HEADER ---- 20-JAN-23 XXXX TITLE MOLREP --- /Vers 11.9.02; 28.02.2022/ COMPND MOLREP --- /Vers 11.9.02; 28.02.2022/ REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0403 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) : 30.88 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) : 0.35012 REMARK 3 R VALUE (WORKING SET) : 0.35048 REMARK 3 FREE R VALUE : 0.34315 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) : 1192 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.36 REMARK 3 BIN R VALUE (WORKING SET) : 0.370 REMARK 3 BIN FREE R VALUE SET COUNT : 55 REMARK 3 BIN FREE R VALUE : 0.377 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 ALL ATOMS : 839 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 10.794 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.33 REMARK 3 B22 (A**2) : 0.33 REMARK 3 B33 (A**2) : -0.67 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): 0.141 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.123 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.107 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.880 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.817 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.830 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 850 ; 0.002 ; 0.011 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1144 ; 0.946 ; 1.641 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 119 ; 6.104 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 1 ; 2.449 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 121 ;11.809 ;10.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 126 ; 0.083 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 623 ; 0.004 ; 0.020 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 479 ; 0.402 ; 1.193 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 597 ; 0.731 ; 2.146 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 371 ; 0.462 ; 1.204 REMARK 3 LONG RANGE B REFINED ATOMS (A**2) : 3643 ; 1.887 ; 14.06 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 U VALUES : REFINED INDIVIDUALLY REMARK 3 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 LEU A 3 -0.068 -15.063 -11.115 1.00 10.46 AA-- N ATOM 2 CA LEU A 3 1.337 -15.300 -11.546 1.00 10.62 AA-- C ATOM 3 C LEU A 3 1.413 -16.460 -12.535 1.00 10.55 AA-- C ATOM 4 O LEU A 3 0.531 -17.317 -12.586 1.00 10.44 AA-- O ATOM 5 CB LEU A 3 2.212 -15.570 -10.315 1.00 10.73 AA-- C ATOM 6 CG LEU A 3 2.643 -14.319 -9.549 1.00 10.96 AA-- C ATOM 7 CD1 LEU A 3 1.929 -14.202 -8.214 1.00 10.83 AA-- C ATOM 8 CD2 LEU A 3 4.153 -14.251 -9.376 1.00 11.12 AA-- C ATOM 9 N LYS A 4 2.487 -16.456 -13.334 1.00 10.67 AA-- N ATOM 10 CA LYS A 4 2.870 -17.609 -14.131 1.00 10.55 AA-- C ATOM 11 C LYS A 4 3.649 -18.567 -13.233 1.00 10.54 AA-- C ATOM 12 O LYS A 4 4.131 -18.167 -12.176 1.00 10.47 AA-- O ATOM 13 N LYS A 5 3.772 -19.821 -13.683 1.00 10.70 AA-- N ATOM 14 CA LYS A 5 4.379 -20.904 -12.924 1.00 10.64 AA-- C ATOM 15 C LYS A 5 5.814 -20.551 -12.527 1.00 10.44 AA-- C ATOM 16 O LYS A 5 6.160 -20.571 -11.345 1.00 10.25 AA-- O ATOM 17 CB LYS A 5 4.313 -22.185 -13.761 1.00 10.98 AA-- C ATOM 18 CG LYS A 5 4.876 -23.440 -13.111 1.00 11.38 AA-- C ATOM 19 CD LYS A 5 4.684 -24.685 -13.961 1.00 11.49 AA-- C ATOM 20 CE LYS A 5 5.440 -24.668 -15.274 1.00 11.47 AA-- C ATOM 21 NZ LYS A 5 6.898 -24.857 -15.072 1.00 11.89 AA-- N ATOM 22 N GLN A 6 6.642 -20.234 -13.529 1.00 10.30 AA-- N ATOM 23 CA GLN A 6 8.053 -19.955 -13.309 1.00 10.13 AA-- C ATOM 24 C GLN A 6 8.226 -18.591 -12.643 1.00 10.32 AA-- C ATOM 25 O GLN A 6 9.188 -18.380 -11.910 1.00 10.49 AA-- O ATOM 26 CB GLN A 6 8.839 -20.045 -14.621 1.00 9.73 AA-- C ATOM 27 CG GLN A 6 9.042 -21.472 -15.121 1.00 8.91 AA-- C ATOM 28 N GLU A 7 7.294 -17.670 -12.911 1.00 10.22 AA-- N ATOM 29 CA GLU A 7 7.333 -16.340 -12.322 1.00 10.32 AA-- C ATOM 30 C GLU A 7 7.167 -16.444 -10.806 1.00 10.10 AA-- C ATOM 31 O GLU A 7 7.885 -15.786 -10.054 1.00 10.12 AA-- O ATOM 32 CB GLU A 7 6.258 -15.453 -12.955 1.00 10.72 AA-- C ATOM 33 CG GLU A 7 6.296 -14.009 -12.485 1.00 11.25 AA-- C ATOM 34 CD GLU A 7 5.085 -13.179 -12.879 1.00 11.66 AA-- C ATOM 35 OE1 GLU A 7 4.106 -13.758 -13.398 1.00 12.15 AA-- O ATOM 36 OE2 GLU A 7 5.129 -11.948 -12.684 1.00 11.90 AA-- O ATOM 37 N LEU A 8 6.224 -17.286 -10.368 1.00 9.98 AA-- N ATOM 38 CA LEU A 8 5.976 -17.468 -8.947 1.00 9.77 AA-- C ATOM 39 C LEU A 8 7.140 -18.214 -8.302 1.00 9.88 AA-- C ATOM 40 O LEU A 8 7.524 -17.895 -7.182 1.00 9.68 AA-- O ATOM 41 CB LEU A 8 4.647 -18.198 -8.728 1.00 9.74 AA-- C ATOM 42 CG LEU A 8 4.298 -18.470 -7.266 1.00 9.79 AA-- C ATOM 43 CD1 LEU A 8 4.030 -17.171 -6.520 1.00 9.69 AA-- C ATOM 44 CD2 LEU A 8 3.104 -19.402 -7.158 1.00 9.72 AA-- C ATOM 45 N CYS A 9 7.693 -19.198 -9.020 1.00 9.96 AA-- N ATOM 46 CA CYS A 9 8.866 -19.910 -8.541 1.00 10.15 AA-- C ATOM 47 C CYS A 9 9.979 -18.910 -8.227 1.00 10.31 AA-- C ATOM 48 O CYS A 9 10.596 -18.981 -7.167 1.00 10.13 AA-- O ATOM 49 CB CYS A 9 9.338 -20.946 -9.555 1.00 10.16 AA-- C ATOM 50 N LYS A 10 10.195 -17.956 -9.140 1.00 10.60 AA-- N ATOM 51 CA LYS A 10 11.255 -16.969 -9.003 1.00 10.76 AA-- C ATOM 52 C LYS A 10 10.968 -16.059 -7.812 1.00 10.80 AA-- C ATOM 53 O LYS A 10 11.876 -15.723 -7.058 1.00 11.11 AA-- O ATOM 54 CB LYS A 10 11.407 -16.163 -10.296 1.00 10.86 AA-- C ATOM 55 N ASN A 11 9.699 -15.663 -7.656 1.00 10.60 AA-- N ATOM 56 CA ASN A 11 9.286 -14.760 -6.593 1.00 10.37 AA-- C ATOM 57 C ASN A 11 9.436 -15.448 -5.237 1.00 10.44 AA-- C ATOM 58 O ASN A 11 9.851 -14.822 -4.265 1.00 10.37 AA-- O ATOM 59 CB ASN A 11 7.872 -14.222 -6.833 1.00 10.28 AA-- C ATOM 60 N LEU A 12 9.104 -16.744 -5.188 1.00 10.39 AA-- N ATOM 61 CA LEU A 12 9.181 -17.523 -3.962 1.00 10.57 AA-- C ATOM 62 C LEU A 12 10.644 -17.699 -3.554 1.00 11.26 AA-- C ATOM 63 O LEU A 12 10.979 -17.549 -2.382 1.00 11.50 AA-- O ATOM 64 CB LEU A 12 8.463 -18.864 -4.165 1.00 9.92 AA-- C ATOM 65 CG LEU A 12 6.935 -18.801 -4.183 1.00 9.23 AA-- C ATOM 66 CD1 LEU A 12 6.320 -20.191 -4.340 1.00 8.02 AA-- C ATOM 67 N VAL A 13 11.505 -17.978 -4.541 1.00 11.83 AA-- N ATOM 68 CA VAL A 13 12.931 -18.176 -4.334 1.00 12.48 AA-- C ATOM 69 C VAL A 13 13.544 -16.902 -3.749 1.00 13.10 AA-- C ATOM 70 O VAL A 13 14.272 -16.961 -2.760 1.00 13.30 AA-- O ATOM 71 CB VAL A 13 13.629 -18.614 -5.639 1.00 12.37 AA-- C ATOM 72 CG1 VAL A 13 15.140 -18.707 -5.478 1.00 12.38 AA-- C ATOM 73 N ALA A 14 13.226 -15.754 -4.359 1.00 13.73 AA-- N ATOM 74 CA ALA A 14 13.732 -14.463 -3.917 1.00 14.27 AA-- C ATOM 75 C ALA A 14 13.341 -14.217 -2.461 1.00 14.89 AA-- C ATOM 76 O ALA A 14 14.089 -13.585 -1.718 1.00 15.77 AA-- O ATOM 77 CB ALA A 14 13.224 -13.370 -4.827 1.00 14.69 AA-- C ATOM 78 N GLN A 15 12.179 -14.751 -2.062 1.00 14.76 AA-- N ATOM 79 CA GLN A 15 11.630 -14.512 -0.735 1.00 15.02 AA-- C ATOM 80 C GLN A 15 12.053 -15.606 0.250 1.00 15.25 AA-- C ATOM 81 O GLN A 15 11.579 -15.623 1.384 1.00 15.43 AA-- O ATOM 82 CB GLN A 15 10.113 -14.301 -0.796 1.00 14.92 AA-- C ATOM 83 CG GLN A 15 9.685 -12.886 -1.174 1.00 14.90 AA-- C ATOM 84 CD GLN A 15 9.727 -12.599 -2.656 1.00 14.54 AA-- C ATOM 85 N GLY A 16 12.947 -16.506 -0.187 1.00 15.55 AA-- N ATOM 86 CA GLY A 16 13.590 -17.484 0.684 1.00 15.91 AA-- C ATOM 87 C GLY A 16 12.730 -18.709 1.004 1.00 16.18 AA-- C ATOM 88 O GLY A 16 12.920 -19.348 2.042 1.00 15.97 AA-- O ATOM 89 N MET A 17 11.806 -19.057 0.099 1.00 16.51 AA-- N ATOM 90 CA MET A 17 10.915 -20.186 0.326 1.00 17.02 AA-- C ATOM 91 C MET A 17 11.529 -21.487 -0.191 1.00 16.73 AA-- C ATOM 92 O MET A 17 11.166 -22.567 0.269 1.00 16.53 AA-- O ATOM 93 CB MET A 17 9.563 -19.971 -0.358 1.00 18.19 AA-- C ATOM 94 CG MET A 17 8.492 -19.424 0.560 1.00 20.08 AA-- C ATOM 95 SD MET A 17 6.863 -19.624 -0.196 1.00 22.95 AA-- S ATOM 96 N ASN A 18 12.429 -21.386 -1.173 1.00 16.30 AA-- N ATOM 97 CA ASN A 18 13.056 -22.571 -1.733 1.00 16.09 AA-- C ATOM 98 C ASN A 18 13.784 -23.324 -0.621 1.00 15.35 AA-- C ATOM 99 O ASN A 18 14.714 -22.800 -0.010 1.00 15.54 AA-- O ATOM 100 CB ASN A 18 13.938 -22.236 -2.938 1.00 17.07 AA-- C ATOM 101 CG ASN A 18 15.149 -21.404 -2.584 1.00 17.85 AA-- C ATOM 102 OD1 ASN A 18 16.278 -21.831 -2.812 1.00 18.90 AA-- O ATOM 103 ND2 ASN A 18 14.928 -20.227 -2.018 1.00 17.94 AA-- N ATOM 104 N GLY A 19 13.306 -24.541 -0.341 1.00 14.35 AA-- N ATOM 105 CA GLY A 19 13.921 -25.423 0.638 1.00 13.41 AA-- C ATOM 106 C GLY A 19 13.720 -24.964 2.081 1.00 12.68 AA-- C ATOM 107 O GLY A 19 14.391 -25.466 2.982 1.00 12.68 AA-- O ATOM 108 N TYR A 20 12.796 -24.019 2.301 1.00 12.20 AA-- N ATOM 109 CA TYR A 20 12.467 -23.603 3.655 1.00 11.73 AA-- C ATOM 110 C TYR A 20 11.811 -24.778 4.378 1.00 11.56 AA-- C ATOM 111 O TYR A 20 10.881 -25.384 3.853 1.00 11.40 AA-- O ATOM 112 CB TYR A 20 11.562 -22.366 3.654 1.00 11.71 AA-- C ATOM 113 CG TYR A 20 11.384 -21.745 5.016 1.00 11.57 AA-- C ATOM 114 CD1 TYR A 20 12.265 -20.784 5.485 1.00 11.56 AA-- C ATOM 115 CD2 TYR A 20 10.369 -22.165 5.860 1.00 11.40 AA-- C ATOM 116 CE1 TYR A 20 12.122 -20.229 6.747 1.00 11.41 AA-- C ATOM 117 CE2 TYR A 20 10.220 -21.629 7.129 1.00 11.26 AA-- C ATOM 118 CZ TYR A 20 11.097 -20.656 7.573 1.00 11.36 AA-- C ATOM 119 OH TYR A 20 10.931 -20.117 8.825 1.00 11.31 AA-- O ATOM 120 N GLN A 21 12.317 -25.101 5.576 1.00 11.43 AA-- N ATOM 121 CA GLN A 21 11.843 -26.232 6.363 1.00 11.24 AA-- C ATOM 122 C GLN A 21 11.953 -27.532 5.564 1.00 11.11 AA-- C ATOM 123 O GLN A 21 11.223 -28.484 5.830 1.00 11.08 AA-- O ATOM 124 CB GLN A 21 10.417 -25.994 6.868 1.00 11.35 AA-- C ATOM 125 CG GLN A 21 10.328 -25.017 8.032 1.00 11.66 AA-- C ATOM 126 CD GLN A 21 10.863 -25.606 9.315 1.00 11.71 AA-- C ATOM 127 N HIS A 22 12.865 -27.550 4.583 1.00 10.97 AA-- N ATOM 128 CA HIS A 22 13.221 -28.752 3.845 1.00 10.89 AA-- C ATOM 129 C HIS A 22 12.250 -29.008 2.694 1.00 10.83 AA-- C ATOM 130 O HIS A 22 12.284 -30.077 2.086 1.00 11.03 AA-- O ATOM 131 N ILE A 23 11.398 -28.022 2.388 1.00 10.72 AA-- N ATOM 132 CA ILE A 23 10.428 -28.171 1.315 1.00 10.59 AA-- C ATOM 133 C ILE A 23 10.955 -27.475 0.063 1.00 10.75 AA-- C ATOM 134 O ILE A 23 11.141 -26.257 0.048 1.00 10.88 AA-- O ATOM 135 CB ILE A 23 9.045 -27.639 1.745 1.00 10.45 AA-- C ATOM 136 CG1 ILE A 23 8.391 -28.531 2.804 1.00 10.44 AA-- C ATOM 137 CD1 ILE A 23 7.692 -29.746 2.243 1.00 10.45 AA-- C ATOM 138 N THR A 24 11.176 -28.277 -0.985 1.00 10.92 AA-- N ATOM 139 CA THR A 24 11.701 -27.791 -2.249 1.00 11.25 AA-- C ATOM 140 C THR A 24 10.707 -26.816 -2.873 1.00 11.26 AA-- C ATOM 141 O THR A 24 9.521 -26.842 -2.545 1.00 11.27 AA-- O ATOM 142 CB THR A 24 12.013 -28.958 -3.192 1.00 11.43 AA-- C ATOM 143 OG1 THR A 24 10.767 -29.569 -3.526 1.00 11.83 AA-- O ATOM 144 N LEU A 25 11.217 -25.971 -3.777 1.00 11.36 AA-- N ATOM 145 CA LEU A 25 10.456 -24.919 -4.431 1.00 11.23 AA-- C ATOM 146 C LEU A 25 9.248 -25.513 -5.153 1.00 10.88 AA-- C ATOM 147 O LEU A 25 8.178 -24.909 -5.168 1.00 10.82 AA-- O ATOM 148 CB LEU A 25 11.388 -24.181 -5.399 1.00 12.06 AA-- C ATOM 149 CG LEU A 25 10.998 -22.746 -5.747 1.00 12.48 AA-- C ATOM 150 CD1 LEU A 25 10.781 -21.925 -4.484 1.00 12.81 AA-- C ATOM 151 CD2 LEU A 25 12.075 -22.096 -6.603 1.00 12.84 AA-- C ATOM 152 N PRO A 26 9.375 -26.719 -5.753 1.00 10.34 AA-- N ATOM 153 CA PRO A 26 8.246 -27.342 -6.449 1.00 9.73 AA-- C ATOM 154 C PRO A 26 7.029 -27.594 -5.558 1.00 9.21 AA-- C ATOM 155 O PRO A 26 5.899 -27.554 -6.034 1.00 9.02 AA-- O ATOM 156 N ASN A 27 7.274 -27.858 -4.270 1.00 9.00 AA-- N ATOM 157 CA ASN A 27 6.218 -28.101 -3.299 1.00 8.70 AA-- C ATOM 158 C ASN A 27 5.386 -26.840 -3.090 1.00 8.44 AA-- C ATOM 159 O ASN A 27 4.161 -26.906 -3.035 1.00 8.20 AA-- O ATOM 160 CB ASN A 27 6.779 -28.581 -1.961 1.00 8.78 AA-- C ATOM 161 CG ASN A 27 7.217 -30.026 -2.008 1.00 8.73 AA-- C ATOM 162 OD1 ASN A 27 6.384 -30.929 -1.942 1.00 8.84 AA-- O ATOM 163 ND2 ASN A 27 8.518 -30.246 -2.110 1.00 8.79 AA-- N ATOM 164 N TRP A 28 6.075 -25.701 -2.959 1.00 8.33 AA-- N ATOM 165 CA TRP A 28 5.440 -24.415 -2.731 1.00 8.30 AA-- C ATOM 166 C TRP A 28 4.656 -23.976 -3.964 1.00 8.08 AA-- C ATOM 167 O TRP A 28 3.554 -23.453 -3.834 1.00 7.96 AA-- O ATOM 168 CB TRP A 28 6.482 -23.371 -2.323 1.00 8.28 AA-- C ATOM 169 CG TRP A 28 7.111 -23.671 -1.001 1.00 8.48 AA-- C ATOM 170 CD1 TRP A 28 8.375 -24.130 -0.777 1.00 8.65 AA-- C ATOM 171 CD2 TRP A 28 6.502 -23.519 0.292 1.00 8.56 AA-- C ATOM 172 NE1 TRP A 28 8.591 -24.281 0.565 1.00 8.64 AA-- N ATOM 173 CE2 TRP A 28 7.462 -23.914 1.247 1.00 8.54 AA-- C ATOM 174 CE3 TRP A 28 5.245 -23.088 0.733 1.00 8.70 AA-- C ATOM 175 CZ2 TRP A 28 7.203 -23.893 2.617 1.00 8.65 AA-- C ATOM 176 CZ3 TRP A 28 4.992 -23.064 2.087 1.00 8.67 AA-- C ATOM 177 CH2 TRP A 28 5.959 -23.461 3.013 1.00 8.58 AA-- C ATOM 178 N VAL A 29 5.233 -24.195 -5.151 1.00 8.11 AA-- N ATOM 179 CA VAL A 29 4.584 -23.828 -6.400 1.00 8.16 AA-- C ATOM 180 C VAL A 29 3.358 -24.715 -6.604 1.00 8.24 AA-- C ATOM 181 O VAL A 29 2.305 -24.232 -7.010 1.00 8.06 AA-- O ATOM 182 CB VAL A 29 5.565 -23.874 -7.590 1.00 8.20 AA-- C ATOM 183 CG1 VAL A 29 4.865 -23.719 -8.933 1.00 8.19 AA-- C ATOM 184 CG2 VAL A 29 6.659 -22.828 -7.435 1.00 8.32 AA-- C ATOM 185 N CYS A 30 3.501 -26.010 -6.295 1.00 8.40 AA-- N ATOM 186 CA CYS A 30 2.406 -26.959 -6.411 1.00 8.49 AA-- C ATOM 187 C CYS A 30 1.268 -26.558 -5.475 1.00 8.42 AA-- C ATOM 188 O CYS A 30 0.103 -26.597 -5.865 1.00 8.30 AA-- O ATOM 189 CB CYS A 30 2.879 -28.376 -6.103 1.00 8.73 AA-- C ATOM 190 SG CYS A 30 1.618 -29.643 -6.404 1.00 9.51 AA-- S ATOM 191 N THR A 31 1.615 -26.155 -4.246 1.00 8.31 AA-- N ATOM 192 CA THR A 31 0.617 -25.802 -3.246 1.00 8.37 AA-- C ATOM 193 C THR A 31 -0.160 -24.565 -3.692 1.00 8.44 AA-- C ATOM 194 O THR A 31 -1.385 -24.524 -3.572 1.00 8.33 AA-- O ATOM 195 CB THR A 31 1.250 -25.653 -1.857 1.00 8.32 AA-- C ATOM 196 N ALA A 32 0.558 -23.571 -4.229 1.00 8.41 AA-- N ATOM 197 CA ALA A 32 -0.055 -22.342 -4.709 1.00 8.33 AA-- C ATOM 198 C ALA A 32 -0.999 -22.630 -5.876 1.00 8.40 AA-- C ATOM 199 O ALA A 32 -2.071 -22.036 -5.969 1.00 8.39 AA-- O ATOM 200 CB ALA A 32 1.011 -21.343 -5.085 1.00 8.12 AA-- C ATOM 201 N PHE A 33 -0.590 -23.543 -6.766 1.00 8.63 AA-- N ATOM 202 CA PHE A 33 -1.400 -23.918 -7.913 1.00 8.95 AA-- C ATOM 203 C PHE A 33 -2.777 -24.385 -7.450 1.00 9.04 AA-- C ATOM 204 O PHE A 33 -3.798 -23.924 -7.954 1.00 9.17 AA-- O ATOM 205 CB PHE A 33 -0.717 -25.016 -8.732 1.00 9.11 AA-- C ATOM 206 CG PHE A 33 -1.527 -25.523 -9.899 1.00 9.30 AA-- C ATOM 207 CD1 PHE A 33 -1.879 -24.678 -10.941 1.00 9.62 AA-- C ATOM 208 N HIS A 34 -2.790 -25.295 -6.471 1.00 9.36 AA-- N ATOM 209 CA HIS A 34 -4.015 -25.977 -6.089 1.00 9.30 AA-- C ATOM 210 C HIS A 34 -4.786 -25.179 -5.040 1.00 9.44 AA-- C ATOM 211 O HIS A 34 -5.984 -25.400 -4.854 1.00 9.76 AA-- O ATOM 212 CB HIS A 34 -3.718 -27.436 -5.725 1.00 9.35 AA-- C ATOM 213 CG HIS A 34 -3.217 -28.207 -6.900 1.00 9.55 AA-- C ATOM 214 ND1 HIS A 34 -3.902 -28.264 -8.096 1.00 9.70 AA-- N ATOM 215 CD2 HIS A 34 -2.100 -28.923 -7.074 1.00 9.53 AA-- C ATOM 216 N GLU A 35 -4.097 -24.247 -4.373 1.00 9.21 AA-- N ATOM 217 CA GLU A 35 -4.744 -23.399 -3.385 1.00 9.05 AA-- C ATOM 218 C GLU A 35 -5.450 -22.225 -4.063 1.00 9.15 AA-- C ATOM 219 O GLU A 35 -6.589 -21.917 -3.718 1.00 9.02 AA-- O ATOM 220 CB GLU A 35 -3.753 -22.946 -2.309 1.00 8.96 AA-- C ATOM 221 CG GLU A 35 -3.356 -24.036 -1.323 1.00 8.71 AA-- C ATOM 222 CD GLU A 35 -4.445 -24.600 -0.421 1.00 8.75 AA-- C ATOM 223 OE1 GLU A 35 -5.577 -24.070 -0.443 1.00 8.92 AA-- O ATOM 224 OE2 GLU A 35 -4.162 -25.587 0.295 1.00 8.71 AA-- O ATOM 225 N SER A 36 -4.780 -21.582 -5.032 1.00 9.27 AA-- N ATOM 226 CA SER A 36 -5.248 -20.297 -5.532 1.00 9.39 AA-- C ATOM 227 C SER A 36 -5.205 -20.212 -7.057 1.00 9.73 AA-- C ATOM 228 O SER A 36 -5.668 -19.220 -7.621 1.00 9.83 AA-- O ATOM 229 CB SER A 36 -4.432 -19.189 -4.936 1.00 9.33 AA-- C ATOM 230 OG SER A 36 -3.110 -19.237 -5.454 1.00 9.12 AA-- O ATOM 231 N SER A 37 -4.620 -21.228 -7.706 1.00 9.92 AA-- N ATOM 232 CA SER A 37 -4.316 -21.202 -9.133 1.00 10.16 AA-- C ATOM 233 C SER A 37 -3.476 -19.972 -9.477 1.00 9.81 AA-- C ATOM 234 O SER A 37 -3.661 -19.354 -10.525 1.00 10.02 AA-- O ATOM 235 CB SER A 37 -5.561 -21.302 -9.988 1.00 10.66 AA-- C ATOM 236 OG SER A 37 -5.226 -21.672 -11.322 1.00 11.65 AA-- O ATOM 237 N TYR A 38 -2.565 -19.630 -8.557 1.00 9.64 AA-- N ATOM 238 CA TYR A 38 -1.546 -18.603 -8.723 1.00 9.36 AA-- C ATOM 239 C TYR A 38 -2.130 -17.193 -8.621 1.00 9.20 AA-- C ATOM 240 O TYR A 38 -1.469 -16.233 -9.016 1.00 9.19 AA-- O ATOM 241 CB TYR A 38 -0.759 -18.801 -10.023 1.00 9.35 AA-- C ATOM 242 CG TYR A 38 -0.059 -20.129 -10.183 1.00 9.35 AA-- C ATOM 243 CD1 TYR A 38 0.606 -20.733 -9.124 1.00 9.41 AA-- C ATOM 244 CD2 TYR A 38 -0.031 -20.768 -11.412 1.00 9.47 AA-- C ATOM 245 CE1 TYR A 38 1.266 -21.943 -9.278 1.00 9.22 AA-- C ATOM 246 CE2 TYR A 38 0.627 -21.976 -11.583 1.00 9.42 AA-- C ATOM 247 CZ TYR A 38 1.278 -22.567 -10.513 1.00 9.29 AA-- C ATOM 248 N ASN A 39 -3.342 -17.069 -8.059 1.00 8.95 AA-- N ATOM 249 CA ASN A 39 -4.043 -15.792 -7.985 1.00 8.92 AA-- C ATOM 250 C ASN A 39 -3.905 -15.205 -6.582 1.00 8.81 AA-- C ATOM 251 O ASN A 39 -4.381 -15.784 -5.607 1.00 8.88 AA-- O ATOM 252 CB ASN A 39 -5.511 -15.932 -8.397 1.00 8.86 AA-- C ATOM 253 CG ASN A 39 -6.260 -14.618 -8.501 1.00 8.82 AA-- C ATOM 254 OD1 ASN A 39 -5.750 -13.559 -8.144 1.00 8.57 AA-- O ATOM 255 ND2 ASN A 39 -7.476 -14.673 -9.020 1.00 8.96 AA-- N ATOM 256 N THR A 40 -3.281 -14.024 -6.502 1.00 8.85 AA-- N ATOM 257 CA THR A 40 -2.981 -13.401 -5.224 1.00 8.92 AA-- C ATOM 258 C THR A 40 -4.268 -12.944 -4.540 1.00 8.86 AA-- C ATOM 259 O THR A 40 -4.293 -12.794 -3.322 1.00 8.94 AA-- O ATOM 260 CB THR A 40 -2.017 -12.216 -5.374 1.00 8.98 AA-- C ATOM 261 OG1 THR A 40 -2.630 -11.218 -6.193 1.00 9.10 AA-- O ATOM 262 CG2 THR A 40 -0.670 -12.608 -5.942 1.00 8.95 AA-- C ATOM 263 N ARG A 41 -5.326 -12.734 -5.335 1.00 8.94 AA-- N ATOM 264 CA ARG A 41 -6.528 -12.071 -4.850 1.00 8.98 AA-- C ATOM 265 C ARG A 41 -7.574 -13.091 -4.401 1.00 8.94 AA-- C ATOM 266 O ARG A 41 -8.675 -12.704 -4.008 1.00 8.99 AA-- O ATOM 267 CB ARG A 41 -7.113 -11.151 -5.929 1.00 9.09 AA-- C ATOM 268 CG ARG A 41 -6.270 -9.923 -6.240 1.00 9.01 AA-- C ATOM 269 CD ARG A 41 -7.040 -8.891 -7.042 1.00 9.25 AA-- C ATOM 270 N ALA A 42 -7.226 -14.385 -4.449 1.00 8.96 AA-- N ATOM 271 CA ALA A 42 -8.168 -15.460 -4.165 1.00 9.13 AA-- C ATOM 272 C ALA A 42 -8.623 -15.422 -2.705 1.00 9.31 AA-- C ATOM 273 O ALA A 42 -7.804 -15.343 -1.792 1.00 9.09 AA-- O ATOM 274 CB ALA A 42 -7.545 -16.794 -4.502 1.00 9.02 AA-- C ATOM 275 N THR A 43 -9.943 -15.479 -2.497 1.00 9.70 AA-- N ATOM 276 CA THR A 43 -10.512 -15.668 -1.172 1.00 10.30 AA-- C ATOM 277 C THR A 43 -11.532 -16.799 -1.233 1.00 10.74 AA-- C ATOM 278 O THR A 43 -12.218 -16.957 -2.240 1.00 10.99 AA-- O ATOM 279 CB THR A 43 -11.199 -14.400 -0.646 1.00 10.31 AA-- C ATOM 280 OG1 THR A 43 -12.214 -14.019 -1.575 1.00 10.41 AA-- O ATOM 281 CG2 THR A 43 -10.253 -13.243 -0.422 1.00 10.36 AA-- C ATOM 282 N ASN A 44 -11.624 -17.574 -0.147 1.00 11.25 AA-- N ATOM 283 CA ASN A 44 -12.629 -18.619 -0.030 1.00 11.67 AA-- C ATOM 284 C ASN A 44 -13.086 -18.717 1.420 1.00 11.78 AA-- C ATOM 285 O ASN A 44 -12.262 -18.821 2.326 1.00 11.39 AA-- O ATOM 286 CB ASN A 44 -12.133 -19.967 -0.560 1.00 12.19 AA-- C ATOM 287 CG ASN A 44 -11.951 -19.959 -2.062 1.00 12.42 AA-- C ATOM 288 OD1 ASN A 44 -12.924 -19.976 -2.814 1.00 12.86 AA-- O ATOM 289 ND2 ASN A 44 -10.706 -19.900 -2.503 1.00 12.74 AA-- N ATOM 290 N HIS A 45 -14.408 -18.672 1.612 1.00 12.29 AA-- N ATOM 291 CA HIS A 45 -14.993 -18.791 2.936 1.00 13.09 AA-- C ATOM 292 C HIS A 45 -15.185 -20.263 3.285 1.00 13.73 AA-- C ATOM 293 O HIS A 45 -15.563 -21.072 2.441 1.00 13.83 AA-- O ATOM 294 CB HIS A 45 -16.305 -18.006 3.028 1.00 13.25 AA-- C ATOM 295 CG HIS A 45 -16.755 -17.758 4.431 1.00 13.84 AA-- C ATOM 296 ND1 HIS A 45 -17.149 -16.513 4.871 1.00 14.59 AA-- N ATOM 297 N ASN A 46 -14.922 -20.579 4.555 1.00 14.31 AA-- N ATOM 298 CA ASN A 46 -15.111 -21.916 5.084 1.00 15.11 AA-- C ATOM 299 C ASN A 46 -16.442 -21.945 5.827 1.00 15.79 AA-- C ATOM 300 O ASN A 46 -16.989 -20.894 6.157 1.00 16.04 AA-- O ATOM 301 CB ASN A 46 -13.906 -22.340 5.926 1.00 14.90 AA-- C ATOM 302 CG ASN A 46 -12.599 -22.198 5.172 1.00 14.92 AA-- C ATOM 303 OD1 ASN A 46 -12.419 -22.789 4.111 1.00 14.92 AA-- O ATOM 304 ND2 ASN A 46 -11.689 -21.397 5.702 1.00 14.98 AA-- N ATOM 305 N THR A 47 -16.950 -23.157 6.077 1.00 17.09 AA-- N ATOM 306 CA THR A 47 -18.241 -23.341 6.721 1.00 17.82 AA-- C ATOM 307 C THR A 47 -18.206 -22.807 8.153 1.00 17.85 AA-- C ATOM 308 O THR A 47 -19.230 -22.372 8.674 1.00 18.10 AA-- O ATOM 309 CB THR A 47 -18.710 -24.801 6.637 1.00 18.57 AA-- C ATOM 310 OG1 THR A 47 -17.694 -25.646 7.178 1.00 18.60 AA-- O ATOM 311 CG2 THR A 47 -19.037 -25.240 5.226 1.00 18.82 AA-- C ATOM 312 N ASP A 48 -17.016 -22.819 8.767 1.00 17.72 AA-- N ATOM 313 CA ASP A 48 -16.846 -22.408 10.153 1.00 17.73 AA-- C ATOM 314 C ASP A 48 -16.826 -20.883 10.273 1.00 17.37 AA-- C ATOM 315 O ASP A 48 -16.651 -20.354 11.369 1.00 17.56 AA-- O ATOM 316 CB ASP A 48 -15.617 -23.068 10.792 1.00 18.02 AA-- C ATOM 317 CG ASP A 48 -14.272 -22.594 10.259 1.00 18.65 AA-- C ATOM 318 OD1 ASP A 48 -14.254 -21.790 9.309 1.00 18.80 AA-- O ATOM 319 OD2 ASP A 48 -13.245 -23.033 10.810 1.00 19.22 AA-- O ATOM 320 N GLY A 49 -16.995 -20.186 9.142 1.00 16.37 AA-- N ATOM 321 CA GLY A 49 -17.067 -18.733 9.142 1.00 15.11 AA-- C ATOM 322 C GLY A 49 -15.712 -18.059 8.925 1.00 14.24 AA-- C ATOM 323 O GLY A 49 -15.658 -16.860 8.662 1.00 14.29 AA-- O ATOM 324 N SER A 50 -14.621 -18.828 9.043 1.00 13.26 AA-- N ATOM 325 CA SER A 50 -13.295 -18.321 8.719 1.00 12.48 AA-- C ATOM 326 C SER A 50 -13.159 -18.168 7.204 1.00 11.74 AA-- C ATOM 327 O SER A 50 -14.002 -18.659 6.457 1.00 11.87 AA-- O ATOM 328 CB SER A 50 -12.203 -19.191 9.302 1.00 12.59 AA-- C ATOM 329 OG SER A 50 -12.171 -20.465 8.679 1.00 12.75 AA-- O ATOM 330 N THR A 51 -12.103 -17.474 6.760 1.00 11.04 AA-- N ATOM 331 CA THR A 51 -11.841 -17.281 5.340 1.00 10.04 AA-- C ATOM 332 C THR A 51 -10.367 -17.565 5.052 1.00 9.79 AA-- C ATOM 333 O THR A 51 -9.514 -17.284 5.890 1.00 9.58 AA-- O ATOM 334 CB THR A 51 -12.249 -15.870 4.890 1.00 9.83 AA-- C ATOM 335 OG1 THR A 51 -13.630 -15.654 5.191 1.00 9.48 AA-- O ATOM 336 CG2 THR A 51 -12.011 -15.614 3.417 1.00 9.64 AA-- C ATOM 337 N ASP A 52 -10.092 -18.141 3.872 1.00 9.62 AA-- N ATOM 338 CA ASP A 52 -8.739 -18.367 3.383 1.00 9.67 AA-- C ATOM 339 C ASP A 52 -8.372 -17.246 2.412 1.00 9.46 AA-- C ATOM 340 O ASP A 52 -9.187 -16.878 1.569 1.00 9.19 AA-- O ATOM 341 CB ASP A 52 -8.602 -19.740 2.715 1.00 10.08 AA-- C ATOM 342 CG ASP A 52 -8.975 -20.904 3.620 1.00 10.59 AA-- C ATOM 343 OD1 ASP A 52 -8.764 -20.787 4.830 1.00 10.81 AA-- O ATOM 344 OD2 ASP A 52 -9.432 -21.940 3.099 1.00 11.23 AA-- O ATOM 345 N TYR A 53 -7.138 -16.734 2.526 1.00 9.32 AA-- N ATOM 346 CA TYR A 53 -6.724 -15.546 1.794 1.00 9.32 AA-- C ATOM 347 C TYR A 53 -5.439 -15.780 1.002 1.00 9.44 AA-- C ATOM 348 O TYR A 53 -4.431 -16.226 1.544 1.00 9.55 AA-- O ATOM 349 CB TYR A 53 -6.518 -14.361 2.742 1.00 9.04 AA-- C ATOM 350 CG TYR A 53 -7.769 -13.852 3.412 1.00 8.89 AA-- C ATOM 351 CD1 TYR A 53 -8.237 -14.424 4.584 1.00 8.77 AA-- C ATOM 352 CD2 TYR A 53 -8.498 -12.809 2.860 1.00 8.83 AA-- C ATOM 353 CE1 TYR A 53 -9.384 -13.960 5.207 1.00 8.71 AA-- C ATOM 354 CE2 TYR A 53 -9.651 -12.338 3.466 1.00 8.72 AA-- C ATOM 355 CZ TYR A 53 -10.095 -12.914 4.644 1.00 8.74 AA-- C ATOM 356 OH TYR A 53 -11.248 -12.464 5.246 1.00 8.97 AA-- O ATOM 357 N GLY A 54 -5.497 -15.455 -0.293 1.00 9.58 AA-- N ATOM 358 CA GLY A 54 -4.308 -15.224 -1.097 1.00 9.68 AA-- C ATOM 359 C GLY A 54 -3.748 -16.480 -1.758 1.00 9.88 AA-- C ATOM 360 O GLY A 54 -4.395 -17.527 -1.796 1.00 9.77 AA-- O ATOM 361 N ILE A 55 -2.513 -16.323 -2.251 1.00 10.05 AA-- N ATOM 362 CA ILE A 55 -1.788 -17.275 -3.076 1.00 10.48 AA-- C ATOM 363 C ILE A 55 -1.713 -18.635 -2.383 1.00 10.51 AA-- C ATOM 364 O ILE A 55 -1.768 -19.667 -3.047 1.00 10.38 AA-- O ATOM 365 CB ILE A 55 -0.394 -16.709 -3.432 1.00 10.86 AA-- C ATOM 366 CG1 ILE A 55 0.275 -17.450 -4.593 1.00 11.12 AA-- C ATOM 367 CG2 ILE A 55 0.512 -16.607 -2.215 1.00 10.86 AA-- C ATOM 368 CD1 ILE A 55 -0.055 -16.867 -5.947 1.00 11.43 AA-- C ATOM 369 N LEU A 56 -1.582 -18.630 -1.051 1.00 10.78 AA-- N ATOM 370 CA LEU A 56 -1.421 -19.867 -0.303 1.00 10.83 AA-- C ATOM 371 C LEU A 56 -2.605 -20.111 0.632 1.00 10.85 AA-- C ATOM 372 O LEU A 56 -2.545 -20.996 1.483 1.00 10.57 AA-- O ATOM 373 CB LEU A 56 -0.083 -19.834 0.446 1.00 11.13 AA-- C ATOM 374 CG LEU A 56 1.144 -20.181 -0.396 1.00 11.36 AA-- C ATOM 375 CD1 LEU A 56 2.424 -19.897 0.371 1.00 11.33 AA-- C ATOM 376 CD2 LEU A 56 1.110 -21.642 -0.817 1.00 11.46 AA-- C ATOM 377 N GLN A 57 -3.683 -19.336 0.450 1.00 10.82 AA-- N ATOM 378 CA GLN A 57 -4.967 -19.573 1.103 1.00 10.76 AA-- C ATOM 379 C GLN A 57 -4.809 -19.712 2.618 1.00 11.07 AA-- C ATOM 380 O GLN A 57 -5.258 -20.688 3.218 1.00 10.86 AA-- O ATOM 381 CB GLN A 57 -5.687 -20.773 0.480 1.00 10.73 AA-- C ATOM 382 CG GLN A 57 -6.233 -20.490 -0.911 1.00 10.64 AA-- C ATOM 383 CD GLN A 57 -7.397 -19.533 -0.879 1.00 10.83 AA-- C ATOM 384 OE1 GLN A 57 -8.519 -19.905 -0.544 1.00 11.06 AA-- O ATOM 385 NE2 GLN A 57 -7.134 -18.288 -1.244 1.00 10.84 AA-- N ATOM 386 N ILE A 58 -4.209 -18.687 3.226 1.00 11.41 AA-- N ATOM 387 CA ILE A 58 -3.942 -18.645 4.654 1.00 12.05 AA-- C ATOM 388 C ILE A 58 -5.236 -18.316 5.399 1.00 12.56 AA-- C ATOM 389 O ILE A 58 -5.963 -17.400 5.018 1.00 12.57 AA-- O ATOM 390 CB ILE A 58 -2.786 -17.663 4.928 1.00 12.26 AA-- C ATOM 391 CG1 ILE A 58 -1.482 -18.189 4.317 1.00 12.25 AA-- C ATOM 392 CG2 ILE A 58 -2.646 -17.380 6.413 1.00 11.96 AA-- C ATOM 393 CD1 ILE A 58 -0.363 -17.177 4.229 1.00 12.41 AA-- C ATOM 394 N ASN A 59 -5.505 -19.085 6.464 1.00 13.13 AA-- N ATOM 395 CA ASN A 59 -6.795 -19.105 7.138 1.00 14.11 AA-- C ATOM 396 C ASN A 59 -6.857 -18.058 8.247 1.00 14.01 AA-- C ATOM 397 O ASN A 59 -5.918 -17.917 9.025 1.00 14.19 AA-- O ATOM 398 CB ASN A 59 -7.105 -20.480 7.732 1.00 15.24 AA-- C ATOM 399 CG ASN A 59 -8.499 -20.551 8.318 1.00 16.27 AA-- C ATOM 400 OD1 ASN A 59 -8.672 -20.484 9.531 1.00 17.45 AA-- O ATOM 401 ND2 ASN A 59 -9.501 -20.651 7.465 1.00 17.57 AA-- N ATOM 402 N SER A 60 -8.017 -17.396 8.351 1.00 13.94 AA-- N ATOM 403 CA SER A 60 -8.231 -16.284 9.264 1.00 14.24 AA-- C ATOM 404 C SER A 60 -8.400 -16.749 10.709 1.00 15.13 AA-- C ATOM 405 O SER A 60 -8.342 -15.928 11.619 1.00 15.23 AA-- O ATOM 406 CB SER A 60 -9.407 -15.444 8.830 1.00 13.99 AA-- C ATOM 407 OG SER A 60 -10.611 -16.194 8.879 1.00 13.54 AA-- O ATOM 408 N ARG A 61 -8.627 -18.048 10.932 1.00 16.12 AA-- N ATOM 409 CA ARG A 61 -8.890 -18.512 12.288 1.00 16.62 AA-- C ATOM 410 C ARG A 61 -7.615 -18.458 13.132 1.00 16.35 AA-- C ATOM 411 O ARG A 61 -7.678 -18.231 14.342 1.00 16.66 AA-- O ATOM 412 CB ARG A 61 -9.586 -19.877 12.291 1.00 18.17 AA-- C ATOM 413 CG ARG A 61 -9.861 -20.441 13.678 1.00 19.56 AA-- C ATOM 414 CD ARG A 61 -10.897 -21.550 13.659 1.00 20.71 AA-- C ATOM 415 NE ARG A 61 -12.188 -21.177 13.086 1.00 21.77 AA-- N ATOM 416 CZ ARG A 61 -13.005 -20.239 13.560 1.00 21.76 AA-- C ATOM 417 NH1 ARG A 61 -12.657 -19.513 14.607 1.00 22.26 AA-- N ATOM 418 NH2 ARG A 61 -14.174 -20.027 12.977 1.00 22.05 AA-- N ATOM 419 N TYR A 62 -6.460 -18.632 12.477 1.00 15.13 AA-- N ATOM 420 CA TYR A 62 -5.198 -18.741 13.192 1.00 14.35 AA-- C ATOM 421 C TYR A 62 -4.205 -17.642 12.810 1.00 13.39 AA-- C ATOM 422 O TYR A 62 -3.476 -17.163 13.672 1.00 13.48 AA-- O ATOM 423 CB TYR A 62 -4.598 -20.140 13.018 1.00 14.81 AA-- C ATOM 424 CG TYR A 62 -5.480 -21.266 13.496 1.00 15.05 AA-- C ATOM 425 CD1 TYR A 62 -6.250 -21.999 12.608 1.00 15.09 AA-- C ATOM 426 CD2 TYR A 62 -5.555 -21.595 14.839 1.00 15.39 AA-- C ATOM 427 N TRP A 63 -4.169 -17.237 11.534 1.00 12.60 AA-- N ATOM 428 CA TRP A 63 -2.961 -16.619 11.002 1.00 11.77 AA-- C ATOM 429 C TRP A 63 -3.096 -15.122 10.731 1.00 11.23 AA-- C ATOM 430 O TRP A 63 -2.110 -14.394 10.823 1.00 10.93 AA-- O ATOM 431 CB TRP A 63 -2.474 -17.384 9.771 1.00 11.75 AA-- C ATOM 432 CG TRP A 63 -2.303 -18.837 10.079 1.00 11.66 AA-- C ATOM 433 CD1 TRP A 63 -3.104 -19.865 9.675 1.00 11.70 AA-- C ATOM 434 CD2 TRP A 63 -1.287 -19.418 10.913 1.00 11.74 AA-- C ATOM 435 NE1 TRP A 63 -2.644 -21.050 10.183 1.00 11.72 AA-- N ATOM 436 CE2 TRP A 63 -1.529 -20.808 10.942 1.00 11.79 AA-- C ATOM 437 CE3 TRP A 63 -0.193 -18.901 11.619 1.00 11.84 AA-- C ATOM 438 CZ2 TRP A 63 -0.715 -21.686 11.656 1.00 11.93 AA-- C ATOM 439 CZ3 TRP A 63 0.613 -19.770 12.320 1.00 11.94 AA-- C ATOM 440 CH2 TRP A 63 0.351 -21.142 12.338 1.00 12.02 AA-- C ATOM 441 N CYS A 64 -4.301 -14.663 10.385 1.00 10.74 AA-- N ATOM 442 CA CYS A 64 -4.468 -13.254 10.067 1.00 10.28 AA-- C ATOM 443 C CYS A 64 -5.787 -12.725 10.626 1.00 10.20 AA-- C ATOM 444 O CYS A 64 -6.651 -13.500 11.029 1.00 10.34 AA-- O ATOM 445 CB CYS A 64 -4.358 -13.018 8.566 1.00 10.11 AA-- C ATOM 446 SG CYS A 64 -5.580 -13.943 7.600 1.00 10.05 AA-- S ATOM 447 N HIS A 65 -5.916 -11.392 10.661 1.00 10.15 AA-- N ATOM 448 CA HIS A 65 -7.108 -10.763 11.206 1.00 10.13 AA-- C ATOM 449 C HIS A 65 -7.957 -10.184 10.080 1.00 10.02 AA-- C ATOM 450 O HIS A 65 -7.476 -9.352 9.312 1.00 9.97 AA-- O ATOM 451 CB HIS A 65 -6.753 -9.651 12.198 1.00 10.21 AA-- C ATOM 452 CG HIS A 65 -7.964 -8.896 12.632 1.00 10.29 AA-- C ATOM 453 ND1 HIS A 65 -8.966 -9.490 13.368 1.00 10.49 AA-- N ATOM 454 CD2 HIS A 65 -8.363 -7.639 12.403 1.00 10.33 AA-- C ATOM 455 N ASP A 66 -9.220 -10.631 10.013 1.00 10.18 AA-- N ATOM 456 CA ASP A 66 -10.192 -10.101 9.070 1.00 10.24 AA-- C ATOM 457 C ASP A 66 -11.369 -9.482 9.822 1.00 10.64 AA-- C ATOM 458 O ASP A 66 -12.325 -9.014 9.206 1.00 10.44 AA-- O ATOM 459 CB ASP A 66 -10.610 -11.144 8.027 1.00 10.09 AA-- C ATOM 460 CG ASP A 66 -11.457 -12.293 8.555 1.00 10.06 AA-- C ATOM 461 OD1 ASP A 66 -11.755 -12.312 9.765 1.00 10.04 AA-- O ATOM 462 OD2 ASP A 66 -11.817 -13.165 7.743 1.00 10.05 AA-- O ATOM 463 N GLY A 67 -11.294 -9.508 11.158 1.00 11.22 AA-- N ATOM 464 CA GLY A 67 -12.268 -8.865 12.025 1.00 11.72 AA-- C ATOM 465 C GLY A 67 -13.647 -9.525 12.010 1.00 12.40 AA-- C ATOM 466 O GLY A 67 -14.585 -8.990 12.599 1.00 12.91 AA-- O ATOM 467 N LYS A 68 -13.773 -10.686 11.355 1.00 12.43 AA-- N ATOM 468 CA LYS A 68 -15.071 -11.338 11.271 1.00 12.97 AA-- C ATOM 469 C LYS A 68 -14.963 -12.839 11.542 1.00 13.29 AA-- C ATOM 470 O LYS A 68 -15.840 -13.603 11.147 1.00 13.60 AA-- O ATOM 471 CB LYS A 68 -15.748 -11.036 9.929 1.00 12.96 AA-- C ATOM 472 CG LYS A 68 -15.133 -11.707 8.708 1.00 13.04 AA-- C ATOM 473 CD LYS A 68 -16.067 -11.728 7.518 1.00 13.21 AA-- C ATOM 474 CE LYS A 68 -15.579 -12.629 6.404 1.00 13.16 AA-- C ATOM 475 NZ LYS A 68 -16.445 -12.541 5.205 1.00 14.11 AA-- N ATOM 476 N THR A 69 -13.892 -13.251 12.230 1.00 13.69 AA-- N ATOM 477 CA THR A 69 -13.709 -14.646 12.598 1.00 14.05 AA-- C ATOM 478 C THR A 69 -13.587 -14.740 14.117 1.00 14.74 AA-- C ATOM 479 O THR A 69 -12.490 -14.606 14.646 1.00 14.72 AA-- O ATOM 480 CB THR A 69 -12.461 -15.237 11.926 1.00 13.79 AA-- C ATOM 481 OG1 THR A 69 -12.488 -14.940 10.529 1.00 13.23 AA-- O ATOM 482 CG2 THR A 69 -12.324 -16.731 12.133 1.00 13.89 AA-- C ATOM 483 N PRO A 70 -14.692 -14.947 14.873 1.00 15.74 AA-- N ATOM 484 CA PRO A 70 -14.600 -15.076 16.330 1.00 16.60 AA-- C ATOM 485 C PRO A 70 -13.656 -16.196 16.765 1.00 17.59 AA-- C ATOM 486 O PRO A 70 -13.760 -17.326 16.288 1.00 18.05 AA-- O ATOM 487 CB PRO A 70 -16.051 -15.339 16.764 1.00 16.82 AA-- C ATOM 488 CG PRO A 70 -16.886 -14.751 15.643 1.00 16.50 AA-- C ATOM 489 CD PRO A 70 -16.080 -15.015 14.387 1.00 16.27 AA-- C ATOM 490 N GLY A 71 -12.720 -15.858 17.661 1.00 18.35 AA-- N ATOM 491 CA GLY A 71 -11.730 -16.803 18.157 1.00 19.68 AA-- C ATOM 492 C GLY A 71 -10.422 -16.781 17.366 1.00 21.43 AA-- C ATOM 493 O GLY A 71 -9.522 -17.574 17.643 1.00 22.74 AA-- O ATOM 494 N SER A 72 -10.324 -15.868 16.389 1.00 21.53 AA-- N ATOM 495 CA SER A 72 -9.141 -15.705 15.551 1.00 22.06 AA-- C ATOM 496 C SER A 72 -7.926 -15.317 16.395 1.00 21.71 AA-- C ATOM 497 O SER A 72 -8.045 -14.528 17.330 1.00 21.95 AA-- O ATOM 498 CB SER A 72 -9.393 -14.692 14.461 1.00 22.05 AA-- C ATOM 499 OG SER A 72 -8.205 -14.406 13.733 1.00 22.91 AA-- O ATOM 500 N LYS A 73 -6.752 -15.849 16.029 1.00 20.98 AA-- N ATOM 501 CA LYS A 73 -5.553 -15.684 16.840 1.00 20.49 AA-- C ATOM 502 C LYS A 73 -4.575 -14.666 16.243 1.00 19.58 AA-- C ATOM 503 O LYS A 73 -3.753 -14.110 16.971 1.00 20.61 AA-- O ATOM 504 CB LYS A 73 -4.881 -17.037 17.095 1.00 20.75 AA-- C ATOM 505 CG LYS A 73 -5.580 -17.942 18.103 1.00 21.57 AA-- C ATOM 506 CD LYS A 73 -4.816 -19.220 18.391 1.00 22.09 AA-- C ATOM 507 CE LYS A 73 -3.471 -18.983 19.047 1.00 22.35 AA-- C ATOM 508 NZ LYS A 73 -2.741 -20.252 19.278 1.00 22.99 AA-- N ATOM 509 N ASN A 74 -4.646 -14.449 14.923 1.00 17.79 AA-- N ATOM 510 CA ASN A 74 -3.798 -13.511 14.192 1.00 15.96 AA-- C ATOM 511 C ASN A 74 -2.311 -13.737 14.484 1.00 15.32 AA-- C ATOM 512 O ASN A 74 -1.579 -12.793 14.788 1.00 15.17 AA-- O ATOM 513 CB ASN A 74 -4.204 -12.051 14.422 1.00 15.14 AA-- C ATOM 514 CG ASN A 74 -3.534 -11.099 13.452 1.00 14.91 AA-- C ATOM 515 OD1 ASN A 74 -2.937 -11.529 12.465 1.00 14.53 AA-- O ATOM 516 ND2 ASN A 74 -3.624 -9.806 13.716 1.00 14.94 AA-- N ATOM 517 N ALA A 75 -1.861 -14.986 14.324 1.00 14.74 AA-- N ATOM 518 CA ALA A 75 -0.521 -15.390 14.725 1.00 14.42 AA-- C ATOM 519 C ALA A 75 0.559 -14.768 13.836 1.00 14.07 AA-- C ATOM 520 O ALA A 75 1.719 -14.702 14.236 1.00 13.80 AA-- O ATOM 521 CB ALA A 75 -0.414 -16.895 14.764 1.00 14.58 AA-- C ATOM 522 N CYS A 76 0.187 -14.323 12.629 1.00 13.78 AA-- N ATOM 523 CA CYS A 76 1.156 -13.694 11.742 1.00 13.66 AA-- C ATOM 524 C CYS A 76 1.131 -12.176 11.905 1.00 13.74 AA-- C ATOM 525 O CYS A 76 1.937 -11.476 11.293 1.00 13.69 AA-- O ATOM 526 CB CYS A 76 0.928 -14.080 10.286 1.00 13.31 AA-- C ATOM 527 SG CYS A 76 1.237 -15.833 9.953 1.00 12.90 AA-- S ATOM 528 N ASN A 77 0.199 -11.689 12.736 1.00 14.09 AA-- N ATOM 529 CA ASN A 77 0.075 -10.283 13.094 1.00 14.64 AA-- C ATOM 530 C ASN A 77 0.017 -9.415 11.837 1.00 14.32 AA-- C ATOM 531 O ASN A 77 0.831 -8.512 11.654 1.00 14.26 AA-- O ATOM 532 CB ASN A 77 1.119 -9.854 14.132 1.00 15.68 AA-- C ATOM 533 CG ASN A 77 0.751 -10.266 15.541 1.00 16.66 AA-- C ATOM 534 OD1 ASN A 77 -0.264 -9.825 16.077 1.00 17.59 AA-- O ATOM 535 ND2 ASN A 77 1.574 -11.099 16.156 1.00 17.17 AA-- N ATOM 536 N ILE A 78 -0.969 -9.713 10.984 1.00 14.03 AA-- N ATOM 537 CA ILE A 78 -1.221 -8.994 9.747 1.00 13.68 AA-- C ATOM 538 C ILE A 78 -2.724 -9.024 9.484 1.00 13.27 AA-- C ATOM 539 O ILE A 78 -3.395 -10.003 9.798 1.00 13.08 AA-- O ATOM 540 CB ILE A 78 -0.446 -9.619 8.565 1.00 14.04 AA-- C ATOM 541 CG1 ILE A 78 -0.675 -11.132 8.473 1.00 14.22 AA-- C ATOM 542 CG2 ILE A 78 1.034 -9.264 8.614 1.00 14.21 AA-- C ATOM 543 CD1 ILE A 78 -0.144 -11.767 7.210 1.00 14.39 AA-- C ATOM 544 N SER A 79 -3.236 -7.944 8.896 1.00 13.05 AA-- N ATOM 545 CA SER A 79 -4.573 -7.948 8.328 1.00 12.82 AA-- C ATOM 546 C SER A 79 -4.602 -8.949 7.177 1.00 12.11 AA-- C ATOM 547 O SER A 79 -3.627 -9.065 6.438 1.00 11.74 AA-- O ATOM 548 CB SER A 79 -4.925 -6.567 7.864 1.00 13.48 AA-- C ATOM 549 OG SER A 79 -3.769 -5.931 7.340 1.00 15.24 AA-- O ATOM 550 N CYS A 80 -5.713 -9.680 7.046 1.00 11.59 AA-- N ATOM 551 CA CYS A 80 -5.838 -10.701 6.017 1.00 11.13 AA-- C ATOM 552 C CYS A 80 -5.698 -10.085 4.625 1.00 11.35 AA-- C ATOM 553 O CYS A 80 -5.232 -10.747 3.702 1.00 11.31 AA-- O ATOM 554 CB CYS A 80 -7.169 -11.432 6.140 1.00 10.66 AA-- C ATOM 555 SG CYS A 80 -7.300 -12.440 7.640 1.00 10.16 AA-- S ATOM 556 N SER A 81 -6.077 -8.808 4.495 1.00 11.69 AA-- N ATOM 557 CA SER A 81 -6.049 -8.115 3.216 1.00 11.92 AA-- C ATOM 558 C SER A 81 -4.623 -8.003 2.676 1.00 12.17 AA-- C ATOM 559 O SER A 81 -4.421 -7.951 1.464 1.00 12.29 AA-- O ATOM 560 CB SER A 81 -6.718 -6.770 3.319 1.00 12.01 AA-- C ATOM 561 OG SER A 81 -6.075 -5.960 4.291 1.00 12.17 AA-- O ATOM 562 N LYS A 82 -3.637 -7.973 3.582 1.00 12.05 AA-- N ATOM 563 CA LYS A 82 -2.236 -7.874 3.202 1.00 12.31 AA-- C ATOM 564 C LYS A 82 -1.819 -9.115 2.418 1.00 12.31 AA-- C ATOM 565 O LYS A 82 -0.865 -9.073 1.644 1.00 12.45 AA-- O ATOM 566 CB LYS A 82 -1.351 -7.694 4.439 1.00 12.57 AA-- C ATOM 567 N LEU A 83 -2.559 -10.211 2.613 1.00 12.29 AA-- N ATOM 568 CA LEU A 83 -2.232 -11.486 1.997 1.00 12.56 AA-- C ATOM 569 C LEU A 83 -2.733 -11.552 0.554 1.00 12.73 AA-- C ATOM 570 O LEU A 83 -2.512 -12.559 -0.114 1.00 12.69 AA-- O ATOM 571 CB LEU A 83 -2.832 -12.609 2.848 1.00 12.57 AA-- C ATOM 572 CG LEU A 83 -2.248 -12.749 4.251 1.00 12.70 AA-- C ATOM 573 CD1 LEU A 83 -2.883 -13.920 4.978 1.00 12.73 AA-- C ATOM 574 CD2 LEU A 83 -0.741 -12.932 4.184 1.00 12.83 AA-- C ATOM 575 N LEU A 84 -3.383 -10.481 0.075 1.00 12.85 AA-- N ATOM 576 CA LEU A 84 -3.958 -10.468 -1.264 1.00 12.98 AA-- C ATOM 577 C LEU A 84 -3.134 -9.585 -2.202 1.00 13.33 AA-- C ATOM 578 O LEU A 84 -3.507 -9.397 -3.362 1.00 13.29 AA-- O ATOM 579 CB LEU A 84 -5.408 -9.974 -1.198 1.00 12.94 AA-- C ATOM 580 CG LEU A 84 -6.353 -10.745 -0.277 1.00 12.80 AA-- C ATOM 581 CD1 LEU A 84 -7.750 -10.147 -0.335 1.00 12.81 AA-- C ATOM 582 CD2 LEU A 84 -6.395 -12.224 -0.633 1.00 12.65 AA-- C ATOM 583 N ASP A 85 -2.006 -9.073 -1.697 1.00 13.67 AA-- N ATOM 584 CA ASP A 85 -1.183 -8.118 -2.423 1.00 13.89 AA-- C ATOM 585 C ASP A 85 -0.484 -8.805 -3.596 1.00 14.20 AA-- C ATOM 586 O ASP A 85 -0.291 -10.019 -3.590 1.00 14.29 AA-- O ATOM 587 CB ASP A 85 -0.195 -7.417 -1.486 1.00 14.23 AA-- C ATOM 588 CG ASP A 85 0.621 -6.331 -2.168 1.00 14.33 AA-- C ATOM 589 N ASP A 86 -0.110 -8.005 -4.601 1.00 14.47 AA-- N ATOM 590 CA ASP A 86 0.649 -8.478 -5.750 1.00 14.82 AA-- C ATOM 591 C ASP A 86 2.059 -8.875 -5.315 1.00 14.98 AA-- C ATOM 592 O ASP A 86 2.678 -9.739 -5.933 1.00 15.03 AA-- O ATOM 593 CB ASP A 86 0.663 -7.438 -6.872 1.00 15.14 AA-- C ATOM 594 CG ASP A 86 1.233 -6.100 -6.438 1.00 15.65 AA-- C ATOM 595 N ASP A 87 2.550 -8.220 -4.255 1.00 14.75 AA-- N ATOM 596 CA ASP A 87 3.822 -8.525 -3.617 1.00 14.89 AA-- C ATOM 597 C ASP A 87 3.604 -9.621 -2.575 1.00 14.25 AA-- C ATOM 598 O ASP A 87 2.918 -9.409 -1.578 1.00 14.66 AA-- O ATOM 599 CB ASP A 87 4.422 -7.261 -2.989 1.00 15.87 AA-- C ATOM 600 CG ASP A 87 5.649 -7.499 -2.123 1.00 16.74 AA-- C ATOM 601 OD1 ASP A 87 6.316 -8.531 -2.311 1.00 17.27 AA-- O ATOM 602 OD2 ASP A 87 5.918 -6.650 -1.250 1.00 17.91 AA-- O ATOM 603 N ILE A 88 4.220 -10.788 -2.797 1.00 13.38 AA-- N ATOM 604 CA ILE A 88 3.892 -11.970 -2.010 1.00 12.60 AA-- C ATOM 605 C ILE A 88 4.627 -11.994 -0.669 1.00 12.35 AA-- C ATOM 606 O ILE A 88 4.545 -12.995 0.038 1.00 11.86 AA-- O ATOM 607 CB ILE A 88 4.120 -13.274 -2.805 1.00 12.57 AA-- C ATOM 608 CG1 ILE A 88 5.600 -13.525 -3.109 1.00 12.67 AA-- C ATOM 609 CG2 ILE A 88 3.255 -13.317 -4.058 1.00 12.63 AA-- C ATOM 610 CD1 ILE A 88 5.896 -14.957 -3.492 1.00 12.50 AA-- C ATOM 611 N THR A 89 5.307 -10.896 -0.307 1.00 12.34 AA-- N ATOM 612 CA THR A 89 6.149 -10.844 0.883 1.00 12.33 AA-- C ATOM 613 C THR A 89 5.379 -11.297 2.125 1.00 12.09 AA-- C ATOM 614 O THR A 89 5.856 -12.153 2.869 1.00 12.04 AA-- O ATOM 615 CB THR A 89 6.791 -9.460 1.069 1.00 12.75 AA-- C ATOM 616 OG1 THR A 89 7.624 -9.187 -0.058 1.00 13.03 AA-- O ATOM 617 CG2 THR A 89 7.634 -9.367 2.322 1.00 12.89 AA-- C ATOM 618 N ASP A 90 4.193 -10.716 2.343 1.00 11.76 AA-- N ATOM 619 CA ASP A 90 3.400 -11.020 3.525 1.00 11.45 AA-- C ATOM 620 C ASP A 90 2.999 -12.494 3.531 1.00 11.14 AA-- C ATOM 621 O ASP A 90 3.101 -13.160 4.560 1.00 11.21 AA-- O ATOM 622 CB ASP A 90 2.196 -10.085 3.664 1.00 11.57 AA-- C ATOM 623 N ASP A 91 2.560 -12.994 2.369 1.00 10.76 AA-- N ATOM 624 CA ASP A 91 2.144 -14.381 2.236 1.00 10.51 AA-- C ATOM 625 C ASP A 91 3.303 -15.318 2.560 1.00 10.30 AA-- C ATOM 626 O ASP A 91 3.106 -16.308 3.261 1.00 10.37 AA-- O ATOM 627 CB ASP A 91 1.555 -14.676 0.857 1.00 10.38 AA-- C ATOM 628 CG ASP A 91 0.132 -14.170 0.709 1.00 10.00 AA-- C ATOM 629 N LEU A 92 4.495 -14.992 2.045 1.00 10.40 AA-- N ATOM 630 CA LEU A 92 5.677 -15.818 2.233 1.00 10.47 AA-- C ATOM 631 C LEU A 92 6.052 -15.859 3.713 1.00 10.55 AA-- C ATOM 632 O LEU A 92 6.291 -16.933 4.258 1.00 10.43 AA-- O ATOM 633 CB LEU A 92 6.824 -15.261 1.384 1.00 10.51 AA-- C ATOM 634 N LYS A 93 6.085 -14.686 4.357 1.00 10.63 AA-- N ATOM 635 CA LYS A 93 6.491 -14.588 5.751 1.00 11.00 AA-- C ATOM 636 C LYS A 93 5.525 -15.364 6.646 1.00 11.06 AA-- C ATOM 637 O LYS A 93 5.945 -15.998 7.615 1.00 11.12 AA-- O ATOM 638 CB LYS A 93 6.620 -13.122 6.177 1.00 11.43 AA-- C ATOM 639 CG LYS A 93 7.897 -12.432 5.711 1.00 11.85 AA-- C ATOM 640 CD LYS A 93 7.774 -10.927 5.648 1.00 12.26 AA-- C ATOM 641 N CYS A 94 4.231 -15.308 6.312 1.00 11.04 AA-- N ATOM 642 CA CYS A 94 3.211 -15.996 7.086 1.00 11.00 AA-- C ATOM 643 C CYS A 94 3.323 -17.506 6.877 1.00 10.91 AA-- C ATOM 644 O CYS A 94 3.271 -18.271 7.840 1.00 10.90 AA-- O ATOM 645 CB CYS A 94 1.818 -15.497 6.719 1.00 11.16 AA-- C ATOM 646 SG CYS A 94 0.524 -16.085 7.842 1.00 11.37 AA-- S ATOM 647 N ALA A 95 3.503 -17.920 5.615 1.00 10.86 AA-- N ATOM 648 CA ALA A 95 3.645 -19.325 5.260 1.00 10.78 AA-- C ATOM 649 C ALA A 95 4.828 -19.947 5.998 1.00 10.83 AA-- C ATOM 650 O ALA A 95 4.777 -21.111 6.391 1.00 10.76 AA-- O ATOM 651 CB ALA A 95 3.792 -19.475 3.764 1.00 10.74 AA-- C ATOM 652 N LYS A 96 5.883 -19.149 6.199 1.00 11.02 AA-- N ATOM 653 CA LYS A 96 7.067 -19.580 6.922 1.00 11.35 AA-- C ATOM 654 C LYS A 96 6.704 -20.007 8.342 1.00 11.40 AA-- C ATOM 655 O LYS A 96 7.225 -21.003 8.841 1.00 11.30 AA-- O ATOM 656 CB LYS A 96 8.125 -18.472 6.904 1.00 11.72 AA-- C ATOM 657 CG LYS A 96 8.875 -18.330 5.586 1.00 12.16 AA-- C ATOM 658 CD LYS A 96 9.946 -17.259 5.607 1.00 12.58 AA-- C ATOM 659 CE LYS A 96 10.741 -17.230 4.319 1.00 13.00 AA-- C ATOM 660 NZ LYS A 96 11.655 -16.065 4.246 1.00 13.41 AA-- N ATOM 661 N LYS A 97 5.808 -19.246 8.987 1.00 11.62 AA-- N ATOM 662 CA LYS A 97 5.397 -19.534 10.353 1.00 11.74 AA-- C ATOM 663 C LYS A 97 4.508 -20.777 10.378 1.00 11.53 AA-- C ATOM 664 O LYS A 97 4.613 -21.603 11.285 1.00 11.55 AA-- O ATOM 665 CB LYS A 97 4.693 -18.323 10.977 1.00 12.48 AA-- C ATOM 666 CG LYS A 97 5.564 -17.092 11.197 1.00 13.37 AA-- C ATOM 667 CD LYS A 97 4.846 -15.974 11.930 1.00 14.15 AA-- C ATOM 668 CE LYS A 97 5.723 -14.771 12.213 1.00 14.75 AA-- C ATOM 669 NZ LYS A 97 6.142 -14.084 10.968 1.00 15.89 AA-- N ATOM 670 N ILE A 98 3.639 -20.898 9.368 1.00 11.35 AA-- N ATOM 671 CA ILE A 98 2.687 -21.994 9.281 1.00 11.12 AA-- C ATOM 672 C ILE A 98 3.442 -23.317 9.147 1.00 11.05 AA-- C ATOM 673 O ILE A 98 3.196 -24.252 9.907 1.00 10.91 AA-- O ATOM 674 CB ILE A 98 1.684 -21.767 8.130 1.00 11.17 AA-- C ATOM 675 CG1 ILE A 98 0.911 -20.456 8.306 1.00 11.12 AA-- C ATOM 676 CG2 ILE A 98 0.747 -22.960 7.985 1.00 11.26 AA-- C ATOM 677 CD1 ILE A 98 -0.041 -20.137 7.172 1.00 11.10 AA-- C ATOM 678 N ALA A 99 4.371 -23.375 8.181 1.00 11.14 AA-- N ATOM 679 CA ALA A 99 5.114 -24.586 7.866 1.00 11.19 AA-- C ATOM 680 C ALA A 99 6.014 -25.000 9.031 1.00 11.47 AA-- C ATOM 681 O ALA A 99 6.446 -26.150 9.105 1.00 11.37 AA-- O ATOM 682 CB ALA A 99 5.905 -24.386 6.596 1.00 11.07 AA-- C ATOM 683 N GLY A 100 6.288 -24.053 9.937 1.00 11.87 AA-- N ATOM 684 CA GLY A 100 7.104 -24.321 11.110 1.00 12.41 AA-- C ATOM 685 C GLY A 100 6.266 -24.764 12.308 1.00 13.00 AA-- C ATOM 686 O GLY A 100 6.816 -25.073 13.364 1.00 13.16 AA-- O ATOM 687 N GLU A 101 4.940 -24.820 12.121 1.00 13.49 AA-- N ATOM 688 CA GLU A 101 3.998 -25.030 13.213 1.00 13.77 AA-- C ATOM 689 C GLU A 101 3.989 -26.493 13.666 1.00 13.88 AA-- C ATOM 690 O GLU A 101 3.280 -26.843 14.609 1.00 14.34 AA-- O ATOM 691 CB GLU A 101 2.606 -24.512 12.837 1.00 14.05 AA-- C ATOM 692 CG GLU A 101 1.650 -24.395 14.014 1.00 14.31 AA-- C ATOM 693 CD GLU A 101 2.110 -23.455 15.115 1.00 14.41 AA-- C ATOM 694 N ALA A 102 4.776 -27.342 12.995 1.00 14.04 AA-- N ATOM 695 CA ALA A 102 5.066 -28.670 13.514 1.00 13.68 AA-- C ATOM 696 C ALA A 102 4.494 -29.763 12.614 1.00 13.27 AA-- C ATOM 697 O ALA A 102 4.872 -30.926 12.746 1.00 13.11 AA-- O ATOM 698 N LYS A 103 3.595 -29.387 11.698 1.00 12.67 AA-- N ATOM 699 CA LYS A 103 2.955 -30.369 10.835 1.00 12.16 AA-- C ATOM 700 C LYS A 103 3.404 -30.184 9.388 1.00 11.58 AA-- C ATOM 701 O LYS A 103 2.866 -30.817 8.483 1.00 11.13 AA-- O ATOM 702 CB LYS A 103 1.432 -30.309 10.984 1.00 12.71 AA-- C ATOM 703 CG LYS A 103 0.889 -30.897 12.280 1.00 12.98 AA-- C ATOM 704 CD LYS A 103 1.048 -32.399 12.374 1.00 13.26 AA-- C ATOM 705 N GLY A 104 4.405 -29.321 9.185 1.00 10.91 AA-- N ATOM 706 CA GLY A 104 4.949 -29.058 7.864 1.00 10.25 AA-- C ATOM 707 C GLY A 104 3.877 -28.549 6.905 1.00 9.75 AA-- C ATOM 708 O GLY A 104 2.964 -27.828 7.311 1.00 9.82 AA-- O ATOM 709 N LEU A 105 3.987 -28.962 5.639 1.00 9.32 AA-- N ATOM 710 CA LEU A 105 3.098 -28.466 4.600 1.00 8.81 AA-- C ATOM 711 C LEU A 105 1.746 -29.184 4.639 1.00 9.03 AA-- C ATOM 712 O LEU A 105 0.851 -28.836 3.874 1.00 8.89 AA-- O ATOM 713 CB LEU A 105 3.782 -28.550 3.229 1.00 8.29 AA-- C ATOM 714 CG LEU A 105 4.822 -27.462 2.948 1.00 7.56 AA-- C ATOM 715 CD1 LEU A 105 5.161 -27.362 1.454 1.00 6.76 AA-- C ATOM 716 N THR A 106 1.586 -30.155 5.550 1.00 9.38 AA-- N ATOM 717 CA THR A 106 0.312 -30.838 5.737 1.00 9.88 AA-- C ATOM 718 C THR A 106 -0.745 -29.842 6.218 1.00 9.96 AA-- C ATOM 719 O THR A 106 -1.942 -30.131 6.174 1.00 10.26 AA-- O ATOM 720 CB THR A 106 0.444 -32.044 6.681 1.00 10.05 AA-- C ATOM 721 OG1 THR A 106 1.191 -33.101 6.071 1.00 10.76 AA-- O ATOM 722 N PRO A 107 -0.337 -28.636 6.681 1.00 9.95 AA-- N ATOM 723 CA PRO A 107 -1.305 -27.597 7.047 1.00 9.99 AA-- C ATOM 724 C PRO A 107 -2.103 -27.082 5.850 1.00 10.09 AA-- C ATOM 725 O PRO A 107 -3.175 -26.512 6.027 1.00 10.32 AA-- O ATOM 726 CB PRO A 107 -0.448 -26.461 7.622 1.00 10.03 AA-- C ATOM 727 N TRP A 108 -1.563 -27.291 4.642 1.00 10.19 AA-- N ATOM 728 CA TRP A 108 -2.255 -26.998 3.396 1.00 10.17 AA-- C ATOM 729 C TRP A 108 -2.914 -28.272 2.874 1.00 10.51 AA-- C ATOM 730 O TRP A 108 -2.234 -29.185 2.402 1.00 10.48 AA-- O ATOM 731 CB TRP A 108 -1.284 -26.408 2.365 1.00 9.93 AA-- C ATOM 732 CG TRP A 108 -0.896 -24.990 2.645 1.00 9.74 AA-- C ATOM 733 CD1 TRP A 108 -1.584 -23.866 2.287 1.00 9.75 AA-- C ATOM 734 CD2 TRP A 108 0.257 -24.540 3.376 1.00 9.70 AA-- C ATOM 735 NE1 TRP A 108 -0.927 -22.749 2.726 1.00 9.69 AA-- N ATOM 736 CE2 TRP A 108 0.201 -23.130 3.403 1.00 9.61 AA-- C ATOM 737 CE3 TRP A 108 1.327 -25.186 4.008 1.00 9.53 AA-- C ATOM 738 CZ2 TRP A 108 1.181 -22.358 4.028 1.00 9.63 AA-- C ATOM 739 CZ3 TRP A 108 2.289 -24.425 4.632 1.00 9.51 AA-- C ATOM 740 CH2 TRP A 108 2.216 -23.029 4.639 1.00 9.62 AA-- C ATOM 741 N VAL A 109 -4.248 -28.318 2.954 1.00 10.83 AA-- N ATOM 742 CA VAL A 109 -4.980 -29.541 2.658 1.00 11.08 AA-- C ATOM 743 C VAL A 109 -4.797 -29.922 1.187 1.00 10.95 AA-- C ATOM 744 O VAL A 109 -4.697 -31.107 0.872 1.00 11.17 AA-- O ATOM 745 CB VAL A 109 -6.462 -29.465 3.088 1.00 11.29 AA-- C ATOM 746 CG1 VAL A 109 -7.203 -28.300 2.449 1.00 11.51 AA-- C ATOM 747 CG2 VAL A 109 -7.198 -30.774 2.840 1.00 11.72 AA-- C ATOM 748 N ALA A 110 -4.723 -28.913 0.305 1.00 10.84 AA-- N ATOM 749 CA ALA A 110 -4.501 -29.140 -1.117 1.00 10.71 AA-- C ATOM 750 C ALA A 110 -3.118 -29.744 -1.357 1.00 10.53 AA-- C ATOM 751 O ALA A 110 -2.960 -30.567 -2.255 1.00 10.62 AA-- O ATOM 752 CB ALA A 110 -4.710 -27.879 -1.924 1.00 10.71 AA-- C ATOM 753 N TRP A 111 -2.124 -29.333 -0.556 1.00 10.35 AA-- N ATOM 754 CA TRP A 111 -0.783 -29.888 -0.685 1.00 10.22 AA-- C ATOM 755 C TRP A 111 -0.793 -31.374 -0.337 1.00 10.38 AA-- C ATOM 756 O TRP A 111 -0.250 -32.191 -1.074 1.00 10.23 AA-- O ATOM 757 CB TRP A 111 0.249 -29.147 0.177 1.00 9.96 AA-- C ATOM 758 CG TRP A 111 1.615 -29.754 0.048 1.00 9.60 AA-- C ATOM 759 CD1 TRP A 111 2.504 -29.548 -0.966 1.00 9.50 AA-- C ATOM 760 CD2 TRP A 111 2.224 -30.732 0.915 1.00 9.47 AA-- C ATOM 761 NE1 TRP A 111 3.631 -30.301 -0.776 1.00 9.35 AA-- N ATOM 762 CE2 TRP A 111 3.488 -31.042 0.365 1.00 9.43 AA-- C ATOM 763 CE3 TRP A 111 1.841 -31.366 2.104 1.00 9.36 AA-- C ATOM 764 CZ2 TRP A 111 4.364 -31.946 0.967 1.00 9.53 AA-- C ATOM 765 CZ3 TRP A 111 2.705 -32.261 2.696 1.00 9.41 AA-- C ATOM 766 CH2 TRP A 111 3.951 -32.544 2.136 1.00 9.43 AA-- C ATOM 767 N LYS A 112 -1.395 -31.705 0.810 1.00 10.85 AA-- N ATOM 768 CA LYS A 112 -1.454 -33.073 1.298 1.00 11.32 AA-- C ATOM 769 C LYS A 112 -2.152 -33.944 0.253 1.00 11.11 AA-- C ATOM 770 O LYS A 112 -1.681 -35.030 -0.074 1.00 11.18 AA-- O ATOM 771 CB LYS A 112 -2.150 -33.087 2.664 1.00 12.26 AA-- C ATOM 772 CG LYS A 112 -2.206 -34.420 3.403 1.00 13.51 AA-- C ATOM 773 CD LYS A 112 -2.997 -34.315 4.688 1.00 14.62 AA-- C ATOM 774 CE LYS A 112 -4.408 -33.817 4.453 1.00 15.43 AA-- C ATOM 775 NZ LYS A 112 -4.863 -32.916 5.536 1.00 16.58 AA-- N ATOM 776 N SER A 113 -3.252 -33.426 -0.307 1.00 10.99 AA-- N ATOM 777 CA SER A 113 -4.120 -34.236 -1.141 1.00 11.00 AA-- C ATOM 778 C SER A 113 -3.665 -34.244 -2.600 1.00 10.74 AA-- C ATOM 779 O SER A 113 -4.030 -35.154 -3.337 1.00 10.73 AA-- O ATOM 780 CB SER A 113 -5.571 -33.829 -0.998 1.00 11.21 AA-- C ATOM 781 OG SER A 113 -6.092 -34.247 0.261 1.00 12.17 AA-- O ATOM 782 N LYS A 114 -2.871 -33.250 -3.023 1.00 10.31 AA-- N ATOM 783 CA LYS A 114 -2.640 -33.106 -4.455 1.00 10.02 AA-- C ATOM 784 C LYS A 114 -1.156 -32.988 -4.809 1.00 10.00 AA-- C ATOM 785 O LYS A 114 -0.796 -33.179 -5.969 1.00 10.00 AA-- O ATOM 786 CB LYS A 114 -3.503 -31.981 -5.035 1.00 9.79 AA-- C ATOM 787 CG LYS A 114 -4.991 -32.077 -4.714 1.00 9.91 AA-- C ATOM 788 CD LYS A 114 -5.812 -30.938 -5.277 1.00 9.74 AA-- C ATOM 789 CE LYS A 114 -5.919 -30.977 -6.787 1.00 9.66 AA-- C ATOM 790 NZ LYS A 114 -6.741 -29.858 -7.305 1.00 10.28 AA-- N ATOM 791 N CYS A 115 -0.297 -32.699 -3.822 1.00 9.80 AA-- N ATOM 792 CA CYS A 115 1.111 -32.445 -4.097 1.00 9.76 AA-- C ATOM 793 C CYS A 115 2.013 -33.465 -3.403 1.00 9.81 AA-- C ATOM 794 O CYS A 115 3.005 -33.916 -3.976 1.00 9.68 AA-- O ATOM 795 CB CYS A 115 1.514 -31.049 -3.635 1.00 9.58 AA-- C ATOM 796 SG CYS A 115 0.538 -29.715 -4.380 1.00 9.39 AA-- S ATOM 797 N ARG A 116 1.685 -33.792 -2.148 1.00 9.84 AA-- N ATOM 798 CA ARG A 116 2.496 -34.684 -1.337 1.00 10.11 AA-- C ATOM 799 C ARG A 116 2.759 -35.980 -2.102 1.00 10.29 AA-- C ATOM 800 O ARG A 116 1.827 -36.621 -2.588 1.00 9.94 AA-- O ATOM 801 CB ARG A 116 1.772 -34.967 -0.020 1.00 9.87 AA-- C ATOM 802 CG ARG A 116 2.626 -35.649 1.040 1.00 9.83 AA-- C ATOM 803 CD ARG A 116 1.793 -35.757 2.301 1.00 9.90 AA-- C ATOM 804 NE ARG A 116 2.525 -36.210 3.474 1.00 10.12 AA-- N ATOM 805 CZ ARG A 116 1.958 -36.449 4.652 1.00 9.78 AA-- C ATOM 806 N GLY A 117 4.043 -36.336 -2.214 1.00 10.83 AA-- N ATOM 807 CA GLY A 117 4.452 -37.621 -2.757 1.00 11.53 AA-- C ATOM 808 C GLY A 117 4.396 -37.673 -4.282 1.00 12.16 AA-- C ATOM 809 O GLY A 117 4.595 -38.737 -4.866 1.00 12.90 AA-- O ATOM 810 N HIS A 118 4.122 -36.526 -4.913 1.00 11.89 AA-- N ATOM 811 CA HIS A 118 4.092 -36.432 -6.363 1.00 11.88 AA-- C ATOM 812 C HIS A 118 5.411 -35.850 -6.868 1.00 12.31 AA-- C ATOM 813 O HIS A 118 6.244 -35.403 -6.082 1.00 12.32 AA-- O ATOM 814 CB HIS A 118 2.866 -35.637 -6.830 1.00 11.72 AA-- C ATOM 815 CG HIS A 118 3.031 -34.155 -6.732 1.00 10.91 AA-- C ATOM 816 N ASP A 119 5.580 -35.868 -8.195 1.00 12.64 AA-- N ATOM 817 CA ASP A 119 6.736 -35.285 -8.857 1.00 13.10 AA-- C ATOM 818 C ASP A 119 6.586 -33.764 -8.858 1.00 13.30 AA-- C ATOM 819 O ASP A 119 6.270 -33.165 -9.886 1.00 13.38 AA-- O ATOM 820 CB ASP A 119 6.894 -35.870 -10.265 1.00 13.66 AA-- C ATOM 821 CG ASP A 119 8.117 -35.384 -11.029 1.00 13.97 AA-- C ATOM 822 OD1 ASP A 119 9.097 -34.953 -10.382 1.00 14.01 AA-- O ATOM 823 OD2 ASP A 119 8.071 -35.422 -12.273 1.00 14.23 AA-- O ATOM 824 N LEU A 120 6.827 -33.151 -7.691 1.00 13.66 AA-- N ATOM 825 CA LEU A 120 6.678 -31.713 -7.509 1.00 13.67 AA-- C ATOM 826 C LEU A 120 7.697 -30.962 -8.365 1.00 13.77 AA-- C ATOM 827 O LEU A 120 7.493 -29.795 -8.692 1.00 13.52 AA-- O ATOM 828 CB LEU A 120 6.856 -31.368 -6.026 1.00 13.76 AA-- C ATOM 829 N SER A 121 8.785 -31.653 -8.731 1.00 14.18 AA-- N ATOM 830 CA SER A 121 9.869 -31.095 -9.527 1.00 14.61 AA-- C ATOM 831 C SER A 121 9.342 -30.515 -10.838 1.00 14.35 AA-- C ATOM 832 O SER A 121 9.896 -29.548 -11.358 1.00 14.60 AA-- O ATOM 833 CB SER A 121 10.930 -32.136 -9.797 1.00 15.16 AA-- C ATOM 834 OG SER A 121 11.469 -32.658 -8.591 1.00 16.18 AA-- O ATOM 835 N LYS A 122 8.282 -31.137 -11.369 1.00 13.84 AA-- N ATOM 836 CA LYS A 122 7.661 -30.732 -12.619 1.00 13.59 AA-- C ATOM 837 C LYS A 122 7.158 -29.291 -12.493 1.00 13.37 AA-- C ATOM 838 O LYS A 122 7.132 -28.614 -13.533 1.00 13.31 AA-- O ATOM 839 CB LYS A 122 6.507 -31.677 -12.969 1.00 13.57 AA-- C TER 840 LYS A 122 END