CRYST1 40.824 18.498 22.371 90.00 90.47 90.00 SCALE1 0.024495 0.000000 0.000201 0.000000 SCALE2 0.000000 0.054060 0.000000 0.000000 SCALE3 0.000000 0.000000 0.044702 0.000000 ATOM 1 C THR 1 15.633 12.786 5.018 1.00 3.34 ANISO 0.033838 0.044660 0.049899 -0.004382 0.013584 -0.004128 ATOM 2 O THR 1 15.149 13.771 5.505 1.00 5.74 ANISO 0.047914 0.047137 0.125771 -0.020759 0.029779 -0.004586 ATOM 3 CA THR 1 16.915 12.841 4.200 0.82 3.30 ANISO 0.029862 0.048845 0.048326 0.004290 0.011020 -0.007517 ATOM 4 HA THR 1 16.996 11.948 3.558 0.82 2.48 ATOM 5 N THR 1 16.890 14.089 3.439 0.82 4.54 ANISO 0.042869 0.057646 0.074267 0.018737 0.015241 -0.002317 ATOM 6 H0A THR 1 17.706 14.144 2.836 0.82 3.32 ATOM 7 H0B THR 1 16.888 14.888 4.058 0.82 3.32 ATOM 8 H0C THR 1 16.058 14.129 2.854 0.82 3.32 ATOM 9 CB THR 1 18.082 12.884 5.188 0.82 4.10 ANISO 0.025273 0.068432 0.064120 0.000630 0.006860 -0.011545 ATOM 10 HB THR 1 17.975 13.764 5.841 0.82 1.85 ATOM 11 OG1 THR 1 19.257 13.000 4.408 0.82 5.60 ANISO 0.029925 0.103401 0.081985 0.018211 0.015294 -0.010657 ATOM 12 HG1 THR 1 19.191 13.787 3.852 0.82 2.25 ATOM 13 CG2 THR 1 18.160 11.593 6.053 0.82 5.10 ANISO 0.036452 0.088158 0.071465 0.015618 -0.003210 -0.001442 ATOM 14 HG2ATHR 1 19.022 11.660 6.734 0.82 2.83 ATOM 15 HG2BTHR 1 18.257 10.719 5.412 0.82 2.83 ATOM 16 HG2CTHR 1 17.235 11.507 6.660 0.82 2.83 ATOM 17 CA THR 1 17.024 12.860 4.379 0.18 5.64 ATOM 18 HA THR 1 16.932 12.510 3.323 0.18 5.97 ATOM 19 N THR 1 17.606 14.132 4.360 0.18 5.07 ATOM 20 H0A THR 1 18.632 14.043 3.840 0.18 4.80 ATOM 21 H0B THR 1 17.792 14.588 5.149 0.18 4.80 ATOM 22 H0C THR 1 17.165 14.765 3.635 0.18 4.80 ATOM 23 CB THR 1 18.128 11.943 4.975 0.18 6.52 ATOM 24 HB THR 1 19.087 12.100 4.547 0.18 7.18 ATOM 25 OG1 THR 1 17.792 10.480 4.979 0.18 6.05 ATOM 26 HG1 THR 1 17.772 10.199 4.033 0.18 3.99 ATOM 27 CG2 THR 1 18.112 12.133 6.528 0.18 4.26 ATOM 28 HG2ATHR 1 18.950 11.461 6.925 0.18 2.76 ATOM 29 HG2BTHR 1 17.196 11.839 6.954 0.18 2.76 ATOM 30 HG2CTHR 1 18.393 13.157 6.735 0.18 2.76 ATOM 31 N THR 2 15.067 11.591 5.120 1.00 2.84 ANISO 0.032923 0.046014 0.030217 -0.004201 0.013104 -0.005852 ATOM 32 H0 THR 2 15.473 10.765 4.706 1.00 7.80 ATOM 33 CA THR 2 13.859 11.507 5.928 0.67 2.45 ANISO 0.026759 0.037490 0.030170 0.001117 0.008302 -0.003388 ATOM 34 HA THR 2 13.512 12.545 6.151 0.67 2.03 ATOM 35 CB THR 2 12.778 10.748 5.137 0.67 4.19 ANISO 0.038206 0.079726 0.043124 0.022439 -0.007914 -0.029627 ATOM 36 HB THR 2 11.923 10.600 5.816 0.67 3.16 ATOM 37 OG1 THR 2 13.274 9.468 4.774 0.67 5.23 ANISO 0.116224 0.059512 0.025503 0.004720 -0.008287 -0.054749 ATOM 38 HG1 THR 2 14.195 9.339 5.120 0.67 8.58 ATOM 39 CG2 THR 2 12.329 11.538 3.966 0.67 5.78 ANISO 0.065635 0.108530 0.048192 0.031777 -0.020783 -0.030566 ATOM 40 HG2ATHR 2 11.566 11.035 3.389 0.67 5.10 ATOM 41 HG2BTHR 2 13.149 11.881 3.351 0.67 5.10 ATOM 42 HG2CTHR 2 11.816 12.516 4.372 0.67 5.10 ATOM 43 CA THR 2 13.829 11.232 5.820 0.33 2.70 ANISO 0.027795 0.050154 0.026021 -0.004385 0.005012 -0.010659 ATOM 44 HA THR 2 13.237 12.103 5.949 0.33 2.16 ATOM 45 CB THR 2 12.974 10.183 5.085 0.33 5.75 ANISO 0.037819 0.126716 0.056622 -0.034983 -0.000032 -0.038127 ATOM 46 HB THR 2 13.522 9.234 4.930 0.33 2.66 ATOM 47 OG1 THR 2 12.689 10.810 3.791 0.33 8.19 ANISO 0.080153 0.202471 0.032198 -0.041790 0.015705 -0.066022 ATOM 48 HG1 THR 2 13.535 11.026 3.358 0.33 6.74 ATOM 49 CG2 THR 2 11.655 9.875 5.880 0.33 10.14 ANISO 0.072945 0.217445 0.099454 0.056036 -0.001482 -0.091996 ATOM 50 HG2ATHR 2 11.081 9.134 5.318 0.33 6.53 ATOM 51 HG2BTHR 2 11.076 10.831 5.904 0.33 6.53 ATOM 52 HG2CTHR 2 11.900 9.554 6.859 0.33 6.53 ATOM 53 C THR 2 14.171 10.764 7.228 1.00 2.51 ANISO 0.025346 0.043990 0.027093 -0.000778 0.008579 -0.002174 ATOM 54 O THR 2 15.007 9.855 7.313 1.00 3.08 ANISO 0.032558 0.053883 0.032140 -0.002339 0.010968 0.006777 ATOM 55 N CYS 3 13.438 11.190 8.265 1.00 2.25 ANISO 0.025598 0.033182 0.027798 0.001652 0.009919 -0.003358 ATOM 56 H0 CYS 3 12.749 11.910 8.104 1.00 2.58 ATOM 57 CA CYS 3 13.608 10.677 9.598 1.00 2.05 ANISO 0.023005 0.029221 0.026569 0.000443 0.008393 -0.007041 ATOM 58 HA CYS 3 14.189 9.746 9.579 1.00 2.29 ATOM 59 CB CYS 3 14.301 11.704 10.522 1.00 2.35 ANISO 0.027550 0.030377 0.032637 -0.000106 0.005001 -0.007895 ATOM 60 HB1 CYS 3 14.503 11.225 11.496 1.00 2.21 ATOM 61 HB2 CYS 3 13.606 12.537 10.710 1.00 2.21 ATOM 62 SG CYS 3 15.847 12.373 9.880 1.00 3.27 ANISO 0.033583 0.047779 0.044560 0.012079 0.001036 -0.020968 ATOM 63 C CYS 3 12.212 10.413 10.164 1.00 1.93 ANISO 0.021826 0.022716 0.029802 -0.000294 0.009486 -0.004218 ATOM 64 O CYS 3 11.324 11.245 9.994 1.00 2.75 ANISO 0.028463 0.024457 0.052750 0.010672 0.016965 0.000319 ATOM 65 N CYS 4 12.013 9.278 10.848 1.00 1.70 ANISO 0.018845 0.024026 0.022628 -0.000297 0.006398 -0.003778 ATOM 66 H0 CYS 4 12.788 8.656 11.033 1.00 2.06 ATOM 67 CA CYS 4 10.681 8.943 11.327 1.00 1.60 ANISO 0.017337 0.020931 0.023146 -0.000281 0.005069 -0.003702 ATOM 68 HA CYS 4 10.010 9.781 11.084 1.00 2.09 ATOM 69 CB CYS 4 10.156 7.684 10.621 1.00 1.78 ANISO 0.023847 0.021688 0.022964 -0.000992 0.003687 -0.004696 ATOM 70 HB1 CYS 4 9.230 7.359 11.104 1.00 1.88 ATOM 71 HB2 CYS 4 10.897 6.878 10.729 1.00 1.88 ATOM 72 SG CYS 4 9.833 7.934 8.844 1.00 2.02 ANISO 0.031061 0.024059 0.022634 -0.005287 0.004072 -0.002722 ATOM 73 C CYS 4 10.682 8.746 12.838 1.00 1.62 ANISO 0.016825 0.022431 0.022928 -0.000730 0.004896 -0.002843 ATOM 74 O CYS 4 11.652 8.275 13.418 1.00 2.07 ANISO 0.019122 0.034003 0.026577 0.000404 0.002647 0.001408 ATOM 75 N PRO 5 9.546 9.093 13.474 1.00 1.64 ANISO 0.017532 0.022932 0.022483 -0.000958 0.005102 -0.002478 ATOM 76 CA PRO 5 9.502 9.077 14.940 1.00 1.83 ANISO 0.021311 0.027266 0.021748 -0.004723 0.004779 -0.007281 ATOM 77 HA PRO 5 10.403 9.569 15.336 1.00 2.27 ATOM 78 CB PRO 5 8.269 9.939 15.267 1.00 2.26 ANISO 0.030109 0.031676 0.025240 -0.006242 0.011021 -0.002681 ATOM 79 HB1 PRO 5 7.774 9.596 16.184 1.00 2.29 ATOM 80 HB2 PRO 5 8.546 10.999 15.385 1.00 2.29 ATOM 81 CG PRO 5 7.366 9.743 14.044 1.00 2.27 ANISO 0.020164 0.034168 0.032920 -0.002033 0.009389 0.001077 ATOM 82 HG1 PRO 5 6.830 8.786 14.097 1.00 1.63 ATOM 83 HG2 PRO 5 6.641 10.560 13.945 1.00 1.63 ATOM 84 CD PRO 5 8.361 9.747 12.898 1.00 1.82 ANISO 0.018823 0.025059 0.026202 -0.000636 0.005435 0.000072 ATOM 85 HD1 PRO 5 7.974 9.187 12.035 1.00 1.52 ATOM 86 HD2 PRO 5 8.590 10.777 12.580 1.00 1.52 ATOM 87 C PRO 5 9.375 7.686 15.545 1.00 1.99 ANISO 0.026370 0.030239 0.020071 -0.000500 0.003257 -0.005593 ATOM 88 O PRO 5 9.639 7.544 16.750 1.00 3.12 ANISO 0.054465 0.044978 0.020424 0.001153 -0.002559 -0.013354 ATOM 89 N SER 6 8.926 6.704 14.757 1.00 1.85 ANISO 0.023777 0.027410 0.019892 0.001427 0.001721 -0.004722 ATOM 90 H0 SER 6 8.703 6.917 13.795 1.00 2.18 ATOM 91 CA SER 6 8.754 5.347 15.233 1.00 1.71 ANISO 0.021013 0.025711 0.018985 0.001648 0.002858 0.001487 ATOM 92 HA SER 6 9.565 5.100 15.930 1.00 2.08 ATOM 93 CB SER 6 7.407 5.161 15.932 1.00 1.75 ANISO 0.024533 0.021579 0.021221 0.001617 0.006378 0.000245 ATOM 94 HB1 SER 6 7.371 4.173 16.412 1.00 2.02 ATOM 95 HB2 SER 6 7.275 5.929 16.703 1.00 2.02 ATOM 96 OG SER 6 6.371 5.264 14.954 1.00 2.13 ANISO 0.020532 0.032459 0.028811 0.006359 0.005185 0.000487 ATOM 97 HG SER 6 5.559 4.871 15.297 1.00 1.59 ATOM 98 C SER 6 8.831 4.428 14.009 1.00 1.82 ANISO 0.021397 0.027819 0.020681 0.000016 0.003921 0.004186 ATOM 99 O SER 6 8.758 4.866 12.861 1.00 2.14 ANISO 0.029290 0.032975 0.020132 0.001541 0.004972 0.002147 ATOM 100 N ILE 7 8.934 3.134 14.307 1.00 2.20 ANISO 0.035715 0.028133 0.020592 -0.001258 0.004202 0.010561 ATOM 101 H0 ILE 7 9.087 2.881 15.273 1.00 3.13 ATOM 102 CA ILE 7 8.831 2.024 13.302 0.55 2.54 ANISO 0.051750 0.023897 0.022176 0.000177 0.016504 0.006662 ATOM 103 HA ILE 7 9.702 2.115 12.622 0.55 4.74 ATOM 104 CB ILE 7 8.937 0.628 13.936 0.55 3.24 ANISO 0.059558 0.020924 0.044254 0.000196 0.018336 0.010796 ATOM 105 HB ILE 7 8.200 0.594 14.749 0.55 4.39 ATOM 106 CG2 ILE 7 8.518 -0.457 12.924 0.55 4.38 ANISO 0.088711 0.022944 0.056686 -0.007800 0.017238 0.009113 ATOM 107 HG2AILE 7 7.522 -0.209 12.511 0.55 7.35 ATOM 108 HG2BILE 7 8.466 -1.428 13.430 0.55 7.35 ATOM 109 HG2CILE 7 9.247 -0.499 12.109 0.55 7.35 ATOM 110 CD1 ILE 7 11.410 0.263 13.435 0.55 7.31 ANISO 0.057671 0.064391 0.159164 -0.038172 0.030590 0.014052 ATOM 111 HD1AILE 7 12.389 0.085 13.973 0.55 4.82 ATOM 112 HD1BILE 7 11.468 1.182 12.892 0.55 4.82 ATOM 113 HD1CILE 7 11.202 -0.591 12.809 0.55 4.82 ATOM 114 CG1 ILE 7 10.309 0.368 14.561 0.55 5.73 ANISO 0.051765 0.040508 0.128056 0.003976 0.014427 0.025479 ATOM 115 HG1AILE 7 10.564 1.191 15.221 0.55 4.28 ATOM 116 HG1BILE 7 10.288 -0.560 15.124 0.55 4.28 ATOM 117 C ILE 7 7.561 2.153 12.456 0.55 2.41 ANISO 0.058286 0.022588 0.011936 0.001016 0.014515 0.009333 ATOM 118 O ILE 7 7.577 2.134 11.210 0.55 2.81 ANISO 0.060828 0.033412 0.013745 0.002295 0.012062 0.013327 ATOM 119 CA ILE 7 9.103 2.229 13.192 0.45 1.97 ANISO 0.033948 0.018347 0.023343 0.001617 0.014098 0.003543 ATOM 120 HA ILE 7 9.901 2.609 12.560 0.45 2.95 ATOM 121 CB ILE 7 9.492 0.887 13.815 0.45 2.61 ANISO 0.048900 0.013005 0.038417 -0.001924 0.010988 0.005284 ATOM 122 HB ILE 7 8.819 0.657 14.661 0.45 3.85 ATOM 123 CG2 ILE 7 9.395 -0.219 12.799 0.45 4.38 ANISO 0.088397 0.033041 0.046857 -0.018392 -0.002658 0.017849 ATOM 124 HG2AILE 7 9.662 -1.180 13.271 0.45 6.82 ATOM 125 HG2BILE 7 10.077 -0.016 11.970 0.45 6.82 ATOM 126 HG2CILE 7 8.361 -0.277 12.427 0.45 6.82 ATOM 127 CG1 ILE 7 10.947 0.967 14.361 0.45 3.35 ANISO 0.045438 0.036611 0.046765 0.012589 0.011738 0.020618 ATOM 128 HG1AILE 7 11.625 1.160 13.525 0.45 3.29 ATOM 129 HG1BILE 7 11.017 1.804 15.065 0.45 3.29 ATOM 130 CD1 ILE 7 11.359 -0.318 15.074 0.45 5.10 ANISO 0.090553 0.057140 0.048480 0.025001 0.019730 0.045239 ATOM 131 HD1AILE 7 12.439 -0.245 15.321 0.45 6.42 ATOM 132 HD1BILE 7 11.208 -1.171 14.400 0.45 6.42 ATOM 133 HD1CILE 7 10.783 -0.441 15.984 0.45 6.42 ATOM 134 C ILE 7 7.833 2.126 12.359 0.45 2.10 ANISO 0.037327 0.023564 0.019928 -0.009347 0.014804 -0.005790 ATOM 135 O ILE 7 7.985 2.104 11.152 0.45 2.42 ANISO 0.036394 0.037265 0.019481 -0.010957 0.013724 -0.009993 ATOM 136 N VAL 8 6.372 2.228 13.072 0.51 1.72 ANISO 0.038412 0.013444 0.014169 0.001269 -0.001927 -0.006753 ATOM 137 H0 VAL 8 6.350 2.217 14.097 0.51 2.83 ATOM 138 CA VAL 8 5.075 2.265 12.403 0.51 2.32 ANISO 0.038516 0.026234 0.024555 0.002210 -0.004922 -0.010250 ATOM 139 HA VAL 8 4.969 1.382 11.799 0.51 2.76 ATOM 140 CB VAL 8 3.904 2.412 13.377 0.51 3.44 ANISO 0.037051 0.064746 0.030505 0.023933 0.000007 -0.026365 ATOM 141 HB VAL 8 4.212 3.076 14.171 0.51 3.53 ATOM 142 CG1 VAL 8 2.633 2.988 12.715 0.51 4.15 ANISO 0.036168 0.084197 0.039175 0.016001 0.002685 -0.015117 ATOM 143 HG1AVAL 8 2.845 3.967 12.287 0.51 2.92 ATOM 144 HG1BVAL 8 1.847 3.073 13.481 0.51 2.92 ATOM 145 HG1CVAL 8 2.282 2.303 11.919 0.51 2.92 ATOM 146 CG2 VAL 8 3.617 1.041 13.960 0.51 4.96 ANISO 0.083290 0.065477 0.041823 0.022997 -0.002098 -0.039977 ATOM 147 HG2AVAL 8 4.511 0.666 14.459 0.51 6.01 ATOM 148 HG2BVAL 8 3.306 0.357 13.166 0.51 6.01 ATOM 149 HG2CVAL 8 2.799 1.153 14.692 0.51 6.01 ATOM 150 N VAL 8 6.691 2.073 13.025 0.39 1.90 ATOM 151 H0 VAL 8 6.634 2.090 14.029 0.39 2.10 ATOM 152 CA VAL 8 5.473 2.053 12.133 0.39 1.84 ATOM 153 HA VAL 8 5.658 1.171 11.427 0.39 2.08 ATOM 154 CB VAL 8 4.204 1.654 12.967 0.39 2.90 ATOM 155 HB VAL 8 4.418 0.937 13.713 0.39 3.38 ATOM 156 CG1 VAL 8 3.566 2.921 13.650 0.39 4.26 ATOM 157 HG1AVAL 8 2.673 2.618 14.177 0.39 4.51 ATOM 158 HG1BVAL 8 3.369 3.689 12.916 0.39 4.51 ATOM 159 HG1CVAL 8 4.323 3.292 14.383 0.39 4.51 ATOM 160 CG2 VAL 8 3.133 1.073 12.045 0.39 3.81 ATOM 161 HG2AVAL 8 2.268 0.749 12.633 0.39 3.36 ATOM 162 HG2BVAL 8 3.554 0.205 11.505 0.39 3.36 ATOM 163 HG2CVAL 8 2.801 1.820 11.295 0.39 3.36 ATOM 164 N VAL 8 6.627 2.369 13.111 0.10 2.03 ATOM 165 CA VAL 8 5.441 2.174 12.300 0.10 1.15 ATOM 166 CB VAL 8 4.275 1.806 13.117 0.10 2.28 ATOM 167 CG1 VAL 8 2.932 2.152 12.498 0.10 1.48 ATOM 168 CG2 VAL 8 4.351 0.188 13.435 0.10 5.02 ATOM 169 C VAL 8 5.218 3.367 11.374 1.00 2.62 ANISO 0.036692 0.041909 0.022034 0.006462 -0.003960 -0.021657 ATOM 170 O VAL 8 4.712 3.305 10.237 1.00 2.64 ANISO 0.037706 0.042128 0.021524 0.003810 -0.003610 -0.016959 ATOM 171 N ALA 9 5.669 4.542 11.849 1.00 2.16 ANISO 0.029539 0.037753 0.015922 0.002901 -0.000333 -0.011078 ATOM 172 H0 ALA 9 6.023 4.619 12.792 1.00 2.64 ATOM 173 CA ALA 9 5.635 5.733 10.995 1.00 1.87 ANISO 0.021600 0.030604 0.019802 -0.000270 0.001113 -0.000816 ATOM 174 HA ALA 9 4.599 5.896 10.670 1.00 2.41 ATOM 175 CB ALA 9 6.087 6.967 11.770 1.00 2.25 ANISO 0.029893 0.028809 0.027754 -0.004931 0.001151 0.001569 ATOM 176 HB1 ALA 9 5.446 7.094 12.658 1.00 2.42 ATOM 177 HB2 ALA 9 5.997 7.859 11.131 1.00 2.42 ATOM 178 HB3 ALA 9 7.129 6.846 12.088 1.00 2.42 ATOM 179 C ALA 9 6.495 5.510 9.742 1.00 1.61 ANISO 0.022944 0.022094 0.017073 -0.000474 0.001061 -0.001502 ATOM 180 O ALA 9 6.086 5.890 8.641 1.00 1.97 ANISO 0.028422 0.027008 0.020378 0.002053 -0.001175 0.002976 ATOM 181 N ARG 10 7.684 4.899 9.902 1.00 1.56 ANISO 0.022758 0.021663 0.015662 -0.000615 -0.000882 -0.002290 ATOM 182 H0 ARG 10 8.014 4.675 10.829 1.00 1.96 ATOM 183 CA ARG 10 8.506 4.575 8.736 1.00 1.56 ANISO 0.020804 0.019791 0.019375 -0.000225 0.000160 -0.003367 ATOM 184 HA ARG 10 8.688 5.499 8.175 1.00 2.00 ATOM 185 CB ARG 10 9.858 4.013 9.199 1.00 1.81 ANISO 0.021862 0.027108 0.020523 -0.001367 -0.001605 -0.002167 ATOM 186 HB1 ARG 10 10.381 4.787 9.782 1.00 1.74 ATOM 187 HB2 ARG 10 9.685 3.157 9.859 1.00 1.74 ATOM 188 CG ARG 10 10.765 3.571 8.046 1.00 2.06 ANISO 0.026484 0.027057 0.025861 -0.004259 0.002003 -0.000934 ATOM 189 HG1 ARG 10 11.637 3.050 8.464 1.00 2.02 ATOM 190 HG2 ARG 10 10.216 2.851 7.424 1.00 2.02 ATOM 191 CD ARG 10 11.271 4.693 7.140 1.00 2.39 ANISO 0.030656 0.034722 0.026717 -0.004644 0.008067 -0.004232 ATOM 192 HD1 ARG 10 11.805 4.252 6.287 1.00 2.47 ATOM 193 HD2 ARG 10 10.408 5.248 6.743 1.00 2.47 ATOM 194 NE ARG 10 12.155 5.629 7.822 0.67 2.17 ANISO 0.032688 0.029510 0.021173 0.001067 0.007230 -0.006135 ATOM 195 HE ARG 10 12.395 5.417 8.779 0.67 2.37 ATOM 196 CZ ARG 10 12.685 6.723 7.300 0.67 2.61 ANISO 0.043410 0.026299 0.030557 -0.006310 0.016014 -0.010051 ATOM 197 NH1 ARG 10 12.435 7.053 6.054 0.67 3.37 ANISO 0.059564 0.034848 0.035380 0.001162 0.011358 -0.011268 ATOM 198 HH1AARG 10 11.835 6.464 5.481 0.67 4.94 ATOM 199 HH1BARG 10 12.830 7.890 5.651 0.67 4.94 ATOM 200 NH2 ARG 10 13.430 7.518 8.089 0.67 3.57 ANISO 0.063488 0.036278 0.037464 -0.012266 0.016251 -0.023250 ATOM 201 HH2AARG 10 13.585 7.262 9.066 0.67 4.64 ATOM 202 HH2BARG 10 13.845 8.356 7.728 0.67 4.64 ATOM 203 NE ARG 10 12.175 5.470 8.024 0.33 2.38 ANISO 0.039046 0.027548 0.025106 -0.000810 0.012038 -0.012985 ATOM 204 HE ARG 10 12.169 5.309 9.026 0.33 3.18 ATOM 205 CZ ARG 10 12.938 6.390 7.460 0.33 5.04 ANISO 0.110712 0.039437 0.043668 -0.004874 0.035147 -0.040499 ATOM 206 NH1 ARG 10 12.973 6.686 6.174 0.33 5.80 ANISO 0.105745 0.080918 0.036431 -0.011683 0.020620 -0.055540 ATOM 207 HH1AARG 10 13.525 7.467 5.829 0.33 8.07 ATOM 208 HH1BARG 10 12.378 6.184 5.524 0.33 8.07 ATOM 209 NH2 ARG 10 13.766 7.118 8.225 0.33 8.80 ANISO 0.189511 0.090957 0.057921 -0.039592 0.068155 -0.115624 ATOM 210 HH2AARG 10 14.297 7.872 7.809 0.33 12.81 ATOM 211 HH2BARG 10 13.824 6.947 9.214 0.33 12.81 ATOM 212 C ARG 10 7.809 3.578 7.811 1.00 1.57 ANISO 0.022146 0.021034 0.017172 0.000073 -0.001297 -0.001745 ATOM 213 O ARG 10 7.841 3.742 6.579 1.00 1.79 ANISO 0.026857 0.026207 0.015605 -0.000146 -0.000136 -0.002122 ATOM 214 N SER 11 7.209 2.524 8.369 1.00 1.71 ANISO 0.025348 0.021858 0.018400 -0.000559 -0.003374 -0.004992 ATOM 215 H0 SER 11 7.227 2.393 9.369 1.00 1.91 ATOM 216 CA SER 11 6.536 1.563 7.513 1.00 1.76 ANISO 0.026154 0.019184 0.022206 -0.001738 -0.004597 -0.002948 ATOM 217 HA SER 11 7.272 1.155 6.805 1.00 2.11 ATOM 218 CB SER 11 5.964 0.415 8.337 1.00 2.20 ANISO 0.031152 0.020793 0.032835 0.005101 -0.009113 -0.004851 ATOM 219 HB1 SER 11 5.271 0.808 9.092 1.00 2.41 ATOM 220 HB2 SER 11 5.413 -0.273 7.682 1.00 2.41 ATOM 221 OG SER 11 7.046 -0.269 8.961 1.00 3.38 ANISO 0.038506 0.031708 0.059890 0.019178 -0.014953 -0.001442 ATOM 222 HG SER 11 6.701 -1.004 9.482 1.00 2.99 ATOM 223 C SER 11 5.416 2.242 6.714 1.00 1.68 ANISO 0.025995 0.019936 0.018790 -0.001199 -0.003983 -0.003397 ATOM 224 O SER 11 5.226 1.995 5.515 1.00 1.97 ANISO 0.032039 0.024975 0.018917 -0.003895 -0.006072 -0.000241 ATOM 225 N ASN 12 4.663 3.117 7.384 1.00 1.70 ANISO 0.025895 0.022436 0.016980 0.002131 -0.000648 -0.002105 ATOM 226 H0 ASN 12 4.847 3.293 8.360 1.00 2.60 ATOM 227 CA ASN 12 3.570 3.849 6.734 0.37 1.67 ANISO 0.019516 0.027379 0.017185 -0.000071 0.006364 0.001481 ATOM 228 HA ASN 12 2.877 3.115 6.274 0.37 1.91 ATOM 229 CB ASN 12 2.839 4.762 7.725 0.37 1.73 ANISO 0.023579 0.020051 0.023003 0.005141 0.012506 0.000890 ATOM 230 HB1 ASN 12 3.571 5.322 8.333 0.37 2.05 ATOM 231 HB2 ASN 12 2.239 5.504 7.167 0.37 2.05 ATOM 232 CG ASN 12 1.911 3.954 8.663 0.37 1.99 ANISO 0.024992 0.024467 0.027157 0.009197 0.008364 -0.003294 ATOM 233 OD1 ASN 12 1.507 2.850 8.306 0.37 3.98 ANISO 0.060051 0.033763 0.059088 -0.008095 0.034922 -0.020416 ATOM 234 ND2 ASN 12 1.543 4.545 9.792 0.37 2.51 ANISO 0.031804 0.038708 0.025835 0.004088 0.007364 -0.004197 ATOM 235 HD2AASN 12 0.898 4.077 10.421 0.37 2.50 ATOM 236 HD2BASN 12 1.911 5.449 10.039 0.37 2.50 ATOM 237 CA ASN 12 3.608 3.828 6.686 0.63 1.99 ANISO 0.025206 0.028799 0.022480 0.008503 -0.000451 -0.002040 ATOM 238 HA ASN 12 3.009 3.092 6.150 0.63 1.79 ATOM 239 CB ASN 12 2.676 4.483 7.710 0.63 2.52 ANISO 0.033912 0.037342 0.025568 0.009325 0.008938 0.002073 ATOM 240 HB1 ASN 12 1.981 5.149 7.184 0.63 2.55 ATOM 241 HB2 ASN 12 3.279 5.096 8.394 0.63 2.55 ATOM 242 CG ASN 12 1.884 3.459 8.516 0.63 2.85 ANISO 0.033800 0.044532 0.031125 0.008398 0.013717 0.000956 ATOM 243 OD1 ASN 12 1.655 2.338 8.093 0.63 3.76 ANISO 0.051186 0.047176 0.046434 0.008233 0.017466 -0.009220 ATOM 244 ND2 ASN 12 1.468 3.910 9.693 0.63 4.09 ANISO 0.056861 0.064927 0.035496 0.004211 0.025318 0.003044 ATOM 245 HD2AASN 12 0.923 3.312 10.288 0.63 4.70 ATOM 246 HD2BASN 12 1.696 4.848 9.972 0.63 4.70 ATOM 247 C ASN 12 4.153 4.794 5.648 1.00 1.75 ANISO 0.028873 0.022639 0.015626 0.002369 0.001538 0.000918 ATOM 248 O ASN 12 3.548 4.958 4.582 1.00 2.26 ANISO 0.037114 0.034868 0.014989 0.003767 -0.001233 -0.003577 ATOM 249 N PHE 13 5.287 5.434 5.951 1.00 1.76 ANISO 0.030594 0.022242 0.014776 0.001768 0.001596 -0.001055 ATOM 250 H0 PHE 13 5.709 5.300 6.862 1.00 2.18 ATOM 251 CA PHE 13 5.941 6.321 4.996 1.00 1.67 ANISO 0.028357 0.020210 0.015779 0.000636 0.000883 -0.001381 ATOM 252 HA PHE 13 5.238 7.124 4.728 1.00 2.17 ATOM 253 CB PHE 13 7.174 6.943 5.670 1.00 2.07 ANISO 0.036128 0.023946 0.019710 0.001181 -0.004235 -0.006928 ATOM 254 HB1 PHE 13 6.847 7.506 6.557 1.00 2.82 ATOM 255 HB2 PHE 13 7.841 6.142 6.005 1.00 2.82 ATOM 256 CG PHE 13 7.938 7.876 4.754 0.40 2.15 ANISO 0.029815 0.027931 0.024796 0.003514 -0.009842 -0.012262 ATOM 257 CD1 PHE 13 8.967 7.345 3.956 0.40 2.89 ANISO 0.035910 0.045152 0.029948 -0.003943 -0.000776 -0.018841 ATOM 258 HD1 PHE 13 9.224 6.281 4.005 0.40 3.17 ATOM 259 CE1 PHE 13 9.662 8.216 3.095 0.40 4.68 ANISO 0.065182 0.097105 0.017827 -0.000657 0.000479 -0.050910 ATOM 260 HE1 PHE 13 10.444 7.835 2.467 0.40 5.04 ATOM 261 CZ PHE 13 9.354 9.586 3.057 0.40 4.94 ANISO 0.060279 0.098386 0.031189 0.027592 -0.012714 -0.050804 ATOM 262 HZ PHE 13 9.950 10.249 2.405 0.40 4.65 ATOM 263 CE2 PHE 13 8.313 10.126 3.823 0.40 4.26 ANISO 0.070288 0.052227 0.041456 0.025084 -0.022808 -0.034411 ATOM 264 HE2 PHE 13 8.078 11.177 3.793 0.40 4.37 ATOM 265 CD2 PHE 13 7.634 9.247 4.653 0.40 2.78 ANISO 0.045456 0.029235 0.032386 0.012004 -0.013643 -0.012155 ATOM 266 HD2 PHE 13 6.813 9.648 5.272 0.40 3.56 ATOM 267 CG PHE 13 7.850 8.000 4.843 0.60 2.04 ANISO 0.030144 0.022547 0.025595 0.001380 0.001692 -0.002876 ATOM 268 CD1 PHE 13 8.838 7.696 3.909 0.60 2.86 ANISO 0.042055 0.031787 0.036314 -0.009996 0.011772 -0.006233 ATOM 269 HD1 PHE 13 9.171 6.656 3.786 0.60 3.24 ATOM 270 CE1 PHE 13 9.436 8.693 3.152 0.60 4.04 ANISO 0.053449 0.061246 0.040545 -0.008785 0.017459 -0.028445 ATOM 271 HE1 PHE 13 10.207 8.450 2.401 0.60 4.07 ATOM 272 CZ PHE 13 9.044 10.011 3.312 0.60 3.66 ANISO 0.042412 0.054400 0.043802 0.020640 -0.006479 -0.020852 ATOM 273 HZ PHE 13 9.479 10.821 2.694 0.60 3.62 ATOM 274 CE2 PHE 13 8.069 10.334 4.283 0.60 3.03 ANISO 0.035373 0.030590 0.050675 0.016168 -0.011976 -0.007310 ATOM 275 HE2 PHE 13 7.779 11.386 4.446 0.60 2.69 ATOM 276 CD2 PHE 13 7.488 9.329 5.041 0.60 2.15 ANISO 0.028668 0.024014 0.029957 0.003126 -0.002405 -0.000170 ATOM 277 HD2 PHE 13 6.731 9.582 5.784 0.60 2.25 ATOM 278 C PHE 13 6.313 5.549 3.719 1.00 1.53 ANISO 0.023984 0.021920 0.012970 0.001688 0.000640 -0.002817 ATOM 279 O PHE 13 6.092 6.018 2.607 1.00 1.78 ANISO 0.028594 0.024373 0.015601 0.003350 -0.000806 -0.003252 ATOM 280 N ASN 14 6.891 4.355 3.904 1.00 1.62 ANISO 0.024463 0.022699 0.015240 0.000561 -0.000493 -0.001228 ATOM 281 H0 ASN 14 7.032 3.993 4.841 1.00 1.94 ATOM 282 CA ASN 14 7.323 3.600 2.746 1.00 1.54 ANISO 0.019386 0.023582 0.016245 0.000339 -0.000111 -0.001705 ATOM 283 HA ASN 14 7.945 4.263 2.131 1.00 1.90 ATOM 284 CB ASN 14 8.185 2.416 3.166 1.00 1.95 ANISO 0.022627 0.026330 0.025988 -0.001787 -0.004535 0.000730 ATOM 285 HB1 ASN 14 8.313 1.740 2.305 1.00 1.78 ATOM 286 HB2 ASN 14 7.679 1.859 3.962 1.00 1.78 ATOM 287 CG ASN 14 9.563 2.863 3.657 1.00 2.37 ANISO 0.021655 0.034661 0.034772 -0.001865 -0.007359 0.001033 ATOM 288 OD1 ASN 14 10.050 3.925 3.246 1.00 3.30 ANISO 0.027381 0.043296 0.056377 0.003106 -0.010233 -0.009606 ATOM 289 ND2 ASN 14 10.180 2.028 4.475 1.00 3.11 ANISO 0.030975 0.045108 0.043687 0.000243 -0.014378 0.006956 ATOM 290 HD2AASN 14 11.110 2.238 4.806 1.00 2.47 ATOM 291 HD2BASN 14 9.723 1.175 4.768 1.00 2.47 ATOM 292 C ASN 14 6.137 3.150 1.885 1.00 1.52 ANISO 0.018657 0.023708 0.016238 -0.000301 0.000413 -0.002396 ATOM 293 O ASN 14 6.247 3.117 0.662 1.00 2.19 ANISO 0.023191 0.042630 0.018557 -0.001800 0.001277 -0.008753 ATOM 294 N VAL 15 4.992 2.816 2.505 1.00 1.44 ANISO 0.019497 0.020368 0.015674 0.001193 0.000659 -0.002144 ATOM 295 H0 VAL 15 4.951 2.772 3.511 1.00 1.92 ATOM 296 CA VAL 15 3.812 2.516 1.696 1.00 1.42 ANISO 0.020146 0.017902 0.016631 0.002487 -0.000376 -0.003268 ATOM 297 HA VAL 15 4.112 1.793 0.929 1.00 1.82 ATOM 298 CB VAL 15 2.720 1.855 2.550 1.00 1.76 ANISO 0.020818 0.022069 0.024981 0.007768 0.000988 -0.004130 ATOM 299 HB VAL 15 2.576 2.454 3.465 1.00 1.65 ATOM 300 CG1 VAL 15 1.388 1.796 1.797 1.00 2.65 ANISO 0.022252 0.034191 0.045343 0.016063 -0.005745 -0.009026 ATOM 301 HG1AVAL 15 1.085 2.815 1.513 1.00 1.78 ATOM 302 HG1BVAL 15 0.620 1.349 2.439 1.00 1.78 ATOM 303 HG1CVAL 15 1.512 1.187 0.890 1.00 1.78 ATOM 304 CG2 VAL 15 3.172 0.458 2.967 1.00 2.37 ANISO 0.029985 0.023565 0.037444 0.012487 -0.003526 -0.004529 ATOM 305 HG2AVAL 15 4.119 0.522 3.507 1.00 2.31 ATOM 306 HG2BVAL 15 3.304 -0.159 2.060 1.00 2.31 ATOM 307 HG2CVAL 15 2.405 0.000 3.605 1.00 2.31 ATOM 308 C VAL 15 3.309 3.775 0.971 1.00 1.44 ANISO 0.020943 0.017974 0.016614 0.003269 0.000416 -0.003666 ATOM 309 O VAL 15 2.967 3.733 -0.208 1.00 1.75 ANISO 0.027135 0.021532 0.018529 0.002430 -0.002725 -0.004707 ATOM 310 N CYS 16 3.266 4.909 1.698 1.00 1.52 ANISO 0.022407 0.018049 0.018176 0.002609 0.000435 -0.001523 ATOM 311 H0 CYS 16 3.521 4.890 2.672 1.00 1.88 ATOM 312 CA CYS 16 2.853 6.168 1.083 1.00 1.52 ANISO 0.019606 0.019045 0.019684 0.002076 0.000702 -0.000402 ATOM 313 HA CYS 16 1.798 6.086 0.793 1.00 1.95 ATOM 314 CB CYS 16 2.981 7.259 2.156 1.00 1.93 ANISO 0.028680 0.020741 0.024770 -0.001267 0.001974 0.000042 ATOM 315 HB1 CYS 16 4.007 7.260 2.541 1.00 2.41 ATOM 316 HB2 CYS 16 2.312 7.003 2.995 1.00 2.41 ATOM 317 SG CYS 16 2.572 8.932 1.593 1.00 2.18 ANISO 0.027779 0.019815 0.036130 -0.003422 -0.004972 0.003127 ATOM 318 C CYS 16 3.680 6.498 -0.171 1.00 1.42 ANISO 0.018925 0.018035 0.017538 0.002667 -0.000962 -0.000593 ATOM 319 O CYS 16 3.157 7.039 -1.145 1.00 1.78 ANISO 0.024056 0.024835 0.019758 0.005504 -0.003104 0.000973 ATOM 320 N ARG 17 4.979 6.166 -0.135 1.00 1.44 ANISO 0.018825 0.019570 0.017162 0.003520 -0.000440 -0.001238 ATOM 321 H0 ARG 17 5.353 5.697 0.677 1.00 1.75 ATOM 322 CA ARG 17 5.851 6.473 -1.246 1.00 1.49 ANISO 0.019069 0.017938 0.020401 0.002225 0.001132 -0.003508 ATOM 323 HA ARG 17 5.638 7.506 -1.565 1.00 1.87 ATOM 324 CB ARG 17 7.317 6.416 -0.801 1.00 1.68 ANISO 0.019434 0.021701 0.023415 0.002506 0.000045 -0.003121 ATOM 325 HB1 ARG 17 7.963 6.441 -1.689 1.00 1.47 ATOM 326 HB2 ARG 17 7.496 5.462 -0.282 1.00 1.47 ATOM 327 CG ARG 17 7.692 7.572 0.124 1.00 1.88 ANISO 0.023015 0.025768 0.023472 0.001913 -0.001597 -0.007543 ATOM 328 HG1 ARG 17 6.891 7.708 0.871 1.00 1.89 ATOM 329 HG2 ARG 17 8.610 7.314 0.671 1.00 1.89 ATOM 330 CD ARG 17 7.904 8.893 -0.613 1.00 2.03 ANISO 0.020875 0.020926 0.036107 -0.000055 0.006942 -0.004502 ATOM 331 HD1 ARG 17 7.068 9.070 -1.298 1.00 1.78 ATOM 332 HD2 ARG 17 7.942 9.719 0.112 1.00 1.78 ATOM 333 NE ARG 17 9.157 8.834 -1.363 1.00 2.11 ANISO 0.018981 0.026744 0.035242 0.005421 0.005321 -0.001727 ATOM 334 HE ARG 17 9.844 8.156 -1.063 1.00 1.56 ATOM 335 CZ ARG 17 9.471 9.601 -2.395 1.00 1.94 ANISO 0.022635 0.026321 0.025760 -0.000670 0.005020 -0.003370 ATOM 336 NH1 ARG 17 8.588 10.417 -2.963 1.00 2.57 ANISO 0.027971 0.036518 0.034393 0.009061 0.008034 0.001751 ATOM 337 HH1AARG 17 7.647 10.466 -2.598 1.00 2.16 ATOM 338 HH1BARG 17 8.855 10.985 -3.749 1.00 2.16 ATOM 339 NH2 ARG 17 10.715 9.560 -2.895 1.00 2.52 ANISO 0.025882 0.038213 0.032755 0.000675 0.010339 -0.001555 ATOM 340 HH2AARG 17 10.968 10.148 -3.670 1.00 1.93 ATOM 341 HH2BARG 17 11.402 8.949 -2.475 1.00 1.93 ATOM 342 C ARG 17 5.640 5.555 -2.454 1.00 1.59 ANISO 0.020965 0.022658 0.017643 0.001604 0.000885 -0.005055 ATOM 343 O ARG 17 6.034 5.931 -3.561 1.00 2.19 ANISO 0.032179 0.031686 0.020206 -0.000056 0.006398 -0.013432 ATOM 344 N LEU 18 5.056 4.362 -2.273 1.00 1.63 ANISO 0.023307 0.020162 0.019158 0.001612 0.001191 -0.003257 ATOM 345 H0 LEU 18 4.678 4.118 -1.368 1.00 1.89 ATOM 346 CA LEU 18 4.953 3.419 -3.385 1.00 1.65 ANISO 0.025625 0.017924 0.019756 0.001138 0.000955 -0.001163 ATOM 347 HA LEU 18 5.977 3.122 -3.649 1.00 2.08 ATOM 348 CB LEU 18 4.205 2.149 -2.983 1.00 2.05 ANISO 0.032985 0.019202 0.026809 0.004956 -0.002057 -0.004397 ATOM 349 HB1 LEU 18 3.252 2.444 -2.515 1.00 2.47 ATOM 350 HB2 LEU 18 3.961 1.587 -3.893 1.00 2.47 ATOM 351 CG LEU 18 4.942 1.212 -2.020 1.00 2.27 ANISO 0.038970 0.022770 0.025529 0.005593 -0.002487 -0.002078 ATOM 352 HG LEU 18 5.214 1.786 -1.123 1.00 3.07 ATOM 353 CD1 LEU 18 3.986 0.097 -1.593 1.00 3.58 ANISO 0.059372 0.031855 0.046552 0.017779 -0.007506 -0.013830 ATOM 354 HD1ALEU 18 3.072 0.531 -1.174 1.00 4.36 ATOM 355 HD1BLEU 18 4.473 -0.542 -0.850 1.00 4.36 ATOM 356 HD1CLEU 18 3.724 -0.512 -2.480 1.00 4.36 ATOM 357 CD2 LEU 18 6.203 0.628 -2.640 1.00 3.55 ANISO 0.047624 0.033977 0.054820 0.011326 0.003429 0.013781 ATOM 358 HD2ALEU 18 6.874 1.459 -2.925 1.00 3.84 ATOM 359 HD2BLEU 18 5.949 0.035 -3.508 1.00 3.84 ATOM 360 HD2CLEU 18 6.713 0.006 -1.884 1.00 3.84 ATOM 361 C LEU 18 4.320 4.013 -4.638 1.00 1.52 ANISO 0.023036 0.017149 0.018238 0.000023 0.002810 -0.003133 ATOM 362 O LEU 18 4.849 3.781 -5.745 1.00 1.80 ANISO 0.027409 0.020753 0.021062 -0.000049 0.005109 -0.000074 ATOM 363 N PRO 19 3.208 4.756 -4.575 1.00 1.61 ANISO 0.021853 0.021693 0.018251 -0.000347 0.002235 -0.002088 ATOM 364 CA PRO 19 2.658 5.337 -5.804 1.00 1.76 ANISO 0.023273 0.022090 0.022505 0.000267 -0.001537 -0.001136 ATOM 365 HA PRO 19 2.626 4.567 -6.588 1.00 1.94 ATOM 366 CB PRO 19 1.228 5.739 -5.416 1.00 2.23 ANISO 0.021709 0.034890 0.028994 -0.000314 -0.001925 -0.000327 ATOM 367 HB1 PRO 19 0.937 6.674 -5.914 0.85 1.71 ATOM 368 HB2 PRO 19 0.513 4.950 -5.697 0.85 1.71 ATOM 369 CG PRO 19 1.283 5.914 -3.890 0.85 2.24 ANISO 0.024232 0.032066 0.029749 -0.002096 0.002481 0.002441 ATOM 370 HG1 PRO 19 1.641 6.918 -3.632 0.85 1.82 ATOM 371 HG2 PRO 19 0.289 5.761 -3.450 0.85 1.82 ATOM 372 HB1 PRO 19 1.641 6.918 -3.632 0.15 1.82 ATOM 373 HB2 PRO 19 0.289 5.761 -3.450 0.15 1.82 ATOM 374 CG PRO 19 0.980 5.128 -4.148 0.15 1.94 ATOM 375 HG1 PRO 19 0.407 4.212 -4.254 0.15 0.74 ATOM 376 HG2 PRO 19 0.378 5.832 -3.516 0.15 0.74 ATOM 377 CD PRO 19 2.251 4.859 -3.445 1.00 2.21 ANISO 0.025849 0.040621 0.018427 -0.000406 0.003899 0.005122 ATOM 378 HD1 PRO 19 2.758 5.156 -2.518 0.85 1.94 ATOM 379 HD2 PRO 19 1.736 3.898 -3.277 0.85 1.94 ATOM 380 HD1 PRO 19 2.194 3.911 -2.885 0.15 1.94 ATOM 381 HD2 PRO 19 2.524 5.667 -2.757 0.15 1.94 ATOM 382 C PRO 19 3.432 6.551 -6.320 1.00 2.09 ANISO 0.027790 0.026779 0.025871 0.006325 0.000740 -0.001275 ATOM 383 O PRO 19 3.085 7.064 -7.380 1.00 3.59 ANISO 0.046551 0.055300 0.036074 0.025443 -0.007380 -0.011845 ATOM 384 N GLY 20 4.418 7.027 -5.562 1.00 1.85 ANISO 0.026830 0.017983 0.026489 -0.001484 0.006814 -0.002537 ATOM 385 H0 GLY 20 4.620 6.586 -4.670 1.00 2.00 ATOM 386 CAG GLY 20 5.223 8.165 -5.956 1.00 2.43 ANISO 0.034594 0.018193 0.040715 -0.003708 0.019381 -0.004033 ATOM 387 HA1 GLY 20 5.084 8.317 -7.042 1.00 2.74 ATOM 388 HA2 GLY 20 6.280 7.925 -5.794 1.00 2.74 ATOM 389 C GLY 20 4.905 9.465 -5.246 1.00 1.96 ANISO 0.025042 0.016497 0.033843 -0.000794 0.009837 -0.002774 ATOM 390 O GLY 20 5.445 10.504 -5.622 1.00 2.95 ANISO 0.051745 0.020608 0.041289 -0.000615 0.022677 -0.009056 ATOM 391 N THR 21 4.060 9.403 -4.214 1.00 1.65 ANISO 0.022284 0.016507 0.024609 -0.001800 0.003643 -0.003403 ATOM 392 H0 THR 21 3.675 8.509 -3.956 1.00 1.99 ATOM 393 CA THR 21 3.667 10.578 -3.462 1.00 1.41 ANISO 0.017805 0.017082 0.019217 -0.000239 -0.000032 -0.000923 ATOM 394 HA THR 21 3.019 11.230 -4.065 1.00 1.78 ATOM 395 CB THR 21 2.931 10.115 -2.178 1.00 1.51 ANISO 0.017421 0.018254 0.022549 0.000645 0.000332 -0.000730 ATOM 396 HB THR 21 3.666 9.653 -1.505 1.00 1.34 ATOM 397 OG1 THR 21 1.961 9.127 -2.549 1.00 1.91 ANISO 0.020852 0.021547 0.030996 0.005150 -0.003089 -0.004638 ATOM 398 HG1 THR 21 2.096 8.330 -2.013 1.00 1.66 ATOM 399 CG2 THR 21 2.282 11.276 -1.460 1.00 2.10 ANISO 0.023845 0.024407 0.032525 -0.003103 0.007407 0.002123 ATOM 400 HG2ATHR 21 1.604 11.800 -2.155 1.00 1.97 ATOM 401 HG2BTHR 21 3.056 11.973 -1.114 1.00 1.97 ATOM 402 HG2CTHR 21 1.709 10.903 -0.604 1.00 1.97 ATOM 403 C THR 21 4.920 11.339 -3.006 1.00 1.56 ANISO 0.017539 0.018462 0.024013 -0.000124 -0.000292 -0.002202 ATOM 404 O THR 21 5.842 10.730 -2.473 1.00 2.22 ANISO 0.020014 0.026311 0.038973 0.006861 -0.006389 -0.003321 ATOM 405 N PRO 22 4.920 12.673 -3.111 1.00 1.77 ANISO 0.021153 0.018538 0.028205 -0.002583 -0.001499 -0.003413 ATOM 406 CA PRO 22 6.033 13.465 -2.618 0.57 1.62 ANISO 0.027058 0.018237 0.016834 -0.005280 0.005986 -0.011774 ATOM 407 HA PRO 22 6.936 13.262 -3.227 0.57 2.17 ATOM 408 CB PRO 22 5.556 14.910 -2.821 0.57 2.80 ANISO 0.066677 0.012162 0.028966 -0.001554 -0.000773 -0.015722 ATOM 409 HB1 PRO 22 4.976 15.277 -1.983 0.57 4.46 ATOM 410 HB2 PRO 22 6.386 15.590 -3.032 0.57 4.46 ATOM 411 CG PRO 22 4.642 14.861 -4.063 0.57 2.60 ANISO 0.042827 0.017355 0.040003 0.007367 -0.000944 -0.003504 ATOM 412 HG1 PRO 22 5.237 14.892 -4.997 0.57 3.24 ATOM 413 HG2 PRO 22 3.925 15.683 -4.071 0.57 3.24 ATOM 414 CD PRO 22 3.946 13.514 -3.917 0.57 2.21 ANISO 0.030785 0.017336 0.036926 0.005946 -0.001413 -0.000766 ATOM 415 HD1 PRO 22 3.759 13.058 -4.904 0.57 2.27 ATOM 416 HD2 PRO 22 2.987 13.631 -3.396 0.57 2.27 ATOM 417 C PRO 22 6.377 13.148 -1.170 0.57 1.31 ANISO 0.017830 0.016964 0.015491 -0.007443 0.008592 -0.011369 ATOM 418 O PRO 22 5.467 13.038 -0.334 0.57 1.65 ANISO 0.018891 0.025640 0.019098 -0.007323 0.006295 -0.007983 ATOM 419 N GLU 23 7.680 13.195 -0.861 1.00 1.84 ANISO 0.025922 0.024305 0.020532 -0.003346 0.006222 -0.007052 ATOM 420 H0 GLU 23 8.367 13.339 -1.587 1.00 4.44 ATOM 421 CA GLU 23 8.117 13.004 0.523 1.00 1.79 ANISO 0.024584 0.021054 0.023081 -0.001331 0.006209 -0.002888 ATOM 422 HA GLU 23 7.842 11.987 0.812 1.00 1.67 ATOM 423 CB GLU 23 9.621 13.169 0.679 1.00 2.12 ANISO 0.024392 0.028262 0.028984 -0.004368 0.005737 -0.000312 ATOM 424 HB1 GLU 23 9.909 14.174 0.330 1.00 1.90 ATOM 425 HB2 GLU 23 9.866 13.112 1.750 1.00 1.90 ATOM 426 CG GLU 23 10.461 12.136 -0.059 0.58 2.54 ANISO 0.037844 0.033827 0.026020 0.000215 0.013757 0.005250 ATOM 427 HG1 GLU 23 10.088 11.131 0.184 0.58 2.64 ATOM 428 HG2 GLU 23 10.315 12.279 -1.151 0.58 2.64 ATOM 429 CD GLU 23 11.950 12.215 0.256 0.58 4.68 ANISO 0.039485 0.106147 0.034278 -0.015667 0.008718 0.010965 ATOM 430 OE2 GLU 23 12.633 11.206 0.140 0.58 7.22 ANISO 0.050740 0.123454 0.103596 0.019321 0.019462 0.033662 ATOM 431 OE1 GLU 23 12.396 13.332 0.540 0.58 7.75 ANISO 0.037574 0.133118 0.127422 -0.054096 0.020596 -0.008536 ATOM 432 CG GLU 23 10.411 11.986 0.109 0.42 1.81 ANISO 0.026948 0.021507 0.021243 0.004389 0.005261 0.000305 ATOM 433 HG1 GLU 23 10.278 11.966 -0.978 0.42 2.17 ATOM 434 HG2 GLU 23 9.992 11.058 0.519 0.42 2.17 ATOM 435 CD GLU 23 11.911 12.046 0.444 0.42 2.39 ANISO 0.025094 0.029543 0.037353 0.004657 0.003611 0.011316 ATOM 436 OE1 GLU 23 12.436 13.122 0.801 0.42 2.66 ANISO 0.018808 0.039381 0.044202 0.007514 -0.005290 0.002762 ATOM 437 OE2 GLU 23 12.523 10.952 0.319 0.42 4.10 ANISO 0.048399 0.047138 0.062282 -0.018540 -0.016931 0.030521 ATOM 438 C GLU 23 7.393 13.968 1.458 1.00 1.62 ANISO 0.021765 0.020508 0.020168 -0.000559 0.004517 -0.002514 ATOM 439 O GLU 23 7.065 13.585 2.590 1.00 1.95 ANISO 0.028024 0.026362 0.020789 0.002658 0.006752 0.001298 ATOM 440 N ALA 24 7.186 15.228 1.041 1.00 1.60 ANISO 0.024178 0.020356 0.016837 -0.001221 0.003462 -0.002881 ATOM 441 H0 ALA 24 7.415 15.501 0.098 1.00 1.96 ATOM 442 CA ALA 24 6.618 16.198 1.968 1.00 1.64 ANISO 0.022540 0.018284 0.022445 -0.002395 0.002892 -0.003045 ATOM 443 HA ALA 24 7.242 16.200 2.880 1.00 2.23 ATOM 444 CB ALA 24 6.663 17.597 1.366 1.00 2.41 ANISO 0.035939 0.019533 0.037351 0.002868 0.007003 -0.005594 ATOM 445 HB1 ALA 24 7.700 17.839 1.080 1.00 2.85 ATOM 446 HB2 ALA 24 6.306 18.330 2.097 1.00 2.85 ATOM 447 HB3 ALA 24 6.025 17.628 0.470 1.00 2.85 ATOM 448 C ALA 24 5.192 15.820 2.384 1.00 1.49 ANISO 0.021968 0.018163 0.017222 0.001055 0.001435 -0.000706 ATOM 449 O ALA 24 4.796 16.038 3.532 1.00 1.83 ANISO 0.022859 0.026689 0.020820 -0.002668 0.002295 -0.001938 ATOM 450 N LEU 25 4.399 15.284 1.442 1.00 1.58 ANISO 0.022963 0.018989 0.018867 0.000288 0.001501 -0.002899 ATOM 451 H0 LEU 25 4.728 15.201 0.490 1.00 2.39 ATOM 452 CA LEU 25 3.049 14.825 1.782 1.00 1.46 ANISO 0.019693 0.017860 0.018778 0.001005 -0.001150 -0.000415 ATOM 453 HA LEU 25 2.555 15.614 2.367 1.00 1.69 ATOM 454 CB LEU 25 2.220 14.617 0.514 0.57 1.24 ANISO 0.018441 0.013683 0.015657 0.001283 -0.001262 0.002654 ATOM 455 HB1 LEU 25 2.907 14.133 -0.269 0.57 1.73 ATOM 456 HB2 LEU 25 1.403 13.964 0.663 0.57 1.73 ATOM 457 CG LEU 25 1.727 15.943 -0.096 0.57 1.75 ANISO 0.020653 0.022035 0.024595 0.009098 -0.003567 0.005463 ATOM 458 HG LEU 25 2.597 16.666 -0.148 0.57 2.94 ATOM 459 CD1 LEU 25 1.233 15.665 -1.527 0.57 3.89 ANISO 0.061541 0.059854 0.028069 0.000419 -0.016032 0.028130 ATOM 460 HD1ALEU 25 0.239 16.180 -1.604 0.57 3.21 ATOM 461 HD1BLEU 25 1.141 14.630 -1.674 0.57 3.21 ATOM 462 HD1CLEU 25 1.919 16.147 -2.234 0.57 3.21 ATOM 463 CD2 LEU 25 0.606 16.589 0.780 0.57 2.08 ANISO 0.018212 0.023163 0.038484 -0.004215 -0.005389 0.005676 ATOM 464 HD2ALEU 25 0.109 17.390 0.242 0.57 1.54 ATOM 465 HD2BLEU 25 1.036 16.983 1.724 0.57 1.54 ATOM 466 HD2CLEU 25 -0.130 15.802 1.042 0.57 1.54 ATOM 467 C LEU 25 3.104 13.562 2.637 1.00 1.47 ANISO 0.019600 0.019917 0.017176 0.002441 0.001189 -0.000133 ATOM 468 O LEU 25 2.329 13.397 3.578 1.00 2.01 ANISO 0.027822 0.028345 0.021282 0.005141 0.007596 0.002534 ATOM 469 N CYS 26 4.023 12.631 2.302 1.00 1.54 ANISO 0.021256 0.018107 0.019698 0.003402 0.002741 0.000204 ATOM 470 H0 CYS 26 4.614 12.748 1.495 1.00 1.82 ATOM 471 CA CYS 26 4.137 11.460 3.155 1.00 1.49 ANISO 0.021512 0.018039 0.017764 0.002615 0.000392 -0.001128 ATOM 472 HA CYS 26 3.134 11.023 3.248 1.00 1.91 ATOM 473 CB CYS 26 5.036 10.397 2.542 1.00 1.78 ANISO 0.025295 0.020441 0.022810 0.000611 0.000679 0.001844 ATOM 474 HB1 CYS 26 5.184 9.587 3.266 1.00 2.00 ATOM 475 HB2 CYS 26 6.021 10.841 2.329 1.00 2.00 ATOM 476 SG CYS 26 4.363 9.697 1.004 1.00 2.00 ANISO 0.036698 0.021496 0.018637 -0.000101 0.000698 0.001408 ATOM 477 C CYS 26 4.609 11.824 4.566 1.00 1.58 ANISO 0.022737 0.021314 0.016596 0.002229 0.001462 -0.000863 ATOM 478 O CYS 26 4.232 11.135 5.526 1.00 2.02 ANISO 0.031250 0.026268 0.020188 0.005066 0.001568 -0.006210 ATOM 479 N ALA 27 5.399 12.889 4.698 1.00 1.58 ANISO 0.021505 0.022762 0.016391 0.002129 0.001039 -0.001864 ATOM 480 H0 ALA 27 5.696 13.388 3.870 1.00 1.99 ATOM 481 CA ALA 27 5.848 13.358 6.013 1.00 1.56 ANISO 0.018911 0.023396 0.017576 0.002547 -0.000209 -0.000567 ATOM 482 HA ALA 27 6.321 12.517 6.531 1.00 1.83 ATOM 483 CB ALA 27 6.895 14.454 5.817 1.00 2.01 ANISO 0.024129 0.030276 0.022731 0.003418 -0.000087 -0.006537 ATOM 484 HB1 ALA 27 7.721 14.068 5.208 1.00 1.96 ATOM 485 HB2 ALA 27 7.281 14.765 6.802 1.00 1.96 ATOM 486 HB3 ALA 27 6.437 15.317 5.317 1.00 1.96 ATOM 487 C ALA 27 4.661 13.833 6.853 1.00 1.59 ANISO 0.020075 0.022068 0.019119 0.002910 0.000269 -0.000073 ATOM 488 O ALA 27 4.474 13.365 7.975 1.00 1.97 ANISO 0.024695 0.033973 0.017162 0.003963 0.001306 0.001997 ATOM 489 N THR 28 3.842 14.769 6.324 1.00 1.80 ANISO 0.025282 0.025410 0.018722 0.002778 0.001740 0.004349 ATOM 490 H0 THR 28 3.999 15.151 5.406 1.00 1.96 ATOM 491 CA THR 28 2.709 15.201 7.140 1.00 2.00 ANISO 0.025638 0.025647 0.025526 0.001310 0.004048 0.004441 ATOM 492 HA THR 28 3.111 15.493 8.123 1.00 2.43 ATOM 493 CB THR 28 2.026 16.441 6.550 1.00 2.05 ANISO 0.022670 0.021839 0.034183 0.000469 -0.000189 0.000599 ATOM 494 HB THR 28 1.091 16.626 7.099 1.00 1.76 ATOM 495 OG1 THR 28 1.703 16.141 5.199 1.00 2.18 ANISO 0.024521 0.024714 0.034650 0.000686 -0.003018 0.001849 ATOM 496 HG1 THR 28 0.931 16.656 4.926 1.00 1.85 ATOM 497 CG2 THR 28 2.896 17.678 6.658 1.00 2.78 ANISO 0.030898 0.027401 0.048738 -0.002679 -0.005660 -0.005125 ATOM 498 HG2ATHR 28 2.373 18.537 6.208 1.00 2.51 ATOM 499 HG2BTHR 28 3.840 17.507 6.106 1.00 2.51 ATOM 500 HG2CTHR 28 3.120 17.887 7.705 1.00 2.51 ATOM 501 C THR 28 1.709 14.080 7.372 1.00 2.16 ANISO 0.031320 0.025278 0.026542 0.001763 0.009752 0.003945 ATOM 502 O THR 28 1.003 14.076 8.392 1.00 3.71 ANISO 0.062713 0.039069 0.041064 -0.004909 0.030769 -0.008432 ATOM 503 N TYR 29 1.615 13.119 6.446 1.00 1.79 ANISO 0.019624 0.027082 0.022233 0.004092 0.002108 0.003230 ATOM 504 H0 TYR 29 2.189 13.163 5.619 1.00 2.23 ATOM 505 CA TYR 29 0.682 11.998 6.634 1.00 2.06 ANISO 0.018440 0.034552 0.026092 0.009467 0.000742 -0.000066 ATOM 506 HA TYR 29 -0.305 12.432 6.869 1.00 2.46 ATOM 507 CB TYR 29 0.595 11.251 5.312 1.00 2.90 ANISO 0.039524 0.043496 0.028697 0.006086 -0.003037 -0.015976 ATOM 508 HB1 TYR 29 1.608 11.260 4.881 1.00 3.05 ATOM 509 HB2 TYR 29 -0.023 11.879 4.641 1.00 3.05 ATOM 510 CG TYR 29 0.082 9.883 5.223 0.33 2.10 ATOM 511 CD1 TYR 29 -1.277 9.577 5.462 0.33 2.18 ATOM 512 HD1 TYR 29 -1.952 10.416 5.639 0.33 2.31 ATOM 513 CE1 TYR 29 -1.770 8.282 5.470 0.33 2.51 ATOM 514 HE1 TYR 29 -2.815 8.093 5.718 0.33 1.77 ATOM 515 CZ TYR 29 -0.902 7.203 5.174 0.33 1.85 ATOM 516 CE2 TYR 29 0.444 7.453 4.914 0.33 1.81 ATOM 517 HE2 TYR 29 1.142 6.615 4.735 0.33 1.68 ATOM 518 CD2 TYR 29 0.905 8.765 4.915 0.33 1.84 ATOM 519 HD2 TYR 29 1.974 8.969 4.710 0.33 2.17 ATOM 520 OH TYR 29 -1.396 5.935 5.192 0.33 2.32 ATOM 521 HH TYR 29 -0.691 5.310 4.980 0.33 2.16 ATOM 522 CG TYR 29 -0.527 10.323 5.335 0.32 2.22 ATOM 523 CD1 TYR 29 -1.702 10.497 6.067 0.32 5.70 ATOM 524 HD1 TYR 29 -1.845 11.290 6.728 0.32 5.24 ATOM 525 CE1 TYR 29 -2.716 9.563 5.801 0.32 5.50 ATOM 526 HE1 TYR 29 -3.652 9.561 6.477 0.32 3.36 ATOM 527 CZ TYR 29 -2.585 8.498 4.919 0.32 3.67 ATOM 528 CE2 TYR 29 -1.341 8.353 4.165 0.32 6.95 ATOM 529 HE2 TYR 29 -1.334 7.763 3.287 0.32 4.96 ATOM 530 CD2 TYR 29 -0.474 9.166 4.438 0.32 5.51 ATOM 531 HD2 TYR 29 0.662 8.977 4.195 0.32 4.17 ATOM 532 OH TYR 29 -3.515 7.548 4.721 0.32 4.87 ATOM 533 HH TYR 29 -4.277 7.706 5.345 0.32 4.11 ATOM 534 CG TYR 29 -0.072 9.797 5.367 0.12 1.09 ATOM 535 CD1 TYR 29 -1.491 9.746 5.481 0.12 2.05 ATOM 536 HD1 TYR 29 -2.031 10.693 5.657 0.12 1.70 ATOM 537 CE1 TYR 29 -2.157 8.525 5.565 0.12 2.59 ATOM 538 HE1 TYR 29 -3.268 8.568 5.500 0.12 2.08 ATOM 539 CZ TYR 29 -1.510 7.335 5.594 0.12 2.30 ATOM 540 CE2 TYR 29 -0.103 7.328 5.446 0.12 4.08 ATOM 541 CD2 TYR 29 0.588 8.664 5.344 0.12 3.03 ATOM 542 OH TYR 29 -2.176 6.193 5.811 0.12 1.75 ATOM 543 HH TYR 29 -1.727 5.614 6.403 0.12 2.48 ATOM 544 CG TYR 29 -0.538 10.229 5.466 0.23 3.54 ATOM 545 CD1 TYR 29 -1.871 10.631 5.766 0.23 1.19 ATOM 546 HD1 TYR 29 -2.120 11.646 5.826 0.23 1.28 ATOM 547 CE1 TYR 29 -2.894 9.522 5.832 0.23 2.10 ATOM 548 HE1 TYR 29 -3.912 9.937 6.035 0.23 2.20 ATOM 549 CZ TYR 29 -2.529 8.310 5.656 0.23 3.34 ATOM 550 CE2 TYR 29 -1.254 7.954 5.264 0.23 3.73 ATOM 551 HE2 TYR 29 -1.122 7.006 4.724 0.23 4.88 ATOM 552 CD2 TYR 29 -0.242 8.856 5.219 0.23 3.73 ATOM 553 HD2 TYR 29 0.769 8.549 5.217 0.23 4.30 ATOM 554 OH TYR 29 -3.511 7.348 6.122 0.23 3.84 ATOM 555 HH TYR 29 -3.840 6.852 5.380 0.23 4.85 ATOM 556 C TYR 29 1.099 11.101 7.798 1.00 1.96 ANISO 0.018457 0.034385 0.022501 0.008791 0.003856 0.002253 ATOM 557 O TYR 29 0.235 10.553 8.484 1.00 3.46 ANISO 0.021257 0.066881 0.045032 0.032019 0.009298 0.003531 ATOM 558 N THR 30 2.412 10.895 7.977 1.00 1.82 ANISO 0.018296 0.025198 0.026596 0.008245 0.002810 0.001231 ATOM 559 H0 THR 30 3.067 11.477 7.467 1.00 2.28 ATOM 560 CA THR 30 2.928 9.888 8.890 1.00 2.27 ANISO 0.022141 0.028624 0.036377 0.015707 0.006030 0.003403 ATOM 561 HA THR 30 2.100 9.206 9.136 1.00 2.85 ATOM 562 CB THR 30 4.034 9.054 8.200 1.00 3.02 ANISO 0.032658 0.028007 0.055566 0.018420 0.014649 0.010479 ATOM 563 HB THR 30 4.405 8.330 8.936 1.00 2.58 ATOM 564 OG1 THR 30 5.122 9.910 7.846 1.00 2.62 ANISO 0.022768 0.042728 0.035091 0.016107 0.003701 0.006551 ATOM 565 HG1 THR 30 4.859 10.481 7.108 1.00 1.82 ATOM 566 CG2 THR 30 3.497 8.286 7.005 1.00 4.46 ANISO 0.061370 0.025020 0.085298 -0.008088 0.027244 -0.006647 ATOM 567 HG2ATHR 30 4.320 7.705 6.555 1.00 4.97 ATOM 568 HG2BTHR 30 3.094 8.984 6.267 1.00 4.97 ATOM 569 HG2CTHR 30 2.710 7.597 7.340 1.00 4.97 ATOM 570 C THR 30 3.529 10.417 10.187 1.00 2.72 ANISO 0.023008 0.049529 0.032222 0.021522 0.003263 0.002410 ATOM 571 O THR 30 3.711 9.610 11.106 1.00 4.09 ANISO 0.045131 0.072048 0.039986 0.034546 0.000458 0.005334 ATOM 572 N GLY 31 3.930 11.687 10.207 1.00 2.53 ANISO 0.020564 0.050673 0.026189 0.010907 0.001825 0.000632 ATOM 573 H0 GLY 31 3.647 12.304 9.453 1.00 3.19 ATOM 574 CAG GLY 31 4.737 12.204 11.285 1.00 3.06 ANISO 0.023213 0.071422 0.023027 0.001733 0.003890 0.005223 ATOM 575 HA1 GLY 31 4.504 11.647 12.195 1.00 1.81 ATOM 576 HA2 GLY 31 4.455 13.258 11.454 1.00 1.81 ATOM 577 C GLY 31 6.230 12.146 11.037 1.00 2.09 ANISO 0.021820 0.038309 0.020225 0.002326 0.001081 0.002532 ATOM 578 O GLY 31 6.995 12.659 11.867 1.00 2.45 ANISO 0.028472 0.041756 0.023937 -0.006823 -0.002131 0.006140 ATOM 579 N CYS 32 6.674 11.512 9.951 1.00 1.93 ANISO 0.020745 0.034224 0.019327 0.001175 0.002285 -0.004642 ATOM 580 H0 CYS 32 6.031 10.957 9.401 1.00 2.69 ATOM 581 CA CYS 32 8.066 11.594 9.568 1.00 1.78 ANISO 0.019826 0.025898 0.022813 -0.000743 0.002713 -0.004226 ATOM 582 HA CYS 32 8.695 11.345 10.432 1.00 2.38 ATOM 583 CB CYS 32 8.382 10.620 8.435 1.00 1.88 ANISO 0.024925 0.025731 0.021582 -0.000156 0.003731 -0.003412 ATOM 584 HB1 CYS 32 9.444 10.713 8.173 1.00 1.98 ATOM 585 HB2 CYS 32 7.797 10.917 7.546 1.00 1.98 ATOM 586 SG CYS 32 8.013 8.869 8.821 1.00 2.02 ANISO 0.024730 0.024590 0.028385 -0.000043 -0.002183 -0.007614 ATOM 587 C CYS 32 8.384 13.046 9.125 1.00 1.86 ANISO 0.023537 0.025613 0.022427 -0.000467 0.003746 -0.001896 ATOM 588 O CYS 32 7.487 13.855 8.919 1.00 2.53 ANISO 0.026152 0.035179 0.035876 0.010213 -0.000608 0.001214 ATOM 589 N ILE 33 9.687 13.312 8.990 1.00 2.17 ANISO 0.024387 0.020540 0.038384 -0.003944 0.010669 -0.001845 ATOM 590 H0 ILE 33 10.353 12.563 9.107 1.00 2.29 ATOM 591 CA ILE 33 10.177 14.644 8.669 1.00 2.15 ANISO 0.026842 0.020699 0.035136 -0.002542 0.010441 -0.002114 ATOM 592 HA ILE 33 9.339 15.238 8.285 1.00 2.65 ATOM 593 CB ILE 33 10.748 15.354 9.917 1.00 2.68 ANISO 0.044798 0.020015 0.038387 -0.004407 0.006535 -0.005015 ATOM 594 HB ILE 33 11.038 16.373 9.618 1.00 3.53 ATOM 595 CG1 ILE 33 11.995 14.655 10.483 1.00 3.09 ANISO 0.048653 0.030687 0.039592 -0.000868 -0.002994 -0.007222 ATOM 596 HG1AILE 33 11.697 13.673 10.874 1.00 3.74 ATOM 597 HG1BILE 33 12.704 14.487 9.662 1.00 3.74 ATOM 598 CG2 ILE 33 9.653 15.484 10.971 1.00 3.58 ANISO 0.068036 0.032247 0.037304 -0.008357 0.016331 0.006657 ATOM 599 HG2AILE 33 8.773 15.984 10.530 1.00 5.23 ATOM 600 HG2BILE 33 10.016 16.060 11.823 1.00 5.23 ATOM 601 HG2CILE 33 9.351 14.474 11.309 1.00 5.23 ATOM 602 CD1 ILE 33 12.687 15.434 11.582 1.00 4.34 ANISO 0.074486 0.041774 0.050668 -0.000292 -0.015045 -0.019408 ATOM 603 HD1AILE 33 13.565 14.856 11.939 1.00 5.78 ATOM 604 HD1BILE 33 12.000 15.589 12.423 1.00 5.78 ATOM 605 HD1CILE 33 13.031 16.401 11.198 1.00 5.78 ATOM 606 C ILE 33 11.237 14.530 7.573 1.00 2.19 ANISO 0.023836 0.027164 0.033309 -0.003516 0.008623 -0.003946 ATOM 607 O ILE 33 11.859 13.487 7.372 1.00 2.83 ANISO 0.037080 0.030515 0.041276 -0.000300 0.016517 0.002111 ATOM 608 N ILE 34 11.451 15.669 6.903 1.00 2.64 ANISO 0.024488 0.031815 0.045263 0.003744 0.012153 -0.001192 ATOM 609 H0 ILE 34 10.849 16.457 7.099 1.00 3.11 ATOM 610 CA ILE 34 12.503 15.832 5.909 1.00 2.55 ANISO 0.022096 0.039222 0.036843 0.004283 0.006632 -0.003053 ATOM 611 HA ILE 34 13.003 14.865 5.741 1.00 2.99 ATOM 612 CB ILE 34 11.995 16.429 4.581 0.77 2.61 ANISO 0.023483 0.042385 0.034326 -0.002925 0.000601 -0.004532 ATOM 613 HB ILE 34 11.554 17.414 4.772 0.77 1.72 ATOM 614 CG1 ILE 34 10.914 15.509 3.992 0.77 3.93 ANISO 0.030029 0.055284 0.065821 -0.024918 -0.009588 -0.001755 ATOM 615 HG1AILE 34 11.380 14.572 3.656 0.77 2.45 ATOM 616 HG1BILE 34 10.171 15.282 4.745 0.77 2.45 ATOM 617 CG2 ILE 34 13.166 16.588 3.598 0.77 4.38 ANISO 0.036511 0.105665 0.026349 0.002893 0.003668 -0.012809 ATOM 618 HG2AILE 34 13.929 17.246 4.050 0.77 2.71 ATOM 619 HG2BILE 34 12.806 17.043 2.664 0.77 2.71 ATOM 620 HG2CILE 34 13.610 15.610 3.386 0.77 2.71 ATOM 621 CD1 ILE 34 10.212 16.140 2.776 0.77 4.90 ANISO 0.035855 0.107720 0.044924 -0.040846 -0.012174 0.012600 ATOM 622 HD1AILE 34 9.441 15.442 2.418 0.77 2.84 ATOM 623 HD1BILE 34 10.940 16.331 1.990 0.77 2.84 ATOM 624 HD1CILE 34 9.738 17.077 3.094 0.77 2.84 ATOM 625 CB ILE 34 11.980 16.038 4.579 0.23 3.02 ATOM 626 HB ILE 34 11.494 16.994 4.508 0.23 3.07 ATOM 627 CG1 ILE 34 10.620 15.070 4.218 0.23 4.16 ATOM 628 HG1AILE 34 9.862 15.264 4.979 0.23 3.75 ATOM 629 HG1BILE 34 10.220 15.418 3.251 0.23 3.75 ATOM 630 CG2 ILE 34 12.911 15.823 3.426 0.23 4.01 ATOM 631 HG2AILE 34 12.396 16.085 2.453 0.23 3.50 ATOM 632 HG2BILE 34 13.318 14.858 3.382 0.23 3.50 ATOM 633 HG2CILE 34 13.692 16.602 3.581 0.23 3.50 ATOM 634 CD1 ILE 34 10.829 13.595 4.165 0.23 5.30 ATOM 635 HD1AILE 34 9.906 13.064 4.009 0.23 5.80 ATOM 636 HD1BILE 34 11.357 13.237 5.051 0.23 5.80 ATOM 637 HD1CILE 34 11.514 13.361 3.268 0.23 5.80 ATOM 638 C ILE 34 13.501 16.825 6.475 1.00 2.65 ANISO 0.022990 0.033142 0.045895 0.009244 0.003401 -0.002179 ATOM 639 O ILE 34 13.105 17.920 6.916 1.00 3.61 ANISO 0.030766 0.037894 0.070106 -0.001199 -0.000973 0.001326 ATOM 640 N ILE 35 14.785 16.473 6.453 1.00 2.93 ANISO 0.021706 0.035971 0.055109 0.007231 0.005309 -0.003276 ATOM 641 H0 ILE 35 15.034 15.547 6.134 1.00 3.74 ATOM 642 CA ILE 35 15.845 17.379 6.893 1.00 3.10 ANISO 0.026234 0.046215 0.046799 0.008122 0.002237 -0.007454 ATOM 643 HA ILE 35 15.398 18.361 7.088 1.00 3.18 ATOM 644 CB ILE 35 16.546 16.888 8.172 1.00 4.21 ANISO 0.036822 0.070852 0.054285 0.018710 -0.006398 -0.018665 ATOM 645 HB ILE 35 17.323 17.620 8.424 1.00 3.06 ATOM 646 CG1 ILE 35 17.231 15.534 7.988 1.00 5.00 ANISO 0.042024 0.067877 0.082398 0.038924 -0.015162 -0.013345 ATOM 647 HG1AILE 35 16.458 14.756 7.874 1.00 3.21 ATOM 648 HG1BILE 35 17.812 15.555 7.051 1.00 3.21 ATOM 649 CG2 ILE 35 15.533 16.869 9.297 1.00 6.48 ANISO 0.064806 0.137206 0.047323 0.015872 0.001574 -0.030877 ATOM 650 HG2AILE 35 15.090 17.883 9.424 1.00 4.93 ATOM 651 HG2BILE 35 16.027 16.593 10.249 1.00 4.93 ATOM 652 HG2CILE 35 14.728 16.157 9.089 1.00 4.93 ATOM 653 CD1 ILE 35 18.146 15.169 9.158 1.00 7.55 ANISO 0.053946 0.116281 0.120032 0.073078 -0.039793 -0.034230 ATOM 654 HD1AILE 35 18.616 14.183 8.938 1.00 4.12 ATOM 655 HD1BILE 35 17.570 15.102 10.070 1.00 4.12 ATOM 656 HD1CILE 35 18.936 15.922 9.243 1.00 4.12 ATOM 657 C ILE 35 16.856 17.521 5.754 1.00 3.15 ANISO 0.022963 0.040053 0.058005 0.012225 0.004731 -0.004716 ATOM 658 O ILE 35 17.022 16.624 4.922 1.00 3.75 ANISO 0.030526 0.046034 0.067630 0.005553 0.012256 -0.007243 ATOM 659 N PRO 36 17.587 18.631 5.732 1.00 3.51 ANISO 0.028100 0.039702 0.067134 0.015297 0.005902 -0.005894 ATOM 660 CA PRO 36 18.588 18.860 4.693 1.00 4.45 ANISO 0.029211 0.077874 0.063899 0.035303 0.003562 -0.005829 ATOM 661 HA PRO 36 18.159 18.478 3.737 1.00 4.79 ATOM 662 CB PRO 36 18.733 20.400 4.577 0.68 4.91 ANISO 0.035863 0.077601 0.075550 0.044531 -0.005155 -0.013885 ATOM 663 HB1 PRO 36 19.738 20.658 4.302 0.68 2.90 ATOM 664 HB2 PRO 36 18.002 20.789 3.881 0.68 2.90 ATOM 665 CG PRO 36 18.421 20.810 6.004 0.68 4.77 ANISO 0.050477 0.047503 0.085329 0.018605 -0.021062 -0.023347 ATOM 666 HG1 PRO 36 18.095 21.869 6.021 0.68 4.08 ATOM 667 HG2 PRO 36 19.297 20.707 6.654 0.68 4.08 ATOM 668 CB PRO 36 19.024 20.323 4.855 0.32 7.75 ANISO 0.043286 0.075985 0.178846 0.047190 0.039839 -0.009235 ATOM 669 HB1 PRO 36 20.149 20.288 5.222 0.32 2.86 ATOM 670 HB2 PRO 36 19.054 20.849 3.925 0.32 2.86 ATOM 671 CG PRO 36 18.178 20.896 5.923 0.32 7.36 ANISO 0.104056 0.045279 0.133690 -0.007028 0.048283 -0.031682 ATOM 672 HG1 PRO 36 18.811 21.350 6.701 0.32 7.66 ATOM 673 HG2 PRO 36 17.615 21.710 5.435 0.32 7.66 ATOM 674 CD PRO 36 17.287 19.897 6.479 1.00 4.67 ANISO 0.046586 0.041874 0.091326 0.004095 0.008517 -0.010797 ATOM 675 HD1 PRO 36 17.322 19.746 7.571 1.00 3.61 ATOM 676 HD2 PRO 36 16.298 20.308 6.210 1.00 3.61 ATOM 677 C PRO 36 19.880 18.051 4.931 1.00 4.22 ANISO 0.026303 0.058983 0.077016 0.016597 0.004545 -0.009619 ATOM 678 O PRO 36 20.613 17.835 3.984 1.00 6.45 ANISO 0.042572 0.099529 0.105937 0.007321 0.026994 -0.004677 ATOM 679 N GLY 37 20.161 17.796 6.201 1.00 4.49 ANISO 0.028858 0.058739 0.085195 0.024303 -0.008494 -0.009179 ATOM 680 H0 GLY 37 19.542 18.109 6.920 1.00 5.95 ATOM 681 CAG GLY 37 21.334 17.052 6.591 1.00 6.18 ANISO 0.031482 0.058871 0.147396 0.035305 -0.028991 -0.015012 ATOM 682 HA1 GLY 37 21.590 17.274 7.626 1.00 2.54 ATOM 683 HA2 GLY 37 22.187 17.340 5.950 1.00 2.54 ATOM 684 C GLY 37 21.086 15.519 6.410 1.00 5.05 ANISO 0.023585 0.059890 0.110902 0.027466 -0.013923 -0.012001 ATOM 685 O GLY 37 20.085 15.103 5.847 1.00 6.58 ANISO 0.039758 0.066829 0.146408 0.020216 -0.038567 -0.010137 ATOM 686 N ALA 38 22.011 14.749 6.965 1.00 4.35 ANISO 0.027819 0.055304 0.084076 0.024186 -0.008638 -0.011174 ATOM 687 H0 ALA 38 22.763 15.180 7.486 1.00 4.86 ATOM 688 CA ALA 38 21.994 13.320 6.839 1.00 4.87 ANISO 0.035925 0.056801 0.094508 0.016199 -0.011556 -0.010762 ATOM 689 HA ALA 38 21.130 13.034 6.212 1.00 6.46 ATOM 690 CB ALA 38 23.256 12.787 6.111 1.00 6.71 ANISO 0.059502 0.085250 0.113431 -0.001577 0.005575 -0.003057 ATOM 691 HB1 ALA 38 23.321 13.233 5.113 1.00 4.54 ATOM 692 HB2 ALA 38 23.205 11.693 6.027 1.00 4.54 ATOM 693 HB3 ALA 38 24.148 13.066 6.697 1.00 4.54 ATOM 694 C ALA 38 21.839 12.614 8.203 1.00 5.20 ANISO 0.032775 0.054270 0.112974 0.032263 -0.006601 -0.010853 ATOM 695 O ALA 38 21.798 11.387 8.235 1.00 7.54 ANISO 0.084093 0.054295 0.151522 0.036678 -0.012216 -0.008939 ATOM 696 N THR 39 21.793 13.375 9.296 1.00 4.80 ANISO 0.023235 0.068811 0.092702 0.041805 -0.002195 -0.006624 ATOM 697 H0 THR 39 21.686 14.376 9.197 1.00 5.16 ATOM 698 CA THR 39 21.855 12.902 10.716 1.00 5.05 ANISO 0.025683 0.079283 0.089193 0.036959 -0.005897 -0.016527 ATOM 699 HA THR 39 21.908 11.708 10.444 1.00 5.35 ATOM 700 CB THR 39 23.095 13.234 11.278 0.57 5.72 ANISO 0.017850 0.120513 0.081539 0.047913 -0.005259 -0.010259 ATOM 701 OG1 THR 39 24.243 13.054 10.384 0.57 5.37 ANISO 0.024484 0.082263 0.099853 0.052930 0.004522 -0.000580 ATOM 702 CG2 THR 39 23.353 12.199 12.377 0.57 7.47 ANISO 0.044299 0.166876 0.076072 0.066563 -0.002716 -0.001060 ATOM 703 CB THR 39 22.908 13.679 11.542 0.43 3.94 ANISO 0.025986 0.063007 0.062434 0.010899 0.009609 0.000949 ATOM 704 HB THR 39 22.608 14.742 11.713 0.43 2.04 ATOM 705 OG1 THR 39 24.175 13.589 10.848 0.43 3.56 ANISO 0.014633 0.047585 0.074817 0.025244 0.001861 -0.001955 ATOM 706 CG2 THR 39 23.171 12.975 12.920 0.43 5.31 ANISO 0.039967 0.111148 0.053189 0.023686 0.001699 -0.008799 ATOM 707 HG2ATHR 39 23.942 13.529 13.491 0.43 3.39 ATOM 708 HG2BTHR 39 23.512 11.960 12.734 0.43 3.39 ATOM 709 HG2CTHR 39 22.238 12.966 13.498 0.43 3.39 ATOM 710 C THR 39 20.551 13.030 11.333 1.00 4.90 ANISO 0.027620 0.072008 0.088845 0.037402 -0.004799 -0.013410 ATOM 711 O THR 39 20.255 14.143 11.770 1.00 6.97 ANISO 0.060455 0.069633 0.137881 0.017309 -0.005961 -0.028915 ATOM 712 N CYS 40 19.751 11.985 11.482 1.00 4.09 ANISO 0.022911 0.060920 0.073515 0.021915 0.006684 -0.006310 ATOM 713 H0 CYS 40 20.036 11.084 11.122 1.00 5.53 ATOM 714 CA CYS 40 18.459 12.121 12.137 1.00 3.59 ANISO 0.023053 0.055321 0.059761 0.011350 0.001623 -0.005137 ATOM 715 HA CYS 40 17.961 13.036 11.788 1.00 4.06 ATOM 716 CB CYS 40 17.591 10.917 11.821 1.00 3.69 ANISO 0.023833 0.059378 0.058833 0.010703 0.004464 -0.008957 ATOM 717 HB1 CYS 40 16.679 10.951 12.433 1.00 1.97 ATOM 718 HB2 CYS 40 18.138 9.995 12.100 1.00 1.97 ATOM 719 SG CYS 40 17.123 10.808 10.067 1.00 4.03 ANISO 0.029508 0.070879 0.054474 0.000657 0.014501 -0.006029 ATOM 720 C CYS 40 18.660 12.202 13.664 1.00 3.78 ANISO 0.024411 0.058039 0.062847 0.003310 -0.005217 -0.001343 ATOM 721 O CYS 40 19.514 11.519 14.228 1.00 4.84 ANISO 0.032584 0.084366 0.069263 -0.000495 -0.010340 0.013798 ATOM 722 N PRO 41 17.844 13.009 14.337 1.00 4.45 ANISO 0.027650 0.061646 0.081672 -0.007364 -0.006649 0.001202 ATOM 723 CA PRO 41 17.975 13.138 15.781 1.00 4.98 ANISO 0.037433 0.071306 0.082940 -0.017119 -0.006785 -0.007987 ATOM 724 HA PRO 41 19.033 13.253 16.063 1.00 6.42 ATOM 725 CB PRO 41 17.211 14.446 16.073 1.00 6.50 ANISO 0.070158 0.062082 0.117841 -0.031578 0.001807 -0.012506 ATOM 726 HB1 PRO 41 16.801 14.470 17.077 1.00 5.35 ATOM 727 HB2 PRO 41 17.867 15.329 15.924 1.00 5.35 ATOM 728 CG PRO 41 16.101 14.422 15.027 1.00 5.92 ANISO 0.052679 0.054897 0.119934 -0.009607 0.009340 0.009521 ATOM 729 HG1 PRO 41 15.717 15.445 14.844 1.00 4.34 ATOM 730 HG2 PRO 41 15.284 13.782 15.340 1.00 4.34 ATOM 731 CD PRO 41 16.798 13.876 13.764 1.00 5.05 ANISO 0.039907 0.060858 0.093403 0.005778 -0.002814 0.006147 ATOM 732 HD1 PRO 41 16.089 13.311 13.150 1.00 3.01 ATOM 733 HD2 PRO 41 17.231 14.690 13.166 1.00 3.01 ATOM 734 C PRO 41 17.348 11.966 16.533 1.00 4.08 ANISO 0.028492 0.065851 0.062456 -0.021379 -0.006215 0.002731 ATOM 735 O PRO 41 16.629 11.152 15.968 1.00 3.93 ANISO 0.030007 0.067383 0.053756 -0.019005 -0.002950 -0.000105 ATOM 736 N GLY 42 17.645 11.920 17.851 1.00 4.87 ANISO 0.042896 0.073459 0.070792 -0.025739 -0.023224 0.011908 ATOM 737 H0 GLY 42 18.146 12.687 18.270 1.00 6.02 ATOM 738 CAG GLY 42 17.224 10.776 18.685 1.00 4.99 ANISO 0.051276 0.070226 0.070331 -0.018352 -0.026277 0.027173 ATOM 739 HA1 GLY 42 17.679 10.908 19.669 1.00 3.92 ATOM 740 HA2 GLY 42 17.664 9.872 18.232 1.00 3.92 ATOM 741 C GLY 42 15.747 10.580 18.828 1.00 4.10 ANISO 0.056128 0.051538 0.049992 -0.010948 -0.019508 0.019103 ATOM 742 O GLY 42 15.328 9.486 19.192 1.00 6.25 ANISO 0.071171 0.045063 0.124291 -0.002200 -0.035921 0.016212 ATOM 743 N ASP 43 14.947 11.623 18.618 1.00 3.24 ANISO 0.043928 0.046416 0.034434 -0.009418 -0.006816 0.013663 ATOM 744 H0 ASP 43 15.354 12.524 18.411 1.00 4.42 ATOM 745 CA ASP 43 13.489 11.531 18.673 1.00 3.10 ANISO 0.044873 0.044649 0.029795 -0.006045 0.000640 0.014294 ATOM 746 HA ASP 43 13.167 10.755 19.409 1.00 3.93 ATOM 747 CB ASP 43 13.033 13.039 19.155 0.25 3.91 ATOM 748 HB1 ASP 43 12.009 13.063 19.195 0.25 4.25 ATOM 749 HB2 ASP 43 13.446 13.105 20.202 0.25 4.25 ATOM 750 CG ASP 43 13.529 14.111 18.535 0.25 3.59 ATOM 751 OD1 ASP 43 14.419 14.375 17.586 0.25 4.11 ATOM 752 OD2 ASP 43 13.006 15.408 18.900 0.25 5.08 ANISO 0.065267 0.055264 0.074904 -0.002206 0.030174 0.017782 ATOM 753 CB ASP 43 12.801 12.630 19.423 0.75 2.69 ANISO 0.039727 0.038531 0.025277 -0.005739 0.008182 0.002218 ATOM 754 HB1 ASP 43 11.722 12.462 19.411 0.75 3.15 ATOM 755 HB2 ASP 43 13.136 12.616 20.471 0.75 3.15 ATOM 756 CG ASP 43 13.078 14.010 18.868 0.75 2.60 ANISO 0.030082 0.032571 0.037240 -0.008760 0.005536 0.000500 ATOM 757 OD1 ASP 43 14.065 14.169 18.083 0.75 3.51 ANISO 0.046809 0.034975 0.053361 -0.001452 0.020789 -0.001634 ATOM 758 OD2 ASP 43 12.309 14.942 19.211 0.75 3.38 ANISO 0.039848 0.036489 0.053600 -0.009008 0.011161 0.006473 ATOM 759 C ASP 43 12.868 11.268 17.289 1.00 2.37 ANISO 0.032792 0.031329 0.026872 -0.002708 0.006955 0.004767 ATOM 760 O ASP 43 11.639 11.131 17.212 1.00 2.80 ANISO 0.032568 0.041669 0.033621 -0.002072 0.013714 0.000213 ATOM 761 N TYR 44 13.698 11.167 16.266 1.00 2.14 ANISO 0.024560 0.030727 0.027089 -0.005205 0.004039 0.000534 ATOM 762 H0 TYR 44 14.667 11.409 16.397 1.00 2.58 ATOM 763 CA TYR 44 13.270 10.747 14.927 1.00 1.94 ANISO 0.019968 0.026345 0.028189 -0.004750 0.004677 -0.001969 ATOM 764 HA TYR 44 12.284 10.259 15.037 1.00 2.03 ATOM 765 CB TYR 44 13.132 11.882 13.933 1.00 2.37 ANISO 0.027528 0.033853 0.029695 0.000471 0.008007 -0.002528 ATOM 766 HB1 TYR 44 14.063 12.465 13.920 1.00 2.12 ATOM 767 HB2 TYR 44 12.989 11.462 12.923 1.00 2.12 ATOM 768 CG TYR 44 11.980 12.796 14.250 1.00 2.20 ANISO 0.025646 0.027839 0.031156 0.000122 0.001835 -0.003702 ATOM 769 CD1 TYR 44 12.083 13.836 15.178 1.00 2.57 ANISO 0.029761 0.029964 0.039181 -0.005730 -0.003077 -0.002674 ATOM 770 HD1 TYR 44 13.042 14.019 15.686 1.00 2.38 ATOM 771 CE1 TYR 44 10.985 14.645 15.461 1.00 2.69 ANISO 0.033019 0.029300 0.041008 -0.007845 -0.002673 -0.001212 ATOM 772 HE1 TYR 44 11.070 15.459 16.194 1.00 2.54 ATOM 773 CZ TYR 44 9.771 14.411 14.817 1.00 2.26 ANISO 0.030423 0.024791 0.031844 0.000342 0.000353 -0.001043 ATOM 774 CE2 TYR 44 9.647 13.377 13.884 1.00 2.39 ANISO 0.027336 0.033501 0.031222 -0.004129 -0.001611 -0.001445 ATOM 775 HE2 TYR 44 8.693 13.188 13.385 1.00 2.15 ATOM 776 CD2 TYR 44 10.765 12.585 13.608 1.00 2.32 ANISO 0.027870 0.032968 0.028360 -0.005483 0.001158 -0.002900 ATOM 777 HD2 TYR 44 10.680 11.783 12.864 1.00 2.28 ATOM 778 OH TYR 44 8.716 15.222 15.105 1.00 2.75 ANISO 0.033569 0.031400 0.040785 -0.005109 -0.000338 0.002449 ATOM 779 HH TYR 44 7.947 14.950 14.595 1.00 2.60 ATOM 780 C TYR 44 14.260 9.663 14.456 1.00 2.21 ANISO 0.018317 0.030220 0.036529 -0.007242 0.008423 -0.002520 ATOM 781 O TYR 44 14.928 9.817 13.421 1.00 2.70 ANISO 0.028519 0.039020 0.036476 -0.006827 0.014491 -0.003662 ATOM 782 N ALA 45 14.354 8.613 15.274 1.00 2.22 ANISO 0.018213 0.031020 0.036292 -0.007644 0.004531 0.001610 ATOM 783 H0 ALA 45 13.627 8.473 15.965 1.00 2.73 ATOM 784 CA ALA 45 15.409 7.633 15.170 1.00 2.50 ANISO 0.018054 0.037341 0.040602 -0.012047 -0.000525 0.004152 ATOM 785 HA ALA 45 16.336 8.171 14.885 1.00 2.96 ATOM 786 CB ALA 45 15.634 7.048 16.577 1.00 3.37 ANISO 0.035027 0.052651 0.041862 -0.009656 -0.005391 0.016019 ATOM 787 HB1 ALA 45 15.813 7.859 17.299 1.00 2.76 ATOM 788 HB2 ALA 45 16.503 6.375 16.561 1.00 2.76 ATOM 789 HB3 ALA 45 14.739 6.484 16.877 1.00 2.76 ATOM 790 C ALA 45 15.177 6.504 14.200 1.00 2.47 ANISO 0.017494 0.037566 0.039826 -0.011750 -0.001152 0.006546 ATOM 791 O ALA 45 16.090 5.695 13.990 1.00 3.44 ANISO 0.019465 0.047213 0.065752 -0.026224 -0.006343 0.011448 ATOM 792 N ASN 46 13.970 6.434 13.644 1.00 2.36 ANISO 0.016310 0.031760 0.042848 -0.010969 -0.000600 0.005132 ATOM 793 H0 ASN 46 13.314 7.180 13.839 1.00 2.90 ATOM 794 CA ASN 46 13.543 5.352 12.780 1.00 2.46 ANISO 0.017663 0.032362 0.044694 -0.010553 -0.004580 0.004017 ATOM 795 HA ASN 46 14.342 4.598 12.771 1.00 3.06 ATOM 796 CB ASN 46 12.287 4.684 13.381 1.00 3.17 ANISO 0.021764 0.040204 0.059927 0.001365 -0.006078 -0.000934 ATOM 797 HB1 ASN 46 11.492 5.436 13.497 1.00 1.72 ATOM 798 HB2 ASN 46 11.917 3.910 12.693 1.00 1.72 ATOM 799 CG ASN 46 12.544 4.066 14.700 0.57 3.10 ANISO 0.032394 0.034345 0.052579 -0.003449 0.000936 0.002583 ATOM 800 OD1 ASN 46 11.882 4.460 15.652 0.57 4.33 ANISO 0.045315 0.073496 0.047599 -0.001865 0.004542 0.008882 ATOM 801 ND2 ASN 46 13.539 3.169 14.816 0.57 4.33 ANISO 0.055282 0.056262 0.055006 0.006182 0.002600 0.024305 ATOM 802 HD2AASN 46 13.757 2.782 15.728 0.57 3.91 ATOM 803 HD2BASN 46 14.049 2.878 14.008 0.57 3.91 ATOM 804 CG ASN 46 12.527 4.414 14.862 0.43 4.45 ANISO 0.027434 0.092551 0.051161 -0.021767 -0.006367 0.001063 ATOM 805 OD1 ASN 46 11.993 5.003 15.799 0.43 6.88 ANISO 0.060976 0.134184 0.069332 -0.031250 0.016057 -0.014176 ATOM 806 ND2 ASN 46 13.347 3.409 15.132 0.43 6.94 ANISO 0.052058 0.153195 0.061730 0.022966 0.002832 0.046863 ATOM 807 HD2AASN 46 13.509 3.100 16.078 0.43 4.41 ATOM 808 HD2BASN 46 13.790 2.896 14.365 0.43 4.41 ATOM 809 C ASN 46 13.311 5.802 11.332 1.00 2.64 ANISO 0.020589 0.034186 0.046825 -0.011164 -0.004300 0.003027 ATOM 810 O ASN 46 13.723 6.925 10.973 1.00 2.76 ANISO 0.028486 0.037965 0.039736 -0.011582 0.004484 0.000527 ATOM 811 OXT ASN 46 12.716 4.986 10.593 1.00 3.53 ANISO 0.040197 0.039707 0.055902 -0.010865 -0.014517 -0.005067 ATOM 812 CA SER 22 6.040 13.477 -2.629 0.21 2.34 ATOM 813 HA SER 22 6.848 13.264 -3.212 0.21 3.18 ATOM 814 CB SER 22 5.676 14.963 -2.718 0.21 3.34 ATOM 815 OG SER 22 4.761 15.241 -1.640 0.21 2.14 ATOM 816 C SER 22 6.390 13.127 -1.184 0.21 3.28 ATOM 817 O SER 22 5.471 12.921 -0.358 0.21 2.64 ATOM 818 CA SER 22 6.091 13.417 -2.643 0.22 3.19 ATOM 819 HA SER 22 7.130 13.208 -3.128 0.22 3.18 ATOM 820 CB SER 22 5.685 14.903 -2.576 0.22 3.12 ATOM 821 OG SER 22 6.818 15.722 -2.297 0.22 4.46 ATOM 822 C SER 22 6.382 13.120 -1.166 0.22 4.73 ATOM 823 O SER 22 5.669 12.613 -0.303 0.22 2.57 ATOM 824 CB ILE 25 2.215 14.578 0.517 0.21 2.44 ATOM 825 HB ILE 25 2.834 13.998 -0.145 0.21 3.18 ATOM 826 CG1 ILE 25 1.865 15.845 -0.223 0.21 3.01 ATOM 827 HG1AILE 25 2.691 16.411 -0.444 0.21 3.18 ATOM 828 HG1BILE 25 1.331 15.539 -1.176 0.21 3.18 ATOM 829 CG2 ILE 25 0.960 13.711 0.715 0.21 2.10 ATOM 830 HG2AILE 25 1.241 12.766 1.238 0.21 3.18 ATOM 831 HG2BILE 25 0.511 13.478 -0.240 0.21 3.18 ATOM 832 HG2CILE 25 0.229 14.244 1.359 0.21 3.18 ATOM 833 CD1 ILE 25 0.814 16.742 0.559 0.21 2.59 ATOM 834 HD1AILE 25 0.526 17.581 -0.100 0.21 3.18 ATOM 835 HD1BILE 25 1.280 17.097 1.455 0.21 3.18 ATOM 836 HD1CILE 25 -0.095 16.152 0.791 0.21 3.18 ATOM 837 CB ILE 25 2.138 14.626 0.562 0.22 3.01 ATOM 838 HB ILE 25 2.704 14.107 -0.168 0.22 3.18 ATOM 839 CG1 ILE 25 1.678 15.953 -0.041 0.22 2.93 ATOM 840 HG1AILE 25 0.931 16.408 0.608 0.22 3.18 ATOM 841 HG1BILE 25 2.560 16.616 -0.049 0.22 3.18 ATOM 842 CG2 ILE 25 0.922 13.727 0.845 0.22 3.05 ATOM 843 HG2AILE 25 1.241 12.828 1.359 0.22 3.18 ATOM 844 HG2BILE 25 0.424 13.503 -0.089 0.22 3.18 ATOM 845 HG2CILE 25 0.206 14.285 1.512 0.22 3.18 ATOM 846 CD1 ILE 25 1.179 15.897 -1.445 0.22 3.33 ATOM 847 O ETH 48 14.721 1.818 12.845 0.65 6.68 ATOM 848 C1 ETH 48 15.475 0.811 13.445 0.65 9.71 ATOM 849 C2 ETH 48 16.131 -0.312 12.796 0.65 13.13 ATOM 850 O ETH 48 15.136 2.159 12.423 0.35 3.55 ATOM 851 C1 ETH 48 15.873 0.929 12.513 0.35 5.45 ATOM 852 C2 ETH 48 14.893 -0.128 13.047 0.35 6.70 ATOM 853 OW HOH 50 8.997 -0.377 5.263 1.00 4.12 ANISO 0.038082 0.050443 0.069969 -0.000621 -0.001110 0.008836 ATOM 854 H1 HOH 50 9.178 -0.750 5.967 1.00 5.46 ATOM 855 H2 HOH 50 8.141 -0.423 4.997 1.00 5.46 ATOM 856 OW HOH 51 6.310 -0.508 4.857 1.00 2.90 ANISO 0.037954 0.029360 0.044370 -0.014733 -0.009495 0.001234 ATOM 857 H1 HOH 51 6.075 -1.011 4.352 1.00 3.90 ATOM 858 H2 HOH 51 5.919 0.254 4.919 1.00 3.90 ATOM 859 OW HOH 52 6.927 12.836 -5.931 1.00 2.94 ANISO 0.036073 0.031958 0.044970 0.003958 0.003405 -0.008562 ATOM 860 H1 HOH 52 6.535 13.363 -6.648 1.00 3.90 ATOM 861 H2 HOH 52 6.508 12.163 -5.859 1.00 3.90 ATOM 862 OW HOH 53 9.160 12.467 17.551 1.00 2.94 ANISO 0.034756 0.044325 0.033961 0.007784 0.002978 -0.006185 ATOM 863 H1 HOH 53 8.477 12.771 17.115 1.00 3.90 ATOM 864 H2 HOH 53 9.882 12.372 17.105 1.00 3.90 ATOM 865 OW WAT 60 6.294 1.657 15.966 1.00 3.15 ANISO 0.036233 0.040892 0.044078 -0.003010 0.008818 0.007306 ATOM 866 OW WAT 61 9.596 -0.573 7.953 1.00 3.87 ANISO 0.040494 0.053838 0.054599 0.015217 -0.006918 0.003076 ATOM 867 OW WAT 62 12.327 5.319 3.741 1.00 4.34 ANISO 0.049164 0.073330 0.044443 -0.006301 -0.000412 -0.028497 ATOM 868 OW WAT 63 9.709 14.281 -2.789 1.00 4.69 ANISO 0.074004 0.047655 0.058560 -0.005397 0.035406 -0.000638 ATOM 869 OW WAT 64 8.936 2.096 -5.307 1.00 3.14 ANISO 0.043053 0.034481 0.043078 0.005502 -0.006405 0.007883 ATOM 870 OW WAT 65 8.635 2.810 -0.693 1.00 3.15 ANISO 0.040237 0.037552 0.043231 -0.005697 0.011828 0.001562 ATOM 871 OW WAT 66 9.672 0.334 -1.278 0.87 3.91 ANISO 0.046462 0.043514 0.060334 -0.006896 0.001497 0.003725 ATOM 872 OW WAT 67 6.441 14.238 14.057 0.90 3.16 ANISO 0.039695 0.044772 0.037239 -0.009046 -0.003727 0.007569 ATOM 873 OW WAT 68 7.876 16.365 17.536 0.91 5.39 ANISO 0.107147 0.051043 0.049199 -0.009178 0.019036 -0.007265 ATOM 874 OW WAT 69 9.673 18.335 18.346 1.00 4.26 ANISO 0.070348 0.039118 0.054359 0.005863 0.003418 0.019340 ATOM 875 OW WAT 70 14.206 1.518 17.178 0.63 14.53 ANISO 0.180116 0.185621 0.192990 0.101839 -0.068114 0.000555 ATOM 876 OW WAT 71 20.091 18.590 1.418 0.96 19.40 ANISO 0.294196 0.327861 0.124103 0.038641 0.068592 0.058701 ATOM 877 OW WAT 75 16.158 7.972 11.709 0.81 3.99 ANISO 0.040548 0.047742 0.065190 -0.018449 0.025264 -0.011792 ATOM 878 OW WAT 77 13.300 2.352 10.350 0.72 5.59 ANISO 0.082595 0.046990 0.085589 -0.017946 -0.044677 0.007013 ATOM 879 OW WAT 77 12.723 2.138 10.877 0.29 4.68 ATOM 880 OW WAT 79 12.257 17.449 18.178 0.83 11.11 ANISO 0.107191 0.088679 0.231562 0.048089 0.083624 0.048585 ATOM 881 OW WAT 79 12.521 17.836 17.219 0.23 9.42 ATOM 882 OW WAT 80 12.157 -0.154 -0.240 0.33 5.27 ANISO 0.075676 0.062098 0.064891 -0.013851 -0.005086 0.026270 ATOM 883 OW WAT 81 -0.121 2.079 5.985 0.53 5.09 ANISO 0.100411 0.038202 0.057214 -0.013326 -0.025153 0.003586 ATOM 884 OW WAT 83 12.582 5.463 18.125 0.32 7.10 ANISO 0.125444 0.084788 0.062769 -0.018469 -0.003048 0.039255 ATOM 885 OW WAT 84 10.158 5.872 -3.409 0.73 5.04 ANISO 0.093423 0.055249 0.045363 0.021124 -0.005643 -0.012045 ATOM 886 OW WAT 85 13.042 6.918 1.608 0.42 5.29 ANISO 0.085674 0.070991 0.046725 0.002813 0.007789 -0.015996 ATOM 887 OW WAT 85 12.914 7.754 2.533 0.34 4.52 ATOM 888 OW WAT 86 0.626 7.028 13.337 0.44 2.96 ATOM 889 OW WAT 86 0.996 6.358 12.981 0.23 5.34 ATOM 890 OW WAT 86 1.401 5.756 12.976 0.30 5.95 ATOM 891 OW WAT 89 13.203 8.085 19.837 0.48 8.64 ATOM 892 OW WAT 89 12.831 8.800 21.056 0.44 4.50 ATOM 893 OW WAT 91 21.296 9.587 13.535 0.60 4.19 ATOM 894 OW WAT 91 20.712 9.015 13.603 0.40 47.16 ATOM 895 OW WAT 92 15.289 11.256 -0.210 0.44 12.70 ATOM 896 OW WAT 95 19.491 13.800 18.970 0.73 10.09 ANISO 0.086203 0.106130 0.195803 -0.073345 -0.079630 0.009396 ATOM 897 OW WAT 98 11.004 6.674 -0.865 0.44 3.22 ATOM 898 OW WAT 100 15.160 1.570 3.610 0.19 6.71 ATOM 899 OW WAT 100 14.167 1.948 3.312 0.23 6.36 ATOM 900 OW WAT 101 11.646 8.626 0.210 0.48 7.71 ATOM 901 OW WAT 105 0.218 11.268 11.288 0.65 4.82 ATOM 902 OW WAT 105 0.450 12.822 10.852 0.32 4.88 ATOM 903 OW WAT 108 4.480 16.008 14.225 0.45 5.89 ATOM 904 OW WAT 110 16.385 9.520 3.437 0.63 8.73 ATOM 905 OW WAT 119 -1.168 9.143 12.753 0.42 4.87 ATOM 906 OW WAT 119 -0.644 9.628 13.083 0.46 12.28 ATOM 907 OW WAT 127 5.632 17.496 16.449 0.82 4.39 ATOM 908 OW WAT 127 5.851 17.460 15.680 0.13 4.52 ATOM 909 OW WAT 128 2.284 7.040 10.861 0.62 5.87 ANISO 0.088479 0.075844 0.061331 0.015797 0.019748 -0.035109 ATOM 910 OW WAT 128 1.885 6.553 10.322 0.31 4.72 ATOM 911 OW WAT 128 1.981 6.870 11.680 0.17 6.06 ATOM 912 OW WAT 129 12.308 15.590 -0.404 0.70 6.23 ATOM 913 OW WAT 129 11.139 15.372 20.777 0.23 5.10 ATOM 914 OW WAT 132 11.840 0.235 9.350 0.81 4.36 ANISO 0.049656 0.037970 0.079992 -0.001675 -0.000983 -0.006252 ATOM 915 OW WAT 132 10.514 0.690 10.088 0.25 4.20 ATOM 916 OW WAT 134 12.878 1.879 5.671 0.73 4.00 ANISO 0.041124 0.045280 0.067493 0.004617 -0.014826 0.004537 ATOM 917 OW WAT 137 12.497 8.146 17.405 0.65 2.96 ATOM 918 OW WAT 137 12.330 7.701 17.095 0.28 3.32 ATOM 919 OW WAT 138 21.590 7.153 9.677 0.37 15.46 ATOM 920 OW WAT 140 8.396 16.311 -1.257 0.87 3.83 ATOM 921 OW WAT 140 9.039 16.387 -0.861 0.35 6.13 ATOM 922 OW WAT 142 8.419 3.743 -3.252 0.99 4.31 ANISO 0.069496 0.058314 0.037953 -0.002486 -0.002828 0.010536 ATOM 923 OW WAT 142 9.012 3.904 -3.272 0.28 6.86 ATOM 924 OW WAT 143 14.419 2.986 7.708 0.74 7.00 ATOM 925 OW WAT 143 14.195 1.596 8.361 0.26 5.36 ATOM 926 OW WAT 143 14.591 3.509 6.907 0.23 8.59 ATOM 927 OW WAT 144 -0.067 -0.293 4.651 0.92 3.03 ATOM 928 OW WAT 145 10.558 4.250 0.515 0.53 4.08 ATOM 929 OW WAT 145 10.241 4.709 0.532 0.52 7.60 ATOM 930 OW WAT 146 22.094 16.285 9.643 0.94 6.21 ANISO 0.062449 0.087963 0.088542 0.006250 0.002857 0.013669 ATOM 931 OW WAT 146 21.691 16.156 10.220 0.33 7.90 ATOM 932 OW WAT 150 16.730 7.900 6.370 0.33 13.17 ATOM 933 OW WAT 156 14.885 4.388 4.012 0.40 7.35 ATOM 934 OW WAT 161 13.835 9.428 2.206 0.52 6.14 ATOM 935 OW WAT 182 0.498 4.208 4.384 0.38 3.46 ATOM 936 OW WAT 182 -0.054 4.309 4.215 0.41 14.25 ATOM 937 OW WAT 203 20.380 9.110 10.840 0.31 7.02 ATOM 938 OW WAT 203 20.980 9.683 10.636 0.38 5.18 ATOM 939 OW WAT 205 20.165 9.659 9.440 0.35 7.71 ATOM 940 OW WAT 210 16.353 7.054 20.040 0.43 9.95 ATOM 941 OW WAT 213 1.977 -0.999 11.118 0.23 6.08 ATOM 942 OW WAT 214 15.695 5.164 6.586 0.61 16.97 ATOM 943 OW WAT 215 14.155 5.292 19.921 0.45 12.27 ATOM 944 OW WAT 216 19.657 7.445 9.826 0.30 7.82 ATOM 945 OW WAT 217 16.568 7.893 8.811 0.19 5.54 ATOM 946 OW WAT 219 2.608 11.812 15.225 0.59 12.48 ATOM 947 OW WAT 221 18.887 9.602 2.422 0.15 7.21 ATOM 948 OW WAT 222 -2.075 5.745 10.012 0.25 7.69 ATOM 949 OW WAT 222 -2.479 6.659 9.462 0.21 7.47 ATOM 950 OW WAT 237 21.781 19.529 -2.522 0.23 8.51 ATOM 951 OW WAT 238 1.741 13.760 11.239 0.22 6.24 ATOM 952 OW WAT 239 1.891 13.118 12.658 0.40 5.93 ATOM 953 OW WAT 242 16.349 16.622 1.863 0.32 8.84 ATOM 954 OW WAT 244 15.056 13.202 1.531 0.60 7.42 ATOM 955 OW WAT 244 14.950 14.010 1.950 0.16 12.37 ATOM 956 OW WAT 246 16.120 13.520 -0.772 0.43 11.50 ATOM 957 OW WAT 247 24.369 8.941 5.611 0.33 9.36 ATOM 958 OW WAT 247 23.867 8.549 4.690 0.28 9.35 ATOM 959 OW WAT 248 21.564 9.528 6.093 0.19 3.69 ATOM 960 OW WAT 248 21.901 9.165 6.724 0.42 15.86 ATOM 961 OW WAT 250 19.490 5.610 5.460 0.32 9.62 ATOM 962 OW WAT 252 18.338 16.228 -2.550 0.54 8.11 ATOM 963 OW WAT 254 13.170 1.574 4.835 0.40 12.78 ATOM 964 OW WAT 262 5.735 15.899 9.411 0.65 26.18 ATOM 965 OW WAT 262 5.831 15.906 9.942 0.45 5.61 ATOM 966 OW WAT 262 5.107 15.713 10.346 0.09 4.68 ATOM 967 OW WAT 265 12.139 2.704 18.464 0.32 9.85 ATOM 968 OW WAT 269 14.407 -0.222 -1.983 0.22 6.24 ATOM 969 OW WAT 271 12.267 4.082 18.314 0.83 16.08 ATOM 970 OW WAT 288 20.815 10.901 3.621 0.28 8.20 ATOM 971 OW WAT 293 3.759 9.550 13.839 0.39 4.21 ANISO 0.075766 0.045447 0.040787 0.020097 -0.009191 -0.012604 ATOM 972 OW WAT 293 2.651 9.620 13.828 0.18 54.63 ATOM 973 OW WAT 296 -0.242 7.721 9.045 0.51 8.16 ANISO 0.122710 0.079490 0.111627 0.051268 -0.043864 -0.048312 ATOM 974 OW WAT 311 22.824 11.062 -0.756 0.41 14.05 ATOM 975 OW WAT 313 19.137 14.502 1.654 0.43 7.03 ATOM 976 OW WAT 316 14.350 17.340 0.110 0.32 13.22 ATOM 977 OW WAT 318 14.896 16.631 17.561 0.24 6.57 ATOM 978 OW WAT 318 14.475 16.628 16.780 0.37 6.24 ATOM 979 OW WAT 318 15.699 16.454 18.758 0.30 6.24 ATOM 980 OW WAT 321 3.134 16.434 10.242 0.48 7.28 ATOM 981 OW WAT 333 15.936 0.275 2.113 0.62 27.14 ATOM 982 OW WAT 334 13.356 3.990 0.014 0.43 13.26 ATOM 983 OW WAT 337 17.846 2.382 20.362 0.53 13.60 ATOM 984 OW WAT 339 19.084 5.961 19.164 0.81 31.56 ATOM 985 OW WAT 345 18.561 16.587 0.211 0.59 16.08 ATOM 986 OW WAT 353 15.584 1.685 19.198 0.34 10.40 ANISO 0.080957 0.273057 0.046097 0.008642 -0.007690 -0.048004 ATOM 987 OW WAT 370 2.775 14.871 10.549 0.34 7.01 ATOM 988 OW WAT 372 20.630 7.700 11.500 0.40 12.88 ATOM 989 OW WAT 381 19.991 2.945 1.130 0.53 24.38 ATOM 990 OW WAT 383 15.513 12.520 0.393 0.22 9.36 ATOM 991 OW WAT 384 11.011 0.321 -0.687 0.33 7.80 ATOM 992 OW WAT 385 -1.986 5.901 8.096 0.43 8.99