AIB A 6 10.588 -13.251 2.164 1.00 0.00 H HETATM 98 HB23 AIB A 6 12.009 -14.296 2.100 1.00 0.00 H ATOM 99 N GLY A 7 10.979 -13.005 -1.729 1.00 0.00 N ATOM 100 CA GLY A 7 10.306 -13.686 -2.843 1.00 0.00 C ATOM 101 C GLY A 7 8.773 -13.770 -2.641 1.00 0.00 C ATOM 102 O GLY A 7 8.125 -14.701 -3.137 1.00 0.00 O ATOM 103 H GLY A 7 11.337 -12.072 -1.871 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.502 -13.129 -3.760 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.707 -14.694 -2.943 1.00 0.00 H ATOM 106 N LYS A 8 8.211 -12.813 -1.881 1.00 0.00 N ATOM 107 CA LYS A 8 6.746 -12.744 -1.649 1.00 0.00 C ATOM 108 C LYS A 8 6.250 -11.290 -1.719 1.00 0.00 C ATOM 109 O LYS A 8 6.921 -10.367 -1.256 1.00 0.00 O ATOM 110 CB LYS A 8 6.405 -13.350 -0.271 1.00 0.00 C ATOM 111 CG LYS A 8 4.893 -13.565 -0.096 1.00 0.00 C ATOM 112 CD LYS A 8 4.520 -14.025 1.315 1.00 0.00 C ATOM 113 CE LYS A 8 2.993 -14.018 1.503 1.00 0.00 C ATOM 114 NZ LYS A 8 2.431 -12.640 1.569 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.801 -12.145 -1.407 1.00 0.00 H ATOM 116 HA LYS A 8 6.238 -13.322 -2.422 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.891 -14.320 -0.165 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.771 -12.694 0.520 1.00 0.00 H ATOM 119 HG2 LYS A 8 4.375 -12.625 -0.291 1.00 0.00 H ATOM 120 HG3 LYS A 8 4.538 -14.310 -0.808 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.896 -15.034 1.483 1.00 0.00 H ATOM 122 HD3 LYS A 8 4.995 -13.363 2.039 1.00 0.00 H ATOM 123 HE2 LYS A 8 2.535 -14.578 0.688 1.00 0.00 H ATOM 124 HE3 LYS A 8 2.755 -14.543 2.427 1.00 0.00 H ATOM 125 HZ1 LYS A 8 2.797 -12.133 2.361 1.00 0.00 H ATOM 126 HZ2 LYS A 8 2.622 -12.099 0.739 1.00 0.00 H ATOM 127 HZ3 LYS A 8 1.427 -12.655 1.682 1.00 0.00 H ATOM 128 N TRP A 9 5.052 -11.097 -2.292 1.00 0.00 N ATOM 129 CA TRP A 9 4.390 -9.783 -2.288 1.00 0.00 C ATOM 130 C TRP A 9 3.634 -9.548 -0.941 1.00 0.00 C ATOM 131 O TRP A 9 2.984 -10.459 -0.412 1.00 0.00 O ATOM 132 CB TRP A 9 3.381 -9.696 -3.463 1.00 0.00 C ATOM 133 CG TRP A 9 3.956 -9.401 -4.813 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.774 -10.139 -5.934 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.747 -8.230 -5.246 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.435 -9.545 -7.000 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.034 -8.361 -6.627 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.229 -7.065 -4.602 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.788 -7.411 -7.350 1.00 0.00 C ATOM 140 CZ3 TRP A 9 5.958 -6.093 -5.309 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.241 -6.259 -6.683 1.00 0.00 C ATOM 142 H TRP A 9 4.553 -11.881 -2.688 1.00 0.00 H ATOM 143 HA TRP A 9 5.143 -9.003 -2.403 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.805 -10.618 -3.527 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.660 -8.903 -3.265 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.205 -11.055 -5.980 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.501 -9.944 -7.926 1.00 0.00 H ATOM 148 HE3 TRP A 9 4.984 -6.892 -3.564 1.00 0.00 H ATOM 149 HZ2 TRP A 9 5.996 -7.556 -8.400 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.306 -5.191 -4.828 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.801 -5.502 -7.211 1.00 0.00 H ATOM 152 N ALA A 10 3.733 -8.321 -0.426 1.00 0.00 N ATOM 153 CA ALA A 10 3.007 -7.913 0.765 1.00 0.00 C ATOM 154 C ALA A 10 2.514 -6.458 0.629 1.00 0.00 C ATOM 155 O ALA A 10 3.268 -5.571 0.212 1.00 0.00 O ATOM 156 CB ALA A 10 3.913 -8.052 1.997 1.00 0.00 C ATOM 157 H ALA A 10 4.305 -7.629 -0.891 1.00 0.00 H ATOM 158 HA ALA A 10 2.140 -8.560 0.892 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.828 -7.475 1.862 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.395 -7.691 2.886 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.178 -9.099 2.138 1.00 0.00 H ATOM 162 N TRP A 11 1.228 -6.231 0.938 1.00 0.00 N ATOM 163 CA TRP A 11 0.586 -4.936 0.696 1.00 0.00 C ATOM 164 C TRP A 11 0.563 -4.099 1.987 1.00 0.00 C ATOM 165 O TRP A 11 0.041 -4.540 3.016 1.00 0.00 O ATOM 166 CB TRP A 11 -0.848 -5.150 0.180 1.00 0.00 C ATOM 167 CG TRP A 11 -1.624 -3.911 -0.128 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.668 -3.442 0.596 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.474 -2.985 -1.243 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.177 -2.300 0.002 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.498 -1.993 -1.156 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.581 -2.894 -2.324 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.621 -0.966 -2.115 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.687 -1.868 -3.282 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.719 -0.913 -3.191 1.00 0.00 C ATOM 176 H TRP A 11 0.669 -6.982 1.318 1.00 0.00 H ATOM 177 HA TRP A 11 1.159 -4.401 -0.060 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.792 -5.721 -0.747 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.407 -5.760 0.890 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.048 -3.917 1.488 1.00 0.00 H ATOM 181 HE1 TRP A 11 -3.980 -1.794 0.347 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.204 -3.632 -2.392 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.412 -0.237 -2.019 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.013 -1.832 -4.125 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.831 -0.154 -3.952 1.00 0.00 H ATOM 186 N LYS A 12 1.162 -2.903 1.926 1.00 0.00 N ATOM 187 CA LYS A 12 1.375 -2.068 3.121 1.00 0.00 C ATOM 188 C LYS A 12 0.446 -0.855 3.105 1.00 0.00 C ATOM 189 O LYS A 12 0.092 -0.343 2.045 1.00 0.00 O ATOM 190 CB LYS A 12 2.848 -1.601 3.168 1.00 0.00 C ATOM 191 CG LYS A 12 3.911 -2.684 2.928 1.00 0.00 C ATOM 192 CD LYS A 12 3.884 -3.846 3.927 1.00 0.00 C ATOM 193 CE LYS A 12 4.956 -4.906 3.619 1.00 0.00 C ATOM 194 NZ LYS A 12 6.337 -4.453 3.948 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.574 -2.594 1.057 1.00 0.00 H ATOM 196 HA LYS A 12 1.168 -2.654 4.016 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.996 -0.831 2.412 1.00 0.00 H ATOM 198 HB3 LYS A 12 3.036 -1.144 4.140 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.792 -3.090 1.923 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.892 -2.212 2.963 1.00 0.00 H ATOM 201 HD2 LYS A 12 3.998 -3.470 4.943 1.00 0.00 H ATOM 202 HD3 LYS A 12 2.915 -4.344 3.870 1.00 0.00 H ATOM 203 HE2 LYS A 12 4.721 -5.807 4.184 1.00 0.00 H ATOM 204 HE3 LYS A 12 4.882 -5.180 2.566 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.592 -3.627 3.424 1.00 0.00 H ATOM 206 HZ2 LYS A 12 6.453 -4.256 4.932 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.002 -5.171 3.700 1.00 0.00 H HETATM 208 N NH2 A 13 0.057 -0.363 4.265 1.00 0.00 N HETATM 209 HN1 NH2 A 13 0.386 -0.759 5.135 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -0.569 0.429 4.259 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 5 ATOM 1 N ALA A 1 0.340 0.328 -1.188 1.00 0.00 N ATOM 2 CA ALA A 1 1.670 0.146 -1.821 1.00 0.00 C ATOM 3 C ALA A 1 2.133 -1.312 -1.690 1.00 0.00 C ATOM 4 O ALA A 1 2.022 -1.915 -0.620 1.00 0.00 O ATOM 5 CB ALA A 1 2.697 1.085 -1.168 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.423 -0.239 -1.531 1.00 0.00 H ATOM 7 H2 ALA A 1 0.416 0.137 -0.200 1.00 0.00 H ATOM 8 H3 ALA A 1 0.059 1.291 -1.302 1.00 0.00 H ATOM 9 HA ALA A 1 1.593 0.397 -2.879 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.402 2.126 -1.305 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.786 0.874 -0.102 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.668 0.948 -1.643 1.00 0.00 H ATOM 13 N TRP A 2 2.655 -1.869 -2.787 1.00 0.00 N ATOM 14 CA TRP A 2 3.222 -3.221 -2.786 1.00 0.00 C ATOM 15 C TRP A 2 4.699 -3.199 -2.354 1.00 0.00 C ATOM 16 O TRP A 2 5.424 -2.239 -2.623 1.00 0.00 O ATOM 17 CB TRP A 2 3.104 -3.833 -4.191 1.00 0.00 C ATOM 18 CG TRP A 2 1.804 -4.502 -4.509 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.943 -4.180 -5.501 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.200 -5.636 -3.813 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.133 -5.060 -5.489 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.018 -5.986 -4.474 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.573 -6.398 -2.681 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.825 -7.051 -4.029 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.779 -7.474 -2.240 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.411 -7.802 -2.908 1.00 0.00 C ATOM 27 H TRP A 2 2.713 -1.329 -3.638 1.00 0.00 H ATOM 28 HA TRP A 2 2.661 -3.841 -2.086 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.326 -3.078 -4.945 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.869 -4.602 -4.293 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.071 -3.370 -6.204 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.902 -5.007 -6.142 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.500 -6.155 -2.182 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.750 -7.288 -4.534 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.075 -8.066 -1.386 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.999 -8.630 -2.542 1.00 0.00 H ATOM 37 N ALA A 3 5.143 -4.291 -1.719 1.00 0.00 N ATOM 38 CA ALA A 3 6.558 -4.498 -1.408 1.00 0.00 C ATOM 39 C ALA A 3 6.943 -5.973 -1.639 1.00 0.00 C ATOM 40 O ALA A 3 6.176 -6.884 -1.320 1.00 0.00 O ATOM 41 CB ALA A 3 6.843 -4.090 0.043 1.00 0.00 C ATOM 42 H ALA A 3 4.485 -5.001 -1.432 1.00 0.00 H ATOM 43 HA ALA A 3 7.162 -3.873 -2.067 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.241 -4.685 0.729 1.00 0.00 H ATOM 45 HB2 ALA A 3 7.895 -4.244 0.281 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.608 -3.035 0.189 1.00 0.00 H ATOM 47 N TRP A 4 8.136 -6.185 -2.205 1.00 0.00 N ATOM 48 CA TRP A 4 8.611 -7.536 -2.558 1.00 0.00 C ATOM 49 C TRP A 4 9.780 -7.944 -1.649 1.00 0.00 C ATOM 50 O TRP A 4 10.814 -7.267 -1.612 1.00 0.00 O ATOM 51 CB TRP A 4 9.060 -7.568 -4.028 1.00 0.00 C ATOM 52 CG TRP A 4 9.499 -8.878 -4.591 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.738 -9.145 -5.062 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.710 -10.078 -4.881 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.777 -10.415 -5.590 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.541 -11.018 -5.547 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.375 -10.459 -4.681 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.073 -12.265 -5.998 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.886 -11.716 -5.100 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.731 -12.614 -5.759 1.00 0.00 C ATOM 61 H TRP A 4 8.719 -5.395 -2.440 1.00 0.00 H ATOM 62 HA TRP A 4 7.795 -8.245 -2.424 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.218 -7.237 -4.637 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.850 -6.827 -4.155 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.552 -8.436 -5.050 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.598 -10.841 -5.997 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.705 -9.762 -4.198 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.747 -12.935 -6.512 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.849 -11.958 -4.922 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.367 -13.573 -6.093 1.00 0.00 H ATOM 71 N GLU A 5 9.595 -9.029 -0.897 1.00 0.00 N ATOM 72 CA GLU A 5 10.599 -9.492 0.078 1.00 0.00 C ATOM 73 C GLU A 5 10.499 -11.012 0.272 1.00 0.00 C ATOM 74 O GLU A 5 9.406 -11.579 0.263 1.00 0.00 O ATOM 75 CB GLU A 5 10.386 -8.781 1.436 1.00 0.00 C ATOM 76 CG GLU A 5 11.410 -9.127 2.530 1.00 0.00 C ATOM 77 CD GLU A 5 12.850 -8.794 2.110 1.00 0.00 C ATOM 78 OE1 GLU A 5 13.483 -9.636 1.425 1.00 0.00 O ATOM 79 OE2 GLU A 5 13.354 -7.696 2.447 1.00 0.00 O1- ATOM 80 H GLU A 5 8.720 -9.530 -0.953 1.00 0.00 H ATOM 81 HA GLU A 5 11.595 -9.252 -0.294 1.00 0.00 H ATOM 82 HB2 GLU A 5 10.431 -7.703 1.273 1.00 0.00 H ATOM 83 HB3 GLU A 5 9.392 -9.023 1.813 1.00 0.00 H ATOM 84 HG2 GLU A 5 11.162 -8.579 3.439 1.00 0.00 H ATOM 85 HG3 GLU A 5 11.331 -10.187 2.777 1.00 0.00 H HETATM 86 N AIB A 6 11.652 -11.680 0.439 1.00 0.00 N HETATM 87 CA AIB A 6 11.795 -13.138 0.489 1.00 0.00 C HETATM 88 C AIB A 6 11.052 -13.885 -0.663 1.00 0.00 C HETATM 89 O AIB A 6 10.602 -15.018 -0.492 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.294 -13.420 0.355 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.393 -13.618 1.903 1.00 0.00 C HETATM 92 H AIB A 6 12.494 -11.131 0.535 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.862 -12.936 1.150 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.474 -14.494 0.415 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.647 -13.049 -0.607 1.00 0.00 H HETATM 96 HB21 AIB A 6 11.935 -13.062 2.666 1.00 0.00 H HETATM 97 HB22 AIB A 6 10.324 -13.470 2.059 1.00 0.00 H HETATM 98 HB23 AIB A 6 11.612 -14.680 2.010 1.00 0.00 H ATOM 99 N GLY A 7 10.942 -13.229 -1.831 1.00 0.00 N ATOM 100 CA GLY A 7 10.238 -13.806 -2.982 1.00 0.00 C ATOM 101 C GLY A 7 8.706 -13.850 -2.799 1.00 0.00 C ATOM 102 O GLY A 7 8.036 -14.747 -3.292 1.00 0.00 O ATOM 103 H GLY A 7 11.370 -12.319 -1.930 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.475 -13.215 -3.867 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.623 -14.812 -3.145 1.00 0.00 H ATOM 106 N LYS A 8 8.171 -12.872 -2.021 1.00 0.00 N ATOM 107 CA LYS A 8 6.724 -12.794 -1.738 1.00 0.00 C ATOM 108 C LYS A 8 6.240 -11.340 -1.755 1.00 0.00 C ATOM 109 O LYS A 8 6.949 -10.440 -1.304 1.00 0.00 O ATOM 110 CB LYS A 8 6.426 -13.424 -0.366 1.00 0.00 C ATOM 111 CG LYS A 8 4.923 -13.618 -0.081 1.00 0.00 C ATOM 112 CD LYS A 8 4.657 -14.410 1.215 1.00 0.00 C ATOM 113 CE LYS A 8 5.169 -13.663 2.467 1.00 0.00 C ATOM 114 NZ LYS A 8 4.862 -14.404 3.713 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.773 -12.244 -1.509 1.00 0.00 H ATOM 116 HA LYS A 8 6.153 -13.354 -2.479 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.905 -14.403 -0.332 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.893 -12.804 0.400 1.00 0.00 H ATOM 119 HG2 LYS A 8 4.453 -12.639 0.009 1.00 0.00 H ATOM 120 HG3 LYS A 8 4.493 -14.166 -0.919 1.00 0.00 H ATOM 121 HD2 LYS A 8 3.577 -14.535 1.288 1.00 0.00 H ATOM 122 HD3 LYS A 8 5.144 -15.382 1.143 1.00 0.00 H ATOM 123 HE2 LYS A 8 6.244 -13.506 2.382 1.00 0.00 H ATOM 124 HE3 LYS A 8 4.693 -12.683 2.498 1.00 0.00 H ATOM 125 HZ1 LYS A 8 5.300 -15.313 3.738 1.00 0.00 H ATOM 126 HZ2 LYS A 8 5.172 -13.915 4.539 1.00 0.00 H ATOM 127 HZ3 LYS A 8 3.868 -14.549 3.826 1.00 0.00 H ATOM 128 N TRP A 9 5.031 -11.118 -2.287 1.00 0.00 N ATOM 129 CA TRP A 9 4.404 -9.776 -2.277 1.00 0.00 C ATOM 130 C TRP A 9 3.664 -9.530 -0.967 1.00 0.00 C ATOM 131 O TRP A 9 3.015 -10.418 -0.427 1.00 0.00 O ATOM 132 CB TRP A 9 3.421 -9.657 -3.454 1.00 0.00 C ATOM 133 CG TRP A 9 4.005 -9.329 -4.805 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.829 -10.053 -5.937 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.784 -8.148 -5.213 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.474 -9.444 -6.997 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.069 -8.254 -6.613 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.256 -6.992 -4.559 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.809 -7.287 -7.303 1.00 0.00 C ATOM 140 CZ3 TRP A 9 5.982 -6.002 -5.252 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.273 -6.154 -6.619 1.00 0.00 C ATOM 142 H TRP A 9 4.514 -11.892 -2.679 1.00 0.00 H ATOM 143 HA TRP A 9 5.177 -9.014 -2.376 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.860 -10.590 -3.519 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.707 -8.865 -3.232 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.255 -10.965 -6.011 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.510 -9.815 -7.936 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.022 -6.844 -3.515 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.007 -7.408 -8.358 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.328 -5.111 -4.750 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.826 -5.371 -7.116 1.00 0.00 H ATOM 152 N ALA A 10 3.733 -8.294 -0.475 1.00 0.00 N ATOM 153 CA ALA A 10 3.003 -7.874 0.731 1.00 0.00 C ATOM 154 C ALA A 10 2.532 -6.420 0.605 1.00 0.00 C ATOM 155 O ALA A 10 3.262 -5.556 0.114 1.00 0.00 O ATOM 156 CB ALA A 10 3.916 -8.023 1.954 1.00 0.00 C ATOM 157 H ALA A 10 4.288 -7.603 -0.958 1.00 0.00 H ATOM 158 HA ALA A 10 2.132 -8.516 0.860 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.803 -7.404 1.817 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.399 -7.707 2.860 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.223 -9.062 2.070 1.00 0.00 H ATOM 162 N TRP A 11 1.290 -6.163 1.020 1.00 0.00 N ATOM 163 CA TRP A 11 0.626 -4.870 0.780 1.00 0.00 C ATOM 164 C TRP A 11 0.530 -4.059 2.087 1.00 0.00 C ATOM 165 O TRP A 11 0.173 -4.594 3.139 1.00 0.00 O ATOM 166 CB TRP A 11 -0.774 -5.108 0.202 1.00 0.00 C ATOM 167 CG TRP A 11 -1.593 -3.885 -0.119 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.645 -3.413 0.591 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.476 -2.993 -1.267 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.187 -2.312 -0.040 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.521 -2.017 -1.204 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.619 -2.931 -2.392 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.708 -1.057 -2.208 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.797 -1.979 -3.398 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.841 -1.033 -3.312 1.00 0.00 C ATOM 176 H TRP A 11 0.743 -6.908 1.429 1.00 0.00 H ATOM 177 HA TRP A 11 1.210 -4.301 0.057 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.655 -5.657 -0.732 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.352 -5.725 0.891 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.005 -3.868 1.501 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.000 -1.815 0.294 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.151 -3.684 -2.474 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.527 -0.355 -2.141 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.148 -1.979 -4.261 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.983 -0.311 -4.102 1.00 0.00 H ATOM 186 N LYS A 12 0.850 -2.758 2.000 1.00 0.00 N ATOM 187 CA LYS A 12 0.862 -1.874 3.184 1.00 0.00 C ATOM 188 C LYS A 12 0.568 -0.419 2.786 1.00 0.00 C ATOM 189 O LYS A 12 0.638 -0.061 1.612 1.00 0.00 O ATOM 190 CB LYS A 12 2.230 -1.967 3.891 1.00 0.00 C ATOM 191 CG LYS A 12 3.438 -1.568 3.015 1.00 0.00 C ATOM 192 CD LYS A 12 4.742 -1.708 3.817 1.00 0.00 C ATOM 193 CE LYS A 12 5.946 -1.316 2.955 1.00 0.00 C ATOM 194 NZ LYS A 12 7.230 -1.426 3.701 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.144 -2.376 1.113 1.00 0.00 H ATOM 196 HA LYS A 12 0.089 -2.205 3.878 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.206 -1.340 4.782 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.375 -2.993 4.232 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.500 -2.213 2.139 1.00 0.00 H ATOM 200 HG3 LYS A 12 3.339 -0.533 2.691 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.685 -1.061 4.693 1.00 0.00 H ATOM 202 HD3 LYS A 12 4.851 -2.744 4.140 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.985 -1.963 2.079 1.00 0.00 H ATOM 204 HE3 LYS A 12 5.808 -0.294 2.599 1.00 0.00 H ATOM 205 HZ1 LYS A 12 8.013 -1.167 3.118 1.00 0.00 H ATOM 206 HZ2 LYS A 12 7.239 -0.825 4.512 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.398 -2.368 4.022 1.00 0.00 H HETATM 208 N NH2 A 13 0.254 0.432 3.748 1.00 0.00 N HETATM 209 HN1 NH2 A 13 0.187 0.114 4.705 1.00 0.00 H HETATM 210 HN2 NH2 A 13 0.033 1.387 3.508 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 6 ATOM 1 N ALA A 1 0.489 0.198 -0.412 1.00 0.00 N ATOM 2 CA ALA A 1 1.489 0.025 -1.491 1.00 0.00 C ATOM 3 C ALA A 1 2.090 -1.390 -1.449 1.00 0.00 C ATOM 4 O ALA A 1 2.077 -2.047 -0.409 1.00 0.00 O ATOM 5 CB ALA A 1 2.609 1.073 -1.332 1.00 0.00 C ATOM 6 H1 ALA A 1 0.802 0.062 0.539 1.00 0.00 H ATOM 7 H2 ALA A 1 0.107 1.130 -0.472 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.278 -0.442 -0.563 1.00 0.00 H ATOM 9 HA ALA A 1 1.001 0.170 -2.454 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.195 2.079 -1.387 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.138 0.932 -0.390 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.313 0.962 -2.158 1.00 0.00 H ATOM 13 N TRP A 2 2.627 -1.837 -2.594 1.00 0.00 N ATOM 14 CA TRP A 2 3.219 -3.176 -2.711 1.00 0.00 C ATOM 15 C TRP A 2 4.714 -3.148 -2.339 1.00 0.00 C ATOM 16 O TRP A 2 5.428 -2.192 -2.654 1.00 0.00 O ATOM 17 CB TRP A 2 3.059 -3.703 -4.148 1.00 0.00 C ATOM 18 CG TRP A 2 1.769 -4.396 -4.464 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.910 -4.108 -5.468 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.195 -5.552 -3.783 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.161 -4.991 -5.459 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.037 -5.900 -4.430 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.588 -6.333 -2.669 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.802 -6.997 -4.006 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.812 -7.430 -2.234 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.369 -7.761 -2.917 1.00 0.00 C ATOM 27 H TRP A 2 2.615 -1.248 -3.415 1.00 0.00 H ATOM 28 HA TRP A 2 2.703 -3.854 -2.031 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.225 -2.902 -4.867 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.834 -4.448 -4.336 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.031 -3.300 -6.174 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.940 -4.940 -6.098 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.529 -6.102 -2.191 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.722 -7.246 -4.513 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.113 -8.050 -1.402 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.926 -8.627 -2.593 1.00 0.00 H ATOM 37 N ALA A 3 5.190 -4.250 -1.738 1.00 0.00 N ATOM 38 CA ALA A 3 6.612 -4.476 -1.533 1.00 0.00 C ATOM 39 C ALA A 3 6.954 -5.956 -1.748 1.00 0.00 C ATOM 40 O ALA A 3 6.227 -6.845 -1.305 1.00 0.00 O ATOM 41 CB ALA A 3 6.998 -4.055 -0.109 1.00 0.00 C ATOM 42 H ALA A 3 4.545 -4.961 -1.422 1.00 0.00 H ATOM 43 HA ALA A 3 7.178 -3.881 -2.249 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.753 -3.005 0.050 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.460 -4.666 0.615 1.00 0.00 H ATOM 46 HB3 ALA A 3 8.069 -4.205 0.031 1.00 0.00 H ATOM 47 N TRP A 4 8.088 -6.211 -2.404 1.00 0.00 N ATOM 48 CA TRP A 4 8.588 -7.585 -2.588 1.00 0.00 C ATOM 49 C TRP A 4 9.657 -7.914 -1.530 1.00 0.00 C ATOM 50 O TRP A 4 10.720 -7.273 -1.482 1.00 0.00 O ATOM 51 CB TRP A 4 9.168 -7.735 -4.005 1.00 0.00 C ATOM 52 CG TRP A 4 9.638 -9.101 -4.400 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.913 -9.454 -4.647 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.842 -10.288 -4.702 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.966 -10.762 -5.083 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.709 -11.307 -5.193 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.469 -10.601 -4.640 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.252 -12.573 -5.594 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.992 -11.873 -5.033 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.877 -12.849 -5.505 1.00 0.00 C ATOM 61 H TRP A 4 8.664 -5.446 -2.728 1.00 0.00 H ATOM 62 HA TRP A 4 7.754 -8.276 -2.473 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.375 -7.482 -4.708 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.983 -7.024 -4.133 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.767 -8.802 -4.539 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.829 -11.224 -5.331 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.792 -9.850 -4.263 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.948 -13.323 -5.940 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.928 -12.043 -4.960 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.496 -13.817 -5.796 1.00 0.00 H ATOM 71 N GLU A 5 9.347 -8.871 -0.646 1.00 0.00 N ATOM 72 CA GLU A 5 10.185 -9.138 0.542 1.00 0.00 C ATOM 73 C GLU A 5 10.221 -10.642 0.855 1.00 0.00 C ATOM 74 O GLU A 5 9.184 -11.266 1.074 1.00 0.00 O ATOM 75 CB GLU A 5 9.637 -8.365 1.762 1.00 0.00 C ATOM 76 CG GLU A 5 8.097 -8.318 1.914 1.00 0.00 C ATOM 77 CD GLU A 5 7.671 -8.032 3.357 1.00 0.00 C ATOM 78 OE1 GLU A 5 7.554 -6.838 3.730 1.00 0.00 O ATOM 79 OE2 GLU A 5 7.454 -8.999 4.129 1.00 0.00 O1- ATOM 80 H GLU A 5 8.462 -9.348 -0.726 1.00 0.00 H ATOM 81 HA GLU A 5 11.202 -8.798 0.345 1.00 0.00 H ATOM 82 HB2 GLU A 5 10.069 -8.806 2.659 1.00 0.00 H ATOM 83 HB3 GLU A 5 9.993 -7.337 1.694 1.00 0.00 H ATOM 84 HG2 GLU A 5 7.703 -7.539 1.261 1.00 0.00 H ATOM 85 HG3 GLU A 5 7.653 -9.259 1.590 1.00 0.00 H HETATM 86 N AIB A 6 11.434 -11.213 0.911 1.00 0.00 N HETATM 87 CA AIB A 6 11.688 -12.642 1.118 1.00 0.00 C HETATM 88 C AIB A 6 10.921 -13.546 0.098 1.00 0.00 C HETATM 89 O AIB A 6 10.460 -14.639 0.448 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.200 -12.842 0.904 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.406 -12.987 2.596 1.00 0.00 C HETATM 92 H AIB A 6 12.247 -10.631 0.772 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.454 -13.894 1.029 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.482 -12.549 -0.107 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.768 -12.240 1.614 1.00 0.00 H HETATM 96 HB21 AIB A 6 11.733 -14.007 2.799 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.929 -12.287 3.246 1.00 0.00 H HETATM 98 HB23 AIB A 6 10.335 -12.908 2.782 1.00 0.00 H ATOM 99 N GLY A 7 10.800 -13.067 -1.146 1.00 0.00 N ATOM 100 CA GLY A 7 10.272 -13.901 -2.248 1.00 0.00 C ATOM 101 C GLY A 7 8.727 -13.975 -2.255 1.00 0.00 C ATOM 102 O GLY A 7 8.141 -14.914 -2.794 1.00 0.00 O ATOM 103 H GLY A 7 11.214 -12.176 -1.383 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.606 -13.478 -3.195 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.666 -14.913 -2.151 1.00 0.00 H ATOM 106 N LYS A 8 8.079 -12.973 -1.627 1.00 0.00 N ATOM 107 CA LYS A 8 6.612 -12.807 -1.707 1.00 0.00 C ATOM 108 C LYS A 8 6.240 -11.326 -1.824 1.00 0.00 C ATOM 109 O LYS A 8 6.996 -10.444 -1.394 1.00 0.00 O ATOM 110 CB LYS A 8 5.942 -13.412 -0.452 1.00 0.00 C ATOM 111 CG LYS A 8 6.420 -12.726 0.836 1.00 0.00 C ATOM 112 CD LYS A 8 5.723 -13.177 2.119 1.00 0.00 C ATOM 113 CE LYS A 8 5.898 -12.098 3.210 1.00 0.00 C ATOM 114 NZ LYS A 8 7.319 -11.723 3.450 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.614 -12.269 -1.139 1.00 0.00 H ATOM 116 HA LYS A 8 6.238 -13.333 -2.585 1.00 0.00 H ATOM 117 HB2 LYS A 8 4.861 -13.301 -0.536 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.183 -14.474 -0.391 1.00 0.00 H ATOM 119 HG2 LYS A 8 7.482 -12.943 0.958 1.00 0.00 H ATOM 120 HG3 LYS A 8 6.266 -11.651 0.740 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.652 -13.288 1.956 1.00 0.00 H ATOM 122 HD3 LYS A 8 6.137 -14.127 2.458 1.00 0.00 H ATOM 123 HE2 LYS A 8 5.347 -11.210 2.900 1.00 0.00 H ATOM 124 HE3 LYS A 8 5.443 -12.447 4.137 1.00 0.00 H ATOM 125 HZ1 LYS A 8 7.814 -12.455 3.939 1.00 0.00 H ATOM 126 HZ2 LYS A 8 7.796 -11.536 2.581 1.00 0.00 H ATOM 127 HZ3 LYS A 8 7.381 -10.866 3.980 1.00 0.00 H ATOM 128 N TRP A 9 5.052 -11.061 -2.363 1.00 0.00 N ATOM 129 CA TRP A 9 4.469 -9.716 -2.335 1.00 0.00 C ATOM 130 C TRP A 9 3.754 -9.477 -0.992 1.00 0.00 C ATOM 131 O TRP A 9 3.158 -10.397 -0.432 1.00 0.00 O ATOM 132 CB TRP A 9 3.474 -9.541 -3.489 1.00 0.00 C ATOM 133 CG TRP A 9 4.054 -9.301 -4.845 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.848 -10.061 -5.943 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.883 -8.182 -5.297 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.520 -9.515 -7.023 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.175 -8.362 -6.682 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.399 -7.009 -4.691 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.951 -7.457 -7.428 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.170 -6.075 -5.428 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.461 -6.303 -6.794 1.00 0.00 C ATOM 142 H TRP A 9 4.474 -11.824 -2.686 1.00 0.00 H ATOM 143 HA TRP A 9 5.266 -8.981 -2.445 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.805 -10.401 -3.520 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.871 -8.661 -3.270 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.230 -10.945 -5.986 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.532 -9.945 -7.938 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.134 -6.806 -3.665 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.146 -7.649 -8.473 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.543 -5.181 -4.951 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.054 -5.594 -7.352 1.00 0.00 H ATOM 152 N ALA A 10 3.801 -8.238 -0.519 1.00 0.00 N ATOM 153 CA ALA A 10 3.125 -7.835 0.714 1.00 0.00 C ATOM 154 C ALA A 10 2.557 -6.405 0.586 1.00 0.00 C ATOM 155 O ALA A 10 3.254 -5.485 0.144 1.00 0.00 O ATOM 156 CB ALA A 10 4.100 -7.923 1.893 1.00 0.00 C ATOM 157 H ALA A 10 4.338 -7.543 -1.017 1.00 0.00 H ATOM 158 HA ALA A 10 2.298 -8.520 0.898 1.00 0.00 H ATOM 159 HB1 ALA A 10 3.617 -7.604 2.816 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.442 -8.951 2.017 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.956 -7.275 1.709 1.00 0.00 H ATOM 162 N TRP A 11 1.271 -6.245 0.930 1.00 0.00 N ATOM 163 CA TRP A 11 0.575 -4.957 0.785 1.00 0.00 C ATOM 164 C TRP A 11 0.514 -4.230 2.136 1.00 0.00 C ATOM 165 O TRP A 11 -0.096 -4.723 3.096 1.00 0.00 O ATOM 166 CB TRP A 11 -0.841 -5.190 0.241 1.00 0.00 C ATOM 167 CG TRP A 11 -1.645 -3.965 -0.059 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.716 -3.527 0.635 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.506 -3.040 -1.175 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.239 -2.399 0.026 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.546 -2.061 -1.099 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.625 -2.936 -2.253 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.682 -1.033 -2.044 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.770 -1.926 -3.227 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.787 -0.966 -3.120 1.00 0.00 C ATOM 176 H TRP A 11 0.760 -7.022 1.321 1.00 0.00 H ATOM 177 HA TRP A 11 1.115 -4.333 0.073 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.746 -5.716 -0.710 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.403 -5.841 0.911 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.129 -4.013 1.507 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.052 -1.906 0.368 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.164 -3.666 -2.362 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.475 -0.305 -1.966 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.100 -1.902 -4.074 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.898 -0.183 -3.855 1.00 0.00 H ATOM 186 N LYS A 12 1.185 -3.076 2.217 1.00 0.00 N ATOM 187 CA LYS A 12 1.402 -2.381 3.512 1.00 0.00 C ATOM 188 C LYS A 12 1.546 -0.863 3.314 1.00 0.00 C ATOM 189 O LYS A 12 1.679 -0.382 2.186 1.00 0.00 O ATOM 190 CB LYS A 12 2.666 -2.940 4.206 1.00 0.00 C ATOM 191 CG LYS A 12 3.976 -2.736 3.428 1.00 0.00 C ATOM 192 CD LYS A 12 5.133 -3.456 4.144 1.00 0.00 C ATOM 193 CE LYS A 12 6.449 -3.237 3.393 1.00 0.00 C ATOM 194 NZ LYS A 12 7.539 -4.071 3.956 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.680 -2.730 1.407 1.00 0.00 H ATOM 196 HA LYS A 12 0.539 -2.557 4.155 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.760 -2.493 5.197 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.504 -4.009 4.349 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.880 -3.150 2.424 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.216 -1.677 3.332 1.00 0.00 H ATOM 201 HD2 LYS A 12 5.240 -3.057 5.153 1.00 0.00 H ATOM 202 HD3 LYS A 12 4.922 -4.525 4.186 1.00 0.00 H ATOM 203 HE2 LYS A 12 6.313 -3.492 2.341 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.712 -2.180 3.446 1.00 0.00 H ATOM 205 HZ1 LYS A 12 8.419 -3.882 3.499 1.00 0.00 H ATOM 206 HZ2 LYS A 12 7.665 -3.894 4.943 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.352 -5.056 3.842 1.00 0.00 H HETATM 208 N NH2 A 13 1.488 -0.098 4.395 1.00 0.00 N HETATM 209 HN1 NH2 A 13 1.354 -0.527 5.299 1.00 0.00 H HETATM 210 HN2 NH2 A 13 1.554 0.904 4.286 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 7 ATOM 1 N ALA A 1 0.343 0.235 -0.744 1.00 0.00 N ATOM 2 CA ALA A 1 1.555 0.072 -1.586 1.00 0.00 C ATOM 3 C ALA A 1 2.088 -1.356 -1.512 1.00 0.00 C ATOM 4 O ALA A 1 1.982 -2.015 -0.475 1.00 0.00 O ATOM 5 CB ALA A 1 2.645 1.064 -1.132 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.455 -0.349 -0.950 1.00 0.00 H ATOM 7 H2 ALA A 1 0.585 0.040 0.217 1.00 0.00 H ATOM 8 H3 ALA A 1 0.018 1.190 -0.794 1.00 0.00 H ATOM 9 HA ALA A 1 1.290 0.291 -2.622 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.524 0.953 -1.767 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.279 2.089 -1.193 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.948 0.862 -0.105 1.00 0.00 H ATOM 13 N TRP A 2 2.641 -1.845 -2.632 1.00 0.00 N ATOM 14 CA TRP A 2 3.233 -3.195 -2.695 1.00 0.00 C ATOM 15 C TRP A 2 4.725 -3.161 -2.323 1.00 0.00 C ATOM 16 O TRP A 2 5.428 -2.201 -2.637 1.00 0.00 O ATOM 17 CB TRP A 2 3.071 -3.765 -4.116 1.00 0.00 C ATOM 18 CG TRP A 2 1.773 -4.428 -4.422 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.899 -4.098 -5.406 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.192 -5.585 -3.743 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.168 -4.991 -5.398 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.042 -5.927 -4.391 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.567 -6.363 -2.634 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.823 -7.010 -3.977 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.769 -7.442 -2.197 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.405 -7.781 -2.878 1.00 0.00 C ATOM 27 H TRP A 2 2.693 -1.265 -3.456 1.00 0.00 H ATOM 28 HA TRP A 2 2.713 -3.847 -1.993 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.265 -2.986 -4.855 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.833 -4.526 -4.279 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.014 -3.254 -6.071 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.945 -4.948 -6.041 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.484 -6.124 -2.117 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.741 -7.243 -4.496 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.069 -8.042 -1.351 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.967 -8.647 -2.559 1.00 0.00 H ATOM 37 N ALA A 3 5.210 -4.250 -1.707 1.00 0.00 N ATOM 38 CA ALA A 3 6.643 -4.463 -1.507 1.00 0.00 C ATOM 39 C ALA A 3 7.002 -5.954 -1.712 1.00 0.00 C ATOM 40 O ALA A 3 6.236 -6.840 -1.325 1.00 0.00 O ATOM 41 CB ALA A 3 7.037 -4.020 -0.092 1.00 0.00 C ATOM 42 H ALA A 3 4.576 -4.976 -1.405 1.00 0.00 H ATOM 43 HA ALA A 3 7.193 -3.861 -2.229 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.523 -4.633 0.647 1.00 0.00 H ATOM 45 HB2 ALA A 3 8.116 -4.105 0.033 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.780 -2.972 0.059 1.00 0.00 H ATOM 47 N TRP A 4 8.161 -6.204 -2.333 1.00 0.00 N ATOM 48 CA TRP A 4 8.607 -7.570 -2.630 1.00 0.00 C ATOM 49 C TRP A 4 9.765 -7.984 -1.700 1.00 0.00 C ATOM 50 O TRP A 4 10.837 -7.375 -1.724 1.00 0.00 O ATOM 51 CB TRP A 4 9.066 -7.675 -4.098 1.00 0.00 C ATOM 52 CG TRP A 4 9.498 -9.007 -4.600 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.755 -9.346 -4.964 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.681 -10.185 -4.845 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.765 -10.642 -5.437 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.502 -11.203 -5.428 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.320 -10.489 -4.666 1.00 0.00 C ATOM 58 CZ2 TRP A 4 8.988 -12.444 -5.854 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.799 -11.743 -5.060 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.615 -12.712 -5.661 1.00 0.00 C ATOM 61 H TRP A 4 8.756 -5.437 -2.610 1.00 0.00 H ATOM 62 HA TRP A 4 7.771 -8.254 -2.479 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.233 -7.341 -4.715 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.846 -6.931 -4.261 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.599 -8.675 -4.915 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.605 -11.101 -5.758 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.632 -9.730 -4.323 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.622 -13.181 -6.324 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.754 -11.982 -4.922 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.202 -13.658 -5.980 1.00 0.00 H ATOM 71 N GLU A 5 9.519 -8.998 -0.870 1.00 0.00 N ATOM 72 CA GLU A 5 10.484 -9.417 0.160 1.00 0.00 C ATOM 73 C GLU A 5 10.325 -10.921 0.472 1.00 0.00 C ATOM 74 O GLU A 5 9.230 -11.470 0.381 1.00 0.00 O ATOM 75 CB GLU A 5 10.269 -8.593 1.452 1.00 0.00 C ATOM 76 CG GLU A 5 8.907 -8.780 2.150 1.00 0.00 C ATOM 77 CD GLU A 5 8.736 -7.798 3.320 1.00 0.00 C ATOM 78 OE1 GLU A 5 9.486 -7.890 4.317 1.00 0.00 O1- ATOM 79 OE2 GLU A 5 7.863 -6.897 3.254 1.00 0.00 O ATOM 80 H GLU A 5 8.624 -9.466 -0.907 1.00 0.00 H ATOM 81 HA GLU A 5 11.495 -9.241 -0.206 1.00 0.00 H ATOM 82 HB2 GLU A 5 11.050 -8.844 2.170 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.401 -7.539 1.206 1.00 0.00 H ATOM 84 HG2 GLU A 5 8.109 -8.639 1.422 1.00 0.00 H ATOM 85 HG3 GLU A 5 8.848 -9.798 2.535 1.00 0.00 H HETATM 86 N AIB A 6 11.422 -11.616 0.794 1.00 0.00 N HETATM 87 CA AIB A 6 11.497 -13.081 0.921 1.00 0.00 C HETATM 88 C AIB A 6 10.802 -13.852 -0.253 1.00 0.00 C HETATM 89 O AIB A 6 10.249 -14.940 -0.055 1.00 0.00 O HETATM 90 CB1 AIB A 6 12.996 -13.429 0.891 1.00 0.00 C HETATM 91 CB2 AIB A 6 10.952 -13.480 2.315 1.00 0.00 C HETATM 92 H AIB A 6 12.289 -11.110 0.898 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.526 -12.904 1.686 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.128 -14.504 1.016 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.435 -13.151 -0.067 1.00 0.00 H HETATM 96 HB21 AIB A 6 11.056 -14.553 2.471 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.490 -12.962 3.109 1.00 0.00 H HETATM 98 HB23 AIB A 6 9.899 -13.210 2.406 1.00 0.00 H ATOM 99 N GLY A 7 10.832 -13.254 -1.463 1.00 0.00 N ATOM 100 CA GLY A 7 10.222 -13.881 -2.648 1.00 0.00 C ATOM 101 C GLY A 7 8.683 -13.862 -2.592 1.00 0.00 C ATOM 102 O GLY A 7 8.025 -14.719 -3.186 1.00 0.00 O ATOM 103 H GLY A 7 11.333 -12.385 -1.580 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.550 -13.343 -3.537 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.558 -14.917 -2.715 1.00 0.00 H ATOM 106 N LYS A 8 8.117 -12.904 -1.838 1.00 0.00 N ATOM 107 CA LYS A 8 6.662 -12.787 -1.671 1.00 0.00 C ATOM 108 C LYS A 8 6.228 -11.316 -1.751 1.00 0.00 C ATOM 109 O LYS A 8 6.960 -10.421 -1.318 1.00 0.00 O ATOM 110 CB LYS A 8 6.240 -13.377 -0.302 1.00 0.00 C ATOM 111 CG LYS A 8 6.389 -14.905 -0.207 1.00 0.00 C ATOM 112 CD LYS A 8 6.103 -15.446 1.196 1.00 0.00 C ATOM 113 CE LYS A 8 7.150 -14.991 2.223 1.00 0.00 C ATOM 114 NZ LYS A 8 6.934 -15.627 3.558 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.704 -12.267 -1.318 1.00 0.00 H ATOM 116 HA LYS A 8 6.168 -13.342 -2.468 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.849 -12.921 0.478 1.00 0.00 H ATOM 118 HB3 LYS A 8 5.203 -13.110 -0.101 1.00 0.00 H ATOM 119 HG2 LYS A 8 5.703 -15.378 -0.910 1.00 0.00 H ATOM 120 HG3 LYS A 8 7.406 -15.193 -0.474 1.00 0.00 H ATOM 121 HD2 LYS A 8 5.113 -15.119 1.515 1.00 0.00 H ATOM 122 HD3 LYS A 8 6.107 -16.534 1.138 1.00 0.00 H ATOM 123 HE2 LYS A 8 8.134 -15.268 1.848 1.00 0.00 H ATOM 124 HE3 LYS A 8 7.091 -13.906 2.318 1.00 0.00 H ATOM 125 HZ1 LYS A 8 6.991 -16.634 3.507 1.00 0.00 H ATOM 126 HZ2 LYS A 8 7.613 -15.302 4.231 1.00 0.00 H ATOM 127 HZ3 LYS A 8 6.021 -15.392 3.921 1.00 0.00 H ATOM 128 N TRP A 9 5.033 -11.085 -2.286 1.00 0.00 N ATOM 129 CA TRP A 9 4.412 -9.739 -2.272 1.00 0.00 C ATOM 130 C TRP A 9 3.697 -9.482 -0.949 1.00 0.00 C ATOM 131 O TRP A 9 3.061 -10.384 -0.389 1.00 0.00 O ATOM 132 CB TRP A 9 3.417 -9.609 -3.437 1.00 0.00 C ATOM 133 CG TRP A 9 3.971 -9.320 -4.799 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.738 -10.031 -5.932 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.751 -8.158 -5.239 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.363 -9.441 -7.010 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.007 -8.279 -6.640 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.274 -7.022 -4.592 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.736 -7.321 -7.363 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.000 -6.045 -5.305 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.261 -6.210 -6.682 1.00 0.00 C ATOM 142 H TRP A 9 4.454 -11.862 -2.570 1.00 0.00 H ATOM 143 HA TRP A 9 5.197 -8.994 -2.402 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.775 -10.489 -3.476 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.756 -8.767 -3.224 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.095 -10.899 -5.975 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.360 -9.807 -7.950 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.088 -6.883 -3.536 1.00 0.00 H ATOM 149 HZ2 TRP A 9 5.897 -7.449 -8.422 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.370 -5.168 -4.794 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.809 -5.451 -7.219 1.00 0.00 H ATOM 152 N ALA A 10 3.755 -8.230 -0.480 1.00 0.00 N ATOM 153 CA ALA A 10 3.082 -7.825 0.767 1.00 0.00 C ATOM 154 C ALA A 10 2.513 -6.394 0.636 1.00 0.00 C ATOM 155 O ALA A 10 3.241 -5.451 0.306 1.00 0.00 O ATOM 156 CB ALA A 10 4.077 -7.895 1.929 1.00 0.00 C ATOM 157 H ALA A 10 4.272 -7.532 -0.996 1.00 0.00 H ATOM 158 HA ALA A 10 2.255 -8.506 0.968 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.916 -7.220 1.757 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.578 -7.619 2.859 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.452 -8.913 2.027 1.00 0.00 H ATOM 162 N TRP A 11 1.200 -6.257 0.870 1.00 0.00 N ATOM 163 CA TRP A 11 0.511 -4.967 0.733 1.00 0.00 C ATOM 164 C TRP A 11 0.503 -4.212 2.079 1.00 0.00 C ATOM 165 O TRP A 11 0.077 -4.751 3.104 1.00 0.00 O ATOM 166 CB TRP A 11 -0.925 -5.205 0.243 1.00 0.00 C ATOM 167 CG TRP A 11 -1.726 -3.977 -0.073 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.819 -3.535 0.603 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.554 -3.061 -1.206 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.322 -2.415 -0.024 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.591 -2.094 -1.149 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.635 -2.969 -2.262 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.713 -1.067 -2.100 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.763 -1.962 -3.250 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.794 -1.019 -3.171 1.00 0.00 C ATOM 176 H TRP A 11 0.664 -7.061 1.164 1.00 0.00 H ATOM 177 HA TRP A 11 1.038 -4.363 -0.004 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.864 -5.778 -0.682 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.478 -5.795 0.975 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.226 -4.018 1.478 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.122 -1.903 0.319 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.149 -3.704 -2.367 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.526 -0.358 -2.047 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.056 -1.953 -4.067 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.890 -0.262 -3.936 1.00 0.00 H ATOM 186 N LYS A 12 0.985 -2.961 2.059 1.00 0.00 N ATOM 187 CA LYS A 12 1.269 -2.205 3.307 1.00 0.00 C ATOM 188 C LYS A 12 1.128 -0.689 3.088 1.00 0.00 C ATOM 189 O LYS A 12 1.086 -0.217 1.957 1.00 0.00 O ATOM 190 CB LYS A 12 2.693 -2.529 3.800 1.00 0.00 C ATOM 191 CG LYS A 12 3.812 -2.227 2.780 1.00 0.00 C ATOM 192 CD LYS A 12 5.214 -2.563 3.330 1.00 0.00 C ATOM 193 CE LYS A 12 5.474 -4.072 3.360 1.00 0.00 C ATOM 194 NZ LYS A 12 6.834 -4.383 3.872 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.296 -2.567 1.181 1.00 0.00 H ATOM 196 HA LYS A 12 0.556 -2.514 4.070 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.911 -1.994 4.725 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.730 -3.592 4.037 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.641 -2.790 1.862 1.00 0.00 H ATOM 200 HG3 LYS A 12 3.783 -1.162 2.549 1.00 0.00 H ATOM 201 HD2 LYS A 12 5.960 -2.091 2.691 1.00 0.00 H ATOM 202 HD3 LYS A 12 5.313 -2.157 4.336 1.00 0.00 H ATOM 203 HE2 LYS A 12 4.727 -4.556 3.988 1.00 0.00 H ATOM 204 HE3 LYS A 12 5.367 -4.450 2.343 1.00 0.00 H ATOM 205 HZ1 LYS A 12 7.556 -3.866 3.390 1.00 0.00 H ATOM 206 HZ2 LYS A 12 6.911 -4.206 4.864 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.063 -5.356 3.722 1.00 0.00 H HETATM 208 N NH2 A 13 1.033 0.068 4.166 1.00 0.00 N HETATM 209 HN1 NH2 A 13 1.051 -0.366 5.079 1.00 0.00 H HETATM 210 HN2 NH2 A 13 0.928 1.066 4.051 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 8 ATOM 1 N ALA A 1 0.316 0.408 -1.060 1.00 0.00 N ATOM 2 CA ALA A 1 1.509 0.169 -1.904 1.00 0.00 C ATOM 3 C ALA A 1 2.032 -1.266 -1.717 1.00 0.00 C ATOM 4 O ALA A 1 1.893 -1.849 -0.643 1.00 0.00 O ATOM 5 CB ALA A 1 2.614 1.179 -1.547 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.494 -0.171 -1.235 1.00 0.00 H ATOM 7 H2 ALA A 1 0.568 0.281 -0.090 1.00 0.00 H ATOM 8 H3 ALA A 1 0.027 1.369 -1.173 1.00 0.00 H ATOM 9 HA ALA A 1 1.236 0.310 -2.950 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.483 1.022 -2.186 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.259 2.202 -1.679 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.934 1.054 -0.513 1.00 0.00 H ATOM 13 N TRP A 2 2.646 -1.816 -2.771 1.00 0.00 N ATOM 14 CA TRP A 2 3.218 -3.174 -2.735 1.00 0.00 C ATOM 15 C TRP A 2 4.708 -3.137 -2.346 1.00 0.00 C ATOM 16 O TRP A 2 5.426 -2.187 -2.688 1.00 0.00 O ATOM 17 CB TRP A 2 3.061 -3.832 -4.116 1.00 0.00 C ATOM 18 CG TRP A 2 1.741 -4.467 -4.401 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.865 -4.146 -5.386 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.155 -5.596 -3.696 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.209 -5.024 -5.351 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.072 -5.960 -4.345 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.554 -6.370 -2.585 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.847 -7.047 -3.911 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.778 -7.469 -2.142 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.410 -7.807 -2.809 1.00 0.00 C ATOM 27 H TRP A 2 2.730 -1.288 -3.628 1.00 0.00 H ATOM 28 HA TRP A 2 2.679 -3.770 -1.996 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.288 -3.115 -4.905 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.806 -4.622 -4.222 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.002 -3.339 -6.091 1.00 0.00 H ATOM 32 HE1 TRP A 2 -1.013 -4.957 -5.959 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.488 -6.119 -2.105 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.775 -7.295 -4.404 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.108 -8.078 -1.313 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.978 -8.652 -2.449 1.00 0.00 H ATOM 37 N ALA A 3 5.184 -4.226 -1.732 1.00 0.00 N ATOM 38 CA ALA A 3 6.618 -4.441 -1.509 1.00 0.00 C ATOM 39 C ALA A 3 6.981 -5.921 -1.679 1.00 0.00 C ATOM 40 O ALA A 3 6.254 -6.804 -1.226 1.00 0.00 O ATOM 41 CB ALA A 3 7.000 -3.966 -0.110 1.00 0.00 C ATOM 42 H ALA A 3 4.544 -4.958 -1.458 1.00 0.00 H ATOM 43 HA ALA A 3 7.184 -3.863 -2.240 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.475 -4.567 0.631 1.00 0.00 H ATOM 45 HB2 ALA A 3 8.076 -4.072 0.033 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.736 -2.916 0.012 1.00 0.00 H ATOM 47 N TRP A 4 8.119 -6.182 -2.345 1.00 0.00 N ATOM 48 CA TRP A 4 8.599 -7.554 -2.596 1.00 0.00 C ATOM 49 C TRP A 4 9.668 -7.937 -1.565 1.00 0.00 C ATOM 50 O TRP A 4 10.728 -7.322 -1.500 1.00 0.00 O ATOM 51 CB TRP A 4 9.171 -7.645 -4.017 1.00 0.00 C ATOM 52 CG TRP A 4 9.635 -8.998 -4.485 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.902 -9.317 -4.825 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.842 -10.190 -4.754 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.953 -10.621 -5.301 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.699 -11.188 -5.305 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.478 -10.520 -4.627 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.213 -12.438 -5.707 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.986 -11.788 -5.026 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.859 -12.748 -5.555 1.00 0.00 C ATOM 61 H TRP A 4 8.694 -5.416 -2.664 1.00 0.00 H ATOM 62 HA TRP A 4 7.760 -8.244 -2.511 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.405 -7.361 -4.738 1.00 0.00 H ATOM 64 HB3 TRP A 4 10.010 -6.954 -4.105 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.749 -8.650 -4.767 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.812 -11.072 -5.583 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.802 -9.794 -4.200 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.897 -13.165 -6.119 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.936 -12.018 -4.924 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.481 -13.710 -5.868 1.00 0.00 H ATOM 71 N GLU A 5 9.353 -8.934 -0.739 1.00 0.00 N ATOM 72 CA GLU A 5 10.182 -9.273 0.433 1.00 0.00 C ATOM 73 C GLU A 5 10.226 -10.794 0.636 1.00 0.00 C ATOM 74 O GLU A 5 9.195 -11.466 0.616 1.00 0.00 O ATOM 75 CB GLU A 5 9.602 -8.604 1.702 1.00 0.00 C ATOM 76 CG GLU A 5 9.627 -7.068 1.673 1.00 0.00 C ATOM 77 CD GLU A 5 9.182 -6.466 3.020 1.00 0.00 C ATOM 78 OE1 GLU A 5 10.026 -6.357 3.937 1.00 0.00 O ATOM 79 OE2 GLU A 5 8.001 -6.076 3.161 1.00 0.00 O1- ATOM 80 H GLU A 5 8.474 -9.416 -0.854 1.00 0.00 H ATOM 81 HA GLU A 5 11.198 -8.909 0.277 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.569 -8.924 1.838 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.191 -8.929 2.559 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.646 -6.751 1.451 1.00 0.00 H ATOM 85 HG3 GLU A 5 8.987 -6.708 0.868 1.00 0.00 H HETATM 86 N AIB A 6 11.426 -11.355 0.816 1.00 0.00 N HETATM 87 CA AIB A 6 11.677 -12.804 0.941 1.00 0.00 C HETATM 88 C AIB A 6 11.003 -13.680 -0.168 1.00 0.00 C HETATM 89 O AIB A 6 10.642 -14.844 0.071 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.198 -12.975 0.811 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.309 -13.236 2.375 1.00 0.00 C HETATM 92 H AIB A 6 12.243 -10.763 0.853 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.695 -12.432 1.615 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.478 -14.026 0.886 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.556 -12.589 -0.143 1.00 0.00 H HETATM 96 HB21 AIB A 6 10.229 -13.206 2.507 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.638 -14.260 2.555 1.00 0.00 H HETATM 98 HB23 AIB A 6 11.787 -12.580 3.102 1.00 0.00 H ATOM 99 N GLY A 7 10.848 -13.099 -1.372 1.00 0.00 N ATOM 100 CA GLY A 7 10.301 -13.848 -2.525 1.00 0.00 C ATOM 101 C GLY A 7 8.763 -13.949 -2.497 1.00 0.00 C ATOM 102 O GLY A 7 8.185 -14.860 -3.101 1.00 0.00 O ATOM 103 H GLY A 7 11.196 -12.163 -1.520 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.611 -13.353 -3.446 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.721 -14.854 -2.520 1.00 0.00 H ATOM 106 N LYS A 8 8.105 -13.000 -1.795 1.00 0.00 N ATOM 107 CA LYS A 8 6.636 -12.863 -1.849 1.00 0.00 C ATOM 108 C LYS A 8 6.222 -11.387 -1.767 1.00 0.00 C ATOM 109 O LYS A 8 6.937 -10.554 -1.206 1.00 0.00 O ATOM 110 CB LYS A 8 5.992 -13.654 -0.693 1.00 0.00 C ATOM 111 CG LYS A 8 6.517 -13.316 0.709 1.00 0.00 C ATOM 112 CD LYS A 8 5.753 -14.087 1.795 1.00 0.00 C ATOM 113 CE LYS A 8 6.330 -13.750 3.176 1.00 0.00 C ATOM 114 NZ LYS A 8 5.643 -14.521 4.246 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.629 -12.312 -1.274 1.00 0.00 H ATOM 116 HA LYS A 8 6.280 -13.269 -2.796 1.00 0.00 H ATOM 117 HB2 LYS A 8 4.915 -13.494 -0.720 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.176 -14.716 -0.854 1.00 0.00 H ATOM 119 HG2 LYS A 8 7.568 -13.592 0.788 1.00 0.00 H ATOM 120 HG3 LYS A 8 6.417 -12.249 0.909 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.704 -13.792 1.760 1.00 0.00 H ATOM 122 HD3 LYS A 8 5.847 -15.159 1.620 1.00 0.00 H ATOM 123 HE2 LYS A 8 7.395 -13.984 3.163 1.00 0.00 H ATOM 124 HE3 LYS A 8 6.217 -12.681 3.357 1.00 0.00 H ATOM 125 HZ1 LYS A 8 5.776 -15.515 4.127 1.00 0.00 H ATOM 126 HZ2 LYS A 8 6.005 -14.272 5.155 1.00 0.00 H ATOM 127 HZ3 LYS A 8 4.646 -14.359 4.240 1.00 0.00 H ATOM 128 N TRP A 9 5.064 -11.067 -2.351 1.00 0.00 N ATOM 129 CA TRP A 9 4.490 -9.712 -2.264 1.00 0.00 C ATOM 130 C TRP A 9 3.771 -9.500 -0.928 1.00 0.00 C ATOM 131 O TRP A 9 3.185 -10.427 -0.368 1.00 0.00 O ATOM 132 CB TRP A 9 3.503 -9.483 -3.435 1.00 0.00 C ATOM 133 CG TRP A 9 4.090 -9.232 -4.795 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.865 -9.985 -5.903 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.917 -8.117 -5.247 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.558 -9.456 -6.976 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.202 -8.292 -6.636 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.409 -6.931 -4.640 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.976 -7.372 -7.369 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.194 -6.003 -5.359 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.482 -6.222 -6.717 1.00 0.00 C ATOM 142 H TRP A 9 4.508 -11.793 -2.778 1.00 0.00 H ATOM 143 HA TRP A 9 5.291 -8.976 -2.334 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.805 -10.320 -3.452 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.936 -8.585 -3.190 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.239 -10.865 -5.927 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.568 -9.875 -7.894 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.169 -6.729 -3.606 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.185 -7.535 -8.416 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.552 -5.114 -4.859 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.072 -5.501 -7.263 1.00 0.00 H ATOM 152 N ALA A 10 3.783 -8.250 -0.439 1.00 0.00 N ATOM 153 CA ALA A 10 3.052 -7.881 0.770 1.00 0.00 C ATOM 154 C ALA A 10 2.527 -6.431 0.661 1.00 0.00 C ATOM 155 O ALA A 10 3.257 -5.521 0.256 1.00 0.00 O ATOM 156 CB ALA A 10 3.966 -8.011 1.995 1.00 0.00 C ATOM 157 H ALA A 10 4.285 -7.527 -0.935 1.00 0.00 H ATOM 158 HA ALA A 10 2.202 -8.552 0.887 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.801 -7.316 1.906 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.402 -7.784 2.900 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.349 -9.029 2.066 1.00 0.00 H ATOM 162 N TRP A 11 1.248 -6.243 1.005 1.00 0.00 N ATOM 163 CA TRP A 11 0.550 -4.970 0.771 1.00 0.00 C ATOM 164 C TRP A 11 0.508 -4.134 2.062 1.00 0.00 C ATOM 165 O TRP A 11 0.159 -4.653 3.135 1.00 0.00 O ATOM 166 CB TRP A 11 -0.877 -5.236 0.285 1.00 0.00 C ATOM 167 CG TRP A 11 -1.716 -4.039 -0.045 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.825 -3.653 0.623 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.603 -3.119 -1.168 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.402 -2.579 -0.004 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.697 -2.211 -1.139 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.706 -3.002 -2.255 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.882 -1.238 -2.117 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.888 -2.020 -3.246 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.978 -1.135 -3.190 1.00 0.00 C ATOM 176 H TRP A 11 0.698 -7.014 1.358 1.00 0.00 H ATOM 177 HA TRP A 11 1.085 -4.411 0.003 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.824 -5.827 -0.629 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.408 -5.829 1.031 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.221 -4.149 1.496 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.256 -2.120 0.279 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.099 -3.719 -2.317 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.721 -0.559 -2.073 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.201 -1.997 -4.079 1.00 0.00 H ATOM 185 HH2 TRP A 11 -2.117 -0.405 -3.973 1.00 0.00 H ATOM 186 N LYS A 12 0.902 -2.850 1.957 1.00 0.00 N ATOM 187 CA LYS A 12 1.106 -1.987 3.137 1.00 0.00 C ATOM 188 C LYS A 12 -0.126 -1.086 3.393 1.00 0.00 C ATOM 189 O LYS A 12 -0.122 -0.277 4.316 1.00 0.00 O ATOM 190 CB LYS A 12 2.359 -1.113 2.929 1.00 0.00 C ATOM 191 CG LYS A 12 3.651 -1.879 2.566 1.00 0.00 C ATOM 192 CD LYS A 12 4.087 -2.919 3.609 1.00 0.00 C ATOM 193 CE LYS A 12 5.379 -3.592 3.160 1.00 0.00 C ATOM 194 NZ LYS A 12 5.892 -4.564 4.172 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.179 -2.491 1.055 1.00 0.00 H ATOM 196 HA LYS A 12 1.255 -2.622 4.011 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.154 -0.394 2.137 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.545 -0.540 3.838 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.520 -2.374 1.604 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.463 -1.162 2.447 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.245 -2.390 4.550 1.00 0.00 H ATOM 202 HD3 LYS A 12 3.311 -3.676 3.728 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.175 -4.116 2.225 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.130 -2.827 2.960 1.00 0.00 H ATOM 205 HZ1 LYS A 12 5.184 -5.235 4.437 1.00 0.00 H ATOM 206 HZ2 LYS A 12 6.676 -5.081 3.799 1.00 0.00 H ATOM 207 HZ3 LYS A 12 6.219 -4.101 5.007 1.00 0.00 H HETATM 208 N NH2 A 13 -1.184 -1.198 2.599 1.00 0.00 N HETATM 209 HN1 NH2 A 13 -2.002 -0.635 2.784 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -1.186 -1.885 1.859 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 9 ATOM 1 N ALA A 1 0.329 0.427 -1.101 1.00 0.00 N ATOM 2 CA ALA A 1 1.502 0.194 -1.983 1.00 0.00 C ATOM 3 C ALA A 1 2.041 -1.234 -1.803 1.00 0.00 C ATOM 4 O ALA A 1 1.948 -1.810 -0.717 1.00 0.00 O ATOM 5 CB ALA A 1 2.612 1.219 -1.677 1.00 0.00 C ATOM 6 H1 ALA A 1 0.454 0.273 -0.110 1.00 0.00 H ATOM 7 H2 ALA A 1 0.000 1.372 -1.233 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.411 -0.203 -1.379 1.00 0.00 H ATOM 9 HA ALA A 1 1.189 0.318 -3.019 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.005 1.079 -0.669 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.435 1.091 -2.379 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.220 2.230 -1.781 1.00 0.00 H ATOM 13 N TRP A 2 2.602 -1.806 -2.873 1.00 0.00 N ATOM 14 CA TRP A 2 3.169 -3.160 -2.821 1.00 0.00 C ATOM 15 C TRP A 2 4.641 -3.121 -2.380 1.00 0.00 C ATOM 16 O TRP A 2 5.365 -2.165 -2.680 1.00 0.00 O ATOM 17 CB TRP A 2 3.059 -3.822 -4.206 1.00 0.00 C ATOM 18 CG TRP A 2 1.768 -4.532 -4.488 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.903 -4.257 -5.490 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.200 -5.653 -3.749 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.132 -5.179 -5.457 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.007 -6.062 -4.404 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.582 -6.370 -2.592 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.777 -7.143 -3.945 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.815 -7.465 -2.132 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.348 -7.858 -2.801 1.00 0.00 C ATOM 27 H TRP A 2 2.677 -1.292 -3.739 1.00 0.00 H ATOM 28 HA TRP A 2 2.601 -3.752 -2.102 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.245 -3.088 -4.990 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.833 -4.585 -4.286 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.017 -3.471 -6.220 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.885 -5.190 -6.127 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.494 -6.076 -2.093 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.694 -7.413 -4.447 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.122 -8.013 -1.252 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.882 -8.717 -2.420 1.00 0.00 H ATOM 37 N ALA A 3 5.098 -4.204 -1.726 1.00 0.00 N ATOM 38 CA ALA A 3 6.531 -4.417 -1.462 1.00 0.00 C ATOM 39 C ALA A 3 6.892 -5.907 -1.621 1.00 0.00 C ATOM 40 O ALA A 3 6.134 -6.785 -1.203 1.00 0.00 O ATOM 41 CB ALA A 3 6.860 -3.942 -0.040 1.00 0.00 C ATOM 42 H ALA A 3 4.459 -4.947 -1.483 1.00 0.00 H ATOM 43 HA ALA A 3 7.114 -3.836 -2.176 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.532 -2.910 0.080 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.343 -4.561 0.693 1.00 0.00 H ATOM 46 HB3 ALA A 3 7.934 -4.003 0.134 1.00 0.00 H ATOM 47 N TRP A 4 8.046 -6.166 -2.251 1.00 0.00 N ATOM 48 CA TRP A 4 8.532 -7.537 -2.472 1.00 0.00 C ATOM 49 C TRP A 4 9.571 -7.917 -1.409 1.00 0.00 C ATOM 50 O TRP A 4 10.626 -7.282 -1.300 1.00 0.00 O ATOM 51 CB TRP A 4 9.145 -7.651 -3.886 1.00 0.00 C ATOM 52 CG TRP A 4 9.639 -9.001 -4.335 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.933 -9.295 -4.603 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.882 -10.194 -4.681 1.00 0.00 C ATOM 55 NE1 TRP A 4 11.021 -10.579 -5.099 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.780 -11.162 -5.227 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.509 -10.541 -4.667 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.347 -12.410 -5.715 1.00 0.00 C ATOM 59 CZ3 TRP A 4 7.066 -11.795 -5.144 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.984 -12.719 -5.666 1.00 0.00 C ATOM 61 H TRP A 4 8.631 -5.402 -2.557 1.00 0.00 H ATOM 62 HA TRP A 4 7.693 -8.227 -2.397 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.367 -7.409 -4.610 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.963 -6.934 -3.967 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.762 -8.611 -4.487 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.895 -10.993 -5.392 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.795 -9.805 -4.329 1.00 0.00 H ATOM 68 HZ2 TRP A 4 10.062 -13.124 -6.098 1.00 0.00 H ATOM 69 HZ3 TRP A 4 6.011 -12.033 -5.136 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.636 -13.672 -6.034 1.00 0.00 H ATOM 71 N GLU A 5 9.232 -8.913 -0.589 1.00 0.00 N ATOM 72 CA GLU A 5 10.020 -9.241 0.615 1.00 0.00 C ATOM 73 C GLU A 5 10.184 -10.766 0.759 1.00 0.00 C ATOM 74 O GLU A 5 9.202 -11.505 0.843 1.00 0.00 O ATOM 75 CB GLU A 5 9.333 -8.671 1.863 1.00 0.00 C ATOM 76 CG GLU A 5 9.243 -7.134 1.885 1.00 0.00 C ATOM 77 CD GLU A 5 8.474 -6.668 3.140 1.00 0.00 C ATOM 78 OE1 GLU A 5 9.082 -6.506 4.219 1.00 0.00 O ATOM 79 OE2 GLU A 5 7.244 -6.450 3.041 1.00 0.00 O1- ATOM 80 H GLU A 5 8.359 -9.400 -0.729 1.00 0.00 H ATOM 81 HA GLU A 5 11.009 -8.791 0.523 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.319 -9.064 1.946 1.00 0.00 H ATOM 83 HB3 GLU A 5 9.895 -8.994 2.739 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.250 -6.718 1.880 1.00 0.00 H ATOM 85 HG3 GLU A 5 8.713 -6.789 0.997 1.00 0.00 H HETATM 86 N AIB A 6 11.440 -11.234 0.771 1.00 0.00 N HETATM 87 CA AIB A 6 11.831 -12.647 0.839 1.00 0.00 C HETATM 88 C AIB A 6 11.063 -13.542 -0.195 1.00 0.00 C HETATM 89 O AIB A 6 10.709 -14.686 0.106 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.331 -12.697 0.517 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.678 -13.125 2.294 1.00 0.00 C HETATM 92 H AIB A 6 12.198 -10.571 0.702 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.693 -13.721 0.601 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.512 -12.345 -0.498 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.901 -12.074 1.205 1.00 0.00 H HETATM 96 HB21 AIB A 6 12.052 -14.146 2.373 1.00 0.00 H HETATM 97 HB22 AIB A 6 12.249 -12.493 2.973 1.00 0.00 H HETATM 98 HB23 AIB A 6 10.628 -13.116 2.587 1.00 0.00 H ATOM 99 N GLY A 7 10.851 -13.001 -1.401 1.00 0.00 N ATOM 100 CA GLY A 7 10.324 -13.805 -2.516 1.00 0.00 C ATOM 101 C GLY A 7 8.791 -13.919 -2.514 1.00 0.00 C ATOM 102 O GLY A 7 8.235 -14.843 -3.123 1.00 0.00 O ATOM 103 H GLY A 7 11.206 -12.076 -1.599 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.690 -13.403 -3.460 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.796 -14.787 -2.534 1.00 0.00 H ATOM 106 N LYS A 8 8.112 -12.987 -1.826 1.00 0.00 N ATOM 107 CA LYS A 8 6.637 -12.852 -1.914 1.00 0.00 C ATOM 108 C LYS A 8 6.222 -11.370 -1.843 1.00 0.00 C ATOM 109 O LYS A 8 6.944 -10.545 -1.290 1.00 0.00 O ATOM 110 CB LYS A 8 5.961 -13.638 -0.765 1.00 0.00 C ATOM 111 CG LYS A 8 6.418 -13.231 0.638 1.00 0.00 C ATOM 112 CD LYS A 8 5.704 -14.016 1.752 1.00 0.00 C ATOM 113 CE LYS A 8 6.052 -13.470 3.141 1.00 0.00 C ATOM 114 NZ LYS A 8 7.505 -13.532 3.437 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.619 -12.294 -1.295 1.00 0.00 H ATOM 116 HA LYS A 8 6.297 -13.266 -2.864 1.00 0.00 H ATOM 117 HB2 LYS A 8 4.882 -13.496 -0.827 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.151 -14.704 -0.892 1.00 0.00 H ATOM 119 HG2 LYS A 8 7.490 -13.407 0.724 1.00 0.00 H ATOM 120 HG3 LYS A 8 6.215 -12.170 0.781 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.625 -13.940 1.605 1.00 0.00 H ATOM 122 HD3 LYS A 8 5.992 -15.064 1.675 1.00 0.00 H ATOM 123 HE2 LYS A 8 5.714 -12.435 3.192 1.00 0.00 H ATOM 124 HE3 LYS A 8 5.504 -14.051 3.883 1.00 0.00 H ATOM 125 HZ1 LYS A 8 8.033 -13.018 2.746 1.00 0.00 H ATOM 126 HZ2 LYS A 8 7.712 -13.117 4.334 1.00 0.00 H ATOM 127 HZ3 LYS A 8 7.841 -14.484 3.446 1.00 0.00 H ATOM 128 N TRP A 9 5.047 -11.054 -2.400 1.00 0.00 N ATOM 129 CA TRP A 9 4.463 -9.708 -2.293 1.00 0.00 C ATOM 130 C TRP A 9 3.721 -9.532 -0.948 1.00 0.00 C ATOM 131 O TRP A 9 3.080 -10.469 -0.448 1.00 0.00 O ATOM 132 CB TRP A 9 3.498 -9.469 -3.469 1.00 0.00 C ATOM 133 CG TRP A 9 4.103 -9.226 -4.821 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.900 -9.973 -5.936 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.928 -8.088 -5.255 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.566 -9.411 -7.006 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.214 -8.239 -6.650 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.442 -6.932 -4.634 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.972 -7.306 -7.375 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.216 -5.976 -5.342 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.468 -6.161 -6.721 1.00 0.00 C ATOM 142 H TRP A 9 4.499 -11.780 -2.838 1.00 0.00 H ATOM 143 HA TRP A 9 5.263 -8.970 -2.342 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.793 -10.298 -3.534 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.925 -8.565 -3.259 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.262 -10.843 -5.984 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.590 -9.825 -7.927 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.224 -6.782 -3.586 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.164 -7.470 -8.425 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.595 -5.099 -4.839 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.054 -5.431 -7.260 1.00 0.00 H ATOM 152 N ALA A 10 3.805 -8.322 -0.379 1.00 0.00 N ATOM 153 CA ALA A 10 3.076 -7.984 0.847 1.00 0.00 C ATOM 154 C ALA A 10 2.637 -6.502 0.816 1.00 0.00 C ATOM 155 O ALA A 10 3.463 -5.602 0.674 1.00 0.00 O ATOM 156 CB ALA A 10 3.971 -8.250 2.061 1.00 0.00 C ATOM 157 H ALA A 10 4.374 -7.608 -0.811 1.00 0.00 H ATOM 158 HA ALA A 10 2.188 -8.611 0.920 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.187 -9.315 2.138 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.909 -7.701 1.976 1.00 0.00 H ATOM 161 HB3 ALA A 10 3.451 -7.944 2.970 1.00 0.00 H ATOM 162 N TRP A 11 1.327 -6.272 0.921 1.00 0.00 N ATOM 163 CA TRP A 11 0.739 -4.942 0.681 1.00 0.00 C ATOM 164 C TRP A 11 0.827 -4.065 1.950 1.00 0.00 C ATOM 165 O TRP A 11 0.798 -4.575 3.073 1.00 0.00 O ATOM 166 CB TRP A 11 -0.725 -5.093 0.252 1.00 0.00 C ATOM 167 CG TRP A 11 -1.517 -3.836 -0.004 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.480 -3.336 0.774 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.437 -2.955 -1.173 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.023 -2.205 0.191 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.440 -1.957 -1.033 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.674 -2.931 -2.347 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.658 -0.977 -2.024 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.899 -1.995 -3.354 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.889 -1.008 -3.194 1.00 0.00 C ATOM 176 H TRP A 11 0.699 -7.043 1.105 1.00 0.00 H ATOM 177 HA TRP A 11 1.288 -4.452 -0.123 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.732 -5.632 -0.695 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.273 -5.682 0.987 1.00 0.00 H ATOM 180 HD1 TRP A 11 -2.804 -3.764 1.712 1.00 0.00 H ATOM 181 HE1 TRP A 11 -3.787 -1.696 0.608 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.059 -3.713 -2.484 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.420 -0.227 -1.877 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.324 -2.052 -4.267 1.00 0.00 H ATOM 185 HH2 TRP A 11 -2.060 -0.281 -3.974 1.00 0.00 H ATOM 186 N LYS A 12 0.961 -2.743 1.747 1.00 0.00 N ATOM 187 CA LYS A 12 1.157 -1.783 2.847 1.00 0.00 C ATOM 188 C LYS A 12 0.100 -0.676 2.793 1.00 0.00 C ATOM 189 O LYS A 12 -0.253 -0.192 1.715 1.00 0.00 O ATOM 190 CB LYS A 12 2.572 -1.161 2.757 1.00 0.00 C ATOM 191 CG LYS A 12 3.748 -2.162 2.748 1.00 0.00 C ATOM 192 CD LYS A 12 3.901 -2.902 4.087 1.00 0.00 C ATOM 193 CE LYS A 12 5.119 -3.839 4.053 1.00 0.00 C ATOM 194 NZ LYS A 12 4.881 -5.065 3.251 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.013 -2.394 0.800 1.00 0.00 H ATOM 196 HA LYS A 12 1.056 -2.313 3.795 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.632 -0.571 1.843 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.710 -0.487 3.603 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.592 -2.873 1.937 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.661 -1.606 2.532 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.060 -2.159 4.870 1.00 0.00 H ATOM 202 HD3 LYS A 12 3.005 -3.476 4.318 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.961 -3.282 3.643 1.00 0.00 H ATOM 204 HE3 LYS A 12 5.362 -4.119 5.078 1.00 0.00 H ATOM 205 HZ1 LYS A 12 5.724 -5.622 3.223 1.00 0.00 H ATOM 206 HZ2 LYS A 12 4.143 -5.624 3.653 1.00 0.00 H ATOM 207 HZ3 LYS A 12 4.624 -4.851 2.298 1.00 0.00 H HETATM 208 N NH2 A 13 -0.384 -0.238 3.952 1.00 0.00 N HETATM 209 HN1 NH2 A 13 -0.060 -0.639 4.821 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -1.074 0.499 3.943 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 10 ATOM 1 N ALA A 1 0.482 0.468 -1.040 1.00 0.00 N ATOM 2 CA ALA A 1 1.602 0.181 -1.955 1.00 0.00 C ATOM 3 C ALA A 1 2.116 -1.249 -1.750 1.00 0.00 C ATOM 4 O ALA A 1 2.066 -1.786 -0.641 1.00 0.00 O ATOM 5 CB ALA A 1 2.739 1.195 -1.714 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.336 -0.118 -1.125 1.00 0.00 H ATOM 7 H2 ALA A 1 0.787 0.395 -0.080 1.00 0.00 H ATOM 8 H3 ALA A 1 0.167 1.418 -1.174 1.00 0.00 H ATOM 9 HA ALA A 1 1.264 0.288 -2.986 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.368 2.207 -1.881 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.107 1.121 -0.691 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.565 1.030 -2.406 1.00 0.00 H ATOM 13 N TRP A 2 2.607 -1.866 -2.827 1.00 0.00 N ATOM 14 CA TRP A 2 3.183 -3.212 -2.764 1.00 0.00 C ATOM 15 C TRP A 2 4.670 -3.157 -2.371 1.00 0.00 C ATOM 16 O TRP A 2 5.375 -2.194 -2.700 1.00 0.00 O ATOM 17 CB TRP A 2 3.033 -3.891 -4.133 1.00 0.00 C ATOM 18 CG TRP A 2 1.720 -4.555 -4.386 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.857 -4.284 -5.404 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.150 -5.676 -3.663 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.214 -5.159 -5.345 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.082 -6.038 -4.288 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.553 -6.407 -2.533 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.858 -7.111 -3.815 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.798 -7.510 -2.066 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.406 -7.855 -2.704 1.00 0.00 C ATOM 27 H TRP A 2 2.627 -1.364 -3.703 1.00 0.00 H ATOM 28 HA TRP A 2 2.639 -3.792 -2.019 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.245 -3.178 -4.929 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.795 -4.663 -4.236 1.00 0.00 H ATOM 31 HD1 TRP A 2 0.998 -3.517 -6.152 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.993 -5.129 -5.987 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.484 -6.143 -2.053 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.779 -7.373 -4.314 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.124 -8.096 -1.220 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.957 -8.711 -2.343 1.00 0.00 H ATOM 37 N ALA A 3 5.146 -4.229 -1.732 1.00 0.00 N ATOM 38 CA ALA A 3 6.577 -4.437 -1.514 1.00 0.00 C ATOM 39 C ALA A 3 6.928 -5.923 -1.653 1.00 0.00 C ATOM 40 O ALA A 3 6.200 -6.795 -1.173 1.00 0.00 O ATOM 41 CB ALA A 3 6.968 -3.928 -0.120 1.00 0.00 C ATOM 42 H ALA A 3 4.507 -4.944 -1.413 1.00 0.00 H ATOM 43 HA ALA A 3 7.138 -3.875 -2.260 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.690 -2.879 -0.022 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.443 -4.498 0.646 1.00 0.00 H ATOM 46 HB3 ALA A 3 8.044 -4.014 0.028 1.00 0.00 H ATOM 47 N TRP A 4 8.040 -6.208 -2.336 1.00 0.00 N ATOM 48 CA TRP A 4 8.542 -7.586 -2.473 1.00 0.00 C ATOM 49 C TRP A 4 9.523 -7.903 -1.332 1.00 0.00 C ATOM 50 O TRP A 4 10.544 -7.228 -1.175 1.00 0.00 O ATOM 51 CB TRP A 4 9.237 -7.752 -3.823 1.00 0.00 C ATOM 52 CG TRP A 4 9.704 -9.120 -4.223 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.988 -9.451 -4.457 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.916 -10.295 -4.582 1.00 0.00 C ATOM 55 NE1 TRP A 4 11.067 -10.742 -4.948 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.808 -11.285 -5.102 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.535 -10.604 -4.597 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.353 -12.516 -5.596 1.00 0.00 C ATOM 59 CZ3 TRP A 4 7.068 -11.847 -5.083 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.975 -12.785 -5.591 1.00 0.00 C ATOM 61 H TRP A 4 8.617 -5.458 -2.691 1.00 0.00 H ATOM 62 HA TRP A 4 7.700 -8.276 -2.420 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.523 -7.455 -4.591 1.00 0.00 H ATOM 64 HB3 TRP A 4 10.071 -7.056 -3.912 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.826 -8.777 -4.343 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.935 -11.189 -5.207 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.848 -9.837 -4.270 1.00 0.00 H ATOM 68 HZ2 TRP A 4 10.058 -13.251 -5.957 1.00 0.00 H ATOM 69 HZ3 TRP A 4 6.009 -12.059 -5.057 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.604 -13.729 -5.962 1.00 0.00 H ATOM 71 N GLU A 5 9.165 -8.883 -0.495 1.00 0.00 N ATOM 72 CA GLU A 5 9.851 -9.109 0.776 1.00 0.00 C ATOM 73 C GLU A 5 9.984 -10.612 1.057 1.00 0.00 C ATOM 74 O GLU A 5 8.992 -11.315 1.271 1.00 0.00 O ATOM 75 CB GLU A 5 9.057 -8.436 1.913 1.00 0.00 C ATOM 76 CG GLU A 5 9.756 -8.416 3.267 1.00 0.00 C ATOM 77 CD GLU A 5 8.841 -7.828 4.366 1.00 0.00 C ATOM 78 OE1 GLU A 5 8.449 -6.636 4.248 1.00 0.00 O ATOM 79 OE2 GLU A 5 8.497 -8.530 5.341 1.00 0.00 O1- ATOM 80 H GLU A 5 8.317 -9.404 -0.674 1.00 0.00 H ATOM 81 HA GLU A 5 10.848 -8.670 0.735 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.875 -7.395 1.645 1.00 0.00 H ATOM 83 HB3 GLU A 5 8.087 -8.923 2.011 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.034 -9.433 3.546 1.00 0.00 H ATOM 85 HG3 GLU A 5 10.682 -7.846 3.198 1.00 0.00 H HETATM 86 N AIB A 6 11.224 -11.119 1.066 1.00 0.00 N HETATM 87 CA AIB A 6 11.551 -12.553 1.210 1.00 0.00 C HETATM 88 C AIB A 6 10.842 -13.464 0.148 1.00 0.00 C HETATM 89 O AIB A 6 10.388 -14.564 0.460 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.079 -12.668 1.015 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.285 -12.984 2.665 1.00 0.00 C HETATM 92 H AIB A 6 12.004 -10.494 0.921 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.346 -12.313 0.019 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.615 -12.081 1.759 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.386 -13.710 1.092 1.00 0.00 H HETATM 96 HB21 AIB A 6 10.216 -12.979 2.874 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.669 -13.990 2.826 1.00 0.00 H HETATM 98 HB23 AIB A 6 11.776 -12.287 3.344 1.00 0.00 H ATOM 99 N GLY A 7 10.804 -12.996 -1.115 1.00 0.00 N ATOM 100 CA GLY A 7 10.344 -13.831 -2.240 1.00 0.00 C ATOM 101 C GLY A 7 8.806 -13.914 -2.328 1.00 0.00 C ATOM 102 O GLY A 7 8.258 -14.864 -2.882 1.00 0.00 O ATOM 103 H GLY A 7 11.208 -12.093 -1.317 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.723 -13.406 -3.170 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.744 -14.837 -2.116 1.00 0.00 H ATOM 106 N LYS A 8 8.124 -12.901 -1.778 1.00 0.00 N ATOM 107 CA LYS A 8 6.655 -12.801 -1.854 1.00 0.00 C ATOM 108 C LYS A 8 6.212 -11.333 -1.819 1.00 0.00 C ATOM 109 O LYS A 8 6.919 -10.473 -1.292 1.00 0.00 O ATOM 110 CB LYS A 8 6.018 -13.580 -0.677 1.00 0.00 C ATOM 111 CG LYS A 8 6.626 -13.199 0.680 1.00 0.00 C ATOM 112 CD LYS A 8 5.975 -13.873 1.889 1.00 0.00 C ATOM 113 CE LYS A 8 6.794 -13.680 3.182 1.00 0.00 C ATOM 114 NZ LYS A 8 7.163 -12.260 3.419 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.625 -12.166 -1.301 1.00 0.00 H ATOM 116 HA LYS A 8 6.316 -13.232 -2.796 1.00 0.00 H ATOM 117 HB2 LYS A 8 4.943 -13.404 -0.656 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.140 -14.651 -0.836 1.00 0.00 H ATOM 119 HG2 LYS A 8 7.675 -13.495 0.684 1.00 0.00 H ATOM 120 HG3 LYS A 8 6.569 -12.116 0.793 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.981 -13.451 2.036 1.00 0.00 H ATOM 122 HD3 LYS A 8 5.886 -14.941 1.692 1.00 0.00 H ATOM 123 HE2 LYS A 8 6.241 -14.084 4.030 1.00 0.00 H ATOM 124 HE3 LYS A 8 7.712 -14.259 3.083 1.00 0.00 H ATOM 125 HZ1 LYS A 8 6.336 -11.685 3.488 1.00 0.00 H ATOM 126 HZ2 LYS A 8 7.703 -12.139 4.263 1.00 0.00 H ATOM 127 HZ3 LYS A 8 7.713 -11.900 2.651 1.00 0.00 H ATOM 128 N TRP A 9 5.041 -11.052 -2.392 1.00 0.00 N ATOM 129 CA TRP A 9 4.452 -9.717 -2.339 1.00 0.00 C ATOM 130 C TRP A 9 3.697 -9.511 -1.018 1.00 0.00 C ATOM 131 O TRP A 9 3.033 -10.427 -0.517 1.00 0.00 O ATOM 132 CB TRP A 9 3.497 -9.516 -3.522 1.00 0.00 C ATOM 133 CG TRP A 9 4.145 -9.247 -4.856 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.960 -9.977 -5.977 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.987 -8.120 -5.269 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.692 -9.462 -7.025 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.349 -8.307 -6.644 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.495 -6.961 -4.630 1.00 0.00 C ATOM 139 CZ2 TRP A 9 6.162 -7.399 -7.337 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.296 -6.036 -5.329 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.634 -6.261 -6.673 1.00 0.00 C ATOM 142 H TRP A 9 4.494 -11.797 -2.799 1.00 0.00 H ATOM 143 HA TRP A 9 5.251 -8.978 -2.403 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.813 -10.362 -3.595 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.874 -8.650 -3.301 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.318 -10.841 -6.052 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.695 -9.845 -7.959 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.228 -6.786 -3.598 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.393 -7.554 -8.380 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.645 -5.136 -4.845 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.234 -5.537 -7.204 1.00 0.00 H ATOM 152 N ALA A 10 3.798 -8.295 -0.470 1.00 0.00 N ATOM 153 CA ALA A 10 3.101 -7.921 0.772 1.00 0.00 C ATOM 154 C ALA A 10 2.615 -6.470 0.694 1.00 0.00 C ATOM 155 O ALA A 10 3.373 -5.574 0.320 1.00 0.00 O ATOM 156 CB ALA A 10 4.055 -8.094 1.972 1.00 0.00 C ATOM 157 H ALA A 10 4.362 -7.595 -0.929 1.00 0.00 H ATOM 158 HA ALA A 10 2.238 -8.575 0.901 1.00 0.00 H ATOM 159 HB1 ALA A 10 3.581 -7.757 2.894 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.316 -9.148 2.064 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.957 -7.500 1.823 1.00 0.00 H ATOM 162 N TRP A 11 1.326 -6.254 0.975 1.00 0.00 N ATOM 163 CA TRP A 11 0.689 -4.942 0.777 1.00 0.00 C ATOM 164 C TRP A 11 0.772 -4.106 2.053 1.00 0.00 C ATOM 165 O TRP A 11 0.336 -4.538 3.124 1.00 0.00 O ATOM 166 CB TRP A 11 -0.776 -5.131 0.355 1.00 0.00 C ATOM 167 CG TRP A 11 -1.561 -3.879 0.095 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.516 -3.360 0.901 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.457 -2.975 -1.033 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.044 -2.233 0.310 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.436 -1.954 -0.888 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.677 -2.961 -2.212 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.613 -0.959 -1.851 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.868 -1.988 -3.202 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.838 -0.980 -3.029 1.00 0.00 C ATOM 176 H TRP A 11 0.749 -7.016 1.304 1.00 0.00 H ATOM 177 HA TRP A 11 1.211 -4.411 -0.019 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.780 -5.719 -0.564 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.306 -5.698 1.120 1.00 0.00 H ATOM 180 HD1 TRP A 11 -2.849 -3.799 1.829 1.00 0.00 H ATOM 181 HE1 TRP A 11 -3.804 -1.705 0.715 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.048 -3.749 -2.356 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.380 -0.212 -1.714 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.298 -2.020 -4.117 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.986 -0.247 -3.808 1.00 0.00 H ATOM 186 N LYS A 12 1.364 -2.910 1.938 1.00 0.00 N ATOM 187 CA LYS A 12 1.724 -2.085 3.115 1.00 0.00 C ATOM 188 C LYS A 12 0.643 -1.019 3.396 1.00 0.00 C ATOM 189 O LYS A 12 0.784 -0.204 4.312 1.00 0.00 O ATOM 190 CB LYS A 12 3.090 -1.406 2.876 1.00 0.00 C ATOM 191 CG LYS A 12 4.256 -2.376 2.600 1.00 0.00 C ATOM 192 CD LYS A 12 4.595 -3.292 3.783 1.00 0.00 C ATOM 193 CE LYS A 12 5.832 -4.144 3.485 1.00 0.00 C ATOM 194 NZ LYS A 12 6.237 -4.978 4.645 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.694 -2.610 1.032 1.00 0.00 H ATOM 196 HA LYS A 12 1.797 -2.734 3.987 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.996 -0.734 2.022 1.00 0.00 H ATOM 198 HB3 LYS A 12 3.366 -0.796 3.736 1.00 0.00 H ATOM 199 HG2 LYS A 12 4.017 -2.986 1.728 1.00 0.00 H ATOM 200 HG3 LYS A 12 5.136 -1.773 2.373 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.796 -2.670 4.655 1.00 0.00 H ATOM 202 HD3 LYS A 12 3.755 -3.955 3.994 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.604 -4.788 2.636 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.647 -3.486 3.184 1.00 0.00 H ATOM 205 HZ1 LYS A 12 7.046 -5.545 4.437 1.00 0.00 H ATOM 206 HZ2 LYS A 12 6.490 -4.408 5.439 1.00 0.00 H ATOM 207 HZ3 LYS A 12 5.504 -5.614 4.926 1.00 0.00 H HETATM 208 N NH2 A 13 -0.437 -0.982 2.627 1.00 0.00 N HETATM 209 HN1 NH2 A 13 -0.561 -1.685 1.912 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -1.153 -0.294 2.813 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 11 ATOM 1 N ALA A 1 0.313 0.270 -0.967 1.00 0.00 N ATOM 2 CA ALA A 1 1.505 0.098 -1.836 1.00 0.00 C ATOM 3 C ALA A 1 2.091 -1.314 -1.670 1.00 0.00 C ATOM 4 O ALA A 1 2.060 -1.877 -0.582 1.00 0.00 O ATOM 5 CB ALA A 1 2.579 1.160 -1.495 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.463 -0.360 -1.114 1.00 0.00 H ATOM 7 H2 ALA A 1 0.580 0.183 0.004 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.043 1.210 -1.073 1.00 0.00 H ATOM 9 HA ALA A 1 1.202 0.229 -2.875 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.909 1.057 -0.461 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.434 1.042 -2.161 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.184 2.168 -1.623 1.00 0.00 H ATOM 13 N TRP A 2 2.604 -1.884 -2.769 1.00 0.00 N ATOM 14 CA TRP A 2 3.194 -3.233 -2.750 1.00 0.00 C ATOM 15 C TRP A 2 4.682 -3.175 -2.373 1.00 0.00 C ATOM 16 O TRP A 2 5.378 -2.217 -2.701 1.00 0.00 O ATOM 17 CB TRP A 2 3.037 -3.882 -4.132 1.00 0.00 C ATOM 18 CG TRP A 2 1.715 -4.534 -4.375 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.824 -4.201 -5.348 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.124 -5.664 -3.668 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.267 -5.057 -5.293 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.112 -6.005 -4.288 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.536 -6.413 -2.549 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.889 -7.101 -3.858 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.764 -7.515 -2.102 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.437 -7.863 -2.759 1.00 0.00 C ATOM 27 H TRP A 2 2.633 -1.365 -3.634 1.00 0.00 H ATOM 28 HA TRP A 2 2.670 -3.838 -2.011 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.225 -3.141 -4.908 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.791 -4.660 -4.254 1.00 0.00 H ATOM 31 HD1 TRP A 2 0.946 -3.396 -6.056 1.00 0.00 H ATOM 32 HE1 TRP A 2 -1.072 -5.009 -5.902 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.473 -6.162 -2.076 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.816 -7.359 -4.349 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.082 -8.139 -1.281 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.983 -8.721 -2.395 1.00 0.00 H ATOM 37 N ALA A 3 5.173 -4.233 -1.724 1.00 0.00 N ATOM 38 CA ALA A 3 6.604 -4.417 -1.504 1.00 0.00 C ATOM 39 C ALA A 3 6.978 -5.910 -1.652 1.00 0.00 C ATOM 40 O ALA A 3 6.196 -6.796 -1.284 1.00 0.00 O ATOM 41 CB ALA A 3 6.980 -3.942 -0.096 1.00 0.00 C ATOM 42 H ALA A 3 4.546 -4.966 -1.423 1.00 0.00 H ATOM 43 HA ALA A 3 7.155 -3.830 -2.238 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.698 -2.895 0.012 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.456 -4.528 0.658 1.00 0.00 H ATOM 46 HB3 ALA A 3 8.053 -4.049 0.063 1.00 0.00 H ATOM 47 N TRP A 4 8.146 -6.167 -2.240 1.00 0.00 N ATOM 48 CA TRP A 4 8.602 -7.538 -2.542 1.00 0.00 C ATOM 49 C TRP A 4 9.653 -7.984 -1.522 1.00 0.00 C ATOM 50 O TRP A 4 10.713 -7.371 -1.401 1.00 0.00 O ATOM 51 CB TRP A 4 9.191 -7.586 -3.968 1.00 0.00 C ATOM 52 CG TRP A 4 9.616 -8.915 -4.509 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.866 -9.213 -4.949 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.802 -10.090 -4.806 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.880 -10.485 -5.489 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.611 -11.039 -5.494 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.451 -10.423 -4.631 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.109 -12.261 -5.969 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.929 -11.659 -5.078 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.757 -12.562 -5.755 1.00 0.00 C ATOM 61 H TRP A 4 8.756 -5.403 -2.497 1.00 0.00 H ATOM 62 HA TRP A 4 7.746 -8.210 -2.490 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.436 -7.219 -4.663 1.00 0.00 H ATOM 64 HB3 TRP A 4 10.038 -6.901 -4.007 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.697 -8.525 -4.894 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.722 -10.915 -5.845 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.798 -9.687 -4.187 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.759 -12.968 -6.463 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.892 -11.915 -4.921 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.345 -13.499 -6.097 1.00 0.00 H ATOM 71 N GLU A 5 9.316 -9.012 -0.732 1.00 0.00 N ATOM 72 CA GLU A 5 10.142 -9.420 0.423 1.00 0.00 C ATOM 73 C GLU A 5 10.226 -10.958 0.508 1.00 0.00 C ATOM 74 O GLU A 5 9.203 -11.640 0.453 1.00 0.00 O ATOM 75 CB GLU A 5 9.541 -8.863 1.724 1.00 0.00 C ATOM 76 CG GLU A 5 9.551 -7.331 1.846 1.00 0.00 C ATOM 77 CD GLU A 5 9.035 -6.886 3.226 1.00 0.00 C ATOM 78 OE1 GLU A 5 9.832 -6.806 4.182 1.00 0.00 O ATOM 79 OE2 GLU A 5 7.821 -6.605 3.372 1.00 0.00 O1- ATOM 80 H GLU A 5 8.432 -9.478 -0.872 1.00 0.00 H ATOM 81 HA GLU A 5 11.150 -9.018 0.313 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.516 -9.224 1.815 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.125 -9.264 2.553 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.570 -6.969 1.702 1.00 0.00 H ATOM 85 HG3 GLU A 5 8.919 -6.909 1.066 1.00 0.00 H HETATM 86 N AIB A 6 11.433 -11.510 0.614 1.00 0.00 N HETATM 87 CA AIB A 6 11.713 -12.954 0.627 1.00 0.00 C HETATM 88 C AIB A 6 11.006 -13.756 -0.515 1.00 0.00 C HETATM 89 O AIB A 6 10.600 -14.911 -0.321 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.236 -13.091 0.463 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.383 -13.495 2.036 1.00 0.00 C HETATM 92 H AIB A 6 12.236 -10.898 0.663 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.509 -14.146 0.491 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.563 -12.672 -0.488 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.730 -12.571 1.284 1.00 0.00 H HETATM 96 HB21 AIB A 6 11.682 -14.538 2.129 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.917 -12.908 2.784 1.00 0.00 H HETATM 98 HB23 AIB A 6 10.315 -13.414 2.239 1.00 0.00 H ATOM 99 N GLY A 7 10.875 -13.128 -1.696 1.00 0.00 N ATOM 100 CA GLY A 7 10.242 -13.787 -2.860 1.00 0.00 C ATOM 101 C GLY A 7 8.697 -13.824 -2.760 1.00 0.00 C ATOM 102 O GLY A 7 8.051 -14.664 -3.394 1.00 0.00 O ATOM 103 H GLY A 7 11.221 -12.185 -1.802 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.522 -13.242 -3.761 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.617 -14.807 -2.938 1.00 0.00 H ATOM 106 N LYS A 8 8.125 -12.920 -1.942 1.00 0.00 N ATOM 107 CA LYS A 8 6.659 -12.819 -1.771 1.00 0.00 C ATOM 108 C LYS A 8 6.208 -11.357 -1.767 1.00 0.00 C ATOM 109 O LYS A 8 6.933 -10.479 -1.284 1.00 0.00 O ATOM 110 CB LYS A 8 6.241 -13.488 -0.434 1.00 0.00 C ATOM 111 CG LYS A 8 6.508 -14.996 -0.371 1.00 0.00 C ATOM 112 CD LYS A 8 6.115 -15.617 0.976 1.00 0.00 C ATOM 113 CE LYS A 8 7.046 -15.153 2.105 1.00 0.00 C ATOM 114 NZ LYS A 8 6.710 -15.809 3.400 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.716 -12.298 -1.410 1.00 0.00 H ATOM 116 HA LYS A 8 6.163 -13.332 -2.595 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.767 -12.995 0.383 1.00 0.00 H ATOM 118 HB3 LYS A 8 5.172 -13.324 -0.298 1.00 0.00 H ATOM 119 HG2 LYS A 8 5.930 -15.483 -1.156 1.00 0.00 H ATOM 120 HG3 LYS A 8 7.566 -15.193 -0.545 1.00 0.00 H ATOM 121 HD2 LYS A 8 5.077 -15.366 1.195 1.00 0.00 H ATOM 122 HD3 LYS A 8 6.191 -16.700 0.874 1.00 0.00 H ATOM 123 HE2 LYS A 8 8.079 -15.370 1.834 1.00 0.00 H ATOM 124 HE3 LYS A 8 6.962 -14.071 2.202 1.00 0.00 H ATOM 125 HZ1 LYS A 8 5.747 -15.659 3.668 1.00 0.00 H ATOM 126 HZ2 LYS A 8 6.843 -16.808 3.340 1.00 0.00 H ATOM 127 HZ3 LYS A 8 7.289 -15.464 4.152 1.00 0.00 H ATOM 128 N TRP A 9 5.020 -11.088 -2.322 1.00 0.00 N ATOM 129 CA TRP A 9 4.440 -9.735 -2.298 1.00 0.00 C ATOM 130 C TRP A 9 3.696 -9.492 -0.969 1.00 0.00 C ATOM 131 O TRP A 9 3.053 -10.401 -0.433 1.00 0.00 O ATOM 132 CB TRP A 9 3.473 -9.563 -3.485 1.00 0.00 C ATOM 133 CG TRP A 9 4.095 -9.267 -4.811 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.947 -9.976 -5.957 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.905 -8.095 -5.214 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.640 -9.390 -6.993 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.252 -8.211 -6.589 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.369 -6.951 -4.535 1.00 0.00 C ATOM 139 CZ2 TRP A 9 6.036 -7.249 -7.264 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.137 -5.966 -5.192 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.473 -6.124 -6.549 1.00 0.00 C ATOM 142 H TRP A 9 4.443 -11.849 -2.652 1.00 0.00 H ATOM 143 HA TRP A 9 5.243 -9.003 -2.395 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.815 -10.428 -3.558 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.834 -8.708 -3.263 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.345 -10.868 -6.042 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.716 -9.780 -7.921 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.103 -6.802 -3.499 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.272 -7.371 -8.311 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.485 -5.089 -4.667 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.062 -5.350 -7.020 1.00 0.00 H ATOM 152 N ALA A 10 3.770 -8.269 -0.466 1.00 0.00 N ATOM 153 CA ALA A 10 3.086 -7.883 0.766 1.00 0.00 C ATOM 154 C ALA A 10 2.557 -6.433 0.660 1.00 0.00 C ATOM 155 O ALA A 10 3.283 -5.523 0.250 1.00 0.00 O ATOM 156 CB ALA A 10 4.049 -8.003 1.950 1.00 0.00 C ATOM 157 H ALA A 10 4.316 -7.570 -0.948 1.00 0.00 H ATOM 158 HA ALA A 10 2.240 -8.556 0.910 1.00 0.00 H ATOM 159 HB1 ALA A 10 3.539 -7.743 2.878 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.422 -9.025 2.019 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.893 -7.329 1.802 1.00 0.00 H ATOM 162 N TRP A 11 1.273 -6.242 0.993 1.00 0.00 N ATOM 163 CA TRP A 11 0.595 -4.957 0.766 1.00 0.00 C ATOM 164 C TRP A 11 0.633 -4.089 2.022 1.00 0.00 C ATOM 165 O TRP A 11 0.307 -4.555 3.119 1.00 0.00 O ATOM 166 CB TRP A 11 -0.857 -5.210 0.350 1.00 0.00 C ATOM 167 CG TRP A 11 -1.691 -3.999 0.041 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.774 -3.568 0.736 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.563 -3.095 -1.086 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.307 -2.454 0.119 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.622 -2.128 -1.032 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.687 -3.004 -2.194 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.789 -1.135 -2.011 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.870 -2.044 -3.197 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.911 -1.104 -3.119 1.00 0.00 C ATOM 176 H TRP A 11 0.732 -7.024 1.336 1.00 0.00 H ATOM 177 HA TRP A 11 1.108 -4.427 -0.037 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.833 -5.796 -0.569 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.367 -5.811 1.102 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.133 -4.059 1.629 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.147 -1.999 0.445 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.089 -3.749 -2.293 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.578 -0.404 -1.911 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.228 -2.034 -4.067 1.00 0.00 H ATOM 185 HH2 TRP A 11 -2.066 -0.359 -3.885 1.00 0.00 H ATOM 186 N LYS A 12 1.018 -2.826 1.849 1.00 0.00 N ATOM 187 CA LYS A 12 1.229 -1.899 2.984 1.00 0.00 C ATOM 188 C LYS A 12 0.178 -0.789 2.972 1.00 0.00 C ATOM 189 O LYS A 12 -0.206 -0.293 1.904 1.00 0.00 O ATOM 190 CB LYS A 12 2.644 -1.273 2.907 1.00 0.00 C ATOM 191 CG LYS A 12 3.805 -2.244 2.623 1.00 0.00 C ATOM 192 CD LYS A 12 4.047 -3.297 3.706 1.00 0.00 C ATOM 193 CE LYS A 12 5.203 -4.191 3.246 1.00 0.00 C ATOM 194 NZ LYS A 12 5.610 -5.168 4.283 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.287 -2.521 0.925 1.00 0.00 H ATOM 196 HA LYS A 12 1.140 -2.452 3.919 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.643 -0.530 2.110 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.848 -0.754 3.844 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.653 -2.747 1.668 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.713 -1.648 2.531 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.311 -2.800 4.639 1.00 0.00 H ATOM 202 HD3 LYS A 12 3.139 -3.880 3.859 1.00 0.00 H ATOM 203 HE2 LYS A 12 4.908 -4.713 2.336 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.056 -3.557 3.003 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.381 -5.733 3.957 1.00 0.00 H ATOM 206 HZ2 LYS A 12 5.930 -4.713 5.126 1.00 0.00 H ATOM 207 HZ3 LYS A 12 4.857 -5.801 4.511 1.00 0.00 H HETATM 208 N NH2 A 13 -0.273 -0.352 4.132 1.00 0.00 N HETATM 209 HN1 NH2 A 13 0.024 -0.792 4.991 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -0.939 0.407 4.131 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 12 ATOM 1 N ALA A 1 0.277 0.284 -1.091 1.00 0.00 N ATOM 2 CA ALA A 1 1.607 0.125 -1.719 1.00 0.00 C ATOM 3 C ALA A 1 2.099 -1.317 -1.606 1.00 0.00 C ATOM 4 O ALA A 1 1.945 -1.953 -0.569 1.00 0.00 O ATOM 5 CB ALA A 1 2.613 1.065 -1.060 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.475 -0.295 -1.437 1.00 0.00 H ATOM 7 H2 ALA A 1 0.360 0.069 -0.107 1.00 0.00 H ATOM 8 H3 ALA A 1 0.000 1.251 -1.172 1.00 0.00 H ATOM 9 HA ALA A 1 1.536 0.389 -2.774 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.310 2.099 -1.221 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.649 0.869 0.011 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.602 0.929 -1.496 1.00 0.00 H ATOM 13 N TRP A 2 2.692 -1.827 -2.692 1.00 0.00 N ATOM 14 CA TRP A 2 3.247 -3.188 -2.725 1.00 0.00 C ATOM 15 C TRP A 2 4.735 -3.180 -2.313 1.00 0.00 C ATOM 16 O TRP A 2 5.463 -2.225 -2.601 1.00 0.00 O ATOM 17 CB TRP A 2 3.105 -3.771 -4.151 1.00 0.00 C ATOM 18 CG TRP A 2 1.798 -4.435 -4.482 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.951 -4.109 -5.482 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.195 -5.579 -3.813 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.141 -4.961 -5.483 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.036 -5.896 -4.469 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.569 -6.366 -2.708 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.852 -6.969 -4.050 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.759 -7.444 -2.274 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.437 -7.764 -2.958 1.00 0.00 C ATOM 27 H TRP A 2 2.804 -1.259 -3.520 1.00 0.00 H ATOM 28 HA TRP A 2 2.687 -3.811 -2.026 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.325 -2.987 -4.875 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.868 -4.534 -4.302 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.098 -3.296 -6.178 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.912 -4.913 -6.133 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.508 -6.157 -2.217 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.780 -7.186 -4.557 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.066 -8.066 -1.445 1.00 0.00 H ATOM 36 HH2 TRP A 2 -1.023 -8.605 -2.617 1.00 0.00 H ATOM 37 N ALA A 3 5.180 -4.286 -1.701 1.00 0.00 N ATOM 38 CA ALA A 3 6.604 -4.516 -1.430 1.00 0.00 C ATOM 39 C ALA A 3 6.972 -5.987 -1.685 1.00 0.00 C ATOM 40 O ALA A 3 6.230 -6.895 -1.325 1.00 0.00 O ATOM 41 CB ALA A 3 6.920 -4.134 0.021 1.00 0.00 C ATOM 42 H ALA A 3 4.522 -4.994 -1.408 1.00 0.00 H ATOM 43 HA ALA A 3 7.193 -3.887 -2.097 1.00 0.00 H ATOM 44 HB1 ALA A 3 7.965 -4.347 0.247 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.749 -3.067 0.163 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.292 -4.688 0.720 1.00 0.00 H ATOM 47 N TRP A 4 8.140 -6.199 -2.316 1.00 0.00 N ATOM 48 CA TRP A 4 8.624 -7.552 -2.647 1.00 0.00 C ATOM 49 C TRP A 4 9.794 -7.950 -1.737 1.00 0.00 C ATOM 50 O TRP A 4 10.832 -7.272 -1.714 1.00 0.00 O ATOM 51 CB TRP A 4 9.069 -7.596 -4.118 1.00 0.00 C ATOM 52 CG TRP A 4 9.482 -8.922 -4.698 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.705 -9.230 -5.192 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.653 -10.123 -4.926 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.683 -10.495 -5.735 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.432 -11.076 -5.638 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.311 -10.460 -4.656 1.00 0.00 C ATOM 58 CZ2 TRP A 4 8.918 -12.312 -6.074 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.788 -11.704 -5.043 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.580 -12.634 -5.738 1.00 0.00 C ATOM 61 H TRP A 4 8.708 -5.407 -2.581 1.00 0.00 H ATOM 62 HA TRP A 4 7.813 -8.267 -2.509 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.241 -7.247 -4.734 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.896 -6.898 -4.243 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.552 -8.561 -5.200 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.483 -10.927 -6.176 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.700 -9.724 -4.155 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.531 -12.992 -6.647 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.758 -11.951 -4.836 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.158 -13.570 -6.073 1.00 0.00 H ATOM 71 N GLU A 5 9.630 -9.046 -0.998 1.00 0.00 N ATOM 72 CA GLU A 5 10.646 -9.500 -0.023 1.00 0.00 C ATOM 73 C GLU A 5 10.643 -11.029 0.098 1.00 0.00 C ATOM 74 O GLU A 5 9.581 -11.654 0.192 1.00 0.00 O ATOM 75 CB GLU A 5 10.370 -8.863 1.347 1.00 0.00 C ATOM 76 CG GLU A 5 11.472 -9.122 2.382 1.00 0.00 C ATOM 77 CD GLU A 5 11.164 -8.395 3.702 1.00 0.00 C ATOM 78 OE1 GLU A 5 10.477 -8.978 4.585 1.00 0.00 O1- ATOM 79 OE2 GLU A 5 11.621 -7.242 3.885 1.00 0.00 O ATOM 80 H GLU A 5 8.759 -9.553 -1.053 1.00 0.00 H ATOM 81 HA GLU A 5 11.632 -9.179 -0.360 1.00 0.00 H ATOM 82 HB2 GLU A 5 10.263 -7.786 1.220 1.00 0.00 H ATOM 83 HB3 GLU A 5 9.420 -9.235 1.730 1.00 0.00 H ATOM 84 HG2 GLU A 5 11.565 -10.191 2.572 1.00 0.00 H ATOM 85 HG3 GLU A 5 12.422 -8.774 1.977 1.00 0.00 H HETATM 86 N AIB A 6 11.834 -11.647 0.097 1.00 0.00 N HETATM 87 CA AIB A 6 12.034 -13.096 0.152 1.00 0.00 C HETATM 88 C AIB A 6 11.176 -13.872 -0.897 1.00 0.00 C HETATM 89 O AIB A 6 10.769 -15.015 -0.671 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.527 -13.344 -0.151 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.782 -13.564 1.598 1.00 0.00 C HETATM 92 H AIB A 6 12.662 -11.073 0.046 1.00 0.00 H HETATM 93 HB11 AIB A 6 14.143 -12.843 0.597 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.743 -14.410 -0.088 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.773 -12.996 -1.154 1.00 0.00 H HETATM 96 HB21 AIB A 6 10.727 -13.473 1.855 1.00 0.00 H HETATM 97 HB22 AIB A 6 12.055 -14.615 1.699 1.00 0.00 H HETATM 98 HB23 AIB A 6 12.371 -12.971 2.297 1.00 0.00 H ATOM 99 N GLY A 7 10.931 -13.225 -2.049 1.00 0.00 N ATOM 100 CA GLY A 7 10.171 -13.859 -3.136 1.00 0.00 C ATOM 101 C GLY A 7 8.650 -13.906 -2.845 1.00 0.00 C ATOM 102 O GLY A 7 7.935 -14.777 -3.358 1.00 0.00 O ATOM 103 H GLY A 7 11.330 -12.310 -2.198 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.332 -13.298 -4.056 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.538 -14.875 -3.279 1.00 0.00 H ATOM 106 N LYS A 8 8.165 -12.950 -2.030 1.00 0.00 N ATOM 107 CA LYS A 8 6.726 -12.828 -1.715 1.00 0.00 C ATOM 108 C LYS A 8 6.276 -11.346 -1.745 1.00 0.00 C ATOM 109 O LYS A 8 7.004 -10.458 -1.296 1.00 0.00 O ATOM 110 CB LYS A 8 6.437 -13.431 -0.322 1.00 0.00 C ATOM 111 CG LYS A 8 4.933 -13.512 -0.019 1.00 0.00 C ATOM 112 CD LYS A 8 4.637 -14.013 1.393 1.00 0.00 C ATOM 113 CE LYS A 8 3.135 -13.877 1.699 1.00 0.00 C ATOM 114 NZ LYS A 8 2.710 -12.456 1.859 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.802 -12.305 -1.586 1.00 0.00 H ATOM 116 HA LYS A 8 6.153 -13.380 -2.461 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.848 -14.439 -0.285 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.925 -12.836 0.451 1.00 0.00 H ATOM 119 HG2 LYS A 8 4.503 -12.515 -0.115 1.00 0.00 H ATOM 120 HG3 LYS A 8 4.456 -14.177 -0.740 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.932 -15.058 1.472 1.00 0.00 H ATOM 122 HD3 LYS A 8 5.207 -13.436 2.121 1.00 0.00 H ATOM 123 HE2 LYS A 8 2.567 -14.351 0.899 1.00 0.00 H ATOM 124 HE3 LYS A 8 2.910 -14.420 2.616 1.00 0.00 H ATOM 125 HZ1 LYS A 8 2.869 -11.944 1.002 1.00 0.00 H ATOM 126 HZ2 LYS A 8 1.717 -12.407 2.040 1.00 0.00 H ATOM 127 HZ3 LYS A 8 3.183 -11.995 2.621 1.00 0.00 H ATOM 128 N TRP A 9 5.061 -11.108 -2.239 1.00 0.00 N ATOM 129 CA TRP A 9 4.452 -9.762 -2.216 1.00 0.00 C ATOM 130 C TRP A 9 3.734 -9.510 -0.876 1.00 0.00 C ATOM 131 O TRP A 9 3.179 -10.426 -0.268 1.00 0.00 O ATOM 132 CB TRP A 9 3.456 -9.613 -3.368 1.00 0.00 C ATOM 133 CG TRP A 9 4.011 -9.331 -4.735 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.814 -10.077 -5.840 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.781 -8.173 -5.184 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.474 -9.518 -6.923 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.054 -8.314 -6.578 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.247 -6.998 -4.555 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.780 -7.360 -7.306 1.00 0.00 C ATOM 140 CZ3 TRP A 9 5.980 -6.025 -5.267 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.265 -6.211 -6.641 1.00 0.00 C ATOM 142 H TRP A 9 4.506 -11.879 -2.582 1.00 0.00 H ATOM 143 HA TRP A 9 5.240 -9.017 -2.332 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.799 -10.481 -3.421 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.827 -8.755 -3.129 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.235 -10.988 -5.874 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.515 -9.926 -7.846 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.011 -6.832 -3.513 1.00 0.00 H ATOM 149 HZ2 TRP A 9 5.965 -7.517 -8.359 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.340 -5.141 -4.758 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.829 -5.452 -7.161 1.00 0.00 H ATOM 152 N ALA A 10 3.723 -8.248 -0.445 1.00 0.00 N ATOM 153 CA ALA A 10 2.987 -7.826 0.749 1.00 0.00 C ATOM 154 C ALA A 10 2.459 -6.391 0.584 1.00 0.00 C ATOM 155 O ALA A 10 3.174 -5.504 0.095 1.00 0.00 O ATOM 156 CB ALA A 10 3.921 -7.902 1.976 1.00 0.00 C ATOM 157 H ALA A 10 4.243 -7.546 -0.953 1.00 0.00 H ATOM 158 HA ALA A 10 2.144 -8.498 0.903 1.00 0.00 H ATOM 159 HB1 ALA A 10 3.377 -7.623 2.879 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.287 -8.921 2.103 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.786 -7.251 1.853 1.00 0.00 H ATOM 162 N TRP A 11 1.193 -6.177 0.961 1.00 0.00 N ATOM 163 CA TRP A 11 0.516 -4.891 0.745 1.00 0.00 C ATOM 164 C TRP A 11 0.420 -4.105 2.070 1.00 0.00 C ATOM 165 O TRP A 11 0.071 -4.662 3.113 1.00 0.00 O ATOM 166 CB TRP A 11 -0.887 -5.128 0.180 1.00 0.00 C ATOM 167 CG TRP A 11 -1.693 -3.916 -0.172 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.772 -3.465 0.518 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.553 -3.017 -1.310 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.311 -2.366 -0.133 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.613 -2.057 -1.269 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.653 -2.929 -2.389 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.772 -1.085 -2.262 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.801 -1.949 -3.386 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.860 -1.042 -3.336 1.00 0.00 C ATOM 176 H TRP A 11 0.674 -6.911 1.421 1.00 0.00 H ATOM 177 HA TRP A 11 1.092 -4.309 0.025 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.789 -5.707 -0.739 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.444 -5.746 0.884 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.174 -3.900 1.422 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.124 -1.871 0.207 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.130 -3.671 -2.442 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.596 -0.390 -2.209 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.109 -1.941 -4.215 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.985 -0.321 -4.131 1.00 0.00 H ATOM 186 N LYS A 12 0.758 -2.803 2.015 1.00 0.00 N ATOM 187 CA LYS A 12 0.813 -1.945 3.215 1.00 0.00 C ATOM 188 C LYS A 12 0.417 -0.505 2.874 1.00 0.00 C ATOM 189 O LYS A 12 0.546 -0.067 1.731 1.00 0.00 O ATOM 190 CB LYS A 12 2.243 -1.968 3.815 1.00 0.00 C ATOM 191 CG LYS A 12 3.354 -1.464 2.873 1.00 0.00 C ATOM 192 CD LYS A 12 4.732 -1.576 3.553 1.00 0.00 C ATOM 193 CE LYS A 12 5.807 -1.016 2.609 1.00 0.00 C ATOM 194 NZ LYS A 12 7.147 -1.101 3.232 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.049 -2.413 1.130 1.00 0.00 H ATOM 196 HA LYS A 12 0.116 -2.337 3.955 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.259 -1.384 4.736 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.485 -2.993 4.097 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.361 -2.043 1.950 1.00 0.00 H ATOM 200 HG3 LYS A 12 3.165 -0.418 2.631 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.702 -1.036 4.500 1.00 0.00 H ATOM 202 HD3 LYS A 12 4.942 -2.625 3.758 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.769 -1.559 1.665 1.00 0.00 H ATOM 204 HE3 LYS A 12 5.576 0.030 2.405 1.00 0.00 H ATOM 205 HZ1 LYS A 12 7.180 -0.625 4.121 1.00 0.00 H ATOM 206 HZ2 LYS A 12 7.431 -2.060 3.381 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.843 -0.677 2.636 1.00 0.00 H HETATM 208 N NH2 A 13 -0.040 0.242 3.861 1.00 0.00 N HETATM 209 HN1 NH2 A 13 -0.082 -0.131 4.798 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -0.303 1.197 3.663 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 13 ATOM 1 N ALA A 1 0.493 0.307 -0.820 1.00 0.00 N ATOM 2 CA ALA A 1 1.647 0.112 -1.740 1.00 0.00 C ATOM 3 C ALA A 1 2.190 -1.313 -1.627 1.00 0.00 C ATOM 4 O ALA A 1 2.179 -1.906 -0.553 1.00 0.00 O ATOM 5 CB ALA A 1 2.757 1.119 -1.405 1.00 0.00 C ATOM 6 H1 ALA A 1 0.661 0.195 0.170 1.00 0.00 H ATOM 7 H2 ALA A 1 0.134 1.241 -0.953 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.233 -0.350 -1.065 1.00 0.00 H ATOM 9 HA ALA A 1 1.315 0.285 -2.764 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.369 2.135 -1.485 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.131 0.955 -0.395 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.581 1.000 -2.109 1.00 0.00 H ATOM 13 N TRP A 2 2.640 -1.866 -2.756 1.00 0.00 N ATOM 14 CA TRP A 2 3.196 -3.224 -2.792 1.00 0.00 C ATOM 15 C TRP A 2 4.685 -3.215 -2.408 1.00 0.00 C ATOM 16 O TRP A 2 5.437 -2.314 -2.797 1.00 0.00 O ATOM 17 CB TRP A 2 3.030 -3.829 -4.203 1.00 0.00 C ATOM 18 CG TRP A 2 1.715 -4.489 -4.467 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.810 -4.195 -5.442 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.145 -5.621 -3.745 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.267 -5.062 -5.368 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.112 -5.976 -4.345 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.573 -6.394 -2.644 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.892 -7.040 -3.862 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.800 -7.472 -2.158 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.424 -7.799 -2.765 1.00 0.00 C ATOM 27 H TRP A 2 2.616 -1.334 -3.616 1.00 0.00 H ATOM 28 HA TRP A 2 2.655 -3.847 -2.080 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.241 -3.067 -4.954 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.786 -4.605 -4.323 1.00 0.00 H ATOM 31 HD1 TRP A 2 0.922 -3.407 -6.171 1.00 0.00 H ATOM 32 HE1 TRP A 2 -1.058 -5.027 -5.995 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.522 -6.161 -2.184 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.839 -7.260 -4.334 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.135 -8.074 -1.326 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.982 -8.636 -2.372 1.00 0.00 H ATOM 37 N ALA A 3 5.119 -4.270 -1.697 1.00 0.00 N ATOM 38 CA ALA A 3 6.538 -4.491 -1.406 1.00 0.00 C ATOM 39 C ALA A 3 6.913 -5.963 -1.649 1.00 0.00 C ATOM 40 O ALA A 3 6.148 -6.872 -1.300 1.00 0.00 O ATOM 41 CB ALA A 3 6.828 -4.108 0.060 1.00 0.00 C ATOM 42 H ALA A 3 4.455 -4.958 -1.373 1.00 0.00 H ATOM 43 HA ALA A 3 7.140 -3.865 -2.064 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.564 -3.064 0.224 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.236 -4.728 0.733 1.00 0.00 H ATOM 46 HB3 ALA A 3 7.888 -4.244 0.273 1.00 0.00 H ATOM 47 N TRP A 4 8.087 -6.188 -2.246 1.00 0.00 N ATOM 48 CA TRP A 4 8.562 -7.540 -2.547 1.00 0.00 C ATOM 49 C TRP A 4 9.625 -7.973 -1.529 1.00 0.00 C ATOM 50 O TRP A 4 10.727 -7.414 -1.484 1.00 0.00 O ATOM 51 CB TRP A 4 9.146 -7.574 -3.965 1.00 0.00 C ATOM 52 CG TRP A 4 9.592 -8.907 -4.502 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.842 -9.212 -4.934 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.783 -10.100 -4.787 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.847 -10.482 -5.480 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.602 -11.063 -5.448 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.426 -10.449 -4.600 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.114 -12.296 -5.894 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.921 -11.683 -5.052 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.757 -12.610 -5.690 1.00 0.00 C ATOM 61 H TRP A 4 8.683 -5.408 -2.482 1.00 0.00 H ATOM 62 HA TRP A 4 7.729 -8.241 -2.504 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.392 -7.245 -4.679 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.999 -6.897 -3.993 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.693 -8.547 -4.901 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.673 -10.920 -5.863 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.742 -9.677 -4.281 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.771 -13.000 -6.383 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.874 -11.917 -4.934 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.374 -13.553 -6.050 1.00 0.00 H ATOM 71 N GLU A 5 9.257 -8.922 -0.669 1.00 0.00 N ATOM 72 CA GLU A 5 10.075 -9.285 0.496 1.00 0.00 C ATOM 73 C GLU A 5 10.218 -10.809 0.589 1.00 0.00 C ATOM 74 O GLU A 5 9.225 -11.538 0.571 1.00 0.00 O ATOM 75 CB GLU A 5 9.421 -8.736 1.790 1.00 0.00 C ATOM 76 CG GLU A 5 9.332 -7.201 1.815 1.00 0.00 C ATOM 77 CD GLU A 5 8.675 -6.667 3.107 1.00 0.00 C ATOM 78 OE1 GLU A 5 9.278 -6.832 4.203 1.00 0.00 O ATOM 79 OE2 GLU A 5 7.569 -6.080 3.048 1.00 0.00 O1- ATOM 80 H GLU A 5 8.346 -9.345 -0.760 1.00 0.00 H ATOM 81 HA GLU A 5 11.063 -8.835 0.395 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.417 -9.152 1.870 1.00 0.00 H ATOM 83 HB3 GLU A 5 9.992 -9.060 2.661 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.340 -6.792 1.749 1.00 0.00 H ATOM 85 HG3 GLU A 5 8.779 -6.834 0.951 1.00 0.00 H HETATM 86 N AIB A 6 11.455 -11.297 0.686 1.00 0.00 N HETATM 87 CA AIB A 6 11.807 -12.726 0.727 1.00 0.00 C HETATM 88 C AIB A 6 11.119 -13.578 -0.386 1.00 0.00 C HETATM 89 O AIB A 6 10.783 -14.758 -0.183 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.332 -12.792 0.512 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.555 -13.262 2.152 1.00 0.00 C HETATM 92 H AIB A 6 12.215 -10.633 0.707 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.857 -12.196 1.260 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.691 -13.818 0.602 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.608 -12.427 -0.478 1.00 0.00 H HETATM 96 HB21 AIB A 6 12.073 -12.653 2.893 1.00 0.00 H HETATM 97 HB22 AIB A 6 10.488 -13.241 2.374 1.00 0.00 H HETATM 98 HB23 AIB A 6 11.919 -14.286 2.234 1.00 0.00 H ATOM 99 N GLY A 7 10.901 -12.960 -1.570 1.00 0.00 N ATOM 100 CA GLY A 7 10.282 -13.668 -2.708 1.00 0.00 C ATOM 101 C GLY A 7 8.746 -13.763 -2.580 1.00 0.00 C ATOM 102 O GLY A 7 8.132 -14.694 -3.109 1.00 0.00 O ATOM 103 H GLY A 7 11.212 -12.012 -1.720 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.537 -13.129 -3.620 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.696 -14.674 -2.770 1.00 0.00 H ATOM 106 N LYS A 8 8.144 -12.805 -1.861 1.00 0.00 N ATOM 107 CA LYS A 8 6.683 -12.746 -1.673 1.00 0.00 C ATOM 108 C LYS A 8 6.188 -11.280 -1.693 1.00 0.00 C ATOM 109 O LYS A 8 6.808 -10.401 -1.092 1.00 0.00 O ATOM 110 CB LYS A 8 6.300 -13.412 -0.327 1.00 0.00 C ATOM 111 CG LYS A 8 4.812 -13.394 0.054 1.00 0.00 C ATOM 112 CD LYS A 8 3.920 -14.220 -0.892 1.00 0.00 C ATOM 113 CE LYS A 8 2.456 -14.258 -0.419 1.00 0.00 C ATOM 114 NZ LYS A 8 1.723 -13.001 -0.748 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.710 -12.121 -1.378 1.00 0.00 H ATOM 116 HA LYS A 8 6.204 -13.283 -2.492 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.637 -14.449 -0.349 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.837 -12.912 0.479 1.00 0.00 H ATOM 119 HG2 LYS A 8 4.717 -13.794 1.065 1.00 0.00 H ATOM 120 HG3 LYS A 8 4.444 -12.369 0.090 1.00 0.00 H ATOM 121 HD2 LYS A 8 3.964 -13.812 -1.902 1.00 0.00 H ATOM 122 HD3 LYS A 8 4.316 -15.235 -0.918 1.00 0.00 H ATOM 123 HE2 LYS A 8 1.958 -15.093 -0.911 1.00 0.00 H ATOM 124 HE3 LYS A 8 2.431 -14.436 0.656 1.00 0.00 H ATOM 125 HZ1 LYS A 8 2.208 -12.185 -0.402 1.00 0.00 H ATOM 126 HZ2 LYS A 8 1.618 -12.894 -1.747 1.00 0.00 H ATOM 127 HZ3 LYS A 8 0.797 -12.984 -0.344 1.00 0.00 H ATOM 128 N TRP A 9 5.069 -11.043 -2.376 1.00 0.00 N ATOM 129 CA TRP A 9 4.424 -9.722 -2.382 1.00 0.00 C ATOM 130 C TRP A 9 3.630 -9.511 -1.077 1.00 0.00 C ATOM 131 O TRP A 9 2.904 -10.402 -0.623 1.00 0.00 O ATOM 132 CB TRP A 9 3.480 -9.596 -3.589 1.00 0.00 C ATOM 133 CG TRP A 9 4.106 -9.280 -4.916 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.964 -10.004 -6.049 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.924 -8.120 -5.287 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.687 -9.416 -7.070 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.276 -8.230 -6.650 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.364 -6.962 -4.599 1.00 0.00 C ATOM 139 CZ2 TRP A 9 6.051 -7.270 -7.321 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.140 -5.986 -5.262 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.495 -6.149 -6.609 1.00 0.00 C ATOM 142 H TRP A 9 4.594 -11.804 -2.841 1.00 0.00 H ATOM 143 HA TRP A 9 5.189 -8.949 -2.452 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.884 -10.504 -3.684 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.786 -8.780 -3.389 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.352 -10.887 -6.162 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.767 -9.795 -8.004 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.080 -6.854 -3.563 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.335 -7.394 -8.355 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.452 -5.091 -4.744 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.103 -5.395 -7.088 1.00 0.00 H ATOM 152 N ALA A 10 3.771 -8.322 -0.494 1.00 0.00 N ATOM 153 CA ALA A 10 3.041 -7.954 0.719 1.00 0.00 C ATOM 154 C ALA A 10 2.585 -6.476 0.642 1.00 0.00 C ATOM 155 O ALA A 10 3.360 -5.589 0.265 1.00 0.00 O ATOM 156 CB ALA A 10 3.941 -8.169 1.946 1.00 0.00 C ATOM 157 H ALA A 10 4.387 -7.638 -0.908 1.00 0.00 H ATOM 158 HA ALA A 10 2.158 -8.586 0.815 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.260 -9.210 2.002 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.835 -7.549 1.872 1.00 0.00 H ATOM 161 HB3 ALA A 10 3.391 -7.928 2.855 1.00 0.00 H ATOM 162 N TRP A 11 1.313 -6.230 0.968 1.00 0.00 N ATOM 163 CA TRP A 11 0.705 -4.912 0.781 1.00 0.00 C ATOM 164 C TRP A 11 0.777 -4.097 2.074 1.00 0.00 C ATOM 165 O TRP A 11 0.339 -4.556 3.135 1.00 0.00 O ATOM 166 CB TRP A 11 -0.755 -5.080 0.339 1.00 0.00 C ATOM 167 CG TRP A 11 -1.541 -3.827 0.090 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.533 -3.349 0.856 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.432 -2.937 -1.055 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.043 -2.195 0.277 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.405 -1.911 -0.909 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.626 -2.911 -2.205 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.568 -0.905 -1.868 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.789 -1.907 -3.182 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.755 -0.911 -3.020 1.00 0.00 C ATOM 176 H TRP A 11 0.728 -6.981 1.303 1.00 0.00 H ATOM 177 HA TRP A 11 1.246 -4.379 -0.001 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.729 -5.620 -0.608 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.309 -5.660 1.077 1.00 0.00 H ATOM 180 HD1 TRP A 11 -2.892 -3.796 1.771 1.00 0.00 H ATOM 181 HE1 TRP A 11 -3.813 -1.674 0.673 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.070 -3.721 -2.364 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.312 -0.135 -1.732 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.199 -1.963 -4.086 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.901 -0.173 -3.795 1.00 0.00 H ATOM 186 N LYS A 12 1.355 -2.890 1.984 1.00 0.00 N ATOM 187 CA LYS A 12 1.723 -2.101 3.172 1.00 0.00 C ATOM 188 C LYS A 12 1.173 -0.672 3.078 1.00 0.00 C ATOM 189 O LYS A 12 0.895 -0.176 1.985 1.00 0.00 O ATOM 190 CB LYS A 12 3.268 -2.049 3.316 1.00 0.00 C ATOM 191 CG LYS A 12 3.973 -3.412 3.455 1.00 0.00 C ATOM 192 CD LYS A 12 3.602 -4.143 4.755 1.00 0.00 C ATOM 193 CE LYS A 12 4.242 -5.532 4.900 1.00 0.00 C ATOM 194 NZ LYS A 12 5.719 -5.502 5.022 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.701 -2.577 1.088 1.00 0.00 H ATOM 196 HA LYS A 12 1.299 -2.572 4.059 1.00 0.00 H ATOM 197 HB2 LYS A 12 3.673 -1.559 2.431 1.00 0.00 H ATOM 198 HB3 LYS A 12 3.530 -1.432 4.176 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.718 -4.037 2.601 1.00 0.00 H ATOM 200 HG3 LYS A 12 5.051 -3.251 3.441 1.00 0.00 H ATOM 201 HD2 LYS A 12 3.869 -3.532 5.617 1.00 0.00 H ATOM 202 HD3 LYS A 12 2.524 -4.293 4.792 1.00 0.00 H ATOM 203 HE2 LYS A 12 3.798 -5.999 5.780 1.00 0.00 H ATOM 204 HE3 LYS A 12 3.956 -6.138 4.041 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.172 -5.364 4.129 1.00 0.00 H ATOM 206 HZ2 LYS A 12 6.029 -4.786 5.664 1.00 0.00 H ATOM 207 HZ3 LYS A 12 6.074 -6.384 5.364 1.00 0.00 H HETATM 208 N NH2 A 13 1.004 0.001 4.204 1.00 0.00 N HETATM 209 HN1 NH2 A 13 1.270 -0.410 5.087 1.00 0.00 H HETATM 210 HN2 NH2 A 13 0.645 0.944 4.162 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 14 ATOM 1 N ALA A 1 0.451 0.151 -0.597 1.00 0.00 N ATOM 2 CA ALA A 1 1.578 0.070 -1.568 1.00 0.00 C ATOM 3 C ALA A 1 2.227 -1.319 -1.514 1.00 0.00 C ATOM 4 O ALA A 1 2.387 -1.894 -0.443 1.00 0.00 O ATOM 5 CB ALA A 1 2.621 1.147 -1.251 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.347 -0.448 -0.755 1.00 0.00 H ATOM 7 H2 ALA A 1 0.791 -0.060 0.330 1.00 0.00 H ATOM 8 H3 ALA A 1 0.093 1.096 -0.568 1.00 0.00 H ATOM 9 HA ALA A 1 1.187 0.238 -2.571 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.007 1.038 -0.237 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.452 1.068 -1.951 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.177 2.139 -1.334 1.00 0.00 H ATOM 13 N TRP A 2 2.609 -1.846 -2.680 1.00 0.00 N ATOM 14 CA TRP A 2 3.196 -3.190 -2.769 1.00 0.00 C ATOM 15 C TRP A 2 4.687 -3.161 -2.411 1.00 0.00 C ATOM 16 O TRP A 2 5.408 -2.232 -2.787 1.00 0.00 O ATOM 17 CB TRP A 2 3.009 -3.752 -4.192 1.00 0.00 C ATOM 18 CG TRP A 2 1.720 -4.487 -4.434 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.818 -4.200 -5.386 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.187 -5.624 -3.694 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.247 -5.099 -5.314 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.067 -5.999 -4.275 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.624 -6.386 -2.583 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.834 -7.081 -3.806 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.873 -7.488 -2.102 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.335 -7.842 -2.720 1.00 0.00 C ATOM 27 H TRP A 2 2.491 -1.314 -3.531 1.00 0.00 H ATOM 28 HA TRP A 2 2.686 -3.843 -2.060 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.121 -2.958 -4.930 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.809 -4.467 -4.380 1.00 0.00 H ATOM 31 HD1 TRP A 2 0.900 -3.386 -6.092 1.00 0.00 H ATOM 32 HE1 TRP A 2 -1.060 -5.022 -5.910 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.565 -6.127 -2.121 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.777 -7.331 -4.271 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.237 -8.071 -1.269 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.878 -8.698 -2.349 1.00 0.00 H ATOM 37 N ALA A 3 5.156 -4.223 -1.755 1.00 0.00 N ATOM 38 CA ALA A 3 6.580 -4.420 -1.507 1.00 0.00 C ATOM 39 C ALA A 3 6.956 -5.907 -1.668 1.00 0.00 C ATOM 40 O ALA A 3 6.207 -6.800 -1.239 1.00 0.00 O ATOM 41 CB ALA A 3 6.924 -3.950 -0.089 1.00 0.00 C ATOM 42 H ALA A 3 4.512 -4.930 -1.429 1.00 0.00 H ATOM 43 HA ALA A 3 7.155 -3.832 -2.223 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.375 -4.537 0.648 1.00 0.00 H ATOM 45 HB2 ALA A 3 7.997 -4.049 0.075 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.654 -2.899 0.026 1.00 0.00 H ATOM 47 N TRP A 4 8.096 -6.167 -2.311 1.00 0.00 N ATOM 48 CA TRP A 4 8.573 -7.537 -2.539 1.00 0.00 C ATOM 49 C TRP A 4 9.568 -7.935 -1.441 1.00 0.00 C ATOM 50 O TRP A 4 10.606 -7.287 -1.259 1.00 0.00 O ATOM 51 CB TRP A 4 9.234 -7.633 -3.920 1.00 0.00 C ATOM 52 CG TRP A 4 9.693 -8.995 -4.377 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.963 -9.325 -4.707 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.894 -10.172 -4.670 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.998 -10.613 -5.198 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.739 -11.167 -5.255 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.519 -10.508 -4.566 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.254 -12.411 -5.698 1.00 0.00 C ATOM 59 CZ3 TRP A 4 7.030 -11.744 -4.998 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.888 -12.705 -5.556 1.00 0.00 C ATOM 61 H TRP A 4 8.676 -5.403 -2.627 1.00 0.00 H ATOM 62 HA TRP A 4 7.726 -8.222 -2.512 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.513 -7.315 -4.674 1.00 0.00 H ATOM 64 HB3 TRP A 4 10.085 -6.953 -3.947 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.798 -8.642 -4.647 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.833 -11.058 -5.552 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.870 -9.759 -4.134 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.931 -13.110 -6.164 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.978 -11.978 -4.930 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.500 -13.652 -5.899 1.00 0.00 H ATOM 71 N GLU A 5 9.220 -8.973 -0.676 1.00 0.00 N ATOM 72 CA GLU A 5 9.938 -9.314 0.565 1.00 0.00 C ATOM 73 C GLU A 5 10.022 -10.839 0.746 1.00 0.00 C ATOM 74 O GLU A 5 9.005 -11.535 0.687 1.00 0.00 O ATOM 75 CB GLU A 5 9.209 -8.687 1.765 1.00 0.00 C ATOM 76 CG GLU A 5 9.941 -8.811 3.114 1.00 0.00 C ATOM 77 CD GLU A 5 9.130 -8.230 4.294 1.00 0.00 C ATOM 78 OE1 GLU A 5 8.377 -7.247 4.093 1.00 0.00 O ATOM 79 OE2 GLU A 5 9.253 -8.748 5.438 1.00 0.00 O1- ATOM 80 H GLU A 5 8.371 -9.479 -0.881 1.00 0.00 H ATOM 81 HA GLU A 5 10.950 -8.915 0.507 1.00 0.00 H ATOM 82 HB2 GLU A 5 9.074 -7.625 1.555 1.00 0.00 H ATOM 83 HB3 GLU A 5 8.227 -9.149 1.862 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.126 -9.869 3.302 1.00 0.00 H ATOM 85 HG3 GLU A 5 10.912 -8.319 3.046 1.00 0.00 H HETATM 86 N AIB A 6 11.229 -11.379 0.957 1.00 0.00 N HETATM 87 CA AIB A 6 11.514 -12.822 1.068 1.00 0.00 C HETATM 88 C AIB A 6 10.877 -13.676 -0.076 1.00 0.00 C HETATM 89 O AIB A 6 10.483 -14.829 0.136 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.044 -12.971 1.005 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.073 -13.278 2.479 1.00 0.00 C HETATM 92 H AIB A 6 12.020 -10.754 1.026 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.412 -12.641 0.034 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.511 -12.381 1.793 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.335 -14.014 1.132 1.00 0.00 H HETATM 96 HB21 AIB A 6 11.396 -14.299 2.680 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.496 -12.626 3.243 1.00 0.00 H HETATM 98 HB23 AIB A 6 9.987 -13.256 2.571 1.00 0.00 H ATOM 99 N GLY A 7 10.817 -13.093 -1.281 1.00 0.00 N ATOM 100 CA GLY A 7 10.281 -13.799 -2.458 1.00 0.00 C ATOM 101 C GLY A 7 8.736 -13.877 -2.445 1.00 0.00 C ATOM 102 O GLY A 7 8.150 -14.800 -3.026 1.00 0.00 O ATOM 103 H GLY A 7 11.163 -12.151 -1.394 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.600 -13.273 -3.358 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.687 -14.809 -2.475 1.00 0.00 H ATOM 106 N LYS A 8 8.085 -12.919 -1.761 1.00 0.00 N ATOM 107 CA LYS A 8 6.611 -12.811 -1.745 1.00 0.00 C ATOM 108 C LYS A 8 6.171 -11.338 -1.740 1.00 0.00 C ATOM 109 O LYS A 8 6.846 -10.476 -1.158 1.00 0.00 O ATOM 110 CB LYS A 8 6.054 -13.533 -0.499 1.00 0.00 C ATOM 111 CG LYS A 8 4.552 -13.797 -0.566 1.00 0.00 C ATOM 112 CD LYS A 8 4.058 -14.610 0.640 1.00 0.00 C ATOM 113 CE LYS A 8 2.542 -14.816 0.535 1.00 0.00 C ATOM 114 NZ LYS A 8 2.019 -15.638 1.659 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.615 -12.232 -1.244 1.00 0.00 H ATOM 116 HA LYS A 8 6.214 -13.295 -2.637 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.548 -14.501 -0.418 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.316 -12.956 0.388 1.00 0.00 H ATOM 119 HG2 LYS A 8 4.012 -12.850 -0.574 1.00 0.00 H ATOM 120 HG3 LYS A 8 4.315 -14.348 -1.476 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.556 -15.578 0.659 1.00 0.00 H ATOM 122 HD3 LYS A 8 4.279 -14.067 1.559 1.00 0.00 H ATOM 123 HE2 LYS A 8 2.052 -13.843 0.508 1.00 0.00 H ATOM 124 HE3 LYS A 8 2.333 -15.322 -0.408 1.00 0.00 H ATOM 125 HZ1 LYS A 8 2.177 -15.195 2.553 1.00 0.00 H ATOM 126 HZ2 LYS A 8 1.028 -15.807 1.559 1.00 0.00 H ATOM 127 HZ3 LYS A 8 2.491 -16.530 1.682 1.00 0.00 H ATOM 128 N TRP A 9 5.036 -11.049 -2.385 1.00 0.00 N ATOM 129 CA TRP A 9 4.446 -9.709 -2.354 1.00 0.00 C ATOM 130 C TRP A 9 3.672 -9.486 -1.046 1.00 0.00 C ATOM 131 O TRP A 9 2.942 -10.360 -0.585 1.00 0.00 O ATOM 132 CB TRP A 9 3.501 -9.514 -3.557 1.00 0.00 C ATOM 133 CG TRP A 9 4.145 -9.246 -4.893 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.007 -9.992 -6.005 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.978 -8.110 -5.296 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.743 -9.445 -7.041 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.342 -8.265 -6.648 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.449 -6.933 -4.628 1.00 0.00 C ATOM 139 CZ2 TRP A 9 6.165 -7.335 -7.328 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.254 -5.988 -5.296 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.631 -6.195 -6.635 1.00 0.00 C ATOM 142 H TRP A 9 4.521 -11.787 -2.844 1.00 0.00 H ATOM 143 HA TRP A 9 5.238 -8.963 -2.417 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.850 -10.385 -3.630 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.867 -8.653 -3.345 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.410 -10.888 -6.069 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.850 -9.865 -7.953 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.165 -6.766 -3.600 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.415 -7.478 -8.368 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.595 -5.094 -4.796 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.242 -5.459 -7.138 1.00 0.00 H ATOM 152 N ALA A 10 3.822 -8.286 -0.474 1.00 0.00 N ATOM 153 CA ALA A 10 3.135 -7.912 0.770 1.00 0.00 C ATOM 154 C ALA A 10 2.614 -6.475 0.691 1.00 0.00 C ATOM 155 O ALA A 10 3.354 -5.556 0.337 1.00 0.00 O ATOM 156 CB ALA A 10 4.104 -8.060 1.954 1.00 0.00 C ATOM 157 H ALA A 10 4.441 -7.611 -0.900 1.00 0.00 H ATOM 158 HA ALA A 10 2.290 -8.585 0.923 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.981 -7.432 1.800 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.590 -7.758 2.867 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.407 -9.104 2.038 1.00 0.00 H ATOM 162 N TRP A 11 1.318 -6.299 0.965 1.00 0.00 N ATOM 163 CA TRP A 11 0.646 -5.012 0.748 1.00 0.00 C ATOM 164 C TRP A 11 0.721 -4.144 2.009 1.00 0.00 C ATOM 165 O TRP A 11 0.054 -4.419 3.020 1.00 0.00 O ATOM 166 CB TRP A 11 -0.818 -5.258 0.346 1.00 0.00 C ATOM 167 CG TRP A 11 -1.627 -4.030 0.048 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.675 -3.585 0.775 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.505 -3.106 -1.052 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.231 -2.489 0.159 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.537 -2.139 -0.983 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.620 -3.005 -2.176 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.695 -1.139 -1.952 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.769 -2.026 -3.144 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.821 -1.075 -3.050 1.00 0.00 C ATOM 176 H TRP A 11 0.776 -7.072 1.326 1.00 0.00 H ATOM 177 HA TRP A 11 1.150 -4.493 -0.068 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.828 -5.856 -0.564 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.331 -5.838 1.114 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.066 -4.047 1.670 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.047 -2.011 0.513 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.179 -3.731 -2.204 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.496 -0.424 -1.844 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.100 -2.000 -3.990 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.968 -0.329 -3.817 1.00 0.00 H ATOM 186 N LYS A 12 1.570 -3.108 1.953 1.00 0.00 N ATOM 187 CA LYS A 12 1.862 -2.280 3.138 1.00 0.00 C ATOM 188 C LYS A 12 0.857 -1.115 3.243 1.00 0.00 C ATOM 189 O LYS A 12 0.429 -0.553 2.232 1.00 0.00 O ATOM 190 CB LYS A 12 3.298 -1.716 3.039 1.00 0.00 C ATOM 191 CG LYS A 12 4.415 -2.740 2.763 1.00 0.00 C ATOM 192 CD LYS A 12 4.577 -3.818 3.847 1.00 0.00 C ATOM 193 CE LYS A 12 5.768 -4.716 3.489 1.00 0.00 C ATOM 194 NZ LYS A 12 6.152 -5.639 4.599 1.00 0.00 N1+ ATOM 195 H LYS A 12 2.063 -2.913 1.093 1.00 0.00 H ATOM 196 HA LYS A 12 1.781 -2.897 4.033 1.00 0.00 H ATOM 197 HB2 LYS A 12 3.342 -0.978 2.238 1.00 0.00 H ATOM 198 HB3 LYS A 12 3.514 -1.205 3.977 1.00 0.00 H ATOM 199 HG2 LYS A 12 4.228 -3.214 1.800 1.00 0.00 H ATOM 200 HG3 LYS A 12 5.349 -2.184 2.671 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.751 -3.332 4.807 1.00 0.00 H ATOM 202 HD3 LYS A 12 3.667 -4.413 3.926 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.521 -5.291 2.596 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.622 -4.081 3.256 1.00 0.00 H ATOM 205 HZ1 LYS A 12 5.392 -6.247 4.865 1.00 0.00 H ATOM 206 HZ2 LYS A 12 6.942 -6.214 4.343 1.00 0.00 H ATOM 207 HZ3 LYS A 12 6.442 -5.124 5.417 1.00 0.00 H HETATM 208 N NH2 A 13 0.486 -0.743 4.464 1.00 0.00 N HETATM 209 HN1 NH2 A 13 0.859 -1.233 5.265 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -0.184 0.004 4.575 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 15 ATOM 1 N ALA A 1 0.524 0.235 -0.634 1.00 0.00 N ATOM 2 CA ALA A 1 1.692 0.067 -1.523 1.00 0.00 C ATOM 3 C ALA A 1 2.193 -1.380 -1.489 1.00 0.00 C ATOM 4 O ALA A 1 2.155 -2.034 -0.448 1.00 0.00 O ATOM 5 CB ALA A 1 2.821 1.024 -1.094 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.288 -0.337 -0.818 1.00 0.00 H ATOM 7 H2 ALA A 1 0.809 0.042 0.315 1.00 0.00 H ATOM 8 H3 ALA A 1 0.209 1.194 -0.670 1.00 0.00 H ATOM 9 HA ALA A 1 1.395 0.308 -2.543 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.469 2.053 -1.162 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.139 0.815 -0.073 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.677 0.914 -1.761 1.00 0.00 H ATOM 13 N TRP A 2 2.667 -1.871 -2.636 1.00 0.00 N ATOM 14 CA TRP A 2 3.252 -3.214 -2.735 1.00 0.00 C ATOM 15 C TRP A 2 4.737 -3.183 -2.351 1.00 0.00 C ATOM 16 O TRP A 2 5.461 -2.244 -2.698 1.00 0.00 O ATOM 17 CB TRP A 2 3.098 -3.749 -4.158 1.00 0.00 C ATOM 18 CG TRP A 2 1.790 -4.399 -4.451 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.926 -4.075 -5.437 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.199 -5.545 -3.754 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.166 -4.935 -5.399 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.049 -5.878 -4.402 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.581 -6.348 -2.659 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.848 -6.949 -3.983 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.786 -7.442 -2.244 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.420 -7.738 -2.898 1.00 0.00 C ATOM 27 H TRP A 2 2.672 -1.288 -3.461 1.00 0.00 H ATOM 28 HA TRP A 2 2.724 -3.879 -2.053 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.303 -2.958 -4.880 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.871 -4.502 -4.317 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.057 -3.252 -6.123 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.940 -4.848 -6.040 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.530 -6.137 -2.188 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.767 -7.178 -4.501 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.118 -8.060 -1.423 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.998 -8.584 -2.557 1.00 0.00 H ATOM 37 N ALA A 3 5.198 -4.258 -1.691 1.00 0.00 N ATOM 38 CA ALA A 3 6.633 -4.489 -1.482 1.00 0.00 C ATOM 39 C ALA A 3 6.979 -5.972 -1.717 1.00 0.00 C ATOM 40 O ALA A 3 6.225 -6.868 -1.321 1.00 0.00 O ATOM 41 CB ALA A 3 7.020 -4.081 -0.050 1.00 0.00 C ATOM 42 H ALA A 3 4.547 -4.952 -1.353 1.00 0.00 H ATOM 43 HA ALA A 3 7.200 -3.879 -2.185 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.733 -3.044 0.122 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.503 -4.721 0.666 1.00 0.00 H ATOM 46 HB3 ALA A 3 8.100 -4.180 0.054 1.00 0.00 H ATOM 47 N TRP A 4 8.133 -6.211 -2.350 1.00 0.00 N ATOM 48 CA TRP A 4 8.603 -7.575 -2.640 1.00 0.00 C ATOM 49 C TRP A 4 9.698 -7.995 -1.637 1.00 0.00 C ATOM 50 O TRP A 4 10.811 -7.480 -1.676 1.00 0.00 O ATOM 51 CB TRP A 4 9.167 -7.646 -4.073 1.00 0.00 C ATOM 52 CG TRP A 4 9.590 -8.991 -4.596 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.832 -9.299 -5.039 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.797 -10.195 -4.808 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.842 -10.591 -5.540 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.601 -11.171 -5.465 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.434 -10.515 -4.605 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.101 -12.431 -5.832 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.928 -11.771 -4.968 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.758 -12.727 -5.581 1.00 0.00 C ATOM 61 H TRP A 4 8.698 -5.440 -2.674 1.00 0.00 H ATOM 62 HA TRP A 4 7.766 -8.269 -2.555 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.387 -7.287 -4.745 1.00 0.00 H ATOM 64 HB3 TRP A 4 10.003 -6.950 -4.156 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.666 -8.615 -5.037 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.665 -11.034 -5.926 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.761 -9.784 -4.181 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.751 -13.150 -6.310 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.886 -12.017 -4.824 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.351 -13.686 -5.868 1.00 0.00 H ATOM 71 N GLU A 5 9.346 -8.889 -0.715 1.00 0.00 N ATOM 72 CA GLU A 5 10.226 -9.235 0.417 1.00 0.00 C ATOM 73 C GLU A 5 10.272 -10.759 0.619 1.00 0.00 C ATOM 74 O GLU A 5 9.236 -11.426 0.628 1.00 0.00 O ATOM 75 CB GLU A 5 9.718 -8.558 1.704 1.00 0.00 C ATOM 76 CG GLU A 5 9.769 -7.026 1.657 1.00 0.00 C ATOM 77 CD GLU A 5 9.423 -6.394 3.015 1.00 0.00 C ATOM 78 OE1 GLU A 5 10.268 -6.419 3.944 1.00 0.00 O1- ATOM 79 OE2 GLU A 5 8.298 -5.863 3.181 1.00 0.00 O ATOM 80 H GLU A 5 8.412 -9.277 -0.731 1.00 0.00 H ATOM 81 HA GLU A 5 11.233 -8.877 0.203 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.689 -8.859 1.897 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.333 -8.897 2.538 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.770 -6.721 1.348 1.00 0.00 H ATOM 85 HG3 GLU A 5 9.081 -6.658 0.896 1.00 0.00 H HETATM 86 N AIB A 6 11.484 -11.323 0.738 1.00 0.00 N HETATM 87 CA AIB A 6 11.748 -12.769 0.816 1.00 0.00 C HETATM 88 C AIB A 6 11.026 -13.593 -0.297 1.00 0.00 C HETATM 89 O AIB A 6 10.585 -14.718 -0.066 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.263 -12.951 0.643 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.415 -13.258 2.244 1.00 0.00 C HETATM 92 H AIB A 6 12.291 -10.715 0.729 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.590 -12.580 -0.328 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.809 -12.412 1.416 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.534 -14.003 0.723 1.00 0.00 H HETATM 96 HB21 AIB A 6 11.709 -14.301 2.357 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.939 -12.652 2.984 1.00 0.00 H HETATM 98 HB23 AIB A 6 10.342 -13.164 2.412 1.00 0.00 H ATOM 99 N GLY A 7 10.924 -12.999 -1.499 1.00 0.00 N ATOM 100 CA GLY A 7 10.312 -13.691 -2.651 1.00 0.00 C ATOM 101 C GLY A 7 8.774 -13.776 -2.544 1.00 0.00 C ATOM 102 O GLY A 7 8.156 -14.701 -3.073 1.00 0.00 O ATOM 103 H GLY A 7 11.340 -12.089 -1.643 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.568 -13.151 -3.562 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.713 -14.703 -2.713 1.00 0.00 H ATOM 106 N LYS A 8 8.169 -12.807 -1.829 1.00 0.00 N ATOM 107 CA LYS A 8 6.697 -12.752 -1.656 1.00 0.00 C ATOM 108 C LYS A 8 6.207 -11.287 -1.694 1.00 0.00 C ATOM 109 O LYS A 8 6.881 -10.385 -1.194 1.00 0.00 O ATOM 110 CB LYS A 8 6.305 -13.397 -0.312 1.00 0.00 C ATOM 111 CG LYS A 8 4.789 -13.582 -0.120 1.00 0.00 C ATOM 112 CD LYS A 8 4.479 -14.325 1.189 1.00 0.00 C ATOM 113 CE LYS A 8 2.965 -14.465 1.390 1.00 0.00 C ATOM 114 NZ LYS A 8 2.629 -15.200 2.637 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.731 -12.119 -1.350 1.00 0.00 H ATOM 116 HA LYS A 8 6.217 -13.306 -2.463 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.767 -14.383 -0.257 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.690 -12.799 0.513 1.00 0.00 H ATOM 119 HG2 LYS A 8 4.295 -12.611 -0.098 1.00 0.00 H ATOM 120 HG3 LYS A 8 4.380 -14.142 -0.960 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.940 -15.311 1.151 1.00 0.00 H ATOM 122 HD3 LYS A 8 4.902 -13.761 2.021 1.00 0.00 H ATOM 123 HE2 LYS A 8 2.527 -13.468 1.430 1.00 0.00 H ATOM 124 HE3 LYS A 8 2.538 -14.976 0.526 1.00 0.00 H ATOM 125 HZ1 LYS A 8 2.985 -16.145 2.615 1.00 0.00 H ATOM 126 HZ2 LYS A 8 3.006 -14.744 3.455 1.00 0.00 H ATOM 127 HZ3 LYS A 8 1.630 -15.269 2.772 1.00 0.00 H ATOM 128 N TRP A 9 5.041 -11.067 -2.304 1.00 0.00 N ATOM 129 CA TRP A 9 4.400 -9.739 -2.322 1.00 0.00 C ATOM 130 C TRP A 9 3.638 -9.485 -1.007 1.00 0.00 C ATOM 131 O TRP A 9 2.945 -10.375 -0.504 1.00 0.00 O ATOM 132 CB TRP A 9 3.432 -9.636 -3.516 1.00 0.00 C ATOM 133 CG TRP A 9 4.061 -9.348 -4.846 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.904 -10.095 -5.966 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.866 -8.187 -5.249 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.593 -9.508 -7.007 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.208 -8.331 -6.628 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.357 -7.034 -4.598 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.990 -7.386 -7.326 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.129 -6.073 -5.274 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.463 -6.256 -6.621 1.00 0.00 C ATOM 142 H TRP A 9 4.522 -11.851 -2.673 1.00 0.00 H ATOM 143 HA TRP A 9 5.172 -8.978 -2.427 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.827 -10.540 -3.587 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.740 -8.813 -3.332 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.314 -10.996 -6.039 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.653 -9.909 -7.933 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.096 -6.878 -3.561 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.221 -7.550 -8.368 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.485 -5.186 -4.771 1.00 0.00 H ATOM 151 HH2 TRP A 9 7.061 -5.509 -7.122 1.00 0.00 H ATOM 152 N ALA A 10 3.727 -8.257 -0.507 1.00 0.00 N ATOM 153 CA ALA A 10 3.052 -7.856 0.738 1.00 0.00 C ATOM 154 C ALA A 10 2.517 -6.418 0.618 1.00 0.00 C ATOM 155 O ALA A 10 3.244 -5.502 0.215 1.00 0.00 O ATOM 156 CB ALA A 10 4.032 -7.960 1.911 1.00 0.00 C ATOM 157 H ALA A 10 4.295 -7.567 -0.977 1.00 0.00 H ATOM 158 HA ALA A 10 2.220 -8.535 0.920 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.411 -8.981 1.972 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.868 -7.276 1.760 1.00 0.00 H ATOM 161 HB3 ALA A 10 3.532 -7.696 2.843 1.00 0.00 H ATOM 162 N TRP A 11 1.230 -6.243 0.911 1.00 0.00 N ATOM 163 CA TRP A 11 0.564 -4.944 0.772 1.00 0.00 C ATOM 164 C TRP A 11 0.556 -4.202 2.116 1.00 0.00 C ATOM 165 O TRP A 11 0.060 -4.718 3.120 1.00 0.00 O ATOM 166 CB TRP A 11 -0.875 -5.143 0.264 1.00 0.00 C ATOM 167 CG TRP A 11 -1.660 -3.916 -0.018 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.684 -3.428 0.715 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.498 -2.967 -1.127 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.190 -2.286 0.111 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.489 -1.967 -1.033 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.605 -2.900 -2.230 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.596 -0.913 -1.953 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.709 -1.865 -3.184 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.690 -0.866 -3.040 1.00 0.00 C ATOM 176 H TRP A 11 0.677 -7.034 1.212 1.00 0.00 H ATOM 177 HA TRP A 11 1.105 -4.341 0.042 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.818 -5.717 -0.661 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.427 -5.785 0.952 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.067 -3.886 1.615 1.00 0.00 H ATOM 181 HE1 TRP A 11 -3.967 -1.755 0.478 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.167 -3.645 -2.360 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.361 -0.158 -1.841 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.035 -1.913 -4.026 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.775 -0.078 -3.773 1.00 0.00 H ATOM 186 N LYS A 12 1.172 -3.012 2.139 1.00 0.00 N ATOM 187 CA LYS A 12 1.467 -2.302 3.403 1.00 0.00 C ATOM 188 C LYS A 12 1.586 -0.792 3.166 1.00 0.00 C ATOM 189 O LYS A 12 1.530 -0.325 2.035 1.00 0.00 O ATOM 190 CB LYS A 12 2.785 -2.855 4.003 1.00 0.00 C ATOM 191 CG LYS A 12 4.023 -2.718 3.100 1.00 0.00 C ATOM 192 CD LYS A 12 5.133 -3.732 3.434 1.00 0.00 C ATOM 193 CE LYS A 12 5.821 -3.462 4.776 1.00 0.00 C ATOM 194 NZ LYS A 12 6.739 -4.581 5.126 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.551 -2.629 1.284 1.00 0.00 H ATOM 196 HA LYS A 12 0.654 -2.475 4.108 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.986 -2.353 4.950 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.629 -3.910 4.228 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.730 -2.901 2.066 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.423 -1.706 3.164 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.698 -4.731 3.435 1.00 0.00 H ATOM 202 HD3 LYS A 12 5.889 -3.670 2.650 1.00 0.00 H ATOM 203 HE2 LYS A 12 6.382 -2.530 4.702 1.00 0.00 H ATOM 204 HE3 LYS A 12 5.071 -3.348 5.559 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.233 -5.418 5.375 1.00 0.00 H ATOM 206 HZ2 LYS A 12 7.331 -4.829 4.347 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.323 -4.342 5.915 1.00 0.00 H HETATM 208 N NH2 A 13 1.719 -0.009 4.226 1.00 0.00 N HETATM 209 HN1 NH2 A 13 1.742 -0.410 5.153 1.00 0.00 H HETATM 210 HN2 NH2 A 13 1.776 0.989 4.088 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 16 ATOM 1 N ALA A 1 0.278 0.364 -1.064 1.00 0.00 N ATOM 2 CA ALA A 1 1.569 0.172 -1.772 1.00 0.00 C ATOM 3 C ALA A 1 2.037 -1.287 -1.665 1.00 0.00 C ATOM 4 O ALA A 1 1.895 -1.917 -0.621 1.00 0.00 O ATOM 5 CB ALA A 1 2.635 1.115 -1.176 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.508 -0.197 -1.361 1.00 0.00 H ATOM 7 H2 ALA A 1 0.412 0.183 -0.079 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.007 1.330 -1.151 1.00 0.00 H ATOM 9 HA ALA A 1 1.433 0.428 -2.824 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.575 1.006 -1.718 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.304 2.150 -1.261 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.812 0.886 -0.125 1.00 0.00 H ATOM 13 N TRP A 2 2.613 -1.804 -2.752 1.00 0.00 N ATOM 14 CA TRP A 2 3.193 -3.164 -2.764 1.00 0.00 C ATOM 15 C TRP A 2 4.667 -3.139 -2.359 1.00 0.00 C ATOM 16 O TRP A 2 5.384 -2.175 -2.650 1.00 0.00 O ATOM 17 CB TRP A 2 3.046 -3.776 -4.165 1.00 0.00 C ATOM 18 CG TRP A 2 1.736 -4.426 -4.435 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.850 -4.139 -5.429 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.163 -5.575 -3.738 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.203 -5.033 -5.400 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.066 -5.949 -4.390 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.563 -6.339 -2.630 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.832 -7.046 -3.965 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.789 -7.440 -2.187 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.396 -7.787 -2.852 1.00 0.00 C ATOM 27 H TRP A 2 2.696 -1.244 -3.588 1.00 0.00 H ATOM 28 HA TRP A 2 2.650 -3.788 -2.055 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.245 -3.008 -4.912 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.797 -4.558 -4.277 1.00 0.00 H ATOM 31 HD1 TRP A 2 0.985 -3.353 -6.157 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.962 -4.967 -6.063 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.507 -6.095 -2.165 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.754 -7.306 -4.465 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.114 -8.051 -1.359 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.961 -8.638 -2.500 1.00 0.00 H ATOM 37 N ALA A 3 5.131 -4.236 -1.754 1.00 0.00 N ATOM 38 CA ALA A 3 6.572 -4.445 -1.506 1.00 0.00 C ATOM 39 C ALA A 3 6.942 -5.936 -1.686 1.00 0.00 C ATOM 40 O ALA A 3 6.181 -6.830 -1.285 1.00 0.00 O ATOM 41 CB ALA A 3 6.928 -3.983 -0.090 1.00 0.00 C ATOM 42 H ALA A 3 4.495 -4.989 -1.525 1.00 0.00 H ATOM 43 HA ALA A 3 7.142 -3.855 -2.223 1.00 0.00 H ATOM 44 HB1 ALA A 3 7.994 -4.122 0.083 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.656 -2.932 0.013 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.364 -4.566 0.638 1.00 0.00 H ATOM 47 N TRP A 4 8.120 -6.186 -2.270 1.00 0.00 N ATOM 48 CA TRP A 4 8.595 -7.549 -2.522 1.00 0.00 C ATOM 49 C TRP A 4 9.728 -7.913 -1.552 1.00 0.00 C ATOM 50 O TRP A 4 10.755 -7.216 -1.484 1.00 0.00 O ATOM 51 CB TRP A 4 9.102 -7.679 -3.971 1.00 0.00 C ATOM 52 CG TRP A 4 9.585 -9.034 -4.399 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.873 -9.367 -4.646 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.800 -10.225 -4.703 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.935 -10.668 -5.093 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.676 -11.236 -5.194 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.434 -10.536 -4.662 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.207 -12.483 -5.635 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.947 -11.782 -5.102 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.836 -12.762 -5.595 1.00 0.00 C ATOM 61 H TRP A 4 8.724 -5.414 -2.510 1.00 0.00 H ATOM 62 HA TRP A 4 7.771 -8.246 -2.376 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.285 -7.430 -4.650 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.909 -6.965 -4.136 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.712 -8.695 -4.536 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.797 -11.138 -5.330 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.733 -9.792 -4.316 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.896 -13.210 -6.039 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.892 -12.013 -5.110 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.467 -13.719 -5.932 1.00 0.00 H ATOM 71 N GLU A 5 9.528 -8.990 -0.781 1.00 0.00 N ATOM 72 CA GLU A 5 10.525 -9.439 0.208 1.00 0.00 C ATOM 73 C GLU A 5 10.373 -10.938 0.488 1.00 0.00 C ATOM 74 O GLU A 5 9.275 -11.479 0.430 1.00 0.00 O ATOM 75 CB GLU A 5 10.356 -8.635 1.524 1.00 0.00 C ATOM 76 CG GLU A 5 11.414 -8.894 2.612 1.00 0.00 C ATOM 77 CD GLU A 5 12.847 -8.568 2.128 1.00 0.00 C ATOM 78 OE1 GLU A 5 13.478 -9.431 1.483 1.00 0.00 O ATOM 79 OE2 GLU A 5 13.346 -7.448 2.394 1.00 0.00 O1- ATOM 80 H GLU A 5 8.686 -9.536 -0.891 1.00 0.00 H ATOM 81 HA GLU A 5 11.523 -9.265 -0.195 1.00 0.00 H ATOM 82 HB2 GLU A 5 10.401 -7.572 1.284 1.00 0.00 H ATOM 83 HB3 GLU A 5 9.374 -8.848 1.946 1.00 0.00 H ATOM 84 HG2 GLU A 5 11.152 -8.285 3.477 1.00 0.00 H ATOM 85 HG3 GLU A 5 11.359 -9.934 2.934 1.00 0.00 H HETATM 86 N AIB A 6 11.488 -11.627 0.767 1.00 0.00 N HETATM 87 CA AIB A 6 11.588 -13.077 0.954 1.00 0.00 C HETATM 88 C AIB A 6 10.891 -13.913 -0.155 1.00 0.00 C HETATM 89 O AIB A 6 10.438 -15.033 0.082 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.088 -13.407 0.926 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.092 -13.419 2.369 1.00 0.00 C HETATM 92 H AIB A 6 12.351 -11.112 0.861 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.226 -14.476 1.087 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.519 -13.152 -0.042 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.618 -12.860 1.705 1.00 0.00 H HETATM 96 HB21 AIB A 6 10.017 -13.249 2.428 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.296 -14.460 2.618 1.00 0.00 H HETATM 98 HB23 AIB A 6 11.584 -12.768 3.092 1.00 0.00 H ATOM 99 N GLY A 7 10.828 -13.343 -1.369 1.00 0.00 N ATOM 100 CA GLY A 7 10.246 -14.045 -2.527 1.00 0.00 C ATOM 101 C GLY A 7 8.702 -14.081 -2.488 1.00 0.00 C ATOM 102 O GLY A 7 8.090 -14.994 -3.050 1.00 0.00 O ATOM 103 H GLY A 7 11.234 -12.429 -1.511 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.562 -13.541 -3.441 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.621 -15.069 -2.550 1.00 0.00 H ATOM 106 N LYS A 8 8.090 -13.092 -1.821 1.00 0.00 N ATOM 107 CA LYS A 8 6.622 -12.901 -1.860 1.00 0.00 C ATOM 108 C LYS A 8 6.256 -11.399 -1.848 1.00 0.00 C ATOM 109 O LYS A 8 7.033 -10.561 -1.375 1.00 0.00 O ATOM 110 CB LYS A 8 5.964 -13.610 -0.659 1.00 0.00 C ATOM 111 CG LYS A 8 6.446 -13.120 0.731 1.00 0.00 C ATOM 112 CD LYS A 8 5.677 -13.753 1.894 1.00 0.00 C ATOM 113 CE LYS A 8 4.213 -13.319 1.938 1.00 0.00 C ATOM 114 NZ LYS A 8 3.521 -13.844 3.143 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.642 -12.434 -1.290 1.00 0.00 H ATOM 116 HA LYS A 8 6.240 -13.344 -2.780 1.00 0.00 H ATOM 117 HB2 LYS A 8 4.892 -13.434 -0.741 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.145 -14.682 -0.741 1.00 0.00 H ATOM 119 HG2 LYS A 8 7.498 -13.388 0.836 1.00 0.00 H ATOM 120 HG3 LYS A 8 6.335 -12.038 0.799 1.00 0.00 H ATOM 121 HD2 LYS A 8 5.734 -14.837 1.797 1.00 0.00 H ATOM 122 HD3 LYS A 8 6.165 -13.462 2.824 1.00 0.00 H ATOM 123 HE2 LYS A 8 4.173 -12.229 1.944 1.00 0.00 H ATOM 124 HE3 LYS A 8 3.703 -13.665 1.039 1.00 0.00 H ATOM 125 HZ1 LYS A 8 2.554 -13.552 3.162 1.00 0.00 H ATOM 126 HZ2 LYS A 8 3.513 -14.853 3.165 1.00 0.00 H ATOM 127 HZ3 LYS A 8 3.957 -13.515 3.993 1.00 0.00 H ATOM 128 N TRP A 9 5.056 -11.080 -2.351 1.00 0.00 N ATOM 129 CA TRP A 9 4.509 -9.715 -2.262 1.00 0.00 C ATOM 130 C TRP A 9 3.816 -9.491 -0.896 1.00 0.00 C ATOM 131 O TRP A 9 3.299 -10.435 -0.287 1.00 0.00 O ATOM 132 CB TRP A 9 3.506 -9.480 -3.413 1.00 0.00 C ATOM 133 CG TRP A 9 4.058 -9.236 -4.790 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.831 -10.004 -5.883 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.864 -8.100 -5.261 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.461 -9.443 -6.977 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.102 -8.270 -6.658 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.383 -6.936 -4.662 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.857 -7.353 -7.409 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.126 -6.004 -5.411 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.375 -6.221 -6.780 1.00 0.00 C ATOM 142 H TRP A 9 4.464 -11.806 -2.728 1.00 0.00 H ATOM 143 HA TRP A 9 5.325 -8.999 -2.362 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.793 -10.304 -3.435 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.916 -8.598 -3.166 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.199 -10.878 -5.924 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.463 -9.869 -7.894 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.191 -6.750 -3.616 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.009 -7.515 -8.465 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.509 -5.108 -4.945 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.947 -5.493 -7.338 1.00 0.00 H ATOM 152 N ALA A 10 3.799 -8.237 -0.434 1.00 0.00 N ATOM 153 CA ALA A 10 3.073 -7.847 0.784 1.00 0.00 C ATOM 154 C ALA A 10 2.535 -6.409 0.644 1.00 0.00 C ATOM 155 O ALA A 10 3.261 -5.502 0.238 1.00 0.00 O ATOM 156 CB ALA A 10 3.999 -7.947 1.996 1.00 0.00 C ATOM 157 H ALA A 10 4.266 -7.514 -0.963 1.00 0.00 H ATOM 158 HA ALA A 10 2.231 -8.526 0.925 1.00 0.00 H ATOM 159 HB1 ALA A 10 3.466 -7.644 2.897 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.321 -8.981 2.124 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.862 -7.295 1.866 1.00 0.00 H ATOM 162 N TRP A 11 1.251 -6.222 0.968 1.00 0.00 N ATOM 163 CA TRP A 11 0.581 -4.938 0.768 1.00 0.00 C ATOM 164 C TRP A 11 0.548 -4.124 2.072 1.00 0.00 C ATOM 165 O TRP A 11 0.246 -4.657 3.146 1.00 0.00 O ATOM 166 CB TRP A 11 -0.847 -5.174 0.265 1.00 0.00 C ATOM 167 CG TRP A 11 -1.669 -3.946 -0.026 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.700 -3.501 0.738 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.584 -3.036 -1.141 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.254 -2.387 0.134 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.624 -2.079 -1.052 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.737 -2.940 -2.273 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.836 -1.100 -2.039 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.945 -1.964 -3.271 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.987 -1.035 -3.151 1.00 0.00 C ATOM 176 H TRP A 11 0.710 -6.996 1.324 1.00 0.00 H ATOM 177 HA TRP A 11 1.132 -4.373 0.015 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.793 -5.732 -0.669 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.399 -5.797 0.969 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.055 -3.942 1.658 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.017 -1.860 0.534 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.000 -3.704 -2.469 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.670 -0.419 -1.956 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.298 -1.905 -4.135 1.00 0.00 H ATOM 185 HH2 TRP A 11 -2.142 -0.289 -3.916 1.00 0.00 H ATOM 186 N LYS A 12 0.916 -2.840 1.974 1.00 0.00 N ATOM 187 CA LYS A 12 1.138 -1.992 3.158 1.00 0.00 C ATOM 188 C LYS A 12 0.706 -0.531 2.880 1.00 0.00 C ATOM 189 O LYS A 12 0.582 -0.115 1.728 1.00 0.00 O ATOM 190 CB LYS A 12 2.640 -2.029 3.552 1.00 0.00 C ATOM 191 CG LYS A 12 3.625 -1.676 2.412 1.00 0.00 C ATOM 192 CD LYS A 12 5.080 -1.596 2.898 1.00 0.00 C ATOM 193 CE LYS A 12 5.600 -2.930 3.451 1.00 0.00 C ATOM 194 NZ LYS A 12 7.035 -2.836 3.826 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.158 -2.462 1.069 1.00 0.00 H ATOM 196 HA LYS A 12 0.546 -2.374 3.989 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.805 -1.363 4.399 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.869 -3.031 3.916 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.559 -2.439 1.635 1.00 0.00 H ATOM 200 HG3 LYS A 12 3.357 -0.709 1.987 1.00 0.00 H ATOM 201 HD2 LYS A 12 5.695 -1.309 2.045 1.00 0.00 H ATOM 202 HD3 LYS A 12 5.159 -0.831 3.671 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.028 -3.182 4.344 1.00 0.00 H ATOM 204 HE3 LYS A 12 5.449 -3.716 2.712 1.00 0.00 H ATOM 205 HZ1 LYS A 12 7.198 -2.105 4.502 1.00 0.00 H ATOM 206 HZ2 LYS A 12 7.345 -3.705 4.238 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.623 -2.636 3.030 1.00 0.00 H HETATM 208 N NH2 A 13 0.473 0.253 3.928 1.00 0.00 N HETATM 209 HN1 NH2 A 13 0.616 -0.112 4.859 1.00 0.00 H HETATM 210 HN2 NH2 A 13 0.173 1.204 3.769 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 17 ATOM 1 N ALA A 1 0.502 0.207 -0.542 1.00 0.00 N ATOM 2 CA ALA A 1 1.617 0.051 -1.495 1.00 0.00 C ATOM 3 C ALA A 1 2.148 -1.385 -1.464 1.00 0.00 C ATOM 4 O ALA A 1 2.047 -2.067 -0.442 1.00 0.00 O ATOM 5 CB ALA A 1 2.747 1.043 -1.165 1.00 0.00 C ATOM 6 H1 ALA A 1 0.685 -0.014 0.427 1.00 0.00 H ATOM 7 H2 ALA A 1 0.175 1.163 -0.565 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.274 -0.374 -0.825 1.00 0.00 H ATOM 9 HA ALA A 1 1.251 0.266 -2.499 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.175 0.834 -0.185 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.538 0.954 -1.910 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.349 2.057 -1.174 1.00 0.00 H ATOM 13 N TRP A 2 2.694 -1.842 -2.598 1.00 0.00 N ATOM 14 CA TRP A 2 3.282 -3.192 -2.701 1.00 0.00 C ATOM 15 C TRP A 2 4.767 -3.174 -2.306 1.00 0.00 C ATOM 16 O TRP A 2 5.484 -2.220 -2.608 1.00 0.00 O ATOM 17 CB TRP A 2 3.138 -3.704 -4.149 1.00 0.00 C ATOM 18 CG TRP A 2 1.814 -4.341 -4.467 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.952 -3.979 -5.446 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.214 -5.506 -3.824 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.148 -4.823 -5.450 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.038 -5.785 -4.468 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.573 -6.328 -2.732 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.872 -6.841 -4.048 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.745 -7.391 -2.319 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.455 -7.659 -2.984 1.00 0.00 C ATOM 27 H TRP A 2 2.754 -1.235 -3.404 1.00 0.00 H ATOM 28 HA TRP A 2 2.751 -3.871 -2.034 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.325 -2.888 -4.847 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.888 -4.476 -4.314 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.097 -3.129 -6.097 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.940 -4.688 -6.060 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.515 -6.129 -2.243 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.808 -7.016 -4.556 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.037 -8.016 -1.487 1.00 0.00 H ATOM 36 HH2 TRP A 2 -1.062 -8.498 -2.676 1.00 0.00 H ATOM 37 N ALA A 3 5.225 -4.264 -1.680 1.00 0.00 N ATOM 38 CA ALA A 3 6.649 -4.496 -1.445 1.00 0.00 C ATOM 39 C ALA A 3 7.001 -5.978 -1.702 1.00 0.00 C ATOM 40 O ALA A 3 6.275 -6.886 -1.287 1.00 0.00 O ATOM 41 CB ALA A 3 7.007 -4.105 -0.004 1.00 0.00 C ATOM 42 H ALA A 3 4.576 -4.991 -1.416 1.00 0.00 H ATOM 43 HA ALA A 3 7.222 -3.872 -2.130 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.441 -4.734 0.682 1.00 0.00 H ATOM 45 HB2 ALA A 3 8.072 -4.262 0.168 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.779 -3.052 0.168 1.00 0.00 H ATOM 47 N TRP A 4 8.115 -6.209 -2.417 1.00 0.00 N ATOM 48 CA TRP A 4 8.597 -7.572 -2.716 1.00 0.00 C ATOM 49 C TRP A 4 9.710 -7.973 -1.733 1.00 0.00 C ATOM 50 O TRP A 4 10.781 -7.357 -1.710 1.00 0.00 O ATOM 51 CB TRP A 4 9.124 -7.639 -4.157 1.00 0.00 C ATOM 52 CG TRP A 4 9.542 -8.989 -4.673 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.793 -9.299 -5.100 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.722 -10.168 -4.903 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.792 -10.595 -5.579 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.537 -11.166 -5.522 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.354 -10.481 -4.709 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.032 -12.406 -5.937 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.848 -11.755 -5.070 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.678 -12.700 -5.695 1.00 0.00 C ATOM 61 H TRP A 4 8.688 -5.428 -2.706 1.00 0.00 H ATOM 62 HA TRP A 4 7.772 -8.275 -2.611 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.306 -7.326 -4.806 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.930 -6.915 -4.273 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.630 -8.617 -5.096 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.630 -11.030 -5.935 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.697 -9.767 -4.235 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.668 -13.131 -6.423 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.804 -11.985 -4.912 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.277 -13.642 -6.039 1.00 0.00 H ATOM 71 N GLU A 5 9.425 -8.965 -0.882 1.00 0.00 N ATOM 72 CA GLU A 5 10.324 -9.341 0.225 1.00 0.00 C ATOM 73 C GLU A 5 10.360 -10.871 0.401 1.00 0.00 C ATOM 74 O GLU A 5 9.319 -11.523 0.474 1.00 0.00 O ATOM 75 CB GLU A 5 9.831 -8.681 1.532 1.00 0.00 C ATOM 76 CG GLU A 5 9.873 -7.138 1.526 1.00 0.00 C ATOM 77 CD GLU A 5 9.443 -6.505 2.860 1.00 0.00 C ATOM 78 OE1 GLU A 5 9.270 -7.213 3.885 1.00 0.00 O1- ATOM 79 OE2 GLU A 5 9.271 -5.264 2.906 1.00 0.00 O ATOM 80 H GLU A 5 8.535 -9.438 -0.955 1.00 0.00 H ATOM 81 HA GLU A 5 11.331 -8.985 0.008 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.807 -9.001 1.726 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.454 -9.044 2.351 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.890 -6.825 1.288 1.00 0.00 H ATOM 85 HG3 GLU A 5 9.214 -6.769 0.740 1.00 0.00 H HETATM 86 N AIB A 6 11.570 -11.442 0.465 1.00 0.00 N HETATM 87 CA AIB A 6 11.835 -12.877 0.553 1.00 0.00 C HETATM 88 C AIB A 6 11.016 -13.693 -0.496 1.00 0.00 C HETATM 89 O AIB A 6 10.459 -14.749 -0.188 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.334 -13.063 0.288 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.587 -13.327 2.011 1.00 0.00 C HETATM 92 H AIB A 6 12.381 -10.841 0.412 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.911 -12.481 1.007 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.604 -14.116 0.368 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.585 -12.727 -0.718 1.00 0.00 H HETATM 96 HB21 AIB A 6 12.179 -12.721 2.696 1.00 0.00 H HETATM 97 HB22 AIB A 6 10.533 -13.201 2.264 1.00 0.00 H HETATM 98 HB23 AIB A 6 11.859 -14.376 2.122 1.00 0.00 H ATOM 99 N GLY A 7 10.926 -13.155 -1.725 1.00 0.00 N ATOM 100 CA GLY A 7 10.246 -13.857 -2.831 1.00 0.00 C ATOM 101 C GLY A 7 8.713 -13.878 -2.665 1.00 0.00 C ATOM 102 O GLY A 7 8.034 -14.737 -3.231 1.00 0.00 O ATOM 103 H GLY A 7 11.400 -12.287 -1.923 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.484 -13.359 -3.771 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.606 -14.884 -2.889 1.00 0.00 H ATOM 106 N LYS A 8 8.178 -12.929 -1.870 1.00 0.00 N ATOM 107 CA LYS A 8 6.716 -12.806 -1.667 1.00 0.00 C ATOM 108 C LYS A 8 6.279 -11.333 -1.756 1.00 0.00 C ATOM 109 O LYS A 8 7.019 -10.434 -1.367 1.00 0.00 O ATOM 110 CB LYS A 8 6.329 -13.384 -0.292 1.00 0.00 C ATOM 111 CG LYS A 8 6.501 -14.911 -0.220 1.00 0.00 C ATOM 112 CD LYS A 8 6.267 -15.490 1.189 1.00 0.00 C ATOM 113 CE LYS A 8 7.370 -15.116 2.199 1.00 0.00 C ATOM 114 NZ LYS A 8 8.678 -15.764 1.897 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.785 -12.292 -1.374 1.00 0.00 H ATOM 116 HA LYS A 8 6.200 -13.376 -2.439 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.924 -12.886 0.474 1.00 0.00 H ATOM 118 HB3 LYS A 8 5.288 -13.147 -0.072 1.00 0.00 H ATOM 119 HG2 LYS A 8 5.786 -15.383 -0.892 1.00 0.00 H ATOM 120 HG3 LYS A 8 7.508 -15.189 -0.532 1.00 0.00 H ATOM 121 HD2 LYS A 8 5.309 -15.135 1.564 1.00 0.00 H ATOM 122 HD3 LYS A 8 6.209 -16.577 1.121 1.00 0.00 H ATOM 123 HE2 LYS A 8 7.495 -14.033 2.218 1.00 0.00 H ATOM 124 HE3 LYS A 8 7.030 -15.413 3.191 1.00 0.00 H ATOM 125 HZ1 LYS A 8 9.345 -15.623 2.642 1.00 0.00 H ATOM 126 HZ2 LYS A 8 8.566 -16.761 1.782 1.00 0.00 H ATOM 127 HZ3 LYS A 8 9.092 -15.407 1.048 1.00 0.00 H ATOM 128 N TRP A 9 5.059 -11.105 -2.254 1.00 0.00 N ATOM 129 CA TRP A 9 4.448 -9.761 -2.248 1.00 0.00 C ATOM 130 C TRP A 9 3.736 -9.494 -0.906 1.00 0.00 C ATOM 131 O TRP A 9 3.214 -10.412 -0.269 1.00 0.00 O ATOM 132 CB TRP A 9 3.444 -9.627 -3.407 1.00 0.00 C ATOM 133 CG TRP A 9 4.001 -9.322 -4.773 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.776 -10.041 -5.904 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.796 -8.168 -5.207 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.440 -9.458 -6.970 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.073 -8.288 -6.590 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.300 -7.009 -4.556 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.818 -7.336 -7.313 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.031 -6.040 -5.278 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.302 -6.212 -6.648 1.00 0.00 C ATOM 142 H TRP A 9 4.488 -11.886 -2.543 1.00 0.00 H ATOM 143 HA TRP A 9 5.234 -9.016 -2.376 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.864 -10.548 -3.461 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.742 -8.819 -3.198 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.169 -10.933 -5.968 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.460 -9.853 -7.899 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.089 -6.839 -3.511 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.005 -7.453 -8.370 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.407 -5.167 -4.768 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.877 -5.476 -7.190 1.00 0.00 H ATOM 152 N ALA A 10 3.709 -8.215 -0.494 1.00 0.00 N ATOM 153 CA ALA A 10 3.020 -7.806 0.727 1.00 0.00 C ATOM 154 C ALA A 10 2.455 -6.375 0.573 1.00 0.00 C ATOM 155 O ALA A 10 3.161 -5.465 0.125 1.00 0.00 O ATOM 156 CB ALA A 10 3.997 -7.866 1.918 1.00 0.00 C ATOM 157 H ALA A 10 4.189 -7.510 -1.034 1.00 0.00 H ATOM 158 HA ALA A 10 2.197 -8.495 0.913 1.00 0.00 H ATOM 159 HB1 ALA A 10 3.511 -7.504 2.824 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.316 -8.895 2.090 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.880 -7.256 1.726 1.00 0.00 H ATOM 162 N TRP A 11 1.181 -6.197 0.933 1.00 0.00 N ATOM 163 CA TRP A 11 0.492 -4.926 0.757 1.00 0.00 C ATOM 164 C TRP A 11 0.383 -4.177 2.102 1.00 0.00 C ATOM 165 O TRP A 11 -0.228 -4.675 3.060 1.00 0.00 O ATOM 166 CB TRP A 11 -0.908 -5.173 0.185 1.00 0.00 C ATOM 167 CG TRP A 11 -1.702 -3.952 -0.156 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.837 -3.543 0.453 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.497 -3.008 -1.256 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.346 -2.431 -0.181 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.565 -2.055 -1.250 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.550 -2.888 -2.287 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.678 -1.030 -2.210 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.653 -1.874 -3.259 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.712 -0.945 -3.225 1.00 0.00 C ATOM 176 H TRP A 11 0.654 -6.978 1.297 1.00 0.00 H ATOM 177 HA TRP A 11 1.052 -4.310 0.053 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.790 -5.749 -0.733 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.495 -5.778 0.875 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.280 -4.036 1.305 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.197 -1.974 0.113 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.259 -3.603 -2.326 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.513 -0.347 -2.165 1.00 0.00 H ATOM 184 HZ3 TRP A 11 0.067 -1.821 -4.063 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.799 -0.176 -3.980 1.00 0.00 H ATOM 186 N LYS A 12 1.020 -3.003 2.176 1.00 0.00 N ATOM 187 CA LYS A 12 1.170 -2.263 3.454 1.00 0.00 C ATOM 188 C LYS A 12 1.371 -0.760 3.196 1.00 0.00 C ATOM 189 O LYS A 12 1.567 -0.330 2.061 1.00 0.00 O ATOM 190 CB LYS A 12 2.385 -2.830 4.247 1.00 0.00 C ATOM 191 CG LYS A 12 3.709 -2.912 3.476 1.00 0.00 C ATOM 192 CD LYS A 12 4.810 -3.465 4.383 1.00 0.00 C ATOM 193 CE LYS A 12 6.087 -3.739 3.575 1.00 0.00 C ATOM 194 NZ LYS A 12 7.192 -4.225 4.436 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.498 -2.641 1.364 1.00 0.00 H ATOM 196 HA LYS A 12 0.269 -2.397 4.053 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.539 -2.234 5.147 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.123 -3.834 4.579 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.591 -3.577 2.620 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.003 -1.929 3.108 1.00 0.00 H ATOM 201 HD2 LYS A 12 5.019 -2.752 5.180 1.00 0.00 H ATOM 202 HD3 LYS A 12 4.468 -4.413 4.800 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.853 -4.488 2.818 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.395 -2.818 3.081 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.921 -5.062 4.932 1.00 0.00 H ATOM 206 HZ2 LYS A 12 8.001 -4.477 3.888 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.473 -3.530 5.114 1.00 0.00 H HETATM 208 N NH2 A 13 1.327 0.062 4.234 1.00 0.00 N HETATM 209 HN1 NH2 A 13 1.194 -0.310 5.162 1.00 0.00 H HETATM 210 HN2 NH2 A 13 1.430 1.054 4.074 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 18 ATOM 1 N ALA A 1 0.469 0.477 -0.997 1.00 0.00 N ATOM 2 CA ALA A 1 1.625 0.189 -1.889 1.00 0.00 C ATOM 3 C ALA A 1 2.098 -1.262 -1.706 1.00 0.00 C ATOM 4 O ALA A 1 1.949 -1.843 -0.629 1.00 0.00 O ATOM 5 CB ALA A 1 2.770 1.162 -1.585 1.00 0.00 C ATOM 6 H1 ALA A 1 0.625 0.393 -0.001 1.00 0.00 H ATOM 7 H2 ALA A 1 0.133 1.415 -1.167 1.00 0.00 H ATOM 8 H3 ALA A 1 -0.284 -0.158 -1.215 1.00 0.00 H ATOM 9 HA ALA A 1 1.312 0.324 -2.924 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.617 0.973 -2.245 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.440 2.188 -1.748 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.096 1.052 -0.551 1.00 0.00 H ATOM 13 N TRP A 2 2.690 -1.829 -2.772 1.00 0.00 N ATOM 14 CA TRP A 2 3.251 -3.189 -2.731 1.00 0.00 C ATOM 15 C TRP A 2 4.742 -3.161 -2.333 1.00 0.00 C ATOM 16 O TRP A 2 5.458 -2.212 -2.642 1.00 0.00 O ATOM 17 CB TRP A 2 3.100 -3.856 -4.112 1.00 0.00 C ATOM 18 CG TRP A 2 1.762 -4.485 -4.384 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.880 -4.165 -5.360 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.166 -5.617 -3.681 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.210 -5.023 -5.319 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.064 -5.958 -4.315 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.555 -6.387 -2.562 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.846 -7.039 -3.878 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.778 -7.485 -2.128 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.407 -7.823 -2.802 1.00 0.00 C ATOM 27 H TRP A 2 2.791 -1.297 -3.625 1.00 0.00 H ATOM 28 HA TRP A 2 2.702 -3.775 -1.995 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.332 -3.141 -4.902 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.828 -4.663 -4.182 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.010 -3.353 -6.059 1.00 0.00 H ATOM 32 HE1 TRP A 2 -1.006 -4.968 -5.938 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.487 -6.122 -2.083 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.773 -7.277 -4.379 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.109 -8.080 -1.289 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.969 -8.678 -2.455 1.00 0.00 H ATOM 37 N ALA A 3 5.200 -4.241 -1.692 1.00 0.00 N ATOM 38 CA ALA A 3 6.637 -4.467 -1.455 1.00 0.00 C ATOM 39 C ALA A 3 6.994 -5.948 -1.692 1.00 0.00 C ATOM 40 O ALA A 3 6.255 -6.843 -1.288 1.00 0.00 O ATOM 41 CB ALA A 3 6.996 -4.062 -0.013 1.00 0.00 C ATOM 42 H ALA A 3 4.556 -4.966 -1.410 1.00 0.00 H ATOM 43 HA ALA A 3 7.212 -3.857 -2.151 1.00 0.00 H ATOM 44 HB1 ALA A 3 8.071 -4.159 0.142 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.707 -3.027 0.168 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.462 -4.700 0.690 1.00 0.00 H ATOM 47 N TRP A 4 8.124 -6.183 -2.363 1.00 0.00 N ATOM 48 CA TRP A 4 8.609 -7.536 -2.648 1.00 0.00 C ATOM 49 C TRP A 4 9.686 -7.951 -1.624 1.00 0.00 C ATOM 50 O TRP A 4 10.758 -7.342 -1.547 1.00 0.00 O ATOM 51 CB TRP A 4 9.184 -7.597 -4.078 1.00 0.00 C ATOM 52 CG TRP A 4 9.620 -8.934 -4.599 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.867 -9.239 -5.018 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.812 -10.122 -4.871 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.882 -10.520 -5.544 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.635 -11.091 -5.523 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.465 -10.469 -4.635 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.127 -12.317 -5.980 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.960 -11.724 -5.049 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.783 -12.633 -5.730 1.00 0.00 C ATOM 61 H TRP A 4 8.691 -5.403 -2.660 1.00 0.00 H ATOM 62 HA TRP A 4 7.770 -8.229 -2.578 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.409 -7.246 -4.760 1.00 0.00 H ATOM 64 HB3 TRP A 4 10.015 -6.894 -4.152 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.722 -8.580 -4.978 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.712 -10.961 -5.914 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.797 -9.733 -4.213 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.755 -13.040 -6.477 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.923 -11.970 -4.875 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.375 -13.571 -6.075 1.00 0.00 H ATOM 71 N GLU A 5 9.373 -8.968 -0.818 1.00 0.00 N ATOM 72 CA GLU A 5 10.217 -9.357 0.325 1.00 0.00 C ATOM 73 C GLU A 5 10.337 -10.896 0.405 1.00 0.00 C ATOM 74 O GLU A 5 9.328 -11.599 0.434 1.00 0.00 O ATOM 75 CB GLU A 5 9.610 -8.815 1.629 1.00 0.00 C ATOM 76 CG GLU A 5 9.577 -7.286 1.729 1.00 0.00 C ATOM 77 CD GLU A 5 9.051 -6.836 3.104 1.00 0.00 C ATOM 78 OE1 GLU A 5 9.819 -6.893 4.097 1.00 0.00 O ATOM 79 OE2 GLU A 5 7.877 -6.402 3.205 1.00 0.00 O1- ATOM 80 H GLU A 5 8.480 -9.427 -0.926 1.00 0.00 H ATOM 81 HA GLU A 5 11.211 -8.931 0.195 1.00 0.00 H ATOM 82 HB2 GLU A 5 8.596 -9.197 1.753 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.209 -9.185 2.461 1.00 0.00 H ATOM 84 HG2 GLU A 5 10.585 -6.892 1.596 1.00 0.00 H ATOM 85 HG3 GLU A 5 8.955 -6.883 0.930 1.00 0.00 H HETATM 86 N AIB A 6 11.565 -11.422 0.440 1.00 0.00 N HETATM 87 CA AIB A 6 11.886 -12.854 0.474 1.00 0.00 C HETATM 88 C AIB A 6 11.113 -13.690 -0.591 1.00 0.00 C HETATM 89 O AIB A 6 10.760 -14.844 -0.343 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.389 -12.956 0.172 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.707 -13.365 1.917 1.00 0.00 C HETATM 92 H AIB A 6 12.357 -10.794 0.441 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.700 -14.000 0.210 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.598 -12.579 -0.829 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.955 -12.397 0.916 1.00 0.00 H HETATM 96 HB21 AIB A 6 12.057 -14.395 1.998 1.00 0.00 H HETATM 97 HB22 AIB A 6 12.274 -12.745 2.610 1.00 0.00 H HETATM 98 HB23 AIB A 6 10.653 -13.343 2.197 1.00 0.00 H ATOM 99 N GLY A 7 10.877 -13.085 -1.765 1.00 0.00 N ATOM 100 CA GLY A 7 10.216 -13.789 -2.873 1.00 0.00 C ATOM 101 C GLY A 7 8.690 -13.852 -2.710 1.00 0.00 C ATOM 102 O GLY A 7 8.026 -14.728 -3.291 1.00 0.00 O ATOM 103 H GLY A 7 11.240 -12.157 -1.931 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.449 -13.274 -3.805 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.602 -14.806 -2.927 1.00 0.00 H ATOM 106 N LYS A 8 8.135 -12.922 -1.914 1.00 0.00 N ATOM 107 CA LYS A 8 6.677 -12.807 -1.732 1.00 0.00 C ATOM 108 C LYS A 8 6.243 -11.323 -1.776 1.00 0.00 C ATOM 109 O LYS A 8 6.975 -10.445 -1.323 1.00 0.00 O ATOM 110 CB LYS A 8 6.262 -13.422 -0.382 1.00 0.00 C ATOM 111 CG LYS A 8 6.544 -14.938 -0.281 1.00 0.00 C ATOM 112 CD LYS A 8 6.129 -15.527 1.079 1.00 0.00 C ATOM 113 CE LYS A 8 7.033 -15.024 2.205 1.00 0.00 C ATOM 114 NZ LYS A 8 6.682 -15.651 3.506 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.727 -12.256 -1.438 1.00 0.00 H ATOM 116 HA LYS A 8 6.176 -13.345 -2.537 1.00 0.00 H ATOM 117 HB2 LYS A 8 6.791 -12.902 0.417 1.00 0.00 H ATOM 118 HB3 LYS A 8 5.190 -13.279 -0.249 1.00 0.00 H ATOM 119 HG2 LYS A 8 6.008 -15.452 -1.079 1.00 0.00 H ATOM 120 HG3 LYS A 8 7.608 -15.124 -0.418 1.00 0.00 H ATOM 121 HD2 LYS A 8 5.093 -15.267 1.296 1.00 0.00 H ATOM 122 HD3 LYS A 8 6.214 -16.612 1.016 1.00 0.00 H ATOM 123 HE2 LYS A 8 8.071 -15.234 1.951 1.00 0.00 H ATOM 124 HE3 LYS A 8 6.917 -13.943 2.270 1.00 0.00 H ATOM 125 HZ1 LYS A 8 7.288 -15.334 4.248 1.00 0.00 H ATOM 126 HZ2 LYS A 8 5.740 -15.425 3.793 1.00 0.00 H ATOM 127 HZ3 LYS A 8 6.779 -16.655 3.448 1.00 0.00 H ATOM 128 N TRP A 9 5.035 -11.074 -2.289 1.00 0.00 N ATOM 129 CA TRP A 9 4.433 -9.729 -2.254 1.00 0.00 C ATOM 130 C TRP A 9 3.687 -9.503 -0.927 1.00 0.00 C ATOM 131 O TRP A 9 3.037 -10.407 -0.404 1.00 0.00 O ATOM 132 CB TRP A 9 3.455 -9.553 -3.435 1.00 0.00 C ATOM 133 CG TRP A 9 4.053 -9.258 -4.770 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.893 -10.006 -5.902 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.866 -8.102 -5.186 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.583 -9.441 -6.934 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.186 -8.252 -6.570 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.346 -6.948 -4.546 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.958 -7.308 -7.273 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.119 -5.976 -5.235 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.428 -6.172 -6.604 1.00 0.00 C ATOM 142 H TRP A 9 4.456 -11.845 -2.591 1.00 0.00 H ATOM 143 HA TRP A 9 5.222 -8.983 -2.340 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.818 -10.434 -3.515 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.797 -8.721 -3.188 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.299 -10.906 -5.950 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.650 -9.826 -7.865 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.105 -6.767 -3.508 1.00 0.00 H ATOM 149 HZ2 TRP A 9 6.197 -7.459 -8.316 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.459 -5.086 -4.726 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.996 -5.417 -7.127 1.00 0.00 H ATOM 152 N ALA A 10 3.764 -8.269 -0.408 1.00 0.00 N ATOM 153 CA ALA A 10 3.036 -7.877 0.805 1.00 0.00 C ATOM 154 C ALA A 10 2.492 -6.440 0.669 1.00 0.00 C ATOM 155 O ALA A 10 3.228 -5.523 0.272 1.00 0.00 O ATOM 156 CB ALA A 10 3.986 -7.964 2.013 1.00 0.00 C ATOM 157 H ALA A 10 4.308 -7.579 -0.907 1.00 0.00 H ATOM 158 HA ALA A 10 2.205 -8.564 0.967 1.00 0.00 H ATOM 159 HB1 ALA A 10 3.447 -7.664 2.911 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.333 -8.988 2.150 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.850 -7.313 1.880 1.00 0.00 H ATOM 162 N TRP A 11 1.198 -6.263 0.959 1.00 0.00 N ATOM 163 CA TRP A 11 0.532 -4.977 0.744 1.00 0.00 C ATOM 164 C TRP A 11 0.533 -4.137 2.031 1.00 0.00 C ATOM 165 O TRP A 11 0.134 -4.620 3.104 1.00 0.00 O ATOM 166 CB TRP A 11 -0.905 -5.214 0.284 1.00 0.00 C ATOM 167 CG TRP A 11 -1.713 -3.999 -0.044 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.794 -3.581 0.633 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.562 -3.076 -1.155 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.331 -2.456 0.017 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.620 -2.110 -1.115 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.672 -2.981 -2.246 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.755 -1.096 -2.086 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.820 -1.995 -3.246 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.855 -1.048 -3.158 1.00 0.00 C ATOM 176 H TRP A 11 0.649 -7.043 1.289 1.00 0.00 H ATOM 177 HA TRP A 11 1.069 -4.437 -0.036 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.917 -5.855 -0.597 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.440 -5.774 1.050 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.218 -4.063 1.501 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.176 -2.002 0.334 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.134 -3.695 -2.327 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.571 -0.395 -1.995 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.143 -2.005 -4.087 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.972 -0.322 -3.950 1.00 0.00 H ATOM 186 N LYS A 12 0.940 -2.866 1.908 1.00 0.00 N ATOM 187 CA LYS A 12 1.195 -1.998 3.086 1.00 0.00 C ATOM 188 C LYS A 12 0.035 -0.995 3.302 1.00 0.00 C ATOM 189 O LYS A 12 0.113 -0.110 4.159 1.00 0.00 O ATOM 190 CB LYS A 12 2.527 -1.236 2.890 1.00 0.00 C ATOM 191 CG LYS A 12 3.748 -2.112 2.558 1.00 0.00 C ATOM 192 CD LYS A 12 4.075 -3.176 3.610 1.00 0.00 C ATOM 193 CE LYS A 12 5.269 -3.997 3.145 1.00 0.00 C ATOM 194 NZ LYS A 12 5.752 -4.942 4.180 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.214 -2.522 0.999 1.00 0.00 H ATOM 196 HA LYS A 12 1.278 -2.630 3.970 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.432 -0.499 2.093 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.745 -0.707 3.818 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.609 -2.586 1.586 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.602 -1.443 2.456 1.00 0.00 H ATOM 201 HD2 LYS A 12 4.300 -2.690 4.558 1.00 0.00 H ATOM 202 HD3 LYS A 12 3.224 -3.844 3.745 1.00 0.00 H ATOM 203 HE2 LYS A 12 4.978 -4.524 2.236 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.070 -3.316 2.857 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.057 -4.452 5.009 1.00 0.00 H ATOM 206 HZ2 LYS A 12 5.028 -5.604 4.418 1.00 0.00 H ATOM 207 HZ3 LYS A 12 6.539 -5.473 3.835 1.00 0.00 H HETATM 208 N NH2 A 13 -1.038 -1.078 2.533 1.00 0.00 N HETATM 209 HN1 NH2 A 13 -1.127 -1.825 1.859 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -1.792 -0.424 2.689 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 19 ATOM 1 N ALA A 1 0.212 0.304 -1.162 1.00 0.00 N ATOM 2 CA ALA A 1 1.464 0.121 -1.930 1.00 0.00 C ATOM 3 C ALA A 1 2.019 -1.300 -1.746 1.00 0.00 C ATOM 4 O ALA A 1 1.892 -1.891 -0.683 1.00 0.00 O ATOM 5 CB ALA A 1 2.516 1.157 -1.482 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.241 1.205 -1.223 1.00 0.00 H ATOM 7 H2 ALA A 1 -0.469 -0.381 -1.458 1.00 0.00 H ATOM 8 H3 ALA A 1 0.395 0.130 -0.184 1.00 0.00 H ATOM 9 HA ALA A 1 1.251 0.277 -2.988 1.00 0.00 H ATOM 10 HB1 ALA A 1 2.136 2.166 -1.647 1.00 0.00 H ATOM 11 HB2 ALA A 1 2.760 1.027 -0.428 1.00 0.00 H ATOM 12 HB3 ALA A 1 3.418 1.030 -2.082 1.00 0.00 H ATOM 13 N TRP A 2 2.628 -1.844 -2.807 1.00 0.00 N ATOM 14 CA TRP A 2 3.199 -3.201 -2.773 1.00 0.00 C ATOM 15 C TRP A 2 4.683 -3.165 -2.359 1.00 0.00 C ATOM 16 O TRP A 2 5.401 -2.202 -2.649 1.00 0.00 O ATOM 17 CB TRP A 2 3.059 -3.850 -4.162 1.00 0.00 C ATOM 18 CG TRP A 2 1.750 -4.514 -4.440 1.00 0.00 C ATOM 19 CD1 TRP A 2 0.872 -4.213 -5.434 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.163 -5.654 -3.723 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.188 -5.101 -5.399 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.061 -6.018 -4.366 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.531 -6.404 -2.588 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.856 -7.096 -3.924 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.768 -7.495 -2.137 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.414 -7.846 -2.809 1.00 0.00 C ATOM 27 H TRP A 2 2.728 -1.307 -3.657 1.00 0.00 H ATOM 28 HA TRP A 2 2.645 -3.800 -2.050 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.280 -3.111 -4.932 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.818 -4.628 -4.252 1.00 0.00 H ATOM 31 HD1 TRP A 2 0.976 -3.406 -6.144 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.969 -5.070 -6.039 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.449 -6.116 -2.096 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.776 -7.338 -4.435 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.084 -8.068 -1.278 1.00 0.00 H ATOM 36 HH2 TRP A 2 -0.974 -8.695 -2.444 1.00 0.00 H ATOM 37 N ALA A 3 5.143 -4.253 -1.723 1.00 0.00 N ATOM 38 CA ALA A 3 6.568 -4.452 -1.451 1.00 0.00 C ATOM 39 C ALA A 3 6.954 -5.933 -1.648 1.00 0.00 C ATOM 40 O ALA A 3 6.220 -6.834 -1.240 1.00 0.00 O ATOM 41 CB ALA A 3 6.896 -4.007 -0.016 1.00 0.00 C ATOM 42 H ALA A 3 4.499 -4.975 -1.432 1.00 0.00 H ATOM 43 HA ALA A 3 7.151 -3.847 -2.145 1.00 0.00 H ATOM 44 HB1 ALA A 3 6.332 -4.607 0.696 1.00 0.00 H ATOM 45 HB2 ALA A 3 7.965 -4.137 0.160 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.632 -2.957 0.111 1.00 0.00 H ATOM 47 N TRP A 4 8.118 -6.165 -2.252 1.00 0.00 N ATOM 48 CA TRP A 4 8.605 -7.538 -2.534 1.00 0.00 C ATOM 49 C TRP A 4 9.745 -7.913 -1.581 1.00 0.00 C ATOM 50 O TRP A 4 10.761 -7.208 -1.496 1.00 0.00 O ATOM 51 CB TRP A 4 9.094 -7.629 -3.989 1.00 0.00 C ATOM 52 CG TRP A 4 9.546 -8.965 -4.507 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.810 -9.270 -4.867 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.753 -10.151 -4.791 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.851 -10.560 -5.382 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.603 -11.125 -5.414 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.382 -10.497 -4.665 1.00 0.00 C ATOM 58 CZ2 TRP A 4 9.125 -12.362 -5.874 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.899 -11.742 -5.110 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.757 -12.664 -5.735 1.00 0.00 C ATOM 61 H TRP A 4 8.689 -5.387 -2.553 1.00 0.00 H ATOM 62 HA TRP A 4 7.785 -8.243 -2.398 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.281 -7.323 -4.647 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.897 -6.909 -4.144 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.662 -8.610 -4.792 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.690 -11.001 -5.732 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.715 -9.793 -4.190 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.787 -13.074 -6.345 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.844 -11.951 -5.014 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.378 -13.615 -6.078 1.00 0.00 H ATOM 71 N GLU A 5 9.557 -9.009 -0.843 1.00 0.00 N ATOM 72 CA GLU A 5 10.545 -9.466 0.147 1.00 0.00 C ATOM 73 C GLU A 5 10.450 -10.989 0.337 1.00 0.00 C ATOM 74 O GLU A 5 9.366 -11.562 0.262 1.00 0.00 O ATOM 75 CB GLU A 5 10.306 -8.750 1.499 1.00 0.00 C ATOM 76 CG GLU A 5 11.330 -9.053 2.601 1.00 0.00 C ATOM 77 CD GLU A 5 12.770 -8.679 2.172 1.00 0.00 C ATOM 78 OE1 GLU A 5 13.423 -9.517 1.493 1.00 0.00 O ATOM 79 OE2 GLU A 5 13.244 -7.567 2.499 1.00 0.00 O1- ATOM 80 H GLU A 5 8.702 -9.536 -0.945 1.00 0.00 H ATOM 81 HA GLU A 5 11.544 -9.220 -0.212 1.00 0.00 H ATOM 82 HB2 GLU A 5 10.329 -7.676 1.316 1.00 0.00 H ATOM 83 HB3 GLU A 5 9.319 -9.005 1.888 1.00 0.00 H ATOM 84 HG2 GLU A 5 11.062 -8.482 3.490 1.00 0.00 H ATOM 85 HG3 GLU A 5 11.272 -10.104 2.880 1.00 0.00 H HETATM 86 N AIB A 6 11.583 -11.662 0.561 1.00 0.00 N HETATM 87 CA AIB A 6 11.701 -13.121 0.672 1.00 0.00 C HETATM 88 C AIB A 6 10.986 -13.908 -0.467 1.00 0.00 C HETATM 89 O AIB A 6 10.581 -15.063 -0.284 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.205 -13.425 0.613 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.210 -13.550 2.070 1.00 0.00 C HETATM 92 H AIB A 6 12.431 -11.122 0.671 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.384 -14.491 0.755 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.623 -13.116 -0.344 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.733 -12.875 1.393 1.00 0.00 H HETATM 96 HB21 AIB A 6 10.127 -13.438 2.137 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.453 -14.598 2.243 1.00 0.00 H HETATM 98 HB23 AIB A 6 11.696 -12.939 2.831 1.00 0.00 H ATOM 99 N GLY A 7 10.872 -13.273 -1.650 1.00 0.00 N ATOM 100 CA GLY A 7 10.263 -13.926 -2.817 1.00 0.00 C ATOM 101 C GLY A 7 8.717 -13.982 -2.739 1.00 0.00 C ATOM 102 O GLY A 7 8.091 -14.850 -3.364 1.00 0.00 O ATOM 103 H GLY A 7 11.264 -12.348 -1.760 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.545 -13.380 -3.718 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.644 -14.945 -2.887 1.00 0.00 H ATOM 106 N LYS A 8 8.117 -13.062 -1.968 1.00 0.00 N ATOM 107 CA LYS A 8 6.652 -12.898 -1.930 1.00 0.00 C ATOM 108 C LYS A 8 6.266 -11.406 -1.850 1.00 0.00 C ATOM 109 O LYS A 8 7.042 -10.572 -1.391 1.00 0.00 O ATOM 110 CB LYS A 8 6.065 -13.662 -0.731 1.00 0.00 C ATOM 111 CG LYS A 8 6.609 -13.253 0.644 1.00 0.00 C ATOM 112 CD LYS A 8 5.914 -14.015 1.776 1.00 0.00 C ATOM 113 CE LYS A 8 6.494 -13.613 3.139 1.00 0.00 C ATOM 114 NZ LYS A 8 5.883 -14.405 4.246 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.680 -12.416 -1.431 1.00 0.00 H ATOM 116 HA LYS A 8 6.230 -13.316 -2.845 1.00 0.00 H ATOM 117 HB2 LYS A 8 4.983 -13.526 -0.743 1.00 0.00 H ATOM 118 HB3 LYS A 8 6.234 -14.730 -0.868 1.00 0.00 H ATOM 119 HG2 LYS A 8 7.671 -13.496 0.690 1.00 0.00 H ATOM 120 HG3 LYS A 8 6.482 -12.184 0.817 1.00 0.00 H ATOM 121 HD2 LYS A 8 4.846 -13.794 1.746 1.00 0.00 H ATOM 122 HD3 LYS A 8 6.037 -15.085 1.616 1.00 0.00 H ATOM 123 HE2 LYS A 8 7.563 -13.824 3.112 1.00 0.00 H ATOM 124 HE3 LYS A 8 6.325 -12.547 3.290 1.00 0.00 H ATOM 125 HZ1 LYS A 8 6.022 -15.394 4.095 1.00 0.00 H ATOM 126 HZ2 LYS A 8 6.289 -14.171 5.141 1.00 0.00 H ATOM 127 HZ3 LYS A 8 4.886 -14.259 4.314 1.00 0.00 H ATOM 128 N TRP A 9 5.040 -11.090 -2.297 1.00 0.00 N ATOM 129 CA TRP A 9 4.491 -9.730 -2.202 1.00 0.00 C ATOM 130 C TRP A 9 3.800 -9.512 -0.845 1.00 0.00 C ATOM 131 O TRP A 9 3.220 -10.438 -0.270 1.00 0.00 O ATOM 132 CB TRP A 9 3.477 -9.496 -3.340 1.00 0.00 C ATOM 133 CG TRP A 9 4.039 -9.225 -4.700 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.802 -9.966 -5.813 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.838 -8.082 -5.165 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.430 -9.395 -6.912 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.062 -8.218 -6.569 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.383 -6.934 -4.543 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.802 -7.275 -7.319 1.00 0.00 C ATOM 140 CZ3 TRP A 9 6.107 -5.965 -5.280 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.326 -6.138 -6.668 1.00 0.00 C ATOM 142 H TRP A 9 4.445 -11.821 -2.659 1.00 0.00 H ATOM 143 HA TRP A 9 5.303 -9.011 -2.306 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.774 -10.327 -3.389 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.895 -8.605 -3.101 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.169 -10.841 -5.846 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.424 -9.780 -7.845 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.197 -6.773 -3.491 1.00 0.00 H ATOM 149 HZ2 TRP A 9 5.971 -7.423 -8.376 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.498 -5.086 -4.791 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.901 -5.406 -7.215 1.00 0.00 H ATOM 152 N ALA A 10 3.804 -8.256 -0.384 1.00 0.00 N ATOM 153 CA ALA A 10 3.041 -7.850 0.807 1.00 0.00 C ATOM 154 C ALA A 10 2.509 -6.400 0.653 1.00 0.00 C ATOM 155 O ALA A 10 3.237 -5.512 0.189 1.00 0.00 O ATOM 156 CB ALA A 10 3.938 -7.946 2.050 1.00 0.00 C ATOM 157 H ALA A 10 4.302 -7.543 -0.898 1.00 0.00 H ATOM 158 HA ALA A 10 2.192 -8.522 0.941 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.247 -8.981 2.196 1.00 0.00 H ATOM 160 HB2 ALA A 10 4.822 -7.318 1.930 1.00 0.00 H ATOM 161 HB3 ALA A 10 3.386 -7.606 2.926 1.00 0.00 H ATOM 162 N TRP A 11 1.233 -6.191 0.989 1.00 0.00 N ATOM 163 CA TRP A 11 0.562 -4.914 0.741 1.00 0.00 C ATOM 164 C TRP A 11 0.540 -4.055 2.009 1.00 0.00 C ATOM 165 O TRP A 11 0.201 -4.538 3.083 1.00 0.00 O ATOM 166 CB TRP A 11 -0.882 -5.164 0.256 1.00 0.00 C ATOM 167 CG TRP A 11 -1.707 -3.963 -0.095 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.797 -3.523 0.588 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.586 -3.078 -1.249 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.370 -2.459 -0.067 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.680 -2.150 -1.219 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.708 -2.985 -2.348 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.867 -1.187 -2.218 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.896 -2.032 -3.369 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.979 -1.138 -3.318 1.00 0.00 C ATOM 176 H TRP A 11 0.689 -6.939 1.395 1.00 0.00 H ATOM 177 HA TRP A 11 1.105 -4.376 -0.037 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.803 -5.806 -0.623 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.446 -5.748 0.984 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.159 -3.964 1.506 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.208 -1.999 0.259 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.082 -3.717 -2.438 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.700 -0.502 -2.163 1.00 0.00 H ATOM 184 HZ3 TRP A 11 -0.233 -2.005 -4.221 1.00 0.00 H ATOM 185 HH2 TRP A 11 -2.147 -0.430 -4.116 1.00 0.00 H ATOM 186 N LYS A 12 0.938 -2.779 1.867 1.00 0.00 N ATOM 187 CA LYS A 12 1.136 -1.881 3.018 1.00 0.00 C ATOM 188 C LYS A 12 0.385 -0.566 2.815 1.00 0.00 C ATOM 189 O LYS A 12 0.170 -0.133 1.678 1.00 0.00 O ATOM 190 CB LYS A 12 2.636 -1.590 3.206 1.00 0.00 C ATOM 191 CG LYS A 12 3.490 -2.840 3.495 1.00 0.00 C ATOM 192 CD LYS A 12 3.187 -3.499 4.845 1.00 0.00 C ATOM 193 CE LYS A 12 4.161 -4.642 5.141 1.00 0.00 C ATOM 194 NZ LYS A 12 3.896 -5.273 6.462 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.185 -2.434 0.951 1.00 0.00 H ATOM 196 HA LYS A 12 0.763 -2.368 3.919 1.00 0.00 H ATOM 197 HB2 LYS A 12 3.018 -1.103 2.309 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.768 -0.882 4.024 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.377 -3.578 2.699 1.00 0.00 H ATOM 200 HG3 LYS A 12 4.537 -2.537 3.484 1.00 0.00 H ATOM 201 HD2 LYS A 12 3.258 -2.746 5.629 1.00 0.00 H ATOM 202 HD3 LYS A 12 2.167 -3.884 4.829 1.00 0.00 H ATOM 203 HE2 LYS A 12 4.081 -5.386 4.348 1.00 0.00 H ATOM 204 HE3 LYS A 12 5.181 -4.259 5.131 1.00 0.00 H ATOM 205 HZ1 LYS A 12 4.505 -6.058 6.636 1.00 0.00 H ATOM 206 HZ2 LYS A 12 4.032 -4.619 7.220 1.00 0.00 H ATOM 207 HZ3 LYS A 12 2.948 -5.617 6.512 1.00 0.00 H HETATM 208 N NH2 A 13 0.037 0.119 3.894 1.00 0.00 N HETATM 209 HN1 NH2 A 13 0.248 -0.239 4.815 1.00 0.00 H HETATM 210 HN2 NH2 A 13 -0.478 0.979 3.769 1.00 0.00 H TER 211 NH2 A 13 ENDMDL MODEL 20 ATOM 1 N ALA A 1 0.528 0.216 -0.596 1.00 0.00 N ATOM 2 CA ALA A 1 1.660 0.033 -1.533 1.00 0.00 C ATOM 3 C ALA A 1 2.176 -1.411 -1.468 1.00 0.00 C ATOM 4 O ALA A 1 2.107 -2.065 -0.428 1.00 0.00 O ATOM 5 CB ALA A 1 2.793 1.013 -1.189 1.00 0.00 C ATOM 6 H1 ALA A 1 -0.283 -0.371 -0.722 1.00 0.00 H ATOM 7 H2 ALA A 1 0.861 0.054 0.344 1.00 0.00 H ATOM 8 H3 ALA A 1 0.200 1.170 -0.646 1.00 0.00 H ATOM 9 HA ALA A 1 1.312 0.238 -2.545 1.00 0.00 H ATOM 10 HB1 ALA A 1 3.114 0.871 -0.157 1.00 0.00 H ATOM 11 HB2 ALA A 1 3.642 0.864 -1.855 1.00 0.00 H ATOM 12 HB3 ALA A 1 2.449 2.041 -1.299 1.00 0.00 H ATOM 13 N TRP A 2 2.695 -1.893 -2.593 1.00 0.00 N ATOM 14 CA TRP A 2 3.290 -3.242 -2.674 1.00 0.00 C ATOM 15 C TRP A 2 4.770 -3.212 -2.269 1.00 0.00 C ATOM 16 O TRP A 2 5.492 -2.258 -2.581 1.00 0.00 O ATOM 17 CB TRP A 2 3.167 -3.773 -4.110 1.00 0.00 C ATOM 18 CG TRP A 2 1.850 -4.407 -4.465 1.00 0.00 C ATOM 19 CD1 TRP A 2 1.005 -4.025 -5.467 1.00 0.00 C ATOM 20 CD2 TRP A 2 1.206 -5.542 -3.810 1.00 0.00 C ATOM 21 NE1 TRP A 2 -0.103 -4.863 -5.470 1.00 0.00 N ATOM 22 CE2 TRP A 2 -0.042 -5.817 -4.480 1.00 0.00 C ATOM 23 CE3 TRP A 2 1.539 -6.365 -2.723 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -0.894 -6.861 -4.075 1.00 0.00 C ATOM 25 CZ3 TRP A 2 0.699 -7.418 -2.312 1.00 0.00 C ATOM 26 CH2 TRP A 2 -0.496 -7.672 -2.987 1.00 0.00 C ATOM 27 H TRP A 2 2.712 -1.319 -3.423 1.00 0.00 H ATOM 28 HA TRP A 2 2.750 -3.908 -2.000 1.00 0.00 H ATOM 29 HB2 TRP A 2 3.384 -2.977 -4.824 1.00 0.00 H ATOM 30 HB3 TRP A 2 3.917 -4.551 -4.249 1.00 0.00 H ATOM 31 HD1 TRP A 2 1.167 -3.167 -6.104 1.00 0.00 H ATOM 32 HE1 TRP A 2 -0.874 -4.703 -6.103 1.00 0.00 H ATOM 33 HE3 TRP A 2 2.486 -6.174 -2.240 1.00 0.00 H ATOM 34 HZ2 TRP A 2 -1.836 -7.018 -4.581 1.00 0.00 H ATOM 35 HZ3 TRP A 2 1.001 -8.052 -1.492 1.00 0.00 H ATOM 36 HH2 TRP A 2 -1.107 -8.499 -2.654 1.00 0.00 H ATOM 37 N ALA A 3 5.240 -4.308 -1.642 1.00 0.00 N ATOM 38 CA ALA A 3 6.671 -4.542 -1.432 1.00 0.00 C ATOM 39 C ALA A 3 7.025 -6.013 -1.714 1.00 0.00 C ATOM 40 O ALA A 3 6.285 -6.926 -1.335 1.00 0.00 O ATOM 41 CB ALA A 3 7.042 -4.176 0.017 1.00 0.00 C ATOM 42 H ALA A 3 4.591 -5.017 -1.327 1.00 0.00 H ATOM 43 HA ALA A 3 7.236 -3.909 -2.116 1.00 0.00 H ATOM 44 HB1 ALA A 3 8.122 -4.232 0.148 1.00 0.00 H ATOM 45 HB2 ALA A 3 6.703 -3.165 0.238 1.00 0.00 H ATOM 46 HB3 ALA A 3 6.558 -4.870 0.706 1.00 0.00 H ATOM 47 N TRP A 4 8.148 -6.227 -2.407 1.00 0.00 N ATOM 48 CA TRP A 4 8.621 -7.587 -2.736 1.00 0.00 C ATOM 49 C TRP A 4 9.796 -7.977 -1.821 1.00 0.00 C ATOM 50 O TRP A 4 10.880 -7.410 -1.926 1.00 0.00 O ATOM 51 CB TRP A 4 9.060 -7.640 -4.207 1.00 0.00 C ATOM 52 CG TRP A 4 9.482 -8.979 -4.741 1.00 0.00 C ATOM 53 CD1 TRP A 4 10.723 -9.287 -5.192 1.00 0.00 C ATOM 54 CD2 TRP A 4 8.678 -10.173 -4.929 1.00 0.00 C ATOM 55 NE1 TRP A 4 10.728 -10.580 -5.682 1.00 0.00 N ATOM 56 CE2 TRP A 4 9.485 -11.163 -5.557 1.00 0.00 C ATOM 57 CE3 TRP A 4 7.331 -10.506 -4.684 1.00 0.00 C ATOM 58 CZ2 TRP A 4 8.988 -12.419 -5.923 1.00 0.00 C ATOM 59 CZ3 TRP A 4 6.826 -11.774 -5.041 1.00 0.00 C ATOM 60 CH2 TRP A 4 7.641 -12.720 -5.666 1.00 0.00 C ATOM 61 H TRP A 4 8.728 -5.443 -2.669 1.00 0.00 H ATOM 62 HA TRP A 4 7.805 -8.292 -2.580 1.00 0.00 H ATOM 63 HB2 TRP A 4 8.210 -7.336 -4.818 1.00 0.00 H ATOM 64 HB3 TRP A 4 9.867 -6.923 -4.357 1.00 0.00 H ATOM 65 HD1 TRP A 4 11.573 -8.620 -5.213 1.00 0.00 H ATOM 66 HE1 TRP A 4 11.549 -11.032 -6.059 1.00 0.00 H ATOM 67 HE3 TRP A 4 6.680 -9.753 -4.264 1.00 0.00 H ATOM 68 HZ2 TRP A 4 9.639 -13.145 -6.389 1.00 0.00 H ATOM 69 HZ3 TRP A 4 5.787 -12.013 -4.871 1.00 0.00 H ATOM 70 HH2 TRP A 4 7.231 -13.679 -5.951 1.00 0.00 H ATOM 71 N GLU A 5 9.554 -8.929 -0.915 1.00 0.00 N ATOM 72 CA GLU A 5 10.526 -9.298 0.120 1.00 0.00 C ATOM 73 C GLU A 5 10.501 -10.812 0.363 1.00 0.00 C ATOM 74 O GLU A 5 9.439 -11.427 0.405 1.00 0.00 O ATOM 75 CB GLU A 5 10.207 -8.561 1.435 1.00 0.00 C ATOM 76 CG GLU A 5 10.444 -7.052 1.358 1.00 0.00 C ATOM 77 CD GLU A 5 10.194 -6.397 2.728 1.00 0.00 C ATOM 78 OE1 GLU A 5 11.123 -6.344 3.577 1.00 0.00 O ATOM 79 OE2 GLU A 5 9.058 -5.910 2.951 1.00 0.00 O1- ATOM 80 H GLU A 5 8.660 -9.399 -0.919 1.00 0.00 H ATOM 81 HA GLU A 5 11.524 -9.016 -0.213 1.00 0.00 H ATOM 82 HB2 GLU A 5 9.174 -8.755 1.724 1.00 0.00 H ATOM 83 HB3 GLU A 5 10.855 -8.944 2.224 1.00 0.00 H ATOM 84 HG2 GLU A 5 11.471 -6.858 1.051 1.00 0.00 H ATOM 85 HG3 GLU A 5 9.780 -6.616 0.612 1.00 0.00 H HETATM 86 N AIB A 6 11.686 -11.429 0.493 1.00 0.00 N HETATM 87 CA AIB A 6 11.869 -12.890 0.593 1.00 0.00 C HETATM 88 C AIB A 6 11.114 -13.693 -0.515 1.00 0.00 C HETATM 89 O AIB A 6 10.697 -14.834 -0.293 1.00 0.00 O HETATM 90 CB1 AIB A 6 13.381 -13.130 0.439 1.00 0.00 C HETATM 91 CB2 AIB A 6 11.503 -13.336 2.021 1.00 0.00 C HETATM 92 H AIB A 6 12.527 -10.869 0.472 1.00 0.00 H HETATM 93 HB11 AIB A 6 13.715 -12.788 -0.539 1.00 0.00 H HETATM 94 HB12 AIB A 6 13.935 -12.605 1.219 1.00 0.00 H HETATM 95 HB13 AIB A 6 13.594 -14.195 0.539 1.00 0.00 H HETATM 96 HB21 AIB A 6 10.429 -13.233 2.174 1.00 0.00 H HETATM 97 HB22 AIB A 6 11.774 -14.380 2.178 1.00 0.00 H HETATM 98 HB23 AIB A 6 12.026 -12.722 2.754 1.00 0.00 H ATOM 99 N GLY A 7 10.969 -13.086 -1.697 1.00 0.00 N ATOM 100 CA GLY A 7 10.296 -13.746 -2.825 1.00 0.00 C ATOM 101 C GLY A 7 8.761 -13.797 -2.647 1.00 0.00 C ATOM 102 O GLY A 7 8.099 -14.692 -3.182 1.00 0.00 O ATOM 103 H GLY A 7 11.376 -12.173 -1.840 1.00 0.00 H ATOM 104 HA2 GLY A 7 10.530 -13.193 -3.734 1.00 0.00 H ATOM 105 HA3 GLY A 7 10.673 -14.764 -2.922 1.00 0.00 H ATOM 106 N LYS A 8 8.205 -12.832 -1.885 1.00 0.00 N ATOM 107 CA LYS A 8 6.747 -12.746 -1.651 1.00 0.00 C ATOM 108 C LYS A 8 6.267 -11.287 -1.727 1.00 0.00 C ATOM 109 O LYS A 8 6.982 -10.362 -1.311 1.00 0.00 O ATOM 110 CB LYS A 8 6.396 -13.329 -0.266 1.00 0.00 C ATOM 111 CG LYS A 8 6.648 -14.835 -0.157 1.00 0.00 C ATOM 112 CD LYS A 8 6.266 -15.378 1.220 1.00 0.00 C ATOM 113 CE LYS A 8 6.505 -16.894 1.281 1.00 0.00 C ATOM 114 NZ LYS A 8 6.123 -17.463 2.609 1.00 0.00 N1+ ATOM 115 H LYS A 8 8.803 -12.155 -1.434 1.00 0.00 H ATOM 116 HA LYS A 8 6.231 -13.320 -2.421 1.00 0.00 H ATOM 117 HB2 LYS A 8 7.011 -12.839 0.489 1.00 0.00 H ATOM 118 HB3 LYS A 8 5.343 -13.128 -0.066 1.00 0.00 H ATOM 119 HG2 LYS A 8 6.061 -15.356 -0.913 1.00 0.00 H ATOM 120 HG3 LYS A 8 7.705 -15.047 -0.321 1.00 0.00 H ATOM 121 HD2 LYS A 8 6.863 -14.881 1.985 1.00 0.00 H ATOM 122 HD3 LYS A 8 5.216 -15.160 1.416 1.00 0.00 H ATOM 123 HE2 LYS A 8 5.946 -17.379 0.481 1.00 0.00 H ATOM 124 HE3 LYS A 8 7.564 -17.081 1.103 1.00 0.00 H ATOM 125 HZ1 LYS A 8 6.668 -17.025 3.337 1.00 0.00 H ATOM 126 HZ2 LYS A 8 5.148 -17.305 2.821 1.00 0.00 H ATOM 127 HZ3 LYS A 8 6.284 -18.460 2.634 1.00 0.00 H ATOM 128 N TRP A 9 5.044 -11.090 -2.240 1.00 0.00 N ATOM 129 CA TRP A 9 4.414 -9.762 -2.254 1.00 0.00 C ATOM 130 C TRP A 9 3.684 -9.496 -0.929 1.00 0.00 C ATOM 131 O TRP A 9 3.115 -10.411 -0.325 1.00 0.00 O ATOM 132 CB TRP A 9 3.411 -9.657 -3.421 1.00 0.00 C ATOM 133 CG TRP A 9 3.948 -9.378 -4.790 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.757 -10.119 -5.911 1.00 0.00 C ATOM 135 CD2 TRP A 9 4.737 -8.222 -5.230 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.375 -9.526 -6.994 1.00 0.00 N ATOM 137 CE2 TRP A 9 5.016 -8.353 -6.625 1.00 0.00 C ATOM 138 CE3 TRP A 9 5.234 -7.061 -4.592 1.00 0.00 C ATOM 139 CZ2 TRP A 9 5.749 -7.390 -7.344 1.00 0.00 C ATOM 140 CZ3 TRP A 9 5.982 -6.092 -5.296 1.00 0.00 C ATOM 141 CH2 TRP A 9 6.236 -6.254 -6.678 1.00 0.00 C ATOM 142 H TRP A 9 4.490 -11.882 -2.536 1.00 0.00 H ATOM 143 HA TRP A 9 5.189 -9.007 -2.384 1.00 0.00 H ATOM 144 HB2 TRP A 9 2.791 -10.553 -3.453 1.00 0.00 H ATOM 145 HB3 TRP A 9 2.737 -8.824 -3.216 1.00 0.00 H ATOM 146 HD1 TRP A 9 3.153 -11.011 -5.970 1.00 0.00 H ATOM 147 HE1 TRP A 9 4.386 -9.907 -7.930 1.00 0.00 H ATOM 148 HE3 TRP A 9 5.048 -6.892 -3.542 1.00 0.00 H ATOM 149 HZ2 TRP A 9 5.919 -7.500 -8.405 1.00 0.00 H ATOM 150 HZ3 TRP A 9 6.346 -5.210 -4.791 1.00 0.00 H ATOM 151 HH2 TRP A 9 6.778 -5.483 -7.205 1.00 0.00 H ATOM 152 N ALA A 10 3.679 -8.227 -0.506 1.00 0.00 N ATOM 153 CA ALA A 10 2.982 -7.805 0.717 1.00 0.00 C ATOM 154 C ALA A 10 2.432 -6.374 0.563 1.00 0.00 C ATOM 155 O ALA A 10 3.134 -5.478 0.071 1.00 0.00 O ATOM 156 CB ALA A 10 3.956 -7.871 1.914 1.00 0.00 C ATOM 157 H ALA A 10 4.183 -7.528 -1.031 1.00 0.00 H ATOM 158 HA ALA A 10 2.152 -8.486 0.905 1.00 0.00 H ATOM 159 HB1 ALA A 10 4.830 -7.249 1.719 1.00 0.00 H ATOM 160 HB2 ALA A 10 3.463 -7.530 2.824 1.00 0.00 H ATOM 161 HB3 ALA A 10 4.276 -8.902 2.062 1.00 0.00 H ATOM 162 N TRP A 11 1.162 -6.179 0.947 1.00 0.00 N ATOM 163 CA TRP A 11 0.469 -4.885 0.760 1.00 0.00 C ATOM 164 C TRP A 11 0.356 -4.140 2.091 1.00 0.00 C ATOM 165 O TRP A 11 -0.256 -4.638 3.042 1.00 0.00 O ATOM 166 CB TRP A 11 -0.945 -5.124 0.168 1.00 0.00 C ATOM 167 CG TRP A 11 -1.739 -3.903 -0.185 1.00 0.00 C ATOM 168 CD1 TRP A 11 -2.851 -3.467 0.457 1.00 0.00 C ATOM 169 CD2 TRP A 11 -1.538 -2.973 -1.274 1.00 0.00 C ATOM 170 NE1 TRP A 11 -3.354 -2.347 -0.191 1.00 0.00 N ATOM 171 CE2 TRP A 11 -2.565 -2.008 -1.273 1.00 0.00 C ATOM 172 CE3 TRP A 11 -0.577 -2.872 -2.326 1.00 0.00 C ATOM 173 CZ2 TRP A 11 -2.667 -0.986 -2.243 1.00 0.00 C ATOM 174 CZ3 TRP A 11 -0.657 -1.873 -3.298 1.00 0.00 C ATOM 175 CH2 TRP A 11 -1.710 -0.929 -3.276 1.00 0.00 C ATOM 176 H TRP A 11 0.640 -6.946 1.345 1.00 0.00 H ATOM 177 HA TRP A 11 1.041 -4.273 0.063 1.00 0.00 H ATOM 178 HB2 TRP A 11 -0.826 -5.723 -0.733 1.00 0.00 H ATOM 179 HB3 TRP A 11 -1.526 -5.743 0.852 1.00 0.00 H ATOM 180 HD1 TRP A 11 -3.319 -3.959 1.296 1.00 0.00 H ATOM 181 HE1 TRP A 11 -4.200 -1.864 0.078 1.00 0.00 H ATOM 182 HE3 TRP A 11 0.208 -3.612 -2.359 1.00 0.00 H ATOM 183 HZ2 TRP A 11 -3.486 -0.283 -2.212 1.00 0.00 H ATOM 184 HZ3 TRP A 11 0.045 -1.854 -4.119 1.00 0.00 H ATOM 185 HH2 TRP A 11 -1.791 -0.167 -4.038 1.00 0.00 H ATOM 186 N LYS A 12 0.998 -2.966 2.172 1.00 0.00 N ATOM 187 CA LYS A 12 1.170 -2.247 3.457 1.00 0.00 C ATOM 188 C LYS A 12 1.422 -0.750 3.216 1.00 0.00 C ATOM 189 O LYS A 12 1.610 -0.311 2.073 1.00 0.00 O ATOM 190 CB LYS A 12 2.354 -2.868 4.253 1.00 0.00 C ATOM 191 CG LYS A 12 3.646 -3.062 3.447 1.00 0.00 C ATOM 192 CD LYS A 12 4.736 -3.680 4.330 1.00 0.00 C ATOM 193 CE LYS A 12 5.968 -4.046 3.486 1.00 0.00 C ATOM 194 NZ LYS A 12 7.044 -4.643 4.321 1.00 0.00 N1+ ATOM 195 H LYS A 12 1.479 -2.610 1.357 1.00 0.00 H ATOM 196 HA LYS A 12 0.259 -2.351 4.046 1.00 0.00 H ATOM 197 HB2 LYS A 12 2.559 -2.246 5.125 1.00 0.00 H ATOM 198 HB3 LYS A 12 2.055 -3.846 4.630 1.00 0.00 H ATOM 199 HG2 LYS A 12 3.453 -3.744 2.619 1.00 0.00 H ATOM 200 HG3 LYS A 12 3.990 -2.106 3.053 1.00 0.00 H ATOM 201 HD2 LYS A 12 5.001 -2.963 5.108 1.00 0.00 H ATOM 202 HD3 LYS A 12 4.340 -4.574 4.810 1.00 0.00 H ATOM 203 HE2 LYS A 12 5.679 -4.748 2.705 1.00 0.00 H ATOM 204 HE3 LYS A 12 6.336 -3.144 2.996 1.00 0.00 H ATOM 205 HZ1 LYS A 12 6.707 -5.440 4.844 1.00 0.00 H ATOM 206 HZ2 LYS A 12 7.813 -4.985 3.763 1.00 0.00 H ATOM 207 HZ3 LYS A 12 7.423 -3.981 4.983 1.00 0.00 H HETATM 208 N NH2 A 13 1.357 0.065 4.264 1.00 0.00 N HETATM 209 HN1 NH2 A 13 1.163 -0.303 5.185 1.00 0.00 H HETATM 210 HN2 NH2 A 13 1.469 1.059 4.128 1.00 0.00 H TER 211 NH2 A 13 ENDMDL CONECT 73 86 CONECT 86 73 87 92 CONECT 87 86 88 90 91 CONECT 88 87 89 99 CONECT 89 88 CONECT 90 87 93 94 95 CONECT 91 87 96 97 98 CONECT 92 86 CONECT 93 90 CONECT 94 90 CONECT 95 90 CONECT 96 91 CONECT 97 91 CONECT 98 91 CONECT 99 88 CONECT 188 208 CONECT 208 188 209 210 CONECT 209 208 CONECT 210 208 MASTER 89 0 2 0 2 0 0 6 109 1 19 1 END