HEADER ---- XX-XXX-XX xxxx COMPND --- REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0032 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU, REMARK 3 STEINER,NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.45 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.37 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 86.39 REMARK 3 NUMBER OF REFLECTIONS : 16919 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.35353 REMARK 3 R VALUE (WORKING SET) : 0.35207 REMARK 3 FREE R VALUE : 0.38325 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.7 REMARK 3 FREE R VALUE TEST SET COUNT : 828 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH : 1.455 REMARK 3 BIN RESOLUTION RANGE LOW : 1.492 REMARK 3 REFLECTION IN BIN (WORKING SET) : 145 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 10.35 REMARK 3 BIN R VALUE (WORKING SET) : 0.791 REMARK 3 BIN FREE R VALUE SET COUNT : 10 REMARK 3 BIN FREE R VALUE : 0.684 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 ALL ATOMS : 1019 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 4.386 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.18 REMARK 3 B22 (A**2) : 0.18 REMARK 3 B33 (A**2) : -0.37 REMARK 3 B12 (A**2) : 0.00 REMARK 3 B13 (A**2) : 0.00 REMARK 3 B23 (A**2) : -0.00 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.154 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.146 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.148 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.432 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.830 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.812 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 966 ; 0.012 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 902 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1302 ; 1.743 ; 1.923 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2083 ; 1.030 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 119 ; 6.059 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 43 ;40.265 ;25.116 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 173 ;18.860 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 3 ;25.969 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 141 ; 0.095 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1092 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 225 ; 0.002 ; 0.020 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 482 ; 0.183 ; 0.391 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 481 ; 0.183 ; 0.390 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 599 ; 0.323 ; 0.585 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 600 ; 0.323 ; 0.586 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 484 ; 0.283 ; 0.400 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 485 ; 0.282 ; 0.401 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 704 ; 0.385 ; 0.590 REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 1344 ; 2.944 ; 3.564 REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 1329 ; 2.898 ; 3.431 REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 TWIN DETAILS REMARK 3 NUMBER OF TWIN DOMAINS : NULL REMARK 3 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 2 A 123 REMARK 3 ORIGIN FOR THE GROUP (A): -1.5530 20.0470 18.6940 REMARK 3 T TENSOR REMARK 3 T11: 0.0586 T22: 0.0780 REMARK 3 T33: 0.1143 T12: -0.0037 REMARK 3 T13: 0.0024 T23: -0.0086 REMARK 3 L TENSOR REMARK 3 L11: 1.4923 L22: 1.6942 REMARK 3 L33: 1.1389 L12: -0.6674 REMARK 3 L13: 0.0981 L23: -0.0676 REMARK 3 S TENSOR REMARK 3 S11: -0.0334 S12: 0.0565 S13: -0.0489 REMARK 3 S21: -0.0010 S22: 0.0235 S23: 0.0816 REMARK 3 S31: 0.0617 S32: -0.0421 S33: 0.0099 REMARK 3 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.00 REMARK 3 ION PROBE RADIUS : 0.90 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS REMARK 3 U VALUES : RESIDUAL ONLY REMARK 3 LINKR THR A 69 GLY A 71 gap CRYST1 77.466 77.466 37.373 90.00 90.00 90.00 P 43 21 2 SCALE1 0.012909 0.000000 0.000000 0.00000 SCALE2 -0.000000 0.012909 0.000000 0.00000 SCALE3 0.000000 -0.000000 0.026757 0.00000 ATOM 1 N ILE A 2 1.521 11.634 7.623 1.00 2.33 AAAA N ATOM 2 CA ILE A 2 1.329 13.068 7.228 1.00 2.30 AAAA C ATOM 3 CB ILE A 2 2.242 13.505 6.052 1.00 2.29 AAAA C ATOM 4 CG1 ILE A 2 3.669 12.999 6.227 1.00 2.31 AAAA C ATOM 5 CD1 ILE A 2 4.355 13.487 7.458 1.00 2.34 AAAA C ATOM 6 CG2 ILE A 2 2.278 15.027 5.937 1.00 2.32 AAAA C ATOM 7 C ILE A 2 -0.129 13.311 6.835 1.00 2.25 AAAA C ATOM 8 O ILE A 2 -0.599 12.790 5.829 1.00 2.28 AAAA O ATOM 9 N LEU A 3 -0.828 14.082 7.652 1.00 2.17 AAAA N ATOM 10 CA LEU A 3 -2.224 14.384 7.405 1.00 2.14 AAAA C ATOM 11 CB LEU A 3 -2.989 14.730 8.700 1.00 2.13 AAAA C ATOM 12 CG LEU A 3 -3.616 13.522 9.425 1.00 2.12 AAAA C ATOM 13 CD1 LEU A 3 -2.914 13.206 10.728 1.00 2.11 AAAA C ATOM 14 CD2 LEU A 3 -5.113 13.620 9.658 1.00 2.11 AAAA C ATOM 15 C LEU A 3 -2.309 15.538 6.431 1.00 2.16 AAAA C ATOM 16 O LEU A 3 -1.479 16.460 6.447 1.00 2.22 AAAA O ATOM 17 N LYS A 4 -3.321 15.494 5.575 1.00 2.16 AAAA N ATOM 18 CA LYS A 4 -3.642 16.676 4.821 1.00 2.18 AAAA C ATOM 19 CB LYS A 4 -4.479 16.333 3.621 1.00 2.24 AAAA C ATOM 20 CG LYS A 4 -3.799 15.450 2.586 1.00 2.28 AAAA C ATOM 21 CD LYS A 4 -4.639 15.372 1.311 1.00 2.29 AAAA C ATOM 22 CE LYS A 4 -5.788 14.367 1.388 1.00 2.32 AAAA C ATOM 23 NZ LYS A 4 -6.728 14.467 0.242 1.00 2.34 AAAA N ATOM 24 C LYS A 4 -4.351 17.705 5.706 1.00 2.14 AAAA C ATOM 25 O LYS A 4 -4.830 17.410 6.808 1.00 2.13 AAAA O ATOM 26 N LYS A 5 -4.387 18.932 5.222 1.00 2.11 AAAA N ATOM 27 CA LYS A 5 -4.966 20.039 5.954 1.00 2.10 AAAA C ATOM 28 CB LYS A 5 -4.895 21.290 5.075 1.00 2.08 AAAA C ATOM 29 CG LYS A 5 -5.540 22.528 5.650 1.00 2.07 AAAA C ATOM 30 CD LYS A 5 -5.095 23.762 4.893 1.00 2.07 AAAA C ATOM 31 CE LYS A 5 -5.772 23.894 3.551 1.00 2.06 AAAA C ATOM 32 NZ LYS A 5 -7.246 24.126 3.667 1.00 2.05 AAAA N ATOM 33 C LYS A 5 -6.411 19.764 6.340 1.00 2.12 AAAA C ATOM 34 O LYS A 5 -6.756 19.821 7.525 1.00 2.13 AAAA O ATOM 35 N GLN A 6 -7.251 19.502 5.336 1.00 2.17 AAAA N ATOM 36 CA GLN A 6 -8.687 19.259 5.567 1.00 2.21 AAAA C ATOM 37 CB GLN A 6 -9.503 19.371 4.262 1.00 2.20 AAAA C ATOM 38 CG GLN A 6 -9.656 20.785 3.705 1.00 2.17 AAAA C ATOM 39 CD GLN A 6 -10.481 21.687 4.594 1.00 2.20 AAAA C ATOM 40 OE1 GLN A 6 -9.985 22.643 5.116 1.00 2.30 AAAA O ATOM 41 NE2 GLN A 6 -11.786 21.409 4.697 1.00 2.28 AAAA N ATOM 42 C GLN A 6 -8.925 17.900 6.220 1.00 2.30 AAAA C ATOM 43 O GLN A 6 -9.878 17.712 6.957 1.00 2.29 AAAA O ATOM 44 N GLU A 7 -8.060 16.940 5.938 1.00 2.42 AAAA N ATOM 45 CA GLU A 7 -8.115 15.655 6.624 1.00 2.54 AAAA C ATOM 46 CB GLU A 7 -7.044 14.722 6.068 1.00 2.51 AAAA C ATOM 47 CG GLU A 7 -7.169 13.298 6.579 1.00 2.48 AAAA C ATOM 48 CD GLU A 7 -6.012 12.433 6.175 1.00 2.47 AAAA C ATOM 49 OE1 GLU A 7 -4.948 12.948 5.780 1.00 2.47 AAAA O ATOM 50 OE2 GLU A 7 -6.170 11.213 6.260 1.00 2.60 AAAA O ATOM 51 C GLU A 7 -7.930 15.797 8.134 1.00 2.72 AAAA C ATOM 52 O GLU A 7 -8.679 15.211 8.923 1.00 2.75 AAAA O ATOM 53 N LEU A 8 -6.926 16.560 8.542 1.00 2.95 AAAA N ATOM 54 CA LEU A 8 -6.711 16.794 9.958 1.00 3.18 AAAA C ATOM 55 CB LEU A 8 -5.380 17.526 10.169 1.00 3.08 AAAA C ATOM 56 CG LEU A 8 -4.915 17.725 11.607 1.00 3.02 AAAA C ATOM 57 CD1 LEU A 8 -4.756 16.420 12.360 1.00 3.02 AAAA C ATOM 58 CD2 LEU A 8 -3.618 18.529 11.606 1.00 3.00 AAAA C ATOM 59 C LEU A 8 -7.890 17.584 10.565 1.00 3.55 AAAA C ATOM 60 O LEU A 8 -8.375 17.259 11.651 1.00 3.63 AAAA O ATOM 61 N CYS A 9 -8.354 18.624 9.880 1.00 4.10 AAAA N ATOM 62 CA CYS A 9 -9.477 19.417 10.387 1.00 4.60 AAAA C ATOM 63 CB CYS A 9 -9.942 20.435 9.339 1.00 5.29 AAAA C ATOM 64 SG CYS A 9 -10.969 19.716 8.031 1.00 7.30 AAAA S ATOM 65 C CYS A 9 -10.645 18.507 10.791 1.00 4.26 AAAA C ATOM 66 O CYS A 9 -11.240 18.690 11.846 1.00 4.04 AAAA O ATOM 67 N LYS A 10 -10.954 17.513 9.954 1.00 4.07 AAAA N ATOM 68 CA LYS A 10 -12.128 16.658 10.171 1.00 3.92 AAAA C ATOM 69 CB LYS A 10 -12.463 15.857 8.913 1.00 3.99 AAAA C ATOM 70 CG LYS A 10 -12.868 16.710 7.717 1.00 4.10 AAAA C ATOM 71 CD LYS A 10 -14.347 16.621 7.361 1.00 4.16 AAAA C ATOM 72 CE LYS A 10 -14.627 17.389 6.067 1.00 4.19 AAAA C ATOM 73 NZ LYS A 10 -16.022 17.854 5.831 1.00 4.22 AAAA N ATOM 74 C LYS A 10 -11.868 15.704 11.323 1.00 3.78 AAAA C ATOM 75 O LYS A 10 -12.775 15.345 12.084 1.00 3.75 AAAA O ATOM 76 N ASN A 11 -10.621 15.273 11.427 1.00 3.70 AAAA N ATOM 77 CA ASN A 11 -10.204 14.395 12.500 1.00 3.67 AAAA C ATOM 78 CB ASN A 11 -8.790 13.879 12.251 1.00 3.83 AAAA C ATOM 79 CG ASN A 11 -8.757 12.743 11.230 1.00 4.01 AAAA C ATOM 80 OD1 ASN A 11 -9.524 12.727 10.253 1.00 4.17 AAAA O ATOM 81 ND2 ASN A 11 -7.884 11.763 11.464 1.00 4.09 AAAA N ATOM 82 C ASN A 11 -10.321 15.117 13.826 1.00 3.55 AAAA C ATOM 83 O ASN A 11 -10.975 14.611 14.731 1.00 3.48 AAAA O ATOM 84 N LEU A 12 -9.742 16.322 13.896 1.00 3.41 AAAA N ATOM 85 CA LEU A 12 -9.849 17.199 15.075 1.00 3.30 AAAA C ATOM 86 CB LEU A 12 -9.048 18.503 14.884 1.00 3.21 AAAA C ATOM 87 CG LEU A 12 -7.525 18.439 14.694 1.00 3.06 AAAA C ATOM 88 CD1 LEU A 12 -6.894 19.815 14.517 1.00 2.80 AAAA C ATOM 89 CD2 LEU A 12 -6.814 17.777 15.852 1.00 3.16 AAAA C ATOM 90 C LEU A 12 -11.298 17.531 15.435 1.00 3.39 AAAA C ATOM 91 O LEU A 12 -11.651 17.467 16.593 1.00 3.36 AAAA O ATOM 92 N VAL A 13 -12.117 17.899 14.453 1.00 3.55 AAAA N ATOM 93 CA VAL A 13 -13.551 18.184 14.690 1.00 3.72 AAAA C ATOM 94 CB VAL A 13 -14.303 18.669 13.408 1.00 3.68 AAAA C ATOM 95 CG1 VAL A 13 -14.548 17.550 12.421 1.00 3.72 AAAA C ATOM 96 CG2 VAL A 13 -15.656 19.258 13.756 1.00 3.69 AAAA C ATOM 97 C VAL A 13 -14.255 16.963 15.279 1.00 3.89 AAAA C ATOM 98 O VAL A 13 -15.023 17.079 16.238 1.00 3.89 AAAA O ATOM 99 N ALA A 14 -13.972 15.790 14.717 1.00 4.10 AAAA N ATOM 100 CA ALA A 14 -14.666 14.576 15.118 1.00 4.30 AAAA C ATOM 101 CB ALA A 14 -14.294 13.414 14.200 1.00 4.30 AAAA C ATOM 102 C ALA A 14 -14.351 14.249 16.565 1.00 4.52 AAAA C ATOM 103 O ALA A 14 -15.204 13.684 17.263 1.00 4.63 AAAA O ATOM 104 N GLN A 15 -13.160 14.660 17.014 1.00 4.85 AAAA N ATOM 105 CA GLN A 15 -12.676 14.394 18.373 1.00 5.13 AAAA C ATOM 106 CB GLN A 15 -11.172 14.095 18.371 1.00 5.28 AAAA C ATOM 107 CG GLN A 15 -10.683 13.134 17.297 1.00 5.48 AAAA C ATOM 108 CD GLN A 15 -10.666 11.693 17.697 1.00 5.71 AAAA C ATOM 109 OE1 GLN A 15 -11.022 11.330 18.824 1.00 6.11 AAAA O ATOM 110 NE2 GLN A 15 -10.281 10.838 16.762 1.00 5.73 AAAA N ATOM 111 C GLN A 15 -12.952 15.542 19.332 1.00 5.24 AAAA C ATOM 112 O GLN A 15 -12.403 15.560 20.426 1.00 5.25 AAAA O ATOM 113 N GLY A 16 -13.787 16.501 18.935 1.00 5.50 AAAA N ATOM 114 CA GLY A 16 -14.308 17.511 19.862 1.00 5.77 AAAA C ATOM 115 C GLY A 16 -13.459 18.747 20.095 1.00 5.97 AAAA C ATOM 116 O GLY A 16 -13.660 19.468 21.084 1.00 6.03 AAAA O ATOM 117 N MET A 17 -12.541 19.016 19.170 1.00 6.38 AAAA N ATOM 118 CA MET A 17 -11.648 20.174 19.263 1.00 6.71 AAAA C ATOM 119 CB MET A 17 -10.325 19.822 18.607 1.00 7.41 AAAA C ATOM 120 CG MET A 17 -9.561 18.834 19.449 1.00 8.10 AAAA C ATOM 121 SD MET A 17 -8.768 19.696 20.791 1.00 9.84 AAAA S ATOM 122 CE MET A 17 -7.446 20.262 19.775 1.00 9.07 AAAA C ATOM 123 C MET A 17 -12.145 21.509 18.697 1.00 6.41 AAAA C ATOM 124 O MET A 17 -11.728 22.562 19.202 1.00 6.36 AAAA O ATOM 125 N ASN A 18 -12.969 21.501 17.645 1.00 6.01 AAAA N ATOM 126 CA ASN A 18 -13.569 22.763 17.157 1.00 5.77 AAAA C ATOM 127 CB ASN A 18 -14.486 22.551 15.927 1.00 5.94 AAAA C ATOM 128 CG ASN A 18 -14.956 23.864 15.270 1.00 6.11 AAAA C ATOM 129 OD1 ASN A 18 -14.595 24.973 15.677 1.00 6.34 AAAA O ATOM 130 ND2 ASN A 18 -15.773 23.731 14.229 1.00 6.11 AAAA N ATOM 131 C ASN A 18 -14.363 23.376 18.310 1.00 5.27 AAAA C ATOM 132 O ASN A 18 -15.339 22.779 18.783 1.00 5.37 AAAA O ATOM 133 N GLY A 19 -13.916 24.550 18.763 1.00 4.71 AAAA N ATOM 134 CA GLY A 19 -14.605 25.323 19.783 1.00 4.28 AAAA C ATOM 135 C GLY A 19 -14.281 24.946 21.218 1.00 3.89 AAAA C ATOM 136 O GLY A 19 -14.924 25.437 22.160 1.00 3.75 AAAA O ATOM 137 N TYR A 20 -13.273 24.094 21.390 1.00 3.60 AAAA N ATOM 138 CA TYR A 20 -12.904 23.634 22.702 1.00 3.36 AAAA C ATOM 139 CB TYR A 20 -12.080 22.350 22.644 1.00 3.26 AAAA C ATOM 140 CG TYR A 20 -11.908 21.708 24.007 1.00 3.19 AAAA C ATOM 141 CD1 TYR A 20 -12.818 20.775 24.492 1.00 3.16 AAAA C ATOM 142 CE1 TYR A 20 -12.660 20.207 25.754 1.00 3.14 AAAA C ATOM 143 CZ TYR A 20 -11.588 20.578 26.543 1.00 3.12 AAAA C ATOM 144 OH TYR A 20 -11.431 20.022 27.796 1.00 3.14 AAAA O ATOM 145 CE2 TYR A 20 -10.679 21.495 26.075 1.00 3.09 AAAA C ATOM 146 CD2 TYR A 20 -10.853 22.065 24.830 1.00 3.12 AAAA C ATOM 147 C TYR A 20 -12.165 24.748 23.405 1.00 3.27 AAAA C ATOM 148 O TYR A 20 -11.257 25.357 22.837 1.00 3.15 AAAA O ATOM 149 N GLN A 21 -12.594 25.043 24.628 1.00 3.21 AAAA N ATOM 150 CA GLN A 21 -12.084 26.185 25.377 1.00 3.19 AAAA C ATOM 151 CB GLN A 21 -10.641 25.925 25.815 1.00 3.30 AAAA C ATOM 152 CG GLN A 21 -10.494 24.984 26.995 1.00 3.45 AAAA C ATOM 153 CD GLN A 21 -10.914 25.608 28.322 1.00 3.58 AAAA C ATOM 154 OE1 GLN A 21 -11.793 25.099 29.003 1.00 3.80 AAAA O ATOM 155 NE2 GLN A 21 -10.262 26.688 28.700 1.00 3.70 AAAA N ATOM 156 C GLN A 21 -12.185 27.470 24.555 1.00 3.01 AAAA C ATOM 157 O GLN A 21 -11.431 28.397 24.773 1.00 3.00 AAAA O ATOM 158 N HIS A 22 -13.160 27.530 23.644 1.00 2.85 AAAA N ATOM 159 CA HIS A 22 -13.404 28.706 22.770 1.00 2.76 AAAA C ATOM 160 CB HIS A 22 -13.194 30.044 23.480 1.00 2.88 AAAA C ATOM 161 CG HIS A 22 -14.082 30.277 24.645 1.00 2.99 AAAA C ATOM 162 ND1 HIS A 22 -13.845 31.297 25.540 1.00 3.05 AAAA N ATOM 163 CE1 HIS A 22 -14.795 31.283 26.457 1.00 3.06 AAAA C ATOM 164 NE2 HIS A 22 -15.642 30.305 26.181 1.00 3.07 AAAA N ATOM 165 CD2 HIS A 22 -15.222 29.663 25.049 1.00 3.04 AAAA C ATOM 166 C HIS A 22 -12.502 28.804 21.562 1.00 2.59 AAAA C ATOM 167 O HIS A 22 -12.508 29.819 20.857 1.00 2.53 AAAA O ATOM 168 N ILE A 23 -11.690 27.805 21.334 1.00 2.45 AAAA N ATOM 169 CA ILE A 23 -10.710 27.918 20.276 1.00 2.36 AAAA C ATOM 170 CB ILE A 23 -9.358 27.300 20.664 1.00 2.32 AAAA C ATOM 171 CG1 ILE A 23 -8.652 28.144 21.739 1.00 2.30 AAAA C ATOM 172 CD1 ILE A 23 -7.847 29.321 21.221 1.00 2.29 AAAA C ATOM 173 CG2 ILE A 23 -8.520 27.144 19.416 1.00 2.37 AAAA C ATOM 174 C ILE A 23 -11.250 27.243 19.012 1.00 2.32 AAAA C ATOM 175 O ILE A 23 -11.499 26.051 19.006 1.00 2.37 AAAA O ATOM 176 N THR A 24 -11.412 28.021 17.948 1.00 2.23 AAAA N ATOM 177 CA THR A 24 -12.010 27.517 16.709 1.00 2.19 AAAA C ATOM 178 CB THR A 24 -12.294 28.655 15.730 1.00 2.23 AAAA C ATOM 179 OG1 THR A 24 -11.065 29.343 15.439 1.00 2.24 AAAA O ATOM 180 CG2 THR A 24 -13.290 29.606 16.315 1.00 2.30 AAAA C ATOM 181 C THR A 24 -11.111 26.501 16.014 1.00 2.11 AAAA C ATOM 182 O THR A 24 -9.904 26.464 16.231 1.00 2.14 AAAA O ATOM 183 N LEU A 25 -11.725 25.686 15.165 1.00 2.05 AAAA N ATOM 184 CA LEU A 25 -11.017 24.628 14.455 1.00 2.03 AAAA C ATOM 185 CB LEU A 25 -11.971 23.862 13.534 1.00 2.04 AAAA C ATOM 186 CG LEU A 25 -11.429 22.543 12.963 1.00 2.03 AAAA C ATOM 187 CD1 LEU A 25 -10.978 21.607 14.076 1.00 2.03 AAAA C ATOM 188 CD2 LEU A 25 -12.478 21.897 12.053 1.00 2.03 AAAA C ATOM 189 C LEU A 25 -9.814 25.183 13.682 1.00 2.03 AAAA C ATOM 190 O LEU A 25 -8.739 24.551 13.628 1.00 2.02 AAAA O ATOM 191 N PRO A 26 -9.978 26.372 13.099 1.00 2.02 AAAA N ATOM 192 CA PRO A 26 -8.880 27.072 12.459 1.00 2.02 AAAA C ATOM 193 CB PRO A 26 -9.532 28.415 12.055 1.00 2.03 AAAA C ATOM 194 CG PRO A 26 -11.054 28.328 12.211 1.00 2.04 AAAA C ATOM 195 CD PRO A 26 -11.305 26.940 12.750 1.00 2.04 AAAA C ATOM 196 C PRO A 26 -7.595 27.250 13.354 1.00 2.00 AAAA C ATOM 197 O PRO A 26 -6.465 27.098 12.897 1.00 2.00 AAAA O ATOM 198 N ASN A 27 -7.772 27.577 14.618 1.00 2.00 AAAA N ATOM 199 CA ASN A 27 -6.627 27.698 15.532 1.00 2.00 AAAA C ATOM 200 CB ASN A 27 -7.099 28.215 16.878 1.00 2.00 AAAA C ATOM 201 CG ASN A 27 -7.381 29.698 16.851 1.00 2.00 AAAA C ATOM 202 OD1 ASN A 27 -6.466 30.503 16.843 1.00 2.00 AAAA O ATOM 203 ND2 ASN A 27 -8.666 30.063 16.792 1.00 2.00 AAAA N ATOM 204 C ASN A 27 -5.857 26.425 15.743 1.00 2.00 AAAA C ATOM 205 O ASN A 27 -4.637 26.440 15.832 1.00 2.00 AAAA O ATOM 206 N TRP A 28 -6.585 25.322 15.857 1.00 2.00 AAAA N ATOM 207 CA TRP A 28 -5.986 24.017 16.088 1.00 2.00 AAAA C ATOM 208 CB TRP A 28 -7.099 23.026 16.442 1.00 2.00 AAAA C ATOM 209 CG TRP A 28 -7.715 23.319 17.757 1.00 2.03 AAAA C ATOM 210 CD1 TRP A 28 -8.965 23.817 18.012 1.00 2.03 AAAA C ATOM 211 NE1 TRP A 28 -9.144 23.962 19.367 1.00 2.04 AAAA N ATOM 212 CE2 TRP A 28 -8.005 23.548 20.009 1.00 2.06 AAAA C ATOM 213 CD2 TRP A 28 -7.079 23.146 19.014 1.00 2.06 AAAA C ATOM 214 CE3 TRP A 28 -5.816 22.683 19.397 1.00 2.15 AAAA C ATOM 215 CZ3 TRP A 28 -5.513 22.640 20.720 1.00 2.24 AAAA C ATOM 216 CH2 TRP A 28 -6.456 23.062 21.700 1.00 2.18 AAAA C ATOM 217 CZ2 TRP A 28 -7.699 23.508 21.365 1.00 2.12 AAAA C ATOM 218 C TRP A 28 -5.222 23.511 14.867 1.00 2.00 AAAA C ATOM 219 O TRP A 28 -4.153 22.900 15.000 1.00 2.00 AAAA O ATOM 220 N VAL A 29 -5.783 23.750 13.681 1.00 2.00 AAAA N ATOM 221 CA VAL A 29 -5.140 23.312 12.423 1.00 2.00 AAAA C ATOM 222 CB VAL A 29 -6.110 23.352 11.222 1.00 2.00 AAAA C ATOM 223 CG1 VAL A 29 -5.412 23.002 9.923 1.00 2.00 AAAA C ATOM 224 CG2 VAL A 29 -7.275 22.405 11.458 1.00 2.00 AAAA C ATOM 225 C VAL A 29 -3.872 24.135 12.167 1.00 2.00 AAAA C ATOM 226 O VAL A 29 -2.817 23.593 11.822 1.00 2.00 AAAA O ATOM 227 N CYS A 30 -3.980 25.452 12.354 1.00 2.00 AAAA N ATOM 228 CA CYS A 30 -2.820 26.336 12.397 1.00 2.01 AAAA C ATOM 229 CB CYS A 30 -3.240 27.775 12.775 1.00 2.02 AAAA C ATOM 230 SG CYS A 30 -1.960 29.006 12.384 1.00 2.02 AAAA S ATOM 231 C CYS A 30 -1.728 25.838 13.343 1.00 2.01 AAAA C ATOM 232 O CYS A 30 -0.559 25.741 12.963 1.00 2.00 AAAA O ATOM 233 N THR A 31 -2.088 25.534 14.588 1.00 2.01 AAAA N ATOM 234 CA THR A 31 -1.100 25.037 15.569 1.00 2.03 AAAA C ATOM 235 CB THR A 31 -1.746 24.683 16.948 1.00 2.10 AAAA C ATOM 236 OG1 THR A 31 -2.777 23.714 16.780 1.00 2.31 AAAA O ATOM 237 CG2 THR A 31 -2.341 25.874 17.629 1.00 2.18 AAAA C ATOM 238 C THR A 31 -0.366 23.817 15.056 1.00 2.00 AAAA C ATOM 239 O THR A 31 0.853 23.711 15.132 1.00 2.01 AAAA O ATOM 240 N ALA A 32 -1.133 22.863 14.561 1.00 2.00 AAAA N ATOM 241 CA ALA A 32 -0.556 21.616 14.083 1.00 2.00 AAAA C ATOM 242 CB ALA A 32 -1.668 20.638 13.738 1.00 2.00 AAAA C ATOM 243 C ALA A 32 0.373 21.850 12.895 1.00 2.00 AAAA C ATOM 244 O ALA A 32 1.413 21.205 12.769 1.00 2.00 AAAA O ATOM 245 N PHE A 33 -0.014 22.759 12.011 1.00 2.00 AAAA N ATOM 246 CA PHE A 33 0.827 23.111 10.871 1.00 2.00 AAAA C ATOM 247 CB PHE A 33 0.178 24.181 10.004 1.00 2.00 AAAA C ATOM 248 CG PHE A 33 0.975 24.502 8.789 1.00 2.00 AAAA C ATOM 249 CD1 PHE A 33 1.258 23.514 7.856 1.00 2.00 AAAA C ATOM 250 CE1 PHE A 33 2.008 23.778 6.719 1.00 2.00 AAAA C ATOM 251 CZ PHE A 33 2.492 25.045 6.520 1.00 2.00 AAAA C ATOM 252 CE2 PHE A 33 2.201 26.050 7.441 1.00 2.00 AAAA C ATOM 253 CD2 PHE A 33 1.464 25.763 8.576 1.00 2.00 AAAA C ATOM 254 C PHE A 33 2.218 23.568 11.306 1.00 2.00 AAAA C ATOM 255 O PHE A 33 3.217 23.038 10.851 1.00 2.00 AAAA O ATOM 256 N HIS A 34 2.286 24.511 12.235 1.00 2.00 AAAA N ATOM 257 CA HIS A 34 3.577 25.060 12.611 1.00 2.00 AAAA C ATOM 258 CB HIS A 34 3.429 26.529 13.007 1.00 2.00 AAAA C ATOM 259 CG HIS A 34 2.975 27.410 11.887 1.00 2.00 AAAA C ATOM 260 ND1 HIS A 34 3.605 27.446 10.660 1.00 2.00 AAAA N ATOM 261 CE1 HIS A 34 2.989 28.312 9.875 1.00 2.00 AAAA C ATOM 262 NE2 HIS A 34 1.978 28.837 10.548 1.00 2.00 AAAA N ATOM 263 CD2 HIS A 34 1.953 28.292 11.810 1.00 2.00 AAAA C ATOM 264 C HIS A 34 4.311 24.245 13.686 1.00 2.00 AAAA C ATOM 265 O HIS A 34 5.518 24.379 13.816 1.00 2.00 AAAA O ATOM 266 N GLU A 35 3.602 23.401 14.437 1.00 2.00 AAAA N ATOM 267 CA GLU A 35 4.251 22.494 15.384 1.00 2.00 AAAA C ATOM 268 CB GLU A 35 3.252 22.030 16.448 1.00 2.02 AAAA C ATOM 269 CG GLU A 35 2.768 23.122 17.392 1.00 2.05 AAAA C ATOM 270 CD GLU A 35 3.843 23.656 18.292 1.00 2.08 AAAA C ATOM 271 OE1 GLU A 35 5.004 23.226 18.149 1.00 2.20 AAAA O ATOM 272 OE2 GLU A 35 3.532 24.551 19.117 1.00 2.15 AAAA O ATOM 273 C GLU A 35 4.871 21.287 14.677 1.00 2.00 AAAA C ATOM 274 O GLU A 35 6.001 20.898 14.966 1.00 2.00 AAAA O ATOM 275 N SER A 36 4.121 20.667 13.782 1.00 2.01 AAAA N ATOM 276 CA SER A 36 4.519 19.382 13.233 1.00 2.00 AAAA C ATOM 277 CB SER A 36 3.616 18.302 13.827 1.00 2.01 AAAA C ATOM 278 OG SER A 36 2.318 18.427 13.263 1.00 2.01 AAAA O ATOM 279 C SER A 36 4.439 19.269 11.712 1.00 2.02 AAAA C ATOM 280 O SER A 36 4.748 18.189 11.179 1.00 2.00 AAAA O ATOM 281 N SER A 37 4.001 20.335 11.010 1.00 2.09 AAAA N ATOM 282 CA SER A 37 3.687 20.256 9.575 1.00 2.17 AAAA C ATOM 283 CB SER A 37 4.999 20.120 8.761 1.00 2.21 AAAA C ATOM 284 OG SER A 37 4.899 20.615 7.433 1.00 2.32 AAAA O ATOM 285 C SER A 37 2.702 19.087 9.305 1.00 2.22 AAAA C ATOM 286 O SER A 37 2.789 18.403 8.294 1.00 2.35 AAAA O ATOM 287 N TYR A 38 1.789 18.853 10.248 1.00 2.28 AAAA N ATOM 288 CA TYR A 38 0.776 17.778 10.149 1.00 2.32 AAAA C ATOM 289 CB TYR A 38 -0.071 17.922 8.879 1.00 2.36 AAAA C ATOM 290 CG TYR A 38 -0.739 19.262 8.652 1.00 2.45 AAAA C ATOM 291 CD1 TYR A 38 -1.275 20.006 9.705 1.00 2.48 AAAA C ATOM 292 CE1 TYR A 38 -1.912 21.218 9.475 1.00 2.55 AAAA C ATOM 293 CZ TYR A 38 -2.022 21.683 8.167 1.00 2.56 AAAA C ATOM 294 OH TYR A 38 -2.636 22.863 7.858 1.00 2.94 AAAA O ATOM 295 CE2 TYR A 38 -1.512 20.958 7.111 1.00 2.53 AAAA C ATOM 296 CD2 TYR A 38 -0.885 19.750 7.359 1.00 2.50 AAAA C ATOM 297 C TYR A 38 1.316 16.322 10.200 1.00 2.31 AAAA C ATOM 298 O TYR A 38 0.616 15.374 9.814 1.00 2.28 AAAA O ATOM 299 N ASN A 39 2.549 16.162 10.675 1.00 2.36 AAAA N ATOM 300 CA ASN A 39 3.222 14.868 10.791 1.00 2.42 AAAA C ATOM 301 CB ASN A 39 4.711 15.052 10.481 1.00 2.40 AAAA C ATOM 302 CG ASN A 39 5.462 13.736 10.294 1.00 2.39 AAAA C ATOM 303 OD1 ASN A 39 4.974 12.641 10.614 1.00 2.39 AAAA O ATOM 304 ND2 ASN A 39 6.646 13.839 9.723 1.00 2.45 AAAA N ATOM 305 C ASN A 39 3.079 14.285 12.198 1.00 2.53 AAAA C ATOM 306 O ASN A 39 3.652 14.812 13.149 1.00 2.51 AAAA O ATOM 307 N THR A 40 2.318 13.194 12.322 1.00 2.71 AAAA N ATOM 308 CA THR A 40 2.083 12.546 13.604 1.00 2.91 AAAA C ATOM 309 CB THR A 40 1.071 11.381 13.504 1.00 2.92 AAAA C ATOM 310 OG1 THR A 40 1.531 10.384 12.592 1.00 2.96 AAAA O ATOM 311 CG2 THR A 40 -0.246 11.853 13.028 1.00 2.92 AAAA C ATOM 312 C THR A 40 3.360 11.980 14.222 1.00 3.04 AAAA C ATOM 313 O THR A 40 3.386 11.724 15.412 1.00 3.13 AAAA O ATOM 314 N ARG A 41 4.407 11.793 13.417 1.00 3.24 AAAA N ATOM 315 CA ARG A 41 5.671 11.215 13.899 1.00 3.44 AAAA C ATOM 316 CB ARG A 41 6.301 10.316 12.834 1.00 3.72 AAAA C ATOM 317 CG ARG A 41 5.308 9.427 12.123 1.00 4.08 AAAA C ATOM 318 CD ARG A 41 4.439 8.673 13.098 1.00 4.42 AAAA C ATOM 319 NE ARG A 41 4.095 7.339 12.627 1.00 4.82 AAAA N ATOM 320 CZ ARG A 41 2.887 6.792 12.669 1.00 5.10 AAAA C ATOM 321 NH1 ARG A 41 1.860 7.462 13.184 1.00 5.24 AAAA N ATOM 322 NH2 ARG A 41 2.722 5.564 12.196 1.00 5.36 AAAA N ATOM 323 C ARG A 41 6.701 12.234 14.317 1.00 3.24 AAAA C ATOM 324 O ARG A 41 7.787 11.850 14.738 1.00 3.22 AAAA O ATOM 325 N ALA A 42 6.380 13.513 14.200 1.00 3.02 AAAA N ATOM 326 CA ALA A 42 7.314 14.567 14.514 1.00 2.93 AAAA C ATOM 327 CB ALA A 42 6.684 15.918 14.205 1.00 2.85 AAAA C ATOM 328 C ALA A 42 7.740 14.486 15.987 1.00 2.90 AAAA C ATOM 329 O ALA A 42 6.905 14.344 16.884 1.00 2.81 AAAA O ATOM 330 N THR A 43 9.052 14.532 16.220 1.00 2.97 AAAA N ATOM 331 CA THR A 43 9.626 14.669 17.559 1.00 3.04 AAAA C ATOM 332 CB THR A 43 10.184 13.346 18.117 1.00 2.96 AAAA C ATOM 333 OG1 THR A 43 11.328 12.927 17.364 1.00 2.88 AAAA O ATOM 334 CG2 THR A 43 9.098 12.252 18.125 1.00 2.95 AAAA C ATOM 335 C THR A 43 10.717 15.739 17.545 1.00 3.17 AAAA C ATOM 336 O THR A 43 11.443 15.846 16.574 1.00 3.23 AAAA O ATOM 337 N ASN A 44 10.804 16.542 18.610 1.00 3.32 AAAA N ATOM 338 CA ASN A 44 11.801 17.602 18.696 1.00 3.49 AAAA C ATOM 339 CB ASN A 44 11.265 18.913 18.111 1.00 3.50 AAAA C ATOM 340 CG ASN A 44 11.000 18.823 16.606 1.00 3.48 AAAA C ATOM 341 OD1 ASN A 44 11.943 18.803 15.791 1.00 3.67 AAAA O ATOM 342 ND2 ASN A 44 9.725 18.758 16.230 1.00 3.51 AAAA N ATOM 343 C ASN A 44 12.243 17.798 20.140 1.00 3.67 AAAA C ATOM 344 O ASN A 44 11.429 17.952 21.042 1.00 3.58 AAAA O ATOM 345 N HIS A 45 13.545 17.802 20.336 1.00 3.93 AAAA N ATOM 346 CA HIS A 45 14.124 17.927 21.655 1.00 4.21 AAAA C ATOM 347 CB HIS A 45 15.524 17.332 21.665 1.00 4.46 AAAA C ATOM 348 CG HIS A 45 15.873 16.692 22.960 1.00 4.73 AAAA C ATOM 349 ND1 HIS A 45 16.628 17.321 23.918 1.00 4.99 AAAA N ATOM 350 CE1 HIS A 45 16.753 16.527 24.969 1.00 5.06 AAAA C ATOM 351 NE2 HIS A 45 16.061 15.425 24.741 1.00 4.97 AAAA N ATOM 352 CD2 HIS A 45 15.508 15.500 23.486 1.00 4.89 AAAA C ATOM 353 C HIS A 45 14.192 19.379 22.075 1.00 4.31 AAAA C ATOM 354 O HIS A 45 14.603 20.243 21.281 1.00 4.57 AAAA O ATOM 355 N ASN A 46 13.803 19.635 23.322 1.00 4.20 AAAA N ATOM 356 CA ASN A 46 13.848 20.968 23.891 1.00 4.23 AAAA C ATOM 357 CB ASN A 46 12.697 21.163 24.894 1.00 4.29 AAAA C ATOM 358 CG ASN A 46 11.321 20.940 24.284 1.00 4.34 AAAA C ATOM 359 OD1 ASN A 46 10.455 20.280 24.881 1.00 4.33 AAAA O ATOM 360 ND2 ASN A 46 11.103 21.485 23.090 1.00 4.37 AAAA N ATOM 361 C ASN A 46 15.201 21.204 24.576 1.00 4.27 AAAA C ATOM 362 O ASN A 46 15.928 20.267 24.909 1.00 4.34 AAAA O ATOM 363 N THR A 47 15.515 22.471 24.808 1.00 4.43 AAAA N ATOM 364 CA THR A 47 16.765 22.859 25.439 1.00 4.39 AAAA C ATOM 365 CB THR A 47 16.968 24.396 25.359 1.00 4.50 AAAA C ATOM 366 OG1 THR A 47 18.273 24.750 25.802 1.00 4.69 AAAA O ATOM 367 CG2 THR A 47 15.930 25.131 26.180 1.00 4.52 AAAA C ATOM 368 C THR A 47 16.927 22.377 26.901 1.00 4.23 AAAA C ATOM 369 O THR A 47 18.057 22.151 27.370 1.00 4.42 AAAA O ATOM 370 N ASP A 48 15.800 22.190 27.590 1.00 4.01 AAAA N ATOM 371 CA ASP A 48 15.812 21.734 28.974 1.00 3.84 AAAA C ATOM 372 CB ASP A 48 14.569 22.230 29.724 1.00 3.90 AAAA C ATOM 373 CG ASP A 48 13.273 21.655 29.173 1.00 3.96 AAAA C ATOM 374 OD1 ASP A 48 13.326 20.753 28.304 1.00 3.94 AAAA O ATOM 375 OD2 ASP A 48 12.186 22.117 29.590 1.00 4.17 AAAA O ATOM 376 C ASP A 48 15.908 20.215 29.097 1.00 3.59 AAAA C ATOM 377 O ASP A 48 15.842 19.690 30.208 1.00 3.74 AAAA O ATOM 378 N GLY A 49 16.027 19.508 27.970 1.00 3.27 AAAA N ATOM 379 CA GLY A 49 16.164 18.043 27.992 1.00 3.02 AAAA C ATOM 380 C GLY A 49 14.883 17.256 27.739 1.00 2.78 AAAA C ATOM 381 O GLY A 49 14.927 16.063 27.464 1.00 2.70 AAAA O ATOM 382 N SER A 50 13.736 17.919 27.848 1.00 2.54 AAAA N ATOM 383 CA SER A 50 12.465 17.330 27.486 1.00 2.41 AAAA C ATOM 384 CB SER A 50 11.343 18.173 28.078 1.00 2.40 AAAA C ATOM 385 OG SER A 50 11.252 19.431 27.419 1.00 2.40 AAAA O ATOM 386 C SER A 50 12.350 17.226 25.962 1.00 2.30 AAAA C ATOM 387 O SER A 50 13.171 17.782 25.218 1.00 2.27 AAAA O ATOM 388 N THR A 51 11.332 16.498 25.511 1.00 2.25 AAAA N ATOM 389 CA THR A 51 11.052 16.322 24.099 1.00 2.18 AAAA C ATOM 390 CB THR A 51 11.454 14.894 23.693 1.00 2.16 AAAA C ATOM 391 OG1 THR A 51 12.826 14.702 24.022 1.00 2.15 AAAA O ATOM 392 CG2 THR A 51 11.245 14.643 22.218 1.00 2.14 AAAA C ATOM 393 C THR A 51 9.575 16.580 23.836 1.00 2.22 AAAA C ATOM 394 O THR A 51 8.742 16.329 24.715 1.00 2.12 AAAA O ATOM 395 N ASP A 52 9.283 17.094 22.632 1.00 2.35 AAAA N ATOM 396 CA ASP A 52 7.921 17.367 22.142 1.00 2.47 AAAA C ATOM 397 CB ASP A 52 7.860 18.724 21.420 1.00 2.66 AAAA C ATOM 398 CG ASP A 52 7.846 19.920 22.371 1.00 2.81 AAAA C ATOM 399 OD1 ASP A 52 7.795 19.747 23.610 1.00 2.94 AAAA O ATOM 400 OD2 ASP A 52 7.905 21.065 21.858 1.00 3.20 AAAA O ATOM 401 C ASP A 52 7.504 16.286 21.144 1.00 2.43 AAAA C ATOM 402 O ASP A 52 8.312 15.889 20.299 1.00 2.38 AAAA O ATOM 403 N TYR A 53 6.259 15.813 21.254 1.00 2.42 AAAA N ATOM 404 CA TYR A 53 5.824 14.642 20.468 1.00 2.37 AAAA C ATOM 405 CB TYR A 53 5.607 13.427 21.372 1.00 2.36 AAAA C ATOM 406 CG TYR A 53 6.851 12.939 22.054 1.00 2.34 AAAA C ATOM 407 CD1 TYR A 53 7.327 13.574 23.175 1.00 2.36 AAAA C ATOM 408 CE1 TYR A 53 8.456 13.135 23.822 1.00 2.36 AAAA C ATOM 409 CZ TYR A 53 9.141 12.045 23.355 1.00 2.35 AAAA C ATOM 410 OH TYR A 53 10.270 11.634 24.021 1.00 2.41 AAAA O ATOM 411 CE2 TYR A 53 8.701 11.388 22.230 1.00 2.35 AAAA C ATOM 412 CD2 TYR A 53 7.558 11.828 21.587 1.00 2.35 AAAA C ATOM 413 C TYR A 53 4.534 14.868 19.724 1.00 2.43 AAAA C ATOM 414 O TYR A 53 3.579 15.360 20.313 1.00 2.37 AAAA O ATOM 415 N GLY A 54 4.532 14.479 18.450 1.00 2.47 AAAA N ATOM 416 CA GLY A 54 3.349 14.356 17.664 1.00 2.63 AAAA C ATOM 417 C GLY A 54 2.890 15.606 16.952 1.00 2.76 AAAA C ATOM 418 O GLY A 54 3.558 16.638 16.924 1.00 2.68 AAAA O ATOM 419 N ILE A 55 1.685 15.473 16.413 1.00 2.90 AAAA N ATOM 420 CA ILE A 55 1.001 16.495 15.632 1.00 3.04 AAAA C ATOM 421 CB ILE A 55 -0.412 15.964 15.275 1.00 3.13 AAAA C ATOM 422 CG1 ILE A 55 -1.056 16.791 14.152 1.00 3.19 AAAA C ATOM 423 CD1 ILE A 55 -0.784 16.221 12.788 1.00 3.20 AAAA C ATOM 424 CG2 ILE A 55 -1.305 15.867 16.500 1.00 3.17 AAAA C ATOM 425 C ILE A 55 0.926 17.846 16.356 1.00 3.05 AAAA C ATOM 426 O ILE A 55 0.938 18.899 15.726 1.00 3.04 AAAA O ATOM 427 N LEU A 56 0.835 17.824 17.685 1.00 3.13 AAAA N ATOM 428 CA LEU A 56 0.777 19.067 18.436 1.00 3.21 AAAA C ATOM 429 CB LEU A 56 -0.575 19.190 19.114 1.00 3.40 AAAA C ATOM 430 CG LEU A 56 -1.648 19.661 18.105 1.00 3.48 AAAA C ATOM 431 CD1 LEU A 56 -3.019 19.236 18.512 1.00 3.61 AAAA C ATOM 432 CD2 LEU A 56 -1.592 21.181 17.988 1.00 3.50 AAAA C ATOM 433 C LEU A 56 1.948 19.290 19.402 1.00 3.22 AAAA C ATOM 434 O LEU A 56 1.908 20.174 20.244 1.00 3.15 AAAA O ATOM 435 N GLN A 57 3.011 18.508 19.205 1.00 3.25 AAAA N ATOM 436 CA GLN A 57 4.283 18.712 19.877 1.00 3.29 AAAA C ATOM 437 CB GLN A 57 5.026 19.899 19.246 1.00 3.18 AAAA C ATOM 438 CG GLN A 57 5.533 19.601 17.835 1.00 3.14 AAAA C ATOM 439 CD GLN A 57 6.557 18.495 17.832 1.00 3.09 AAAA C ATOM 440 OE1 GLN A 57 6.236 17.307 17.625 1.00 3.17 AAAA O ATOM 441 NE2 GLN A 57 7.793 18.855 18.104 1.00 3.01 AAAA N ATOM 442 C GLN A 57 4.094 18.851 21.402 1.00 3.45 AAAA C ATOM 443 O GLN A 57 4.434 19.859 22.031 1.00 3.60 AAAA O ATOM 444 N ILE A 58 3.540 17.798 21.988 1.00 3.73 AAAA N ATOM 445 CA ILE A 58 3.260 17.770 23.415 1.00 3.87 AAAA C ATOM 446 CB ILE A 58 2.112 16.794 23.729 1.00 4.00 AAAA C ATOM 447 CG1 ILE A 58 0.841 17.220 22.973 1.00 4.05 AAAA C ATOM 448 CD1 ILE A 58 0.477 18.678 23.111 1.00 4.19 AAAA C ATOM 449 CG2 ILE A 58 1.845 16.711 25.223 1.00 4.04 AAAA C ATOM 450 C ILE A 58 4.513 17.398 24.198 1.00 3.99 AAAA C ATOM 451 O ILE A 58 5.141 16.376 23.923 1.00 3.96 AAAA O ATOM 452 N ASN A 59 4.852 18.255 25.170 1.00 4.21 AAAA N ATOM 453 CA ASN A 59 6.127 18.246 25.892 1.00 4.37 AAAA C ATOM 454 CB ASN A 59 6.339 19.671 26.446 1.00 4.56 AAAA C ATOM 455 CG ASN A 59 7.698 19.915 27.098 1.00 4.78 AAAA C ATOM 456 OD1 ASN A 59 8.346 19.028 27.632 1.00 5.08 AAAA O ATOM 457 ND2 ASN A 59 8.090 21.183 27.127 1.00 4.93 AAAA N ATOM 458 C ASN A 59 6.117 17.189 26.997 1.00 4.34 AAAA C ATOM 459 O ASN A 59 5.175 17.129 27.806 1.00 4.51 AAAA O ATOM 460 N SER A 60 7.165 16.365 27.017 1.00 4.37 AAAA N ATOM 461 CA SER A 60 7.381 15.348 28.051 1.00 4.33 AAAA C ATOM 462 CB SER A 60 8.517 14.400 27.640 1.00 4.30 AAAA C ATOM 463 OG SER A 60 9.810 14.978 27.788 1.00 4.34 AAAA O ATOM 464 C SER A 60 7.683 15.865 29.461 1.00 4.42 AAAA C ATOM 465 O SER A 60 7.788 15.065 30.372 1.00 4.40 AAAA O ATOM 466 N ARG A 61 7.892 17.170 29.630 1.00 4.44 AAAA N ATOM 467 CA ARG A 61 8.146 17.767 30.949 1.00 4.53 AAAA C ATOM 468 CB ARG A 61 8.675 19.200 30.791 1.00 4.65 AAAA C ATOM 469 CG ARG A 61 8.856 20.011 32.086 1.00 4.86 AAAA C ATOM 470 CD ARG A 61 9.566 19.278 33.231 1.00 4.99 AAAA C ATOM 471 NE ARG A 61 9.463 20.001 34.515 1.00 5.24 AAAA N ATOM 472 CZ ARG A 61 8.494 19.867 35.427 1.00 5.24 AAAA C ATOM 473 NH1 ARG A 61 7.491 19.002 35.266 1.00 5.34 AAAA N ATOM 474 NH2 ARG A 61 8.541 20.607 36.533 1.00 5.39 AAAA N ATOM 475 C ARG A 61 6.907 17.752 31.853 1.00 4.42 AAAA C ATOM 476 O ARG A 61 7.033 17.636 33.074 1.00 4.50 AAAA O ATOM 477 N TYR A 62 5.719 17.847 31.266 1.00 4.21 AAAA N ATOM 478 CA TYR A 62 4.479 17.837 32.072 1.00 4.07 AAAA C ATOM 479 CB TYR A 62 3.824 19.234 32.041 1.00 4.28 AAAA C ATOM 480 CG TYR A 62 4.559 20.228 32.914 1.00 4.43 AAAA C ATOM 481 CD1 TYR A 62 4.424 20.198 34.302 1.00 4.55 AAAA C ATOM 482 CE1 TYR A 62 5.112 21.082 35.115 1.00 4.72 AAAA C ATOM 483 CZ TYR A 62 5.964 22.010 34.546 1.00 4.71 AAAA C ATOM 484 OH TYR A 62 6.639 22.872 35.376 1.00 4.91 AAAA O ATOM 485 CE2 TYR A 62 6.130 22.042 33.167 1.00 4.65 AAAA C ATOM 486 CD2 TYR A 62 5.429 21.153 32.366 1.00 4.57 AAAA C ATOM 487 C TYR A 62 3.451 16.760 31.727 1.00 3.80 AAAA C ATOM 488 O TYR A 62 2.744 16.300 32.621 1.00 3.77 AAAA O ATOM 489 N TRP A 63 3.381 16.359 30.457 1.00 3.47 AAAA N ATOM 490 CA TRP A 63 2.161 15.736 29.891 1.00 3.28 AAAA C ATOM 491 CB TRP A 63 1.706 16.536 28.682 1.00 3.16 AAAA C ATOM 492 CG TRP A 63 1.560 17.970 29.038 1.00 3.07 AAAA C ATOM 493 CD1 TRP A 63 2.389 18.992 28.681 1.00 3.01 AAAA C ATOM 494 NE1 TRP A 63 1.944 20.173 29.215 1.00 3.03 AAAA N ATOM 495 CE2 TRP A 63 0.833 19.920 29.972 1.00 3.04 AAAA C ATOM 496 CD2 TRP A 63 0.562 18.537 29.877 1.00 3.05 AAAA C ATOM 497 CE3 TRP A 63 -0.548 18.018 30.551 1.00 3.04 AAAA C ATOM 498 CZ3 TRP A 63 -1.339 18.887 31.301 1.00 3.03 AAAA C ATOM 499 CH2 TRP A 63 -1.042 20.262 31.369 1.00 3.07 AAAA C ATOM 500 CZ2 TRP A 63 0.020 20.798 30.703 1.00 3.02 AAAA C ATOM 501 C TRP A 63 2.221 14.237 29.546 1.00 3.21 AAAA C ATOM 502 O TRP A 63 1.255 13.513 29.746 1.00 3.22 AAAA O ATOM 503 N CYS A 64 3.349 13.760 29.041 1.00 3.03 AAAA N ATOM 504 CA CYS A 64 3.503 12.340 28.777 1.00 2.97 AAAA C ATOM 505 CB CYS A 64 3.522 12.069 27.265 1.00 2.98 AAAA C ATOM 506 SG CYS A 64 4.722 13.042 26.340 1.00 2.98 AAAA S ATOM 507 C CYS A 64 4.779 11.846 29.397 1.00 2.91 AAAA C ATOM 508 O CYS A 64 5.635 12.632 29.782 1.00 2.90 AAAA O ATOM 509 N HIS A 65 4.919 10.523 29.463 1.00 2.82 AAAA N ATOM 510 CA HIS A 65 6.148 9.922 29.899 1.00 2.78 AAAA C ATOM 511 CB HIS A 65 5.827 8.754 30.793 1.00 2.81 AAAA C ATOM 512 CG HIS A 65 7.034 8.082 31.309 1.00 2.86 AAAA C ATOM 513 ND1 HIS A 65 7.868 8.673 32.226 1.00 2.88 AAAA N ATOM 514 CE1 HIS A 65 8.857 7.845 32.503 1.00 2.96 AAAA C ATOM 515 NE2 HIS A 65 8.706 6.753 31.776 1.00 2.99 AAAA N ATOM 516 CD2 HIS A 65 7.577 6.886 31.007 1.00 2.92 AAAA C ATOM 517 C HIS A 65 7.012 9.390 28.760 1.00 2.73 AAAA C ATOM 518 O HIS A 65 6.544 8.565 27.973 1.00 2.70 AAAA O ATOM 519 N ASP A 66 8.268 9.836 28.691 1.00 2.66 AAAA N ATOM 520 CA ASP A 66 9.254 9.219 27.792 1.00 2.66 AAAA C ATOM 521 CB ASP A 66 9.774 10.210 26.735 1.00 2.58 AAAA C ATOM 522 CG ASP A 66 10.571 11.361 27.310 1.00 2.58 AAAA C ATOM 523 OD1 ASP A 66 10.892 11.403 28.518 1.00 2.56 AAAA O ATOM 524 OD2 ASP A 66 10.898 12.250 26.523 1.00 2.55 AAAA O ATOM 525 C ASP A 66 10.424 8.553 28.520 1.00 2.74 AAAA C ATOM 526 O ASP A 66 11.351 8.056 27.885 1.00 2.74 AAAA O ATOM 527 N GLY A 67 10.394 8.566 29.851 1.00 2.88 AAAA N ATOM 528 CA GLY A 67 11.438 7.932 30.646 1.00 2.97 AAAA C ATOM 529 C GLY A 67 12.777 8.643 30.709 1.00 3.12 AAAA C ATOM 530 O GLY A 67 13.631 8.281 31.517 1.00 3.14 AAAA O ATOM 531 N LYS A 68 12.986 9.658 29.883 1.00 3.28 AAAA N ATOM 532 CA LYS A 68 14.247 10.377 29.919 1.00 3.41 AAAA C ATOM 533 CB LYS A 68 14.965 10.267 28.582 1.00 3.41 AAAA C ATOM 534 CG LYS A 68 14.271 10.937 27.417 1.00 3.43 AAAA C ATOM 535 CD LYS A 68 15.134 10.807 26.181 1.00 3.44 AAAA C ATOM 536 CE LYS A 68 14.694 11.729 25.072 1.00 3.46 AAAA C ATOM 537 NZ LYS A 68 15.626 11.622 23.915 1.00 3.50 AAAA N ATOM 538 C LYS A 68 14.040 11.814 30.326 1.00 3.56 AAAA C ATOM 539 O LYS A 68 14.924 12.652 30.114 1.00 3.63 AAAA O ATOM 540 N THR A 69 12.872 12.023 30.959 1.00 3.72 AAAA N ATOM 541 CA THR A 69 12.229 13.261 31.417 1.00 3.88 AAAA C ATOM 542 CB THR A 69 12.487 13.538 32.937 1.00 3.94 AAAA C ATOM 543 OG1 THR A 69 13.150 14.782 33.122 1.00 4.19 AAAA O ATOM 544 CG2 THR A 69 13.317 12.429 33.609 1.00 4.01 AAAA C ATOM 545 C THR A 69 12.371 14.514 30.548 1.00 3.84 AAAA C ATOM 546 O THR A 69 11.559 15.451 30.670 1.00 3.83 AAAA O ATOM 547 N GLY A 71 3.677 13.457 34.252 1.00 5.26 AAAA N ATOM 548 CA GLY A 71 2.947 12.616 33.300 1.00 5.26 AAAA C ATOM 549 C GLY A 71 1.452 12.840 33.389 1.00 5.33 AAAA C ATOM 550 O GLY A 71 0.693 11.900 33.590 1.00 5.27 AAAA O ATOM 551 N SER A 72 1.046 14.099 33.225 1.00 5.35 AAAA N ATOM 552 CA SER A 72 -0.319 14.569 33.546 1.00 5.37 AAAA C ATOM 553 CB SER A 72 -0.392 16.107 33.524 1.00 5.43 AAAA C ATOM 554 OG SER A 72 0.234 16.673 34.678 1.00 5.54 AAAA O ATOM 555 C SER A 72 -1.381 13.995 32.628 1.00 5.50 AAAA C ATOM 556 O SER A 72 -2.561 13.942 32.994 1.00 5.43 AAAA O ATOM 557 N LYS A 73 -0.974 13.571 31.437 1.00 5.62 AAAA N ATOM 558 CA LYS A 73 -1.882 12.886 30.532 1.00 5.87 AAAA C ATOM 559 CB LYS A 73 -1.401 12.967 29.095 1.00 6.21 AAAA C ATOM 560 CG LYS A 73 -2.530 12.677 28.138 1.00 6.53 AAAA C ATOM 561 CD LYS A 73 -2.087 12.055 26.833 1.00 6.76 AAAA C ATOM 562 CE LYS A 73 -3.265 12.007 25.873 1.00 6.75 AAAA C ATOM 563 NZ LYS A 73 -4.027 10.762 25.862 1.00 6.77 AAAA N ATOM 564 C LYS A 73 -2.037 11.411 30.827 1.00 5.89 AAAA C ATOM 565 O LYS A 73 -2.943 10.779 30.283 1.00 5.77 AAAA O ATOM 566 N ASN A 74 -1.126 10.854 31.623 1.00 5.93 AAAA N ATOM 567 CA ASN A 74 -1.125 9.438 31.923 1.00 6.15 AAAA C ATOM 568 CB ASN A 74 -2.401 9.070 32.690 1.00 6.34 AAAA C ATOM 569 CG ASN A 74 -2.838 10.169 33.645 1.00 6.72 AAAA C ATOM 570 OD1 ASN A 74 -3.894 10.783 33.467 1.00 6.92 AAAA O ATOM 571 ND2 ASN A 74 -2.006 10.450 34.641 1.00 6.95 AAAA N ATOM 572 C ASN A 74 -0.972 8.623 30.643 1.00 6.01 AAAA C ATOM 573 O ASN A 74 -1.758 7.725 30.384 1.00 6.26 AAAA O ATOM 574 N ALA A 75 0.040 8.968 29.840 1.00 6.02 AAAA N ATOM 575 CA ALA A 75 0.305 8.307 28.557 1.00 6.01 AAAA C ATOM 576 CB ALA A 75 -0.517 8.941 27.443 1.00 6.06 AAAA C ATOM 577 C ALA A 75 1.794 8.341 28.208 1.00 5.95 AAAA C ATOM 578 O ALA A 75 2.495 9.306 28.500 1.00 5.59 AAAA O ATOM 579 N CYS A 76 2.278 7.251 27.623 1.00 5.99 AAAA N ATOM 580 CA CYS A 76 3.609 7.239 27.045 1.00 6.21 AAAA C ATOM 581 CB CYS A 76 3.956 5.840 26.551 1.00 6.84 AAAA C ATOM 582 SG CYS A 76 2.484 4.880 26.141 1.00 8.67 AAAA S ATOM 583 C CYS A 76 3.659 8.221 25.890 1.00 5.63 AAAA C ATOM 584 O CYS A 76 2.762 8.244 25.050 1.00 5.35 AAAA O ATOM 585 N ASN A 77 4.722 9.019 25.842 1.00 5.27 AAAA N ATOM 586 CA ASN A 77 4.906 9.988 24.777 1.00 5.16 AAAA C ATOM 587 CB ASN A 77 6.279 10.639 24.864 1.00 4.86 AAAA C ATOM 588 CG ASN A 77 6.352 11.712 25.933 1.00 4.61 AAAA C ATOM 589 OD1 ASN A 77 6.427 11.421 27.049 1.00 4.41 AAAA O ATOM 590 ND2 ASN A 77 6.252 12.956 25.549 1.00 5.00 AAAA N ATOM 591 C ASN A 77 4.760 9.364 23.391 1.00 5.38 AAAA C ATOM 592 O ASN A 77 4.272 10.004 22.486 1.00 5.44 AAAA O ATOM 593 N ILE A 78 5.196 8.124 23.218 1.00 5.78 AAAA N ATOM 594 CA ILE A 78 5.150 7.508 21.886 1.00 6.25 AAAA C ATOM 595 CB ILE A 78 6.020 6.251 21.765 1.00 6.27 AAAA C ATOM 596 CG1 ILE A 78 5.513 5.125 22.685 1.00 6.20 AAAA C ATOM 597 CD1 ILE A 78 4.522 4.153 22.055 1.00 6.35 AAAA C ATOM 598 CG2 ILE A 78 7.479 6.626 21.974 1.00 6.35 AAAA C ATOM 599 C ILE A 78 3.752 7.206 21.378 1.00 6.64 AAAA C ATOM 600 O ILE A 78 3.574 6.975 20.187 1.00 7.03 AAAA O ATOM 601 N SER A 79 2.763 7.168 22.268 1.00 7.18 AAAA N ATOM 602 CA SER A 79 1.371 7.066 21.833 1.00 7.53 AAAA C ATOM 603 CB SER A 79 0.489 6.720 23.017 1.00 7.70 AAAA C ATOM 604 OG SER A 79 0.845 5.427 23.484 1.00 7.84 AAAA O ATOM 605 C SER A 79 0.900 8.337 21.144 1.00 8.03 AAAA C ATOM 606 O SER A 79 -0.121 8.332 20.438 1.00 8.12 AAAA O ATOM 607 N CYS A 80 1.659 9.417 21.346 1.00 8.40 AAAA N ATOM 608 CA CYS A 80 1.394 10.701 20.689 1.00 8.84 AAAA C ATOM 609 CB CYS A 80 2.060 11.857 21.436 1.00 9.77 AAAA C ATOM 610 SG CYS A 80 1.422 12.156 23.082 1.00 12.25 AAAA S ATOM 611 C CYS A 80 1.902 10.722 19.249 1.00 8.26 AAAA C ATOM 612 O CYS A 80 1.770 11.729 18.560 1.00 7.75 AAAA O ATOM 613 N SER A 81 2.505 9.630 18.792 1.00 7.79 AAAA N ATOM 614 CA SER A 81 3.089 9.623 17.464 1.00 7.65 AAAA C ATOM 615 CB SER A 81 4.544 9.169 17.530 1.00 7.74 AAAA C ATOM 616 OG SER A 81 5.307 9.973 18.412 1.00 8.19 AAAA O ATOM 617 C SER A 81 2.286 8.735 16.520 1.00 7.23 AAAA C ATOM 618 O SER A 81 2.733 8.395 15.437 1.00 7.44 AAAA O ATOM 619 N LYS A 82 1.080 8.390 16.945 1.00 6.89 AAAA N ATOM 620 CA LYS A 82 0.243 7.437 16.274 1.00 6.62 AAAA C ATOM 621 CB LYS A 82 -0.722 6.855 17.322 1.00 6.69 AAAA C ATOM 622 CG LYS A 82 -1.683 5.796 16.832 1.00 6.74 AAAA C ATOM 623 CD LYS A 82 -1.023 4.434 16.668 1.00 6.91 AAAA C ATOM 624 CE LYS A 82 -1.955 3.423 16.010 1.00 7.07 AAAA C ATOM 625 NZ LYS A 82 -2.510 3.924 14.718 1.00 7.15 AAAA N ATOM 626 C LYS A 82 -0.517 8.085 15.098 1.00 6.41 AAAA C ATOM 627 O LYS A 82 -0.743 9.293 15.085 1.00 6.33 AAAA O ATOM 628 N LEU A 83 -0.923 7.254 14.131 1.00 6.34 AAAA N ATOM 629 CA LEU A 83 -1.739 7.685 12.994 1.00 6.26 AAAA C ATOM 630 CB LEU A 83 -1.965 6.531 12.002 1.00 6.42 AAAA C ATOM 631 CG LEU A 83 -1.322 6.687 10.627 1.00 6.51 AAAA C ATOM 632 CD1 LEU A 83 0.179 6.782 10.745 1.00 6.57 AAAA C ATOM 633 CD2 LEU A 83 -1.719 5.540 9.709 1.00 6.51 AAAA C ATOM 634 C LEU A 83 -3.084 8.194 13.463 1.00 6.11 AAAA C ATOM 635 O LEU A 83 -3.726 9.011 12.808 1.00 6.35 AAAA O ATOM 636 N LEU A 84 -3.499 7.660 14.597 1.00 5.79 AAAA N ATOM 637 CA LEU A 84 -4.763 7.941 15.222 1.00 5.57 AAAA C ATOM 638 CB LEU A 84 -5.257 6.644 15.869 1.00 5.49 AAAA C ATOM 639 CG LEU A 84 -6.716 6.489 16.269 1.00 5.46 AAAA C ATOM 640 CD1 LEU A 84 -6.873 5.546 17.455 1.00 5.48 AAAA C ATOM 641 CD2 LEU A 84 -7.290 7.844 16.577 1.00 5.42 AAAA C ATOM 642 C LEU A 84 -4.544 9.027 16.277 1.00 5.48 AAAA C ATOM 643 O LEU A 84 -3.858 8.797 17.266 1.00 5.28 AAAA O ATOM 644 N ASP A 85 -5.166 10.187 16.087 1.00 5.50 AAAA N ATOM 645 CA ASP A 85 -4.890 11.366 16.932 1.00 5.50 AAAA C ATOM 646 CB ASP A 85 -5.044 12.678 16.111 1.00 5.77 AAAA C ATOM 647 CG ASP A 85 -6.504 13.230 16.070 1.00 6.02 AAAA C ATOM 648 OD1 ASP A 85 -7.365 12.813 16.871 1.00 6.63 AAAA O ATOM 649 OD2 ASP A 85 -6.802 14.141 15.255 1.00 6.63 AAAA O ATOM 650 C ASP A 85 -5.668 11.452 18.269 1.00 5.28 AAAA C ATOM 651 O ASP A 85 -5.578 12.474 18.960 1.00 4.97 AAAA O ATOM 652 N ASP A 86 -6.390 10.396 18.647 1.00 5.32 AAAA N ATOM 653 CA ASP A 86 -7.242 10.407 19.855 1.00 5.41 AAAA C ATOM 654 CB ASP A 86 -7.795 9.009 20.172 1.00 5.57 AAAA C ATOM 655 CG ASP A 86 -8.631 8.460 19.065 1.00 5.65 AAAA C ATOM 656 OD1 ASP A 86 -8.921 9.232 18.150 1.00 6.19 AAAA O ATOM 657 OD2 ASP A 86 -8.987 7.258 19.086 1.00 6.14 AAAA O ATOM 658 C ASP A 86 -6.468 10.892 21.077 1.00 5.43 AAAA C ATOM 659 O ASP A 86 -6.863 11.834 21.741 1.00 5.26 AAAA O ATOM 660 N ASP A 87 -5.363 10.207 21.331 1.00 5.55 AAAA N ATOM 661 CA ASP A 87 -4.493 10.459 22.468 1.00 5.78 AAAA C ATOM 662 CB ASP A 87 -3.253 9.562 22.406 1.00 6.32 AAAA C ATOM 663 CG ASP A 87 -3.560 8.174 21.905 1.00 6.84 AAAA C ATOM 664 OD1 ASP A 87 -4.292 7.428 22.605 1.00 7.51 AAAA O ATOM 665 OD2 ASP A 87 -3.055 7.822 20.806 1.00 7.56 AAAA O ATOM 666 C ASP A 87 -4.038 11.903 22.483 1.00 5.49 AAAA C ATOM 667 O ASP A 87 -4.106 12.554 23.507 1.00 5.38 AAAA O ATOM 668 N ILE A 88 -3.569 12.395 21.345 1.00 5.35 AAAA N ATOM 669 CA ILE A 88 -2.999 13.724 21.301 1.00 5.17 AAAA C ATOM 670 CB ILE A 88 -2.314 14.063 19.977 1.00 5.40 AAAA C ATOM 671 CG1 ILE A 88 -1.082 13.179 19.750 1.00 5.42 AAAA C ATOM 672 CD1 ILE A 88 -1.405 11.761 19.309 1.00 5.69 AAAA C ATOM 673 CG2 ILE A 88 -1.889 15.523 19.999 1.00 5.56 AAAA C ATOM 674 C ILE A 88 -4.085 14.753 21.514 1.00 4.80 AAAA C ATOM 675 O ILE A 88 -3.861 15.724 22.216 1.00 4.61 AAAA O ATOM 676 N THR A 89 -5.241 14.536 20.882 1.00 4.57 AAAA N ATOM 677 CA THR A 89 -6.409 15.393 21.078 1.00 4.45 AAAA C ATOM 678 CB THR A 89 -7.572 14.973 20.158 1.00 4.48 AAAA C ATOM 679 OG1 THR A 89 -7.229 15.297 18.795 1.00 4.62 AAAA O ATOM 680 CG2 THR A 89 -8.861 15.657 20.549 1.00 4.39 AAAA C ATOM 681 C THR A 89 -6.839 15.411 22.539 1.00 4.37 AAAA C ATOM 682 O THR A 89 -7.083 16.476 23.097 1.00 4.13 AAAA O ATOM 683 N ASP A 90 -6.891 14.244 23.161 1.00 4.34 AAAA N ATOM 684 CA ASP A 90 -7.230 14.149 24.577 1.00 4.44 AAAA C ATOM 685 CB ASP A 90 -7.258 12.674 25.026 1.00 4.79 AAAA C ATOM 686 CG ASP A 90 -8.561 12.006 24.685 1.00 5.04 AAAA C ATOM 687 OD1 ASP A 90 -9.472 12.760 24.267 1.00 5.53 AAAA O ATOM 688 OD2 ASP A 90 -8.671 10.760 24.820 1.00 5.58 AAAA O ATOM 689 C ASP A 90 -6.306 14.934 25.497 1.00 4.27 AAAA C ATOM 690 O ASP A 90 -6.777 15.569 26.441 1.00 4.05 AAAA O ATOM 691 N ASP A 91 -5.000 14.855 25.265 1.00 4.11 AAAA N ATOM 692 CA ASP A 91 -4.056 15.538 26.145 1.00 4.13 AAAA C ATOM 693 CB ASP A 91 -2.656 15.057 25.932 1.00 4.11 AAAA C ATOM 694 CG ASP A 91 -1.768 15.272 27.154 1.00 3.96 AAAA C ATOM 695 OD1 ASP A 91 -2.137 15.159 28.408 1.00 3.68 AAAA O ATOM 696 OD2 ASP A 91 -0.648 15.502 26.830 1.00 4.21 AAAA O ATOM 697 C ASP A 91 -4.046 17.020 25.879 1.00 4.19 AAAA C ATOM 698 O ASP A 91 -3.869 17.833 26.769 1.00 4.08 AAAA O ATOM 699 N LEU A 92 -4.211 17.352 24.621 1.00 4.36 AAAA N ATOM 700 CA LEU A 92 -4.306 18.725 24.220 1.00 4.52 AAAA C ATOM 701 CB LEU A 92 -4.549 18.723 22.759 1.00 4.76 AAAA C ATOM 702 CG LEU A 92 -4.202 19.859 21.867 1.00 5.09 AAAA C ATOM 703 CD1 LEU A 92 -2.694 19.998 21.733 1.00 5.14 AAAA C ATOM 704 CD2 LEU A 92 -4.871 19.360 20.611 1.00 5.17 AAAA C ATOM 705 C LEU A 92 -5.472 19.407 24.902 1.00 4.44 AAAA C ATOM 706 O LEU A 92 -5.391 20.587 25.235 1.00 4.34 AAAA O ATOM 707 N LYS A 93 -6.565 18.683 25.101 1.00 4.51 AAAA N ATOM 708 CA LYS A 93 -7.695 19.244 25.840 1.00 4.70 AAAA C ATOM 709 CB LYS A 93 -8.890 18.294 25.849 1.00 4.53 AAAA C ATOM 710 CG LYS A 93 -9.578 18.184 24.495 1.00 4.48 AAAA C ATOM 711 CD LYS A 93 -10.647 17.113 24.483 1.00 4.43 AAAA C ATOM 712 CE LYS A 93 -11.474 17.178 23.209 1.00 4.46 AAAA C ATOM 713 NZ LYS A 93 -12.426 16.034 23.112 1.00 4.52 AAAA N ATOM 714 C LYS A 93 -7.244 19.606 27.245 1.00 5.02 AAAA C ATOM 715 O LYS A 93 -7.603 20.664 27.762 1.00 5.19 AAAA O ATOM 716 N CYS A 94 -6.422 18.753 27.851 1.00 5.61 AAAA N ATOM 717 CA CYS A 94 -5.930 19.024 29.206 1.00 6.03 AAAA C ATOM 718 CB CYS A 94 -5.252 17.787 29.810 1.00 6.81 AAAA C ATOM 719 SG CYS A 94 -6.317 16.337 29.786 1.00 8.92 AAAA S ATOM 720 C CYS A 94 -4.984 20.217 29.222 1.00 5.52 AAAA C ATOM 721 O CYS A 94 -5.062 21.038 30.128 1.00 5.18 AAAA O ATOM 722 N ALA A 95 -4.120 20.318 28.215 1.00 5.06 AAAA N ATOM 723 CA ALA A 95 -3.165 21.421 28.141 1.00 4.85 AAAA C ATOM 724 CB ALA A 95 -2.241 21.271 26.941 1.00 4.99 AAAA C ATOM 725 C ALA A 95 -3.876 22.744 28.045 1.00 4.70 AAAA C ATOM 726 O ALA A 95 -3.553 23.689 28.756 1.00 4.44 AAAA O ATOM 727 N LYS A 96 -4.822 22.835 27.115 1.00 4.55 AAAA N ATOM 728 CA LYS A 96 -5.500 24.108 26.868 1.00 4.54 AAAA C ATOM 729 CB LYS A 96 -6.272 24.086 25.549 1.00 4.56 AAAA C ATOM 730 CG LYS A 96 -5.398 23.837 24.337 1.00 4.68 AAAA C ATOM 731 CD LYS A 96 -4.021 24.479 24.444 1.00 4.71 AAAA C ATOM 732 CE LYS A 96 -3.003 23.932 23.472 1.00 4.60 AAAA C ATOM 733 NZ LYS A 96 -2.880 22.454 23.552 1.00 4.65 AAAA N ATOM 734 C LYS A 96 -6.409 24.518 27.992 1.00 4.49 AAAA C ATOM 735 O LYS A 96 -6.808 25.665 28.036 1.00 4.41 AAAA O ATOM 736 N LYS A 97 -6.717 23.592 28.898 1.00 4.53 AAAA N ATOM 737 CA LYS A 97 -7.502 23.892 30.077 1.00 4.58 AAAA C ATOM 738 CB LYS A 97 -8.273 22.653 30.491 1.00 4.67 AAAA C ATOM 739 CG LYS A 97 -9.453 22.348 29.590 1.00 4.81 AAAA C ATOM 740 CD LYS A 97 -10.743 22.217 30.406 1.00 4.98 AAAA C ATOM 741 CE LYS A 97 -10.895 23.355 31.415 1.00 5.07 AAAA C ATOM 742 NZ LYS A 97 -12.295 23.633 31.789 1.00 5.18 AAAA N ATOM 743 C LYS A 97 -6.690 24.400 31.256 1.00 4.51 AAAA C ATOM 744 O LYS A 97 -7.261 24.906 32.219 1.00 4.67 AAAA O ATOM 745 N ILE A 98 -5.368 24.295 31.151 1.00 4.49 AAAA N ATOM 746 CA ILE A 98 -4.430 24.492 32.270 1.00 4.38 AAAA C ATOM 747 CB ILE A 98 -3.008 23.971 31.896 1.00 4.37 AAAA C ATOM 748 CG1 ILE A 98 -2.143 23.687 33.147 1.00 4.35 AAAA C ATOM 749 CD1 ILE A 98 -0.917 24.554 33.314 1.00 4.31 AAAA C ATOM 750 CG2 ILE A 98 -2.318 24.898 30.881 1.00 4.43 AAAA C ATOM 751 C ILE A 98 -4.320 25.912 32.835 1.00 4.25 AAAA C ATOM 752 O ILE A 98 -3.829 26.070 33.951 1.00 4.35 AAAA O ATOM 753 N ALA A 99 -4.751 26.926 32.083 1.00 4.08 AAAA N ATOM 754 CA ALA A 99 -4.767 28.331 32.565 1.00 3.92 AAAA C ATOM 755 CB ALA A 99 -3.792 28.525 33.731 1.00 3.97 AAAA C ATOM 756 C ALA A 99 -4.464 29.385 31.483 1.00 3.77 AAAA C ATOM 757 O ALA A 99 -5.036 30.489 31.507 1.00 3.89 AAAA O ATOM 758 N GLY A 100 -3.533 29.049 30.588 1.00 3.62 AAAA N ATOM 759 CA GLY A 100 -3.057 29.952 29.539 1.00 3.44 AAAA C ATOM 760 C GLY A 100 -3.626 29.714 28.154 1.00 3.25 AAAA C ATOM 761 O GLY A 100 -3.187 30.318 27.178 1.00 3.03 AAAA O ATOM 762 N GLU A 101 -4.597 28.817 28.057 1.00 3.15 AAAA N ATOM 763 CA GLU A 101 -5.263 28.556 26.811 1.00 3.13 AAAA C ATOM 764 CB GLU A 101 -5.905 29.832 26.338 1.00 3.37 AAAA C ATOM 765 CG GLU A 101 -7.364 29.705 26.111 1.00 3.50 AAAA C ATOM 766 CD GLU A 101 -7.962 31.070 26.025 1.00 3.58 AAAA C ATOM 767 OE1 GLU A 101 -7.518 31.866 25.144 1.00 4.11 AAAA O ATOM 768 OE2 GLU A 101 -8.785 31.349 26.834 1.00 3.32 AAAA O ATOM 769 C GLU A 101 -4.268 28.044 25.788 1.00 2.91 AAAA C ATOM 770 O GLU A 101 -3.393 27.267 26.139 1.00 2.79 AAAA O ATOM 771 N ALA A 102 -4.381 28.497 24.534 1.00 2.73 AAAA N ATOM 772 CA ALA A 102 -3.473 28.053 23.468 1.00 2.67 AAAA C ATOM 773 CB ALA A 102 -4.124 28.307 22.134 1.00 2.62 AAAA C ATOM 774 C ALA A 102 -2.069 28.659 23.517 1.00 2.66 AAAA C ATOM 775 O ALA A 102 -1.187 28.258 22.745 1.00 2.64 AAAA O ATOM 776 N LYS A 103 -1.838 29.599 24.425 1.00 2.70 AAAA N ATOM 777 CA LYS A 103 -0.496 30.180 24.605 1.00 2.75 AAAA C ATOM 778 CB LYS A 103 -0.515 31.361 25.587 1.00 2.70 AAAA C ATOM 779 CG LYS A 103 -1.517 32.432 25.239 1.00 2.69 AAAA C ATOM 780 CD LYS A 103 -1.016 33.382 24.172 1.00 2.63 AAAA C ATOM 781 CE LYS A 103 -2.111 34.402 23.916 1.00 2.67 AAAA C ATOM 782 NZ LYS A 103 -1.802 35.785 23.479 1.00 2.61 AAAA N ATOM 783 C LYS A 103 0.496 29.139 25.078 1.00 2.87 AAAA C ATOM 784 O LYS A 103 1.709 29.373 24.988 1.00 2.95 AAAA O ATOM 785 N GLY A 104 -0.024 28.014 25.610 1.00 2.99 AAAA N ATOM 786 CA GLY A 104 0.781 26.839 25.899 1.00 3.14 AAAA C ATOM 787 C GLY A 104 1.655 26.478 24.722 1.00 3.25 AAAA C ATOM 788 O GLY A 104 2.812 26.104 24.911 1.00 3.41 AAAA O ATOM 789 N LEU A 105 1.110 26.612 23.508 1.00 3.40 AAAA N ATOM 790 CA LEU A 105 1.880 26.381 22.280 1.00 3.52 AAAA C ATOM 791 CB LEU A 105 1.018 25.744 21.187 1.00 3.61 AAAA C ATOM 792 CG LEU A 105 0.625 24.313 21.621 1.00 3.64 AAAA C ATOM 793 CD1 LEU A 105 -0.844 24.068 21.609 1.00 3.74 AAAA C ATOM 794 CD2 LEU A 105 1.311 23.173 20.902 1.00 3.68 AAAA C ATOM 795 C LEU A 105 2.467 27.720 21.871 1.00 3.55 AAAA C ATOM 796 O LEU A 105 1.787 28.580 21.336 1.00 3.58 AAAA O ATOM 797 N THR A 106 3.738 27.905 22.207 1.00 3.60 AAAA N ATOM 798 CA THR A 106 4.489 29.098 21.816 1.00 3.66 AAAA C ATOM 799 CB THR A 106 5.967 28.925 22.193 1.00 3.73 AAAA C ATOM 800 OG1 THR A 106 6.089 28.967 23.625 1.00 4.04 AAAA O ATOM 801 CG2 THR A 106 6.837 30.011 21.585 1.00 3.76 AAAA C ATOM 802 C THR A 106 4.352 29.462 20.335 1.00 3.61 AAAA C ATOM 803 O THR A 106 4.194 30.630 20.021 1.00 3.60 AAAA O ATOM 804 N PRO A 107 4.403 28.464 19.427 1.00 3.55 AAAA N ATOM 805 CA PRO A 107 4.227 28.813 18.024 1.00 3.50 AAAA C ATOM 806 CB PRO A 107 4.726 27.580 17.278 1.00 3.57 AAAA C ATOM 807 CG PRO A 107 4.511 26.486 18.223 1.00 3.63 AAAA C ATOM 808 CD PRO A 107 4.748 27.048 19.592 1.00 3.68 AAAA C ATOM 809 C PRO A 107 2.793 29.125 17.632 1.00 3.31 AAAA C ATOM 810 O PRO A 107 2.555 29.667 16.548 1.00 3.48 AAAA O ATOM 811 N TRP A 108 1.827 28.772 18.458 1.00 3.11 AAAA N ATOM 812 CA TRP A 108 0.511 29.307 18.265 1.00 2.99 AAAA C ATOM 813 CB TRP A 108 -0.525 28.618 19.148 1.00 2.84 AAAA C ATOM 814 CG TRP A 108 -1.878 29.217 18.958 1.00 2.72 AAAA C ATOM 815 CD1 TRP A 108 -2.768 28.971 17.949 1.00 2.68 AAAA C ATOM 816 NE1 TRP A 108 -3.881 29.769 18.096 1.00 2.65 AAAA N ATOM 817 CE2 TRP A 108 -3.731 30.530 19.221 1.00 2.62 AAAA C ATOM 818 CD2 TRP A 108 -2.474 30.226 19.778 1.00 2.64 AAAA C ATOM 819 CE3 TRP A 108 -2.076 30.879 20.945 1.00 2.61 AAAA C ATOM 820 CZ3 TRP A 108 -2.933 31.807 21.507 1.00 2.59 AAAA C ATOM 821 CH2 TRP A 108 -4.182 32.088 20.932 1.00 2.59 AAAA C ATOM 822 CZ2 TRP A 108 -4.594 31.454 19.793 1.00 2.60 AAAA C ATOM 823 C TRP A 108 0.526 30.786 18.538 1.00 3.05 AAAA C ATOM 824 O TRP A 108 0.048 31.596 17.745 1.00 3.02 AAAA O ATOM 825 N VAL A 109 1.082 31.143 19.680 1.00 3.11 AAAA N ATOM 826 CA VAL A 109 1.047 32.551 20.079 1.00 3.14 AAAA C ATOM 827 CB VAL A 109 1.417 32.796 21.570 1.00 3.21 AAAA C ATOM 828 CG1 VAL A 109 2.690 32.111 22.000 1.00 3.28 AAAA C ATOM 829 CG2 VAL A 109 1.489 34.285 21.859 1.00 3.23 AAAA C ATOM 830 C VAL A 109 1.900 33.346 19.077 1.00 3.10 AAAA C ATOM 831 O VAL A 109 1.511 34.438 18.677 1.00 3.20 AAAA O ATOM 832 N ALA A 110 2.987 32.759 18.582 1.00 3.18 AAAA N ATOM 833 CA ALA A 110 3.858 33.502 17.650 1.00 3.24 AAAA C ATOM 834 CB ALA A 110 5.287 33.013 17.759 1.00 3.25 AAAA C ATOM 835 C ALA A 110 3.437 33.484 16.169 1.00 3.34 AAAA C ATOM 836 O ALA A 110 3.830 34.374 15.430 1.00 3.33 AAAA O ATOM 837 N TRP A 111 2.696 32.477 15.716 1.00 3.44 AAAA N ATOM 838 CA TRP A 111 2.419 32.380 14.301 1.00 3.59 AAAA C ATOM 839 CB TRP A 111 2.981 31.121 13.648 1.00 3.83 AAAA C ATOM 840 CG TRP A 111 4.253 30.465 13.964 1.00 4.17 AAAA C ATOM 841 CD1 TRP A 111 4.676 30.036 15.165 1.00 4.33 AAAA C ATOM 842 NE1 TRP A 111 5.847 29.302 15.031 1.00 4.52 AAAA N ATOM 843 CE2 TRP A 111 6.143 29.191 13.700 1.00 4.39 AAAA C ATOM 844 CD2 TRP A 111 5.154 29.897 13.000 1.00 4.26 AAAA C ATOM 845 CE3 TRP A 111 5.211 29.917 11.607 1.00 4.28 AAAA C ATOM 846 CZ3 TRP A 111 6.242 29.270 10.966 1.00 4.27 AAAA C ATOM 847 CH2 TRP A 111 7.201 28.574 11.688 1.00 4.34 AAAA C ATOM 848 CZ2 TRP A 111 7.189 28.531 13.048 1.00 4.42 AAAA C ATOM 849 C TRP A 111 0.929 32.340 13.958 1.00 3.46 AAAA C ATOM 850 O TRP A 111 0.588 32.495 12.776 1.00 3.50 AAAA O ATOM 851 N LYS A 112 0.062 32.074 14.941 1.00 3.35 AAAA N ATOM 852 CA LYS A 112 -1.383 31.849 14.701 1.00 3.36 AAAA C ATOM 853 CB LYS A 112 -1.776 30.436 15.123 1.00 3.23 AAAA C ATOM 854 CG LYS A 112 -0.853 29.381 14.500 1.00 3.05 AAAA C ATOM 855 CD LYS A 112 -1.006 28.018 15.040 1.00 3.19 AAAA C ATOM 856 CE LYS A 112 -0.138 27.764 16.246 1.00 3.22 AAAA C ATOM 857 NZ LYS A 112 1.187 27.085 16.097 1.00 3.30 AAAA N ATOM 858 C LYS A 112 -2.264 32.849 15.420 1.00 3.52 AAAA C ATOM 859 O LYS A 112 -3.224 33.337 14.850 1.00 3.37 AAAA O ATOM 860 N SER A 113 -1.899 33.199 16.647 1.00 3.71 AAAA N ATOM 861 CA SER A 113 -2.704 34.074 17.476 1.00 3.93 AAAA C ATOM 862 CB SER A 113 -1.982 34.322 18.808 1.00 3.90 AAAA C ATOM 863 OG SER A 113 -2.731 35.119 19.726 1.00 3.98 AAAA O ATOM 864 C SER A 113 -2.997 35.380 16.735 1.00 4.20 AAAA C ATOM 865 O SER A 113 -2.091 36.009 16.173 1.00 4.15 AAAA O ATOM 866 N LYS A 114 -4.279 35.751 16.709 1.00 4.75 AAAA N ATOM 867 CA LYS A 114 -4.770 36.999 16.112 1.00 5.22 AAAA C ATOM 868 CB LYS A 114 -3.995 38.241 16.580 1.00 5.41 AAAA C ATOM 869 CG LYS A 114 -3.894 38.505 18.078 1.00 5.55 AAAA C ATOM 870 CD LYS A 114 -2.854 39.598 18.319 1.00 5.72 AAAA C ATOM 871 CE LYS A 114 -3.183 40.964 17.687 1.00 5.81 AAAA C ATOM 872 NZ LYS A 114 -2.097 41.997 17.883 1.00 5.89 AAAA N ATOM 873 C LYS A 114 -4.812 37.043 14.586 1.00 5.55 AAAA C ATOM 874 O LYS A 114 -5.376 37.971 14.020 1.00 5.54 AAAA O ATOM 875 N CYS A 115 -4.225 36.059 13.916 1.00 5.96 AAAA N ATOM 876 CA CYS A 115 -4.240 36.042 12.462 1.00 6.30 AAAA C ATOM 877 CB CYS A 115 -3.006 35.324 11.959 1.00 6.78 AAAA C ATOM 878 SG CYS A 115 -3.232 33.569 11.896 1.00 8.37 AAAA S ATOM 879 C CYS A 115 -5.533 35.396 11.919 1.00 6.04 AAAA C ATOM 880 O CYS A 115 -6.407 34.978 12.683 1.00 5.84 AAAA O ATOM 881 N ARG A 116 -5.665 35.321 10.601 1.00 5.75 AAAA N ATOM 882 CA ARG A 116 -6.873 34.779 10.006 1.00 5.66 AAAA C ATOM 883 CB ARG A 116 -7.017 35.244 8.569 1.00 5.78 AAAA C ATOM 884 CG ARG A 116 -8.393 34.979 7.986 1.00 5.95 AAAA C ATOM 885 CD ARG A 116 -8.376 35.189 6.480 1.00 6.13 AAAA C ATOM 886 NE ARG A 116 -8.471 36.614 6.142 1.00 6.42 AAAA N ATOM 887 CZ ARG A 116 -7.451 37.437 5.874 1.00 6.46 AAAA C ATOM 888 NH1 ARG A 116 -6.181 37.019 5.862 1.00 6.61 AAAA N ATOM 889 NH2 ARG A 116 -7.713 38.703 5.608 1.00 6.60 AAAA N ATOM 890 C ARG A 116 -6.862 33.252 10.069 1.00 5.43 AAAA C ATOM 891 O ARG A 116 -6.582 32.570 9.076 1.00 5.35 AAAA O ATOM 892 N GLY A 117 -7.180 32.716 11.241 1.00 5.15 AAAA N ATOM 893 CA GLY A 117 -7.154 31.275 11.438 1.00 4.92 AAAA C ATOM 894 C GLY A 117 -8.060 30.508 10.492 1.00 4.80 AAAA C ATOM 895 O GLY A 117 -7.728 29.407 10.067 1.00 4.56 AAAA O ATOM 896 N HIS A 118 -9.223 31.062 10.182 1.00 4.71 AAAA N ATOM 897 CA HIS A 118 -10.178 30.398 9.308 1.00 4.84 AAAA C ATOM 898 CB HIS A 118 -11.417 31.262 9.109 1.00 5.00 AAAA C ATOM 899 CG HIS A 118 -12.341 30.708 8.085 1.00 5.31 AAAA C ATOM 900 ND1 HIS A 118 -12.306 31.102 6.764 1.00 5.39 AAAA N ATOM 901 CE1 HIS A 118 -13.208 30.422 6.083 1.00 5.47 AAAA C ATOM 902 NE2 HIS A 118 -13.803 29.580 6.907 1.00 5.49 AAAA N ATOM 903 CD2 HIS A 118 -13.279 29.737 8.164 1.00 5.43 AAAA C ATOM 904 C HIS A 118 -9.607 30.004 7.937 1.00 4.79 AAAA C ATOM 905 O HIS A 118 -10.097 29.069 7.293 1.00 4.54 AAAA O ATOM 906 N ASP A 119 -8.600 30.745 7.485 1.00 4.87 AAAA N ATOM 907 CA ASP A 119 -7.821 30.397 6.293 1.00 5.08 AAAA C ATOM 908 CB ASP A 119 -6.531 31.243 6.281 1.00 5.22 AAAA C ATOM 909 CG ASP A 119 -5.703 31.079 5.017 1.00 5.48 AAAA C ATOM 910 OD1 ASP A 119 -6.286 30.915 3.931 1.00 5.69 AAAA O ATOM 911 OD2 ASP A 119 -4.443 31.131 5.109 1.00 5.80 AAAA O ATOM 912 C ASP A 119 -7.481 28.898 6.251 1.00 5.06 AAAA C ATOM 913 O ASP A 119 -7.511 28.283 5.188 1.00 4.99 AAAA O ATOM 914 N LEU A 120 -7.180 28.305 7.407 1.00 5.08 AAAA N ATOM 915 CA LEU A 120 -6.688 26.919 7.449 1.00 4.99 AAAA C ATOM 916 CB LEU A 120 -5.903 26.687 8.728 1.00 4.96 AAAA C ATOM 917 CG LEU A 120 -4.664 27.594 8.725 1.00 4.87 AAAA C ATOM 918 CD1 LEU A 120 -4.580 28.354 10.025 1.00 4.96 AAAA C ATOM 919 CD2 LEU A 120 -3.367 26.864 8.358 1.00 4.92 AAAA C ATOM 920 C LEU A 120 -7.739 25.825 7.296 1.00 5.07 AAAA C ATOM 921 O LEU A 120 -7.373 24.677 7.064 1.00 4.80 AAAA O ATOM 922 N SER A 121 -9.021 26.180 7.430 1.00 5.25 AAAA N ATOM 923 CA SER A 121 -10.134 25.265 7.167 1.00 5.63 AAAA C ATOM 924 CB SER A 121 -11.124 25.244 8.341 1.00 5.67 AAAA C ATOM 925 OG SER A 121 -11.672 26.518 8.619 1.00 5.85 AAAA O ATOM 926 C SER A 121 -10.853 25.594 5.845 1.00 5.84 AAAA C ATOM 927 O SER A 121 -11.801 24.885 5.464 1.00 5.80 AAAA O ATOM 928 N LYS A 122 -10.403 26.653 5.153 1.00 6.28 AAAA N ATOM 929 CA LYS A 122 -10.840 26.965 3.768 1.00 6.68 AAAA C ATOM 930 CB LYS A 122 -9.924 28.038 3.142 1.00 6.86 AAAA C ATOM 931 CG LYS A 122 -8.530 27.515 2.770 1.00 7.03 AAAA C ATOM 932 CD LYS A 122 -7.535 28.595 2.360 1.00 7.10 AAAA C ATOM 933 CE LYS A 122 -6.099 28.057 2.294 1.00 7.18 AAAA C ATOM 934 NZ LYS A 122 -5.492 27.604 3.593 1.00 7.37 AAAA N ATOM 935 C LYS A 122 -10.792 25.723 2.879 1.00 6.93 AAAA C ATOM 936 O LYS A 122 -9.869 24.935 2.999 1.00 7.10 AAAA O ATOM 937 N PHE A 123 -11.753 25.554 1.969 1.00 7.33 AAAA N ATOM 938 CA PHE A 123 -11.833 24.344 1.131 1.00 7.65 AAAA C ATOM 939 CB PHE A 123 -10.467 23.652 0.872 1.00 7.84 AAAA C ATOM 940 CG PHE A 123 -9.526 24.399 -0.049 1.00 8.05 AAAA C ATOM 941 CD1 PHE A 123 -9.535 25.792 -0.149 1.00 8.20 AAAA C ATOM 942 CE1 PHE A 123 -8.652 26.449 -0.992 1.00 8.30 AAAA C ATOM 943 CZ PHE A 123 -7.740 25.723 -1.749 1.00 8.32 AAAA C ATOM 944 CE2 PHE A 123 -7.714 24.341 -1.659 1.00 8.24 AAAA C ATOM 945 CD2 PHE A 123 -8.593 23.689 -0.806 1.00 8.18 AAAA C ATOM 946 C PHE A 123 -12.733 23.331 1.823 1.00 7.69 AAAA C ATOM 947 O PHE A 123 -13.377 22.524 1.163 1.00 7.92 AAAA O HETATM 948 OW0 HOH Z 1 -5.635 26.878 20.138 1.00 2.00 Z O HETATM 949 OW0 HOH Z 2 11.037 10.682 32.725 1.00 7.57 Z O HETATM 950 OW0 HOH Z 3 4.385 32.132 10.225 1.00 10.41 Z O HETATM 951 OW0 HOH Z 4 5.267 25.327 22.766 1.00 12.55 Z O HETATM 952 OW0 HOH Z 5 9.676 4.740 30.799 1.00 10.81 Z O HETATM 953 OW0 HOH Z 6 4.686 10.191 9.268 1.00 9.23 Z O HETATM 954 OW0 HOH Z 7 1.941 10.763 31.163 1.00 9.53 Z O HETATM 955 OW0 HOH Z 8 10.421 12.364 14.725 1.00 8.91 Z O HETATM 956 OW0 HOH Z 9 13.061 13.758 26.615 1.00 9.03 Z O HETATM 957 OW0 HOH Z 10 -6.525 27.541 30.047 1.00 11.58 Z O HETATM 958 OW0 HOH Z 11 -7.622 10.158 13.827 1.00 15.65 Z O HETATM 959 OW0 HOH Z 12 12.465 14.765 36.304 1.00 19.65 Z O HETATM 960 OW0 HOH Z 14 6.079 7.772 10.301 1.00 12.79 Z O HETATM 961 OW0 HOH Z 15 7.119 23.199 19.943 1.00 12.81 Z O HETATM 962 OW0 HOH Z 16 13.725 13.725 18.687 0.50 14.52 Z O HETATM 963 OW0 HOH Z 17 8.513 21.456 18.946 1.00 16.34 Z O HETATM 964 OW0 HOH Z 18 0.655 15.546 19.724 1.00 8.02 Z O HETATM 965 OW0 HOH Z 19 -16.551 18.913 2.497 1.00 15.92 Z O HETATM 966 OW0 HOH Z 20 -0.028 38.254 22.455 1.00 13.32 Z O HETATM 967 OW0 HOH Z 21 -10.328 8.318 24.256 1.00 20.57 Z O HETATM 968 OW0 HOH Z 22 6.807 7.192 12.440 1.00 14.23 Z O HETATM 969 OW0 HOH Z 23 1.991 9.150 10.205 1.00 19.00 Z O HETATM 970 OW0 HOH Z 24 -2.796 5.344 23.174 1.00 24.04 Z O HETATM 971 OW0 HOH Z 25 -6.861 38.455 11.327 1.00 28.55 Z O HETATM 972 OW0 HOH Z 27 -4.156 32.911 7.755 1.00 15.46 Z O HETATM 973 OW0 HOH Z 28 -1.519 31.258 31.356 1.00 16.07 Z O HETATM 974 OW0 HOH Z 29 2.033 6.334 31.019 1.00 18.37 Z O HETATM 975 OW0 HOH Z 30 1.248 11.920 10.002 1.00 13.25 Z O HETATM 976 OW0 HOH Z 31 13.143 23.979 26.906 1.00 13.74 Z O HETATM 977 OW0 HOH Z 32 9.250 14.519 33.200 1.00 17.95 Z O HETATM 978 OW0 HOH Z 33 0.744 35.627 15.810 1.00 15.57 Z O HETATM 979 OW0 HOH Z 34 5.690 34.539 19.687 1.00 13.58 Z O HETATM 980 OW0 HOH Z 36 7.295 13.407 31.676 1.00 9.62 Z O HETATM 981 OW0 HOH Z 37 -7.363 35.066 15.256 1.00 14.45 Z O HETATM 982 OW0 HOH Z 38 18.165 18.937 31.720 1.00 20.85 Z O HETATM 983 OW0 HOH Z 40 7.129 23.871 11.755 1.00 13.71 Z O HETATM 984 OW0 HOH Z 41 4.554 36.970 19.583 1.00 17.32 Z O HETATM 985 OW0 HOH Z 42 -1.465 11.431 16.460 1.00 17.14 Z O HETATM 986 OW0 HOH Z 43 -11.453 31.011 18.184 1.00 12.72 Z O HETATM 987 OW0 HOH Z 44 -5.100 11.970 28.518 1.00 13.63 Z O HETATM 988 OW0 HOH Z 45 -9.992 33.855 11.035 1.00 20.19 Z O HETATM 989 OW0 HOH Z 46 -0.808 38.242 19.825 1.00 14.96 Z O HETATM 990 OW0 HOH Z 47 -14.618 20.454 3.408 1.00 26.00 Z O HETATM 991 OW0 HOH Z 48 -1.210 19.533 27.938 1.00 14.53 Z O HETATM 992 OW0 HOH Z 49 2.658 37.542 21.925 1.00 14.28 Z O HETATM 993 OW0 HOH Z 50 0.067 17.995 4.429 1.00 16.15 Z O HETATM 994 OW0 HOH Z 51 -1.271 38.371 15.156 1.00 14.97 Z O HETATM 995 OW0 HOH Z 52 1.514 9.797 5.632 1.00 20.48 Z O HETATM 996 OW0 HOH Z 53 -6.428 31.383 28.907 1.00 17.59 Z O HETATM 997 OW0 HOH Z 54 14.255 6.581 33.597 1.00 16.59 Z O HETATM 998 OW0 HOH Z 55 0.692 13.029 16.461 1.00 15.27 Z O HETATM 999 OW0 HOH Z 56 11.808 11.808 37.373 0.50 18.19 Z O HETATM 1000 OW0 HOH Z 57 -15.187 19.935 17.109 1.00 15.23 Z O HETATM 1001 OW0 HOH Z 58 5.433 24.096 9.029 1.00 19.62 Z O HETATM 1002 OW0 HOH Z 59 -14.801 23.483 25.908 1.00 16.12 Z O HETATM 1003 OW0 HOH Z 60 -9.563 32.957 16.382 1.00 16.31 Z O HETATM 1004 OW0 HOH Z 61 -0.654 19.244 25.744 1.00 11.37 Z O HETATM 1005 OW0 HOH Z 62 19.361 16.635 25.964 1.00 19.29 Z O HETATM 1006 OW0 HOH Z 63 -6.298 33.174 17.085 1.00 14.47 Z O HETATM 1007 OW0 HOH Z 64 -2.846 31.865 9.757 1.00 15.14 Z O HETATM 1008 OW0 HOH Z 65 -4.760 33.100 32.741 1.00 17.92 Z O HETATM 1009 OW0 HOH Z 66 -6.785 30.235 23.683 1.00 13.47 Z O HETATM 1010 OW0 HOH Z 67 8.356 23.117 23.606 1.00 18.73 Z O HETATM 1011 OW0 HOH Z 68 -0.440 35.756 26.354 1.00 17.85 Z O HETATM 1012 OW0 HOH Z 69 8.415 15.404 35.524 1.00 29.00 Z O HETATM 1013 OW0 HOH Z 71 -11.683 24.744 33.952 1.00 20.29 Z O HETATM 1014 OW0 HOH Z 72 -6.896 16.807 3.162 1.00 13.24 Z O HETATM 1015 OW0 HOH Z 73 2.467 22.122 24.604 1.00 25.35 Z O HETATM 1016 OW0 HOH Z 74 9.074 11.936 30.682 1.00 12.36 Z O HETATM 1017 OW0 HOH Z 75 -6.214 8.842 24.734 1.00 18.91 Z O HETATM 1018 OW0 HOH Z 76 -4.817 21.195 32.866 1.00 23.25 Z O HETATM 1019 OW0 HOH Z 77 16.012 23.638 32.483 1.00 21.10 Z O