HEADER ---- 02-DEC-16 xxxx COMPND --- REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0158 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) : 1.55 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 55.66 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 98.77 REMARK 3 NUMBER OF REFLECTIONS : 16368 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) : 0.19277 REMARK 3 R VALUE (WORKING SET) : 0.19040 REMARK 3 FREE R VALUE : 0.23847 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.1 REMARK 3 FREE R VALUE TEST SET COUNT : 873 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH : 1.550 REMARK 3 BIN RESOLUTION RANGE LOW : 1.590 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1195 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.36 REMARK 3 BIN R VALUE (WORKING SET) : 0.250 REMARK 3 BIN FREE R VALUE SET COUNT : 55 REMARK 3 BIN FREE R VALUE : 0.312 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 ALL ATOMS : 1146 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 12.398 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.01 REMARK 3 B22 (A**2) : -0.01 REMARK 3 B33 (A**2) : 0.01 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): 0.094 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.100 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.068 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.856 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.947 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.917 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 808 ; 0.020 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 661 ; 0.005 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1075 ; 1.914 ; 1.909 REMARK 3 BOND ANGLES OTHERS (DEGREES): 1482 ; 1.235 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 112 ; 7.052 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 26 ;29.750 ;25.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 100 ;13.177 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 118 ; 0.148 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 932 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 166 ; 0.002 ; 0.020 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 461 ; 1.098 ; 1.120 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 462 ; 1.097 ; 1.122 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 566 ; 1.525 ; 1.667 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2) : 566 ; 1.524 ; 1.667 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 347 ; 1.768 ; 1.198 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2) : 348 ; 1.766 ; 1.204 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2) : 510 ; 2.207 ; 1.717 REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 1033 ; 3.991 ;14.204 REMARK 3 LONG RANGE B OTHER ATOMS (A**2) : 1021 ; 3.840 ;14.215 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 : NULL 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 : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS REMARK 3 U VALUES : REFINED INDIVIDUALLY REMARK 3 SSBOND 1 CYS A 30 CYS A 115 SSBOND 2 CYS A 64 CYS A 80 SSBOND 3 CYS A 76 CYS A 94 CRYST1 78.715 78.715 37.084 90.00 90.00 90.00 P 43 21 2 SCALE1 0.012704 0.000000 0.000000 0.00000 SCALE2 -0.000000 0.012704 0.000000 0.00000 SCALE3 0.000000 -0.000000 0.026966 0.00000 ATOM 1 N LYS A 1 10.300 -3.089 -18.019 1.00 11.80 N ATOM 2 CA LYS A 1 10.689 -2.118 -19.073 1.00 12.28 C ATOM 3 CB LYS A 1 10.310 -0.717 -18.583 1.00 13.27 C ATOM 4 CG LYS A 1 10.692 0.370 -19.540 1.00 14.24 C ATOM 5 CD LYS A 1 10.048 1.684 -19.194 1.00 14.17 C ATOM 6 CE LYS A 1 10.801 2.837 -19.876 1.00 15.93 C ATOM 7 NZ LYS A 1 10.099 4.078 -19.505 1.00 20.68 N ATOM 8 C LYS A 1 12.195 -2.209 -19.245 1.00 11.23 C ATOM 9 O LYS A 1 12.921 -2.220 -18.208 1.00 11.42 O ATOM 10 N ILE A 2 12.650 -2.264 -20.478 1.00 11.31 N ATOM 11 CA ILE A 2 14.032 -2.191 -20.813 1.00 10.87 C ATOM 12 CB ILE A 2 14.426 -3.260 -21.862 1.00 10.90 C ATOM 13 CG1 ILE A 2 14.194 -4.669 -21.304 1.00 11.32 C ATOM 14 CG2 ILE A 2 15.863 -3.124 -22.257 1.00 11.23 C ATOM 15 C ILE A 2 14.329 -0.781 -21.276 1.00 10.59 C ATOM 16 O ILE A 2 13.915 -0.380 -22.345 1.00 12.24 O ATOM 17 N LEU A 3 15.009 0.009 -20.433 1.00 9.89 N ATOM 18 CA LEU A 3 15.360 1.374 -20.853 1.00 9.42 C ATOM 19 CB LEU A 3 15.892 2.148 -19.661 1.00 9.68 C ATOM 20 CG LEU A 3 15.060 2.763 -18.579 1.00 10.70 C ATOM 21 CD1 LEU A 3 14.468 4.104 -18.887 1.00 10.47 C ATOM 22 CD2 LEU A 3 14.212 1.883 -17.746 1.00 9.85 C ATOM 23 C LEU A 3 16.451 1.453 -21.865 1.00 9.85 C ATOM 24 O LEU A 3 17.325 0.620 -21.929 1.00 9.63 O ATOM 25 N LYS A 4 16.452 2.524 -22.675 1.00 10.10 N ATOM 26 CA LYS A 4 17.654 2.891 -23.405 1.00 10.92 C ATOM 27 C LYS A 4 18.575 3.667 -22.464 1.00 9.87 C ATOM 28 O LYS A 4 18.153 4.128 -21.410 1.00 11.27 O ATOM 29 N LYS A 5 19.823 3.819 -22.877 1.00 11.21 N ATOM 30 CA LYS A 5 20.862 4.426 -22.077 1.00 11.11 C ATOM 31 CB LYS A 5 22.160 4.340 -22.861 1.00 12.68 C ATOM 32 CG LYS A 5 23.357 4.836 -22.160 1.00 12.60 C ATOM 33 CD LYS A 5 24.572 4.766 -23.068 1.00 12.04 C ATOM 34 NZ LYS A 5 25.085 7.488 -24.002 1.00 10.97 N ATOM 35 C LYS A 5 20.501 5.876 -21.723 1.00 10.95 C ATOM 36 O LYS A 5 20.498 6.281 -20.531 1.00 9.92 O ATOM 37 N GLN A 6 20.230 6.673 -22.767 1.00 11.46 N ATOM 38 CA GLN A 6 19.907 8.086 -22.551 1.00 11.64 C ATOM 39 CB GLN A 6 19.994 8.930 -23.853 1.00 10.64 C ATOM 40 NE2 GLN A 6 18.858 14.433 -22.826 1.00 24.79 N ATOM 41 C GLN A 6 18.544 8.228 -21.909 1.00 11.09 C ATOM 42 O GLN A 6 18.360 9.095 -21.109 1.00 11.96 O ATOM 43 N GLU A 7 17.601 7.351 -22.238 1.00 10.82 N ATOM 44 CA GLU A 7 16.296 7.357 -21.575 1.00 10.74 C ATOM 45 CB GLU A 7 15.383 6.317 -22.172 1.00 11.04 C ATOM 46 CG GLU A 7 13.967 6.332 -21.670 1.00 12.88 C ATOM 47 CD GLU A 7 13.192 5.078 -22.074 1.00 13.80 C ATOM 48 OE1 GLU A 7 11.935 5.142 -21.928 1.00 13.92 O ATOM 49 OE2 GLU A 7 13.811 4.052 -22.540 1.00 15.18 O ATOM 50 C GLU A 7 16.419 7.116 -20.090 1.00 10.43 C ATOM 51 O GLU A 7 15.745 7.800 -19.318 1.00 10.17 O ATOM 52 N LEU A 8 17.301 6.188 -19.688 1.00 10.27 N ATOM 53 CA LEU A 8 17.519 5.977 -18.261 1.00 10.17 C ATOM 54 CB LEU A 8 18.301 4.696 -17.988 1.00 10.27 C ATOM 55 CG LEU A 8 18.435 4.302 -16.522 1.00 10.36 C ATOM 56 CD1 LEU A 8 17.122 4.207 -15.769 1.00 9.88 C ATOM 57 CD2 LEU A 8 19.157 2.977 -16.449 1.00 10.89 C ATOM 58 C LEU A 8 18.226 7.116 -17.610 1.00 10.12 C ATOM 59 O LEU A 8 17.895 7.486 -16.482 1.00 10.20 O ATOM 60 N CYS A 9 19.213 7.679 -18.302 1.00 9.47 N ATOM 61 CA CYS A 9 19.901 8.856 -17.754 1.00 10.11 C ATOM 62 CB CYS A 9 20.955 9.373 -18.717 1.00 9.46 C ATOM 63 C CYS A 9 18.926 9.964 -17.445 1.00 10.31 C ATOM 64 O CYS A 9 18.915 10.537 -16.365 1.00 9.03 O ATOM 65 N LYS A 10 17.991 10.192 -18.355 1.00 12.27 N ATOM 66 CA LYS A 10 17.033 11.282 -18.163 1.00 11.66 C ATOM 67 CB LYS A 10 16.216 11.464 -19.448 1.00 11.22 C ATOM 68 CE LYS A 10 16.261 14.786 -21.725 1.00 11.65 C ATOM 69 C LYS A 10 16.111 11.003 -16.972 1.00 11.73 C ATOM 70 O LYS A 10 15.749 11.857 -16.219 1.00 12.06 O ATOM 71 N ASN A 11 15.649 9.770 -16.883 1.00 10.91 N ATOM 72 CA ASN A 11 14.797 9.342 -15.792 1.00 10.34 C ATOM 73 CB ASN A 11 14.245 7.921 -15.958 1.00 10.81 C ATOM 74 C ASN A 11 15.509 9.463 -14.459 1.00 11.10 C ATOM 75 O ASN A 11 14.941 9.954 -13.502 1.00 10.27 O ATOM 76 N LEU A 12 16.761 9.055 -14.424 1.00 10.75 N ATOM 77 CA LEU A 12 17.567 9.175 -13.202 1.00 11.39 C ATOM 78 CB LEU A 12 18.908 8.502 -13.374 1.00 11.11 C ATOM 79 CD1 LEU A 12 20.337 6.194 -13.655 1.00 1.00 C ATOM 80 C LEU A 12 17.742 10.645 -12.774 1.00 11.40 C ATOM 81 O LEU A 12 17.570 10.989 -11.587 1.00 11.42 O ATOM 82 N VAL A 13 18.001 11.507 -13.745 1.00 11.95 N ATOM 83 CA VAL A 13 18.105 12.942 -13.486 1.00 12.22 C ATOM 84 CB VAL A 13 18.614 13.668 -14.739 1.00 12.76 C ATOM 85 CG1 VAL A 13 18.533 15.177 -14.553 1.00 12.55 C ATOM 86 C VAL A 13 16.765 13.538 -13.058 1.00 13.09 C ATOM 87 O VAL A 13 16.743 14.316 -12.097 1.00 13.23 O ATOM 88 N ALA A 14 15.659 13.123 -13.685 1.00 14.18 N ATOM 89 CA ALA A 14 14.325 13.588 -13.301 1.00 14.67 C ATOM 90 CB ALA A 14 13.280 12.932 -14.222 1.00 16.69 C ATOM 91 C ALA A 14 14.036 13.290 -11.826 1.00 16.50 C ATOM 92 O ALA A 14 13.335 14.043 -11.169 1.00 19.21 O ATOM 93 N GLN A 15 14.542 12.148 -11.326 1.00 14.63 N ATOM 94 CA GLN A 15 14.356 11.717 -9.947 1.00 14.93 C ATOM 95 CB GLN A 15 14.114 10.201 -9.910 1.00 16.24 C ATOM 96 CG GLN A 15 13.072 9.673 -10.885 1.00 17.61 C ATOM 97 CD GLN A 15 11.668 9.701 -10.430 1.00 19.32 C ATOM 98 OE1 GLN A 15 11.366 10.066 -9.299 1.00 26.74 O ATOM 99 NE2 GLN A 15 10.769 9.350 -11.354 1.00 16.01 N ATOM 100 C GLN A 15 15.523 12.115 -9.028 1.00 14.90 C ATOM 101 O GLN A 15 15.644 11.625 -7.916 1.00 17.97 O ATOM 102 N GLY A 16 16.335 13.053 -9.438 1.00 15.96 N ATOM 103 CA GLY A 16 17.393 13.632 -8.572 1.00 16.36 C ATOM 104 C GLY A 16 18.629 12.794 -8.254 1.00 15.18 C ATOM 105 O GLY A 16 19.342 13.039 -7.280 1.00 15.16 O ATOM 106 N MET A 17 18.908 11.802 -9.086 1.00 14.54 N ATOM 107 CA MET A 17 20.111 10.977 -8.891 1.00 15.11 C ATOM 108 CB MET A 17 19.909 9.622 -9.588 1.00 17.44 C ATOM 109 CG MET A 17 20.654 8.480 -8.962 1.00 22.44 C ATOM 110 SD MET A 17 20.192 8.219 -7.252 1.00 30.80 S ATOM 111 C MET A 17 21.384 11.582 -9.403 1.00 15.62 C ATOM 112 O MET A 17 22.477 11.218 -8.932 1.00 15.13 O ATOM 113 N ASN A 18 21.264 12.505 -10.367 1.00 15.49 N ATOM 114 CA ASN A 18 22.385 13.217 -10.961 1.00 15.55 C ATOM 115 CB ASN A 18 21.820 14.295 -11.934 1.00 17.54 C ATOM 116 OD1 ASN A 18 24.161 15.069 -12.726 1.00 30.72 O ATOM 117 C ASN A 18 23.252 13.896 -9.907 1.00 14.56 C ATOM 118 O ASN A 18 22.798 14.827 -9.258 1.00 16.62 O ATOM 119 N GLY A 19 24.491 13.425 -9.695 1.00 12.12 N ATOM 120 CA GLY A 19 25.340 13.949 -8.635 1.00 12.37 C ATOM 121 C GLY A 19 24.938 13.707 -7.199 1.00 11.76 C ATOM 122 O GLY A 19 25.467 14.345 -6.275 1.00 11.83 O ATOM 123 N TYR A 20 24.000 12.781 -7.001 1.00 11.77 N ATOM 124 CA TYR A 20 23.589 12.426 -5.642 1.00 10.42 C ATOM 125 CB TYR A 20 22.406 11.473 -5.641 1.00 11.65 C ATOM 126 CG TYR A 20 21.822 11.293 -4.256 1.00 12.44 C ATOM 127 CD1 TYR A 20 20.854 12.166 -3.780 1.00 11.83 C ATOM 128 CE1 TYR A 20 20.298 12.043 -2.535 1.00 12.61 C ATOM 129 CZ TYR A 20 20.737 11.035 -1.697 1.00 12.66 C ATOM 130 OH TYR A 20 20.145 10.847 -0.466 1.00 14.51 O ATOM 131 CE2 TYR A 20 21.704 10.174 -2.140 1.00 12.10 C ATOM 132 CD2 TYR A 20 22.227 10.291 -3.427 1.00 12.04 C ATOM 133 C TYR A 20 24.755 11.779 -4.919 1.00 10.66 C ATOM 134 O TYR A 20 25.370 10.839 -5.427 1.00 10.76 O ATOM 135 N GLN A 21 25.041 12.264 -3.715 1.00 10.56 N ATOM 136 CA GLN A 21 26.216 11.838 -2.946 1.00 10.46 C ATOM 137 CB GLN A 21 26.034 10.458 -2.305 1.00 11.92 C ATOM 138 CG GLN A 21 25.154 10.431 -1.064 1.00 13.65 C ATOM 139 C GLN A 21 27.528 11.943 -3.736 1.00 10.14 C ATOM 140 O GLN A 21 28.498 11.229 -3.439 1.00 10.98 O ATOM 141 N HIS A 22 27.572 12.896 -4.662 1.00 9.71 N ATOM 142 CA HIS A 22 28.719 13.146 -5.482 1.00 9.52 C ATOM 143 NE2 HIS A 22 28.620 15.647 -2.454 1.00 30.37 N ATOM 144 CD2 HIS A 22 29.865 15.091 -2.407 1.00 23.23 C ATOM 145 C HIS A 22 28.953 12.223 -6.662 1.00 10.41 C ATOM 146 O HIS A 22 30.017 12.296 -7.339 1.00 9.32 O ATOM 147 N ILE A 23 27.985 11.348 -6.911 1.00 9.44 N ATOM 148 CA ILE A 23 28.126 10.406 -7.992 1.00 8.92 C ATOM 149 CB ILE A 23 27.548 9.041 -7.616 1.00 8.34 C ATOM 150 CG1 ILE A 23 28.482 8.374 -6.663 1.00 8.08 C ATOM 151 CD1 ILE A 23 28.175 8.587 -5.216 1.00 8.12 C ATOM 152 C ILE A 23 27.441 10.895 -9.225 1.00 9.72 C ATOM 153 O ILE A 23 26.189 11.066 -9.257 1.00 9.88 O ATOM 154 N THR A 24 28.247 11.154 -10.252 1.00 9.98 N ATOM 155 CA THR A 24 27.697 11.669 -11.508 1.00 10.45 C ATOM 156 CB THR A 24 28.768 12.013 -12.494 1.00 12.04 C ATOM 157 OG1 THR A 24 29.470 10.821 -12.818 1.00 14.76 O ATOM 158 C THR A 24 26.763 10.694 -12.174 1.00 10.80 C ATOM 159 O THR A 24 26.796 9.451 -11.902 1.00 12.31 O ATOM 160 N LEU A 25 25.921 11.230 -13.067 1.00 12.33 N ATOM 161 CA LEU A 25 24.923 10.419 -13.726 1.00 10.83 C ATOM 162 CB LEU A 25 24.074 11.204 -14.678 1.00 12.49 C ATOM 163 CD1 LEU A 25 22.109 12.747 -15.777 1.00 17.91 C ATOM 164 CD2 LEU A 25 21.554 10.830 -13.468 1.00 23.44 C ATOM 165 C LEU A 25 25.518 9.214 -14.501 1.00 10.63 C ATOM 166 O LEU A 25 24.916 8.139 -14.538 1.00 10.51 O ATOM 167 N PRO A 26 26.671 9.411 -15.149 1.00 9.80 N ATOM 168 CA PRO A 26 27.246 8.194 -15.790 1.00 9.29 C ATOM 169 CG PRO A 26 29.417 10.981 -15.789 1.00 2.62 C ATOM 170 C PRO A 26 27.577 7.042 -14.815 1.00 8.43 C ATOM 171 O PRO A 26 27.533 5.870 -15.207 1.00 8.24 O ATOM 172 N ASN A 27 27.939 7.338 -13.570 1.00 8.32 N ATOM 173 CA ASN A 27 28.130 6.295 -12.589 1.00 8.09 C ATOM 174 CB ASN A 27 28.610 6.815 -11.248 1.00 8.21 C ATOM 175 CG ASN A 27 30.101 7.108 -11.251 1.00 8.21 C ATOM 176 OD1 ASN A 27 30.927 6.190 -11.192 1.00 9.17 O ATOM 177 ND2 ASN A 27 30.446 8.387 -11.393 1.00 8.49 N ATOM 178 C ASN A 27 26.854 5.471 -12.332 1.00 7.42 C ATOM 179 O ASN A 27 26.904 4.248 -12.256 1.00 7.30 O ATOM 180 N TRP A 28 25.713 6.149 -12.247 1.00 7.73 N ATOM 181 CA TRP A 28 24.403 5.509 -12.051 1.00 7.88 C ATOM 182 CB TRP A 28 23.409 6.545 -11.636 1.00 7.51 C ATOM 183 CG TRP A 28 23.698 7.167 -10.297 1.00 7.69 C ATOM 184 CD1 TRP A 28 24.165 8.447 -10.056 1.00 7.96 C ATOM 185 NE1 TRP A 28 24.315 8.651 -8.695 1.00 8.31 N ATOM 186 CE2 TRP A 28 23.972 7.517 -8.029 1.00 7.85 C ATOM 187 CD2 TRP A 28 23.576 6.551 -9.009 1.00 7.95 C ATOM 188 CE3 TRP A 28 23.146 5.286 -8.566 1.00 8.59 C ATOM 189 CZ3 TRP A 28 23.098 5.048 -7.217 1.00 8.86 C ATOM 190 CH2 TRP A 28 23.504 6.020 -6.272 1.00 8.24 C ATOM 191 CZ2 TRP A 28 23.903 7.254 -6.655 1.00 8.10 C ATOM 192 C TRP A 28 23.967 4.719 -13.253 1.00 7.55 C ATOM 193 O TRP A 28 23.473 3.612 -13.110 1.00 7.37 O ATOM 194 N VAL A 29 24.186 5.277 -14.435 1.00 7.59 N ATOM 195 CA VAL A 29 23.834 4.566 -15.695 1.00 8.18 C ATOM 196 CB VAL A 29 23.909 5.537 -16.917 1.00 8.78 C ATOM 197 CG1 VAL A 29 23.744 4.775 -18.208 1.00 9.21 C ATOM 198 CG2 VAL A 29 22.843 6.644 -16.689 1.00 9.38 C ATOM 199 C VAL A 29 24.708 3.317 -15.823 1.00 8.31 C ATOM 200 O VAL A 29 24.240 2.279 -16.160 1.00 8.03 O ATOM 201 N CYS A 30 26.018 3.451 -15.587 1.00 8.25 N ATOM 202 CA CYS A 30 26.930 2.344 -15.639 1.00 8.03 C ATOM 203 CB CYS A 30 28.380 2.830 -15.390 1.00 8.68 C ATOM 204 SG CYS A 30 29.632 1.565 -15.593 1.00 9.65 S ATOM 205 C CYS A 30 26.544 1.250 -14.691 1.00 7.87 C ATOM 206 O CYS A 30 26.518 0.099 -15.066 1.00 7.39 O ATOM 207 N THR A 31 26.170 1.616 -13.470 1.00 7.74 N ATOM 208 CA THR A 31 25.784 0.609 -12.466 1.00 7.98 C ATOM 209 CB THR A 31 25.535 1.328 -11.117 1.00 7.74 C ATOM 210 C THR A 31 24.549 -0.114 -12.927 1.00 8.36 C ATOM 211 O THR A 31 24.482 -1.361 -12.904 1.00 8.35 O ATOM 212 N ALA A 32 23.569 0.610 -13.424 1.00 7.77 N ATOM 213 CA ALA A 32 22.370 -0.024 -13.930 1.00 7.59 C ATOM 214 CB ALA A 32 21.364 1.018 -14.312 1.00 7.15 C ATOM 215 C ALA A 32 22.618 -0.953 -15.130 1.00 7.44 C ATOM 216 O ALA A 32 22.043 -2.035 -15.270 1.00 7.65 O ATOM 217 N PHE A 33 23.531 -0.517 -16.017 1.00 7.81 N ATOM 218 CA PHE A 33 23.921 -1.361 -17.132 1.00 8.69 C ATOM 219 CB PHE A 33 25.005 -0.714 -17.981 1.00 9.02 C ATOM 220 CG PHE A 33 25.522 -1.602 -19.068 1.00 9.93 C ATOM 221 CD1 PHE A 33 24.758 -1.901 -20.184 1.00 12.51 C ATOM 222 CE1 PHE A 33 25.298 -2.757 -21.128 1.00 15.18 C ATOM 223 C PHE A 33 24.396 -2.725 -16.677 1.00 8.51 C ATOM 224 O PHE A 33 23.895 -3.743 -17.167 1.00 9.29 O ATOM 225 N HIS A 34 25.297 -2.734 -15.707 1.00 9.08 N ATOM 226 CA HIS A 34 25.921 -3.998 -15.356 1.00 9.05 C ATOM 227 CB HIS A 34 27.429 -3.825 -15.054 1.00 9.75 C ATOM 228 CG HIS A 34 28.230 -3.390 -16.262 1.00 11.58 C ATOM 229 ND1 HIS A 34 28.943 -2.198 -16.293 1.00 13.33 N ATOM 230 CE1 HIS A 34 29.586 -2.075 -17.443 1.00 14.56 C ATOM 231 NE2 HIS A 34 29.259 -3.111 -18.207 1.00 15.19 N ATOM 232 CD2 HIS A 34 28.385 -3.943 -17.493 1.00 13.40 C ATOM 233 C HIS A 34 25.144 -4.772 -14.302 1.00 9.66 C ATOM 234 O HIS A 34 25.329 -6.004 -14.152 1.00 11.52 O ATOM 235 N GLU A 35 24.280 -4.100 -13.549 1.00 8.65 N ATOM 236 CA GLU A 35 23.421 -4.806 -12.646 1.00 8.41 C ATOM 237 CB GLU A 35 22.916 -3.825 -11.595 1.00 8.64 C ATOM 238 CG GLU A 35 23.939 -3.336 -10.574 1.00 8.33 C ATOM 239 CD GLU A 35 24.503 -4.438 -9.677 1.00 9.20 C ATOM 240 OE1 GLU A 35 24.048 -5.581 -9.731 1.00 9.78 O ATOM 241 OE2 GLU A 35 25.524 -4.126 -8.970 1.00 10.47 O ATOM 242 C GLU A 35 22.221 -5.464 -13.314 1.00 8.56 C ATOM 243 O GLU A 35 21.878 -6.595 -13.016 1.00 8.71 O ATOM 244 N SER A 36 21.574 -4.755 -14.258 1.00 8.43 N ATOM 245 CA SER A 36 20.302 -5.211 -14.783 1.00 9.26 C ATOM 246 CB SER A 36 19.230 -4.321 -14.191 1.00 9.37 C ATOM 247 OG SER A 36 19.302 -3.016 -14.782 1.00 8.23 O ATOM 248 C SER A 36 20.176 -5.147 -16.319 1.00 10.27 C ATOM 249 O SER A 36 19.124 -5.532 -16.857 1.00 10.12 O ATOM 250 N SER A 37 21.229 -4.685 -17.016 1.00 9.63 N ATOM 251 CA SER A 37 21.189 -4.406 -18.460 1.00 9.56 C ATOM 252 CB SER A 37 21.212 -5.646 -19.375 1.00 10.13 C ATOM 253 C SER A 37 19.965 -3.528 -18.770 1.00 8.95 C ATOM 254 O SER A 37 19.314 -3.714 -19.777 1.00 9.69 O ATOM 255 N TYR A 38 19.646 -2.642 -17.826 1.00 8.36 N ATOM 256 CA TYR A 38 18.600 -1.606 -17.943 1.00 8.28 C ATOM 257 CB TYR A 38 18.800 -0.779 -19.264 1.00 8.48 C ATOM 258 CG TYR A 38 20.129 -0.054 -19.416 1.00 9.22 C ATOM 259 CD1 TYR A 38 20.799 0.511 -18.329 1.00 8.80 C ATOM 260 CE1 TYR A 38 21.988 1.201 -18.479 1.00 9.22 C ATOM 261 CZ TYR A 38 22.505 1.424 -19.749 1.00 9.06 C ATOM 262 CE2 TYR A 38 21.854 0.841 -20.810 1.00 9.63 C ATOM 263 CD2 TYR A 38 20.656 0.168 -20.662 1.00 9.92 C ATOM 264 C TYR A 38 17.174 -2.156 -17.862 1.00 8.48 C ATOM 265 O TYR A 38 16.200 -1.482 -18.254 1.00 8.48 O ATOM 266 N ASN A 39 17.066 -3.405 -17.379 1.00 7.37 N ATOM 267 CA ASN A 39 15.762 -4.062 -17.303 1.00 7.91 C ATOM 268 CB ASN A 39 15.929 -5.530 -17.645 1.00 8.16 C ATOM 269 CG ASN A 39 14.611 -6.271 -17.787 1.00 8.64 C ATOM 270 OD1 ASN A 39 13.536 -5.823 -17.362 1.00 8.39 O ATOM 271 ND2 ASN A 39 14.681 -7.435 -18.435 1.00 10.11 N ATOM 272 C ASN A 39 15.161 -3.852 -15.898 1.00 7.41 C ATOM 273 O ASN A 39 15.655 -4.424 -14.944 1.00 8.04 O ATOM 274 N THR A 40 14.029 -3.177 -15.799 1.00 7.80 N ATOM 275 CA THR A 40 13.397 -2.897 -14.524 1.00 8.28 C ATOM 276 CB THR A 40 12.200 -1.964 -14.607 1.00 9.11 C ATOM 277 OG1 THR A 40 11.178 -2.560 -15.439 1.00 9.96 O ATOM 278 CG2 THR A 40 12.671 -0.610 -15.162 1.00 8.72 C ATOM 279 C THR A 40 12.906 -4.210 -13.853 1.00 7.90 C ATOM 280 O THR A 40 12.746 -4.220 -12.658 1.00 8.72 O ATOM 281 N ARG A 41 12.708 -5.274 -14.652 1.00 7.79 N ATOM 282 CA ARG A 41 12.112 -6.516 -14.117 1.00 8.50 C ATOM 283 CB ARG A 41 11.194 -7.175 -15.166 1.00 8.98 C ATOM 284 CG ARG A 41 9.992 -6.293 -15.475 1.00 8.31 C ATOM 285 CD ARG A 41 8.818 -6.961 -16.175 1.00 9.58 C ATOM 286 NH1 ARG A 41 7.392 -3.044 -17.278 1.00 19.72 N ATOM 287 NH2 ARG A 41 7.137 -3.825 -14.290 1.00 22.64 N ATOM 288 C ARG A 41 13.168 -7.533 -13.665 1.00 8.35 C ATOM 289 O ARG A 41 12.762 -8.628 -13.203 1.00 9.75 O ATOM 290 N ALA A 42 14.460 -7.204 -13.738 1.00 8.12 N ATOM 291 CA ALA A 42 15.540 -8.202 -13.459 1.00 8.41 C ATOM 292 CB ALA A 42 16.891 -7.583 -13.689 1.00 8.87 C ATOM 293 C ALA A 42 15.444 -8.642 -11.995 1.00 8.67 C ATOM 294 O ALA A 42 15.325 -7.816 -11.099 1.00 7.42 O ATOM 295 N THR A 43 15.470 -9.940 -11.761 1.00 8.68 N ATOM 296 CA THR A 43 15.611 -10.491 -10.423 1.00 9.84 C ATOM 297 CB THR A 43 14.322 -11.150 -9.892 1.00 10.29 C ATOM 298 OG1 THR A 43 13.913 -12.238 -10.737 1.00 11.67 O ATOM 299 CG2 THR A 43 13.212 -10.216 -9.814 1.00 10.26 C ATOM 300 C THR A 43 16.720 -11.519 -10.439 1.00 10.03 C ATOM 301 O THR A 43 16.887 -12.244 -11.422 1.00 11.14 O ATOM 302 N ASN A 44 17.472 -11.645 -9.338 1.00 10.07 N ATOM 303 CA ASN A 44 18.578 -12.617 -9.271 1.00 10.99 C ATOM 304 CB ASN A 44 19.919 -12.006 -9.689 1.00 10.92 C ATOM 305 OD1 ASN A 44 22.680 -13.936 -8.628 1.00 36.24 O ATOM 306 ND2 ASN A 44 22.746 -11.524 -7.547 1.00 12.45 N ATOM 307 C ASN A 44 18.687 -13.100 -7.850 1.00 10.08 C ATOM 308 O ASN A 44 18.854 -12.297 -6.954 1.00 9.75 O ATOM 309 N HIS A 45 18.624 -14.411 -7.667 1.00 11.20 N ATOM 310 CA HIS A 45 18.818 -15.026 -6.334 1.00 12.13 C ATOM 311 CB HIS A 45 18.216 -16.438 -6.323 1.00 12.74 C ATOM 312 CG HIS A 45 17.707 -16.899 -4.972 1.00 16.17 C ATOM 313 ND1 HIS A 45 16.445 -16.537 -4.516 1.00 18.74 N ATOM 314 CE1 HIS A 45 16.217 -17.094 -3.327 1.00 20.07 C ATOM 315 C HIS A 45 20.287 -15.100 -5.976 1.00 13.57 C ATOM 316 O HIS A 45 21.129 -15.532 -6.804 1.00 13.76 O ATOM 317 N ASN A 46 20.569 -14.768 -4.720 1.00 12.99 N ATOM 318 CA ASN A 46 21.874 -14.908 -4.158 1.00 14.19 C ATOM 319 CB ASN A 46 22.102 -13.772 -3.183 1.00 13.12 C ATOM 320 CG ASN A 46 21.955 -12.390 -3.850 1.00 13.68 C ATOM 321 OD1 ASN A 46 22.547 -12.196 -4.946 1.00 15.49 O ATOM 322 ND2 ASN A 46 21.214 -11.443 -3.235 1.00 14.98 N ATOM 323 C ASN A 46 21.979 -16.250 -3.480 1.00 15.37 C ATOM 324 O ASN A 46 20.991 -16.802 -3.056 1.00 15.69 O ATOM 325 N THR A 47 23.209 -16.762 -3.383 1.00 18.71 N ATOM 326 CA THR A 47 23.543 -18.029 -2.725 1.00 20.26 C ATOM 327 CB THR A 47 25.106 -18.164 -2.579 1.00 22.10 C ATOM 328 OG1 THR A 47 25.651 -17.025 -1.915 1.00 27.88 O ATOM 329 CG2 THR A 47 25.737 -18.253 -3.876 1.00 22.21 C ATOM 330 C THR A 47 22.924 -18.173 -1.315 1.00 20.10 C ATOM 331 O THR A 47 22.487 -19.273 -0.902 1.00 20.16 O ATOM 332 N ASP A 48 22.898 -17.067 -0.589 1.00 17.34 N ATOM 333 CA ASP A 48 22.374 -17.034 0.770 1.00 19.40 C ATOM 334 CB ASP A 48 22.995 -15.869 1.534 1.00 18.21 C ATOM 335 CG ASP A 48 22.480 -14.484 1.106 1.00 21.29 C ATOM 336 OD1 ASP A 48 21.552 -14.343 0.288 1.00 18.99 O ATOM 337 OD2 ASP A 48 22.965 -13.479 1.627 1.00 23.31 O ATOM 338 C ASP A 48 20.860 -17.050 0.915 1.00 18.78 C ATOM 339 O ASP A 48 20.344 -17.122 2.039 1.00 18.13 O ATOM 340 N GLY A 49 20.143 -16.987 -0.204 1.00 17.44 N ATOM 341 CA GLY A 49 18.675 -17.035 -0.206 1.00 15.10 C ATOM 342 C GLY A 49 18.044 -15.653 -0.302 1.00 13.43 C ATOM 343 O GLY A 49 16.837 -15.587 -0.488 1.00 13.79 O ATOM 344 N SER A 50 18.810 -14.553 -0.167 1.00 11.56 N ATOM 345 CA SER A 50 18.305 -13.235 -0.530 1.00 10.94 C ATOM 346 CB SER A 50 19.175 -12.126 0.016 1.00 11.71 C ATOM 347 OG SER A 50 20.425 -12.156 -0.643 1.00 12.19 O ATOM 348 C SER A 50 18.146 -13.139 -2.070 1.00 10.30 C ATOM 349 O SER A 50 18.593 -14.017 -2.787 1.00 11.73 O ATOM 350 N THR A 51 17.454 -12.114 -2.533 1.00 9.25 N ATOM 351 CA THR A 51 17.270 -11.837 -3.973 1.00 7.65 C ATOM 352 CB THR A 51 15.816 -12.219 -4.362 1.00 7.37 C ATOM 353 OG1 THR A 51 15.603 -13.595 -4.060 1.00 6.97 O ATOM 354 CG2 THR A 51 15.526 -12.044 -5.861 1.00 7.57 C ATOM 355 C THR A 51 17.517 -10.359 -4.246 1.00 7.60 C ATOM 356 O THR A 51 17.266 -9.533 -3.422 1.00 6.96 O ATOM 357 N ASP A 52 18.083 -10.063 -5.417 1.00 8.00 N ATOM 358 CA ASP A 52 18.308 -8.698 -5.889 1.00 8.90 C ATOM 359 CB ASP A 52 19.690 -8.622 -6.557 1.00 9.67 C ATOM 360 CG ASP A 52 20.835 -8.812 -5.588 1.00 11.94 C ATOM 361 OD1 ASP A 52 20.701 -8.774 -4.364 1.00 12.35 O ATOM 362 OD2 ASP A 52 21.969 -8.934 -6.117 1.00 15.00 O ATOM 363 C ASP A 52 17.243 -8.368 -6.884 1.00 8.26 C ATOM 364 O ASP A 52 16.885 -9.212 -7.758 1.00 7.54 O ATOM 365 N TYR A 53 16.732 -7.140 -6.782 1.00 8.07 N ATOM 366 CA TYR A 53 15.582 -6.726 -7.551 1.00 8.23 C ATOM 367 CB TYR A 53 14.385 -6.469 -6.624 1.00 8.24 C ATOM 368 CG TYR A 53 13.868 -7.703 -5.911 1.00 8.43 C ATOM 369 CD1 TYR A 53 12.803 -8.426 -6.451 1.00 8.25 C ATOM 370 CE1 TYR A 53 12.343 -9.574 -5.802 1.00 7.73 C ATOM 371 CZ TYR A 53 12.942 -9.996 -4.642 1.00 7.61 C ATOM 372 OH TYR A 53 12.538 -11.164 -4.011 1.00 7.78 O ATOM 373 CE2 TYR A 53 14.012 -9.271 -4.087 1.00 7.57 C ATOM 374 CD2 TYR A 53 14.451 -8.169 -4.719 1.00 7.56 C ATOM 375 C TYR A 53 15.825 -5.441 -8.286 1.00 7.80 C ATOM 376 O TYR A 53 16.209 -4.431 -7.671 1.00 7.68 O ATOM 377 N GLY A 54 15.456 -5.462 -9.548 1.00 8.05 N ATOM 378 CA GLY A 54 15.261 -4.249 -10.316 1.00 8.45 C ATOM 379 C GLY A 54 16.494 -3.715 -11.029 1.00 8.65 C ATOM 380 O GLY A 54 17.527 -4.364 -11.116 1.00 9.53 O ATOM 381 N ILE A 55 16.313 -2.521 -11.533 1.00 9.10 N ATOM 382 CA ILE A 55 17.275 -1.833 -12.359 1.00 11.08 C ATOM 383 CB ILE A 55 16.647 -0.479 -12.796 1.00 13.37 C ATOM 384 CG1 ILE A 55 17.448 0.177 -13.906 1.00 16.91 C ATOM 385 CD1 ILE A 55 16.742 0.032 -15.231 1.00 17.51 C ATOM 386 CG2 ILE A 55 16.388 0.432 -11.613 1.00 12.81 C ATOM 387 C ILE A 55 18.624 -1.673 -11.647 1.00 10.95 C ATOM 388 O ILE A 55 19.681 -1.710 -12.277 1.00 10.29 O ATOM 389 N LEU A 56 18.569 -1.467 -10.340 1.00 11.68 N ATOM 390 CA LEU A 56 19.770 -1.392 -9.519 1.00 10.97 C ATOM 391 CB LEU A 56 19.848 -0.075 -8.799 1.00 11.21 C ATOM 392 CG LEU A 56 20.166 1.096 -9.745 1.00 11.52 C ATOM 393 CD1 LEU A 56 19.790 2.395 -9.052 1.00 12.23 C ATOM 394 CD2 LEU A 56 21.656 1.121 -10.094 1.00 12.12 C ATOM 395 C LEU A 56 19.971 -2.585 -8.570 1.00 10.90 C ATOM 396 O LEU A 56 20.853 -2.537 -7.691 1.00 10.14 O ATOM 397 N GLN A 57 19.281 -3.705 -8.823 1.00 9.27 N ATOM 398 CA GLN A 57 19.570 -4.966 -8.134 1.00 8.79 C ATOM 399 CB GLN A 57 20.800 -5.685 -8.774 1.00 8.36 C ATOM 400 CG GLN A 57 20.465 -6.196 -10.152 1.00 8.57 C ATOM 401 CD GLN A 57 19.532 -7.383 -10.110 1.00 9.24 C ATOM 402 OE1 GLN A 57 19.954 -8.490 -9.784 1.00 9.70 O ATOM 403 NE2 GLN A 57 18.240 -7.144 -10.417 1.00 8.30 N ATOM 404 C GLN A 57 19.737 -4.791 -6.622 1.00 9.68 C ATOM 405 O GLN A 57 20.713 -5.215 -5.980 1.00 11.08 O ATOM 406 N ILE A 58 18.700 -4.211 -6.059 1.00 10.25 N ATOM 407 CA ILE A 58 18.627 -3.967 -4.625 1.00 10.71 C ATOM 408 CB ILE A 58 17.657 -2.843 -4.420 1.00 12.24 C ATOM 409 CG1 ILE A 58 18.248 -1.556 -4.995 1.00 12.94 C ATOM 410 CD1 ILE A 58 17.283 -0.425 -5.041 1.00 14.23 C ATOM 411 CG2 ILE A 58 17.297 -2.657 -2.956 1.00 12.09 C ATOM 412 C ILE A 58 18.252 -5.223 -3.856 1.00 10.65 C ATOM 413 O ILE A 58 17.319 -5.966 -4.242 1.00 9.77 O ATOM 414 N ASN A 59 19.047 -5.529 -2.835 1.00 9.76 N ATOM 415 CA ASN A 59 19.061 -6.819 -2.180 1.00 10.85 C ATOM 416 CB ASN A 59 20.529 -7.096 -1.704 1.00 12.22 C ATOM 417 CG ASN A 59 20.784 -8.500 -1.175 1.00 13.75 C ATOM 418 OD1 ASN A 59 19.900 -9.193 -0.847 1.00 16.56 O ATOM 419 ND2 ASN A 59 22.050 -8.894 -1.085 1.00 15.81 N ATOM 420 C ASN A 59 18.035 -6.889 -1.024 1.00 10.16 C ATOM 421 O ASN A 59 17.998 -5.979 -0.187 1.00 12.89 O ATOM 422 N SER A 60 17.271 -7.968 -0.936 1.00 9.42 N ATOM 423 CA SER A 60 16.296 -8.166 0.099 1.00 9.37 C ATOM 424 CB SER A 60 15.441 -9.399 -0.248 1.00 9.64 C ATOM 425 OG SER A 60 16.117 -10.617 -0.385 1.00 9.19 O ATOM 426 C SER A 60 16.938 -8.400 1.449 1.00 11.01 C ATOM 427 O SER A 60 16.208 -8.365 2.444 1.00 12.23 O ATOM 428 N ARG A 61 18.229 -8.727 1.491 1.00 11.95 N ATOM 429 CA ARG A 61 18.941 -8.977 2.755 1.00 13.07 C ATOM 430 CB ARG A 61 20.395 -9.320 2.470 1.00 11.86 C ATOM 431 NE ARG A 61 20.092 -13.775 3.702 1.00 32.16 N ATOM 432 CZ ARG A 61 19.973 -13.035 4.805 1.00 36.72 C ATOM 433 C ARG A 61 18.828 -7.775 3.662 1.00 13.71 C ATOM 434 O ARG A 61 18.710 -7.984 4.860 1.00 14.30 O ATOM 435 N TYR A 62 18.809 -6.545 3.111 1.00 12.72 N ATOM 436 CA TYR A 62 18.783 -5.314 3.899 1.00 13.57 C ATOM 437 CB TYR A 62 20.104 -4.518 3.797 1.00 16.57 C ATOM 438 CG TYR A 62 21.316 -5.403 3.853 1.00 19.13 C ATOM 439 CD1 TYR A 62 21.892 -5.744 5.047 1.00 21.55 C ATOM 440 CE1 TYR A 62 22.989 -6.594 5.073 1.00 22.14 C ATOM 441 CD2 TYR A 62 21.854 -5.930 2.679 1.00 22.64 C ATOM 442 C TYR A 62 17.639 -4.340 3.558 1.00 11.70 C ATOM 443 O TYR A 62 17.135 -3.639 4.411 1.00 11.42 O ATOM 444 N TRP A 63 17.242 -4.223 2.291 1.00 10.52 N ATOM 445 CA TRP A 63 16.624 -2.989 1.803 1.00 10.59 C ATOM 446 CB TRP A 63 17.352 -2.500 0.551 1.00 11.04 C ATOM 447 CG TRP A 63 18.820 -2.279 0.811 1.00 10.52 C ATOM 448 CD1 TRP A 63 19.874 -3.062 0.362 1.00 11.31 C ATOM 449 NE1 TRP A 63 21.058 -2.605 0.865 1.00 11.86 N ATOM 450 CE2 TRP A 63 20.797 -1.538 1.677 1.00 10.94 C ATOM 451 CD2 TRP A 63 19.380 -1.327 1.679 1.00 11.43 C ATOM 452 CE3 TRP A 63 18.853 -0.278 2.425 1.00 11.63 C ATOM 453 CZ3 TRP A 63 19.705 0.494 3.150 1.00 12.72 C ATOM 454 CH2 TRP A 63 21.092 0.258 3.135 1.00 12.28 C ATOM 455 CZ2 TRP A 63 21.656 -0.756 2.432 1.00 12.26 C ATOM 456 C TRP A 63 15.142 -3.088 1.472 1.00 10.46 C ATOM 457 O TRP A 63 14.458 -2.094 1.515 1.00 10.18 O ATOM 458 N CYS A 64 14.686 -4.270 1.117 1.00 9.39 N ATOM 459 CA CYS A 64 13.276 -4.441 0.794 1.00 8.87 C ATOM 460 CB CYS A 64 13.048 -4.343 -0.720 1.00 8.81 C ATOM 461 SG CYS A 64 13.826 -5.645 -1.683 1.00 9.80 S ATOM 462 C CYS A 64 12.720 -5.736 1.334 1.00 9.13 C ATOM 463 O CYS A 64 13.451 -6.635 1.716 1.00 9.57 O ATOM 464 N HIS A 65 11.389 -5.801 1.398 1.00 9.25 N ATOM 465 CA HIS A 65 10.767 -7.053 1.915 1.00 10.12 C ATOM 466 CB HIS A 65 9.663 -6.699 2.900 1.00 10.04 C ATOM 467 CG HIS A 65 8.959 -7.911 3.362 1.00 10.97 C ATOM 468 ND1 HIS A 65 9.624 -8.968 3.910 1.00 10.68 N ATOM 469 CD2 HIS A 65 7.696 -8.322 3.088 1.00 10.80 C ATOM 470 C HIS A 65 10.212 -7.932 0.833 1.00 8.95 C ATOM 471 O HIS A 65 9.363 -7.475 0.082 1.00 8.66 O ATOM 472 N ASP A 66 10.681 -9.181 0.746 1.00 9.29 N ATOM 473 CA ASP A 66 10.128 -10.188 -0.167 1.00 8.81 C ATOM 474 CB ASP A 66 11.131 -10.645 -1.228 1.00 8.51 C ATOM 475 CG ASP A 66 12.307 -11.425 -0.663 1.00 8.39 C ATOM 476 OD1 ASP A 66 12.356 -11.820 0.503 1.00 7.66 O ATOM 477 OD2 ASP A 66 13.219 -11.707 -1.474 1.00 8.97 O ATOM 478 C ASP A 66 9.458 -11.370 0.559 1.00 9.72 C ATOM 479 O ASP A 66 9.016 -12.280 -0.102 1.00 10.31 O ATOM 480 N GLY A 67 9.424 -11.359 1.879 1.00 11.35 N ATOM 481 CA GLY A 67 8.873 -12.440 2.662 1.00 11.78 C ATOM 482 C GLY A 67 9.587 -13.744 2.684 1.00 13.25 C ATOM 483 O GLY A 67 9.069 -14.735 3.252 1.00 15.40 O ATOM 484 N LYS A 68 10.731 -13.841 2.008 1.00 10.74 N ATOM 485 CA LYS A 68 11.395 -15.127 1.934 1.00 12.12 C ATOM 486 CB LYS A 68 11.128 -15.784 0.574 1.00 11.48 C ATOM 487 CG LYS A 68 11.663 -15.059 -0.633 1.00 11.63 C ATOM 488 CD LYS A 68 11.657 -16.047 -1.772 1.00 12.11 C ATOM 489 CE LYS A 68 12.704 -15.651 -2.722 1.00 11.11 C ATOM 490 NZ LYS A 68 12.543 -16.156 -4.064 1.00 14.64 N ATOM 491 C LYS A 68 12.893 -14.969 2.198 1.00 13.18 C ATOM 492 O LYS A 68 13.669 -15.827 1.767 1.00 15.08 O ATOM 493 N THR A 69 13.274 -13.940 2.947 1.00 11.73 N ATOM 494 CA THR A 69 14.683 -13.731 3.279 1.00 12.87 C ATOM 495 CB THR A 69 15.223 -12.445 2.581 1.00 12.59 C ATOM 496 OG1 THR A 69 14.920 -12.496 1.184 1.00 10.37 O ATOM 497 CG2 THR A 69 16.765 -12.373 2.702 1.00 12.70 C ATOM 498 C THR A 69 14.825 -13.711 4.792 1.00 13.38 C ATOM 499 O THR A 69 14.861 -12.668 5.365 1.00 12.83 O ATOM 500 N PRO A 70 14.855 -14.891 5.444 1.00 14.91 N ATOM 501 CA PRO A 70 14.912 -14.820 6.940 1.00 16.54 C ATOM 502 CB PRO A 70 15.042 -16.315 7.355 1.00 17.71 C ATOM 503 CG PRO A 70 14.410 -17.082 6.214 1.00 17.91 C ATOM 504 CD PRO A 70 14.707 -16.288 4.956 1.00 17.60 C ATOM 505 C PRO A 70 15.990 -13.889 7.530 1.00 18.65 C ATOM 506 O PRO A 70 17.181 -13.922 7.103 1.00 25.07 O ATOM 507 N GLY A 71 15.595 -13.036 8.497 1.00 18.06 N ATOM 508 CA GLY A 71 16.371 -11.806 8.845 1.00 20.85 C ATOM 509 C GLY A 71 16.790 -11.071 7.585 1.00 21.45 C ATOM 510 N SER A 72 15.957 -10.292 6.928 1.00 23.90 N ATOM 511 CA SER A 72 16.229 -9.966 5.503 1.00 23.45 C ATOM 512 OG SER A 72 14.241 -8.104 3.581 1.00 10.49 O ATOM 513 O SER A 72 15.149 -8.669 8.106 1.00 26.98 O ATOM 514 N LYS A 73 15.557 -6.523 7.144 1.00 14.42 N ATOM 515 CB LYS A 73 16.937 -4.916 7.804 1.00 25.55 C ATOM 516 CG LYS A 73 17.481 -5.620 9.049 1.00 23.70 C ATOM 517 CE LYS A 73 21.757 -5.849 8.437 1.00 21.73 C ATOM 518 C LYS A 73 13.846 -4.352 7.346 1.00 19.19 C ATOM 519 O LYS A 73 13.790 -3.299 8.109 1.00 23.69 O ATOM 520 N ASN A 74 14.237 -4.419 6.050 1.00 14.97 N ATOM 521 CA ASN A 74 13.487 -3.800 4.951 1.00 12.51 C ATOM 522 CB ASN A 74 11.985 -4.177 5.003 1.00 11.01 C ATOM 523 CG ASN A 74 11.114 -3.432 3.988 1.00 11.93 C ATOM 524 OD1 ASN A 74 11.607 -2.755 3.078 1.00 11.68 O ATOM 525 ND2 ASN A 74 9.788 -3.513 4.187 1.00 12.35 N ATOM 526 C ASN A 74 13.725 -2.292 5.154 1.00 12.20 C ATOM 527 O ASN A 74 12.794 -1.559 5.434 1.00 13.44 O ATOM 528 N ALA A 75 14.976 -1.846 5.024 1.00 12.47 N ATOM 529 CA ALA A 75 15.336 -0.459 5.376 1.00 12.57 C ATOM 530 CB ALA A 75 16.840 -0.312 5.497 1.00 14.34 C ATOM 531 C ALA A 75 14.759 0.619 4.480 1.00 13.66 C ATOM 532 O ALA A 75 14.664 1.776 4.860 1.00 14.87 O ATOM 533 N CYS A 76 14.380 0.234 3.265 1.00 12.77 N ATOM 534 CA CYS A 76 13.672 1.139 2.398 1.00 12.00 C ATOM 535 CB CYS A 76 14.056 0.928 0.907 1.00 11.39 C ATOM 536 SG CYS A 76 15.828 1.239 0.581 1.00 12.03 S ATOM 537 C CYS A 76 12.158 1.160 2.576 1.00 12.30 C ATOM 538 O CYS A 76 11.471 1.931 1.926 1.00 14.72 O ATOM 539 N ASN A 77 11.655 0.276 3.423 1.00 13.37 N ATOM 540 CA ASN A 77 10.260 0.198 3.813 1.00 14.35 C ATOM 541 CB ASN A 77 9.822 1.410 4.679 1.00 14.28 C ATOM 542 C ASN A 77 9.392 0.066 2.575 1.00 14.87 C ATOM 543 O ASN A 77 8.501 0.848 2.346 1.00 14.38 O ATOM 544 N ILE A 78 9.690 -0.960 1.785 1.00 15.03 N ATOM 545 CA ILE A 78 9.069 -1.179 0.510 1.00 14.44 C ATOM 546 CB ILE A 78 9.857 -0.372 -0.588 1.00 16.55 C ATOM 547 CG1 ILE A 78 9.101 -0.236 -1.892 1.00 19.99 C ATOM 548 CG2 ILE A 78 11.224 -0.953 -0.904 1.00 16.58 C ATOM 549 C ILE A 78 9.035 -2.704 0.214 1.00 12.74 C ATOM 550 O ILE A 78 9.983 -3.427 0.513 1.00 11.34 O ATOM 551 N SER A 79 7.962 -3.187 -0.404 1.00 12.52 N ATOM 552 CA SER A 79 7.998 -4.517 -1.018 1.00 12.64 C ATOM 553 CB SER A 79 6.636 -4.824 -1.668 1.00 13.34 C ATOM 554 OG SER A 79 5.951 -5.763 -0.897 1.00 22.07 O ATOM 555 C SER A 79 9.033 -4.538 -2.129 1.00 10.98 C ATOM 556 O SER A 79 9.114 -3.620 -2.956 1.00 10.43 O ATOM 557 N CYS A 80 9.771 -5.619 -2.209 1.00 10.67 N ATOM 558 CA CYS A 80 10.757 -5.737 -3.257 1.00 9.51 C ATOM 559 CB CYS A 80 11.514 -7.033 -3.072 1.00 9.51 C ATOM 560 SG CYS A 80 12.478 -7.233 -1.575 1.00 9.79 S ATOM 561 C CYS A 80 10.098 -5.707 -4.639 1.00 9.87 C ATOM 562 O CYS A 80 10.729 -5.244 -5.570 1.00 9.19 O ATOM 563 N SER A 81 8.846 -6.159 -4.737 1.00 10.42 N ATOM 564 CA SER A 81 8.159 -6.037 -5.993 1.00 11.38 C ATOM 565 CB SER A 81 6.788 -6.695 -5.837 1.00 11.80 C ATOM 566 OG SER A 81 6.012 -5.937 -4.934 1.00 12.51 O ATOM 567 C SER A 81 8.019 -4.604 -6.537 1.00 12.07 C ATOM 568 O SER A 81 8.051 -4.386 -7.761 1.00 12.24 O ATOM 569 N LYS A 82 7.940 -3.608 -5.646 1.00 11.91 N ATOM 570 CA LYS A 82 7.976 -2.185 -6.097 1.00 12.99 C ATOM 571 CB LYS A 82 7.791 -1.210 -4.917 1.00 14.92 C ATOM 572 C LYS A 82 9.225 -1.764 -6.833 1.00 12.89 C ATOM 573 O LYS A 82 9.276 -0.730 -7.541 1.00 12.79 O ATOM 574 N LEU A 83 10.293 -2.529 -6.640 1.00 11.73 N ATOM 575 CA LEU A 83 11.566 -2.192 -7.269 1.00 12.67 C ATOM 576 CB LEU A 83 12.718 -2.695 -6.414 1.00 13.20 C ATOM 577 CG LEU A 83 12.795 -2.186 -4.993 1.00 14.32 C ATOM 578 CD1 LEU A 83 13.948 -2.901 -4.296 1.00 14.47 C ATOM 579 CD2 LEU A 83 13.013 -0.661 -5.049 1.00 16.00 C ATOM 580 C LEU A 83 11.635 -2.736 -8.703 1.00 13.23 C ATOM 581 O LEU A 83 12.663 -2.621 -9.342 1.00 12.63 O ATOM 582 N LEU A 84 10.539 -3.352 -9.170 1.00 13.13 N ATOM 583 CA LEU A 84 10.437 -3.974 -10.496 1.00 13.16 C ATOM 584 CB LEU A 84 9.878 -5.407 -10.358 1.00 13.02 C ATOM 585 CG LEU A 84 10.689 -6.351 -9.496 1.00 12.47 C ATOM 586 CD1 LEU A 84 10.200 -7.778 -9.563 1.00 13.51 C ATOM 587 CD2 LEU A 84 12.150 -6.401 -9.927 1.00 11.77 C ATOM 588 C LEU A 84 9.552 -3.181 -11.446 1.00 13.90 C ATOM 589 O LEU A 84 9.376 -3.564 -12.621 1.00 15.43 O ATOM 590 N ASP A 85 9.081 -2.036 -10.953 1.00 13.96 N ATOM 591 CA ASP A 85 8.177 -1.217 -11.680 1.00 13.09 C ATOM 592 OD1 ASP A 85 6.958 0.933 -11.513 1.00 29.18 O ATOM 593 C ASP A 85 8.778 -0.513 -12.916 1.00 14.16 C ATOM 594 O ASP A 85 10.013 -0.307 -13.030 1.00 13.99 O ATOM 595 N ASP A 86 7.938 -0.184 -13.891 1.00 13.93 N ATOM 596 CA ASP A 86 8.407 0.596 -15.039 1.00 14.09 C ATOM 597 CB ASP A 86 7.258 0.756 -16.045 1.00 17.10 C ATOM 598 OD2 ASP A 86 4.391 -1.197 -17.571 1.00 49.36 O ATOM 599 C ASP A 86 8.929 2.004 -14.656 1.00 15.66 C ATOM 600 O ASP A 86 9.859 2.532 -15.272 1.00 14.20 O ATOM 601 N ASP A 87 8.276 2.594 -13.670 1.00 13.18 N ATOM 602 CA ASP A 87 8.635 3.876 -13.101 1.00 13.20 C ATOM 603 CB ASP A 87 7.331 4.493 -12.580 1.00 14.24 C ATOM 604 CG ASP A 87 7.520 5.760 -11.827 1.00 17.26 C ATOM 605 OD1 ASP A 87 8.554 5.941 -11.166 1.00 13.98 O ATOM 606 OD2 ASP A 87 6.556 6.597 -11.870 1.00 21.70 O ATOM 607 C ASP A 87 9.672 3.652 -12.017 1.00 11.54 C ATOM 608 O ASP A 87 9.500 2.795 -11.149 1.00 13.00 O ATOM 609 N ILE A 88 10.818 4.308 -12.186 1.00 11.83 N ATOM 610 CA ILE A 88 11.989 4.010 -11.337 1.00 11.47 C ATOM 611 CB ILE A 88 13.297 4.311 -12.089 1.00 12.06 C ATOM 612 CG1 ILE A 88 13.516 5.829 -12.300 1.00 11.56 C ATOM 613 CD1 ILE A 88 14.856 6.166 -12.896 1.00 11.90 C ATOM 614 CG2 ILE A 88 13.308 3.478 -13.392 1.00 13.17 C ATOM 615 C ILE A 88 11.955 4.672 -9.982 1.00 11.81 C ATOM 616 O ILE A 88 12.938 4.556 -9.278 1.00 10.10 O ATOM 617 N THR A 89 10.892 5.402 -9.616 1.00 11.44 N ATOM 618 CA THR A 89 10.878 6.159 -8.368 1.00 11.63 C ATOM 619 CB THR A 89 9.512 6.855 -8.104 1.00 12.51 C ATOM 620 OG1 THR A 89 9.219 7.708 -9.199 1.00 13.73 O ATOM 621 CG2 THR A 89 9.583 7.728 -6.880 1.00 12.77 C ATOM 622 C THR A 89 11.263 5.381 -7.122 1.00 11.51 C ATOM 623 O THR A 89 12.133 5.832 -6.360 1.00 12.18 O ATOM 624 N ASP A 90 10.739 4.182 -6.971 1.00 11.35 N ATOM 625 CA ASP A 90 11.029 3.432 -5.740 1.00 11.84 C ATOM 626 CG ASP A 90 7.725 3.463 -7.666 1.00 27.09 C ATOM 627 OD1 ASP A 90 8.426 3.354 -8.701 1.00 19.28 O ATOM 628 C ASP A 90 12.479 2.935 -5.754 1.00 11.07 C ATOM 629 O ASP A 90 13.202 3.026 -4.746 1.00 11.90 O ATOM 630 N ASP A 91 12.980 2.506 -6.906 1.00 10.67 N ATOM 631 CA ASP A 91 14.394 2.119 -6.967 1.00 9.86 C ATOM 632 CB ASP A 91 14.736 1.442 -8.268 1.00 9.55 C ATOM 633 CG ASP A 91 14.183 0.106 -8.335 1.00 7.17 C ATOM 634 C ASP A 91 15.383 3.278 -6.694 1.00 9.72 C ATOM 635 O ASP A 91 16.382 3.093 -5.955 1.00 10.59 O ATOM 636 N LEU A 92 15.094 4.422 -7.277 1.00 10.61 N ATOM 637 CA LEU A 92 15.891 5.652 -7.028 1.00 10.53 C ATOM 638 CB LEU A 92 15.368 6.826 -7.879 1.00 12.45 C ATOM 639 CG LEU A 92 15.439 6.468 -9.352 1.00 14.70 C ATOM 640 CD2 LEU A 92 16.835 6.352 -9.822 1.00 18.41 C ATOM 641 C LEU A 92 15.850 6.024 -5.528 1.00 10.43 C ATOM 642 O LEU A 92 16.864 6.255 -4.938 1.00 8.55 O ATOM 643 N LYS A 93 14.679 6.134 -4.941 1.00 9.98 N ATOM 644 CA LYS A 93 14.561 6.471 -3.526 1.00 10.44 C ATOM 645 CB LYS A 93 13.088 6.536 -3.134 1.00 12.26 C ATOM 646 CG LYS A 93 12.417 7.849 -3.601 1.00 14.25 C ATOM 647 NZ LYS A 93 9.578 10.258 -4.436 1.00 30.40 N ATOM 648 C LYS A 93 15.339 5.509 -2.632 1.00 10.35 C ATOM 649 O LYS A 93 16.008 5.921 -1.656 1.00 10.92 O ATOM 650 N CYS A 94 15.262 4.221 -2.950 1.00 9.89 N ATOM 651 CA CYS A 94 15.974 3.272 -2.139 1.00 10.42 C ATOM 652 CB CYS A 94 15.484 1.857 -2.393 1.00 11.82 C ATOM 653 SG CYS A 94 16.108 0.564 -1.331 1.00 11.34 S ATOM 654 C CYS A 94 17.484 3.335 -2.391 1.00 10.90 C ATOM 655 O CYS A 94 18.280 3.281 -1.455 1.00 10.84 O ATOM 656 N ALA A 95 17.874 3.434 -3.653 1.00 10.82 N ATOM 657 CA ALA A 95 19.316 3.657 -3.952 1.00 9.65 C ATOM 658 CB ALA A 95 19.537 3.779 -5.458 1.00 10.05 C ATOM 659 C ALA A 95 19.946 4.883 -3.294 1.00 9.78 C ATOM 660 O ALA A 95 21.110 4.847 -2.918 1.00 9.35 O ATOM 661 N LYS A 96 19.184 5.942 -3.152 1.00 9.91 N ATOM 662 CA LYS A 96 19.660 7.090 -2.353 1.00 10.72 C ATOM 663 CB LYS A 96 18.630 8.245 -2.403 1.00 11.18 C ATOM 664 CG LYS A 96 18.591 8.928 -3.767 1.00 11.19 C ATOM 665 CD LYS A 96 17.460 9.953 -3.809 1.00 11.84 C ATOM 666 CE LYS A 96 17.435 10.667 -5.166 1.00 12.28 C ATOM 667 C LYS A 96 20.008 6.679 -0.936 1.00 10.85 C ATOM 668 O LYS A 96 20.995 7.135 -0.350 1.00 10.85 O ATOM 669 N LYS A 97 19.171 5.853 -0.326 1.00 10.67 N ATOM 670 CA LYS A 97 19.478 5.391 1.032 1.00 10.73 C ATOM 671 CB LYS A 97 18.263 4.707 1.608 1.00 12.55 C ATOM 672 CG LYS A 97 18.434 4.318 3.037 1.00 14.34 C ATOM 673 NZ LYS A 97 19.051 3.263 5.705 1.00 29.35 N ATOM 674 C LYS A 97 20.737 4.474 1.052 1.00 10.38 C ATOM 675 O LYS A 97 21.597 4.576 1.932 1.00 9.98 O ATOM 676 N ILE A 98 20.824 3.598 0.074 1.00 9.56 N ATOM 677 CA ILE A 98 21.917 2.654 -0.003 1.00 9.85 C ATOM 678 CB ILE A 98 21.701 1.638 -1.160 1.00 10.38 C ATOM 679 CG1 ILE A 98 20.393 0.849 -0.936 1.00 10.44 C ATOM 680 CD1 ILE A 98 20.023 -0.141 -2.029 1.00 11.44 C ATOM 681 CG2 ILE A 98 22.923 0.703 -1.266 1.00 10.68 C ATOM 682 C ILE A 98 23.261 3.429 -0.114 1.00 9.79 C ATOM 683 O ILE A 98 24.237 3.135 0.609 1.00 9.18 O ATOM 684 N ALA A 99 23.308 4.361 -1.073 1.00 10.08 N ATOM 685 CA ALA A 99 24.535 5.076 -1.366 1.00 10.06 C ATOM 686 CB ALA A 99 24.445 5.782 -2.686 1.00 10.41 C ATOM 687 C ALA A 99 24.935 6.027 -0.220 1.00 11.63 C ATOM 688 O ALA A 99 26.137 6.432 -0.160 1.00 11.13 O ATOM 689 N GLY A 100 23.999 6.350 0.693 1.00 12.06 N ATOM 690 CA GLY A 100 24.319 7.173 1.867 1.00 12.54 C ATOM 691 C GLY A 100 24.804 6.362 3.066 1.00 13.35 C ATOM 692 O GLY A 100 25.066 6.903 4.118 1.00 15.34 O ATOM 693 N GLU A 101 24.893 5.064 2.908 1.00 12.69 N ATOM 694 C GLU A 101 26.831 4.193 4.305 1.00 17.62 C ATOM 695 O GLU A 101 27.888 4.814 4.087 1.00 26.04 O ATOM 696 N ALA A 102 26.605 3.518 5.449 1.00 17.13 N ATOM 697 CB ALA A 102 26.894 2.399 0.699 1.00 7.69 C ATOM 698 O ALA A 102 29.427 4.237 -0.026 1.00 12.16 O ATOM 699 N LYS A 103 28.014 6.174 1.736 1.00 9.41 N ATOM 700 CB LYS A 103 28.341 9.270 2.875 1.00 24.79 C ATOM 701 CG LYS A 103 28.655 8.241 3.971 1.00 25.32 C ATOM 702 CD LYS A 103 29.349 8.798 5.194 1.00 25.02 C ATOM 703 O LYS A 103 32.078 6.115 0.709 1.00 14.63 O ATOM 704 CA GLY A 104 29.140 4.961 -1.407 1.00 8.99 C ATOM 705 C GLY A 104 28.586 3.922 -2.348 1.00 9.18 C ATOM 706 O GLY A 104 27.832 3.031 -1.998 1.00 9.45 O ATOM 707 N LEU A 105 29.012 4.043 -3.586 1.00 7.86 N ATOM 708 CA LEU A 105 28.491 3.158 -4.636 1.00 7.02 C ATOM 709 CB LEU A 105 28.504 3.784 -5.996 1.00 5.87 C ATOM 710 CG LEU A 105 27.486 4.846 -6.340 1.00 4.33 C ATOM 711 CD1 LEU A 105 27.360 5.265 -7.936 1.00 2.43 C ATOM 712 C LEU A 105 29.178 1.783 -4.568 1.00 7.38 C ATOM 713 O LEU A 105 28.809 0.881 -5.349 1.00 7.43 O ATOM 714 N THR A 106 30.168 1.605 -3.671 1.00 7.84 N ATOM 715 CA THR A 106 30.789 0.286 -3.492 1.00 8.51 C ATOM 716 CB THR A 106 32.011 0.447 -2.582 1.00 8.20 C ATOM 717 CG2 THR A 106 33.243 1.030 -3.341 1.00 8.42 C ATOM 718 C THR A 106 29.778 -0.797 -3.027 1.00 9.01 C ATOM 719 O THR A 106 30.004 -1.995 -3.204 1.00 9.28 O ATOM 720 N PRO A 107 28.598 -0.350 -2.534 1.00 9.28 N ATOM 721 CA PRO A 107 27.569 -1.358 -2.218 1.00 9.26 C ATOM 722 CB PRO A 107 26.416 -0.550 -1.612 1.00 9.11 C ATOM 723 C PRO A 107 27.058 -2.123 -3.428 1.00 10.12 C ATOM 724 O PRO A 107 26.587 -3.228 -3.272 1.00 10.84 O ATOM 725 N TRP A 108 27.182 -1.522 -4.598 1.00 10.04 N ATOM 726 CA TRP A 108 26.985 -2.239 -5.874 1.00 10.08 C ATOM 727 CB TRP A 108 26.383 -1.325 -6.945 1.00 9.76 C ATOM 728 CG TRP A 108 25.010 -0.929 -6.653 1.00 9.59 C ATOM 729 CD1 TRP A 108 23.843 -1.652 -6.934 1.00 9.86 C ATOM 730 NE1 TRP A 108 22.754 -0.950 -6.507 1.00 10.13 N ATOM 731 CE2 TRP A 108 23.161 0.185 -5.854 1.00 9.10 C ATOM 732 CD2 TRP A 108 24.598 0.230 -5.917 1.00 8.74 C ATOM 733 CE3 TRP A 108 25.280 1.330 -5.352 1.00 8.33 C ATOM 734 CZ3 TRP A 108 24.523 2.343 -4.729 1.00 8.36 C ATOM 735 CH2 TRP A 108 23.074 2.269 -4.722 1.00 8.68 C ATOM 736 CZ2 TRP A 108 22.404 1.184 -5.244 1.00 9.11 C ATOM 737 C TRP A 108 28.282 -2.878 -6.330 1.00 10.19 C ATOM 738 O TRP A 108 29.147 -2.258 -6.865 1.00 9.22 O ATOM 739 N VAL A 109 28.434 -4.161 -6.069 1.00 11.04 N ATOM 740 CA VAL A 109 29.671 -4.856 -6.479 1.00 11.69 C ATOM 741 CB VAL A 109 29.659 -6.348 -6.063 1.00 13.81 C ATOM 742 CG1 VAL A 109 28.463 -7.041 -6.633 1.00 16.15 C ATOM 743 CG2 VAL A 109 30.943 -7.027 -6.475 1.00 15.81 C ATOM 744 C VAL A 109 29.980 -4.692 -7.973 1.00 10.38 C ATOM 745 O VAL A 109 31.160 -4.458 -8.333 1.00 11.46 O ATOM 746 N ALA A 110 28.963 -4.753 -8.839 1.00 10.67 N ATOM 747 CA ALA A 110 29.221 -4.587 -10.300 1.00 11.11 C ATOM 748 CB ALA A 110 28.018 -4.819 -11.149 1.00 11.24 C ATOM 749 C ALA A 110 29.776 -3.203 -10.564 1.00 10.40 C ATOM 750 O ALA A 110 30.610 -3.008 -11.467 1.00 11.60 O ATOM 751 N TRP A 111 29.285 -2.208 -9.836 1.00 8.65 N ATOM 752 CA TRP A 111 29.835 -0.844 -10.004 1.00 8.51 C ATOM 753 CB TRP A 111 29.081 0.230 -9.202 1.00 8.43 C ATOM 754 CG TRP A 111 29.700 1.592 -9.264 1.00 7.75 C ATOM 755 CD1 TRP A 111 29.458 2.571 -10.187 1.00 8.32 C ATOM 756 NE1 TRP A 111 30.242 3.646 -9.949 1.00 7.85 N ATOM 757 CE2 TRP A 111 31.010 3.432 -8.857 1.00 8.29 C ATOM 758 CD2 TRP A 111 30.704 2.145 -8.379 1.00 8.36 C ATOM 759 CE3 TRP A 111 31.378 1.665 -7.251 1.00 8.33 C ATOM 760 CZ3 TRP A 111 32.260 2.504 -6.604 1.00 9.47 C ATOM 761 CH2 TRP A 111 32.540 3.794 -7.111 1.00 9.13 C ATOM 762 CZ2 TRP A 111 31.915 4.269 -8.226 1.00 9.22 C ATOM 763 C TRP A 111 31.317 -0.810 -9.588 1.00 7.95 C ATOM 764 O TRP A 111 32.190 -0.283 -10.333 1.00 7.99 O ATOM 765 N LYS A 112 31.657 -1.414 -8.448 1.00 8.82 N ATOM 766 CA LYS A 112 33.059 -1.359 -8.020 1.00 9.92 C ATOM 767 CB LYS A 112 33.255 -1.989 -6.633 1.00 10.60 C ATOM 768 CG LYS A 112 32.176 -1.812 -5.608 1.00 15.05 C ATOM 769 C LYS A 112 33.916 -2.117 -9.082 1.00 9.87 C ATOM 770 O LYS A 112 35.001 -1.679 -9.441 1.00 10.44 O ATOM 771 N SER A 113 33.381 -3.234 -9.604 1.00 10.53 N ATOM 772 CA SER A 113 34.175 -4.136 -10.454 1.00 10.17 C ATOM 773 CB SER A 113 33.690 -5.618 -10.378 1.00 10.66 C ATOM 774 C SER A 113 34.218 -3.664 -11.888 1.00 10.57 C ATOM 775 O SER A 113 35.204 -3.942 -12.575 1.00 10.60 O ATOM 776 N LYS A 114 33.202 -2.934 -12.356 1.00 9.71 N ATOM 777 CA LYS A 114 33.075 -2.653 -13.780 1.00 9.36 C ATOM 778 CB LYS A 114 31.920 -3.510 -14.436 1.00 9.58 C ATOM 779 CG LYS A 114 31.882 -5.091 -14.393 1.00 9.04 C ATOM 780 CD LYS A 114 31.061 -5.715 -15.693 1.00 8.15 C ATOM 781 NZ LYS A 114 32.911 -4.708 -17.653 1.00 6.51 N ATOM 782 C LYS A 114 32.941 -1.170 -14.118 1.00 9.76 C ATOM 783 O LYS A 114 33.152 -0.777 -15.287 1.00 9.68 O ATOM 784 N CYS A 115 32.627 -0.312 -13.154 1.00 9.05 N ATOM 785 CA CYS A 115 32.445 1.113 -13.403 1.00 9.16 C ATOM 786 CB CYS A 115 31.052 1.506 -12.917 1.00 8.95 C ATOM 787 SG CYS A 115 29.681 0.634 -13.752 1.00 9.79 S ATOM 788 C CYS A 115 33.465 2.003 -12.695 1.00 9.03 C ATOM 789 O CYS A 115 33.938 2.995 -13.272 1.00 8.15 O ATOM 790 N ARG A 116 33.743 1.724 -11.414 1.00 8.94 N ATOM 791 CA ARG A 116 34.650 2.532 -10.626 1.00 9.61 C ATOM 792 CB ARG A 116 34.906 1.872 -9.292 1.00 8.65 C ATOM 793 CG ARG A 116 35.661 2.733 -8.283 1.00 8.56 C ATOM 794 CZ ARG A 116 38.659 5.176 -8.855 1.00 25.31 C ATOM 795 NH1 ARG A 116 37.522 5.702 -8.490 1.00 15.33 N ATOM 796 NH2 ARG A 116 39.799 5.773 -8.529 1.00 30.35 N ATOM 797 C ARG A 116 35.957 2.758 -11.356 1.00 9.56 C ATOM 798 O ARG A 116 36.570 1.819 -11.851 1.00 9.31 O ATOM 799 N GLY A 117 36.283 4.048 -11.474 1.00 10.81 N ATOM 800 CA GLY A 117 37.549 4.466 -12.026 1.00 12.05 C ATOM 801 C GLY A 117 37.550 4.610 -13.540 1.00 13.84 C ATOM 802 O GLY A 117 38.514 5.184 -14.100 1.00 14.99 O ATOM 803 N HIS A 118 36.494 4.111 -14.194 1.00 11.59 N ATOM 804 CA HIS A 118 36.404 4.108 -15.651 1.00 11.33 C ATOM 805 CB HIS A 118 35.609 2.894 -16.147 1.00 11.60 C ATOM 806 CG HIS A 118 36.026 1.591 -15.522 1.00 11.30 C ATOM 807 C HIS A 118 35.821 5.434 -16.151 1.00 12.11 C ATOM 808 O HIS A 118 35.394 6.301 -15.391 1.00 11.13 O ATOM 809 N ASP A 119 35.811 5.567 -17.477 1.00 12.03 N ATOM 810 CA ASP A 119 35.491 6.810 -18.107 1.00 12.31 C ATOM 811 CB ASP A 119 36.056 6.757 -19.511 1.00 13.63 C ATOM 812 OD1 ASP A 119 35.331 8.038 -21.512 1.00 18.54 O ATOM 813 O ASP A 119 33.332 3.770 -20.076 1.00 14.68 O ATOM 814 N LEU A 120 33.180 6.374 -19.033 1.00 9.40 N ATOM 815 CB LEU A 120 30.929 7.697 -17.578 1.00 11.91 C ATOM 816 CG LEU A 120 31.760 6.655 -16.823 1.00 12.73 C ATOM 817 CD2 LEU A 120 31.231 6.573 -15.414 1.00 13.31 C ATOM 818 C LEU A 120 31.168 8.336 -20.622 1.00 10.37 C ATOM 819 O LEU A 120 30.524 9.284 -20.155 1.00 15.17 O ATOM 820 N SER A 121 30.821 7.713 -21.748 1.00 12.95 N ATOM 821 O SER A 121 28.465 7.163 -22.906 1.00 14.00 O ATOM 822 CB LYS A 122 29.183 3.309 -22.763 1.00 12.56 C ATOM 823 CE LYS A 122 30.246 2.125 -26.573 1.00 22.67 C ATOM 824 N PHE A 123 28.757 6.769 -20.596 1.00 13.05 N ATOM 825 CA PHE A 123 27.398 6.349 -20.453 1.00 13.47 C ATOM 826 CB PHE A 123 27.237 5.674 -19.106 1.00 13.55 C ATOM 827 CG PHE A 123 27.913 4.371 -19.077 1.00 13.38 C ATOM 828 CD1 PHE A 123 27.332 3.353 -19.760 1.00 15.28 C ATOM 829 CE1 PHE A 123 27.865 2.181 -19.850 1.00 18.29 C ATOM 830 CZ PHE A 123 29.065 1.956 -19.342 1.00 15.38 C ATOM 831 CE2 PHE A 123 29.699 2.924 -18.652 1.00 12.04 C ATOM 832 CD2 PHE A 123 29.138 4.163 -18.514 1.00 14.20 C ATOM 833 N LYS A 124 26.936 8.732 -20.692 1.00 11.77 N ATOM 834 CB LYS A 124 27.569 10.962 -23.997 1.00 13.56 C ATOM 835 CE LYS A 124 27.263 15.047 -24.258 1.00 30.36 C ATOM 836 NZ LYS A 124 27.236 15.280 -22.781 1.00 32.33 N ATOM 837 C LYS A 124 25.578 10.733 -20.064 1.00 18.96 C ATOM 838 O LYS A 124 25.690 9.855 -21.006 1.00 19.30 O ATOM 839 N CYS A 125 26.645 11.302 -19.500 1.00 18.15 N ATOM 840 CB CYS A 125 22.300 12.907 -19.571 1.00 30.57 C ATOM 841 O CYS A 125 22.186 11.556 -22.763 1.00 24.98 O TER 842 CYS A 125 HETATM 843 CA CA A 126 11.181 1.144 -9.110 1.00 34.11 CA ATOM 844 DUM DUM Z 1 31.070 -7.828 -10.887 1.00 1.03 Z O ATOM 845 DUM DUM Z 2 11.725 -11.868 4.679 1.00 5.18 Z O ATOM 846 DUM DUM Z 3 16.458 -1.590 -8.336 1.00 9.48 Z O ATOM 847 DUM DUM Z 4 25.729 9.972 -25.309 1.00 16.88 Z O ATOM 848 DUM DUM Z 5 5.974 -10.840 3.189 1.00 11.73 Z O ATOM 849 DUM DUM Z 6 31.173 10.614 -3.780 1.00 13.09 Z O ATOM 850 DUM DUM Z 7 17.757 5.999 -25.052 1.00 15.57 Z O ATOM 851 DUM DUM Z 8 30.920 4.892 3.296 1.00 14.66 Z O ATOM 852 DUM DUM Z 9 25.116 -7.469 -16.419 1.00 13.89 Z O ATOM 853 DUM DUM Z 10 30.162 -6.911 -17.928 1.00 13.09 Z O ATOM 854 DUM DUM Z 11 21.559 -3.942 -2.428 1.00 17.41 Z O ATOM 855 DUM DUM Z 12 29.186 -7.354 -16.068 1.00 11.49 Z O ATOM 856 DUM DUM Z 13 17.450 -8.281 -19.716 1.00 15.48 Z O ATOM 857 DUM DUM Z 14 37.640 -2.880 -13.894 1.00 12.85 Z O ATOM 858 DUM DUM Z 15 41.823 6.954 -8.719 1.00 11.06 Z O ATOM 859 DUM DUM Z 16 26.101 -5.882 -5.058 1.00 19.18 Z O ATOM 860 DUM DUM Z 17 11.161 -5.702 -18.795 1.00 11.37 Z O ATOM 861 DUM DUM Z 18 34.258 6.539 -18.199 1.00 22.65 Z O ATOM 862 DUM DUM Z 19 31.802 2.885 -22.316 1.00 14.65 Z O ATOM 863 DUM DUM Z 20 21.548 9.024 -24.558 1.00 5.51 Z O ATOM 864 DUM DUM Z 21 29.700 7.616 -17.884 1.00 11.28 Z O ATOM 865 DUM DUM Z 22 14.811 -13.914 -1.555 1.00 10.33 Z O ATOM 866 DUM DUM Z 23 12.855 -9.879 2.601 1.00 10.47 Z O ATOM 867 DUM DUM Z 24 30.698 2.986 -0.755 1.00 9.57 Z O ATOM 868 DUM DUM Z 25 34.096 3.154 -15.932 1.00 9.87 Z O ATOM 869 DUM DUM Z 26 25.146 7.036 -21.077 1.00 13.54 Z O ATOM 870 DUM DUM Z 27 8.810 -6.985 -17.500 1.00 13.69 Z O ATOM 871 DUM DUM Z 28 36.083 -0.985 -12.226 1.00 12.05 Z O ATOM 872 DUM DUM Z 29 24.540 5.110 -24.559 1.00 15.35 Z O ATOM 873 DUM DUM Z 30 23.560 7.117 -2.753 1.00 17.56 Z O ATOM 874 DUM DUM Z 31 13.596 -15.498 -4.867 1.00 14.00 Z O ATOM 875 DUM DUM Z 32 11.344 -13.268 -5.261 1.00 8.26 Z O ATOM 876 DUM DUM Z 33 10.802 6.518 -14.847 1.00 11.20 Z O ATOM 877 DUM DUM Z 34 33.340 6.850 -17.252 1.00 16.89 Z O ATOM 878 DUM DUM Z 35 26.880 10.137 -22.801 1.00 18.43 Z O ATOM 879 DUM DUM Z 36 12.079 0.629 -11.524 1.00 13.32 Z O ATOM 880 DUM DUM Z 37 17.564 -1.185 6.692 1.00 24.73 Z O ATOM 881 DUM DUM Z 38 20.712 14.089 -24.478 1.00 18.98 Z O ATOM 882 DUM DUM Z 39 30.482 6.880 -6.059 1.00 14.77 Z O ATOM 883 DUM DUM Z 40 22.834 9.911 -22.871 1.00 4.39 Z O ATOM 884 DUM DUM Z 41 31.599 13.243 -2.854 1.00 13.77 Z O ATOM 885 DUM DUM Z 42 22.189 -4.622 -20.792 1.00 17.76 Z O ATOM 886 DUM DUM Z 43 25.875 14.167 -13.428 1.00 13.88 Z O ATOM 887 DUM DUM Z 44 15.073 -6.298 4.672 1.00 16.31 Z O ATOM 888 DUM DUM Z 45 35.727 1.723 -7.030 1.00 15.14 Z O ATOM 889 DUM DUM Z 46 23.710 12.304 -24.904 1.00 16.42 Z O ATOM 890 DUM DUM Z 47 35.304 7.118 -12.823 1.00 14.19 Z O ATOM 891 DUM DUM Z 48 15.155 -17.951 -1.812 1.00 17.00 Z O ATOM 892 DUM DUM Z 49 30.651 9.839 -18.767 1.00 22.56 Z O ATOM 893 DUM DUM Z 50 23.608 14.393 -2.457 1.00 17.81 Z O ATOM 894 DUM DUM Z 51 30.270 -6.413 -16.513 1.00 15.75 Z O ATOM 895 DUM DUM Z 52 36.549 0.306 -1.916 1.00 19.88 Z O ATOM 896 DUM DUM Z 53 31.829 5.371 -14.684 1.00 19.06 Z O ATOM 897 DUM DUM Z 54 6.100 -5.706 1.985 1.00 18.49 Z O ATOM 898 DUM DUM Z 55 29.471 3.286 2.276 1.00 13.98 Z O ATOM 899 DUM DUM Z 56 33.586 4.215 0.845 1.00 13.03 Z O ATOM 900 DUM DUM Z 57 30.006 16.835 -0.073 1.00 11.76 Z O ATOM 901 DUM DUM Z 58 26.534 10.640 -25.094 1.00 17.50 Z O ATOM 902 DUM DUM Z 59 26.369 3.659 -8.692 1.00 16.88 Z O ATOM 903 DUM DUM Z 60 8.128 -7.683 -15.528 1.00 13.76 Z O ATOM 904 DUM DUM Z 61 26.475 1.498 -21.042 1.00 21.76 Z O ATOM 905 DUM DUM Z 62 12.467 9.614 -12.060 1.00 17.35 Z O ATOM 906 DUM DUM Z 63 31.033 6.378 -3.933 1.00 8.90 Z O ATOM 907 DUM DUM Z 64 20.106 14.659 -11.288 1.00 18.73 Z O ATOM 908 DUM DUM Z 65 38.990 1.186 -12.939 1.00 17.35 Z O ATOM 909 DUM DUM Z 66 22.953 7.758 2.153 1.00 20.91 Z O ATOM 910 DUM DUM Z 67 13.422 4.632 -17.952 1.00 17.43 Z O ATOM 911 DUM DUM Z 68 6.688 -2.288 -0.716 1.00 23.44 Z O ATOM 912 DUM DUM Z 69 16.052 11.722 -5.296 1.00 19.69 Z O ATOM 913 DUM DUM Z 70 34.777 9.017 -19.717 1.00 16.19 Z O ATOM 914 DUM DUM Z 71 33.447 9.072 -11.648 1.00 16.35 Z O ATOM 915 DUM DUM Z 72 24.661 -6.049 -18.621 1.00 15.81 Z O ATOM 916 DUM DUM Z 73 33.277 2.200 -2.451 1.00 13.77 Z O ATOM 917 DUM DUM Z 74 30.761 -5.828 -14.403 1.00 13.16 Z O ATOM 918 DUM DUM Z 75 29.517 9.757 -20.687 1.00 16.33 Z O ATOM 919 DUM DUM Z 76 16.052 8.263 -7.419 1.00 19.13 Z O ATOM 920 DUM DUM Z 77 7.996 0.207 -10.414 1.00 22.63 Z O ATOM 921 DUM DUM Z 78 20.074 4.465 -12.925 1.00 17.88 Z O ATOM 922 DUM DUM Z 79 11.689 2.921 -2.206 1.00 19.27 Z O ATOM 923 DUM DUM Z 80 18.607 6.981 -13.266 1.00 17.33 Z O ATOM 924 DUM DUM Z 81 13.371 -1.796 -11.593 1.00 17.31 Z O ATOM 925 DUM DUM Z 82 25.254 -15.388 -4.849 1.00 23.30 Z O ATOM 926 DUM DUM Z 83 35.385 -5.108 -5.158 1.00 25.55 Z O ATOM 927 DUM DUM Z 84 24.213 -7.643 -7.981 1.00 14.69 Z O ATOM 928 DUM DUM Z 85 13.347 8.870 -19.600 1.00 18.31 Z O ATOM 929 DUM DUM Z 86 7.061 0.930 -7.463 1.00 14.70 Z O ATOM 930 DUM DUM Z 87 12.904 -12.901 9.273 0.50 15.38 Z O ATOM 931 DUM DUM Z 88 25.573 11.449 -22.418 1.00 13.64 Z O ATOM 932 DUM DUM Z 89 22.834 14.688 -23.622 1.00 14.33 Z O ATOM 933 DUM DUM Z 90 30.409 2.998 1.189 1.00 19.31 Z O ATOM 934 DUM DUM Z 91 28.976 7.954 -4.166 1.00 13.21 Z O ATOM 935 DUM DUM Z 92 26.523 -16.315 0.982 1.00 18.72 Z O ATOM 936 DUM DUM Z 93 19.828 15.483 -24.105 1.00 21.69 Z O ATOM 937 DUM DUM Z 94 19.858 -12.929 -12.060 1.00 16.98 Z O ATOM 938 DUM DUM Z 95 29.564 7.469 -7.172 1.00 15.76 Z O ATOM 939 DUM DUM Z 96 12.224 -8.001 4.944 1.00 15.29 Z O ATOM 940 DUM DUM Z 97 28.433 0.787 -20.264 1.00 16.94 Z O ATOM 941 DUM DUM Z 98 23.492 -11.353 0.220 1.00 21.98 Z O ATOM 942 DUM DUM Z 99 37.251 3.679 -19.209 1.00 15.62 Z O ATOM 943 DUM DUM Z 100 31.145 11.385 -9.994 1.00 13.13 Z O ATOM 944 DUM DUM Z 101 14.410 15.297 -19.931 1.00 25.62 Z O ATOM 945 DUM DUM Z 102 13.161 2.407 -16.976 1.00 14.63 Z O ATOM 946 DUM DUM Z 103 39.131 3.396 -9.402 1.00 13.26 Z O ATOM 947 DUM DUM Z 104 18.344 -8.195 -17.099 1.00 19.19 Z O ATOM 948 DUM DUM Z 105 31.546 8.877 -17.922 1.00 15.14 Z O ATOM 949 DUM DUM Z 106 10.697 1.067 6.430 1.00 23.98 Z O ATOM 950 DUM DUM Z 107 6.072 -3.971 -9.659 1.00 20.87 Z O ATOM 951 DUM DUM Z 108 29.300 7.292 -21.954 1.00 17.55 Z O ATOM 952 DUM DUM Z 109 19.991 -3.009 -22.543 1.00 19.87 Z O ATOM 953 DUM DUM Z 110 34.165 10.002 -16.861 1.00 18.22 Z O ATOM 954 DUM DUM Z 111 22.560 8.714 1.042 1.00 16.13 Z O ATOM 955 DUM DUM Z 112 19.907 7.036 -9.677 1.00 18.73 Z O ATOM 956 DUM DUM Z 113 39.321 -0.898 -14.926 1.00 17.27 Z O ATOM 957 DUM DUM Z 114 31.615 6.497 -22.142 1.00 22.20 Z O ATOM 958 DUM DUM Z 115 39.358 7.221 -10.010 1.00 16.34 Z O ATOM 959 DUM DUM Z 116 9.014 0.945 -1.104 1.00 28.52 Z O ATOM 960 DUM DUM Z 117 18.718 -0.779 -23.632 1.00 13.70 Z O ATOM 961 DUM DUM Z 118 24.616 2.578 3.909 1.00 20.54 Z O ATOM 962 DUM DUM Z 119 20.146 -22.183 0.517 1.00 23.60 Z O ATOM 963 DUM DUM Z 120 25.637 15.483 -8.730 1.00 28.77 Z O ATOM 964 DUM DUM Z 121 24.770 6.899 -26.122 1.00 18.94 Z O ATOM 965 DUM DUM Z 122 33.260 -5.659 -20.194 1.00 14.60 Z O ATOM 966 DUM DUM Z 123 39.621 7.291 -12.562 1.00 19.38 Z O ATOM 967 DUM DUM Z 124 10.536 -2.153 -22.503 1.00 20.73 Z O ATOM 968 DUM DUM Z 125 10.087 2.111 -5.600 1.00 19.38 Z O ATOM 969 DUM DUM Z 126 20.291 5.834 -25.724 1.00 20.35 Z O ATOM 970 DUM DUM Z 127 38.579 -0.285 -17.566 1.00 18.63 Z O ATOM 971 DUM DUM Z 128 34.253 -3.848 -4.575 1.00 26.34 Z O ATOM 972 DUM DUM Z 129 7.402 -14.852 5.232 1.00 26.42 Z O ATOM 973 DUM DUM Z 130 35.599 2.119 -20.102 1.00 21.14 Z O ATOM 974 DUM DUM Z 131 15.563 7.952 -0.005 1.00 20.88 Z O ATOM 975 DUM DUM Z 132 19.787 -10.877 -11.631 1.00 23.36 Z O ATOM 976 DUM DUM Z 133 21.452 -6.130 -21.343 1.00 23.60 Z O ATOM 977 DUM DUM Z 134 14.527 -14.520 -9.272 0.50 15.71 Z O ATOM 978 DUM DUM Z 135 11.337 9.689 -15.550 1.00 28.32 Z O ATOM 979 DUM DUM Z 136 19.361 15.755 -15.966 1.00 20.45 Z O ATOM 980 DUM DUM Z 137 3.571 -1.630 -4.022 1.00 25.08 Z O ATOM 981 DUM DUM Z 138 8.621 -8.073 -8.694 0.50 23.16 Z O ATOM 982 DUM DUM Z 139 29.687 -2.275 -22.391 1.00 24.15 Z O ATOM 983 DUM DUM Z 140 16.498 -15.268 7.212 1.00 25.70 Z O ATOM 984 DUM DUM Z 141 25.129 9.978 -18.443 1.00 26.60 Z O ATOM 985 DUM DUM Z 142 31.744 7.717 -14.637 1.00 28.56 Z O ATOM 986 DUM DUM Z 143 28.927 9.907 -24.492 1.00 24.62 Z O ATOM 987 DUM DUM Z 144 25.703 12.175 -26.208 1.00 21.57 Z O ATOM 988 DUM DUM Z 145 23.733 -3.220 0.835 1.00 31.52 Z O ATOM 989 DUM DUM Z 146 8.143 9.087 -11.527 1.00 24.72 Z O ATOM 990 DUM DUM Z 147 21.801 15.987 -12.580 1.00 21.14 Z O ATOM 991 DUM DUM Z 148 7.005 -3.045 3.006 1.00 19.01 Z O ATOM 992 DUM DUM Z 149 27.412 0.064 1.902 1.00 20.38 Z O ATOM 993 DUM DUM Z 150 18.484 14.555 -10.068 1.00 28.31 Z O ATOM 994 DUM DUM Z 151 19.438 8.839 1.944 1.00 24.42 Z O ATOM 995 DUM DUM Z 152 31.547 1.262 3.038 1.00 17.11 Z O ATOM 996 DUM DUM Z 153 36.444 2.731 -5.938 1.00 17.70 Z O ATOM 997 DUM DUM Z 154 5.890 -3.363 -1.214 1.00 28.79 Z O ATOM 998 DUM DUM Z 155 12.539 3.855 0.188 1.00 19.42 Z O ATOM 999 DUM DUM Z 156 16.538 -7.623 6.897 1.00 25.70 Z O ATOM 1000 DUM DUM Z 157 10.048 -18.801 -3.323 1.00 17.77 Z O ATOM 1001 DUM DUM Z 158 25.925 6.106 -3.055 1.00 20.85 Z O ATOM 1002 DUM DUM Z 159 17.603 -10.688 9.047 1.00 23.06 Z O ATOM 1003 DUM DUM Z 160 8.785 -3.112 -15.010 1.00 25.39 Z O ATOM 1004 DUM DUM Z 161 22.408 12.168 -24.339 1.00 24.70 Z O ATOM 1005 DUM DUM Z 162 30.152 7.116 -4.704 1.00 15.17 Z O ATOM 1006 DUM DUM Z 163 26.738 -5.866 -7.898 1.00 19.61 Z O ATOM 1007 DUM DUM Z 164 28.851 11.414 -15.909 1.00 14.09 Z O ATOM 1008 DUM DUM Z 165 30.756 1.460 1.400 1.00 19.90 Z O ATOM 1009 DUM DUM Z 166 23.438 -5.643 -6.294 1.00 18.10 Z O ATOM 1010 DUM DUM Z 167 16.942 17.275 -10.615 1.00 25.00 Z O ATOM 1011 DUM DUM Z 168 12.152 1.704 -23.199 1.00 20.19 Z O ATOM 1012 DUM DUM Z 169 24.508 0.946 4.956 1.00 25.31 Z O ATOM 1013 DUM DUM Z 170 11.497 -14.595 6.469 1.00 20.91 Z O ATOM 1014 DUM DUM Z 171 19.224 -1.321 6.583 1.00 27.57 Z O ATOM 1015 DUM DUM Z 172 6.113 1.949 -5.053 1.00 21.45 Z O ATOM 1016 DUM DUM Z 173 14.740 -9.847 5.121 1.00 18.81 Z O ATOM 1017 DUM DUM Z 174 9.538 4.550 -2.570 1.00 21.53 Z O ATOM 1018 DUM DUM Z 175 20.927 -5.067 6.870 1.00 26.55 Z O ATOM 1019 DUM DUM Z 176 22.330 9.589 -23.847 1.00 14.64 Z O ATOM 1020 DUM DUM Z 177 33.827 0.667 -4.169 1.00 14.05 Z O ATOM 1021 DUM DUM Z 178 26.215 10.213 0.617 1.00 28.05 Z O ATOM 1022 DUM DUM Z 179 11.659 -17.045 -4.554 1.00 21.27 Z O ATOM 1023 DUM DUM Z 180 28.325 14.608 -8.823 1.00 26.07 Z O ATOM 1024 DUM DUM Z 181 9.106 -5.514 6.532 1.00 22.76 Z O ATOM 1025 DUM DUM Z 182 17.449 -20.438 -2.264 1.00 20.53 Z O ATOM 1026 DUM DUM Z 183 15.107 -17.761 -5.142 1.00 28.98 Z O ATOM 1027 DUM DUM Z 184 25.153 4.085 4.156 1.00 25.10 Z O ATOM 1028 DUM DUM Z 185 31.402 11.903 -14.895 1.00 32.12 Z O ATOM 1029 DUM DUM Z 186 37.606 -1.556 -9.077 1.00 18.73 Z O ATOM 1030 DUM DUM Z 187 9.420 4.441 -16.995 1.00 27.39 Z O ATOM 1031 DUM DUM Z 188 5.047 -1.210 -13.602 1.00 20.50 Z O ATOM 1032 DUM DUM Z 189 31.060 12.881 -0.097 1.00 31.24 Z O ATOM 1033 DUM DUM Z 190 24.833 -14.858 -1.293 1.00 19.85 Z O ATOM 1034 DUM DUM Z 191 26.580 6.541 6.531 1.00 36.29 Z O ATOM 1035 DUM DUM Z 192 14.521 14.246 -5.908 1.00 23.80 Z O ATOM 1036 DUM DUM Z 193 18.972 17.093 -18.746 1.00 26.36 Z O ATOM 1037 DUM DUM Z 194 21.767 -16.980 5.118 1.00 21.57 Z O ATOM 1038 DUM DUM Z 195 24.124 -7.216 -2.590 1.00 31.25 Z O ATOM 1039 DUM DUM Z 196 12.768 3.871 -17.090 1.00 20.32 Z O ATOM 1040 DUM DUM Z 197 19.259 17.346 -15.403 1.00 24.51 Z O ATOM 1041 DUM DUM Z 198 40.870 3.263 -13.527 1.00 25.17 Z O ATOM 1042 DUM DUM Z 199 39.401 2.247 -18.056 1.00 22.40 Z O ATOM 1043 DUM DUM Z 200 20.779 14.891 -19.944 1.00 34.24 Z O ATOM 1044 DUM DUM Z 201 29.372 7.040 -25.843 1.00 24.80 Z O ATOM 1045 DUM DUM Z 202 6.400 5.234 -7.589 1.00 31.68 Z O ATOM 1046 DUM DUM Z 203 13.181 8.652 -4.205 1.00 30.64 Z O ATOM 1047 DUM DUM Z 204 20.511 -20.523 -0.356 1.00 30.18 Z O ATOM 1048 DUM DUM Z 205 34.870 -2.113 -6.255 1.00 21.41 Z O ATOM 1049 DUM DUM Z 206 35.306 7.737 -20.075 1.00 30.12 Z O ATOM 1050 DUM DUM Z 207 10.994 7.369 -3.430 1.00 25.36 Z O ATOM 1051 DUM DUM Z 208 6.409 -11.761 5.292 1.00 29.53 Z O ATOM 1052 DUM DUM Z 209 12.598 9.169 -6.969 1.00 24.75 Z O ATOM 1053 DUM DUM Z 210 12.501 11.007 -17.843 1.00 23.80 Z O ATOM 1054 DUM DUM Z 211 25.957 16.776 -5.218 1.00 23.39 Z O ATOM 1055 DUM DUM Z 212 24.046 -9.245 -4.328 1.00 22.77 Z O ATOM 1056 DUM DUM Z 213 21.086 -10.366 4.304 1.00 29.68 Z O ATOM 1057 DUM DUM Z 214 23.308 15.989 -14.296 1.00 29.51 Z O ATOM 1058 DUM DUM Z 215 26.195 7.458 -20.659 1.00 19.56 Z O ATOM 1059 DUM DUM Z 216 15.350 6.492 -23.923 1.00 38.85 Z O ATOM 1060 DUM DUM Z 217 17.052 13.898 -3.446 1.00 26.43 Z O ATOM 1061 DUM DUM Z 218 31.764 11.405 -18.892 1.00 29.56 Z O ATOM 1062 DUM DUM Z 219 19.845 15.967 -22.235 1.00 28.45 Z O ATOM 1063 DUM DUM Z 220 17.484 -3.209 11.571 1.00 27.30 Z O ATOM 1064 DUM DUM Z 221 18.933 15.720 -25.384 1.00 22.50 Z O ATOM 1065 DUM DUM Z 222 38.234 -2.680 -6.369 1.00 22.26 Z O ATOM 1066 DUM DUM Z 223 7.791 10.013 -9.069 1.00 29.10 Z O ATOM 1067 DUM DUM Z 224 18.405 -16.482 -9.773 1.00 24.16 Z O ATOM 1068 DUM DUM Z 225 17.548 12.538 -23.693 1.00 29.38 Z O ATOM 1069 DUM DUM Z 226 12.242 12.014 -7.107 1.00 24.70 Z O ATOM 1070 DUM DUM Z 227 17.774 -6.255 -23.226 1.00 20.76 Z O ATOM 1071 DUM DUM Z 228 7.117 -1.077 5.631 1.00 31.82 Z O ATOM 1072 DUM DUM Z 229 15.019 -18.203 -3.426 1.00 22.15 Z O ATOM 1073 DUM DUM Z 230 19.154 -19.153 -9.272 0.50 21.78 Z O ATOM 1074 DUM DUM Z 231 11.125 7.121 -19.868 1.00 26.95 Z O ATOM 1075 DUM DUM Z 232 19.127 11.933 -26.249 1.00 26.49 Z O ATOM 1076 DUM DUM Z 233 23.946 0.615 -23.832 1.00 14.17 Z O ATOM 1077 DUM DUM Z 234 22.790 10.941 -15.318 1.00 26.67 Z O ATOM 1078 DUM DUM Z 235 14.900 -5.498 5.987 1.00 25.21 Z O ATOM 1079 DUM DUM Z 236 13.048 8.751 -24.233 1.00 22.41 Z O ATOM 1080 DUM DUM Z 237 31.065 11.991 -21.211 1.00 30.30 Z O ATOM 1081 DUM DUM Z 238 17.951 -5.921 -20.787 1.00 22.44 Z O ATOM 1082 DUM DUM Z 239 24.231 -2.971 -22.226 1.00 31.76 Z O ATOM 1083 DUM DUM Z 240 37.703 8.188 -12.375 1.00 30.17 Z O ATOM 1084 DUM DUM Z 241 22.506 13.756 0.139 1.00 26.67 Z O ATOM 1085 DUM DUM Z 242 4.669 -2.330 -11.186 1.00 26.42 Z O ATOM 1086 DUM DUM Z 243 16.599 -0.605 7.899 1.00 29.32 Z O ATOM 1087 DUM DUM Z 244 29.757 4.186 3.096 1.00 21.97 Z O ATOM 1088 DUM DUM Z 245 4.745 -3.324 -5.831 1.00 26.71 Z O ATOM 1089 DUM DUM Z 246 31.895 -3.817 -3.183 1.00 23.63 Z O ATOM 1090 DUM DUM Z 247 21.486 5.063 4.552 1.00 24.85 Z O ATOM 1091 DUM DUM Z 248 10.563 2.715 -21.621 1.00 29.49 Z O ATOM 1092 DUM DUM Z 249 25.243 14.180 -22.126 1.00 24.15 Z O ATOM 1093 DUM DUM Z 250 21.005 16.150 -23.607 1.00 33.16 Z O ATOM 1094 DUM DUM Z 251 18.047 12.243 0.223 1.00 34.44 Z O ATOM 1095 DUM DUM Z 252 28.886 1.376 -24.365 1.00 31.42 Z O ATOM 1096 DUM DUM Z 253 26.832 -15.433 1.749 1.00 27.33 Z O ATOM 1097 DUM DUM Z 254 4.233 6.613 -13.356 1.00 31.69 Z O ATOM 1098 DUM DUM Z 255 34.095 -5.949 -4.782 1.00 24.75 Z O ATOM 1099 DUM DUM Z 256 28.181 5.265 -24.861 1.00 31.65 Z O ATOM 1100 DUM DUM Z 257 5.382 1.800 -12.908 1.00 27.14 Z O ATOM 1101 DUM DUM Z 258 10.312 6.578 -13.861 1.00 21.64 Z O ATOM 1102 DUM DUM Z 259 10.244 -18.432 2.843 1.00 27.01 Z O ATOM 1103 DUM DUM Z 260 5.677 7.548 -9.444 1.00 31.76 Z O ATOM 1104 DUM DUM Z 261 19.225 17.082 -19.969 1.00 32.01 Z O ATOM 1105 DUM DUM Z 262 15.317 -18.450 -6.716 1.00 26.68 Z O ATOM 1106 DUM DUM Z 263 19.642 -6.348 0.279 1.00 51.69 Z O ATOM 1107 DUM DUM Z 264 28.846 -4.038 -18.835 1.00 21.43 Z O ATOM 1108 DUM DUM Z 265 34.091 -6.201 -8.985 1.00 22.00 Z O ATOM 1109 DUM DUM Z 266 18.179 -20.854 2.629 1.00 25.33 Z O ATOM 1110 DUM DUM Z 267 20.608 16.781 -9.312 1.00 25.82 Z O ATOM 1111 DUM DUM Z 268 24.849 6.506 -24.702 1.00 20.94 Z O ATOM 1112 DUM DUM Z 269 23.046 4.472 -23.792 1.00 30.85 Z O ATOM 1113 DUM DUM Z 270 6.625 -4.524 -15.825 1.00 28.79 Z O ATOM 1114 DUM DUM Z 271 4.218 -2.617 -15.826 1.00 32.56 Z O ATOM 1115 DUM DUM Z 272 28.293 -1.569 1.129 1.00 32.05 Z O ATOM 1116 DUM DUM Z 273 11.275 14.162 -14.822 1.00 28.05 Z O ATOM 1117 DUM DUM Z 274 17.637 -7.103 5.189 1.00 29.13 Z O ATOM 1118 DUM DUM Z 275 11.287 2.553 5.826 1.00 26.53 Z O ATOM 1119 DUM DUM Z 276 19.619 -7.751 7.660 1.00 34.50 Z O ATOM 1120 DUM DUM Z 277 19.343 -18.824 3.544 1.00 32.50 Z O ATOM 1121 DUM DUM Z 278 22.512 -6.158 12.496 1.00 24.99 Z O ATOM 1122 DUM DUM Z 279 27.190 3.296 -13.849 1.00 42.95 Z O ATOM 1123 DUM DUM Z 280 12.660 -10.624 7.439 1.00 27.89 Z O ATOM 1124 DUM DUM Z 281 28.270 -7.183 -14.310 1.00 50.27 Z O ATOM 1125 DUM DUM Z 282 32.159 10.312 -24.328 1.00 31.07 Z O ATOM 1126 DUM DUM Z 283 4.615 0.968 -8.264 1.00 30.17 Z O ATOM 1127 DUM DUM Z 284 40.627 -0.381 -11.454 1.00 28.92 Z O ATOM 1128 DUM DUM Z 285 30.006 13.761 -9.833 1.00 42.95 Z O ATOM 1129 DUM DUM Z 286 14.052 -0.678 -11.088 1.00 20.49 Z O ATOM 1130 DUM DUM Z 287 16.644 2.135 -12.266 1.00 37.42 Z O ATOM 1131 DUM DUM Z 288 26.537 2.703 -20.579 1.00 21.49 Z O ATOM 1132 DUM DUM Z 289 12.647 -8.976 2.381 1.00 33.68 Z O ATOM 1133 DUM DUM Z 290 20.999 -16.079 2.578 1.00 25.06 Z O ATOM 1134 DUM DUM Z 291 31.153 -1.134 -25.494 1.00 40.00 Z O ATOM 1135 DUM DUM Z 292 5.456 -10.162 2.628 1.00 25.52 Z O ATOM 1136 DUM DUM Z 293 22.037 13.874 -24.097 1.00 22.35 Z O ATOM 1137 DUM DUM Z 294 15.903 -17.268 1.870 1.00 29.57 Z O ATOM 1138 DUM DUM Z 295 15.773 -3.359 10.921 1.00 31.42 Z O ATOM 1139 DUM DUM Z 296 20.203 17.967 -16.613 1.00 25.33 Z O ATOM 1140 DUM DUM Z 297 16.498 4.861 2.250 1.00 37.25 Z O ATOM 1141 DUM DUM Z 298 30.615 0.066 3.214 1.00 28.47 Z O ATOM 1142 DUM DUM Z 299 34.969 -2.645 -4.728 1.00 24.93 Z O ATOM 1143 DUM DUM Z 300 26.570 12.086 -25.362 1.00 23.55 Z O ATOM 1144 DUM DUM Z 301 24.126 11.112 3.527 1.00 29.72 Z O ATOM 1145 DUM DUM Z 302 21.190 -8.984 -20.235 1.00 29.41 Z O ATOM 1146 DUM DUM Z 303 24.790 9.088 -24.312 1.00 48.02 Z O ATOM 1147 DUM DUM Z 304 13.464 16.411 -10.255 1.00 32.00 Z O END