HEADER ELECTRON TRANSPORT 26-MAR-97 1AG0 COMPND STRUCTURE OF CYS 112 ASP AZURIN FROM PSE REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0109 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 33.93 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 94.07 REMARK 3 NUMBER OF REFLECTIONS : 5614 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) : 0.21908 REMARK 3 R VALUE (WORKING SET) : 0.21621 REMARK 3 FREE R VALUE : 0.27616 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.9 REMARK 3 FREE R VALUE TEST SET COUNT : 289 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH : 2.250 REMARK 3 BIN RESOLUTION RANGE LOW : 2.308 REMARK 3 REFLECTION IN BIN (WORKING SET) : 404 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 89.79 REMARK 3 BIN R VALUE (WORKING SET) : 0.217 REMARK 3 BIN FREE R VALUE SET COUNT : 18 REMARK 3 BIN FREE R VALUE : 0.225 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 ALL ATOMS : 1046 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.827 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.07 REMARK 3 B22 (A**2) : 0.06 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): 0.218 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.278 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.000 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.008 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.944 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.902 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT 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 : 1.40 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 3 CYS A 26 CRYST1 48.410 55.030 94.580 90.00 90.00 90.00 C 2 2 21 SCALE1 0.020657 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018172 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010573 0.00000 ATOM 1 N ALA A 1 -28.157 11.870 2.114 1.00 38.81 A N ATOM 2 CA ALA A 1 -27.838 11.614 0.685 1.00 39.14 A C ATOM 3 CB ALA A 1 -27.776 12.892 -0.031 1.00 38.30 A C ATOM 4 C ALA A 1 -26.512 10.858 0.541 1.00 39.41 A C ATOM 5 O ALA A 1 -25.613 10.991 1.367 1.00 39.53 A O ATOM 6 N GLU A 2 -26.416 10.028 -0.478 1.00 39.81 A N ATOM 7 CA GLU A 2 -25.161 9.336 -0.802 1.00 40.45 A C ATOM 8 CB GLU A 2 -25.302 8.590 -2.108 1.00 40.56 A C ATOM 9 CG GLU A 2 -24.910 7.140 -2.061 1.00 46.38 A C ATOM 10 CD GLU A 2 -26.130 6.276 -1.891 1.00 51.39 A C ATOM 11 OE1 GLU A 2 -26.577 6.167 -0.726 1.00 52.02 A O ATOM 12 OE2 GLU A 2 -26.647 5.734 -2.917 1.00 53.17 A O ATOM 13 C GLU A 2 -24.050 10.378 -0.989 1.00 39.27 A C ATOM 14 O GLU A 2 -24.315 11.465 -1.535 1.00 39.15 A O ATOM 15 N CYS A 3 -22.831 10.026 -0.549 1.00 37.75 A N ATOM 16 CA CYS A 3 -21.639 10.901 -0.600 1.00 37.57 A C ATOM 17 CB CYS A 3 -21.305 11.497 0.797 1.00 36.60 A C ATOM 18 SG CYS A 3 -22.619 12.546 1.569 1.00 35.92 A S ATOM 19 C CYS A 3 -20.443 10.135 -1.166 1.00 37.34 A C ATOM 20 O CYS A 3 -19.318 10.272 -0.717 1.00 37.06 A O ATOM 21 N SER A 4 -20.697 9.333 -2.178 1.00 38.22 A N ATOM 22 CA SER A 4 -19.656 8.506 -2.784 1.00 39.34 A C ATOM 23 CB SER A 4 -19.574 7.167 -2.057 1.00 39.95 A C ATOM 24 OG SER A 4 -18.552 6.363 -2.605 1.00 45.09 A O ATOM 25 C SER A 4 -20.054 8.244 -4.217 1.00 39.40 A C ATOM 26 O SER A 4 -21.243 8.264 -4.536 1.00 39.46 A O ATOM 27 N VAL A 5 -19.074 7.977 -5.078 1.00 39.51 A N ATOM 28 CA VAL A 5 -19.355 7.671 -6.488 1.00 39.73 A C ATOM 29 CB VAL A 5 -19.613 8.979 -7.286 1.00 38.81 A C ATOM 30 CG1 VAL A 5 -18.350 9.684 -7.507 1.00 37.67 A C ATOM 31 CG2 VAL A 5 -20.238 8.676 -8.611 1.00 38.63 A C ATOM 32 C VAL A 5 -18.284 6.709 -7.102 1.00 40.52 A C ATOM 33 O VAL A 5 -17.097 6.804 -6.816 1.00 39.14 A O ATOM 34 N ASP A 6 -18.742 5.740 -7.875 1.00 43.44 A N ATOM 35 CA ASP A 6 -17.866 4.761 -8.535 1.00 46.83 A C ATOM 36 CB ASP A 6 -18.500 3.343 -8.528 1.00 47.03 A C ATOM 37 CG ASP A 6 -18.439 2.643 -7.144 1.00 48.85 A C ATOM 38 OD1 ASP A 6 -18.205 3.310 -6.117 1.00 49.42 A O ATOM 39 OD2 ASP A 6 -18.644 1.397 -7.073 1.00 52.55 A O ATOM 40 C ASP A 6 -17.609 5.243 -9.960 1.00 48.01 A C ATOM 41 O ASP A 6 -18.554 5.438 -10.732 1.00 48.30 A O ATOM 42 N ILE A 7 -16.339 5.494 -10.274 1.00 50.07 A N ATOM 43 CA ILE A 7 -15.920 6.051 -11.555 1.00 52.24 A C ATOM 44 CB ILE A 7 -15.072 7.385 -11.391 1.00 51.76 A C ATOM 45 CG1 ILE A 7 -15.905 8.575 -10.921 1.00 49.28 A C ATOM 46 CD1 ILE A 7 -17.158 8.810 -11.711 1.00 51.17 A C ATOM 47 CG2 ILE A 7 -14.373 7.771 -12.678 1.00 51.99 A C ATOM 48 C ILE A 7 -14.993 5.003 -12.086 1.00 55.18 A C ATOM 49 O ILE A 7 -14.268 4.390 -11.322 1.00 55.24 A O ATOM 50 N GLN A 8 -14.987 4.782 -13.391 1.00 59.76 A N ATOM 51 CA GLN A 8 -13.966 3.878 -13.952 1.00 64.07 A C ATOM 52 CB GLN A 8 -14.522 2.474 -14.159 1.00 64.29 A C ATOM 53 CG GLN A 8 -16.001 2.358 -14.328 1.00 65.60 A C ATOM 54 CD GLN A 8 -16.323 0.966 -14.767 1.00 69.48 A C ATOM 55 OE1 GLN A 8 -15.781 -0.010 -14.222 1.00 69.96 A O ATOM 56 NE2 GLN A 8 -17.159 0.848 -15.799 1.00 70.96 A N ATOM 57 C GLN A 8 -13.096 4.328 -15.156 1.00 66.24 A C ATOM 58 O GLN A 8 -13.604 4.881 -16.139 1.00 66.59 A O ATOM 59 N GLY A 9 -11.789 4.040 -15.042 1.00 69.28 A N ATOM 60 CA GLY A 9 -10.743 4.386 -16.041 1.00 72.91 A C ATOM 61 C GLY A 9 -10.364 3.221 -16.963 1.00 75.47 A C ATOM 62 O GLY A 9 -9.918 2.166 -16.496 1.00 75.51 A O ATOM 63 N ASN A 10 -10.500 3.443 -18.276 1.00 77.86 A N ATOM 64 CA ASN A 10 -10.610 2.367 -19.277 1.00 79.88 A C ATOM 65 CB ASN A 10 -12.007 2.482 -19.966 1.00 79.94 A C ATOM 66 CG ASN A 10 -12.710 1.121 -20.188 1.00 79.98 A C ATOM 67 OD1 ASN A 10 -12.086 0.051 -20.142 1.00 79.75 A O ATOM 68 ND2 ASN A 10 -14.030 1.175 -20.423 1.00 78.85 A N ATOM 69 C ASN A 10 -9.481 2.307 -20.357 1.00 81.28 A C ATOM 70 O ASN A 10 -8.909 3.336 -20.777 1.00 81.21 A O ATOM 71 N ASP A 11 -9.163 1.080 -20.778 1.00 82.79 A N ATOM 72 CA ASP A 11 -8.684 0.829 -22.142 1.00 83.94 A C ATOM 73 CB ASP A 11 -8.085 -0.584 -22.253 1.00 84.24 A C ATOM 74 CG ASP A 11 -6.793 -0.749 -21.464 1.00 84.75 A C ATOM 75 OD1 ASP A 11 -5.791 -0.083 -21.802 1.00 85.62 A O ATOM 76 OD2 ASP A 11 -6.775 -1.566 -20.518 1.00 86.00 A O ATOM 77 C ASP A 11 -9.934 0.966 -23.039 1.00 84.39 A C ATOM 78 O ASP A 11 -10.904 0.214 -22.881 1.00 84.55 A O ATOM 79 N GLN A 12 -9.893 1.925 -23.968 1.00 84.80 A N ATOM 80 CA GLN A 12 -11.074 2.574 -24.597 1.00 85.10 A C ATOM 81 CB GLN A 12 -12.447 1.905 -24.287 1.00 85.26 A C ATOM 82 CG GLN A 12 -13.438 2.751 -23.391 1.00 86.61 A C ATOM 83 CD GLN A 12 -14.851 2.142 -23.195 1.00 88.09 A C ATOM 84 OE1 GLN A 12 -15.723 2.749 -22.548 1.00 86.88 A O ATOM 85 NE2 GLN A 12 -15.070 0.943 -23.741 1.00 88.21 A N ATOM 86 C GLN A 12 -11.054 4.033 -24.106 1.00 85.04 A C ATOM 87 O GLN A 12 -11.620 4.938 -24.753 1.00 85.39 A O ATOM 88 N MET A 13 -10.402 4.240 -22.953 1.00 84.55 A N ATOM 89 CA MET A 13 -10.162 5.581 -22.392 1.00 83.81 A C ATOM 90 CB MET A 13 -9.308 6.420 -23.366 1.00 84.09 A C ATOM 91 CG MET A 13 -7.877 6.750 -22.936 1.00 84.43 A C ATOM 92 SD MET A 13 -7.115 7.990 -24.046 1.00 85.25 A S ATOM 93 CE MET A 13 -8.362 9.294 -24.109 1.00 84.40 A C ATOM 94 C MET A 13 -11.452 6.345 -22.005 1.00 82.84 A C ATOM 95 O MET A 13 -11.493 7.583 -22.067 1.00 82.88 A O ATOM 96 N GLN A 14 -12.495 5.623 -21.608 1.00 81.43 A N ATOM 97 CA GLN A 14 -13.751 6.285 -21.244 1.00 80.09 A C ATOM 98 CB GLN A 14 -14.927 5.760 -22.092 1.00 80.44 A C ATOM 99 CG GLN A 14 -16.171 6.668 -22.096 1.00 80.57 A C ATOM 100 CD GLN A 14 -17.163 6.308 -23.183 1.00 81.16 A C ATOM 101 OE1 GLN A 14 -16.848 6.400 -24.376 1.00 80.56 A O ATOM 102 NE2 GLN A 14 -18.378 5.910 -22.781 1.00 80.21 A N ATOM 103 C GLN A 14 -14.077 6.222 -19.740 1.00 78.76 A C ATOM 104 O GLN A 14 -13.651 5.278 -19.034 1.00 78.76 A O ATOM 105 N PHE A 15 -14.807 7.258 -19.284 1.00 76.69 A N ATOM 106 CA PHE A 15 -15.459 7.344 -17.955 1.00 74.27 A C ATOM 107 CB PHE A 15 -15.285 8.766 -17.346 1.00 74.31 A C ATOM 108 CG PHE A 15 -13.956 9.010 -16.583 1.00 73.07 A C ATOM 109 CD1 PHE A 15 -13.138 7.965 -16.146 1.00 72.61 A C ATOM 110 CE1 PHE A 15 -11.935 8.232 -15.428 1.00 72.67 A C ATOM 111 CZ PHE A 15 -11.574 9.539 -15.117 1.00 69.25 A C ATOM 112 CE2 PHE A 15 -12.381 10.573 -15.530 1.00 69.43 A C ATOM 113 CD2 PHE A 15 -13.564 10.314 -16.258 1.00 70.83 A C ATOM 114 C PHE A 15 -16.970 6.982 -18.091 1.00 72.57 A C ATOM 115 O PHE A 15 -17.606 7.284 -19.113 1.00 72.22 A O ATOM 116 N ASN A 16 -17.548 6.334 -17.078 1.00 70.56 A N ATOM 117 CA ASN A 16 -18.966 5.935 -17.154 1.00 68.55 A C ATOM 118 CB ASN A 16 -19.289 4.853 -16.121 1.00 69.02 A C ATOM 119 CG ASN A 16 -18.869 5.246 -14.712 1.00 69.29 A C ATOM 120 OD1 ASN A 16 -17.759 5.734 -14.500 1.00 70.17 A O ATOM 121 ND2 ASN A 16 -19.752 5.023 -13.744 1.00 68.36 A N ATOM 122 C ASN A 16 -19.953 7.111 -17.032 1.00 66.93 A C ATOM 123 O ASN A 16 -21.123 7.003 -17.434 1.00 66.78 A O ATOM 124 N THR A 17 -19.476 8.212 -16.438 1.00 64.64 A N ATOM 125 CA THR A 17 -20.170 9.513 -16.437 1.00 62.15 A C ATOM 126 CB THR A 17 -20.840 9.870 -15.090 1.00 62.37 A C ATOM 127 OG1 THR A 17 -20.184 9.169 -14.018 1.00 62.04 A O ATOM 128 CG2 THR A 17 -22.338 9.583 -15.127 1.00 62.70 A C ATOM 129 C THR A 17 -19.223 10.655 -16.715 1.00 60.10 A C ATOM 130 O THR A 17 -18.029 10.621 -16.359 1.00 59.83 A O ATOM 131 N ASN A 18 -19.784 11.681 -17.331 1.00 57.35 A N ATOM 132 CA ASN A 18 -19.097 12.927 -17.491 1.00 54.88 A C ATOM 133 CB ASN A 18 -19.093 13.352 -18.974 1.00 56.00 A C ATOM 134 CG ASN A 18 -18.070 12.553 -19.822 1.00 59.95 A C ATOM 135 OD1 ASN A 18 -16.995 12.167 -19.330 1.00 64.33 A O ATOM 136 ND2 ASN A 18 -18.396 12.321 -21.105 1.00 61.68 A N ATOM 137 C ASN A 18 -19.723 13.963 -16.558 1.00 52.05 A C ATOM 138 O ASN A 18 -19.549 15.167 -16.762 1.00 52.04 A O ATOM 139 N ALA A 19 -20.442 13.501 -15.526 1.00 48.53 A N ATOM 140 CA ALA A 19 -21.014 14.433 -14.524 1.00 46.18 A C ATOM 141 CB ALA A 19 -22.267 15.125 -15.058 1.00 46.09 A C ATOM 142 C ALA A 19 -21.291 13.895 -13.101 1.00 44.65 A C ATOM 143 O ALA A 19 -22.017 12.910 -12.903 1.00 44.35 A O ATOM 144 N ILE A 20 -20.721 14.580 -12.119 1.00 42.32 A N ATOM 145 CA ILE A 20 -20.865 14.217 -10.706 1.00 39.80 A C ATOM 146 CB ILE A 20 -19.481 13.942 -10.040 1.00 38.80 A C ATOM 147 CG1 ILE A 20 -18.772 12.735 -10.669 1.00 36.43 A C ATOM 148 CD1 ILE A 20 -17.293 12.628 -10.235 1.00 27.27 A C ATOM 149 CG2 ILE A 20 -19.613 13.717 -8.557 1.00 37.95 A C ATOM 150 C ILE A 20 -21.581 15.368 -9.990 1.00 39.58 A C ATOM 151 O ILE A 20 -21.321 16.552 -10.226 1.00 38.74 A O ATOM 152 N THR A 21 -22.497 15.013 -9.110 1.00 39.52 A N ATOM 153 CA THR A 21 -23.161 16.005 -8.323 1.00 39.86 A C ATOM 154 CB THR A 21 -24.638 16.149 -8.807 1.00 40.50 A C ATOM 155 OG1 THR A 21 -25.430 16.796 -7.803 1.00 44.44 A O ATOM 156 CG2 THR A 21 -25.234 14.791 -9.132 1.00 42.48 A C ATOM 157 C THR A 21 -22.917 15.569 -6.883 1.00 38.65 A C ATOM 158 O THR A 21 -23.031 14.409 -6.567 1.00 39.28 A O ATOM 159 N VAL A 22 -22.430 16.473 -6.048 1.00 37.84 A N ATOM 160 CA VAL A 22 -22.084 16.163 -4.675 1.00 37.12 A C ATOM 161 CB VAL A 22 -20.716 16.780 -4.281 1.00 37.76 A C ATOM 162 CG1 VAL A 22 -20.498 16.708 -2.772 1.00 35.91 A C ATOM 163 CG2 VAL A 22 -19.539 16.153 -5.056 1.00 37.38 A C ATOM 164 C VAL A 22 -23.166 16.867 -3.837 1.00 37.87 A C ATOM 165 O VAL A 22 -23.338 18.097 -3.904 1.00 36.64 A O ATOM 166 N ASP A 23 -23.908 16.112 -3.054 1.00 38.30 A N ATOM 167 CA ASP A 23 -24.935 16.760 -2.204 1.00 39.85 A C ATOM 168 CB ASP A 23 -25.808 15.687 -1.558 1.00 40.54 A C ATOM 169 CG ASP A 23 -27.260 16.146 -1.326 1.00 44.27 A C ATOM 170 OD1 ASP A 23 -28.132 15.762 -2.133 1.00 45.78 A O ATOM 171 OD2 ASP A 23 -27.525 16.862 -0.326 1.00 45.83 A O ATOM 172 C ASP A 23 -24.287 17.727 -1.174 1.00 39.74 A C ATOM 173 O ASP A 23 -23.346 17.329 -0.479 1.00 38.60 A O ATOM 174 N LYS A 24 -24.778 18.990 -1.126 1.00 40.55 A N ATOM 175 CA LYS A 24 -24.401 20.038 -0.134 1.00 41.45 A C ATOM 176 CB LYS A 24 -25.275 21.325 -0.276 1.00 42.99 A C ATOM 177 CG LYS A 24 -24.525 22.681 0.114 1.00 46.59 A C ATOM 178 CD LYS A 24 -25.107 23.975 -0.551 1.00 51.27 A C ATOM 179 CE LYS A 24 -24.513 25.346 0.027 1.00 54.21 A C ATOM 180 NZ LYS A 24 -22.978 25.526 0.004 1.00 53.83 A N ATOM 181 C LYS A 24 -24.496 19.531 1.288 1.00 40.64 A C ATOM 182 O LYS A 24 -23.844 20.029 2.190 1.00 41.49 A O ATOM 183 N SER A 25 -25.290 18.495 1.465 1.00 40.17 A N ATOM 184 CA SER A 25 -25.464 17.815 2.744 1.00 39.85 A C ATOM 185 CB SER A 25 -26.532 16.762 2.531 1.00 40.06 A C ATOM 186 OG SER A 25 -27.257 16.583 3.697 1.00 44.20 A O ATOM 187 C SER A 25 -24.214 17.081 3.190 1.00 38.93 A C ATOM 188 O SER A 25 -24.065 16.767 4.377 1.00 39.16 A O ATOM 189 N CYS A 26 -23.351 16.740 2.238 1.00 36.53 A N ATOM 190 CA CYS A 26 -22.205 15.872 2.538 1.00 35.33 A C ATOM 191 CB CYS A 26 -21.622 15.312 1.253 1.00 35.26 A C ATOM 192 SG CYS A 26 -22.699 14.229 0.436 1.00 34.23 A S ATOM 193 C CYS A 26 -21.098 16.647 3.192 1.00 35.50 A C ATOM 194 O CYS A 26 -20.774 17.745 2.738 1.00 35.93 A O ATOM 195 N LYS A 27 -20.451 16.059 4.200 1.00 33.34 A N ATOM 196 CA LYS A 27 -19.314 16.717 4.801 1.00 32.44 A C ATOM 197 CB LYS A 27 -19.241 16.487 6.341 1.00 32.09 A C ATOM 198 CG LYS A 27 -20.461 17.012 7.116 1.00 31.29 A C ATOM 199 CD LYS A 27 -20.780 18.497 6.840 1.00 35.65 A C ATOM 200 CE LYS A 27 -19.794 19.439 7.573 1.00 39.42 A C ATOM 201 NZ LYS A 27 -20.270 20.867 7.673 1.00 43.17 A N ATOM 202 C LYS A 27 -18.012 16.304 4.097 1.00 31.59 A C ATOM 203 O LYS A 27 -17.126 17.157 3.845 1.00 30.20 A O ATOM 204 N GLN A 28 -17.885 15.000 3.832 1.00 30.31 A N ATOM 205 CA GLN A 28 -16.794 14.475 3.010 1.00 29.61 A C ATOM 206 CB GLN A 28 -16.065 13.384 3.768 1.00 29.36 A C ATOM 207 CG GLN A 28 -16.984 12.137 4.034 1.00 29.99 A C ATOM 208 CD GLN A 28 -16.214 10.963 4.590 1.00 37.18 A C ATOM 209 OE1 GLN A 28 -15.360 11.142 5.466 1.00 39.97 A O ATOM 210 NE2 GLN A 28 -16.534 9.746 4.126 1.00 35.86 A N ATOM 211 C GLN A 28 -17.402 13.850 1.735 1.00 29.04 A C ATOM 212 O GLN A 28 -18.604 13.556 1.710 1.00 29.40 A O ATOM 213 N PHE A 29 -16.587 13.628 0.709 1.00 28.17 A N ATOM 214 CA PHE A 29 -17.053 12.938 -0.480 1.00 28.20 A C ATOM 215 CB PHE A 29 -17.423 13.933 -1.562 1.00 27.79 A C ATOM 216 CG PHE A 29 -18.170 13.312 -2.732 1.00 28.13 A C ATOM 217 CD1 PHE A 29 -19.555 13.052 -2.651 1.00 28.27 A C ATOM 218 CE1 PHE A 29 -20.273 12.514 -3.746 1.00 28.15 A C ATOM 219 CZ PHE A 29 -19.588 12.205 -4.937 1.00 29.06 A C ATOM 220 CE2 PHE A 29 -18.197 12.432 -5.030 1.00 28.32 A C ATOM 221 CD2 PHE A 29 -17.503 13.023 -3.932 1.00 27.79 A C ATOM 222 C PHE A 29 -16.002 12.000 -0.996 1.00 28.41 A C ATOM 223 O PHE A 29 -14.835 12.370 -1.139 1.00 28.28 A O ATOM 224 N THR A 30 -16.388 10.762 -1.286 1.00 29.90 A N ATOM 225 CA THR A 30 -15.395 9.859 -1.850 1.00 29.57 A C ATOM 226 CB THR A 30 -15.052 8.730 -0.924 1.00 29.87 A C ATOM 227 OG1 THR A 30 -15.251 7.462 -1.557 1.00 32.87 A O ATOM 228 CG2 THR A 30 -15.739 8.891 0.380 1.00 28.13 A C ATOM 229 C THR A 30 -15.618 9.413 -3.297 1.00 30.07 A C ATOM 230 O THR A 30 -16.723 9.136 -3.703 1.00 28.86 A O ATOM 231 N VAL A 31 -14.523 9.377 -4.060 1.00 30.28 A N ATOM 232 CA VAL A 31 -14.495 8.822 -5.402 1.00 29.73 A C ATOM 233 CB VAL A 31 -13.828 9.811 -6.403 1.00 30.17 A C ATOM 234 CG1 VAL A 31 -13.782 9.214 -7.839 1.00 27.82 A C ATOM 235 CG2 VAL A 31 -14.558 11.148 -6.365 1.00 28.77 A C ATOM 236 C VAL A 31 -13.716 7.491 -5.353 1.00 30.93 A C ATOM 237 O VAL A 31 -12.552 7.447 -4.922 1.00 30.35 A O ATOM 238 N ASN A 32 -14.359 6.410 -5.772 1.00 31.21 A N ATOM 239 CA ASN A 32 -13.634 5.162 -5.941 1.00 33.12 A C ATOM 240 CB ASN A 32 -14.483 4.021 -5.456 1.00 33.17 A C ATOM 241 CG ASN A 32 -14.959 4.248 -4.064 1.00 34.17 A C ATOM 242 OD1 ASN A 32 -14.174 4.494 -3.161 1.00 33.39 A O ATOM 243 ND2 ASN A 32 -16.260 4.164 -3.875 1.00 38.65 A N ATOM 244 C ASN A 32 -13.289 4.958 -7.399 1.00 33.26 A C ATOM 245 O ASN A 32 -14.157 4.725 -8.195 1.00 34.02 A O ATOM 246 N LEU A 33 -12.036 5.108 -7.776 1.00 33.30 A N ATOM 247 CA LEU A 33 -11.724 4.880 -9.165 1.00 34.17 A C ATOM 248 CB LEU A 33 -10.690 5.889 -9.646 1.00 32.73 A C ATOM 249 CG LEU A 33 -10.152 5.874 -11.096 1.00 29.45 A C ATOM 250 CD1 LEU A 33 -11.037 6.554 -12.172 1.00 22.48 A C ATOM 251 CD2 LEU A 33 -8.837 6.619 -10.990 1.00 23.59 A C ATOM 252 C LEU A 33 -11.240 3.441 -9.351 1.00 35.85 A C ATOM 253 O LEU A 33 -10.505 2.897 -8.521 1.00 36.07 A O ATOM 254 N SER A 34 -11.639 2.835 -10.456 1.00 38.92 A N ATOM 255 CA SER A 34 -11.055 1.560 -10.828 1.00 42.40 A C ATOM 256 CB SER A 34 -11.990 0.439 -10.410 1.00 43.08 A C ATOM 257 OG SER A 34 -13.201 0.572 -11.135 1.00 42.05 A O ATOM 258 C SER A 34 -10.731 1.441 -12.320 1.00 44.72 A C ATOM 259 O SER A 34 -11.248 2.196 -13.149 1.00 44.02 A O ATOM 260 N HIS A 35 -9.893 0.449 -12.630 1.00 48.76 A N ATOM 261 CA HIS A 35 -9.263 0.278 -13.948 1.00 52.13 A C ATOM 262 CB HIS A 35 -7.730 0.375 -13.775 1.00 52.99 A C ATOM 263 CG HIS A 35 -6.951 0.511 -15.056 1.00 56.33 A C ATOM 264 ND1 HIS A 35 -7.058 -0.385 -16.102 1.00 60.34 A N ATOM 265 CE1 HIS A 35 -6.235 -0.028 -17.074 1.00 61.31 A C ATOM 266 NE2 HIS A 35 -5.581 1.050 -16.687 1.00 62.09 A N ATOM 267 CD2 HIS A 35 -6.004 1.405 -15.427 1.00 58.06 A C ATOM 268 C HIS A 35 -9.590 -1.111 -14.478 1.00 53.53 A C ATOM 269 O HIS A 35 -9.046 -2.082 -13.964 1.00 54.49 A O ATOM 270 N PRO A 36 -10.492 -1.207 -15.485 1.00 55.27 A N ATOM 271 CA PRO A 36 -10.669 -2.372 -16.375 1.00 55.95 A C ATOM 272 CB PRO A 36 -11.956 -2.038 -17.140 1.00 56.72 A C ATOM 273 CG PRO A 36 -12.134 -0.559 -17.002 1.00 55.69 A C ATOM 274 CD PRO A 36 -11.584 -0.227 -15.652 1.00 55.29 A C ATOM 275 C PRO A 36 -9.545 -2.524 -17.406 1.00 56.64 A C ATOM 276 O PRO A 36 -9.134 -1.546 -18.029 1.00 56.63 A O ATOM 277 N GLY A 37 -9.069 -3.747 -17.599 1.00 57.21 A N ATOM 278 CA GLY A 37 -8.053 -3.993 -18.614 1.00 57.63 A C ATOM 279 C GLY A 37 -6.846 -4.679 -18.022 1.00 57.94 A C ATOM 280 O GLY A 37 -6.871 -5.055 -16.850 1.00 57.62 A O ATOM 281 N ASN A 38 -5.795 -4.813 -18.836 1.00 58.40 A N ATOM 282 CA ASN A 38 -4.621 -5.652 -18.536 1.00 59.24 A C ATOM 283 CB ASN A 38 -4.527 -6.835 -19.525 1.00 60.24 A C ATOM 284 CG ASN A 38 -5.884 -7.497 -19.799 1.00 63.52 A C ATOM 285 OD1 ASN A 38 -6.585 -7.934 -18.859 1.00 66.02 A O ATOM 286 ND2 ASN A 38 -6.251 -7.593 -21.097 1.00 64.54 A N ATOM 287 C ASN A 38 -3.280 -4.909 -18.555 1.00 58.33 A C ATOM 288 O ASN A 38 -2.236 -5.500 -18.304 1.00 58.77 A O ATOM 289 N LEU A 39 -3.303 -3.615 -18.830 1.00 57.45 A N ATOM 290 CA LEU A 39 -2.050 -2.874 -19.000 1.00 56.16 A C ATOM 291 CB LEU A 39 -2.161 -1.969 -20.233 1.00 56.12 A C ATOM 292 CG LEU A 39 -2.556 -2.814 -21.448 1.00 56.13 A C ATOM 293 CD1 LEU A 39 -3.233 -2.029 -22.556 1.00 55.97 A C ATOM 294 CD2 LEU A 39 -1.325 -3.579 -21.963 1.00 57.42 A C ATOM 295 C LEU A 39 -1.562 -2.108 -17.750 1.00 55.45 A C ATOM 296 O LEU A 39 -2.380 -1.560 -16.987 1.00 54.21 A O ATOM 297 N PRO A 40 -0.219 -2.064 -17.553 1.00 54.88 A N ATOM 298 CA PRO A 40 0.469 -1.381 -16.427 1.00 54.47 A C ATOM 299 CB PRO A 40 1.934 -1.805 -16.596 1.00 54.79 A C ATOM 300 CG PRO A 40 2.075 -2.082 -18.082 1.00 55.00 A C ATOM 301 CD PRO A 40 0.742 -2.689 -18.488 1.00 54.64 A C ATOM 302 C PRO A 40 0.358 0.144 -16.482 1.00 54.16 A C ATOM 303 O PRO A 40 0.182 0.714 -17.556 1.00 53.56 A O ATOM 304 N LYS A 41 0.461 0.792 -15.323 1.00 53.96 A N ATOM 305 CA LYS A 41 0.213 2.233 -15.228 1.00 53.61 A C ATOM 306 CB LYS A 41 0.210 2.751 -13.763 1.00 53.70 A C ATOM 307 CG LYS A 41 1.573 2.849 -13.038 1.00 55.88 A C ATOM 308 CD LYS A 41 1.464 3.640 -11.685 1.00 56.98 A C ATOM 309 CE LYS A 41 2.816 3.753 -10.940 1.00 58.69 A C ATOM 310 NZ LYS A 41 2.875 4.823 -9.863 1.00 62.04 A N ATOM 311 C LYS A 41 1.152 3.029 -16.137 1.00 52.90 A C ATOM 312 O LYS A 41 0.772 4.106 -16.603 1.00 52.43 A O ATOM 313 N ASN A 42 2.355 2.486 -16.399 1.00 52.08 A N ATOM 314 CA ASN A 42 3.366 3.181 -17.223 1.00 51.31 A C ATOM 315 CB ASN A 42 4.789 2.597 -17.059 1.00 51.16 A C ATOM 316 CG ASN A 42 5.028 1.309 -17.846 1.00 52.68 A C ATOM 317 OD1 ASN A 42 5.688 1.328 -18.899 1.00 55.14 A O ATOM 318 ND2 ASN A 42 4.524 0.183 -17.332 1.00 51.23 A N ATOM 319 C ASN A 42 2.926 3.298 -18.691 1.00 50.53 A C ATOM 320 O ASN A 42 3.328 4.213 -19.405 1.00 50.16 A O ATOM 321 N VAL A 43 2.036 2.395 -19.096 1.00 49.67 A N ATOM 322 CA VAL A 43 1.548 2.340 -20.465 1.00 48.79 A C ATOM 323 CB VAL A 43 1.737 0.913 -21.044 1.00 48.85 A C ATOM 324 CG1 VAL A 43 0.703 0.585 -22.093 1.00 48.62 A C ATOM 325 CG2 VAL A 43 3.118 0.785 -21.600 1.00 48.44 A C ATOM 326 C VAL A 43 0.117 2.883 -20.621 1.00 48.20 A C ATOM 327 O VAL A 43 -0.163 3.648 -21.562 1.00 48.54 A O ATOM 328 N MET A 44 -0.772 2.498 -19.699 1.00 46.69 A N ATOM 329 CA MET A 44 -2.151 2.954 -19.700 1.00 45.38 A C ATOM 330 CB MET A 44 -3.060 1.952 -20.405 1.00 45.37 A C ATOM 331 CG MET A 44 -4.466 2.439 -20.687 1.00 47.69 A C ATOM 332 SD MET A 44 -4.519 3.888 -21.759 1.00 56.19 A S ATOM 333 CE MET A 44 -4.339 3.248 -23.399 1.00 52.91 A C ATOM 334 C MET A 44 -2.630 3.258 -18.261 1.00 44.18 A C ATOM 335 O MET A 44 -3.614 2.689 -17.779 1.00 44.75 A O ATOM 336 N GLY A 45 -1.951 4.193 -17.602 1.00 42.74 A N ATOM 337 CA GLY A 45 -2.393 4.705 -16.294 1.00 40.12 A C ATOM 338 C GLY A 45 -3.654 5.552 -16.370 1.00 38.32 A C ATOM 339 O GLY A 45 -4.010 6.057 -17.436 1.00 38.33 A O ATOM 340 N HIS A 46 -4.354 5.667 -15.245 1.00 36.30 A N ATOM 341 CA HIS A 46 -5.544 6.488 -15.115 1.00 35.00 A C ATOM 342 CB HIS A 46 -6.874 5.714 -15.310 1.00 34.89 A C ATOM 343 CG HIS A 46 -7.027 5.031 -16.647 1.00 39.40 A C ATOM 344 ND1 HIS A 46 -7.161 5.715 -17.841 1.00 42.04 A N ATOM 345 CE1 HIS A 46 -7.261 4.850 -18.841 1.00 43.99 A C ATOM 346 NE2 HIS A 46 -7.238 3.629 -18.339 1.00 43.88 A N ATOM 347 CD2 HIS A 46 -7.100 3.714 -16.971 1.00 44.01 A C ATOM 348 C HIS A 46 -5.472 7.077 -13.709 1.00 33.36 A C ATOM 349 O HIS A 46 -5.099 6.391 -12.753 1.00 32.93 A O ATOM 350 N ASN A 47 -5.763 8.368 -13.600 1.00 32.22 A N ATOM 351 CA ASN A 47 -6.158 8.980 -12.287 1.00 31.35 A C ATOM 352 CB ASN A 47 -5.044 9.856 -11.644 1.00 30.35 A C ATOM 353 CG ASN A 47 -4.566 11.017 -12.536 1.00 30.72 A C ATOM 354 OD1 ASN A 47 -5.256 11.462 -13.458 1.00 31.18 A O ATOM 355 ND2 ASN A 47 -3.380 11.544 -12.213 1.00 28.98 A N ATOM 356 C ASN A 47 -7.444 9.771 -12.411 1.00 30.38 A C ATOM 357 O ASN A 47 -7.998 9.860 -13.502 1.00 28.87 A O ATOM 358 N TRP A 48 -7.909 10.329 -11.290 1.00 29.30 A N ATOM 359 CA TRP A 48 -9.081 11.183 -11.261 1.00 27.81 A C ATOM 360 CB TRP A 48 -10.257 10.490 -10.504 1.00 28.26 A C ATOM 361 CG TRP A 48 -11.534 11.306 -10.347 1.00 26.81 A C ATOM 362 CD1 TRP A 48 -12.658 11.258 -11.144 1.00 30.75 A C ATOM 363 NE1 TRP A 48 -13.615 12.147 -10.674 1.00 28.91 A N ATOM 364 CE2 TRP A 48 -13.116 12.768 -9.551 1.00 26.12 A C ATOM 365 CD2 TRP A 48 -11.821 12.258 -9.309 1.00 27.01 A C ATOM 366 CE3 TRP A 48 -11.094 12.736 -8.189 1.00 25.06 A C ATOM 367 CZ3 TRP A 48 -11.683 13.681 -7.359 1.00 23.47 A C ATOM 368 CH2 TRP A 48 -12.951 14.207 -7.663 1.00 29.52 A C ATOM 369 CZ2 TRP A 48 -13.684 13.758 -8.748 1.00 30.10 A C ATOM 370 C TRP A 48 -8.567 12.375 -10.506 1.00 28.02 A C ATOM 371 O TRP A 48 -8.110 12.220 -9.353 1.00 28.13 A O ATOM 372 N VAL A 49 -8.644 13.557 -11.123 1.00 26.85 A N ATOM 373 CA VAL A 49 -8.110 14.783 -10.540 1.00 26.88 A C ATOM 374 CB VAL A 49 -6.883 15.246 -11.386 1.00 27.83 A C ATOM 375 CG1 VAL A 49 -6.213 16.550 -10.857 1.00 25.17 A C ATOM 376 CG2 VAL A 49 -5.891 14.100 -11.499 1.00 26.14 A C ATOM 377 C VAL A 49 -9.264 15.818 -10.555 1.00 28.68 A C ATOM 378 O VAL A 49 -10.082 15.808 -11.484 1.00 28.82 A O ATOM 379 N LEU A 50 -9.363 16.677 -9.520 1.00 27.91 A N ATOM 380 CA LEU A 50 -10.407 17.657 -9.423 1.00 28.87 A C ATOM 381 CB LEU A 50 -11.267 17.401 -8.175 1.00 27.51 A C ATOM 382 CG LEU A 50 -12.436 18.326 -7.902 1.00 29.06 A C ATOM 383 CD1 LEU A 50 -13.582 18.233 -8.932 1.00 24.08 A C ATOM 384 CD2 LEU A 50 -12.977 18.057 -6.504 1.00 28.91 A C ATOM 385 C LEU A 50 -9.804 19.046 -9.363 1.00 30.84 A C ATOM 386 O LEU A 50 -8.953 19.324 -8.537 1.00 31.59 A O ATOM 387 N SER A 51 -10.238 19.937 -10.228 1.00 32.08 A N ATOM 388 CA SER A 51 -9.938 21.315 -9.989 1.00 33.96 A C ATOM 389 CB SER A 51 -8.648 21.720 -10.699 1.00 34.44 A C ATOM 390 OG SER A 51 -8.803 21.665 -12.114 1.00 34.22 A O ATOM 391 C SER A 51 -11.084 22.153 -10.495 1.00 35.90 A C ATOM 392 O SER A 51 -11.982 21.671 -11.247 1.00 37.16 A O ATOM 393 N THR A 52 -11.040 23.413 -10.089 1.00 36.42 A N ATOM 394 CA THR A 52 -11.743 24.503 -10.761 1.00 37.80 A C ATOM 395 CB THR A 52 -11.075 25.822 -10.243 1.00 38.18 A C ATOM 396 OG1 THR A 52 -11.966 26.497 -9.364 1.00 38.18 A O ATOM 397 CG2 THR A 52 -10.607 26.723 -11.316 1.00 38.51 A C ATOM 398 C THR A 52 -11.689 24.314 -12.298 1.00 37.23 A C ATOM 399 O THR A 52 -10.703 23.802 -12.826 1.00 36.25 A O ATOM 400 N ALA A 53 -12.770 24.635 -12.997 1.00 37.76 A N ATOM 401 CA ALA A 53 -12.723 24.635 -14.461 1.00 39.34 A C ATOM 402 CB ALA A 53 -14.077 24.994 -15.064 1.00 40.35 A C ATOM 403 C ALA A 53 -11.616 25.502 -15.064 1.00 40.18 A C ATOM 404 O ALA A 53 -10.895 25.059 -15.962 1.00 40.74 A O ATOM 405 N ALA A 54 -11.472 26.737 -14.584 1.00 41.62 A N ATOM 406 CA ALA A 54 -10.370 27.587 -15.058 1.00 42.46 A C ATOM 407 CB ALA A 54 -10.335 28.916 -14.274 1.00 41.91 A C ATOM 408 C ALA A 54 -9.003 26.882 -15.017 1.00 42.39 A C ATOM 409 O ALA A 54 -8.201 26.981 -15.954 1.00 43.34 A O ATOM 410 N ASP A 55 -8.720 26.167 -13.933 1.00 42.57 A N ATOM 411 CA ASP A 55 -7.368 25.627 -13.756 1.00 42.54 A C ATOM 412 CB ASP A 55 -7.066 25.393 -12.278 1.00 42.58 A C ATOM 413 CG ASP A 55 -6.780 26.643 -11.564 1.00 41.29 A C ATOM 414 OD1 ASP A 55 -6.210 27.541 -12.206 1.00 42.70 A O ATOM 415 OD2 ASP A 55 -7.088 26.723 -10.370 1.00 41.76 A O ATOM 416 C ASP A 55 -7.144 24.343 -14.513 1.00 42.59 A C ATOM 417 O ASP A 55 -6.011 23.891 -14.622 1.00 42.73 A O ATOM 418 N MET A 56 -8.208 23.737 -15.021 1.00 42.39 A N ATOM 419 CA MET A 56 -8.050 22.371 -15.519 1.00 41.92 A C ATOM 420 CB MET A 56 -9.341 21.774 -16.088 1.00 41.80 A C ATOM 421 CG MET A 56 -9.063 20.408 -16.749 1.00 42.40 A C ATOM 422 SD MET A 56 -10.433 19.649 -17.633 1.00 42.85 A S ATOM 423 CE MET A 56 -9.545 18.939 -19.014 1.00 44.14 A C ATOM 424 C MET A 56 -6.871 22.207 -16.474 1.00 41.26 A C ATOM 425 O MET A 56 -5.992 21.386 -16.221 1.00 40.37 A O ATOM 426 N GLN A 57 -6.826 23.014 -17.535 1.00 41.45 A N ATOM 427 CA GLN A 57 -5.762 22.936 -18.554 1.00 41.71 A C ATOM 428 CB GLN A 57 -6.045 23.978 -19.656 1.00 43.21 A C ATOM 429 CG GLN A 57 -7.575 24.233 -19.872 1.00 48.19 A C ATOM 430 CD GLN A 57 -7.902 25.191 -21.033 1.00 53.81 A C ATOM 431 OE1 GLN A 57 -7.748 26.418 -20.902 1.00 54.05 A O ATOM 432 NE2 GLN A 57 -8.356 24.624 -22.181 1.00 54.64 A N ATOM 433 C GLN A 57 -4.316 23.068 -17.990 1.00 40.23 A C ATOM 434 O GLN A 57 -3.396 22.400 -18.437 1.00 39.94 A O ATOM 435 N GLY A 58 -4.124 23.915 -16.992 1.00 39.27 A N ATOM 436 CA GLY A 58 -2.778 24.125 -16.446 1.00 38.68 A C ATOM 437 C GLY A 58 -2.361 22.897 -15.668 1.00 38.15 A C ATOM 438 O GLY A 58 -1.247 22.432 -15.769 1.00 37.20 A O ATOM 439 N VAL A 59 -3.305 22.346 -14.919 1.00 37.86 A N ATOM 440 CA VAL A 59 -3.076 21.128 -14.179 1.00 36.36 A C ATOM 441 CB VAL A 59 -4.290 20.744 -13.291 1.00 36.27 A C ATOM 442 CG1 VAL A 59 -4.001 19.421 -12.567 1.00 35.25 A C ATOM 443 CG2 VAL A 59 -4.584 21.851 -12.283 1.00 34.36 A C ATOM 444 C VAL A 59 -2.741 20.002 -15.139 1.00 35.54 A C ATOM 445 O VAL A 59 -1.805 19.249 -14.891 1.00 35.16 A O ATOM 446 N VAL A 60 -3.469 19.905 -16.242 1.00 35.31 A N ATOM 447 CA VAL A 60 -3.205 18.820 -17.208 1.00 35.79 A C ATOM 448 CB VAL A 60 -4.314 18.712 -18.274 1.00 35.55 A C ATOM 449 CG1 VAL A 60 -3.835 17.936 -19.464 1.00 34.06 A C ATOM 450 CG2 VAL A 60 -5.569 18.067 -17.680 1.00 31.31 A C ATOM 451 C VAL A 60 -1.805 18.946 -17.839 1.00 37.13 A C ATOM 452 O VAL A 60 -1.019 17.953 -17.896 1.00 37.41 A O ATOM 453 N THR A 61 -1.477 20.189 -18.220 1.00 37.48 A N ATOM 454 CA THR A 61 -0.243 20.511 -18.956 1.00 38.02 A C ATOM 455 CB THR A 61 -0.265 21.948 -19.500 1.00 38.21 A C ATOM 456 OG1 THR A 61 -1.493 22.177 -20.207 1.00 36.77 A O ATOM 457 CG2 THR A 61 0.878 22.137 -20.454 1.00 36.46 A C ATOM 458 C THR A 61 1.002 20.328 -18.118 1.00 38.49 A C ATOM 459 O THR A 61 1.930 19.671 -18.544 1.00 39.57 A O ATOM 460 N ASP A 62 1.002 20.901 -16.916 1.00 40.19 A N ATOM 461 CA ASP A 62 2.093 20.754 -15.940 1.00 40.48 A C ATOM 462 CB ASP A 62 1.853 21.699 -14.750 1.00 41.49 A C ATOM 463 CG ASP A 62 1.983 23.184 -15.145 1.00 43.14 A C ATOM 464 OD1 ASP A 62 2.714 23.431 -16.140 1.00 43.88 A O ATOM 465 OD2 ASP A 62 1.386 24.075 -14.473 1.00 41.68 A O ATOM 466 C ASP A 62 2.269 19.312 -15.487 1.00 40.80 A C ATOM 467 O ASP A 62 3.401 18.828 -15.385 1.00 42.13 A O ATOM 468 N GLY A 63 1.163 18.617 -15.224 1.00 40.66 A N ATOM 469 CA GLY A 63 1.205 17.170 -14.960 1.00 40.76 A C ATOM 470 C GLY A 63 1.777 16.313 -16.082 1.00 41.54 A C ATOM 471 O GLY A 63 2.559 15.408 -15.838 1.00 41.61 A O ATOM 472 N MET A 64 1.393 16.562 -17.329 1.00 42.19 A N ATOM 473 CA MET A 64 2.045 15.826 -18.420 1.00 43.08 A C ATOM 474 CB MET A 64 1.526 16.266 -19.798 1.00 42.89 A C ATOM 475 CG MET A 64 2.115 15.413 -20.929 1.00 42.92 A C ATOM 476 SD MET A 64 1.317 15.642 -22.526 1.00 43.38 A S ATOM 477 CE MET A 64 1.878 17.342 -22.851 1.00 41.95 A C ATOM 478 C MET A 64 3.582 15.954 -18.370 1.00 43.66 A C ATOM 479 O MET A 64 4.286 14.950 -18.482 1.00 45.11 A O ATOM 480 N ALA A 65 4.076 17.181 -18.214 1.00 43.45 A N ATOM 481 CA ALA A 65 5.500 17.502 -18.084 1.00 43.69 A C ATOM 482 CB ALA A 65 5.663 19.020 -18.088 1.00 43.49 A C ATOM 483 C ALA A 65 6.216 16.908 -16.846 1.00 44.48 A C ATOM 484 O ALA A 65 7.401 16.537 -16.926 1.00 43.83 A O ATOM 485 N SER A 66 5.526 16.849 -15.696 1.00 44.18 A N ATOM 486 CA SER A 66 6.050 16.094 -14.563 1.00 44.30 A C ATOM 487 CB SER A 66 5.225 16.415 -13.335 1.00 44.06 A C ATOM 488 OG SER A 66 5.298 17.815 -13.164 1.00 46.90 A O ATOM 489 C SER A 66 5.879 14.654 -15.027 1.00 44.10 A C ATOM 490 O SER A 66 5.063 14.408 -15.897 1.00 44.98 A O ATOM 491 N GLY A 67 6.632 13.685 -14.562 1.00 43.17 A N ATOM 492 CA GLY A 67 6.529 12.447 -15.363 1.00 42.41 A C ATOM 493 C GLY A 67 5.611 11.397 -14.787 1.00 42.24 A C ATOM 494 O GLY A 67 4.779 11.714 -13.933 1.00 42.70 A O ATOM 495 N LEU A 68 5.778 10.145 -15.227 1.00 41.59 A N ATOM 496 CA LEU A 68 5.140 8.986 -14.588 1.00 42.29 A C ATOM 497 CB LEU A 68 5.641 7.717 -15.276 1.00 41.61 A C ATOM 498 CG LEU A 68 5.460 6.328 -14.673 1.00 41.77 A C ATOM 499 CD1 LEU A 68 4.009 5.999 -14.437 1.00 40.44 A C ATOM 500 CD2 LEU A 68 6.133 5.256 -15.555 1.00 39.97 A C ATOM 501 C LEU A 68 5.445 8.962 -13.054 1.00 43.77 A C ATOM 502 O LEU A 68 4.585 8.583 -12.196 1.00 44.27 A O ATOM 503 N ASP A 69 6.658 9.429 -12.743 1.00 43.31 A N ATOM 504 CA ASP A 69 7.291 9.339 -11.447 1.00 44.55 A C ATOM 505 CB ASP A 69 8.775 9.693 -11.629 1.00 45.21 A C ATOM 506 CG ASP A 69 9.414 8.887 -12.764 1.00 51.08 A C ATOM 507 OD1 ASP A 69 9.785 7.705 -12.481 1.00 51.63 A O ATOM 508 OD2 ASP A 69 9.488 9.414 -13.943 1.00 54.98 A O ATOM 509 C ASP A 69 6.656 10.252 -10.426 1.00 43.32 A C ATOM 510 O ASP A 69 6.864 10.079 -9.223 1.00 43.22 A O ATOM 511 N LYS A 70 5.919 11.247 -10.928 1.00 42.48 A N ATOM 512 CA LYS A 70 5.119 12.150 -10.109 1.00 40.96 A C ATOM 513 CB LYS A 70 5.443 13.617 -10.465 1.00 41.63 A C ATOM 514 CG LYS A 70 6.929 13.977 -10.329 1.00 44.27 A C ATOM 515 CD LYS A 70 7.398 13.884 -8.862 1.00 43.51 A C ATOM 516 CE LYS A 70 8.902 14.258 -8.673 1.00 45.28 A C ATOM 517 NZ LYS A 70 9.731 13.056 -8.364 1.00 47.29 A N ATOM 518 C LYS A 70 3.610 11.879 -10.322 1.00 39.70 A C ATOM 519 O LYS A 70 2.768 12.696 -9.929 1.00 39.22 A O ATOM 520 N ASP A 71 3.284 10.739 -10.943 1.00 37.00 A N ATOM 521 CA ASP A 71 1.907 10.389 -11.240 1.00 35.28 A C ATOM 522 CB ASP A 71 1.130 10.161 -9.949 1.00 34.90 A C ATOM 523 CG ASP A 71 1.200 8.729 -9.464 1.00 35.12 A C ATOM 524 OD1 ASP A 71 2.050 7.949 -9.970 1.00 31.83 A O ATOM 525 OD2 ASP A 71 0.362 8.393 -8.571 1.00 35.32 A O ATOM 526 C ASP A 71 1.204 11.453 -12.111 1.00 34.55 A C ATOM 527 O ASP A 71 0.012 11.738 -11.946 1.00 33.52 A O ATOM 528 N TYR A 72 1.971 12.064 -13.004 1.00 32.84 A N ATOM 529 CA TYR A 72 1.444 13.016 -13.938 1.00 31.52 A C ATOM 530 CB TYR A 72 0.565 12.328 -14.984 1.00 30.29 A C ATOM 531 CG TYR A 72 1.430 11.491 -15.890 1.00 30.65 A C ATOM 532 CD1 TYR A 72 2.374 12.102 -16.754 1.00 31.73 A C ATOM 533 CE1 TYR A 72 3.201 11.340 -17.578 1.00 31.34 A C ATOM 534 CZ TYR A 72 3.088 9.947 -17.529 1.00 32.00 A C ATOM 535 OH TYR A 72 3.870 9.144 -18.319 1.00 32.52 A O ATOM 536 CE2 TYR A 72 2.184 9.329 -16.675 1.00 32.65 A C ATOM 537 CD2 TYR A 72 1.361 10.102 -15.860 1.00 30.82 A C ATOM 538 C TYR A 72 0.784 14.183 -13.258 1.00 31.67 A C ATOM 539 O TYR A 72 -0.217 14.755 -13.752 1.00 30.25 A O ATOM 540 N LEU A 73 1.363 14.554 -12.123 1.00 31.83 A N ATOM 541 CA LEU A 73 0.943 15.780 -11.436 1.00 32.49 A C ATOM 542 CB LEU A 73 0.198 15.440 -10.120 1.00 32.23 A C ATOM 543 CG LEU A 73 -1.282 15.056 -10.259 1.00 30.91 A C ATOM 544 CD1 LEU A 73 -1.958 14.851 -8.937 1.00 29.06 A C ATOM 545 CD2 LEU A 73 -2.054 16.055 -11.074 1.00 31.27 A C ATOM 546 C LEU A 73 2.131 16.660 -11.133 1.00 33.15 A C ATOM 547 O LEU A 73 3.122 16.184 -10.589 1.00 32.45 A O ATOM 548 N LYS A 74 2.060 17.951 -11.439 1.00 35.27 A N ATOM 549 CA LYS A 74 3.115 18.853 -10.910 1.00 36.88 A C ATOM 550 CB LYS A 74 2.873 20.299 -11.282 1.00 37.94 A C ATOM 551 CG LYS A 74 4.052 21.210 -10.946 1.00 38.96 A C ATOM 552 CD LYS A 74 3.916 22.546 -11.709 1.00 45.76 A C ATOM 553 CE LYS A 74 2.747 23.443 -11.257 1.00 45.22 A C ATOM 554 NZ LYS A 74 3.279 24.547 -10.416 1.00 48.92 A N ATOM 555 C LYS A 74 3.146 18.797 -9.400 1.00 37.68 A C ATOM 556 O LYS A 74 2.088 18.929 -8.785 1.00 38.45 A O ATOM 557 N PRO A 75 4.351 18.620 -8.785 1.00 38.10 A N ATOM 558 CA PRO A 75 4.404 18.559 -7.315 1.00 38.45 A C ATOM 559 CB PRO A 75 5.885 18.211 -7.038 1.00 39.31 A C ATOM 560 CG PRO A 75 6.343 17.509 -8.328 1.00 38.05 A C ATOM 561 CD PRO A 75 5.673 18.352 -9.381 1.00 37.15 A C ATOM 562 C PRO A 75 3.960 19.853 -6.655 1.00 38.82 A C ATOM 563 O PRO A 75 4.186 20.914 -7.216 1.00 39.68 A O ATOM 564 N ASP A 76 3.269 19.754 -5.513 1.00 39.27 A N ATOM 565 CA ASP A 76 2.658 20.906 -4.795 1.00 40.05 A C ATOM 566 CB ASP A 76 3.713 21.771 -4.088 1.00 40.09 A C ATOM 567 CG ASP A 76 4.679 20.947 -3.268 1.00 40.73 A C ATOM 568 OD1 ASP A 76 4.225 20.298 -2.311 1.00 42.65 A O ATOM 569 OD2 ASP A 76 5.876 20.902 -3.610 1.00 40.35 A O ATOM 570 C ASP A 76 1.707 21.806 -5.629 1.00 40.81 A C ATOM 571 O ASP A 76 1.616 23.020 -5.388 1.00 41.18 A O ATOM 572 N ASP A 77 0.974 21.205 -6.575 1.00 40.23 A N ATOM 573 CA ASP A 77 -0.002 21.945 -7.393 1.00 39.21 A C ATOM 574 CB ASP A 77 -0.448 21.068 -8.563 1.00 38.67 A C ATOM 575 CG ASP A 77 -1.085 21.852 -9.649 1.00 37.69 A C ATOM 576 OD1 ASP A 77 -1.625 22.939 -9.337 1.00 39.84 A O ATOM 577 OD2 ASP A 77 -1.008 21.407 -10.811 1.00 31.02 A O ATOM 578 C ASP A 77 -1.217 22.374 -6.568 1.00 39.46 A C ATOM 579 O ASP A 77 -2.102 21.554 -6.306 1.00 39.70 A O ATOM 580 N SER A 78 -1.262 23.649 -6.146 1.00 38.93 A N ATOM 581 CA SER A 78 -2.288 24.111 -5.204 1.00 39.45 A C ATOM 582 CB SER A 78 -1.878 25.442 -4.550 1.00 39.28 A C ATOM 583 OG SER A 78 -1.808 26.453 -5.547 1.00 42.45 A O ATOM 584 C SER A 78 -3.640 24.266 -5.909 1.00 38.99 A C ATOM 585 O SER A 78 -4.666 24.571 -5.287 1.00 38.91 A O ATOM 586 N ARG A 79 -3.639 24.057 -7.219 1.00 38.49 A N ATOM 587 CA ARG A 79 -4.900 24.120 -7.986 1.00 37.67 A C ATOM 588 CB ARG A 79 -4.616 24.325 -9.457 1.00 37.88 A C ATOM 589 CG ARG A 79 -3.823 25.551 -9.753 1.00 39.58 A C ATOM 590 CD ARG A 79 -3.524 25.561 -11.225 1.00 39.26 A C ATOM 591 NE ARG A 79 -2.439 24.668 -11.515 1.00 41.03 A N ATOM 592 CZ ARG A 79 -1.648 24.821 -12.561 1.00 45.39 A C ATOM 593 NH1 ARG A 79 -1.868 25.854 -13.395 1.00 44.86 A N ATOM 594 NH2 ARG A 79 -0.661 23.942 -12.775 1.00 46.06 A N ATOM 595 C ARG A 79 -5.663 22.800 -7.832 1.00 36.43 A C ATOM 596 O ARG A 79 -6.866 22.781 -8.019 1.00 36.21 A O ATOM 597 N VAL A 80 -4.957 21.713 -7.491 1.00 33.95 A N ATOM 598 CA VAL A 80 -5.634 20.416 -7.251 1.00 33.29 A C ATOM 599 CB VAL A 80 -4.638 19.231 -7.302 1.00 33.22 A C ATOM 600 CG1 VAL A 80 -5.375 17.931 -7.166 1.00 30.19 A C ATOM 601 CG2 VAL A 80 -3.843 19.283 -8.615 1.00 29.15 A C ATOM 602 C VAL A 80 -6.467 20.356 -5.964 1.00 33.15 A C ATOM 603 O VAL A 80 -5.943 20.336 -4.876 1.00 33.44 A O ATOM 604 N ILE A 81 -7.781 20.348 -6.099 1.00 32.66 A N ATOM 605 CA ILE A 81 -8.655 20.225 -4.924 1.00 32.24 A C ATOM 606 CB ILE A 81 -10.130 20.607 -5.296 1.00 31.38 A C ATOM 607 CG1 ILE A 81 -10.230 22.072 -5.755 1.00 31.49 A C ATOM 608 CD1 ILE A 81 -11.519 22.370 -6.461 1.00 31.91 A C ATOM 609 CG2 ILE A 81 -11.080 20.260 -4.172 1.00 31.25 A C ATOM 610 C ILE A 81 -8.573 18.793 -4.331 1.00 31.99 A C ATOM 611 O ILE A 81 -8.543 18.615 -3.108 1.00 33.32 A O ATOM 612 N ALA A 82 -8.541 17.775 -5.191 1.00 30.85 A N ATOM 613 CA ALA A 82 -8.404 16.394 -4.733 1.00 29.92 A C ATOM 614 CB ALA A 82 -9.735 15.863 -4.188 1.00 29.89 A C ATOM 615 C ALA A 82 -7.964 15.496 -5.860 1.00 30.29 A C ATOM 616 O ALA A 82 -8.171 15.813 -7.052 1.00 29.25 A O ATOM 617 N HIS A 83 -7.427 14.325 -5.516 1.00 28.85 A N ATOM 618 CA HIS A 83 -7.080 13.427 -6.590 1.00 29.38 A C ATOM 619 CB HIS A 83 -5.877 14.030 -7.340 1.00 29.38 A C ATOM 620 CG HIS A 83 -4.634 14.019 -6.524 1.00 32.50 A C ATOM 621 ND1 HIS A 83 -3.732 12.978 -6.576 1.00 34.10 A N ATOM 622 CE1 HIS A 83 -2.757 13.202 -5.716 1.00 31.74 A C ATOM 623 NE2 HIS A 83 -3.011 14.335 -5.088 1.00 35.10 A N ATOM 624 CD2 HIS A 83 -4.187 14.857 -5.564 1.00 33.56 A C ATOM 625 C HIS A 83 -6.771 12.044 -6.044 1.00 28.32 A C ATOM 626 O HIS A 83 -6.377 11.916 -4.908 1.00 28.78 A O ATOM 627 N THR A 84 -6.959 11.019 -6.860 1.00 27.54 A N ATOM 628 CA THR A 84 -6.502 9.680 -6.555 1.00 27.02 A C ATOM 629 CB THR A 84 -7.230 8.689 -7.399 1.00 27.18 A C ATOM 630 OG1 THR A 84 -6.834 8.915 -8.761 1.00 27.96 A O ATOM 631 CG2 THR A 84 -8.694 8.874 -7.257 1.00 24.49 A C ATOM 632 C THR A 84 -5.043 9.520 -6.979 1.00 27.74 A C ATOM 633 O THR A 84 -4.471 10.431 -7.598 1.00 28.20 A O ATOM 634 N LYS A 85 -4.474 8.346 -6.693 1.00 27.17 A N ATOM 635 CA LYS A 85 -3.158 7.939 -7.192 1.00 28.93 A C ATOM 636 CB LYS A 85 -2.778 6.564 -6.618 1.00 28.68 A C ATOM 637 CG LYS A 85 -2.011 6.564 -5.343 1.00 35.93 A C ATOM 638 CD LYS A 85 -1.424 5.123 -5.095 1.00 45.23 A C ATOM 639 CE LYS A 85 -2.111 4.412 -3.925 1.00 48.55 A C ATOM 640 NZ LYS A 85 -1.676 2.954 -3.765 1.00 53.12 A N ATOM 641 C LYS A 85 -3.299 7.717 -8.680 1.00 28.28 A C ATOM 642 O LYS A 85 -4.406 7.559 -9.169 1.00 27.52 A O ATOM 643 N LEU A 86 -2.177 7.642 -9.392 1.00 28.90 A N ATOM 644 CA LEU A 86 -2.192 7.045 -10.750 1.00 29.07 A C ATOM 645 CB LEU A 86 -1.001 7.537 -11.571 1.00 27.75 A C ATOM 646 CG LEU A 86 -0.919 7.077 -13.029 1.00 28.77 A C ATOM 647 CD1 LEU A 86 -1.802 8.047 -13.824 1.00 30.18 A C ATOM 648 CD2 LEU A 86 0.562 7.185 -13.525 1.00 23.74 A C ATOM 649 C LEU A 86 -2.184 5.511 -10.681 1.00 29.76 A C ATOM 650 O LEU A 86 -1.227 4.906 -10.181 1.00 30.01 A O ATOM 651 N ILE A 87 -3.220 4.891 -11.235 1.00 31.16 A N ATOM 652 CA ILE A 87 -3.392 3.458 -11.166 1.00 32.18 A C ATOM 653 CB ILE A 87 -4.743 3.080 -10.476 1.00 31.74 A C ATOM 654 CG1 ILE A 87 -5.942 3.612 -11.252 1.00 30.19 A C ATOM 655 CD1 ILE A 87 -7.260 2.988 -10.889 1.00 24.72 A C ATOM 656 CG2 ILE A 87 -4.819 3.610 -9.006 1.00 31.64 A C ATOM 657 C ILE A 87 -3.301 2.802 -12.563 1.00 35.43 A C ATOM 658 O ILE A 87 -3.594 3.429 -13.605 1.00 35.18 A O ATOM 659 N GLY A 88 -2.893 1.544 -12.572 1.00 38.24 A N ATOM 660 CA GLY A 88 -2.936 0.717 -13.774 1.00 42.86 A C ATOM 661 C GLY A 88 -3.955 -0.402 -13.601 1.00 46.06 A C ATOM 662 O GLY A 88 -4.687 -0.452 -12.585 1.00 46.94 A O ATOM 663 N SER A 89 -4.003 -1.320 -14.569 1.00 48.18 A N ATOM 664 CA SER A 89 -5.078 -2.325 -14.600 1.00 50.34 A C ATOM 665 CB SER A 89 -5.062 -3.090 -15.911 1.00 51.01 A C ATOM 666 OG SER A 89 -3.907 -3.909 -16.020 1.00 52.10 A O ATOM 667 C SER A 89 -5.060 -3.278 -13.404 1.00 51.26 A C ATOM 668 O SER A 89 -3.992 -3.639 -12.891 1.00 51.26 A O ATOM 669 N GLY A 90 -6.259 -3.644 -12.948 1.00 52.92 A N ATOM 670 CA GLY A 90 -6.421 -4.501 -11.770 1.00 54.00 A C ATOM 671 C GLY A 90 -6.193 -3.732 -10.475 1.00 54.81 A C ATOM 672 O GLY A 90 -6.240 -4.316 -9.365 1.00 55.66 A O ATOM 673 N GLU A 91 -5.944 -2.422 -10.606 1.00 54.50 A N ATOM 674 CA GLU A 91 -5.744 -1.567 -9.443 1.00 53.31 A C ATOM 675 CB GLU A 91 -4.520 -0.712 -9.637 1.00 54.08 A C ATOM 676 CG GLU A 91 -3.237 -1.462 -9.438 1.00 56.01 A C ATOM 677 CD GLU A 91 -2.068 -0.755 -10.073 1.00 58.87 A C ATOM 678 OE1 GLU A 91 -1.181 -1.491 -10.572 1.00 63.50 A O ATOM 679 OE2 GLU A 91 -2.040 0.511 -10.097 1.00 55.25 A O ATOM 680 C GLU A 91 -6.936 -0.671 -9.234 1.00 51.99 A C ATOM 681 O GLU A 91 -7.571 -0.244 -10.196 1.00 51.10 A O ATOM 682 N LYS A 92 -7.210 -0.401 -7.956 1.00 50.07 A N ATOM 683 CA LYS A 92 -8.279 0.491 -7.530 1.00 48.45 A C ATOM 684 CB LYS A 92 -9.337 -0.275 -6.717 1.00 48.64 A C ATOM 685 CG LYS A 92 -9.434 -1.768 -7.031 1.00 52.15 A C ATOM 686 CD LYS A 92 -10.840 -2.363 -6.774 1.00 58.20 A C ATOM 687 CE LYS A 92 -11.781 -2.268 -8.004 1.00 60.11 A C ATOM 688 NZ LYS A 92 -11.164 -2.780 -9.296 1.00 61.69 A N ATOM 689 C LYS A 92 -7.662 1.600 -6.660 1.00 46.14 A C ATOM 690 O LYS A 92 -6.635 1.384 -5.988 1.00 45.30 A O ATOM 691 N ASP A 93 -8.265 2.788 -6.692 1.00 42.94 A N ATOM 692 CA ASP A 93 -7.941 3.819 -5.681 1.00 40.64 A C ATOM 693 CB ASP A 93 -6.816 4.751 -6.115 1.00 39.38 A C ATOM 694 CG ASP A 93 -6.165 5.436 -4.928 1.00 41.95 A C ATOM 695 OD1 ASP A 93 -5.972 4.750 -3.880 1.00 40.33 A O ATOM 696 OD2 ASP A 93 -5.867 6.660 -5.015 1.00 41.67 A O ATOM 697 C ASP A 93 -9.166 4.649 -5.361 1.00 38.68 A C ATOM 698 O ASP A 93 -10.009 4.825 -6.234 1.00 37.27 A O ATOM 699 N SER A 94 -9.246 5.102 -4.103 1.00 36.79 A N ATOM 700 CA SER A 94 -10.304 5.953 -3.561 1.00 35.46 A C ATOM 701 CB SER A 94 -10.992 5.313 -2.350 1.00 35.16 A C ATOM 702 OG SER A 94 -11.785 4.236 -2.775 1.00 40.48 A O ATOM 703 C SER A 94 -9.714 7.237 -3.048 1.00 33.67 A C ATOM 704 O SER A 94 -8.638 7.237 -2.412 1.00 32.35 A O ATOM 705 N VAL A 95 -10.414 8.334 -3.286 1.00 31.93 A N ATOM 706 CA VAL A 95 -10.041 9.560 -2.584 1.00 32.07 A C ATOM 707 CB VAL A 95 -9.467 10.615 -3.519 1.00 32.04 A C ATOM 708 CG1 VAL A 95 -10.467 10.958 -4.655 1.00 31.80 A C ATOM 709 CG2 VAL A 95 -9.043 11.864 -2.721 1.00 33.32 A C ATOM 710 C VAL A 95 -11.231 10.126 -1.823 1.00 32.00 A C ATOM 711 O VAL A 95 -12.356 10.168 -2.360 1.00 32.31 A O ATOM 712 N THR A 96 -11.002 10.524 -0.575 1.00 30.72 A N ATOM 713 CA THR A 96 -12.019 11.195 0.170 1.00 30.14 A C ATOM 714 CB THR A 96 -12.267 10.460 1.460 1.00 31.16 A C ATOM 715 OG1 THR A 96 -12.731 9.148 1.145 1.00 28.96 A O ATOM 716 CG2 THR A 96 -13.289 11.216 2.392 1.00 28.89 A C ATOM 717 C THR A 96 -11.516 12.614 0.421 1.00 31.30 A C ATOM 718 O THR A 96 -10.364 12.807 0.837 1.00 32.79 A O ATOM 719 N PHE A 97 -12.362 13.605 0.167 1.00 31.39 A N ATOM 720 CA PHE A 97 -11.985 15.013 0.355 1.00 33.03 A C ATOM 721 CB PHE A 97 -11.668 15.696 -0.999 1.00 32.18 A C ATOM 722 CG PHE A 97 -12.835 15.803 -1.934 1.00 32.44 A C ATOM 723 CD1 PHE A 97 -13.718 16.907 -1.860 1.00 32.80 A C ATOM 724 CE1 PHE A 97 -14.797 17.061 -2.770 1.00 31.50 A C ATOM 725 CZ PHE A 97 -14.999 16.092 -3.771 1.00 31.19 A C ATOM 726 CE2 PHE A 97 -14.097 14.991 -3.854 1.00 31.44 A C ATOM 727 CD2 PHE A 97 -13.022 14.867 -2.937 1.00 30.97 A C ATOM 728 C PHE A 97 -13.046 15.744 1.164 1.00 34.75 A C ATOM 729 O PHE A 97 -14.185 15.215 1.302 1.00 34.43 A O ATOM 730 N ASP A 98 -12.655 16.891 1.754 1.00 37.40 A N ATOM 731 CA ASP A 98 -13.550 17.715 2.608 1.00 39.71 A C ATOM 732 CB ASP A 98 -12.772 18.742 3.482 1.00 40.07 A C ATOM 733 CG ASP A 98 -12.155 18.124 4.788 1.00 46.38 A C ATOM 734 OD1 ASP A 98 -12.406 16.923 5.137 1.00 48.94 A O ATOM 735 OD2 ASP A 98 -11.379 18.855 5.477 1.00 50.22 A O ATOM 736 C ASP A 98 -14.442 18.450 1.619 1.00 39.71 A C ATOM 737 O ASP A 98 -13.923 19.069 0.684 1.00 39.86 A O ATOM 738 N VAL A 99 -15.761 18.352 1.782 1.00 40.25 A N ATOM 739 CA VAL A 99 -16.713 19.104 0.927 1.00 42.00 A C ATOM 740 CB VAL A 99 -18.190 18.528 0.986 1.00 41.21 A C ATOM 741 CG1 VAL A 99 -19.158 19.420 0.281 1.00 42.81 A C ATOM 742 CG2 VAL A 99 -18.272 17.173 0.317 1.00 41.53 A C ATOM 743 C VAL A 99 -16.653 20.631 1.202 1.00 43.12 A C ATOM 744 O VAL A 99 -17.152 21.435 0.406 1.00 43.49 A O ATOM 745 N SER A 100 -16.013 21.025 2.310 1.00 44.85 A N ATOM 746 CA SER A 100 -15.770 22.460 2.616 1.00 46.33 A C ATOM 747 CB SER A 100 -15.249 22.660 4.047 1.00 45.83 A C ATOM 748 OG SER A 100 -13.934 22.137 4.224 1.00 48.29 A O ATOM 749 C SER A 100 -14.872 23.168 1.584 1.00 47.05 A C ATOM 750 O SER A 100 -14.936 24.380 1.452 1.00 47.99 A O ATOM 751 N LYS A 101 -14.086 22.408 0.819 1.00 47.99 A N ATOM 752 CA LYS A 101 -13.268 22.948 -0.279 1.00 48.84 A C ATOM 753 CB LYS A 101 -12.198 21.931 -0.683 1.00 48.72 A C ATOM 754 CG LYS A 101 -11.003 21.851 0.238 1.00 50.88 A C ATOM 755 CD LYS A 101 -10.653 20.401 0.494 1.00 53.71 A C ATOM 756 CE LYS A 101 -9.145 20.190 0.589 1.00 60.62 A C ATOM 757 NZ LYS A 101 -8.871 18.806 1.136 1.00 64.07 A N ATOM 758 C LYS A 101 -14.041 23.365 -1.536 1.00 49.08 A C ATOM 759 O LYS A 101 -13.487 24.061 -2.395 1.00 49.11 A O ATOM 760 N LEU A 102 -15.282 22.896 -1.669 1.00 49.61 A N ATOM 761 CA LEU A 102 -16.149 23.235 -2.797 1.00 50.68 A C ATOM 762 CB LEU A 102 -17.014 22.027 -3.166 1.00 49.42 A C ATOM 763 CG LEU A 102 -16.308 20.726 -3.568 1.00 48.63 A C ATOM 764 CD1 LEU A 102 -17.328 19.741 -4.112 1.00 46.12 A C ATOM 765 CD2 LEU A 102 -15.231 20.959 -4.619 1.00 42.75 A C ATOM 766 C LEU A 102 -17.061 24.438 -2.493 1.00 52.49 A C ATOM 767 O LEU A 102 -17.778 24.432 -1.484 1.00 52.75 A O ATOM 768 N LYS A 103 -17.051 25.469 -3.343 1.00 54.97 A N ATOM 769 CA LYS A 103 -18.057 26.562 -3.168 1.00 57.81 A C ATOM 770 CB LYS A 103 -17.526 28.017 -3.361 1.00 57.87 A C ATOM 771 CG LYS A 103 -16.027 28.247 -3.601 1.00 59.45 A C ATOM 772 CD LYS A 103 -15.669 28.597 -5.109 1.00 63.42 A C ATOM 773 CE LYS A 103 -16.498 29.776 -5.732 1.00 63.36 A C ATOM 774 NZ LYS A 103 -15.999 30.289 -7.064 1.00 60.69 A N ATOM 775 C LYS A 103 -19.279 26.346 -4.075 1.00 58.49 A C ATOM 776 O LYS A 103 -19.136 26.242 -5.290 1.00 57.75 A O ATOM 777 N GLU A 104 -20.473 26.274 -3.486 1.00 59.80 A N ATOM 778 CA GLU A 104 -21.672 26.222 -4.312 1.00 61.14 A C ATOM 779 CB GLU A 104 -22.934 26.282 -3.460 1.00 62.04 A C ATOM 780 CG GLU A 104 -24.192 25.810 -4.189 1.00 64.53 A C ATOM 781 CD GLU A 104 -25.436 25.962 -3.339 1.00 68.12 A C ATOM 782 OE1 GLU A 104 -25.581 27.047 -2.702 1.00 68.87 A O ATOM 783 OE2 GLU A 104 -26.261 24.998 -3.317 1.00 68.57 A O ATOM 784 C GLU A 104 -21.632 27.385 -5.303 1.00 61.13 A C ATOM 785 O GLU A 104 -21.202 28.495 -4.961 1.00 61.13 A O ATOM 786 N GLY A 105 -22.043 27.118 -6.541 1.00 61.16 A N ATOM 787 CA GLY A 105 -21.977 28.131 -7.586 1.00 61.18 A C ATOM 788 C GLY A 105 -20.709 28.133 -8.443 1.00 61.19 A C ATOM 789 O GLY A 105 -20.685 28.777 -9.496 1.00 61.71 A O ATOM 790 N GLU A 106 -19.651 27.442 -8.004 1.00 60.49 A N ATOM 791 CA GLU A 106 -18.450 27.249 -8.837 1.00 59.39 A C ATOM 792 CB GLU A 106 -17.179 27.166 -7.969 1.00 59.91 A C ATOM 793 CG GLU A 106 -15.837 26.875 -8.725 1.00 61.21 A C ATOM 794 CD GLU A 106 -15.301 28.056 -9.524 1.00 64.97 A C ATOM 795 OE1 GLU A 106 -14.884 29.053 -8.882 1.00 67.25 A O ATOM 796 OE2 GLU A 106 -15.276 27.984 -10.783 1.00 64.62 A O ATOM 797 C GLU A 106 -18.585 26.026 -9.766 1.00 58.25 A C ATOM 798 O GLU A 106 -19.287 25.058 -9.454 1.00 58.14 A O ATOM 799 N GLN A 107 -17.910 26.105 -10.912 1.00 56.95 A N ATOM 800 CA GLN A 107 -17.834 25.024 -11.877 1.00 55.92 A C ATOM 801 CB GLN A 107 -17.980 25.576 -13.304 1.00 56.92 A C ATOM 802 CG GLN A 107 -17.561 24.620 -14.442 1.00 59.84 A C ATOM 803 CD GLN A 107 -18.306 23.294 -14.458 1.00 63.27 A C ATOM 804 OE1 GLN A 107 -19.549 23.241 -14.494 1.00 66.25 A O ATOM 805 NE2 GLN A 107 -17.545 22.208 -14.448 1.00 64.73 A N ATOM 806 C GLN A 107 -16.517 24.240 -11.749 1.00 53.92 A C ATOM 807 O GLN A 107 -15.420 24.804 -11.890 1.00 53.88 A O ATOM 808 N TYR A 108 -16.639 22.938 -11.499 1.00 50.66 A N ATOM 809 CA TYR A 108 -15.469 22.128 -11.284 1.00 47.08 A C ATOM 810 CB TYR A 108 -15.540 21.455 -9.921 1.00 46.83 A C ATOM 811 CG TYR A 108 -15.567 22.437 -8.780 1.00 47.85 A C ATOM 812 CD1 TYR A 108 -14.401 23.025 -8.322 1.00 48.20 A C ATOM 813 CE1 TYR A 108 -14.416 23.952 -7.266 1.00 49.11 A C ATOM 814 CZ TYR A 108 -15.601 24.291 -6.668 1.00 49.57 A C ATOM 815 OH TYR A 108 -15.596 25.201 -5.633 1.00 50.13 A O ATOM 816 CE2 TYR A 108 -16.779 23.708 -7.097 1.00 48.90 A C ATOM 817 CD2 TYR A 108 -16.759 22.789 -8.157 1.00 47.90 A C ATOM 818 C TYR A 108 -15.364 21.124 -12.402 1.00 44.94 A C ATOM 819 O TYR A 108 -16.384 20.678 -12.937 1.00 44.07 A O ATOM 820 N MET A 109 -14.127 20.794 -12.764 1.00 42.44 A N ATOM 821 CA MET A 109 -13.854 19.748 -13.726 1.00 40.31 A C ATOM 822 CB MET A 109 -12.962 20.250 -14.881 1.00 40.62 A C ATOM 823 CG MET A 109 -13.632 21.076 -16.023 1.00 42.09 A C ATOM 824 SD MET A 109 -15.230 20.458 -16.574 1.00 42.29 A S ATOM 825 CE MET A 109 -14.718 19.219 -17.766 1.00 38.41 A C ATOM 826 C MET A 109 -13.118 18.607 -13.004 1.00 38.78 A C ATOM 827 O MET A 109 -12.232 18.874 -12.211 1.00 37.78 A O ATOM 828 N PHE A 110 -13.493 17.354 -13.288 1.00 36.59 A N ATOM 829 CA PHE A 110 -12.650 16.218 -12.947 1.00 34.17 A C ATOM 830 CB PHE A 110 -13.388 15.155 -12.149 1.00 33.91 A C ATOM 831 CG PHE A 110 -14.494 14.458 -12.898 1.00 34.09 A C ATOM 832 CD1 PHE A 110 -14.233 13.311 -13.635 1.00 28.97 A C ATOM 833 CE1 PHE A 110 -15.264 12.648 -14.283 1.00 32.36 A C ATOM 834 CZ PHE A 110 -16.595 13.134 -14.197 1.00 37.05 A C ATOM 835 CE2 PHE A 110 -16.872 14.253 -13.427 1.00 36.21 A C ATOM 836 CD2 PHE A 110 -15.818 14.915 -12.793 1.00 33.59 A C ATOM 837 C PHE A 110 -12.060 15.670 -14.216 1.00 34.05 A C ATOM 838 O PHE A 110 -12.657 15.805 -15.312 1.00 32.88 A O ATOM 839 N PHE A 111 -10.869 15.087 -14.108 1.00 32.02 A N ATOM 840 CA PHE A 111 -10.172 14.671 -15.327 1.00 31.42 A C ATOM 841 CB PHE A 111 -9.680 15.899 -16.095 1.00 30.87 A C ATOM 842 CG PHE A 111 -8.948 16.885 -15.238 1.00 31.25 A C ATOM 843 CD1 PHE A 111 -7.567 16.817 -15.102 1.00 29.05 A C ATOM 844 CE1 PHE A 111 -6.881 17.740 -14.311 1.00 29.12 A C ATOM 845 CZ PHE A 111 -7.546 18.696 -13.611 1.00 25.50 A C ATOM 846 CE2 PHE A 111 -8.920 18.796 -13.732 1.00 28.93 A C ATOM 847 CD2 PHE A 111 -9.625 17.881 -14.542 1.00 29.83 A C ATOM 848 C PHE A 111 -9.018 13.730 -14.975 1.00 31.24 A C ATOM 849 O PHE A 111 -8.621 13.618 -13.804 1.00 30.43 A O ATOM 850 N ASP A 112 -8.530 13.026 -15.987 1.00 30.74 A N ATOM 851 CA ASP A 112 -7.393 12.122 -15.866 1.00 31.36 A C ATOM 852 CB ASP A 112 -7.783 10.820 -16.578 1.00 31.39 A C ATOM 853 CG ASP A 112 -6.634 9.862 -16.811 1.00 31.77 A C ATOM 854 OD1 ASP A 112 -5.472 10.026 -16.389 1.00 34.82 A O ATOM 855 OD2 ASP A 112 -6.926 8.867 -17.460 1.00 34.85 A O ATOM 856 C ASP A 112 -6.196 12.830 -16.494 1.00 31.14 A C ATOM 857 O ASP A 112 -6.347 13.478 -17.528 1.00 31.58 A O ATOM 858 N THR A 113 -5.014 12.777 -15.865 1.00 31.15 A N ATOM 859 CA THR A 113 -3.879 13.580 -16.383 1.00 28.56 A C ATOM 860 CB THR A 113 -3.209 14.524 -15.328 1.00 28.66 A C ATOM 861 OG1 THR A 113 -2.546 13.764 -14.312 1.00 29.85 A O ATOM 862 CG2 THR A 113 -4.180 15.519 -14.688 1.00 28.57 A C ATOM 863 C THR A 113 -2.805 12.710 -17.001 1.00 27.96 A C ATOM 864 O THR A 113 -1.733 13.208 -17.305 1.00 27.47 A O ATOM 865 N PHE A 114 -3.078 11.421 -17.207 1.00 27.66 A N ATOM 866 CA PHE A 114 -2.103 10.596 -17.899 1.00 27.79 A C ATOM 867 CB PHE A 114 -2.546 9.131 -17.900 1.00 27.72 A C ATOM 868 CG PHE A 114 -1.541 8.191 -18.531 1.00 30.56 A C ATOM 869 CD1 PHE A 114 -0.570 7.544 -17.750 1.00 30.56 A C ATOM 870 CE1 PHE A 114 0.377 6.661 -18.341 1.00 29.65 A C ATOM 871 CZ PHE A 114 0.354 6.429 -19.741 1.00 32.12 A C ATOM 872 CE2 PHE A 114 -0.600 7.090 -20.533 1.00 31.62 A C ATOM 873 CD2 PHE A 114 -1.537 7.967 -19.925 1.00 32.16 A C ATOM 874 C PHE A 114 -2.023 11.190 -19.309 1.00 28.50 A C ATOM 875 O PHE A 114 -3.034 11.723 -19.788 1.00 29.12 A O ATOM 876 N PRO A 115 -0.837 11.173 -19.968 1.00 28.18 A N ATOM 877 CA PRO A 115 -0.792 11.946 -21.204 1.00 28.51 A C ATOM 878 CB PRO A 115 0.568 11.606 -21.769 1.00 28.43 A C ATOM 879 CG PRO A 115 1.422 11.607 -20.465 1.00 28.28 A C ATOM 880 CD PRO A 115 0.523 10.825 -19.519 1.00 28.10 A C ATOM 881 C PRO A 115 -1.882 11.676 -22.199 1.00 29.35 A C ATOM 882 O PRO A 115 -2.036 10.557 -22.631 1.00 29.83 A O ATOM 883 N GLY A 116 -2.641 12.719 -22.517 1.00 30.91 A N ATOM 884 CA GLY A 116 -3.648 12.678 -23.541 1.00 33.98 A C ATOM 885 C GLY A 116 -5.002 12.139 -23.111 1.00 35.68 A C ATOM 886 O GLY A 116 -5.935 12.129 -23.910 1.00 36.41 A O ATOM 887 N HIS A 117 -5.141 11.671 -21.875 1.00 35.70 A N ATOM 888 CA HIS A 117 -6.416 11.053 -21.512 1.00 36.43 A C ATOM 889 CB HIS A 117 -6.258 10.146 -20.309 1.00 36.24 A C ATOM 890 CG HIS A 117 -5.525 8.888 -20.624 1.00 34.07 A C ATOM 891 ND1 HIS A 117 -5.597 7.764 -19.839 1.00 33.01 A N ATOM 892 CE1 HIS A 117 -4.875 6.807 -20.378 1.00 34.28 A C ATOM 893 NE2 HIS A 117 -4.294 7.290 -21.457 1.00 38.45 A N ATOM 894 CD2 HIS A 117 -4.682 8.590 -21.630 1.00 33.68 A C ATOM 895 C HIS A 117 -7.520 12.060 -21.253 1.00 37.67 A C ATOM 896 O HIS A 117 -8.715 11.739 -21.403 1.00 38.99 A O ATOM 897 N SER A 118 -7.145 13.267 -20.854 1.00 38.44 A N ATOM 898 CA SER A 118 -8.158 14.229 -20.480 1.00 39.77 A C ATOM 899 CB SER A 118 -7.580 15.394 -19.701 1.00 38.67 A C ATOM 900 OG SER A 118 -6.942 16.273 -20.587 1.00 40.16 A O ATOM 901 C SER A 118 -8.998 14.728 -21.659 1.00 40.88 A C ATOM 902 O SER A 118 -10.011 15.372 -21.420 1.00 42.08 A O ATOM 903 N ALA A 119 -8.624 14.413 -22.904 1.00 42.17 A N ATOM 904 CA ALA A 119 -9.519 14.692 -24.055 1.00 43.34 A C ATOM 905 CB ALA A 119 -8.792 14.547 -25.371 1.00 43.17 A C ATOM 906 C ALA A 119 -10.821 13.863 -24.036 1.00 44.30 A C ATOM 907 O ALA A 119 -11.863 14.313 -24.516 1.00 45.58 A O ATOM 908 N LEU A 120 -10.787 12.678 -23.447 1.00 44.38 A N ATOM 909 CA LEU A 120 -12.002 11.869 -23.324 1.00 44.34 A C ATOM 910 CB LEU A 120 -11.751 10.513 -24.020 1.00 44.80 A C ATOM 911 CG LEU A 120 -12.901 9.529 -24.262 1.00 47.32 A C ATOM 912 CD1 LEU A 120 -13.851 10.072 -25.362 1.00 49.72 A C ATOM 913 CD2 LEU A 120 -12.382 8.145 -24.648 1.00 47.19 A C ATOM 914 C LEU A 120 -12.426 11.673 -21.829 1.00 44.33 A C ATOM 915 O LEU A 120 -13.621 11.497 -21.488 1.00 44.11 A O ATOM 916 N GLU A 121 -11.443 11.695 -20.935 1.00 43.33 A N ATOM 917 CA GLU A 121 -11.707 11.366 -19.537 1.00 42.76 A C ATOM 918 CB GLU A 121 -10.657 10.394 -19.056 1.00 43.28 A C ATOM 919 CG GLU A 121 -10.723 9.090 -19.835 1.00 45.75 A C ATOM 920 CD GLU A 121 -9.688 8.118 -19.370 1.00 51.08 A C ATOM 921 OE1 GLU A 121 -8.560 8.593 -19.053 1.00 51.32 A O ATOM 922 OE2 GLU A 121 -10.018 6.901 -19.287 1.00 51.83 A O ATOM 923 C GLU A 121 -11.740 12.612 -18.711 1.00 41.23 A C ATOM 924 O GLU A 121 -10.726 13.027 -18.144 1.00 40.79 A O ATOM 925 N LYS A 122 -12.921 13.224 -18.703 1.00 39.53 A N ATOM 926 CA LYS A 122 -13.126 14.582 -18.236 1.00 38.77 A C ATOM 927 CB LYS A 122 -12.762 15.612 -19.300 1.00 39.49 A C ATOM 928 CG LYS A 122 -13.217 15.190 -20.706 1.00 42.42 A C ATOM 929 CD LYS A 122 -13.290 16.377 -21.677 1.00 49.94 A C ATOM 930 CE LYS A 122 -13.851 15.954 -23.045 1.00 51.61 A C ATOM 931 NZ LYS A 122 -15.064 15.057 -22.961 1.00 51.69 A N ATOM 932 C LYS A 122 -14.599 14.646 -17.938 1.00 37.71 A C ATOM 933 O LYS A 122 -15.364 13.877 -18.477 1.00 38.42 A O ATOM 934 N GLY A 123 -14.991 15.540 -17.062 1.00 35.79 A N ATOM 935 CA GLY A 123 -16.349 15.599 -16.641 1.00 35.91 A C ATOM 936 C GLY A 123 -16.568 16.729 -15.682 1.00 35.29 A C ATOM 937 O GLY A 123 -15.638 17.345 -15.197 1.00 34.39 A O ATOM 938 N THR A 124 -17.826 16.999 -15.418 1.00 35.53 A N ATOM 939 CA THR A 124 -18.193 18.116 -14.581 1.00 35.57 A C ATOM 940 CB THR A 124 -19.446 18.835 -15.179 1.00 35.92 A C ATOM 941 OG1 THR A 124 -19.436 20.223 -14.798 1.00 41.97 A O ATOM 942 CG2 THR A 124 -20.753 18.213 -14.700 1.00 33.95 A C ATOM 943 C THR A 124 -18.494 17.585 -13.189 1.00 34.83 A C ATOM 944 O THR A 124 -19.123 16.517 -13.032 1.00 34.60 A O ATOM 945 N LEU A 125 -18.056 18.321 -12.178 1.00 34.67 A N ATOM 946 CA LEU A 125 -18.538 18.089 -10.831 1.00 34.43 A C ATOM 947 CB LEU A 125 -17.414 17.547 -9.921 1.00 34.03 A C ATOM 948 CG LEU A 125 -17.710 17.290 -8.426 1.00 31.81 A C ATOM 949 CD1 LEU A 125 -16.805 16.216 -7.809 1.00 31.21 A C ATOM 950 CD2 LEU A 125 -17.547 18.577 -7.605 1.00 28.44 A C ATOM 951 C LEU A 125 -19.150 19.392 -10.300 1.00 35.33 A C ATOM 952 O LEU A 125 -18.557 20.444 -10.421 1.00 34.21 A O ATOM 953 N THR A 126 -20.344 19.304 -9.712 1.00 37.59 A N ATOM 954 CA THR A 126 -21.000 20.487 -9.140 1.00 40.11 A C ATOM 955 CB THR A 126 -22.210 20.930 -10.004 1.00 40.82 A C ATOM 956 OG1 THR A 126 -21.925 20.662 -11.393 1.00 43.51 A O ATOM 957 CG2 THR A 126 -22.486 22.448 -9.836 1.00 43.47 A C ATOM 958 C THR A 126 -21.455 20.206 -7.726 1.00 40.18 A C ATOM 959 O THR A 126 -21.847 19.103 -7.423 1.00 39.64 A O ATOM 960 N LEU A 127 -21.388 21.210 -6.857 1.00 42.48 A N ATOM 961 CA LEU A 127 -21.953 21.100 -5.504 1.00 44.83 A C ATOM 962 CB LEU A 127 -21.089 21.893 -4.506 1.00 44.62 A C ATOM 963 CG LEU A 127 -21.559 22.012 -3.040 1.00 45.52 A C ATOM 964 CD1 LEU A 127 -21.570 20.644 -2.359 1.00 46.14 A C ATOM 965 CD2 LEU A 127 -20.733 23.003 -2.206 1.00 44.72 A C ATOM 966 C LEU A 127 -23.410 21.592 -5.492 1.00 46.60 A C ATOM 967 O LEU A 127 -23.678 22.698 -5.985 1.00 48.81 A O ATOM 968 N LYS A 128 -24.341 20.788 -4.960 1.00 47.99 A N ATOM 969 CA LYS A 128 -25.790 21.116 -4.959 1.00 49.04 A C ATOM 970 CB LYS A 128 -26.544 20.380 -6.083 1.00 49.68 A C ATOM 971 CG LYS A 128 -26.665 21.117 -7.429 1.00 52.05 A C ATOM 972 CD LYS A 128 -25.890 20.384 -8.522 1.00 55.08 A C ATOM 973 CE LYS A 128 -26.722 20.294 -9.805 1.00 56.65 A C ATOM 974 NZ LYS A 128 -26.400 19.070 -10.605 1.00 56.72 A N ATOM 975 C LYS A 128 -26.479 20.782 -3.642 1.00 48.99 A C ATOM 976 O LYS A 128 -26.687 19.606 -3.336 1.00 48.91 A O TER 977 LYS A 128 ATOM 978 O HOH B 1 -23.876 13.480 -3.254 1.00 37.76 O ATOM 979 O HOH B 2 8.124 18.593 -11.525 1.00 46.18 O ATOM 980 O HOH B 3 -2.389 11.072 -9.589 1.00 27.63 O ATOM 981 O HOH B 4 -3.111 20.625 -3.807 1.00 37.08 O ATOM 982 O HOH B 6 -6.451 14.345 -2.716 1.00 26.03 O ATOM 983 O HOH B 10 -30.326 16.220 -0.188 1.00 39.28 O ATOM 984 O HOH B 11 -32.125 12.811 0.780 1.00 41.41 O ATOM 985 O HOH B 12 -29.170 9.238 2.915 1.00 61.61 O ATOM 986 O HOH B 14 -15.001 16.012 6.326 1.00 46.72 O ATOM 987 O HOH B 15 -6.930 30.695 -14.451 1.00 51.77 O ATOM 988 O HOH B 16 9.746 14.641 -13.205 1.00 40.31 O ATOM 989 O HOH B 17 6.521 23.103 0.614 1.00 37.84 O ATOM 990 O HOH B 19 -14.005 27.469 -0.978 0.50 28.89 O ATOM 991 O HOH B 20 -2.976 8.501 -24.942 1.00 43.57 O ATOM 992 O HOH B 21 -8.515 -1.767 -11.515 1.00 68.86 O ATOM 993 O HOH B 22 -5.220 1.141 -1.833 1.00 54.22 O ATOM 994 O HOH B 23 -11.414 6.959 0.474 1.00 42.29 O ATOM 995 O HOH B 24 -8.431 10.234 0.628 1.00 38.25 O ATOM 996 O HOH B 25 -6.029 8.486 -2.857 1.00 34.70 O ATOM 997 O HOH B 26 -0.810 10.884 -7.158 1.00 33.23 O ATOM 998 O HOH B 27 -0.154 19.177 -12.199 1.00 37.13 O ATOM 999 O HOH B 28 -5.333 21.521 -21.373 1.00 51.36 O ATOM 1000 O HOH B 29 -1.857 15.131 -21.441 1.00 35.70 O ATOM 1001 O HOH B 30 -18.337 -3.059 -13.464 1.00 46.74 O ATOM 1002 O HOH B 31 -22.356 7.499 1.443 1.00 45.33 O ATOM 1003 O HOH B 32 -23.590 9.936 -5.858 1.00 49.86 O ATOM 1004 O HOH B 33 -22.465 11.257 -18.208 1.00 53.50 O ATOM 1005 O HOH B 34 -13.561 26.504 -5.488 1.00 47.52 O ATOM 1006 O HOH B 35 -22.150 18.248 -12.157 1.00 40.49 O ATOM 1007 O HOH B 36 -29.891 10.698 -7.162 1.00 51.01 O ATOM 1008 O HOH B 37 -11.797 14.219 4.332 1.00 50.07 O ATOM 1009 O HOH B 38 -9.189 16.834 3.096 1.00 44.50 O ATOM 1010 O HOH B 39 0.876 13.728 -5.993 1.00 35.78 O ATOM 1011 O HOH B 40 3.978 14.152 -5.245 1.00 41.12 O ATOM 1012 O HOH B 41 8.143 20.503 -2.339 1.00 32.98 O ATOM 1013 O HOH B 42 2.074 26.725 -4.184 1.00 40.37 O ATOM 1014 O HOH B 43 4.509 6.650 -18.355 1.00 46.22 O ATOM 1015 O HOH B 44 5.366 12.978 -20.235 1.00 55.03 O ATOM 1016 O HOH B 45 7.293 9.551 -17.757 1.00 43.33 O ATOM 1017 O HOH B 46 1.576 5.700 -7.055 1.00 56.72 O ATOM 1018 O HOH B 47 -8.343 7.135 0.385 1.00 48.39 O ATOM 1019 O HOH B 48 -11.899 30.558 -4.183 1.00 42.49 O ATOM 1020 O HOH B 49 -1.991 24.483 -0.906 1.00 48.68 O ATOM 1021 O HOH B 50 -5.317 27.376 -2.508 1.00 46.40 O ATOM 1022 O HOH B 51 -11.556 -1.079 -24.408 1.00 68.89 O ATOM 1023 O HOH B 52 -4.442 13.629 -19.720 1.00 38.45 O ATOM 1024 O HOH B 53 -14.814 7.443 4.924 1.00 45.48 O ATOM 1025 O HOH B 54 3.154 27.517 0.022 0.50 43.40 O ATOM 1026 O HOH B 55 -25.182 12.897 4.853 1.00 40.32 O ATOM 1027 O HOH B 56 -8.217 18.766 -21.914 1.00 39.08 O ATOM 1028 CU CU C 1 -6.829 7.379 -18.323 1.00 46.35 CU ATOM 1029 CU CU C 2 -26.456 11.847 3.235 1.00 43.51 CU ATOM 1030 O HOH D 1 -20.217 4.469 -4.461 1.00 40.67 O ATOM 1031 O HOH D 2 -21.596 5.386 -8.451 1.00 41.34 O ATOM 1032 O HOH D 3 -12.348 -1.545 -21.867 1.00 47.29 O ATOM 1033 O HOH D 4 -15.832 -1.084 -22.416 1.00 48.33 O ATOM 1034 O HOH D 5 -14.486 2.065 -18.087 1.00 51.25 O ATOM 1035 O HOH D 6 -16.865 19.854 4.934 1.00 44.82 O ATOM 1036 O HOH D 8 0.464 -1.221 -12.928 1.00 50.65 O ATOM 1037 O HOH D 12 -18.632 28.190 -14.266 1.00 53.26 O ATOM 1038 O HOH D 13 -5.663 15.148 -24.564 1.00 37.48 O ATOM 1039 O HOH D 14 -25.212 13.959 2.372 1.00 34.50 O ATOM 1040 O3 TRS E 1 -23.785 9.206 6.887 1.00 32.10 O ATOM 1041 C3 TRS E 1 -23.721 10.380 6.107 1.00 30.11 C ATOM 1042 C TRS E 1 -24.718 10.159 4.964 1.00 30.67 C ATOM 1043 N TRS E 1 -24.857 11.418 4.254 1.00 28.69 N ATOM 1044 C2 TRS E 1 -26.068 9.804 5.546 1.00 29.17 C ATOM 1045 O2 TRS E 1 -27.079 9.732 4.553 1.00 30.97 O ATOM 1046 C1 TRS E 1 -24.255 9.084 3.983 1.00 30.97 C ATOM 1047 O1 TRS E 1 -23.006 9.487 3.457 1.00 33.94 O END