Browse entries in the PDBbind-CN Database
HEADER 6FNJ_COMPLEX COMPND 6FNJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 ALA LYS GLU ILE ASP VAL SER TYR VAL LYS ILE GLU GLU SEQRES 2 A 155 VAL ILE GLY ALA GLY GLU PHE GLY GLU VAL CYS ARG GLY SEQRES 3 A 155 ARG LEU LYS ALA PRO GLY LYS LYS GLU SER CYS VAL ALA SEQRES 4 A 155 ILE LYS THR LEU LYS GLY GLY TYR THR GLU ARG GLN ARG SEQRES 5 A 155 ARG GLU PHE LEU SER GLU ALA SER ILE MET GLY GLN PHE SEQRES 6 A 155 GLU HIS PRO ASN ILE ILE ARG LEU GLU GLY VAL VAL THR SEQRES 7 A 155 ASN SER MET PRO VAL MET ILE LEU THR GLU PHE MET GLU SEQRES 8 A 155 ASN GLY ALA LEU ASP SER PHE LEU ARG LEU ASN ASP GLY SEQRES 9 A 155 GLN PHE THR VAL ILE GLN LEU VAL GLY MET LEU ARG GLY SEQRES 10 A 155 ILE ALA SER GLY MET ARG TYR LEU ALA GLU MET SER TYR SEQRES 11 A 155 VAL HIS ARG ASP LEU ALA ALA ARG ASN ILE LEU VAL ASN SEQRES 12 A 155 SER ASN LEU VAL CYS LYS VAL SER ASP PHE GLY LEU SEQRES 1 A 107 ILE PRO ILE ARG TRP THR ALA PRO GLU ALA ILE ALA PHE SEQRES 2 A 107 ARG LYS PHE THR SER ALA SER ASP VAL TRP SER TYR GLY SEQRES 3 A 107 ILE VAL MET TRP GLU VAL MET SER PHE GLY GLU ARG PRO SEQRES 4 A 107 TYR TRP ASP MET SER ASN GLN ASP VAL ILE ASN ALA ILE SEQRES 5 A 107 GLU GLN ASP TYR ARG LEU PRO PRO PRO PRO ASP CYS PRO SEQRES 6 A 107 THR SER LEU HIS GLN LEU MET LEU ASP CYS TRP GLN LYS SEQRES 7 A 107 ASP ARG ASN ALA ARG PRO ARG PHE PRO GLN ILE VAL SER SEQRES 8 A 107 ALA LEU ASP LYS MET ILE ARG ASN PRO ALA SER LEU LYS SEQRES 9 A 107 ILE VAL ALA HET DWT A 597 57 ATOM 1 N ALA A 607 11.716 21.486 103.923 1.00 59.40 N ATOM 2 CA ALA A 607 10.878 21.339 105.112 1.00 56.41 C ATOM 3 C ALA A 607 11.327 22.263 106.240 1.00 50.00 C ATOM 4 O ALA A 607 12.510 22.335 106.569 1.00 54.68 O ATOM 5 CB ALA A 607 10.863 19.890 105.584 1.00 51.28 C ATOM 6 HN3 ALA A 607 12.701 21.254 104.164 1.00 0.00 H ATOM 7 HN2 ALA A 607 11.663 22.467 103.582 1.00 0.00 H ATOM 8 HN1 ALA A 607 11.378 20.841 103.180 1.00 0.00 H ATOM 9 N LYS A 608 10.359 22.962 106.826 1.00 48.30 N ATOM 10 CA LYS A 608 10.637 23.916 107.888 1.00 48.30 C ATOM 11 C LYS A 608 11.095 23.188 109.147 1.00 49.41 C ATOM 12 O LYS A 608 10.448 22.238 109.600 1.00 43.29 O ATOM 13 CB LYS A 608 9.365 24.711 108.182 1.00 48.37 C ATOM 14 CG LYS A 608 9.477 25.697 109.331 1.00 53.18 C ATOM 15 CD LYS A 608 8.098 26.197 109.745 1.00 58.76 C ATOM 16 CE LYS A 608 8.195 27.251 110.836 1.00 64.24 C ATOM 17 NZ LYS A 608 9.060 26.802 111.964 1.00 66.29 N ATOM 18 HZ1 LYS A 608 8.663 25.936 112.380 1.00 0.00 H ATOM 19 HZ2 LYS A 608 10.018 26.609 111.609 1.00 0.00 H ATOM 20 HZ3 LYS A 608 9.100 27.549 112.687 1.00 0.00 H ATOM 21 H LYS A 608 9.376 22.823 106.516 1.00 0.00 H ATOM 22 N GLU A 609 12.213 23.632 109.716 1.00 43.66 N ATOM 23 CA GLU A 609 12.693 23.066 110.967 1.00 38.61 C ATOM 24 C GLU A 609 11.899 23.654 112.123 1.00 42.67 C ATOM 25 O GLU A 609 11.785 24.877 112.250 1.00 44.27 O ATOM 26 CB GLU A 609 14.177 23.374 111.147 1.00 43.13 C ATOM 27 CG GLU A 609 14.763 22.857 112.453 1.00 47.11 C ATOM 28 CD GLU A 609 14.954 21.350 112.454 1.00 49.41 C ATOM 29 OE1 GLU A 609 15.087 20.768 111.356 1.00 43.46 O ATOM 30 OE2 GLU A 609 14.973 20.749 113.552 1.00 46.81 O ATOM 31 H GLU A 609 12.752 24.395 109.259 1.00 0.00 H ATOM 32 N ILE A 610 11.346 22.783 112.963 1.00 38.05 N ATOM 33 CA ILE A 610 10.537 23.186 114.105 1.00 38.02 C ATOM 34 C ILE A 610 11.335 22.909 115.370 1.00 38.07 C ATOM 35 O ILE A 610 11.852 21.801 115.557 1.00 37.19 O ATOM 36 CB ILE A 610 9.192 22.440 114.133 1.00 38.33 C ATOM 37 CG1 ILE A 610 8.362 22.799 112.900 1.00 41.52 C ATOM 38 CG2 ILE A 610 8.426 22.772 115.399 1.00 37.15 C ATOM 39 CD1 ILE A 610 7.084 21.996 112.788 1.00 37.19 C ATOM 40 H ILE A 610 11.498 21.768 112.796 1.00 0.00 H ATOM 41 N ASP A 611 11.440 23.914 116.227 1.00 40.05 N ATOM 42 CA ASP A 611 12.134 23.734 117.491 1.00 39.58 C ATOM 43 C ASP A 611 11.318 22.818 118.393 1.00 36.30 C ATOM 44 O ASP A 611 10.117 23.031 118.586 1.00 35.44 O ATOM 45 CB ASP A 611 12.331 25.087 118.158 1.00 41.25 C ATOM 46 CG ASP A 611 13.213 24.999 119.378 1.00 45.45 C ATOM 47 OD1 ASP A 611 14.448 25.114 119.230 1.00 54.89 O ATOM 48 OD2 ASP A 611 12.668 24.789 120.479 1.00 45.22 O ATOM 49 H ASP A 611 11.023 24.838 115.994 1.00 0.00 H ATOM 50 N VAL A 612 11.971 21.790 118.945 1.00 35.69 N ATOM 51 CA VAL A 612 11.254 20.793 119.734 1.00 33.10 C ATOM 52 C VAL A 612 10.554 21.407 120.938 1.00 35.00 C ATOM 53 O VAL A 612 9.569 20.844 121.434 1.00 31.00 O ATOM 54 CB VAL A 612 12.171 19.612 120.119 1.00 32.57 C ATOM 55 CG1 VAL A 612 13.142 20.026 121.220 1.00 35.48 C ATOM 56 CG2 VAL A 612 11.336 18.411 120.554 1.00 36.25 C ATOM 57 H VAL A 612 12.998 21.700 118.811 1.00 0.00 H ATOM 58 N SER A 613 11.018 22.565 121.418 1.00 35.11 N ATOM 59 CA SER A 613 10.350 23.168 122.569 1.00 39.34 C ATOM 60 C SER A 613 8.922 23.590 122.249 1.00 35.24 C ATOM 61 O SER A 613 8.124 23.788 123.173 1.00 38.27 O ATOM 62 CB SER A 613 11.155 24.340 123.142 1.00 42.75 C ATOM 63 OG SER A 613 11.183 25.443 122.255 1.00 47.63 O ATOM 64 HG SER A 613 11.600 25.167 121.401 1.00 0.00 H ATOM 65 H SER A 613 11.840 23.028 120.980 1.00 0.00 H ATOM 66 N TYR A 614 8.570 23.695 120.965 1.00 33.53 N ATOM 67 CA TYR A 614 7.221 24.055 120.557 1.00 37.38 C ATOM 68 C TYR A 614 6.308 22.845 120.402 1.00 34.67 C ATOM 69 O TYR A 614 5.127 23.023 120.096 1.00 36.27 O ATOM 70 CB TYR A 614 7.252 24.828 119.230 1.00 44.18 C ATOM 71 CG TYR A 614 8.192 26.014 119.210 1.00 47.72 C ATOM 72 CD1 TYR A 614 8.467 26.736 120.367 1.00 51.03 C ATOM 73 CD2 TYR A 614 8.808 26.411 118.028 1.00 52.51 C ATOM 74 CE1 TYR A 614 9.329 27.817 120.347 1.00 52.98 C ATOM 75 CE2 TYR A 614 9.671 27.491 117.999 1.00 56.83 C ATOM 76 CZ TYR A 614 9.928 28.189 119.159 1.00 59.82 C ATOM 77 OH TYR A 614 10.785 29.265 119.132 1.00 69.65 O ATOM 78 HH TYR A 614 10.858 29.650 120.041 1.00 0.00 H ATOM 79 H TYR A 614 9.285 23.513 120.232 1.00 0.00 H ATOM 80 N VAL A 615 6.814 21.631 120.622 1.00 30.40 N ATOM 81 CA VAL A 615 6.075 20.402 120.346 1.00 33.86 C ATOM 82 C VAL A 615 5.778 19.679 121.649 1.00 33.28 C ATOM 83 O VAL A 615 6.654 19.549 122.512 1.00 29.34 O ATOM 84 CB VAL A 615 6.873 19.484 119.402 1.00 31.83 C ATOM 85 CG1 VAL A 615 6.052 18.241 119.061 1.00 31.16 C ATOM 86 CG2 VAL A 615 7.306 20.247 118.152 1.00 29.07 C ATOM 87 H VAL A 615 7.777 21.556 121.007 1.00 0.00 H ATOM 88 N LYS A 616 4.550 19.191 121.783 1.00 28.20 N ATOM 89 CA LYS A 616 4.159 18.316 122.879 1.00 31.47 C ATOM 90 C LYS A 616 3.443 17.100 122.316 1.00 30.05 C ATOM 91 O LYS A 616 2.611 17.225 121.415 1.00 32.62 O ATOM 92 CB LYS A 616 3.239 19.039 123.863 1.00 32.72 C ATOM 93 CG LYS A 616 3.998 20.016 124.749 1.00 44.86 C ATOM 94 CD LYS A 616 3.117 20.655 125.809 1.00 48.14 C ATOM 95 CE LYS A 616 3.827 21.852 126.430 1.00 55.56 C ATOM 96 NZ LYS A 616 3.287 22.211 127.773 1.00 56.56 N ATOM 97 HZ1 LYS A 616 2.278 22.448 127.687 1.00 0.00 H ATOM 98 HZ2 LYS A 616 3.401 21.403 128.418 1.00 0.00 H ATOM 99 HZ3 LYS A 616 3.807 23.031 128.147 1.00 0.00 H ATOM 100 H LYS A 616 3.835 19.446 121.072 1.00 0.00 H ATOM 101 N ILE A 617 3.775 15.926 122.833 1.00 28.51 N ATOM 102 CA ILE A 617 3.151 14.670 122.427 1.00 26.89 C ATOM 103 C ILE A 617 2.075 14.292 123.430 1.00 34.43 C ATOM 104 O ILE A 617 2.333 14.234 124.642 1.00 33.82 O ATOM 105 CB ILE A 617 4.195 13.555 122.264 1.00 30.38 C ATOM 106 CG1 ILE A 617 5.075 13.851 121.039 1.00 36.64 C ATOM 107 CG2 ILE A 617 3.511 12.199 122.141 1.00 36.14 C ATOM 108 CD1 ILE A 617 6.154 12.825 120.798 1.00 40.04 C ATOM 109 H ILE A 617 4.515 15.898 123.563 1.00 0.00 H ATOM 110 N GLU A 618 0.868 14.011 122.932 1.00 32.98 N ATOM 111 CA GLU A 618 -0.279 13.791 123.803 1.00 32.99 C ATOM 112 C GLU A 618 -0.838 12.376 123.804 1.00 44.67 C ATOM 113 O GLU A 618 -1.511 12.006 124.771 1.00 51.21 O ATOM 114 CB GLU A 618 -1.409 14.774 123.475 1.00 39.52 C ATOM 115 CG GLU A 618 -0.984 16.218 123.563 1.00 42.47 C ATOM 116 CD GLU A 618 -2.056 17.096 124.153 1.00 60.16 C ATOM 117 OE1 GLU A 618 -1.817 17.673 125.235 1.00 61.61 O ATOM 118 OE2 GLU A 618 -3.139 17.202 123.539 1.00 72.09 O ATOM 119 H GLU A 618 0.744 13.948 121.901 1.00 0.00 H ATOM 120 N GLU A 619 -0.601 11.586 122.760 1.00 33.91 N ATOM 121 CA GLU A 619 -1.109 10.223 122.721 1.00 36.89 C ATOM 122 C GLU A 619 -0.481 9.512 121.536 1.00 41.55 C ATOM 123 O GLU A 619 -0.337 10.104 120.464 1.00 38.20 O ATOM 124 CB GLU A 619 -2.638 10.218 122.578 1.00 48.02 C ATOM 125 CG GLU A 619 -3.263 8.840 122.468 1.00 53.19 C ATOM 126 CD GLU A 619 -4.783 8.896 122.421 1.00 65.35 C ATOM 127 OE1 GLU A 619 -5.350 9.990 122.645 1.00 65.42 O ATOM 128 OE2 GLU A 619 -5.411 7.848 122.155 1.00 69.17 O ATOM 129 H GLU A 619 -0.044 11.948 121.960 1.00 0.00 H ATOM 130 N VAL A 620 -0.096 8.255 121.740 1.00 35.06 N ATOM 131 CA VAL A 620 0.372 7.408 120.649 1.00 38.52 C ATOM 132 C VAL A 620 -0.851 6.797 119.980 1.00 46.49 C ATOM 133 O VAL A 620 -1.661 6.129 120.632 1.00 52.55 O ATOM 134 CB VAL A 620 1.326 6.319 121.158 1.00 45.93 C ATOM 135 CG1 VAL A 620 1.772 5.430 120.003 1.00 46.31 C ATOM 136 CG2 VAL A 620 2.528 6.948 121.852 1.00 44.63 C ATOM 137 H VAL A 620 -0.130 7.866 122.704 1.00 0.00 H ATOM 138 N ILE A 621 -0.997 7.040 118.680 1.00 40.79 N ATOM 139 CA ILE A 621 -2.158 6.570 117.929 1.00 44.48 C ATOM 140 C ILE A 621 -1.820 5.482 116.924 1.00 46.88 C ATOM 141 O ILE A 621 -2.743 4.923 116.308 1.00 52.60 O ATOM 142 CB ILE A 621 -2.918 7.732 117.253 1.00 41.94 C ATOM 143 CG1 ILE A 621 -2.014 8.460 116.261 1.00 41.87 C ATOM 144 CG2 ILE A 621 -3.445 8.704 118.300 1.00 42.58 C ATOM 145 CD1 ILE A 621 -2.716 9.556 115.472 1.00 41.12 C ATOM 146 H ILE A 621 -0.261 7.582 118.183 1.00 0.00 H ATOM 147 N GLY A 622 -0.547 5.156 116.741 1.00 43.57 N ATOM 148 CA GLY A 622 -0.180 4.132 115.785 1.00 47.90 C ATOM 149 C GLY A 622 1.288 3.784 115.883 1.00 54.42 C ATOM 150 O GLY A 622 2.001 4.247 116.776 1.00 48.91 O ATOM 151 H GLY A 622 0.193 5.640 117.288 1.00 0.00 H ATOM 152 N ALA A 623 1.734 2.957 114.937 1.00 60.05 N ATOM 153 CA ALA A 623 3.116 2.492 114.896 1.00 59.46 C ATOM 154 C ALA A 623 3.556 2.402 113.444 1.00 63.79 C ATOM 155 O ALA A 623 2.989 1.625 112.668 1.00 68.64 O ATOM 156 CB ALA A 623 3.256 1.131 115.584 1.00 56.89 C ATOM 157 H ALA A 623 1.073 2.632 114.202 1.00 0.00 H ATOM 158 N GLY A 624 4.558 3.199 113.076 1.00 60.81 N ATOM 159 CA GLY A 624 5.116 3.174 111.742 1.00 62.79 C ATOM 160 C GLY A 624 6.236 2.160 111.608 1.00 68.96 C ATOM 161 O GLY A 624 6.498 1.347 112.497 1.00 68.58 O ATOM 162 H GLY A 624 4.953 3.863 113.773 1.00 0.00 H ATOM 163 N GLU A 625 6.936 2.227 110.484 1.00 71.39 N ATOM 164 CA GLU A 625 8.027 1.311 110.213 1.00 74.04 C ATOM 165 C GLU A 625 9.291 1.655 110.995 1.00 75.32 C ATOM 166 O GLU A 625 10.114 0.779 111.250 1.00 75.59 O ATOM 167 CB GLU A 625 8.273 1.184 108.696 1.00 74.68 C ATOM 168 CG GLU A 625 7.182 0.521 107.871 1.00 83.53 C ATOM 169 CD GLU A 625 7.473 0.501 106.374 1.00 90.18 C ATOM 170 OE1 GLU A 625 8.429 1.166 105.958 1.00 95.82 O ATOM 171 OE2 GLU A 625 6.741 -0.168 105.614 1.00 88.09 O ATOM 172 H GLU A 625 6.697 2.954 109.780 1.00 0.00 H ATOM 173 N PHE A 626 9.423 2.910 111.412 1.00 70.11 N ATOM 174 CA PHE A 626 10.597 3.359 112.151 1.00 69.29 C ATOM 175 C PHE A 626 10.296 3.820 113.573 1.00 65.93 C ATOM 176 O PHE A 626 11.233 4.128 114.322 1.00 56.49 O ATOM 177 CB PHE A 626 11.305 4.488 111.387 1.00 66.49 C ATOM 178 CG PHE A 626 11.829 4.074 110.040 1.00 74.22 C ATOM 179 CD1 PHE A 626 11.670 4.898 108.936 1.00 69.64 C ATOM 180 CD2 PHE A 626 12.486 2.864 109.881 1.00 78.77 C ATOM 181 CE1 PHE A 626 12.153 4.522 107.698 1.00 69.81 C ATOM 182 CE2 PHE A 626 12.972 2.481 108.645 1.00 82.32 C ATOM 183 CZ PHE A 626 12.805 3.311 107.552 1.00 79.36 C ATOM 184 H PHE A 626 8.666 3.592 111.205 1.00 0.00 H ATOM 185 N GLY A 627 9.028 3.885 113.968 1.00 61.11 N ATOM 186 CA GLY A 627 8.694 4.351 115.297 1.00 45.62 C ATOM 187 C GLY A 627 7.205 4.475 115.526 1.00 49.32 C ATOM 188 O GLY A 627 6.439 3.564 115.199 1.00 55.96 O ATOM 189 H GLY A 627 8.270 3.599 113.316 1.00 0.00 H ATOM 190 N GLU A 628 6.780 5.605 116.077 1.00 36.29 N ATOM 191 CA GLU A 628 5.400 5.799 116.484 1.00 36.74 C ATOM 192 C GLU A 628 4.717 6.836 115.603 1.00 39.79 C ATOM 193 O GLU A 628 5.361 7.611 114.886 1.00 39.22 O ATOM 194 CB GLU A 628 5.320 6.250 117.951 1.00 40.69 C ATOM 195 CG GLU A 628 6.134 5.399 118.912 1.00 49.79 C ATOM 196 CD GLU A 628 6.191 5.981 120.318 1.00 55.94 C ATOM 197 OE1 GLU A 628 6.497 7.185 120.461 1.00 55.21 O ATOM 198 OE2 GLU A 628 5.933 5.230 121.281 1.00 62.23 O ATOM 199 H GLU A 628 7.459 6.379 116.222 1.00 0.00 H ATOM 200 N VAL A 629 3.389 6.823 115.664 1.00 37.07 N ATOM 201 CA VAL A 629 2.553 7.911 115.176 1.00 32.49 C ATOM 202 C VAL A 629 1.782 8.447 116.371 1.00 31.69 C ATOM 203 O VAL A 629 1.184 7.670 117.127 1.00 33.28 O ATOM 204 CB VAL A 629 1.593 7.441 114.069 1.00 36.84 C ATOM 205 CG1 VAL A 629 0.791 8.623 113.537 1.00 35.08 C ATOM 206 CG2 VAL A 629 2.367 6.761 112.951 1.00 40.36 C ATOM 207 H VAL A 629 2.923 5.993 116.082 1.00 0.00 H ATOM 208 N CYS A 630 1.797 9.765 116.546 1.00 30.25 N ATOM 209 CA CYS A 630 1.223 10.380 117.730 1.00 29.63 C ATOM 210 C CYS A 630 0.357 11.564 117.356 1.00 29.10 C ATOM 211 O CYS A 630 0.517 12.175 116.294 1.00 31.65 O ATOM 212 CB CYS A 630 2.316 10.916 118.670 1.00 30.46 C ATOM 213 SG CYS A 630 3.547 9.701 119.137 1.00 35.49 S ATOM 214 H CYS A 630 2.230 10.369 115.818 1.00 0.00 H ATOM 215 N ARG A 631 -0.554 11.893 118.263 1.00 27.52 N ATOM 216 CA ARG A 631 -1.254 13.165 118.247 1.00 29.29 C ATOM 217 C ARG A 631 -0.521 14.097 119.195 1.00 28.75 C ATOM 218 O ARG A 631 -0.052 13.662 120.249 1.00 30.33 O ATOM 219 CB ARG A 631 -2.700 12.990 118.719 1.00 40.05 C ATOM 220 CG ARG A 631 -3.539 14.253 118.582 1.00 42.84 C ATOM 221 CD ARG A 631 -4.974 14.065 119.076 1.00 47.54 C ATOM 222 NE ARG A 631 -5.051 13.968 120.530 1.00 53.71 N ATOM 223 CZ ARG A 631 -5.092 12.823 121.200 1.00 62.72 C ATOM 224 NH1 ARG A 631 -5.076 11.671 120.540 1.00 53.13 N ATOM 225 NH2 ARG A 631 -5.154 12.829 122.528 1.00 61.76 N ATOM 226 HE ARG A 631 -5.075 14.853 121.076 1.00 0.00 H ATOM 227 HH12 ARG A 631 -5.108 10.772 121.062 1.00 0.00 H ATOM 228 HH11 ARG A 631 -5.031 11.668 119.501 1.00 0.00 H ATOM 229 HH22 ARG A 631 -5.186 11.931 123.051 1.00 0.00 H ATOM 230 HH21 ARG A 631 -5.170 13.732 123.044 1.00 0.00 H ATOM 231 H ARG A 631 -0.776 11.211 119.017 1.00 0.00 H ATOM 232 N GLY A 632 -0.395 15.361 118.810 1.00 28.52 N ATOM 233 CA GLY A 632 0.295 16.307 119.658 1.00 30.98 C ATOM 234 C GLY A 632 -0.144 17.733 119.412 1.00 31.69 C ATOM 235 O GLY A 632 -1.127 17.995 118.715 1.00 31.93 O ATOM 236 H GLY A 632 -0.792 15.670 117.900 1.00 0.00 H ATOM 237 N ARG A 633 0.588 18.658 120.025 1.00 28.84 N ATOM 238 CA ARG A 633 0.299 20.078 119.909 1.00 29.83 C ATOM 239 C ARG A 633 1.541 20.872 119.525 1.00 35.82 C ATOM 240 O ARG A 633 2.640 20.622 120.021 1.00 35.41 O ATOM 241 CB ARG A 633 -0.282 20.614 121.220 1.00 37.32 C ATOM 242 CG ARG A 633 -1.331 19.713 121.849 1.00 49.67 C ATOM 243 CD ARG A 633 -2.411 20.525 122.545 1.00 61.31 C ATOM 244 NE ARG A 633 -3.718 19.878 122.466 1.00 69.91 N ATOM 245 CZ ARG A 633 -4.738 20.340 121.751 1.00 69.49 C ATOM 246 NH1 ARG A 633 -4.606 21.456 121.047 1.00 65.02 N ATOM 247 NH2 ARG A 633 -5.891 19.685 121.738 1.00 74.08 N ATOM 248 HE ARG A 633 -3.859 18.999 123.004 1.00 0.00 H ATOM 249 HH12 ARG A 633 -5.406 21.816 120.488 1.00 0.00 H ATOM 250 HH11 ARG A 633 -3.703 21.971 121.054 1.00 0.00 H ATOM 251 HH22 ARG A 633 -6.689 20.048 121.178 1.00 0.00 H ATOM 252 HH21 ARG A 633 -5.997 18.809 122.288 1.00 0.00 H ATOM 253 H ARG A 633 1.395 18.356 120.607 1.00 0.00 H ATOM 254 N LEU A 634 1.343 21.832 118.632 1.00 32.17 N ATOM 255 CA LEU A 634 2.402 22.700 118.142 1.00 32.73 C ATOM 256 C LEU A 634 2.059 24.120 118.565 1.00 41.69 C ATOM 257 O LEU A 634 0.979 24.624 118.241 1.00 40.57 O ATOM 258 CB LEU A 634 2.504 22.599 116.616 1.00 33.29 C ATOM 259 CG LEU A 634 3.529 23.473 115.899 1.00 37.96 C ATOM 260 CD1 LEU A 634 4.932 23.122 116.353 1.00 38.42 C ATOM 261 CD2 LEU A 634 3.392 23.313 114.380 1.00 39.99 C ATOM 262 H LEU A 634 0.381 21.971 118.263 1.00 0.00 H ATOM 263 N LYS A 635 2.965 24.757 119.305 1.00 40.62 N ATOM 264 CA LYS A 635 2.762 26.116 119.809 1.00 50.15 C ATOM 265 C LYS A 635 4.041 26.896 119.521 1.00 55.14 C ATOM 266 O LYS A 635 4.969 26.902 120.333 1.00 52.91 O ATOM 267 CB LYS A 635 2.414 26.107 121.301 1.00 50.79 C ATOM 268 CG LYS A 635 2.198 27.491 121.906 1.00 56.42 C ATOM 269 CD LYS A 635 1.235 28.320 121.070 1.00 61.08 C ATOM 270 CE LYS A 635 1.043 29.713 121.657 1.00 67.44 C ATOM 271 NZ LYS A 635 2.092 30.669 121.200 1.00 70.14 N ATOM 272 HZ1 LYS A 635 3.027 30.321 121.493 1.00 0.00 H ATOM 273 HZ2 LYS A 635 2.059 30.748 120.164 1.00 0.00 H ATOM 274 HZ3 LYS A 635 1.918 31.602 121.626 1.00 0.00 H ATOM 275 H LYS A 635 3.854 24.268 119.534 1.00 0.00 H ATOM 276 N ALA A 636 4.089 27.532 118.353 1.00 56.01 N ATOM 277 CA ALA A 636 5.202 28.345 117.892 1.00 64.34 C ATOM 278 C ALA A 636 5.068 29.763 118.435 1.00 73.55 C ATOM 279 O ALA A 636 3.971 30.185 118.815 1.00 76.34 O ATOM 280 CB ALA A 636 5.215 28.361 116.365 1.00 64.19 C ATOM 281 H ALA A 636 3.267 27.440 117.722 1.00 0.00 H ATOM 282 N PRO A 637 6.168 30.532 118.488 1.00 78.31 N ATOM 283 CA PRO A 637 6.123 31.823 119.208 1.00 81.14 C ATOM 284 C PRO A 637 5.032 32.789 118.765 1.00 84.13 C ATOM 285 O PRO A 637 4.319 33.341 119.615 1.00 81.48 O ATOM 286 CB PRO A 637 7.537 32.392 118.996 1.00 77.11 C ATOM 287 CG PRO A 637 8.073 31.666 117.803 1.00 74.70 C ATOM 288 CD PRO A 637 7.502 30.288 117.912 1.00 74.16 C ATOM 289 N GLY A 638 4.877 33.009 117.462 1.00 80.03 N ATOM 290 CA GLY A 638 3.946 34.015 116.987 1.00 81.38 C ATOM 291 C GLY A 638 2.522 33.538 116.794 1.00 83.70 C ATOM 292 O GLY A 638 1.578 34.327 116.910 1.00 85.76 O ATOM 293 H GLY A 638 5.429 32.454 116.777 1.00 0.00 H ATOM 294 N LYS A 639 2.349 32.252 116.514 1.00 80.92 N ATOM 295 CA LYS A 639 1.069 31.711 116.084 1.00 78.68 C ATOM 296 C LYS A 639 0.289 31.105 117.249 1.00 75.22 C ATOM 297 O LYS A 639 0.783 30.972 118.372 1.00 74.86 O ATOM 298 CB LYS A 639 1.285 30.678 114.971 1.00 78.06 C ATOM 299 CG LYS A 639 1.813 31.286 113.677 1.00 79.58 C ATOM 300 CD LYS A 639 2.042 30.230 112.594 1.00 84.56 C ATOM 301 CE LYS A 639 2.548 30.825 111.281 1.00 87.44 C ATOM 302 NZ LYS A 639 2.794 29.787 110.228 1.00 81.42 N ATOM 303 HZ1 LYS A 639 3.509 29.113 110.568 1.00 0.00 H ATOM 304 HZ2 LYS A 639 1.907 29.282 110.027 1.00 0.00 H ATOM 305 HZ3 LYS A 639 3.135 30.249 109.361 1.00 0.00 H ATOM 306 H LYS A 639 3.159 31.607 116.606 1.00 0.00 H ATOM 307 N LYS A 640 -0.962 30.757 116.962 1.00 73.00 N ATOM 308 CA LYS A 640 -1.800 30.047 117.914 1.00 67.58 C ATOM 309 C LYS A 640 -1.421 28.565 117.943 1.00 64.19 C ATOM 310 O LYS A 640 -0.821 28.030 117.005 1.00 64.13 O ATOM 311 CB LYS A 640 -3.280 30.239 117.556 1.00 67.62 C ATOM 312 CG LYS A 640 -3.782 31.683 117.678 1.00 74.72 C ATOM 313 CD LYS A 640 -5.260 31.794 117.306 1.00 75.87 C ATOM 314 CE LYS A 640 -5.819 33.210 117.356 1.00 74.03 C ATOM 315 NZ LYS A 640 -5.761 33.763 118.749 1.00 71.48 N ATOM 316 HZ1 LYS A 640 -6.322 33.160 119.384 1.00 0.00 H ATOM 317 HZ2 LYS A 640 -4.773 33.783 119.072 1.00 0.00 H ATOM 318 HZ3 LYS A 640 -6.148 34.728 118.754 1.00 0.00 H ATOM 319 H LYS A 640 -1.352 31.000 116.029 1.00 0.00 H ATOM 320 N GLU A 641 -1.792 27.897 119.033 1.00 60.21 N ATOM 321 CA GLU A 641 -1.493 26.478 119.179 1.00 52.59 C ATOM 322 C GLU A 641 -2.437 25.634 118.330 1.00 56.98 C ATOM 323 O GLU A 641 -3.653 25.833 118.341 1.00 56.17 O ATOM 324 CB GLU A 641 -1.656 26.062 120.635 1.00 51.37 C ATOM 325 CG GLU A 641 -1.510 24.569 120.852 1.00 47.73 C ATOM 326 CD GLU A 641 -1.937 24.138 122.237 1.00 63.63 C ATOM 327 OE1 GLU A 641 -1.073 24.094 123.136 1.00 60.24 O ATOM 328 OE2 GLU A 641 -3.138 23.846 122.425 1.00 70.27 O ATOM 329 H GLU A 641 -2.302 28.394 119.791 1.00 0.00 H ATOM 330 N SER A 642 -1.878 24.658 117.621 1.00 45.90 N ATOM 331 CA SER A 642 -2.677 23.765 116.795 1.00 45.20 C ATOM 332 C SER A 642 -2.398 22.315 117.161 1.00 41.76 C ATOM 333 O SER A 642 -1.379 21.985 117.776 1.00 39.62 O ATOM 334 CB SER A 642 -2.399 23.972 115.301 1.00 46.76 C ATOM 335 OG SER A 642 -1.033 23.756 114.994 1.00 44.73 O ATOM 336 HG SER A 642 -0.887 23.897 114.025 1.00 0.00 H ATOM 337 H SER A 642 -0.847 24.530 117.657 1.00 0.00 H ATOM 338 N CYS A 643 -3.317 21.441 116.760 1.00 39.09 N ATOM 339 CA CYS A 643 -3.145 20.005 116.922 1.00 37.95 C ATOM 340 C CYS A 643 -2.417 19.453 115.702 1.00 35.10 C ATOM 341 O CYS A 643 -2.720 19.825 114.565 1.00 35.24 O ATOM 342 CB CYS A 643 -4.512 19.332 117.063 1.00 39.65 C ATOM 343 SG CYS A 643 -4.477 17.613 117.611 1.00 35.69 S ATOM 344 H CYS A 643 -4.188 21.796 116.316 1.00 0.00 H ATOM 345 N VAL A 644 -1.446 18.573 115.943 1.00 29.73 N ATOM 346 CA VAL A 644 -0.631 18.008 114.879 1.00 28.45 C ATOM 347 C VAL A 644 -0.615 16.495 114.997 1.00 27.62 C ATOM 348 O VAL A 644 -0.809 15.927 116.075 1.00 28.78 O ATOM 349 CB VAL A 644 0.811 18.569 114.851 1.00 28.84 C ATOM 350 CG1 VAL A 644 0.815 20.037 114.423 1.00 31.31 C ATOM 351 CG2 VAL A 644 1.492 18.387 116.217 1.00 28.08 C ATOM 352 H VAL A 644 -1.265 18.280 116.924 1.00 0.00 H ATOM 353 N ALA A 645 -0.401 15.839 113.864 1.00 24.79 N ATOM 354 CA ALA A 645 -0.031 14.436 113.857 1.00 24.83 C ATOM 355 C ALA A 645 1.477 14.355 113.688 1.00 26.20 C ATOM 356 O ALA A 645 2.075 15.159 112.960 1.00 25.89 O ATOM 357 CB ALA A 645 -0.724 13.685 112.722 1.00 26.84 C ATOM 358 H ALA A 645 -0.501 16.342 112.959 1.00 0.00 H ATOM 359 N ILE A 646 2.093 13.384 114.357 1.00 28.63 N ATOM 360 CA ILE A 646 3.545 13.315 114.443 1.00 26.44 C ATOM 361 C ILE A 646 4.007 11.898 114.143 1.00 29.13 C ATOM 362 O ILE A 646 3.526 10.940 114.755 1.00 32.55 O ATOM 363 CB ILE A 646 4.023 13.723 115.850 1.00 28.21 C ATOM 364 CG1 ILE A 646 3.499 15.117 116.223 1.00 27.23 C ATOM 365 CG2 ILE A 646 5.543 13.660 115.911 1.00 33.11 C ATOM 366 CD1 ILE A 646 3.800 15.507 117.687 1.00 31.64 C ATOM 367 H ILE A 646 1.523 12.655 114.831 1.00 0.00 H ATOM 368 N LYS A 647 4.941 11.762 113.209 1.00 29.08 N ATOM 369 CA LYS A 647 5.663 10.514 113.019 1.00 32.69 C ATOM 370 C LYS A 647 7.012 10.654 113.701 1.00 35.16 C ATOM 371 O LYS A 647 7.709 11.652 113.495 1.00 35.16 O ATOM 372 CB LYS A 647 5.887 10.232 111.534 1.00 34.58 C ATOM 373 CG LYS A 647 4.919 9.244 110.952 1.00 35.16 C ATOM 374 CD LYS A 647 5.170 9.045 109.463 1.00 34.54 C ATOM 375 CE LYS A 647 5.885 7.743 109.200 1.00 39.70 C ATOM 376 NZ LYS A 647 5.814 7.418 107.742 1.00 38.56 N ATOM 377 HZ1 LYS A 647 4.818 7.330 107.456 1.00 0.00 H ATOM 378 HZ2 LYS A 647 6.267 8.178 107.196 1.00 0.00 H ATOM 379 HZ3 LYS A 647 6.308 6.520 107.564 1.00 0.00 H ATOM 380 H LYS A 647 5.163 12.572 112.595 1.00 0.00 H ATOM 381 N THR A 648 7.358 9.675 114.529 1.00 33.77 N ATOM 382 CA THR A 648 8.609 9.719 115.269 1.00 38.97 C ATOM 383 C THR A 648 9.608 8.642 114.866 1.00 40.08 C ATOM 384 O THR A 648 9.244 7.573 114.377 1.00 44.94 O ATOM 385 CB THR A 648 8.364 9.620 116.788 1.00 37.26 C ATOM 386 OG1 THR A 648 7.932 8.294 117.120 1.00 39.07 O ATOM 387 CG2 THR A 648 7.301 10.618 117.222 1.00 39.10 C ATOM 388 HG1 THR A 648 7.092 8.091 116.637 1.00 0.00 H ATOM 389 H THR A 648 6.722 8.861 114.651 1.00 0.00 H ATOM 390 N LEU A 649 10.877 8.957 115.088 1.00 43.71 N ATOM 391 CA LEU A 649 11.996 8.070 114.796 1.00 50.67 C ATOM 392 C LEU A 649 12.999 8.354 115.908 1.00 49.56 C ATOM 393 O LEU A 649 13.593 9.432 115.944 1.00 56.82 O ATOM 394 CB LEU A 649 12.603 8.389 113.432 1.00 45.87 C ATOM 395 CG LEU A 649 13.898 7.657 113.078 1.00 52.56 C ATOM 396 CD1 LEU A 649 13.831 6.202 113.518 1.00 54.43 C ATOM 397 CD2 LEU A 649 14.183 7.758 111.587 1.00 56.87 C ATOM 398 H LEU A 649 11.086 9.891 115.494 1.00 0.00 H ATOM 399 N LYS A 650 13.155 7.421 116.837 1.00 60.84 N ATOM 400 CA LYS A 650 14.076 7.638 117.942 1.00 65.05 C ATOM 401 C LYS A 650 14.799 6.368 118.353 1.00 65.27 C ATOM 402 O LYS A 650 14.426 5.265 117.953 1.00 66.24 O ATOM 403 CB LYS A 650 13.336 8.229 119.145 1.00 65.25 C ATOM 404 CG LYS A 650 12.835 7.191 120.136 1.00 61.16 C ATOM 405 CD LYS A 650 11.679 7.730 120.963 1.00 56.26 C ATOM 406 CE LYS A 650 11.379 6.827 122.148 1.00 55.46 C ATOM 407 NZ LYS A 650 10.010 7.054 122.687 1.00 59.08 N ATOM 408 HZ1 LYS A 650 9.921 8.042 122.999 1.00 0.00 H ATOM 409 HZ2 LYS A 650 9.309 6.860 121.943 1.00 0.00 H ATOM 410 HZ3 LYS A 650 9.847 6.418 123.494 1.00 0.00 H ATOM 411 H LYS A 650 12.618 6.532 116.776 1.00 0.00 H ATOM 412 N GLY A 651 15.840 6.537 119.158 1.00 60.33 N ATOM 413 CA GLY A 651 16.620 5.415 119.633 1.00 55.99 C ATOM 414 C GLY A 651 17.894 5.186 118.851 1.00 64.00 C ATOM 415 O GLY A 651 18.586 6.134 118.464 1.00 57.18 O ATOM 416 H GLY A 651 16.101 7.499 119.455 1.00 0.00 H ATOM 417 N GLY A 652 18.212 3.919 118.611 1.00 68.98 N ATOM 418 CA GLY A 652 19.416 3.578 117.889 1.00 67.22 C ATOM 419 C GLY A 652 19.185 3.229 116.436 1.00 70.33 C ATOM 420 O GLY A 652 19.452 2.105 116.001 1.00 75.69 O ATOM 421 H GLY A 652 17.585 3.161 118.948 1.00 0.00 H ATOM 422 N TYR A 653 18.673 4.191 115.681 1.00 69.55 N ATOM 423 CA TYR A 653 18.551 4.041 114.243 1.00 70.79 C ATOM 424 C TYR A 653 19.890 4.341 113.582 1.00 73.88 C ATOM 425 O TYR A 653 20.672 5.168 114.064 1.00 72.43 O ATOM 426 CB TYR A 653 17.500 5.017 113.716 1.00 68.36 C ATOM 427 CG TYR A 653 17.718 6.445 114.172 1.00 59.46 C ATOM 428 CD1 TYR A 653 18.497 7.319 113.426 1.00 59.89 C ATOM 429 CD2 TYR A 653 17.144 6.919 115.347 1.00 60.23 C ATOM 430 CE1 TYR A 653 18.704 8.624 113.834 1.00 56.45 C ATOM 431 CE2 TYR A 653 17.343 8.227 115.762 1.00 61.88 C ATOM 432 CZ TYR A 653 18.125 9.075 114.999 1.00 61.93 C ATOM 433 OH TYR A 653 18.332 10.377 115.399 1.00 62.56 O ATOM 434 HH TYR A 653 18.911 10.835 114.740 1.00 0.00 H ATOM 435 H TYR A 653 18.352 5.073 116.129 1.00 0.00 H ATOM 436 N THR A 654 20.158 3.655 112.474 1.00 75.48 N ATOM 437 CA THR A 654 21.347 3.974 111.701 1.00 73.41 C ATOM 438 C THR A 654 21.207 5.365 111.096 1.00 74.99 C ATOM 439 O THR A 654 20.116 5.939 111.026 1.00 75.97 O ATOM 440 CB THR A 654 21.559 2.957 110.577 1.00 73.10 C ATOM 441 OG1 THR A 654 20.465 3.026 109.658 1.00 78.97 O ATOM 442 CG2 THR A 654 21.655 1.545 111.137 1.00 75.19 C ATOM 443 HG1 THR A 654 19.622 2.821 110.134 1.00 0.00 H ATOM 444 H THR A 654 19.520 2.895 112.163 1.00 0.00 H ATOM 445 N GLU A 655 22.338 5.918 110.662 1.00 73.04 N ATOM 446 CA GLU A 655 22.296 7.204 109.983 1.00 71.05 C ATOM 447 C GLU A 655 21.534 7.122 108.663 1.00 73.70 C ATOM 448 O GLU A 655 21.008 8.143 108.202 1.00 68.74 O ATOM 449 CB GLU A 655 23.721 7.727 109.764 1.00 67.28 C ATOM 450 CG GLU A 655 23.826 9.167 109.262 1.00 65.53 C ATOM 451 CD GLU A 655 23.181 10.184 110.197 1.00 71.32 C ATOM 452 OE1 GLU A 655 22.873 11.298 109.724 1.00 72.86 O ATOM 453 OE2 GLU A 655 22.995 9.886 111.399 1.00 66.26 O ATOM 454 H GLU A 655 23.246 5.433 110.808 1.00 0.00 H ATOM 455 N ARG A 656 21.380 5.918 108.167 1.00 75.88 N ATOM 456 CA ARG A 656 20.705 5.679 106.924 1.00 74.78 C ATOM 457 C ARG A 656 19.227 5.734 107.113 1.00 69.85 C ATOM 458 O ARG A 656 18.516 6.360 106.362 1.00 65.58 O ATOM 459 CB ARG A 656 21.095 4.313 106.456 1.00 80.40 C ATOM 460 CG ARG A 656 20.472 3.939 105.139 1.00 83.34 C ATOM 461 CD ARG A 656 20.994 2.593 104.747 1.00 85.12 C ATOM 462 NE ARG A 656 20.476 2.138 103.475 1.00 91.93 N ATOM 463 CZ ARG A 656 20.955 1.067 102.853 1.00 93.16 C ATOM 464 NH1 ARG A 656 20.470 0.694 101.685 1.00 92.14 N ATOM 465 NH2 ARG A 656 21.930 0.378 103.422 1.00 90.61 N ATOM 466 HE ARG A 656 19.700 2.669 103.031 1.00 0.00 H ATOM 467 HH12 ARG A 656 20.853 -0.147 101.207 1.00 0.00 H ATOM 468 HH11 ARG A 656 19.704 1.240 101.241 1.00 0.00 H ATOM 469 HH22 ARG A 656 22.317 -0.463 102.949 1.00 0.00 H ATOM 470 HH21 ARG A 656 22.310 0.678 104.343 1.00 0.00 H ATOM 471 H ARG A 656 21.761 5.107 108.694 1.00 0.00 H ATOM 472 N GLN A 657 18.765 4.990 108.089 1.00 69.55 N ATOM 473 CA GLN A 657 17.341 4.998 108.469 1.00 66.99 C ATOM 474 C GLN A 657 16.817 6.411 108.725 1.00 58.77 C ATOM 475 O GLN A 657 15.690 6.746 108.342 1.00 49.75 O ATOM 476 CB GLN A 657 17.127 4.188 109.751 1.00 69.18 C ATOM 477 CG GLN A 657 17.378 2.703 109.641 1.00 71.97 C ATOM 478 CD GLN A 657 17.468 2.036 111.003 1.00 75.24 C ATOM 479 OE1 GLN A 657 18.506 2.085 111.664 1.00 75.71 O ATOM 480 NE2 GLN A 657 16.375 1.418 111.434 1.00 76.14 N ATOM 481 HE22 GLN A 657 15.520 1.401 110.843 1.00 0.00 H ATOM 482 HE21 GLN A 657 16.374 0.951 112.363 1.00 0.00 H ATOM 483 H GLN A 657 19.423 4.376 108.610 1.00 0.00 H ATOM 484 N ARG A 658 17.599 7.231 109.432 1.00 57.41 N ATOM 485 CA ARG A 658 17.219 8.622 109.663 1.00 53.26 C ATOM 486 C ARG A 658 16.941 9.353 108.354 1.00 56.60 C ATOM 487 O ARG A 658 16.036 10.194 108.279 1.00 51.87 O ATOM 488 CB ARG A 658 18.343 9.333 110.412 1.00 57.32 C ATOM 489 CG ARG A 658 18.121 10.820 110.606 1.00 51.13 C ATOM 490 CD ARG A 658 19.421 11.497 110.985 1.00 55.51 C ATOM 491 NE ARG A 658 19.192 12.609 111.898 1.00 57.83 N ATOM 492 CZ ARG A 658 19.221 13.888 111.543 1.00 59.36 C ATOM 493 NH1 ARG A 658 19.494 14.222 110.290 1.00 60.33 N ATOM 494 NH2 ARG A 658 18.995 14.833 112.448 1.00 61.28 N ATOM 495 HE ARG A 658 18.993 12.386 112.894 1.00 0.00 H ATOM 496 HH12 ARG A 658 19.517 15.224 110.012 1.00 0.00 H ATOM 497 HH11 ARG A 658 19.686 13.482 109.585 1.00 0.00 H ATOM 498 HH22 ARG A 658 19.018 15.835 112.170 1.00 0.00 H ATOM 499 HH21 ARG A 658 18.795 14.571 113.435 1.00 0.00 H ATOM 500 H ARG A 658 18.493 6.873 109.824 1.00 0.00 H ATOM 501 N ARG A 659 17.763 9.026 107.356 1.00 56.04 N ATOM 502 CA ARG A 659 17.770 9.603 106.020 1.00 57.48 C ATOM 503 C ARG A 659 16.569 9.177 105.226 1.00 48.34 C ATOM 504 O ARG A 659 15.942 9.954 104.573 1.00 46.50 O ATOM 505 CB ARG A 659 19.017 9.132 105.305 1.00 65.02 C ATOM 506 CG ARG A 659 19.162 9.675 103.917 1.00 71.84 C ATOM 507 CD ARG A 659 20.459 9.222 103.297 1.00 81.86 C ATOM 508 NE ARG A 659 20.542 9.802 101.971 1.00 88.04 N ATOM 509 CZ ARG A 659 21.617 9.776 101.216 1.00 89.02 C ATOM 510 NH1 ARG A 659 21.578 10.346 100.023 1.00 85.76 N ATOM 511 NH2 ARG A 659 22.709 9.170 101.656 1.00 85.38 N ATOM 512 HE ARG A 659 19.694 10.270 101.592 1.00 0.00 H ATOM 513 HH12 ARG A 659 22.420 10.334 99.413 1.00 0.00 H ATOM 514 HH11 ARG A 659 20.705 10.806 99.695 1.00 0.00 H ATOM 515 HH22 ARG A 659 23.564 9.145 101.064 1.00 0.00 H ATOM 516 HH21 ARG A 659 22.712 8.719 102.593 1.00 0.00 H ATOM 517 H ARG A 659 18.468 8.287 107.552 1.00 0.00 H ATOM 518 N GLU A 660 16.325 7.902 105.272 1.00 49.80 N ATOM 519 CA GLU A 660 15.151 7.287 104.679 1.00 48.20 C ATOM 520 C GLU A 660 13.891 7.815 105.347 1.00 49.51 C ATOM 521 O GLU A 660 12.911 8.152 104.672 1.00 43.15 O ATOM 522 CB GLU A 660 15.236 5.769 104.801 1.00 56.56 C ATOM 523 CG GLU A 660 13.980 5.053 104.373 1.00 65.64 C ATOM 524 CD GLU A 660 14.251 3.624 103.964 1.00 78.11 C ATOM 525 OE1 GLU A 660 15.210 3.038 104.504 1.00 79.81 O ATOM 526 OE2 GLU A 660 13.510 3.089 103.110 1.00 84.91 O ATOM 527 H GLU A 660 17.008 7.288 105.760 1.00 0.00 H ATOM 528 N PHE A 661 13.931 7.959 106.673 1.00 44.09 N ATOM 529 CA PHE A 661 12.812 8.556 107.396 1.00 39.07 C ATOM 530 C PHE A 661 12.566 9.986 106.936 1.00 35.94 C ATOM 531 O PHE A 661 11.429 10.371 106.640 1.00 36.09 O ATOM 532 CB PHE A 661 13.091 8.513 108.904 1.00 35.86 C ATOM 533 CG PHE A 661 12.003 9.130 109.744 1.00 36.32 C ATOM 534 CD1 PHE A 661 10.915 8.375 110.148 1.00 40.97 C ATOM 535 CD2 PHE A 661 12.083 10.455 110.149 1.00 37.06 C ATOM 536 CE1 PHE A 661 9.914 8.934 110.931 1.00 38.22 C ATOM 537 CE2 PHE A 661 11.085 11.018 110.930 1.00 38.71 C ATOM 538 CZ PHE A 661 10.000 10.253 111.319 1.00 35.74 C ATOM 539 H PHE A 661 14.771 7.642 107.198 1.00 0.00 H ATOM 540 N LEU A 662 13.625 10.791 106.861 1.00 34.99 N ATOM 541 CA LEU A 662 13.471 12.192 106.491 1.00 31.61 C ATOM 542 C LEU A 662 13.170 12.388 105.006 1.00 37.54 C ATOM 543 O LEU A 662 12.645 13.444 104.634 1.00 37.35 O ATOM 544 CB LEU A 662 14.707 12.985 106.915 1.00 42.59 C ATOM 545 CG LEU A 662 14.826 13.122 108.434 1.00 42.13 C ATOM 546 CD1 LEU A 662 16.186 13.694 108.818 1.00 45.69 C ATOM 547 CD2 LEU A 662 13.697 13.987 108.969 1.00 41.81 C ATOM 548 H LEU A 662 14.572 10.415 107.069 1.00 0.00 H ATOM 549 N SER A 663 13.486 11.408 104.153 1.00 38.19 N ATOM 550 CA SER A 663 13.163 11.546 102.735 1.00 39.07 C ATOM 551 C SER A 663 11.671 11.744 102.531 1.00 39.04 C ATOM 552 O SER A 663 11.266 12.485 101.630 1.00 38.58 O ATOM 553 CB SER A 663 13.631 10.320 101.949 1.00 36.34 C ATOM 554 OG SER A 663 12.928 9.152 102.349 1.00 43.81 O ATOM 555 HG SER A 663 13.084 8.988 103.313 1.00 0.00 H ATOM 556 H SER A 663 13.961 10.549 104.498 1.00 0.00 H ATOM 557 N GLU A 664 10.846 11.104 103.372 1.00 35.23 N ATOM 558 CA GLU A 664 9.402 11.298 103.288 1.00 32.64 C ATOM 559 C GLU A 664 9.033 12.770 103.421 1.00 30.25 C ATOM 560 O GLU A 664 8.203 13.282 102.665 1.00 33.39 O ATOM 561 CB GLU A 664 8.680 10.453 104.343 1.00 33.44 C ATOM 562 CG GLU A 664 7.169 10.666 104.344 1.00 32.01 C ATOM 563 CD GLU A 664 6.409 9.732 105.272 1.00 38.01 C ATOM 564 OE1 GLU A 664 7.023 9.095 106.159 1.00 36.57 O ATOM 565 OE2 GLU A 664 5.174 9.636 105.117 1.00 34.78 O ATOM 566 H GLU A 664 11.239 10.463 104.091 1.00 0.00 H ATOM 567 N ALA A 665 9.651 13.477 104.373 1.00 34.24 N ATOM 568 CA ALA A 665 9.336 14.891 104.528 1.00 28.47 C ATOM 569 C ALA A 665 9.785 15.715 103.328 1.00 37.58 C ATOM 570 O ALA A 665 9.123 16.699 102.975 1.00 34.79 O ATOM 571 CB ALA A 665 9.967 15.430 105.808 1.00 31.83 C ATOM 572 H ALA A 665 10.349 13.023 104.996 1.00 0.00 H ATOM 573 N SER A 666 10.903 15.340 102.696 1.00 34.52 N ATOM 574 CA SER A 666 11.335 16.043 101.493 1.00 35.46 C ATOM 575 C SER A 666 10.315 15.877 100.375 1.00 33.83 C ATOM 576 O SER A 666 10.012 16.834 99.654 1.00 37.58 O ATOM 577 CB SER A 666 12.700 15.520 101.043 1.00 39.17 C ATOM 578 OG SER A 666 13.710 15.892 101.968 1.00 49.22 O ATOM 579 HG SER A 666 14.584 15.544 101.658 1.00 0.00 H ATOM 580 H SER A 666 11.465 14.546 103.063 1.00 0.00 H ATOM 581 N ILE A 667 9.770 14.670 100.227 1.00 33.91 N ATOM 582 CA ILE A 667 8.742 14.423 99.218 1.00 31.54 C ATOM 583 C ILE A 667 7.483 15.220 99.534 1.00 38.13 C ATOM 584 O ILE A 667 6.939 15.926 98.676 1.00 34.91 O ATOM 585 CB ILE A 667 8.456 12.914 99.125 1.00 32.80 C ATOM 586 CG1 ILE A 667 9.650 12.179 98.519 1.00 37.47 C ATOM 587 CG2 ILE A 667 7.191 12.648 98.329 1.00 36.26 C ATOM 588 CD1 ILE A 667 9.602 10.680 98.726 1.00 44.06 C ATOM 589 H ILE A 667 10.082 13.890 100.840 1.00 0.00 H ATOM 590 N MET A 668 7.001 15.119 100.777 1.00 33.99 N ATOM 591 CA MET A 668 5.764 15.790 101.169 1.00 38.05 C ATOM 592 C MET A 668 5.882 17.297 101.036 1.00 37.11 C ATOM 593 O MET A 668 4.902 17.976 100.709 1.00 42.24 O ATOM 594 CB MET A 668 5.464 15.482 102.631 1.00 36.82 C ATOM 595 CG MET A 668 5.282 14.037 102.936 1.00 39.46 C ATOM 596 SD MET A 668 5.002 13.937 104.697 1.00 34.33 S ATOM 597 CE MET A 668 3.459 14.836 104.780 1.00 34.95 C ATOM 598 H MET A 668 7.517 14.551 101.479 1.00 0.00 H ATOM 599 N GLY A 669 7.063 17.842 101.337 1.00 40.46 N ATOM 600 CA GLY A 669 7.261 19.279 101.303 1.00 38.25 C ATOM 601 C GLY A 669 7.053 19.899 99.939 1.00 42.24 C ATOM 602 O GLY A 669 6.848 21.115 99.850 1.00 43.84 O ATOM 603 H GLY A 669 7.857 17.224 101.601 1.00 0.00 H ATOM 604 N GLN A 670 7.097 19.094 98.871 1.00 39.12 N ATOM 605 CA GLN A 670 6.812 19.609 97.534 1.00 40.45 C ATOM 606 C GLN A 670 5.338 19.942 97.340 1.00 42.58 C ATOM 607 O GLN A 670 5.009 20.751 96.466 1.00 43.05 O ATOM 608 CB GLN A 670 7.197 18.586 96.465 1.00 41.30 C ATOM 609 CG GLN A 670 8.483 17.817 96.695 1.00 43.93 C ATOM 610 CD GLN A 670 8.658 16.690 95.683 1.00 57.12 C ATOM 611 OE1 GLN A 670 9.365 16.840 94.684 1.00 63.64 O ATOM 612 NE2 GLN A 670 7.989 15.565 95.926 1.00 46.93 N ATOM 613 HE22 GLN A 670 7.404 15.482 96.782 1.00 0.00 H ATOM 614 HE21 GLN A 670 8.051 14.769 95.260 1.00 0.00 H ATOM 615 H GLN A 670 7.337 18.090 98.994 1.00 0.00 H ATOM 616 N PHE A 671 4.446 19.332 98.119 1.00 38.31 N ATOM 617 CA PHE A 671 3.016 19.391 97.851 1.00 39.34 C ATOM 618 C PHE A 671 2.386 20.545 98.616 1.00 39.69 C ATOM 619 O PHE A 671 2.509 20.625 99.845 1.00 47.49 O ATOM 620 CB PHE A 671 2.337 18.092 98.289 1.00 38.64 C ATOM 621 CG PHE A 671 2.975 16.845 97.743 1.00 35.26 C ATOM 622 CD1 PHE A 671 2.961 15.673 98.487 1.00 36.92 C ATOM 623 CD2 PHE A 671 3.577 16.838 96.499 1.00 37.78 C ATOM 624 CE1 PHE A 671 3.544 14.520 98.001 1.00 36.62 C ATOM 625 CE2 PHE A 671 4.161 15.687 96.007 1.00 39.95 C ATOM 626 CZ PHE A 671 4.141 14.528 96.756 1.00 33.17 C ATOM 627 H PHE A 671 4.782 18.797 98.945 1.00 0.00 H ATOM 628 N GLU A 672 1.684 21.417 97.898 1.00 35.01 N ATOM 629 CA GLU A 672 0.887 22.475 98.518 1.00 39.37 C ATOM 630 C GLU A 672 -0.431 22.540 97.757 1.00 38.72 C ATOM 631 O GLU A 672 -0.506 23.154 96.690 1.00 37.37 O ATOM 632 CB GLU A 672 1.610 23.816 98.491 1.00 45.27 C ATOM 633 CG GLU A 672 0.736 24.986 98.919 1.00 56.10 C ATOM 634 CD GLU A 672 1.498 26.294 98.995 1.00 70.24 C ATOM 635 OE1 GLU A 672 2.744 26.253 99.097 1.00 74.37 O ATOM 636 OE2 GLU A 672 0.851 27.363 98.949 1.00 75.09 O ATOM 637 H GLU A 672 1.702 21.344 96.861 1.00 0.00 H ATOM 638 N HIS A 673 -1.464 21.907 98.304 1.00 34.00 N ATOM 639 CA HIS A 673 -2.761 21.841 97.646 1.00 31.92 C ATOM 640 C HIS A 673 -3.803 21.599 98.721 1.00 34.25 C ATOM 641 O HIS A 673 -3.513 20.909 99.708 1.00 29.13 O ATOM 642 CB HIS A 673 -2.784 20.703 96.610 1.00 30.28 C ATOM 643 CG HIS A 673 -4.040 20.653 95.798 1.00 30.05 C ATOM 644 ND1 HIS A 673 -5.199 20.066 96.257 1.00 29.64 N ATOM 645 CD2 HIS A 673 -4.322 21.128 94.561 1.00 30.64 C ATOM 646 CE1 HIS A 673 -6.143 20.182 95.340 1.00 30.91 C ATOM 647 NE2 HIS A 673 -5.637 20.826 94.302 1.00 29.67 N ATOM 648 H HIS A 673 -1.342 21.446 99.228 1.00 0.00 H ATOM 649 N PRO A 674 -5.005 22.167 98.591 1.00 30.38 N ATOM 650 CA PRO A 674 -6.003 21.997 99.660 1.00 32.97 C ATOM 651 C PRO A 674 -6.460 20.565 99.878 1.00 28.06 C ATOM 652 O PRO A 674 -7.055 20.278 100.924 1.00 30.68 O ATOM 653 CB PRO A 674 -7.161 22.910 99.230 1.00 34.45 C ATOM 654 CG PRO A 674 -6.954 23.140 97.787 1.00 34.73 C ATOM 655 CD PRO A 674 -5.477 23.094 97.547 1.00 33.48 C ATOM 656 N ASN A 675 -6.223 19.657 98.928 1.00 27.76 N ATOM 657 CA ASN A 675 -6.645 18.271 99.086 1.00 25.84 C ATOM 658 C ASN A 675 -5.473 17.315 99.241 1.00 27.12 C ATOM 659 O ASN A 675 -5.609 16.117 98.977 1.00 24.62 O ATOM 660 CB ASN A 675 -7.575 17.858 97.945 1.00 24.04 C ATOM 661 CG ASN A 675 -8.803 18.732 97.876 1.00 30.01 C ATOM 662 OD1 ASN A 675 -8.887 19.628 97.036 1.00 29.79 O ATOM 663 ND2 ASN A 675 -9.754 18.497 98.772 1.00 27.46 N ATOM 664 HD22 ASN A 675 -9.639 17.728 99.463 1.00 0.00 H ATOM 665 HD21 ASN A 675 -10.614 19.082 98.783 1.00 0.00 H ATOM 666 H ASN A 675 -5.728 19.944 98.059 1.00 0.00 H ATOM 667 N ILE A 676 -4.307 17.839 99.618 1.00 26.96 N ATOM 668 CA ILE A 676 -3.132 17.052 99.958 1.00 26.26 C ATOM 669 C ILE A 676 -2.757 17.418 101.383 1.00 28.46 C ATOM 670 O ILE A 676 -2.759 18.601 101.741 1.00 30.03 O ATOM 671 CB ILE A 676 -1.960 17.356 99.003 1.00 28.62 C ATOM 672 CG1 ILE A 676 -2.361 17.064 97.555 1.00 26.85 C ATOM 673 CG2 ILE A 676 -0.749 16.529 99.379 1.00 29.48 C ATOM 674 CD1 ILE A 676 -2.678 15.613 97.307 1.00 22.12 C ATOM 675 H ILE A 676 -4.233 18.875 99.672 1.00 0.00 H ATOM 676 N ILE A 677 -2.457 16.402 102.196 1.00 25.62 N ATOM 677 CA ILE A 677 -2.106 16.647 103.588 1.00 27.36 C ATOM 678 C ILE A 677 -0.922 17.600 103.658 1.00 28.83 C ATOM 679 O ILE A 677 0.011 17.531 102.848 1.00 31.09 O ATOM 680 CB ILE A 677 -1.830 15.311 104.297 1.00 24.97 C ATOM 681 CG1 ILE A 677 -1.679 15.531 105.798 1.00 26.55 C ATOM 682 CG2 ILE A 677 -0.598 14.626 103.723 1.00 27.87 C ATOM 683 CD1 ILE A 677 -1.423 14.263 106.542 1.00 29.68 C ATOM 684 H ILE A 677 -2.474 15.428 101.832 1.00 0.00 H ATOM 685 N ARG A 678 -0.963 18.516 104.624 1.00 30.54 N ATOM 686 CA ARG A 678 0.009 19.602 104.707 1.00 32.83 C ATOM 687 C ARG A 678 1.089 19.271 105.729 1.00 27.53 C ATOM 688 O ARG A 678 0.793 19.056 106.913 1.00 33.35 O ATOM 689 CB ARG A 678 -0.651 20.934 105.063 1.00 35.77 C ATOM 690 CG ARG A 678 0.310 22.114 104.914 1.00 42.41 C ATOM 691 CD ARG A 678 -0.287 23.425 105.394 1.00 50.68 C ATOM 692 NE ARG A 678 -1.495 23.225 106.188 1.00 57.03 N ATOM 693 CZ ARG A 678 -1.544 23.314 107.514 1.00 56.46 C ATOM 694 NH1 ARG A 678 -0.448 23.605 108.202 1.00 57.92 N ATOM 695 NH2 ARG A 678 -2.691 23.116 108.152 1.00 60.49 N ATOM 696 HE ARG A 678 -2.376 22.998 105.684 1.00 0.00 H ATOM 697 HH12 ARG A 678 -0.488 23.674 109.239 1.00 0.00 H ATOM 698 HH11 ARG A 678 0.451 23.764 107.705 1.00 0.00 H ATOM 699 HH22 ARG A 678 -2.728 23.186 109.189 1.00 0.00 H ATOM 700 HH21 ARG A 678 -3.553 22.891 107.615 1.00 0.00 H ATOM 701 H ARG A 678 -1.712 18.456 105.343 1.00 0.00 H ATOM 702 N LEU A 679 2.334 19.237 105.269 1.00 30.38 N ATOM 703 CA LEU A 679 3.471 19.106 106.173 1.00 30.46 C ATOM 704 C LEU A 679 3.642 20.390 106.977 1.00 35.13 C ATOM 705 O LEU A 679 3.732 21.485 106.408 1.00 32.76 O ATOM 706 CB LEU A 679 4.735 18.847 105.354 1.00 31.15 C ATOM 707 CG LEU A 679 6.081 18.762 106.085 1.00 31.03 C ATOM 708 CD1 LEU A 679 6.151 17.510 106.912 1.00 29.70 C ATOM 709 CD2 LEU A 679 7.213 18.800 105.045 1.00 36.62 C ATOM 710 H LEU A 679 2.502 19.305 104.245 1.00 0.00 H ATOM 711 N GLU A 680 3.692 20.255 108.310 1.00 30.19 N ATOM 712 CA GLU A 680 3.993 21.402 109.158 1.00 36.95 C ATOM 713 C GLU A 680 5.490 21.646 109.227 1.00 36.12 C ATOM 714 O GLU A 680 5.938 22.797 109.195 1.00 41.70 O ATOM 715 CB GLU A 680 3.454 21.168 110.571 1.00 35.49 C ATOM 716 CG GLU A 680 1.954 21.300 110.699 1.00 38.21 C ATOM 717 CD GLU A 680 1.472 22.740 110.611 1.00 50.88 C ATOM 718 OE1 GLU A 680 2.307 23.667 110.710 1.00 51.77 O ATOM 719 OE2 GLU A 680 0.250 22.944 110.450 1.00 57.80 O ATOM 720 H GLU A 680 3.515 19.326 108.742 1.00 0.00 H ATOM 721 N GLY A 681 6.271 20.580 109.308 1.00 33.28 N ATOM 722 CA GLY A 681 7.709 20.707 109.383 1.00 38.29 C ATOM 723 C GLY A 681 8.310 19.467 110.013 1.00 34.55 C ATOM 724 O GLY A 681 7.639 18.453 110.200 1.00 31.06 O ATOM 725 H GLY A 681 5.842 19.633 109.318 1.00 0.00 H ATOM 726 N VAL A 682 9.598 19.577 110.340 1.00 32.07 N ATOM 727 CA VAL A 682 10.347 18.456 110.879 1.00 29.32 C ATOM 728 C VAL A 682 11.119 18.913 112.109 1.00 30.98 C ATOM 729 O VAL A 682 11.416 20.096 112.288 1.00 32.78 O ATOM 730 CB VAL A 682 11.309 17.828 109.852 1.00 36.17 C ATOM 731 CG1 VAL A 682 10.529 17.293 108.665 1.00 33.50 C ATOM 732 CG2 VAL A 682 12.339 18.855 109.395 1.00 40.07 C ATOM 733 H VAL A 682 10.079 20.489 110.205 1.00 0.00 H ATOM 734 N VAL A 683 11.424 17.949 112.967 1.00 30.23 N ATOM 735 CA VAL A 683 12.326 18.148 114.095 1.00 30.60 C ATOM 736 C VAL A 683 13.539 17.267 113.829 1.00 37.75 C ATOM 737 O VAL A 683 13.439 16.034 113.895 1.00 36.16 O ATOM 738 CB VAL A 683 11.657 17.798 115.429 1.00 30.53 C ATOM 739 CG1 VAL A 683 12.649 17.981 116.565 1.00 32.98 C ATOM 740 CG2 VAL A 683 10.441 18.673 115.661 1.00 30.11 C ATOM 741 H VAL A 683 11.001 17.009 112.829 1.00 0.00 H ATOM 742 N THR A 684 14.680 17.896 113.494 1.00 42.20 N ATOM 743 CA THR A 684 15.904 17.178 113.136 1.00 45.39 C ATOM 744 C THR A 684 17.132 17.563 113.948 1.00 54.75 C ATOM 745 O THR A 684 18.131 16.837 113.891 1.00 52.50 O ATOM 746 CB THR A 684 16.242 17.368 111.649 1.00 51.43 C ATOM 747 OG1 THR A 684 16.410 18.764 111.371 1.00 53.25 O ATOM 748 CG2 THR A 684 15.137 16.812 110.779 1.00 43.59 C ATOM 749 HG1 THR A 684 15.571 19.245 111.583 1.00 0.00 H ATOM 750 H THR A 684 14.693 18.936 113.489 1.00 0.00 H ATOM 751 N ASN A 685 17.106 18.675 114.680 1.00 51.56 N ATOM 752 CA ASN A 685 18.244 19.078 115.497 1.00 54.06 C ATOM 753 C ASN A 685 18.254 18.411 116.865 1.00 57.65 C ATOM 754 O ASN A 685 19.172 18.662 117.655 1.00 60.36 O ATOM 755 CB ASN A 685 18.273 20.600 115.658 1.00 53.13 C ATOM 756 CG ASN A 685 18.618 21.314 114.368 1.00 58.57 C ATOM 757 OD1 ASN A 685 19.286 20.756 113.495 1.00 64.63 O ATOM 758 ND2 ASN A 685 18.161 22.555 114.237 1.00 63.33 N ATOM 759 HD22 ASN A 685 17.601 22.986 115.000 1.00 0.00 H ATOM 760 HD21 ASN A 685 18.363 23.095 113.372 1.00 0.00 H ATOM 761 H ASN A 685 16.253 19.270 114.669 1.00 0.00 H ATOM 762 N SER A 686 17.262 17.574 117.160 1.00 52.91 N ATOM 763 CA SER A 686 17.165 16.884 118.435 1.00 47.11 C ATOM 764 C SER A 686 16.598 15.491 118.197 1.00 49.01 C ATOM 765 O SER A 686 16.170 15.146 117.091 1.00 50.09 O ATOM 766 CB SER A 686 16.279 17.657 119.422 1.00 47.33 C ATOM 767 OG SER A 686 15.075 18.068 118.788 1.00 44.60 O ATOM 768 HG SER A 686 14.583 17.271 118.468 1.00 0.00 H ATOM 769 H SER A 686 16.524 17.407 116.447 1.00 0.00 H ATOM 770 N MET A 687 16.608 14.690 119.256 1.00 41.99 N ATOM 771 CA MET A 687 16.044 13.350 119.248 1.00 42.83 C ATOM 772 C MET A 687 14.840 13.383 120.184 1.00 42.77 C ATOM 773 O MET A 687 14.918 13.991 121.251 1.00 43.01 O ATOM 774 CB MET A 687 17.095 12.354 119.745 1.00 44.70 C ATOM 775 CG MET A 687 16.656 10.902 119.766 1.00 50.78 C ATOM 776 SD MET A 687 17.903 9.820 120.502 1.00 72.61 S ATOM 777 CE MET A 687 18.085 10.527 122.153 1.00 32.65 C ATOM 778 H MET A 687 17.041 15.039 120.135 1.00 0.00 H ATOM 779 N PRO A 688 13.704 12.773 119.785 1.00 43.91 N ATOM 780 CA PRO A 688 13.414 12.012 118.560 1.00 42.26 C ATOM 781 C PRO A 688 13.350 12.898 117.333 1.00 39.57 C ATOM 782 O PRO A 688 13.019 14.079 117.433 1.00 34.66 O ATOM 783 CB PRO A 688 12.002 11.453 118.808 1.00 40.27 C ATOM 784 CG PRO A 688 11.665 11.794 120.238 1.00 40.55 C ATOM 785 CD PRO A 688 12.487 12.981 120.584 1.00 42.21 C ATOM 786 N VAL A 689 13.672 12.327 116.191 1.00 37.68 N ATOM 787 CA VAL A 689 13.401 12.984 114.918 1.00 33.72 C ATOM 788 C VAL A 689 11.914 12.854 114.625 1.00 33.30 C ATOM 789 O VAL A 689 11.302 11.817 114.909 1.00 32.27 O ATOM 790 CB VAL A 689 14.265 12.366 113.805 1.00 43.31 C ATOM 791 CG1 VAL A 689 14.052 13.118 112.505 1.00 37.70 C ATOM 792 CG2 VAL A 689 15.734 12.389 114.208 1.00 49.27 C ATOM 793 H VAL A 689 14.127 11.392 116.197 1.00 0.00 H ATOM 794 N MET A 690 11.310 13.913 114.083 1.00 31.21 N ATOM 795 CA MET A 690 9.862 13.938 113.918 1.00 31.90 C ATOM 796 C MET A 690 9.464 14.559 112.588 1.00 32.61 C ATOM 797 O MET A 690 10.141 15.448 112.061 1.00 31.35 O ATOM 798 CB MET A 690 9.181 14.720 115.041 1.00 31.40 C ATOM 799 CG MET A 690 9.458 14.165 116.417 1.00 30.21 C ATOM 800 SD MET A 690 8.542 15.083 117.668 1.00 36.56 S ATOM 801 CE MET A 690 9.852 15.425 118.833 1.00 31.33 C ATOM 802 H MET A 690 11.878 14.728 113.775 1.00 0.00 H ATOM 803 N ILE A 691 8.343 14.076 112.051 1.00 28.57 N ATOM 804 CA ILE A 691 7.642 14.712 110.942 1.00 30.88 C ATOM 805 C ILE A 691 6.260 15.093 111.448 1.00 27.29 C ATOM 806 O ILE A 691 5.559 14.256 112.036 1.00 30.66 O ATOM 807 CB ILE A 691 7.525 13.777 109.726 1.00 28.18 C ATOM 808 CG1 ILE A 691 8.901 13.338 109.233 1.00 32.88 C ATOM 809 CG2 ILE A 691 6.747 14.468 108.604 1.00 29.07 C ATOM 810 CD1 ILE A 691 8.845 12.228 108.192 1.00 31.92 C ATOM 811 H ILE A 691 7.947 13.198 112.444 1.00 0.00 H ATOM 812 N LEU A 692 5.883 16.353 111.254 1.00 27.02 N ATOM 813 CA LEU A 692 4.627 16.889 111.758 1.00 27.92 C ATOM 814 C LEU A 692 3.741 17.286 110.585 1.00 30.84 C ATOM 815 O LEU A 692 4.204 17.944 109.645 1.00 30.54 O ATOM 816 CB LEU A 692 4.857 18.111 112.648 1.00 29.65 C ATOM 817 CG LEU A 692 5.329 17.857 114.087 1.00 29.03 C ATOM 818 CD1 LEU A 692 6.755 17.335 114.120 1.00 34.45 C ATOM 819 CD2 LEU A 692 5.190 19.134 114.891 1.00 30.88 C ATOM 820 H LEU A 692 6.513 16.984 110.719 1.00 0.00 H ATOM 821 N THR A 693 2.474 16.885 110.641 1.00 28.08 N ATOM 822 CA THR A 693 1.457 17.375 109.719 1.00 30.10 C ATOM 823 C THR A 693 0.305 17.966 110.513 1.00 30.79 C ATOM 824 O THR A 693 0.197 17.802 111.732 1.00 29.34 O ATOM 825 CB THR A 693 0.892 16.272 108.804 1.00 28.80 C ATOM 826 OG1 THR A 693 0.134 15.335 109.584 1.00 27.51 O ATOM 827 CG2 THR A 693 1.995 15.550 108.047 1.00 28.98 C ATOM 828 HG1 THR A 693 -0.614 15.807 110.029 1.00 0.00 H ATOM 829 H THR A 693 2.199 16.196 111.370 1.00 0.00 H ATOM 830 N GLU A 694 -0.587 18.640 109.794 1.00 30.50 N ATOM 831 CA GLU A 694 -1.855 19.017 110.386 1.00 28.83 C ATOM 832 C GLU A 694 -2.583 17.767 110.868 1.00 27.34 C ATOM 833 O GLU A 694 -2.305 16.641 110.443 1.00 29.95 O ATOM 834 CB GLU A 694 -2.729 19.719 109.345 1.00 34.56 C ATOM 835 CG GLU A 694 -2.932 18.882 108.086 1.00 33.89 C ATOM 836 CD GLU A 694 -3.721 19.600 106.996 1.00 38.34 C ATOM 837 OE1 GLU A 694 -4.560 20.460 107.341 1.00 38.51 O ATOM 838 OE2 GLU A 694 -3.496 19.298 105.796 1.00 33.47 O ATOM 839 H GLU A 694 -0.375 18.896 108.809 1.00 0.00 H ATOM 840 N PHE A 695 -3.504 17.976 111.791 1.00 30.95 N ATOM 841 CA PHE A 695 -4.317 16.916 112.358 1.00 31.12 C ATOM 842 C PHE A 695 -5.737 17.110 111.854 1.00 34.62 C ATOM 843 O PHE A 695 -6.247 18.235 111.829 1.00 40.45 O ATOM 844 CB PHE A 695 -4.284 16.983 113.888 1.00 31.46 C ATOM 845 CG PHE A 695 -4.950 15.815 114.566 1.00 29.70 C ATOM 846 CD1 PHE A 695 -4.268 14.620 114.746 1.00 29.89 C ATOM 847 CD2 PHE A 695 -6.261 15.910 115.018 1.00 34.80 C ATOM 848 CE1 PHE A 695 -4.878 13.540 115.359 1.00 33.52 C ATOM 849 CE2 PHE A 695 -6.876 14.834 115.639 1.00 35.95 C ATOM 850 CZ PHE A 695 -6.185 13.646 115.806 1.00 35.04 C ATOM 851 H PHE A 695 -3.654 18.948 112.128 1.00 0.00 H ATOM 852 N MET A 696 -6.356 16.034 111.399 1.00 28.59 N ATOM 853 CA MET A 696 -7.679 16.075 110.797 1.00 27.94 C ATOM 854 C MET A 696 -8.718 15.505 111.730 1.00 25.51 C ATOM 855 O MET A 696 -8.670 14.357 112.036 1.00 29.27 O ATOM 856 CB MET A 696 -7.589 15.347 109.485 1.00 29.96 C ATOM 857 CG MET A 696 -6.438 15.871 108.661 1.00 37.82 C ATOM 858 SD MET A 696 -6.822 17.392 107.848 1.00 41.23 S ATOM 859 CE MET A 696 -7.754 16.747 106.491 1.00 55.03 C ATOM 860 H MET A 696 -5.874 15.115 111.475 1.00 0.00 H ATOM 861 N GLU A 697 -9.715 16.312 112.064 1.00 28.40 N ATOM 862 CA GLU A 697 -10.626 15.993 113.168 1.00 34.04 C ATOM 863 C GLU A 697 -11.380 14.685 112.952 1.00 31.50 C ATOM 864 O GLU A 697 -11.678 13.966 113.913 1.00 29.68 O ATOM 865 CB GLU A 697 -11.628 17.132 113.371 1.00 39.48 C ATOM 866 CG GLU A 697 -12.797 16.756 114.281 1.00 51.10 C ATOM 867 CD GLU A 697 -13.852 17.840 114.388 1.00 54.35 C ATOM 868 OE1 GLU A 697 -14.965 17.634 113.855 1.00 53.96 O ATOM 869 OE2 GLU A 697 -13.574 18.890 115.005 1.00 56.47 O ATOM 870 H GLU A 697 -9.855 17.193 111.530 1.00 0.00 H ATOM 871 N ASN A 698 -11.723 14.364 111.706 1.00 28.25 N ATOM 872 CA ASN A 698 -12.546 13.192 111.438 1.00 30.42 C ATOM 873 C ASN A 698 -11.743 11.961 111.037 1.00 26.05 C ATOM 874 O ASN A 698 -12.340 10.929 110.703 1.00 29.33 O ATOM 875 CB ASN A 698 -13.639 13.519 110.415 1.00 29.21 C ATOM 876 CG ASN A 698 -14.735 14.378 111.009 1.00 32.24 C ATOM 877 OD1 ASN A 698 -15.287 14.044 112.061 1.00 32.20 O ATOM 878 ND2 ASN A 698 -15.032 15.502 110.368 1.00 33.75 N ATOM 879 HD22 ASN A 698 -14.540 15.742 109.484 1.00 0.00 H ATOM 880 HD21 ASN A 698 -15.757 16.143 110.750 1.00 0.00 H ATOM 881 H ASN A 698 -11.400 14.957 110.915 1.00 0.00 H ATOM 882 N GLY A 699 -10.413 12.037 111.085 1.00 25.55 N ATOM 883 CA GLY A 699 -9.564 10.887 110.827 1.00 26.64 C ATOM 884 C GLY A 699 -9.698 10.355 109.401 1.00 23.78 C ATOM 885 O GLY A 699 -10.023 11.082 108.452 1.00 25.59 O ATOM 886 H GLY A 699 -9.969 12.949 111.315 1.00 0.00 H ATOM 887 N ALA A 700 -9.458 9.053 109.263 1.00 23.82 N ATOM 888 CA ALA A 700 -9.454 8.413 107.953 1.00 23.12 C ATOM 889 C ALA A 700 -10.859 8.313 107.371 1.00 24.40 C ATOM 890 O ALA A 700 -11.840 8.065 108.076 1.00 24.40 O ATOM 891 CB ALA A 700 -8.842 7.016 108.045 1.00 26.49 C ATOM 892 H ALA A 700 -9.269 8.479 110.109 1.00 0.00 H ATOM 893 N LEU A 701 -10.931 8.450 106.045 1.00 23.39 N ATOM 894 CA LEU A 701 -12.218 8.524 105.364 1.00 24.19 C ATOM 895 C LEU A 701 -13.022 7.231 105.494 1.00 25.02 C ATOM 896 O LEU A 701 -14.249 7.275 105.642 1.00 24.75 O ATOM 897 CB LEU A 701 -11.975 8.866 103.892 1.00 22.26 C ATOM 898 CG LEU A 701 -13.184 8.977 102.967 1.00 23.05 C ATOM 899 CD1 LEU A 701 -14.188 10.025 103.433 1.00 25.76 C ATOM 900 CD2 LEU A 701 -12.650 9.291 101.585 1.00 23.77 C ATOM 901 H LEU A 701 -10.054 8.505 105.488 1.00 0.00 H ATOM 902 N ASP A 702 -12.369 6.067 105.402 1.00 24.41 N ATOM 903 CA ASP A 702 -13.141 4.825 105.378 1.00 24.18 C ATOM 904 C ASP A 702 -13.850 4.598 106.703 1.00 24.74 C ATOM 905 O ASP A 702 -15.040 4.275 106.730 1.00 25.24 O ATOM 906 CB ASP A 702 -12.276 3.618 104.999 1.00 26.41 C ATOM 907 CG ASP A 702 -11.199 3.308 106.014 1.00 29.08 C ATOM 908 OD1 ASP A 702 -10.543 4.243 106.513 1.00 28.94 O ATOM 909 OD2 ASP A 702 -11.004 2.110 106.312 1.00 34.18 O ATOM 910 H ASP A 702 -11.331 6.046 105.348 1.00 0.00 H ATOM 911 N SER A 703 -13.139 4.800 107.810 1.00 24.61 N ATOM 912 CA SER A 703 -13.744 4.610 109.126 1.00 24.84 C ATOM 913 C SER A 703 -14.735 5.720 109.442 1.00 26.35 C ATOM 914 O SER A 703 -15.764 5.464 110.076 1.00 26.87 O ATOM 915 CB SER A 703 -12.650 4.522 110.190 1.00 24.64 C ATOM 916 OG SER A 703 -11.811 5.657 110.101 1.00 31.00 O ATOM 917 HG SER A 703 -12.348 6.475 110.247 1.00 0.00 H ATOM 918 H SER A 703 -12.145 5.096 107.737 1.00 0.00 H ATOM 919 N PHE A 704 -14.464 6.942 108.979 1.00 24.00 N ATOM 920 CA PHE A 704 -15.412 8.040 109.141 1.00 24.85 C ATOM 921 C PHE A 704 -16.747 7.719 108.472 1.00 27.42 C ATOM 922 O PHE A 704 -17.819 7.915 109.058 1.00 25.61 O ATOM 923 CB PHE A 704 -14.799 9.325 108.574 1.00 24.61 C ATOM 924 CG PHE A 704 -15.707 10.518 108.623 1.00 27.07 C ATOM 925 CD1 PHE A 704 -16.157 11.019 109.836 1.00 31.65 C ATOM 926 CD2 PHE A 704 -16.071 11.179 107.457 1.00 30.33 C ATOM 927 CE1 PHE A 704 -16.984 12.136 109.881 1.00 32.23 C ATOM 928 CE2 PHE A 704 -16.896 12.299 107.500 1.00 30.78 C ATOM 929 CZ PHE A 704 -17.352 12.775 108.716 1.00 36.17 C ATOM 930 H PHE A 704 -13.561 7.115 108.494 1.00 0.00 H ATOM 931 N LEU A 705 -16.707 7.219 107.240 1.00 24.57 N ATOM 932 CA LEU A 705 -17.948 6.904 106.550 1.00 24.40 C ATOM 933 C LEU A 705 -18.662 5.717 107.179 1.00 24.24 C ATOM 934 O LEU A 705 -19.898 5.691 107.222 1.00 27.71 O ATOM 935 CB LEU A 705 -17.649 6.624 105.077 1.00 24.81 C ATOM 936 CG LEU A 705 -17.273 7.885 104.310 1.00 27.66 C ATOM 937 CD1 LEU A 705 -16.989 7.550 102.844 1.00 26.99 C ATOM 938 CD2 LEU A 705 -18.373 8.941 104.387 1.00 30.03 C ATOM 939 H LEU A 705 -15.793 7.054 106.772 1.00 0.00 H ATOM 940 N ARG A 706 -17.913 4.711 107.655 1.00 23.79 N ATOM 941 CA ARG A 706 -18.563 3.573 108.300 1.00 23.90 C ATOM 942 C ARG A 706 -19.286 4.005 109.565 1.00 25.87 C ATOM 943 O ARG A 706 -20.410 3.561 109.821 1.00 29.38 O ATOM 944 CB ARG A 706 -17.558 2.469 108.622 1.00 25.10 C ATOM 945 CG ARG A 706 -17.125 1.688 107.390 1.00 27.41 C ATOM 946 CD ARG A 706 -16.400 0.415 107.795 1.00 30.68 C ATOM 947 NE ARG A 706 -15.126 0.709 108.438 1.00 30.02 N ATOM 948 CZ ARG A 706 -13.987 0.885 107.778 1.00 33.26 C ATOM 949 NH1 ARG A 706 -13.970 0.787 106.454 1.00 30.97 N ATOM 950 NH2 ARG A 706 -12.870 1.152 108.434 1.00 35.38 N ATOM 951 HE ARG A 706 -15.107 0.786 109.475 1.00 0.00 H ATOM 952 HH12 ARG A 706 -13.080 0.924 105.934 1.00 0.00 H ATOM 953 HH11 ARG A 706 -14.847 0.573 105.937 1.00 0.00 H ATOM 954 HH22 ARG A 706 -11.981 1.289 107.912 1.00 0.00 H ATOM 955 HH21 ARG A 706 -12.881 1.225 109.471 1.00 0.00 H ATOM 956 H ARG A 706 -16.877 4.741 107.565 1.00 0.00 H ATOM 957 N LEU A 707 -18.653 4.871 110.364 1.00 24.85 N ATOM 958 CA LEU A 707 -19.296 5.361 111.581 1.00 26.78 C ATOM 959 C LEU A 707 -20.543 6.169 111.257 1.00 29.69 C ATOM 960 O LEU A 707 -21.536 6.109 111.996 1.00 33.15 O ATOM 961 CB LEU A 707 -18.294 6.213 112.351 1.00 26.28 C ATOM 962 CG LEU A 707 -18.819 6.847 113.636 1.00 29.28 C ATOM 963 CD1 LEU A 707 -19.313 5.770 114.600 1.00 29.74 C ATOM 964 CD2 LEU A 707 -17.719 7.674 114.264 1.00 31.69 C ATOM 965 H LEU A 707 -17.697 5.198 110.117 1.00 0.00 H ATOM 966 N ASN A 708 -20.528 6.890 110.138 1.00 28.08 N ATOM 967 CA ASN A 708 -21.604 7.786 109.734 1.00 28.15 C ATOM 968 C ASN A 708 -22.360 7.245 108.527 1.00 29.74 C ATOM 969 O ASN A 708 -22.799 7.998 107.658 1.00 33.46 O ATOM 970 CB ASN A 708 -21.078 9.197 109.502 1.00 32.96 C ATOM 971 CG ASN A 708 -20.541 9.824 110.774 1.00 37.71 C ATOM 972 OD1 ASN A 708 -21.310 10.325 111.605 1.00 39.14 O ATOM 973 ND2 ASN A 708 -19.221 9.768 110.959 1.00 33.46 N ATOM 974 HD22 ASN A 708 -18.612 9.338 110.234 1.00 0.00 H ATOM 975 HD21 ASN A 708 -18.801 10.155 111.828 1.00 0.00 H ATOM 976 H ASN A 708 -19.699 6.809 109.515 1.00 0.00 H ATOM 977 N ASP A 709 -22.539 5.927 108.504 1.00 30.14 N ATOM 978 CA ASP A 709 -23.193 5.241 107.400 1.00 28.44 C ATOM 979 C ASP A 709 -24.542 5.875 107.086 1.00 32.09 C ATOM 980 O ASP A 709 -25.399 6.030 107.964 1.00 33.83 O ATOM 981 CB ASP A 709 -23.380 3.777 107.788 1.00 31.62 C ATOM 982 CG ASP A 709 -23.830 2.911 106.636 1.00 38.09 C ATOM 983 OD1 ASP A 709 -24.169 3.445 105.559 1.00 37.84 O ATOM 984 OD2 ASP A 709 -23.860 1.679 106.823 1.00 50.23 O ATOM 985 H ASP A 709 -22.197 5.364 109.309 1.00 0.00 H ATOM 986 N GLY A 710 -24.716 6.248 105.825 1.00 30.74 N ATOM 987 CA GLY A 710 -25.962 6.802 105.341 1.00 31.59 C ATOM 988 C GLY A 710 -26.231 8.234 105.741 1.00 38.35 C ATOM 989 O GLY A 710 -27.279 8.774 105.367 1.00 41.91 O ATOM 990 H GLY A 710 -23.926 6.138 105.158 1.00 0.00 H ATOM 991 N GLN A 711 -25.320 8.880 106.466 1.00 32.69 N ATOM 992 CA GLN A 711 -25.587 10.201 107.012 1.00 38.04 C ATOM 993 C GLN A 711 -25.085 11.341 106.138 1.00 36.90 C ATOM 994 O GLN A 711 -25.115 12.497 106.576 1.00 37.76 O ATOM 995 CB GLN A 711 -25.024 10.315 108.430 1.00 40.90 C ATOM 996 CG GLN A 711 -25.576 9.270 109.385 1.00 44.03 C ATOM 997 CD GLN A 711 -27.063 9.027 109.191 1.00 52.26 C ATOM 998 OE1 GLN A 711 -27.868 9.960 109.241 1.00 60.41 O ATOM 999 NE2 GLN A 711 -27.436 7.769 108.962 1.00 52.08 N ATOM 1000 HE22 GLN A 711 -26.723 7.013 108.928 1.00 0.00 H ATOM 1001 HE21 GLN A 711 -28.441 7.543 108.817 1.00 0.00 H ATOM 1002 H GLN A 711 -24.399 8.431 106.645 1.00 0.00 H ATOM 1003 N PHE A 712 -24.634 11.058 104.917 1.00 30.89 N ATOM 1004 CA PHE A 712 -24.226 12.104 103.993 1.00 35.46 C ATOM 1005 C PHE A 712 -25.030 11.977 102.712 1.00 30.59 C ATOM 1006 O PHE A 712 -25.346 10.866 102.275 1.00 32.86 O ATOM 1007 CB PHE A 712 -22.721 12.047 103.711 1.00 31.94 C ATOM 1008 CG PHE A 712 -21.891 12.237 104.942 1.00 35.10 C ATOM 1009 CD1 PHE A 712 -21.137 11.199 105.457 1.00 36.13 C ATOM 1010 CD2 PHE A 712 -21.910 13.449 105.610 1.00 35.81 C ATOM 1011 CE1 PHE A 712 -20.394 11.375 106.614 1.00 35.92 C ATOM 1012 CE2 PHE A 712 -21.171 13.635 106.771 1.00 38.14 C ATOM 1013 CZ PHE A 712 -20.409 12.599 107.266 1.00 38.17 C ATOM 1014 H PHE A 712 -24.572 10.064 104.617 1.00 0.00 H ATOM 1015 N THR A 713 -25.386 13.120 102.140 1.00 30.75 N ATOM 1016 CA THR A 713 -26.138 13.130 100.901 1.00 31.31 C ATOM 1017 C THR A 713 -25.213 12.825 99.727 1.00 30.79 C ATOM 1018 O THR A 713 -23.986 12.895 99.835 1.00 29.80 O ATOM 1019 CB THR A 713 -26.774 14.501 100.677 1.00 31.15 C ATOM 1020 OG1 THR A 713 -25.744 15.483 100.509 1.00 34.45 O ATOM 1021 CG2 THR A 713 -27.669 14.880 101.854 1.00 36.80 C ATOM 1022 HG1 THR A 713 -26.157 16.371 100.364 1.00 0.00 H ATOM 1023 H THR A 713 -25.122 14.021 102.587 1.00 0.00 H ATOM 1024 N VAL A 714 -25.821 12.485 98.592 1.00 33.85 N ATOM 1025 CA VAL A 714 -25.028 12.228 97.395 1.00 29.28 C ATOM 1026 C VAL A 714 -24.168 13.436 97.051 1.00 29.05 C ATOM 1027 O VAL A 714 -22.994 13.295 96.692 1.00 29.15 O ATOM 1028 CB VAL A 714 -25.932 11.808 96.219 1.00 33.69 C ATOM 1029 CG1 VAL A 714 -25.144 11.819 94.929 1.00 35.85 C ATOM 1030 CG2 VAL A 714 -26.510 10.428 96.468 1.00 39.07 C ATOM 1031 H VAL A 714 -26.857 12.403 98.559 1.00 0.00 H ATOM 1032 N ILE A 715 -24.724 14.644 97.174 1.00 31.51 N ATOM 1033 CA ILE A 715 -23.946 15.819 96.792 1.00 32.37 C ATOM 1034 C ILE A 715 -22.765 16.024 97.736 1.00 32.72 C ATOM 1035 O ILE A 715 -21.701 16.484 97.306 1.00 31.48 O ATOM 1036 CB ILE A 715 -24.831 17.072 96.638 1.00 38.43 C ATOM 1037 CG1 ILE A 715 -24.035 18.205 95.989 1.00 42.19 C ATOM 1038 CG2 ILE A 715 -25.393 17.513 97.972 1.00 39.07 C ATOM 1039 CD1 ILE A 715 -23.626 17.907 94.556 1.00 41.28 C ATOM 1040 H ILE A 715 -25.694 14.746 97.535 1.00 0.00 H ATOM 1041 N GLN A 716 -22.924 15.684 99.021 1.00 32.14 N ATOM 1042 CA GLN A 716 -21.802 15.743 99.957 1.00 29.37 C ATOM 1043 C GLN A 716 -20.730 14.723 99.600 1.00 26.97 C ATOM 1044 O GLN A 716 -19.534 15.043 99.611 1.00 27.58 O ATOM 1045 CB GLN A 716 -22.287 15.502 101.384 1.00 30.16 C ATOM 1046 CG GLN A 716 -23.057 16.663 101.961 1.00 35.04 C ATOM 1047 CD GLN A 716 -23.530 16.385 103.371 1.00 34.81 C ATOM 1048 OE1 GLN A 716 -24.283 15.438 103.611 1.00 35.65 O ATOM 1049 NE2 GLN A 716 -23.091 17.210 104.313 1.00 37.00 N ATOM 1050 HE22 GLN A 716 -22.457 17.995 104.062 1.00 0.00 H ATOM 1051 HE21 GLN A 716 -23.381 17.071 105.302 1.00 0.00 H ATOM 1052 H GLN A 716 -23.858 15.374 99.358 1.00 0.00 H ATOM 1053 N LEU A 717 -21.142 13.492 99.279 1.00 29.16 N ATOM 1054 CA LEU A 717 -20.177 12.470 98.877 1.00 25.39 C ATOM 1055 C LEU A 717 -19.462 12.864 97.595 1.00 26.03 C ATOM 1056 O LEU A 717 -18.251 12.660 97.463 1.00 25.59 O ATOM 1057 CB LEU A 717 -20.871 11.120 98.714 1.00 25.47 C ATOM 1058 CG LEU A 717 -21.569 10.631 99.986 1.00 25.90 C ATOM 1059 CD1 LEU A 717 -22.456 9.453 99.630 1.00 29.82 C ATOM 1060 CD2 LEU A 717 -20.542 10.236 101.039 1.00 28.33 C ATOM 1061 H LEU A 717 -22.155 13.260 99.316 1.00 0.00 H ATOM 1062 N VAL A 718 -20.193 13.451 96.645 1.00 26.23 N ATOM 1063 CA VAL A 718 -19.566 13.906 95.408 1.00 26.61 C ATOM 1064 C VAL A 718 -18.547 15.004 95.695 1.00 27.01 C ATOM 1065 O VAL A 718 -17.470 15.050 95.086 1.00 28.93 O ATOM 1066 CB VAL A 718 -20.645 14.338 94.398 1.00 28.32 C ATOM 1067 CG1 VAL A 718 -20.006 15.028 93.228 1.00 29.42 C ATOM 1068 CG2 VAL A 718 -21.402 13.114 93.922 1.00 30.91 C ATOM 1069 H VAL A 718 -21.215 13.585 96.787 1.00 0.00 H ATOM 1070 N GLY A 719 -18.854 15.888 96.648 1.00 27.27 N ATOM 1071 CA GLY A 719 -17.887 16.900 97.035 1.00 31.63 C ATOM 1072 C GLY A 719 -16.603 16.301 97.580 1.00 25.29 C ATOM 1073 O GLY A 719 -15.507 16.774 97.270 1.00 28.17 O ATOM 1074 H GLY A 719 -19.784 15.852 97.112 1.00 0.00 H ATOM 1075 N MET A 720 -16.720 15.256 98.407 1.00 26.14 N ATOM 1076 CA MET A 720 -15.526 14.560 98.889 1.00 26.65 C ATOM 1077 C MET A 720 -14.755 13.958 97.724 1.00 25.06 C ATOM 1078 O MET A 720 -13.530 14.089 97.637 1.00 24.75 O ATOM 1079 CB MET A 720 -15.923 13.457 99.861 1.00 27.04 C ATOM 1080 CG MET A 720 -16.615 13.948 101.128 1.00 26.21 C ATOM 1081 SD MET A 720 -17.243 12.541 102.066 1.00 31.12 S ATOM 1082 CE MET A 720 -18.117 13.362 103.398 1.00 36.86 C ATOM 1083 H MET A 720 -17.663 14.937 98.709 1.00 0.00 H ATOM 1084 N LEU A 721 -15.469 13.295 96.812 1.00 24.44 N ATOM 1085 CA LEU A 721 -14.818 12.677 95.660 1.00 23.43 C ATOM 1086 C LEU A 721 -14.150 13.720 94.774 1.00 23.85 C ATOM 1087 O LEU A 721 -13.065 13.488 94.238 1.00 24.16 O ATOM 1088 CB LEU A 721 -15.827 11.837 94.875 1.00 25.89 C ATOM 1089 CG LEU A 721 -16.183 10.548 95.620 1.00 26.98 C ATOM 1090 CD1 LEU A 721 -17.244 9.769 94.872 1.00 31.05 C ATOM 1091 CD2 LEU A 721 -14.946 9.705 95.850 1.00 28.36 C ATOM 1092 H LEU A 721 -16.500 13.218 96.923 1.00 0.00 H ATOM 1093 N ARG A 722 -14.769 14.890 94.632 1.00 24.86 N ATOM 1094 CA ARG A 722 -14.163 15.931 93.814 1.00 25.66 C ATOM 1095 C ARG A 722 -12.893 16.460 94.464 1.00 26.75 C ATOM 1096 O ARG A 722 -11.893 16.707 93.782 1.00 25.95 O ATOM 1097 CB ARG A 722 -15.184 17.044 93.586 1.00 27.55 C ATOM 1098 CG ARG A 722 -14.884 17.946 92.426 1.00 29.38 C ATOM 1099 CD ARG A 722 -14.067 19.162 92.802 1.00 33.11 C ATOM 1100 NE ARG A 722 -13.898 20.038 91.640 1.00 34.00 N ATOM 1101 CZ ARG A 722 -12.934 20.944 91.506 1.00 39.07 C ATOM 1102 NH1 ARG A 722 -12.028 21.111 92.463 1.00 34.22 N ATOM 1103 NH2 ARG A 722 -12.877 21.686 90.402 1.00 33.63 N ATOM 1104 HE ARG A 722 -14.582 19.944 90.863 1.00 0.00 H ATOM 1105 HH12 ARG A 722 -11.277 21.822 92.350 1.00 0.00 H ATOM 1106 HH11 ARG A 722 -12.069 20.531 93.325 1.00 0.00 H ATOM 1107 HH22 ARG A 722 -12.126 22.396 90.291 1.00 0.00 H ATOM 1108 HH21 ARG A 722 -13.584 21.555 89.651 1.00 0.00 H ATOM 1109 H ARG A 722 -15.681 15.060 95.103 1.00 0.00 H ATOM 1110 N GLY A 723 -12.904 16.619 95.789 1.00 26.23 N ATOM 1111 CA GLY A 723 -11.691 17.046 96.468 1.00 26.66 C ATOM 1112 C GLY A 723 -10.559 16.055 96.286 1.00 23.62 C ATOM 1113 O GLY A 723 -9.421 16.434 95.990 1.00 24.85 O ATOM 1114 H GLY A 723 -13.773 16.439 96.331 1.00 0.00 H ATOM 1115 N ILE A 724 -10.859 14.766 96.463 1.00 24.29 N ATOM 1116 CA ILE A 724 -9.838 13.737 96.294 1.00 25.12 C ATOM 1117 C ILE A 724 -9.297 13.765 94.872 1.00 23.70 C ATOM 1118 O ILE A 724 -8.081 13.697 94.651 1.00 23.68 O ATOM 1119 CB ILE A 724 -10.416 12.360 96.659 1.00 21.86 C ATOM 1120 CG1 ILE A 724 -10.862 12.330 98.138 1.00 21.99 C ATOM 1121 CG2 ILE A 724 -9.401 11.253 96.352 1.00 23.81 C ATOM 1122 CD1 ILE A 724 -11.817 11.188 98.422 1.00 24.63 C ATOM 1123 H ILE A 724 -11.828 14.493 96.723 1.00 0.00 H ATOM 1124 N ALA A 725 -10.192 13.888 93.890 1.00 24.25 N ATOM 1125 CA ALA A 725 -9.757 13.917 92.501 1.00 24.01 C ATOM 1126 C ALA A 725 -8.888 15.135 92.218 1.00 24.52 C ATOM 1127 O ALA A 725 -7.928 15.053 91.439 1.00 24.85 O ATOM 1128 CB ALA A 725 -10.983 13.880 91.588 1.00 22.76 C ATOM 1129 H ALA A 725 -11.204 13.963 94.118 1.00 0.00 H ATOM 1130 N SER A 726 -9.208 16.279 92.834 1.00 23.48 N ATOM 1131 CA SER A 726 -8.389 17.475 92.642 1.00 24.98 C ATOM 1132 C SER A 726 -6.999 17.302 93.244 1.00 26.30 C ATOM 1133 O SER A 726 -5.996 17.696 92.634 1.00 27.61 O ATOM 1134 CB SER A 726 -9.095 18.706 93.215 1.00 26.31 C ATOM 1135 OG SER A 726 -8.364 19.886 92.917 1.00 31.17 O ATOM 1136 HG SER A 726 -8.836 20.670 93.295 1.00 0.00 H ATOM 1137 H SER A 726 -10.043 16.318 93.452 1.00 0.00 H ATOM 1138 N GLY A 727 -6.912 16.720 94.447 1.00 24.63 N ATOM 1139 CA GLY A 727 -5.606 16.399 94.995 1.00 26.64 C ATOM 1140 C GLY A 727 -4.812 15.473 94.090 1.00 22.77 C ATOM 1141 O GLY A 727 -3.623 15.693 93.847 1.00 25.01 O ATOM 1142 H GLY A 727 -7.774 16.499 94.985 1.00 0.00 H ATOM 1143 N MET A 728 -5.467 14.437 93.564 1.00 25.12 N ATOM 1144 CA MET A 728 -4.786 13.509 92.664 1.00 25.88 C ATOM 1145 C MET A 728 -4.391 14.175 91.353 1.00 24.65 C ATOM 1146 O MET A 728 -3.324 13.880 90.806 1.00 25.08 O ATOM 1147 CB MET A 728 -5.657 12.289 92.395 1.00 24.69 C ATOM 1148 CG MET A 728 -5.850 11.430 93.648 1.00 23.65 C ATOM 1149 SD MET A 728 -4.278 10.843 94.356 1.00 25.03 S ATOM 1150 CE MET A 728 -3.482 10.155 92.901 1.00 25.46 C ATOM 1151 H MET A 728 -6.470 14.289 93.796 1.00 0.00 H ATOM 1152 N ARG A 729 -5.236 15.062 90.827 1.00 24.35 N ATOM 1153 CA ARG A 729 -4.847 15.807 89.635 1.00 24.87 C ATOM 1154 C ARG A 729 -3.576 16.608 89.887 1.00 28.84 C ATOM 1155 O ARG A 729 -2.701 16.694 89.016 1.00 29.12 O ATOM 1156 CB ARG A 729 -5.980 16.730 89.211 1.00 25.82 C ATOM 1157 CG ARG A 729 -5.609 17.584 88.010 1.00 26.64 C ATOM 1158 CD ARG A 729 -6.710 18.541 87.661 1.00 28.32 C ATOM 1159 NE ARG A 729 -7.197 19.234 88.840 1.00 33.18 N ATOM 1160 CZ ARG A 729 -8.262 20.019 88.855 1.00 33.73 C ATOM 1161 NH1 ARG A 729 -8.620 20.585 89.985 1.00 20.46 N ATOM 1162 NH2 ARG A 729 -8.964 20.233 87.740 1.00 34.71 N ATOM 1163 HE ARG A 729 -6.675 19.105 89.730 1.00 0.00 H ATOM 1164 HH12 ARG A 729 -9.455 21.205 90.015 1.00 0.00 H ATOM 1165 HH11 ARG A 729 -8.069 20.413 90.850 1.00 0.00 H ATOM 1166 HH22 ARG A 729 -9.800 20.852 87.762 1.00 0.00 H ATOM 1167 HH21 ARG A 729 -8.675 19.781 86.849 1.00 0.00 H ATOM 1168 H ARG A 729 -6.166 15.222 91.264 1.00 0.00 H ATOM 1169 N TYR A 730 -3.452 17.187 91.083 1.00 27.60 N ATOM 1170 CA TYR A 730 -2.256 17.945 91.420 1.00 28.58 C ATOM 1171 C TYR A 730 -1.030 17.042 91.481 1.00 30.06 C ATOM 1172 O TYR A 730 0.032 17.377 90.942 1.00 30.05 O ATOM 1173 CB TYR A 730 -2.498 18.649 92.750 1.00 27.98 C ATOM 1174 CG TYR A 730 -1.306 19.374 93.315 1.00 31.18 C ATOM 1175 CD1 TYR A 730 -1.060 20.706 93.009 1.00 32.21 C ATOM 1176 CD2 TYR A 730 -0.441 18.729 94.182 1.00 33.18 C ATOM 1177 CE1 TYR A 730 0.032 21.371 93.554 1.00 35.90 C ATOM 1178 CE2 TYR A 730 0.644 19.378 94.733 1.00 35.10 C ATOM 1179 CZ TYR A 730 0.881 20.692 94.412 1.00 39.10 C ATOM 1180 OH TYR A 730 1.972 21.318 94.971 1.00 38.59 O ATOM 1181 HH TYR A 730 2.014 22.254 94.650 1.00 0.00 H ATOM 1182 H TYR A 730 -4.217 17.096 91.781 1.00 0.00 H ATOM 1183 N LEU A 731 -1.155 15.889 92.143 1.00 26.93 N ATOM 1184 CA LEU A 731 -0.043 14.947 92.209 1.00 27.07 C ATOM 1185 C LEU A 731 0.353 14.461 90.822 1.00 29.72 C ATOM 1186 O LEU A 731 1.544 14.376 90.499 1.00 28.78 O ATOM 1187 CB LEU A 731 -0.417 13.755 93.084 1.00 26.31 C ATOM 1188 CG LEU A 731 -0.569 14.065 94.557 1.00 24.86 C ATOM 1189 CD1 LEU A 731 -0.946 12.794 95.281 1.00 26.62 C ATOM 1190 CD2 LEU A 731 0.733 14.650 95.097 1.00 26.34 C ATOM 1191 H LEU A 731 -2.053 15.661 92.616 1.00 0.00 H ATOM 1192 N ALA A 732 -0.634 14.109 89.997 1.00 28.69 N ATOM 1193 CA ALA A 732 -0.328 13.632 88.654 1.00 27.24 C ATOM 1194 C ALA A 732 0.348 14.724 87.839 1.00 31.19 C ATOM 1195 O ALA A 732 1.264 14.449 87.055 1.00 32.08 O ATOM 1196 CB ALA A 732 -1.617 13.166 87.984 1.00 28.20 C ATOM 1197 H ALA A 732 -1.623 14.175 90.312 1.00 0.00 H ATOM 1198 N GLU A 733 -0.079 15.974 88.024 1.00 29.20 N ATOM 1199 CA GLU A 733 0.507 17.072 87.256 1.00 31.50 C ATOM 1200 C GLU A 733 1.992 17.233 87.561 1.00 36.56 C ATOM 1201 O GLU A 733 2.783 17.578 86.673 1.00 38.23 O ATOM 1202 CB GLU A 733 -0.257 18.366 87.521 1.00 34.21 C ATOM 1203 CG GLU A 733 0.094 19.480 86.555 1.00 44.41 C ATOM 1204 CD GLU A 733 -0.865 20.649 86.652 1.00 61.15 C ATOM 1205 OE1 GLU A 733 -2.085 20.410 86.806 1.00 73.40 O ATOM 1206 OE2 GLU A 733 -0.398 21.806 86.560 1.00 68.03 O ATOM 1207 H GLU A 733 -0.831 16.168 88.716 1.00 0.00 H ATOM 1208 N MET A 734 2.380 16.966 88.812 1.00 36.52 N ATOM 1209 CA MET A 734 3.760 16.973 89.280 1.00 38.03 C ATOM 1210 C MET A 734 4.517 15.697 88.940 1.00 38.13 C ATOM 1211 O MET A 734 5.692 15.586 89.310 1.00 39.73 O ATOM 1212 CB MET A 734 3.792 17.141 90.801 1.00 38.82 C ATOM 1213 CG MET A 734 3.575 18.551 91.303 1.00 39.82 C ATOM 1214 SD MET A 734 3.920 18.640 93.069 1.00 52.48 S ATOM 1215 CE MET A 734 5.435 17.684 93.162 1.00 45.81 C ATOM 1216 H MET A 734 1.640 16.735 89.505 1.00 0.00 H ATOM 1217 N SER A 735 3.879 14.736 88.270 1.00 33.84 N ATOM 1218 CA SER A 735 4.471 13.432 87.979 1.00 34.03 C ATOM 1219 C SER A 735 4.717 12.602 89.234 1.00 32.73 C ATOM 1220 O SER A 735 5.638 11.785 89.280 1.00 36.03 O ATOM 1221 CB SER A 735 5.732 13.535 87.112 1.00 38.77 C ATOM 1222 OG SER A 735 5.448 14.234 85.912 1.00 42.37 O ATOM 1223 HG SER A 735 5.130 15.146 86.130 1.00 0.00 H ATOM 1224 H SER A 735 2.912 14.924 87.938 1.00 0.00 H ATOM 1225 N TYR A 736 3.905 12.793 90.271 1.00 29.97 N ATOM 1226 CA TYR A 736 3.999 11.968 91.467 1.00 29.75 C ATOM 1227 C TYR A 736 2.936 10.879 91.393 1.00 29.99 C ATOM 1228 O TYR A 736 1.741 11.180 91.292 1.00 31.39 O ATOM 1229 CB TYR A 736 3.836 12.796 92.740 1.00 30.39 C ATOM 1230 CG TYR A 736 4.015 11.937 93.968 1.00 29.45 C ATOM 1231 CD1 TYR A 736 5.286 11.592 94.418 1.00 33.92 C ATOM 1232 CD2 TYR A 736 2.920 11.430 94.648 1.00 27.70 C ATOM 1233 CE1 TYR A 736 5.456 10.795 95.534 1.00 33.40 C ATOM 1234 CE2 TYR A 736 3.079 10.627 95.766 1.00 27.28 C ATOM 1235 CZ TYR A 736 4.350 10.306 96.196 1.00 31.11 C ATOM 1236 OH TYR A 736 4.527 9.504 97.305 1.00 30.62 O ATOM 1237 HH TYR A 736 4.101 8.625 97.146 1.00 0.00 H ATOM 1238 H TYR A 736 3.189 13.546 90.226 1.00 0.00 H ATOM 1239 N VAL A 737 3.375 9.624 91.402 1.00 27.82 N ATOM 1240 CA VAL A 737 2.477 8.475 91.383 1.00 27.56 C ATOM 1241 C VAL A 737 2.315 8.016 92.827 1.00 29.47 C ATOM 1242 O VAL A 737 3.307 7.747 93.521 1.00 28.24 O ATOM 1243 CB VAL A 737 3.032 7.354 90.490 1.00 28.87 C ATOM 1244 CG1 VAL A 737 2.107 6.145 90.480 1.00 31.28 C ATOM 1245 CG2 VAL A 737 3.257 7.863 89.068 1.00 31.09 C ATOM 1246 H VAL A 737 4.401 9.455 91.423 1.00 0.00 H ATOM 1247 N HIS A 738 1.069 7.949 93.290 1.00 25.83 N ATOM 1248 CA HIS A 738 0.812 7.685 94.704 1.00 25.33 C ATOM 1249 C HIS A 738 1.078 6.223 95.057 1.00 27.53 C ATOM 1250 O HIS A 738 1.759 5.930 96.050 1.00 27.46 O ATOM 1251 CB HIS A 738 -0.624 8.081 95.027 1.00 25.13 C ATOM 1252 CG HIS A 738 -0.943 8.018 96.485 1.00 24.97 C ATOM 1253 ND1 HIS A 738 -0.984 6.834 97.188 1.00 26.42 N ATOM 1254 CD2 HIS A 738 -1.248 8.995 97.369 1.00 26.80 C ATOM 1255 CE1 HIS A 738 -1.268 7.089 98.455 1.00 25.58 C ATOM 1256 NE2 HIS A 738 -1.441 8.392 98.589 1.00 26.73 N ATOM 1257 H HIS A 738 0.270 8.086 92.639 1.00 0.00 H ATOM 1258 N ARG A 739 0.529 5.297 94.259 1.00 27.55 N ATOM 1259 CA ARG A 739 0.719 3.848 94.360 1.00 28.02 C ATOM 1260 C ARG A 739 -0.149 3.169 95.416 1.00 27.35 C ATOM 1261 O ARG A 739 -0.317 1.945 95.386 1.00 29.69 O ATOM 1262 CB ARG A 739 2.185 3.459 94.576 1.00 28.97 C ATOM 1263 CG ARG A 739 3.121 3.886 93.472 1.00 33.05 C ATOM 1264 CD ARG A 739 4.482 3.264 93.714 1.00 37.91 C ATOM 1265 NE ARG A 739 5.325 3.309 92.525 1.00 38.81 N ATOM 1266 CZ ARG A 739 6.205 2.364 92.208 1.00 41.99 C ATOM 1267 NH1 ARG A 739 6.349 1.302 92.993 1.00 44.46 N ATOM 1268 NH2 ARG A 739 6.935 2.476 91.108 1.00 45.11 N ATOM 1269 HE ARG A 739 5.233 4.127 91.889 1.00 0.00 H ATOM 1270 HH12 ARG A 739 7.037 0.562 92.746 1.00 0.00 H ATOM 1271 HH11 ARG A 739 5.774 1.210 93.855 1.00 0.00 H ATOM 1272 HH22 ARG A 739 7.623 1.735 90.863 1.00 0.00 H ATOM 1273 HH21 ARG A 739 6.820 3.305 90.490 1.00 0.00 H ATOM 1274 H ARG A 739 -0.090 5.639 93.496 1.00 0.00 H ATOM 1275 N ASP A 740 -0.698 3.925 96.357 1.00 26.04 N ATOM 1276 CA ASP A 740 -1.548 3.303 97.369 1.00 24.98 C ATOM 1277 C ASP A 740 -2.764 4.159 97.688 1.00 28.62 C ATOM 1278 O ASP A 740 -3.148 4.326 98.851 1.00 25.71 O ATOM 1279 CB ASP A 740 -0.766 2.905 98.625 1.00 27.76 C ATOM 1280 CG ASP A 740 -1.579 2.005 99.553 1.00 36.01 C ATOM 1281 OD1 ASP A 740 -2.474 1.280 99.058 1.00 37.69 O ATOM 1282 OD2 ASP A 740 -1.332 2.028 100.774 1.00 39.28 O ATOM 1283 H ASP A 740 -0.525 4.950 96.374 1.00 0.00 H ATOM 1284 N LEU A 741 -3.412 4.690 96.658 1.00 26.35 N ATOM 1285 CA LEU A 741 -4.611 5.479 96.881 1.00 24.22 C ATOM 1286 C LEU A 741 -5.747 4.566 97.335 1.00 24.94 C ATOM 1287 O LEU A 741 -6.064 3.567 96.679 1.00 25.89 O ATOM 1288 CB LEU A 741 -4.970 6.242 95.610 1.00 23.69 C ATOM 1289 CG LEU A 741 -6.239 7.094 95.654 1.00 27.01 C ATOM 1290 CD1 LEU A 741 -6.113 8.131 96.745 1.00 26.10 C ATOM 1291 CD2 LEU A 741 -6.427 7.774 94.327 1.00 25.01 C ATOM 1292 H LEU A 741 -3.061 4.541 95.691 1.00 0.00 H ATOM 1293 N ALA A 742 -6.341 4.905 98.475 1.00 23.00 N ATOM 1294 CA ALA A 742 -7.382 4.114 99.124 1.00 24.99 C ATOM 1295 C ALA A 742 -8.046 5.016 100.150 1.00 22.46 C ATOM 1296 O ALA A 742 -7.425 5.965 100.628 1.00 24.35 O ATOM 1297 CB ALA A 742 -6.805 2.866 99.805 1.00 24.56 C ATOM 1298 H ALA A 742 -6.045 5.790 98.934 1.00 0.00 H ATOM 1299 N ALA A 743 -9.317 4.727 100.473 1.00 22.51 N ATOM 1300 CA ALA A 743 -10.024 5.568 101.447 1.00 22.61 C ATOM 1301 C ALA A 743 -9.308 5.630 102.799 1.00 25.30 C ATOM 1302 O ALA A 743 -9.351 6.664 103.469 1.00 23.84 O ATOM 1303 CB ALA A 743 -11.480 5.118 101.620 1.00 23.26 C ATOM 1304 H ALA A 743 -9.797 3.914 100.037 1.00 0.00 H ATOM 1305 N ARG A 744 -8.637 4.550 103.208 1.00 23.17 N ATOM 1306 CA ARG A 744 -7.867 4.557 104.457 1.00 22.14 C ATOM 1307 C ARG A 744 -6.697 5.539 104.431 1.00 24.27 C ATOM 1308 O ARG A 744 -6.152 5.869 105.498 1.00 26.35 O ATOM 1309 CB ARG A 744 -7.359 3.149 104.749 1.00 25.19 C ATOM 1310 CG ARG A 744 -6.429 2.601 103.664 1.00 29.28 C ATOM 1311 CD ARG A 744 -6.014 1.143 103.910 1.00 31.84 C ATOM 1312 NE ARG A 744 -5.773 0.446 102.643 1.00 33.55 N ATOM 1313 CZ ARG A 744 -4.682 0.611 101.900 1.00 33.74 C ATOM 1314 NH1 ARG A 744 -3.731 1.445 102.296 1.00 33.04 N ATOM 1315 NH2 ARG A 744 -4.541 -0.047 100.757 1.00 34.47 N ATOM 1316 HE ARG A 744 -6.499 -0.218 102.305 1.00 0.00 H ATOM 1317 HH12 ARG A 744 -2.878 1.574 101.715 1.00 0.00 H ATOM 1318 HH11 ARG A 744 -3.838 1.970 103.187 1.00 0.00 H ATOM 1319 HH22 ARG A 744 -3.685 0.087 100.182 1.00 0.00 H ATOM 1320 HH21 ARG A 744 -5.286 -0.697 100.436 1.00 0.00 H ATOM 1321 H ARG A 744 -8.661 3.686 102.629 1.00 0.00 H ATOM 1322 N ASN A 745 -6.267 5.983 103.245 1.00 23.92 N ATOM 1323 CA ASN A 745 -5.183 6.949 103.126 1.00 25.22 C ATOM 1324 C ASN A 745 -5.677 8.368 102.885 1.00 24.54 C ATOM 1325 O ASN A 745 -4.890 9.227 102.481 1.00 27.23 O ATOM 1326 CB ASN A 745 -4.193 6.539 102.033 1.00 23.01 C ATOM 1327 CG ASN A 745 -3.174 5.550 102.529 1.00 28.18 C ATOM 1328 OD1 ASN A 745 -2.777 5.591 103.706 1.00 26.64 O ATOM 1329 ND2 ASN A 745 -2.738 4.649 101.655 1.00 28.10 N ATOM 1330 HD22 ASN A 745 -3.099 4.653 100.680 1.00 0.00 H ATOM 1331 HD21 ASN A 745 -2.036 3.939 101.946 1.00 0.00 H ATOM 1332 H ASN A 745 -6.721 5.627 102.380 1.00 0.00 H ATOM 1333 N ILE A 746 -6.965 8.620 103.096 1.00 23.92 N ATOM 1334 CA ILE A 746 -7.550 9.948 102.984 1.00 23.44 C ATOM 1335 C ILE A 746 -7.938 10.390 104.384 1.00 22.46 C ATOM 1336 O ILE A 746 -8.531 9.612 105.140 1.00 23.11 O ATOM 1337 CB ILE A 746 -8.787 9.922 102.072 1.00 23.54 C ATOM 1338 CG1 ILE A 746 -8.422 9.309 100.723 1.00 25.77 C ATOM 1339 CG2 ILE A 746 -9.357 11.323 101.899 1.00 24.68 C ATOM 1340 CD1 ILE A 746 -7.426 10.131 99.932 1.00 25.47 C ATOM 1341 H ILE A 746 -7.587 7.827 103.354 1.00 0.00 H ATOM 1342 N LEU A 747 -7.609 11.631 104.730 1.00 24.27 N ATOM 1343 CA LEU A 747 -8.019 12.212 106.002 1.00 22.60 C ATOM 1344 C LEU A 747 -9.118 13.242 105.763 1.00 24.95 C ATOM 1345 O LEU A 747 -9.213 13.846 104.685 1.00 26.99 O ATOM 1346 CB LEU A 747 -6.818 12.846 106.701 1.00 25.51 C ATOM 1347 CG LEU A 747 -5.781 11.860 107.245 1.00 24.35 C ATOM 1348 CD1 LEU A 747 -4.504 12.585 107.671 1.00 25.65 C ATOM 1349 CD2 LEU A 747 -6.372 11.089 108.426 1.00 27.60 C ATOM 1350 H LEU A 747 -7.042 12.204 104.073 1.00 0.00 H ATOM 1351 N VAL A 748 -9.985 13.410 106.758 1.00 24.72 N ATOM 1352 CA VAL A 748 -11.168 14.249 106.630 1.00 25.19 C ATOM 1353 C VAL A 748 -11.144 15.274 107.751 1.00 25.36 C ATOM 1354 O VAL A 748 -11.038 14.904 108.927 1.00 28.31 O ATOM 1355 CB VAL A 748 -12.453 13.406 106.719 1.00 25.99 C ATOM 1356 CG1 VAL A 748 -13.667 14.280 106.464 1.00 29.99 C ATOM 1357 CG2 VAL A 748 -12.401 12.251 105.702 1.00 27.41 C ATOM 1358 H VAL A 748 -9.811 12.924 107.661 1.00 0.00 H ATOM 1359 N ASN A 749 -11.236 16.554 107.397 1.00 27.17 N ATOM 1360 CA ASN A 749 -11.256 17.575 108.436 1.00 30.22 C ATOM 1361 C ASN A 749 -12.682 17.834 108.921 1.00 34.56 C ATOM 1362 O ASN A 749 -13.637 17.169 108.518 1.00 32.70 O ATOM 1363 CB ASN A 749 -10.460 18.825 108.044 1.00 33.82 C ATOM 1364 CG ASN A 749 -11.180 19.726 107.056 1.00 33.02 C ATOM 1365 OD1 ASN A 749 -12.360 19.550 106.760 1.00 35.80 O ATOM 1366 ND2 ASN A 749 -10.453 20.717 106.540 1.00 33.61 N ATOM 1367 HD22 ASN A 749 -9.457 20.830 106.818 1.00 0.00 H ATOM 1368 HD21 ASN A 749 -10.882 21.377 105.860 1.00 0.00 H ATOM 1369 H ASN A 749 -11.293 16.821 106.394 1.00 0.00 H ATOM 1370 N SER A 750 -12.827 18.814 109.818 1.00 34.03 N ATOM 1371 CA SER A 750 -14.128 19.081 110.419 1.00 37.29 C ATOM 1372 C SER A 750 -15.128 19.655 109.426 1.00 38.99 C ATOM 1373 O SER A 750 -16.332 19.612 109.693 1.00 39.83 O ATOM 1374 CB SER A 750 -13.975 20.025 111.617 1.00 39.15 C ATOM 1375 OG SER A 750 -13.319 21.223 111.236 1.00 47.91 O ATOM 1376 HG SER A 750 -12.420 21.007 110.883 1.00 0.00 H ATOM 1377 H SER A 750 -12.005 19.391 110.089 1.00 0.00 H ATOM 1378 N ASN A 751 -14.663 20.180 108.291 1.00 37.98 N ATOM 1379 CA ASN A 751 -15.537 20.703 107.250 1.00 38.25 C ATOM 1380 C ASN A 751 -15.744 19.710 106.114 1.00 36.23 C ATOM 1381 O ASN A 751 -16.212 20.102 105.040 1.00 37.02 O ATOM 1382 CB ASN A 751 -14.985 22.018 106.696 1.00 43.73 C ATOM 1383 CG ASN A 751 -14.935 23.111 107.739 1.00 49.97 C ATOM 1384 OD1 ASN A 751 -15.816 23.210 108.594 1.00 52.22 O ATOM 1385 ND2 ASN A 751 -13.906 23.947 107.668 1.00 51.13 N ATOM 1386 HD22 ASN A 751 -13.186 23.824 106.928 1.00 0.00 H ATOM 1387 HD21 ASN A 751 -13.820 24.725 108.353 1.00 0.00 H ATOM 1388 H ASN A 751 -13.634 20.217 108.144 1.00 0.00 H ATOM 1389 N LEU A 752 -15.402 18.441 106.329 1.00 33.88 N ATOM 1390 CA LEU A 752 -15.514 17.360 105.354 1.00 33.82 C ATOM 1391 C LEU A 752 -14.538 17.484 104.191 1.00 30.78 C ATOM 1392 O LEU A 752 -14.690 16.763 103.199 1.00 32.17 O ATOM 1393 CB LEU A 752 -16.945 17.145 104.844 1.00 35.02 C ATOM 1394 CG LEU A 752 -17.994 17.022 105.951 1.00 40.87 C ATOM 1395 CD1 LEU A 752 -19.370 16.769 105.358 1.00 41.70 C ATOM 1396 CD2 LEU A 752 -17.607 15.927 106.929 1.00 39.49 C ATOM 1397 H LEU A 752 -15.024 18.200 107.268 1.00 0.00 H ATOM 1398 N VAL A 753 -13.537 18.364 104.281 1.00 31.50 N ATOM 1399 CA VAL A 753 -12.507 18.435 103.251 1.00 27.76 C ATOM 1400 C VAL A 753 -11.625 17.199 103.340 1.00 30.15 C ATOM 1401 O VAL A 753 -11.107 16.853 104.416 1.00 28.44 O ATOM 1402 CB VAL A 753 -11.671 19.718 103.389 1.00 30.77 C ATOM 1403 CG1 VAL A 753 -10.562 19.743 102.332 1.00 32.63 C ATOM 1404 CG2 VAL A 753 -12.555 20.956 103.264 1.00 34.66 C ATOM 1405 H VAL A 753 -13.492 19.007 105.097 1.00 0.00 H ATOM 1406 N CYS A 754 -11.432 16.538 102.203 1.00 27.46 N ATOM 1407 CA CYS A 754 -10.654 15.314 102.133 1.00 26.33 C ATOM 1408 C CYS A 754 -9.244 15.626 101.657 1.00 26.02 C ATOM 1409 O CYS A 754 -9.057 16.359 100.679 1.00 31.11 O ATOM 1410 CB CYS A 754 -11.333 14.332 101.177 1.00 25.23 C ATOM 1411 SG CYS A 754 -12.822 13.671 101.851 1.00 28.38 S ATOM 1412 H CYS A 754 -11.855 16.912 101.330 1.00 0.00 H ATOM 1413 N LYS A 755 -8.251 15.071 102.348 1.00 25.64 N ATOM 1414 CA LYS A 755 -6.855 15.315 102.011 1.00 28.01 C ATOM 1415 C LYS A 755 -6.133 13.996 101.780 1.00 27.27 C ATOM 1416 O LYS A 755 -6.070 13.144 102.675 1.00 26.64 O ATOM 1417 CB LYS A 755 -6.167 16.178 103.071 1.00 32.79 C ATOM 1418 CG LYS A 755 -6.900 17.504 103.251 1.00 34.59 C ATOM 1419 CD LYS A 755 -6.036 18.581 103.852 1.00 33.83 C ATOM 1420 CE LYS A 755 -6.857 19.845 104.092 1.00 36.66 C ATOM 1421 NZ LYS A 755 -5.974 20.985 104.434 1.00 44.76 N ATOM 1422 HZ1 LYS A 755 -5.440 20.761 105.298 1.00 0.00 H ATOM 1423 HZ2 LYS A 755 -5.312 21.157 103.650 1.00 0.00 H ATOM 1424 HZ3 LYS A 755 -6.553 21.834 104.593 1.00 0.00 H ATOM 1425 H LYS A 755 -8.478 14.447 103.149 1.00 0.00 H ATOM 1426 N VAL A 756 -5.601 13.831 100.568 1.00 23.45 N ATOM 1427 CA VAL A 756 -4.836 12.640 100.234 1.00 24.05 C ATOM 1428 C VAL A 756 -3.589 12.587 101.099 1.00 27.17 C ATOM 1429 O VAL A 756 -2.876 13.587 101.257 1.00 26.57 O ATOM 1430 CB VAL A 756 -4.463 12.666 98.745 1.00 23.10 C ATOM 1431 CG1 VAL A 756 -3.604 11.448 98.396 1.00 26.25 C ATOM 1432 CG2 VAL A 756 -5.727 12.710 97.874 1.00 26.28 C ATOM 1433 H VAL A 756 -5.736 14.569 99.847 1.00 0.00 H ATOM 1434 N SER A 757 -3.332 11.416 101.675 1.00 24.31 N ATOM 1435 CA SER A 757 -2.173 11.153 102.512 1.00 22.41 C ATOM 1436 C SER A 757 -1.584 9.817 102.080 1.00 25.06 C ATOM 1437 O SER A 757 -2.066 9.181 101.139 1.00 24.34 O ATOM 1438 CB SER A 757 -2.601 11.097 103.988 1.00 24.80 C ATOM 1439 OG SER A 757 -3.423 12.214 104.312 1.00 27.20 O ATOM 1440 HG SER A 757 -4.232 12.203 103.741 1.00 0.00 H ATOM 1441 H SER A 757 -4.004 10.638 101.516 1.00 0.00 H ATOM 1442 N ASP A 758 -0.540 9.372 102.776 1.00 25.09 N ATOM 1443 CA ASP A 758 -0.012 8.031 102.546 1.00 23.00 C ATOM 1444 C ASP A 758 0.549 7.538 103.869 1.00 28.87 C ATOM 1445 O ASP A 758 1.574 8.049 104.336 1.00 28.87 O ATOM 1446 CB ASP A 758 1.069 8.040 101.477 1.00 25.56 C ATOM 1447 CG ASP A 758 1.547 6.647 101.115 1.00 27.75 C ATOM 1448 OD1 ASP A 758 1.153 5.660 101.783 1.00 32.76 O ATOM 1449 OD2 ASP A 758 2.344 6.536 100.161 1.00 30.09 O ATOM 1450 H ASP A 758 -0.097 9.985 103.490 1.00 0.00 H ATOM 1451 N PHE A 759 -0.108 6.543 104.454 1.00 24.83 N ATOM 1452 CA PHE A 759 0.270 6.022 105.765 1.00 24.11 C ATOM 1453 C PHE A 759 1.203 4.823 105.674 1.00 36.92 C ATOM 1454 O PHE A 759 1.575 4.261 106.712 1.00 39.66 O ATOM 1455 CB PHE A 759 -0.991 5.662 106.553 1.00 26.85 C ATOM 1456 CG PHE A 759 -1.879 6.833 106.826 1.00 25.81 C ATOM 1457 CD1 PHE A 759 -1.361 8.117 106.852 1.00 25.72 C ATOM 1458 CD2 PHE A 759 -3.241 6.663 107.013 1.00 34.24 C ATOM 1459 CE1 PHE A 759 -2.174 9.209 107.103 1.00 25.68 C ATOM 1460 CE2 PHE A 759 -4.064 7.751 107.252 1.00 36.72 C ATOM 1461 CZ PHE A 759 -3.527 9.030 107.295 1.00 31.57 C ATOM 1462 H PHE A 759 -0.920 6.120 103.961 1.00 0.00 H ATOM 1463 N GLY A 760 1.612 4.431 104.472 1.00 32.17 N ATOM 1464 CA GLY A 760 2.421 3.237 104.345 1.00 39.51 C ATOM 1465 C GLY A 760 1.608 1.978 104.625 1.00 50.17 C ATOM 1466 O GLY A 760 0.387 2.001 104.797 1.00 51.71 O ATOM 1467 H GLY A 760 1.352 4.979 103.627 1.00 0.00 H ATOM 1468 N LEU A 761 2.323 0.858 104.669 1.00 60.81 N ATOM 1469 CA LEU A 761 1.692 -0.430 104.947 1.00 64.56 C ATOM 1470 C LEU A 761 2.228 -1.044 106.238 1.00 68.21 C ATOM 1471 O LEU A 761 2.071 -0.475 107.319 1.00 64.77 O ATOM 1472 CB LEU A 761 1.878 -1.403 103.776 1.00 62.92 C ATOM 1473 CG LEU A 761 1.124 -1.128 102.467 1.00 65.39 C ATOM 1474 CD1 LEU A 761 -0.322 -0.720 102.749 1.00 58.60 C ATOM 1475 CD2 LEU A 761 1.825 -0.075 101.611 1.00 65.93 C ATOM 1476 H LEU A 761 3.349 0.899 104.503 1.00 0.00 H TER 1477 LEU A 761 ATOM 1478 N ILE A 782 -1.600 -6.593 101.792 1.00 76.02 N ATOM 1479 CA ILE A 782 -1.059 -6.061 100.545 1.00 66.37 C ATOM 1480 C ILE A 782 -2.226 -5.498 99.710 1.00 64.73 C ATOM 1481 O ILE A 782 -3.252 -6.162 99.547 1.00 58.25 O ATOM 1482 CB ILE A 782 -0.172 -7.130 99.832 1.00 67.63 C ATOM 1483 CG1 ILE A 782 0.803 -6.482 98.846 1.00 66.01 C ATOM 1484 CG2 ILE A 782 -1.017 -8.212 99.162 1.00 57.17 C ATOM 1485 CD1 ILE A 782 1.929 -5.725 99.525 1.00 61.03 C ATOM 1486 HN3 ILE A 782 -2.282 -7.348 101.578 1.00 0.00 H ATOM 1487 HN2 ILE A 782 -2.077 -5.831 102.315 1.00 0.00 H ATOM 1488 HN1 ILE A 782 -0.825 -6.978 102.369 1.00 0.00 H ATOM 1489 N PRO A 783 -2.084 -4.258 99.189 1.00 69.85 N ATOM 1490 CA PRO A 783 -3.270 -3.531 98.708 1.00 55.53 C ATOM 1491 C PRO A 783 -3.787 -3.998 97.359 1.00 46.59 C ATOM 1492 O PRO A 783 -4.194 -3.155 96.546 1.00 33.20 O ATOM 1493 CB PRO A 783 -2.788 -2.075 98.624 1.00 46.33 C ATOM 1494 CG PRO A 783 -1.284 -2.147 98.550 1.00 60.90 C ATOM 1495 CD PRO A 783 -0.838 -3.559 98.829 1.00 64.04 C ATOM 1496 N ILE A 784 -3.803 -5.322 97.136 1.00 41.32 N ATOM 1497 CA ILE A 784 -4.182 -5.887 95.840 1.00 37.32 C ATOM 1498 C ILE A 784 -5.494 -5.297 95.347 1.00 31.18 C ATOM 1499 O ILE A 784 -5.632 -4.955 94.166 1.00 31.15 O ATOM 1500 CB ILE A 784 -4.238 -7.429 95.913 1.00 42.60 C ATOM 1501 CG1 ILE A 784 -2.829 -8.024 95.837 1.00 45.49 C ATOM 1502 CG2 ILE A 784 -5.178 -8.013 94.848 1.00 36.03 C ATOM 1503 CD1 ILE A 784 -2.042 -7.565 94.646 1.00 45.44 C ATOM 1504 H ILE A 784 -3.538 -5.966 97.908 1.00 0.00 H ATOM 1505 N ARG A 785 -6.474 -5.146 96.238 1.00 28.20 N ATOM 1506 CA ARG A 785 -7.812 -4.832 95.757 1.00 28.78 C ATOM 1507 C ARG A 785 -7.998 -3.367 95.363 1.00 25.99 C ATOM 1508 O ARG A 785 -9.032 -3.031 94.770 1.00 26.31 O ATOM 1509 CB ARG A 785 -8.895 -5.328 96.724 1.00 28.98 C ATOM 1510 CG ARG A 785 -8.896 -4.688 98.086 1.00 26.84 C ATOM 1511 CD ARG A 785 -9.730 -5.521 99.078 1.00 30.25 C ATOM 1512 NE ARG A 785 -9.188 -6.872 99.182 1.00 32.47 N ATOM 1513 CZ ARG A 785 -9.922 -7.979 99.251 1.00 29.64 C ATOM 1514 NH1 ARG A 785 -11.248 -7.916 99.233 1.00 29.54 N ATOM 1515 NH2 ARG A 785 -9.322 -9.157 99.330 1.00 30.60 N ATOM 1516 HE ARG A 785 -8.154 -6.977 99.204 1.00 0.00 H ATOM 1517 HH12 ARG A 785 -11.811 -8.789 99.288 1.00 0.00 H ATOM 1518 HH11 ARG A 785 -11.724 -6.994 99.164 1.00 0.00 H ATOM 1519 HH22 ARG A 785 -9.889 -10.027 99.384 1.00 0.00 H ATOM 1520 HH21 ARG A 785 -8.283 -9.212 99.338 1.00 0.00 H ATOM 1521 H ARG A 785 -6.287 -5.250 97.256 1.00 0.00 H ATOM 1522 N TRP A 786 -7.028 -2.501 95.649 1.00 26.16 N ATOM 1523 CA TRP A 786 -7.037 -1.130 95.149 1.00 25.76 C ATOM 1524 C TRP A 786 -6.132 -0.936 93.947 1.00 26.82 C ATOM 1525 O TRP A 786 -6.101 0.166 93.395 1.00 27.98 O ATOM 1526 CB TRP A 786 -6.579 -0.159 96.245 1.00 26.05 C ATOM 1527 CG TRP A 786 -7.539 0.006 97.368 1.00 27.14 C ATOM 1528 CD1 TRP A 786 -8.511 0.961 97.489 1.00 27.18 C ATOM 1529 CD2 TRP A 786 -7.636 -0.816 98.533 1.00 27.95 C ATOM 1530 NE1 TRP A 786 -9.206 0.782 98.660 1.00 27.30 N ATOM 1531 CE2 TRP A 786 -8.689 -0.302 99.319 1.00 28.25 C ATOM 1532 CE3 TRP A 786 -6.933 -1.933 98.992 1.00 28.92 C ATOM 1533 CZ2 TRP A 786 -9.058 -0.875 100.532 1.00 29.94 C ATOM 1534 CZ3 TRP A 786 -7.294 -2.495 100.208 1.00 33.15 C ATOM 1535 CH2 TRP A 786 -8.348 -1.966 100.959 1.00 30.27 C ATOM 1536 HE1 TRP A 786 -9.995 1.372 98.992 1.00 0.00 H ATOM 1537 H TRP A 786 -6.237 -2.812 96.249 1.00 0.00 H ATOM 1538 N THR A 787 -5.423 -1.972 93.511 1.00 25.70 N ATOM 1539 CA THR A 787 -4.332 -1.821 92.559 1.00 27.18 C ATOM 1540 C THR A 787 -4.738 -2.277 91.161 1.00 27.66 C ATOM 1541 O THR A 787 -5.401 -3.305 90.989 1.00 27.29 O ATOM 1542 CB THR A 787 -3.113 -2.599 93.055 1.00 27.27 C ATOM 1543 OG1 THR A 787 -2.755 -2.117 94.352 1.00 29.71 O ATOM 1544 CG2 THR A 787 -1.934 -2.395 92.124 1.00 29.07 C ATOM 1545 HG1 THR A 787 -1.966 -2.615 94.682 1.00 0.00 H ATOM 1546 H THR A 787 -5.655 -2.923 93.862 1.00 0.00 H ATOM 1547 N ALA A 788 -4.342 -1.489 90.160 1.00 25.85 N ATOM 1548 CA ALA A 788 -4.652 -1.810 88.779 1.00 26.51 C ATOM 1549 C ALA A 788 -3.975 -3.117 88.375 1.00 27.13 C ATOM 1550 O ALA A 788 -2.893 -3.446 88.875 1.00 29.52 O ATOM 1551 CB ALA A 788 -4.156 -0.694 87.868 1.00 25.56 C ATOM 1552 H ALA A 788 -3.800 -0.627 90.374 1.00 0.00 H ATOM 1553 N PRO A 789 -4.599 -3.877 87.473 1.00 28.37 N ATOM 1554 CA PRO A 789 -4.035 -5.190 87.100 1.00 32.72 C ATOM 1555 C PRO A 789 -2.601 -5.126 86.601 1.00 33.04 C ATOM 1556 O PRO A 789 -1.795 -5.998 86.949 1.00 33.92 O ATOM 1557 CB PRO A 789 -4.999 -5.691 86.015 1.00 31.64 C ATOM 1558 CG PRO A 789 -6.276 -4.956 86.270 1.00 35.77 C ATOM 1559 CD PRO A 789 -5.883 -3.605 86.808 1.00 28.03 C ATOM 1560 N GLU A 790 -2.256 -4.114 85.799 1.00 32.43 N ATOM 1561 CA GLU A 790 -0.898 -4.022 85.275 1.00 32.14 C ATOM 1562 C GLU A 790 0.107 -3.654 86.355 1.00 36.41 C ATOM 1563 O GLU A 790 1.298 -3.952 86.209 1.00 34.49 O ATOM 1564 CB GLU A 790 -0.837 -3.032 84.108 1.00 33.96 C ATOM 1565 CG GLU A 790 -0.828 -1.557 84.518 1.00 32.65 C ATOM 1566 CD GLU A 790 -2.221 -0.967 84.735 1.00 31.66 C ATOM 1567 OE1 GLU A 790 -3.221 -1.719 84.713 1.00 27.88 O ATOM 1568 OE2 GLU A 790 -2.302 0.267 84.938 1.00 28.88 O ATOM 1569 H GLU A 790 -2.958 -3.389 85.548 1.00 0.00 H ATOM 1570 N ALA A 791 -0.346 -3.026 87.440 1.00 30.15 N ATOM 1571 CA ALA A 791 0.555 -2.737 88.541 1.00 32.20 C ATOM 1572 C ALA A 791 0.738 -3.957 89.433 1.00 34.49 C ATOM 1573 O ALA A 791 1.809 -4.139 90.026 1.00 36.94 O ATOM 1574 CB ALA A 791 0.044 -1.526 89.327 1.00 30.41 C ATOM 1575 H ALA A 791 -1.345 -2.743 87.498 1.00 0.00 H ATOM 1576 N ILE A 792 -0.289 -4.802 89.530 1.00 34.30 N ATOM 1577 CA ILE A 792 -0.151 -6.079 90.223 1.00 36.27 C ATOM 1578 C ILE A 792 0.815 -6.985 89.473 1.00 40.64 C ATOM 1579 O ILE A 792 1.749 -7.545 90.056 1.00 39.98 O ATOM 1580 CB ILE A 792 -1.528 -6.747 90.378 1.00 38.43 C ATOM 1581 CG1 ILE A 792 -2.406 -5.955 91.343 1.00 31.02 C ATOM 1582 CG2 ILE A 792 -1.378 -8.192 90.846 1.00 40.54 C ATOM 1583 CD1 ILE A 792 -3.824 -6.483 91.421 1.00 32.25 C ATOM 1584 H ILE A 792 -1.203 -4.547 89.105 1.00 0.00 H ATOM 1585 N ALA A 793 0.607 -7.132 88.166 1.00 37.26 N ATOM 1586 CA ALA A 793 1.316 -8.142 87.389 1.00 42.24 C ATOM 1587 C ALA A 793 2.751 -7.730 87.085 1.00 46.70 C ATOM 1588 O ALA A 793 3.679 -8.535 87.229 1.00 51.08 O ATOM 1589 CB ALA A 793 0.558 -8.426 86.093 1.00 41.92 C ATOM 1590 H ALA A 793 -0.077 -6.512 87.688 1.00 0.00 H ATOM 1591 N PHE A 794 2.957 -6.487 86.655 1.00 43.12 N ATOM 1592 CA PHE A 794 4.262 -6.056 86.166 1.00 42.10 C ATOM 1593 C PHE A 794 4.820 -4.860 86.922 1.00 44.18 C ATOM 1594 O PHE A 794 5.839 -4.299 86.501 1.00 45.57 O ATOM 1595 CB PHE A 794 4.210 -5.766 84.662 1.00 47.84 C ATOM 1596 CG PHE A 794 3.630 -6.891 83.853 1.00 48.93 C ATOM 1597 CD1 PHE A 794 2.361 -6.788 83.310 1.00 47.68 C ATOM 1598 CD2 PHE A 794 4.347 -8.060 83.653 1.00 53.60 C ATOM 1599 CE1 PHE A 794 1.822 -7.825 82.571 1.00 52.60 C ATOM 1600 CE2 PHE A 794 3.814 -9.099 82.914 1.00 53.41 C ATOM 1601 CZ PHE A 794 2.550 -8.982 82.375 1.00 52.30 C ATOM 1602 H PHE A 794 2.170 -5.808 86.668 1.00 0.00 H ATOM 1603 N ARG A 795 4.212 -4.471 88.022 1.00 38.49 N ATOM 1604 CA ARG A 795 4.660 -3.319 88.768 1.00 40.05 C ATOM 1605 C ARG A 795 4.719 -2.051 87.933 1.00 37.72 C ATOM 1606 O ARG A 795 5.525 -1.225 88.155 1.00 41.74 O ATOM 1607 CB ARG A 795 5.989 -3.569 89.451 1.00 46.74 C ATOM 1608 CG ARG A 795 5.928 -4.593 90.548 1.00 53.49 C ATOM 1609 CD ARG A 795 7.267 -4.761 91.220 1.00 64.64 C ATOM 1610 NE ARG A 795 7.149 -5.810 92.214 1.00 75.70 N ATOM 1611 CZ ARG A 795 8.135 -6.328 92.936 1.00 70.42 C ATOM 1612 NH1 ARG A 795 7.830 -7.252 93.823 1.00 69.34 N ATOM 1613 NH2 ARG A 795 9.389 -5.938 92.789 1.00 65.91 N ATOM 1614 HE ARG A 795 6.197 -6.195 92.378 1.00 0.00 H ATOM 1615 HH12 ARG A 795 8.577 -7.680 94.406 1.00 0.00 H ATOM 1616 HH11 ARG A 795 6.842 -7.554 93.940 1.00 0.00 H ATOM 1617 HH22 ARG A 795 10.138 -6.365 93.371 1.00 0.00 H ATOM 1618 HH21 ARG A 795 9.627 -5.204 92.091 1.00 0.00 H ATOM 1619 H ARG A 795 3.388 -5.007 88.363 1.00 0.00 H ATOM 1620 N LYS A 796 3.844 -1.930 86.964 1.00 35.76 N ATOM 1621 CA LYS A 796 3.737 -0.728 86.139 1.00 35.35 C ATOM 1622 C LYS A 796 2.830 0.260 86.862 1.00 37.05 C ATOM 1623 O LYS A 796 1.624 0.316 86.621 1.00 34.02 O ATOM 1624 CB LYS A 796 3.171 -1.070 84.767 1.00 39.10 C ATOM 1625 CG LYS A 796 4.127 -1.834 83.869 1.00 41.16 C ATOM 1626 CD LYS A 796 3.426 -2.305 82.606 1.00 46.68 C ATOM 1627 CE LYS A 796 4.408 -2.921 81.625 1.00 59.11 C ATOM 1628 NZ LYS A 796 3.717 -3.758 80.605 1.00 58.73 N ATOM 1629 HZ1 LYS A 796 3.203 -4.527 81.080 1.00 0.00 H ATOM 1630 HZ2 LYS A 796 3.047 -3.169 80.071 1.00 0.00 H ATOM 1631 HZ3 LYS A 796 4.421 -4.161 79.954 1.00 0.00 H ATOM 1632 H LYS A 796 3.199 -2.723 86.774 1.00 0.00 H ATOM 1633 N PHE A 797 3.422 1.062 87.744 1.00 31.74 N ATOM 1634 CA PHE A 797 2.686 2.069 88.504 1.00 31.70 C ATOM 1635 C PHE A 797 2.783 3.414 87.792 1.00 32.76 C ATOM 1636 O PHE A 797 3.886 3.936 87.580 1.00 33.49 O ATOM 1637 CB PHE A 797 3.239 2.202 89.924 1.00 35.55 C ATOM 1638 CG PHE A 797 2.914 1.039 90.826 1.00 35.87 C ATOM 1639 CD1 PHE A 797 3.764 -0.052 90.904 1.00 39.78 C ATOM 1640 CD2 PHE A 797 1.771 1.052 91.620 1.00 31.17 C ATOM 1641 CE1 PHE A 797 3.478 -1.117 91.746 1.00 37.38 C ATOM 1642 CE2 PHE A 797 1.478 -0.015 92.462 1.00 32.95 C ATOM 1643 CZ PHE A 797 2.336 -1.098 92.525 1.00 35.18 C ATOM 1644 H PHE A 797 4.446 0.968 87.898 1.00 0.00 H ATOM 1645 N THR A 798 1.631 3.971 87.424 1.00 29.40 N ATOM 1646 CA THR A 798 1.546 5.242 86.717 1.00 29.03 C ATOM 1647 C THR A 798 0.372 6.026 87.282 1.00 27.17 C ATOM 1648 O THR A 798 -0.421 5.512 88.080 1.00 27.10 O ATOM 1649 CB THR A 798 1.245 5.023 85.232 1.00 29.56 C ATOM 1650 OG1 THR A 798 -0.005 4.330 85.108 1.00 28.98 O ATOM 1651 CG2 THR A 798 2.345 4.213 84.566 1.00 33.04 C ATOM 1652 HG1 THR A 798 0.056 3.456 85.570 1.00 0.00 H ATOM 1653 H THR A 798 0.747 3.473 87.653 1.00 0.00 H ATOM 1654 N SER A 799 0.207 7.266 86.819 1.00 28.07 N ATOM 1655 CA SER A 799 -1.008 7.983 87.198 1.00 28.95 C ATOM 1656 C SER A 799 -2.258 7.244 86.729 1.00 27.94 C ATOM 1657 O SER A 799 -3.296 7.304 87.395 1.00 26.55 O ATOM 1658 CB SER A 799 -0.973 9.441 86.726 1.00 27.07 C ATOM 1659 OG SER A 799 0.068 10.143 87.400 1.00 30.34 O ATOM 1660 HG SER A 799 -0.097 10.119 88.376 1.00 0.00 H ATOM 1661 H SER A 799 0.922 7.709 86.207 1.00 0.00 H ATOM 1662 N ALA A 800 -2.167 6.500 85.616 1.00 23.92 N ATOM 1663 CA ALA A 800 -3.313 5.725 85.151 1.00 23.70 C ATOM 1664 C ALA A 800 -3.641 4.577 86.100 1.00 26.28 C ATOM 1665 O ALA A 800 -4.815 4.224 86.251 1.00 24.21 O ATOM 1666 CB ALA A 800 -3.081 5.207 83.724 1.00 24.63 C ATOM 1667 H ALA A 800 -1.275 6.475 85.082 1.00 0.00 H ATOM 1668 N SER A 801 -2.635 3.962 86.724 1.00 27.41 N ATOM 1669 CA SER A 801 -2.963 2.989 87.758 1.00 24.72 C ATOM 1670 C SER A 801 -3.537 3.672 88.996 1.00 25.61 C ATOM 1671 O SER A 801 -4.408 3.099 89.669 1.00 24.71 O ATOM 1672 CB SER A 801 -1.781 2.068 88.074 1.00 26.96 C ATOM 1673 OG SER A 801 -0.656 2.757 88.586 1.00 27.44 O ATOM 1674 HG SER A 801 -0.907 3.219 89.425 1.00 0.00 H ATOM 1675 H SER A 801 -1.646 4.171 86.480 1.00 0.00 H ATOM 1676 N ASP A 802 -3.084 4.892 89.308 1.00 24.00 N ATOM 1677 CA ASP A 802 -3.737 5.654 90.376 1.00 23.11 C ATOM 1678 C ASP A 802 -5.209 5.907 90.055 1.00 23.45 C ATOM 1679 O ASP A 802 -6.045 5.955 90.967 1.00 23.34 O ATOM 1680 CB ASP A 802 -3.039 6.992 90.610 1.00 24.17 C ATOM 1681 CG ASP A 802 -1.778 6.881 91.453 1.00 25.53 C ATOM 1682 OD1 ASP A 802 -1.509 5.836 92.101 1.00 25.23 O ATOM 1683 OD2 ASP A 802 -1.049 7.890 91.472 1.00 26.47 O ATOM 1684 H ASP A 802 -2.274 5.297 88.796 1.00 0.00 H ATOM 1685 N VAL A 803 -5.548 6.097 88.777 1.00 23.75 N ATOM 1686 CA VAL A 803 -6.945 6.301 88.410 1.00 23.16 C ATOM 1687 C VAL A 803 -7.776 5.061 88.709 1.00 23.71 C ATOM 1688 O VAL A 803 -8.924 5.165 89.160 1.00 22.66 O ATOM 1689 CB VAL A 803 -7.060 6.762 86.945 1.00 23.21 C ATOM 1690 CG1 VAL A 803 -8.484 6.570 86.418 1.00 21.58 C ATOM 1691 CG2 VAL A 803 -6.629 8.212 86.855 1.00 23.16 C ATOM 1692 H VAL A 803 -4.813 6.099 88.041 1.00 0.00 H ATOM 1693 N TRP A 804 -7.236 3.873 88.428 1.00 23.91 N ATOM 1694 CA TRP A 804 -7.914 2.649 88.848 1.00 23.83 C ATOM 1695 C TRP A 804 -8.202 2.690 90.342 1.00 22.84 C ATOM 1696 O TRP A 804 -9.340 2.468 90.769 1.00 23.29 O ATOM 1697 CB TRP A 804 -7.063 1.426 88.498 1.00 24.40 C ATOM 1698 CG TRP A 804 -7.706 0.128 88.889 1.00 23.62 C ATOM 1699 CD1 TRP A 804 -7.883 -0.350 90.164 1.00 23.87 C ATOM 1700 CD2 TRP A 804 -8.254 -0.861 88.008 1.00 23.04 C ATOM 1701 NE1 TRP A 804 -8.522 -1.564 90.126 1.00 25.76 N ATOM 1702 CE2 TRP A 804 -8.756 -1.908 88.818 1.00 27.40 C ATOM 1703 CE3 TRP A 804 -8.368 -0.966 86.613 1.00 23.53 C ATOM 1704 CZ2 TRP A 804 -9.365 -3.043 88.279 1.00 26.66 C ATOM 1705 CZ3 TRP A 804 -8.973 -2.090 86.082 1.00 26.43 C ATOM 1706 CH2 TRP A 804 -9.457 -3.117 86.908 1.00 26.47 C ATOM 1707 HE1 TRP A 804 -8.787 -2.132 90.956 1.00 0.00 H ATOM 1708 H TRP A 804 -6.335 3.819 87.911 1.00 0.00 H ATOM 1709 N SER A 805 -7.177 2.991 91.144 1.00 22.20 N ATOM 1710 CA SER A 805 -7.370 3.098 92.590 1.00 21.14 C ATOM 1711 C SER A 805 -8.427 4.133 92.932 1.00 22.72 C ATOM 1712 O SER A 805 -9.234 3.928 93.852 1.00 21.96 O ATOM 1713 CB SER A 805 -6.051 3.488 93.253 1.00 23.32 C ATOM 1714 OG SER A 805 -5.017 2.576 92.921 1.00 23.62 O ATOM 1715 HG SER A 805 -5.268 1.669 93.228 1.00 0.00 H ATOM 1716 H SER A 805 -6.233 3.151 90.737 1.00 0.00 H ATOM 1717 N TYR A 806 -8.414 5.271 92.236 1.00 22.50 N ATOM 1718 CA TYR A 806 -9.424 6.289 92.494 1.00 22.10 C ATOM 1719 C TYR A 806 -10.829 5.739 92.283 1.00 21.78 C ATOM 1720 O TYR A 806 -11.749 6.048 93.049 1.00 22.99 O ATOM 1721 CB TYR A 806 -9.180 7.520 91.615 1.00 22.42 C ATOM 1722 CG TYR A 806 -10.236 8.559 91.848 1.00 20.21 C ATOM 1723 CD1 TYR A 806 -10.148 9.440 92.926 1.00 23.34 C ATOM 1724 CD2 TYR A 806 -11.352 8.631 91.033 1.00 21.39 C ATOM 1725 CE1 TYR A 806 -11.139 10.379 93.158 1.00 23.77 C ATOM 1726 CE2 TYR A 806 -12.349 9.557 91.255 1.00 23.33 C ATOM 1727 CZ TYR A 806 -12.240 10.422 92.323 1.00 20.71 C ATOM 1728 OH TYR A 806 -13.239 11.332 92.538 1.00 23.88 O ATOM 1729 HH TYR A 806 -13.021 11.878 93.334 1.00 0.00 H ATOM 1730 H TYR A 806 -7.685 5.431 91.512 1.00 0.00 H ATOM 1731 N GLY A 807 -11.027 4.935 91.236 1.00 23.05 N ATOM 1732 CA GLY A 807 -12.325 4.317 91.035 1.00 22.18 C ATOM 1733 C GLY A 807 -12.739 3.456 92.218 1.00 23.40 C ATOM 1734 O GLY A 807 -13.902 3.471 92.629 1.00 22.59 O ATOM 1735 H GLY A 807 -10.253 4.752 90.566 1.00 0.00 H ATOM 1736 N ILE A 808 -11.787 2.709 92.789 1.00 20.24 N ATOM 1737 CA ILE A 808 -12.074 1.949 94.005 1.00 22.08 C ATOM 1738 C ILE A 808 -12.462 2.887 95.139 1.00 21.65 C ATOM 1739 O ILE A 808 -13.420 2.621 95.874 1.00 22.92 O ATOM 1740 CB ILE A 808 -10.890 1.040 94.374 1.00 20.81 C ATOM 1741 CG1 ILE A 808 -10.559 0.056 93.253 1.00 24.01 C ATOM 1742 CG2 ILE A 808 -11.202 0.255 95.645 1.00 23.38 C ATOM 1743 CD1 ILE A 808 -11.662 -0.953 92.952 1.00 24.93 C ATOM 1744 H ILE A 808 -10.838 2.669 92.366 1.00 0.00 H ATOM 1745 N VAL A 809 -11.720 3.989 95.311 1.00 21.19 N ATOM 1746 CA VAL A 809 -12.082 4.977 96.335 1.00 22.55 C ATOM 1747 C VAL A 809 -13.504 5.490 96.119 1.00 23.90 C ATOM 1748 O VAL A 809 -14.260 5.667 97.078 1.00 22.74 O ATOM 1749 CB VAL A 809 -11.046 6.116 96.382 1.00 23.24 C ATOM 1750 CG1 VAL A 809 -11.515 7.241 97.324 1.00 22.90 C ATOM 1751 CG2 VAL A 809 -9.717 5.588 96.843 1.00 21.98 C ATOM 1752 H VAL A 809 -10.882 4.146 94.715 1.00 0.00 H ATOM 1753 N MET A 810 -13.891 5.759 94.868 1.00 22.75 N ATOM 1754 CA MET A 810 -15.266 6.179 94.595 1.00 22.38 C ATOM 1755 C MET A 810 -16.259 5.167 95.129 1.00 23.09 C ATOM 1756 O MET A 810 -17.262 5.530 95.760 1.00 23.34 O ATOM 1757 CB MET A 810 -15.481 6.304 93.086 1.00 22.05 C ATOM 1758 CG MET A 810 -14.751 7.446 92.437 1.00 21.00 C ATOM 1759 SD MET A 810 -15.190 7.478 90.688 1.00 25.13 S ATOM 1760 CE MET A 810 -16.815 8.166 90.825 1.00 25.16 C ATOM 1761 H MET A 810 -13.212 5.669 94.085 1.00 0.00 H ATOM 1762 N TRP A 811 -15.995 3.881 94.886 1.00 22.94 N ATOM 1763 CA TRP A 811 -16.884 2.826 95.369 1.00 22.84 C ATOM 1764 C TRP A 811 -16.893 2.759 96.893 1.00 22.77 C ATOM 1765 O TRP A 811 -17.958 2.622 97.504 1.00 24.64 O ATOM 1766 CB TRP A 811 -16.470 1.486 94.749 1.00 24.58 C ATOM 1767 CG TRP A 811 -17.465 0.379 94.909 1.00 21.82 C ATOM 1768 CD1 TRP A 811 -18.495 0.067 94.058 1.00 22.95 C ATOM 1769 CD2 TRP A 811 -17.539 -0.558 95.994 1.00 22.73 C ATOM 1770 NE1 TRP A 811 -19.194 -1.015 94.546 1.00 24.77 N ATOM 1771 CE2 TRP A 811 -18.627 -1.418 95.729 1.00 25.55 C ATOM 1772 CE3 TRP A 811 -16.780 -0.762 97.152 1.00 24.88 C ATOM 1773 CZ2 TRP A 811 -18.975 -2.469 96.584 1.00 28.21 C ATOM 1774 CZ3 TRP A 811 -17.130 -1.801 98.000 1.00 24.39 C ATOM 1775 CH2 TRP A 811 -18.217 -2.641 97.710 1.00 27.93 C ATOM 1776 HE1 TRP A 811 -20.019 -1.456 94.091 1.00 0.00 H ATOM 1777 H TRP A 811 -15.144 3.626 94.345 1.00 0.00 H ATOM 1778 N GLU A 812 -15.719 2.875 97.522 1.00 21.53 N ATOM 1779 CA GLU A 812 -15.669 2.925 98.986 1.00 20.59 C ATOM 1780 C GLU A 812 -16.510 4.078 99.528 1.00 24.21 C ATOM 1781 O GLU A 812 -17.227 3.921 100.526 1.00 24.46 O ATOM 1782 CB GLU A 812 -14.227 3.083 99.461 1.00 23.67 C ATOM 1783 CG GLU A 812 -13.313 1.921 99.150 1.00 26.19 C ATOM 1784 CD GLU A 812 -11.943 2.118 99.765 1.00 27.94 C ATOM 1785 OE1 GLU A 812 -11.690 1.556 100.854 1.00 27.27 O ATOM 1786 OE2 GLU A 812 -11.133 2.862 99.167 1.00 25.69 O ATOM 1787 H GLU A 812 -14.839 2.930 96.971 1.00 0.00 H ATOM 1788 N VAL A 813 -16.427 5.247 98.898 1.00 23.39 N ATOM 1789 CA VAL A 813 -17.172 6.406 99.379 1.00 23.09 C ATOM 1790 C VAL A 813 -18.673 6.197 99.221 1.00 24.52 C ATOM 1791 O VAL A 813 -19.451 6.390 100.168 1.00 24.91 O ATOM 1792 CB VAL A 813 -16.679 7.693 98.698 1.00 23.20 C ATOM 1793 CG1 VAL A 813 -17.640 8.847 98.960 1.00 26.31 C ATOM 1794 CG2 VAL A 813 -15.266 8.024 99.193 1.00 24.27 C ATOM 1795 H VAL A 813 -15.825 5.336 98.054 1.00 0.00 H ATOM 1796 N MET A 814 -19.109 5.795 98.029 1.00 22.97 N ATOM 1797 CA MET A 814 -20.537 5.639 97.793 1.00 23.79 C ATOM 1798 C MET A 814 -21.129 4.460 98.560 1.00 26.26 C ATOM 1799 O MET A 814 -22.353 4.395 98.724 1.00 27.76 O ATOM 1800 CB MET A 814 -20.818 5.545 96.290 1.00 25.69 C ATOM 1801 CG MET A 814 -20.266 6.734 95.519 1.00 24.28 C ATOM 1802 SD MET A 814 -20.737 8.356 96.179 1.00 26.89 S ATOM 1803 CE MET A 814 -22.528 8.302 96.038 1.00 27.76 C ATOM 1804 H MET A 814 -18.430 5.593 97.267 1.00 0.00 H ATOM 1805 N SER A 815 -20.294 3.534 99.025 1.00 24.74 N ATOM 1806 CA SER A 815 -20.722 2.419 99.859 1.00 25.77 C ATOM 1807 C SER A 815 -20.521 2.685 101.347 1.00 26.76 C ATOM 1808 O SER A 815 -20.633 1.753 102.154 1.00 28.52 O ATOM 1809 CB SER A 815 -19.968 1.148 99.475 1.00 26.85 C ATOM 1810 OG SER A 815 -18.613 1.230 99.884 1.00 24.53 O ATOM 1811 HG SER A 815 -18.183 2.005 99.443 1.00 0.00 H ATOM 1812 H SER A 815 -19.286 3.610 98.781 1.00 0.00 H ATOM 1813 N PHE A 816 -20.199 3.922 101.720 1.00 24.43 N ATOM 1814 CA PHE A 816 -19.976 4.293 103.121 1.00 24.06 C ATOM 1815 C PHE A 816 -18.956 3.384 103.801 1.00 26.46 C ATOM 1816 O PHE A 816 -19.122 2.970 104.956 1.00 26.36 O ATOM 1817 CB PHE A 816 -21.280 4.402 103.917 1.00 26.68 C ATOM 1818 CG PHE A 816 -22.120 5.583 103.525 1.00 27.07 C ATOM 1819 CD1 PHE A 816 -23.158 5.453 102.627 1.00 30.75 C ATOM 1820 CD2 PHE A 816 -21.866 6.829 104.080 1.00 31.46 C ATOM 1821 CE1 PHE A 816 -23.929 6.548 102.272 1.00 32.70 C ATOM 1822 CE2 PHE A 816 -22.634 7.925 103.733 1.00 33.94 C ATOM 1823 CZ PHE A 816 -23.661 7.784 102.821 1.00 30.78 C ATOM 1824 H PHE A 816 -20.102 4.655 100.988 1.00 0.00 H ATOM 1825 N GLY A 817 -17.875 3.083 103.090 1.00 24.71 N ATOM 1826 CA GLY A 817 -16.747 2.395 103.675 1.00 24.79 C ATOM 1827 C GLY A 817 -16.817 0.886 103.662 1.00 25.41 C ATOM 1828 O GLY A 817 -16.131 0.247 104.471 1.00 29.32 O ATOM 1829 H GLY A 817 -17.840 3.350 102.085 1.00 0.00 H ATOM 1830 N GLU A 818 -17.612 0.292 102.775 1.00 27.21 N ATOM 1831 CA GLU A 818 -17.518 -1.144 102.576 1.00 29.38 C ATOM 1832 C GLU A 818 -16.134 -1.505 102.042 1.00 30.59 C ATOM 1833 O GLU A 818 -15.480 -0.713 101.353 1.00 27.40 O ATOM 1834 CB GLU A 818 -18.603 -1.606 101.602 1.00 30.60 C ATOM 1835 CG GLU A 818 -18.654 -3.121 101.371 1.00 36.30 C ATOM 1836 CD GLU A 818 -18.841 -3.908 102.668 1.00 41.94 C ATOM 1837 OE1 GLU A 818 -17.837 -4.202 103.360 1.00 40.95 O ATOM 1838 OE2 GLU A 818 -20.003 -4.230 102.995 1.00 46.25 O ATOM 1839 H GLU A 818 -18.296 0.852 102.228 1.00 0.00 H ATOM 1840 N ARG A 819 -15.685 -2.710 102.368 1.00 26.28 N ATOM 1841 CA ARG A 819 -14.418 -3.198 101.849 1.00 26.39 C ATOM 1842 C ARG A 819 -14.584 -3.521 100.372 1.00 25.85 C ATOM 1843 O ARG A 819 -15.508 -4.249 100.009 1.00 26.23 O ATOM 1844 CB ARG A 819 -14.007 -4.476 102.577 1.00 28.09 C ATOM 1845 CG ARG A 819 -12.667 -5.063 102.113 1.00 31.88 C ATOM 1846 CD ARG A 819 -12.264 -6.253 102.990 1.00 29.59 C ATOM 1847 NE ARG A 819 -10.859 -6.618 102.833 1.00 33.67 N ATOM 1848 CZ ARG A 819 -10.436 -7.828 102.487 1.00 40.69 C ATOM 1849 NH1 ARG A 819 -11.311 -8.802 102.255 1.00 42.47 N ATOM 1850 NH2 ARG A 819 -9.136 -8.066 102.380 1.00 36.10 N ATOM 1851 HE ARG A 819 -10.143 -5.883 103.003 1.00 0.00 H ATOM 1852 HH12 ARG A 819 -10.976 -9.749 101.984 1.00 0.00 H ATOM 1853 HH11 ARG A 819 -12.331 -8.617 102.344 1.00 0.00 H ATOM 1854 HH22 ARG A 819 -8.801 -9.013 102.109 1.00 0.00 H ATOM 1855 HH21 ARG A 819 -8.451 -7.306 102.567 1.00 0.00 H ATOM 1856 H ARG A 819 -16.246 -3.313 103.003 1.00 0.00 H ATOM 1857 N PRO A 820 -13.726 -3.007 99.502 1.00 25.56 N ATOM 1858 CA PRO A 820 -13.795 -3.397 98.089 1.00 24.92 C ATOM 1859 C PRO A 820 -13.793 -4.909 97.958 1.00 24.90 C ATOM 1860 O PRO A 820 -12.971 -5.598 98.568 1.00 27.54 O ATOM 1861 CB PRO A 820 -12.519 -2.795 97.503 1.00 25.15 C ATOM 1862 CG PRO A 820 -12.252 -1.620 98.354 1.00 25.35 C ATOM 1863 CD PRO A 820 -12.644 -2.046 99.761 1.00 24.53 C ATOM 1864 N TYR A 821 -14.744 -5.421 97.174 1.00 26.91 N ATOM 1865 CA TYR A 821 -14.922 -6.848 96.916 1.00 26.48 C ATOM 1866 C TYR A 821 -15.277 -7.644 98.168 1.00 28.51 C ATOM 1867 O TYR A 821 -15.082 -8.863 98.199 1.00 30.98 O ATOM 1868 CB TYR A 821 -13.723 -7.468 96.192 1.00 25.88 C ATOM 1869 CG TYR A 821 -13.269 -6.677 94.986 1.00 26.30 C ATOM 1870 CD1 TYR A 821 -12.300 -5.686 95.121 1.00 27.03 C ATOM 1871 CD2 TYR A 821 -13.807 -6.914 93.724 1.00 25.86 C ATOM 1872 CE1 TYR A 821 -11.876 -4.955 94.040 1.00 25.91 C ATOM 1873 CE2 TYR A 821 -13.384 -6.184 92.630 1.00 26.88 C ATOM 1874 CZ TYR A 821 -12.424 -5.205 92.801 1.00 26.76 C ATOM 1875 OH TYR A 821 -12.005 -4.480 91.703 1.00 25.01 O ATOM 1876 HH TYR A 821 -11.321 -3.823 91.985 1.00 0.00 H ATOM 1877 H TYR A 821 -15.403 -4.760 96.716 1.00 0.00 H ATOM 1878 N TRP A 822 -15.808 -6.978 99.195 1.00 27.53 N ATOM 1879 CA TRP A 822 -16.283 -7.665 100.396 1.00 26.72 C ATOM 1880 C TRP A 822 -15.191 -8.568 100.965 1.00 31.46 C ATOM 1881 O TRP A 822 -14.022 -8.172 100.993 1.00 31.25 O ATOM 1882 CB TRP A 822 -17.567 -8.433 100.074 1.00 28.99 C ATOM 1883 CG TRP A 822 -18.585 -7.584 99.391 1.00 31.24 C ATOM 1884 CD1 TRP A 822 -19.500 -6.760 99.977 1.00 30.98 C ATOM 1885 CD2 TRP A 822 -18.772 -7.446 97.977 1.00 25.99 C ATOM 1886 NE1 TRP A 822 -20.256 -6.127 99.018 1.00 30.60 N ATOM 1887 CE2 TRP A 822 -19.828 -6.533 97.781 1.00 28.24 C ATOM 1888 CE3 TRP A 822 -18.162 -8.021 96.855 1.00 30.53 C ATOM 1889 CZ2 TRP A 822 -20.282 -6.173 96.510 1.00 29.64 C ATOM 1890 CZ3 TRP A 822 -18.607 -7.656 95.597 1.00 28.00 C ATOM 1891 CH2 TRP A 822 -19.657 -6.746 95.433 1.00 25.76 C ATOM 1892 HE1 TRP A 822 -21.025 -5.452 99.201 1.00 0.00 H ATOM 1893 H TRP A 822 -15.886 -5.942 99.140 1.00 0.00 H ATOM 1894 N ASP A 823 -15.525 -9.781 101.414 1.00 30.50 N ATOM 1895 CA ASP A 823 -14.497 -10.655 101.969 1.00 32.15 C ATOM 1896 C ASP A 823 -13.928 -11.643 100.955 1.00 34.44 C ATOM 1897 O ASP A 823 -13.356 -12.662 101.354 1.00 32.94 O ATOM 1898 CB ASP A 823 -14.963 -11.362 103.245 1.00 38.24 C ATOM 1899 CG ASP A 823 -16.280 -12.065 103.071 1.00 34.56 C ATOM 1900 OD1 ASP A 823 -16.574 -13.010 103.837 1.00 50.78 O ATOM 1901 OD2 ASP A 823 -17.046 -11.650 102.194 1.00 38.09 O ATOM 1902 H ASP A 823 -16.513 -10.101 101.368 1.00 0.00 H ATOM 1903 N MET A 824 -14.053 -11.358 99.655 1.00 31.34 N ATOM 1904 CA MET A 824 -13.290 -12.103 98.666 1.00 31.66 C ATOM 1905 C MET A 824 -11.816 -12.067 99.033 1.00 27.33 C ATOM 1906 O MET A 824 -11.287 -11.032 99.450 1.00 32.39 O ATOM 1907 CB MET A 824 -13.426 -11.454 97.285 1.00 32.00 C ATOM 1908 CG MET A 824 -14.741 -11.633 96.565 1.00 36.34 C ATOM 1909 SD MET A 824 -14.484 -11.137 94.838 1.00 38.71 S ATOM 1910 CE MET A 824 -16.157 -10.742 94.336 1.00 48.40 C ATOM 1911 H MET A 824 -14.698 -10.601 99.350 1.00 0.00 H ATOM 1912 N SER A 825 -11.145 -13.200 98.855 1.00 30.22 N ATOM 1913 CA SER A 825 -9.706 -13.226 99.038 1.00 32.27 C ATOM 1914 C SER A 825 -9.027 -12.435 97.921 1.00 30.59 C ATOM 1915 O SER A 825 -9.637 -12.097 96.901 1.00 30.39 O ATOM 1916 CB SER A 825 -9.199 -14.663 99.016 1.00 33.75 C ATOM 1917 OG SER A 825 -9.273 -15.206 97.708 1.00 32.94 O ATOM 1918 HG SER A 825 -8.939 -16.138 97.719 1.00 0.00 H ATOM 1919 H SER A 825 -11.651 -14.067 98.585 1.00 0.00 H ATOM 1920 N ASN A 826 -7.744 -12.127 98.125 1.00 29.62 N ATOM 1921 CA ASN A 826 -6.989 -11.441 97.078 1.00 31.15 C ATOM 1922 C ASN A 826 -7.005 -12.235 95.779 1.00 32.70 C ATOM 1923 O ASN A 826 -7.159 -11.663 94.690 1.00 30.96 O ATOM 1924 CB ASN A 826 -5.553 -11.199 97.540 1.00 30.85 C ATOM 1925 CG ASN A 826 -5.437 -10.042 98.511 1.00 38.45 C ATOM 1926 OD1 ASN A 826 -6.381 -9.276 98.708 1.00 34.02 O ATOM 1927 ND2 ASN A 826 -4.266 -9.902 99.118 1.00 39.32 N ATOM 1928 HD22 ASN A 826 -3.495 -10.572 98.922 1.00 0.00 H ATOM 1929 HD21 ASN A 826 -4.119 -9.122 99.790 1.00 0.00 H ATOM 1930 H ASN A 826 -7.284 -12.374 99.024 1.00 0.00 H ATOM 1931 N GLN A 827 -6.862 -13.558 95.870 1.00 32.02 N ATOM 1932 CA GLN A 827 -6.904 -14.371 94.659 1.00 33.59 C ATOM 1933 C GLN A 827 -8.287 -14.329 94.016 1.00 33.31 C ATOM 1934 O GLN A 827 -8.397 -14.263 92.786 1.00 33.49 O ATOM 1935 CB GLN A 827 -6.459 -15.805 94.954 1.00 37.74 C ATOM 1936 CG GLN A 827 -6.347 -16.687 93.712 1.00 44.17 C ATOM 1937 CD GLN A 827 -5.682 -15.979 92.529 1.00 54.51 C ATOM 1938 OE1 GLN A 827 -4.567 -15.464 92.642 1.00 56.72 O ATOM 1939 NE2 GLN A 827 -6.372 -15.954 91.387 1.00 49.94 N ATOM 1940 HE22 GLN A 827 -7.310 -16.401 91.336 1.00 0.00 H ATOM 1941 HE21 GLN A 827 -5.972 -15.487 90.548 1.00 0.00 H ATOM 1942 H GLN A 827 -6.722 -14.007 96.798 1.00 0.00 H ATOM 1943 N ASP A 828 -9.350 -14.342 94.833 1.00 31.62 N ATOM 1944 CA ASP A 828 -10.705 -14.174 94.307 1.00 30.29 C ATOM 1945 C ASP A 828 -10.846 -12.852 93.557 1.00 29.75 C ATOM 1946 O ASP A 828 -11.543 -12.784 92.538 1.00 27.00 O ATOM 1947 CB ASP A 828 -11.748 -14.207 95.436 1.00 33.62 C ATOM 1948 CG ASP A 828 -11.808 -15.542 96.184 1.00 39.69 C ATOM 1949 OD1 ASP A 828 -11.579 -16.603 95.566 1.00 36.87 O ATOM 1950 OD2 ASP A 828 -12.109 -15.517 97.407 1.00 43.07 O ATOM 1951 H ASP A 828 -9.209 -14.473 95.855 1.00 0.00 H ATOM 1952 N VAL A 829 -10.222 -11.781 94.071 1.00 28.46 N ATOM 1953 CA VAL A 829 -10.339 -10.467 93.433 1.00 26.72 C ATOM 1954 C VAL A 829 -9.668 -10.466 92.068 1.00 27.22 C ATOM 1955 O VAL A 829 -10.247 -10.004 91.078 1.00 27.13 O ATOM 1956 CB VAL A 829 -9.776 -9.363 94.346 1.00 26.80 C ATOM 1957 CG1 VAL A 829 -9.729 -8.026 93.589 1.00 26.43 C ATOM 1958 CG2 VAL A 829 -10.628 -9.237 95.590 1.00 26.77 C ATOM 1959 H VAL A 829 -9.649 -11.885 94.932 1.00 0.00 H ATOM 1960 N ILE A 830 -8.426 -10.949 92.006 1.00 28.92 N ATOM 1961 CA ILE A 830 -7.723 -11.058 90.729 1.00 28.26 C ATOM 1962 C ILE A 830 -8.524 -11.896 89.744 1.00 30.81 C ATOM 1963 O ILE A 830 -8.652 -11.546 88.564 1.00 30.44 O ATOM 1964 CB ILE A 830 -6.314 -11.624 90.965 1.00 30.10 C ATOM 1965 CG1 ILE A 830 -5.462 -10.583 91.690 1.00 33.04 C ATOM 1966 CG2 ILE A 830 -5.677 -12.039 89.646 1.00 34.69 C ATOM 1967 CD1 ILE A 830 -4.249 -11.156 92.374 1.00 35.91 C ATOM 1968 H ILE A 830 -7.951 -11.253 92.880 1.00 0.00 H ATOM 1969 N ASN A 831 -9.089 -13.008 90.217 1.00 30.10 N ATOM 1970 CA ASN A 831 -9.916 -13.853 89.364 1.00 29.47 C ATOM 1971 C ASN A 831 -11.134 -13.096 88.841 1.00 28.20 C ATOM 1972 O ASN A 831 -11.469 -13.188 87.656 1.00 27.78 O ATOM 1973 CB ASN A 831 -10.330 -15.094 90.155 1.00 30.57 C ATOM 1974 CG ASN A 831 -11.382 -15.909 89.455 1.00 29.95 C ATOM 1975 OD1 ASN A 831 -12.561 -15.555 89.452 1.00 30.63 O ATOM 1976 ND2 ASN A 831 -10.962 -17.014 88.842 1.00 34.12 N ATOM 1977 HD22 ASN A 831 -9.955 -17.274 88.871 1.00 0.00 H ATOM 1978 HD21 ASN A 831 -11.640 -17.617 88.334 1.00 0.00 H ATOM 1979 H ASN A 831 -8.937 -13.276 91.210 1.00 0.00 H ATOM 1980 N ALA A 832 -11.809 -12.340 89.711 1.00 27.70 N ATOM 1981 CA ALA A 832 -13.000 -11.607 89.294 1.00 25.04 C ATOM 1982 C ALA A 832 -12.660 -10.575 88.228 1.00 27.33 C ATOM 1983 O ALA A 832 -13.360 -10.455 87.216 1.00 27.37 O ATOM 1984 CB ALA A 832 -13.644 -10.929 90.506 1.00 25.14 C ATOM 1985 H ALA A 832 -11.482 -12.273 90.696 1.00 0.00 H ATOM 1986 N ILE A 833 -11.593 -9.805 88.454 1.00 27.49 N ATOM 1987 CA ILE A 833 -11.181 -8.809 87.469 1.00 27.68 C ATOM 1988 C ILE A 833 -10.867 -9.478 86.138 1.00 30.95 C ATOM 1989 O ILE A 833 -11.212 -8.960 85.068 1.00 29.71 O ATOM 1990 CB ILE A 833 -9.998 -7.986 88.014 1.00 29.25 C ATOM 1991 CG1 ILE A 833 -10.443 -7.194 89.244 1.00 29.31 C ATOM 1992 CG2 ILE A 833 -9.418 -7.073 86.939 1.00 27.97 C ATOM 1993 CD1 ILE A 833 -11.602 -6.282 88.989 1.00 33.70 C ATOM 1994 H ILE A 833 -11.053 -9.915 89.336 1.00 0.00 H ATOM 1995 N GLU A 834 -10.235 -10.657 86.184 1.00 28.95 N ATOM 1996 CA GLU A 834 -9.910 -11.364 84.943 1.00 30.22 C ATOM 1997 C GLU A 834 -11.163 -11.840 84.210 1.00 34.42 C ATOM 1998 O GLU A 834 -11.157 -11.945 82.973 1.00 31.91 O ATOM 1999 CB GLU A 834 -8.955 -12.523 85.242 1.00 32.66 C ATOM 2000 CG GLU A 834 -8.564 -13.379 84.024 1.00 40.11 C ATOM 2001 CD GLU A 834 -7.928 -12.575 82.898 1.00 44.67 C ATOM 2002 OE1 GLU A 834 -7.284 -11.538 83.176 1.00 45.05 O ATOM 2003 OE2 GLU A 834 -8.070 -12.989 81.724 1.00 42.90 O ATOM 2004 H GLU A 834 -9.974 -11.071 87.102 1.00 0.00 H ATOM 2005 N GLN A 835 -12.240 -12.132 84.941 1.00 29.07 N ATOM 2006 CA GLN A 835 -13.542 -12.420 84.342 1.00 27.04 C ATOM 2007 C GLN A 835 -14.236 -11.187 83.783 1.00 24.85 C ATOM 2008 O GLN A 835 -15.367 -11.314 83.293 1.00 27.78 O ATOM 2009 CB GLN A 835 -14.482 -13.066 85.371 1.00 27.73 C ATOM 2010 CG GLN A 835 -14.072 -14.429 85.854 1.00 29.55 C ATOM 2011 CD GLN A 835 -15.175 -15.075 86.659 1.00 29.09 C ATOM 2012 OE1 GLN A 835 -16.322 -15.153 86.201 1.00 29.92 O ATOM 2013 NE2 GLN A 835 -14.847 -15.519 87.869 1.00 28.04 N ATOM 2014 HE22 GLN A 835 -13.868 -15.430 88.208 1.00 0.00 H ATOM 2015 HE21 GLN A 835 -15.570 -15.955 88.476 1.00 0.00 H ATOM 2016 H GLN A 835 -12.150 -12.156 85.977 1.00 0.00 H ATOM 2017 N ASP A 836 -13.609 -10.010 83.857 1.00 26.79 N ATOM 2018 CA ASP A 836 -14.190 -8.729 83.448 1.00 28.07 C ATOM 2019 C ASP A 836 -15.302 -8.270 84.376 1.00 28.98 C ATOM 2020 O ASP A 836 -16.065 -7.359 84.031 1.00 30.07 O ATOM 2021 CB ASP A 836 -14.642 -8.686 81.982 1.00 30.92 C ATOM 2022 CG ASP A 836 -13.495 -8.885 81.017 1.00 38.36 C ATOM 2023 OD1 ASP A 836 -12.387 -8.379 81.286 1.00 36.50 O ATOM 2024 OD2 ASP A 836 -13.698 -9.553 79.989 1.00 39.61 O ATOM 2025 H ASP A 836 -12.639 -10.002 84.232 1.00 0.00 H ATOM 2026 N TYR A 837 -15.419 -8.883 85.547 1.00 27.38 N ATOM 2027 CA TYR A 837 -16.351 -8.393 86.546 1.00 26.78 C ATOM 2028 C TYR A 837 -15.847 -7.074 87.114 1.00 26.02 C ATOM 2029 O TYR A 837 -14.642 -6.867 87.271 1.00 26.75 O ATOM 2030 CB TYR A 837 -16.434 -9.411 87.684 1.00 27.90 C ATOM 2031 CG TYR A 837 -17.212 -8.935 88.894 1.00 25.62 C ATOM 2032 CD1 TYR A 837 -18.591 -9.057 88.934 1.00 26.34 C ATOM 2033 CD2 TYR A 837 -16.566 -8.346 89.973 1.00 26.99 C ATOM 2034 CE1 TYR A 837 -19.323 -8.626 90.033 1.00 26.67 C ATOM 2035 CE2 TYR A 837 -17.284 -7.905 91.084 1.00 25.61 C ATOM 2036 CZ TYR A 837 -18.654 -8.042 91.094 1.00 26.61 C ATOM 2037 OH TYR A 837 -19.355 -7.607 92.200 1.00 27.13 O ATOM 2038 HH TYR A 837 -20.322 -7.770 92.062 1.00 0.00 H ATOM 2039 H TYR A 837 -14.838 -9.721 85.751 1.00 0.00 H ATOM 2040 N ARG A 838 -16.783 -6.183 87.429 1.00 25.32 N ATOM 2041 CA ARG A 838 -16.459 -4.949 88.127 1.00 26.60 C ATOM 2042 C ARG A 838 -17.485 -4.738 89.226 1.00 24.61 C ATOM 2043 O ARG A 838 -18.648 -5.133 89.092 1.00 25.01 O ATOM 2044 CB ARG A 838 -16.486 -3.752 87.168 1.00 24.87 C ATOM 2045 CG ARG A 838 -15.434 -3.825 86.051 1.00 26.01 C ATOM 2046 CD ARG A 838 -14.019 -3.772 86.617 1.00 24.51 C ATOM 2047 NE ARG A 838 -13.005 -3.706 85.551 1.00 26.34 N ATOM 2048 CZ ARG A 838 -12.400 -4.762 85.015 1.00 27.55 C ATOM 2049 NH1 ARG A 838 -12.695 -5.995 85.413 1.00 27.89 N ATOM 2050 NH2 ARG A 838 -11.485 -4.574 84.073 1.00 26.45 N ATOM 2051 HE ARG A 838 -12.743 -2.766 85.192 1.00 0.00 H ATOM 2052 HH12 ARG A 838 -12.212 -6.810 84.983 1.00 0.00 H ATOM 2053 HH11 ARG A 838 -13.409 -6.145 86.154 1.00 0.00 H ATOM 2054 HH22 ARG A 838 -11.004 -5.391 83.645 1.00 0.00 H ATOM 2055 HH21 ARG A 838 -11.249 -3.610 83.762 1.00 0.00 H ATOM 2056 H ARG A 838 -17.772 -6.374 87.169 1.00 0.00 H ATOM 2057 N LEU A 839 -17.051 -4.078 90.296 1.00 25.56 N ATOM 2058 CA LEU A 839 -17.918 -3.839 91.439 1.00 24.44 C ATOM 2059 C LEU A 839 -19.202 -3.129 91.005 1.00 24.04 C ATOM 2060 O LEU A 839 -19.189 -2.300 90.090 1.00 25.62 O ATOM 2061 CB LEU A 839 -17.169 -2.994 92.462 1.00 24.14 C ATOM 2062 CG LEU A 839 -16.081 -3.769 93.202 1.00 24.77 C ATOM 2063 CD1 LEU A 839 -15.195 -2.808 93.970 1.00 25.05 C ATOM 2064 CD2 LEU A 839 -16.715 -4.798 94.137 1.00 26.29 C ATOM 2065 H LEU A 839 -16.073 -3.726 90.316 1.00 0.00 H ATOM 2066 N PRO A 840 -20.324 -3.442 91.649 1.00 25.48 N ATOM 2067 CA PRO A 840 -21.631 -2.932 91.212 1.00 28.66 C ATOM 2068 C PRO A 840 -21.904 -1.560 91.799 1.00 25.46 C ATOM 2069 O PRO A 840 -21.161 -1.086 92.672 1.00 26.27 O ATOM 2070 CB PRO A 840 -22.600 -3.963 91.808 1.00 29.95 C ATOM 2071 CG PRO A 840 -21.926 -4.358 93.084 1.00 31.09 C ATOM 2072 CD PRO A 840 -20.450 -4.425 92.739 1.00 27.01 C ATOM 2073 N PRO A 841 -22.954 -0.880 91.350 1.00 25.23 N ATOM 2074 CA PRO A 841 -23.321 0.391 91.990 1.00 26.85 C ATOM 2075 C PRO A 841 -23.753 0.155 93.426 1.00 27.72 C ATOM 2076 O PRO A 841 -24.597 -0.712 93.704 1.00 28.99 O ATOM 2077 CB PRO A 841 -24.484 0.914 91.129 1.00 28.62 C ATOM 2078 CG PRO A 841 -24.990 -0.277 90.377 1.00 33.75 C ATOM 2079 CD PRO A 841 -23.832 -1.219 90.215 1.00 29.27 C ATOM 2080 N PRO A 842 -23.160 0.862 94.379 1.00 26.61 N ATOM 2081 CA PRO A 842 -23.614 0.748 95.760 1.00 27.22 C ATOM 2082 C PRO A 842 -25.051 1.221 95.880 1.00 27.94 C ATOM 2083 O PRO A 842 -25.556 1.947 95.013 1.00 29.67 O ATOM 2084 CB PRO A 842 -22.655 1.676 96.521 1.00 31.19 C ATOM 2085 CG PRO A 842 -21.435 1.782 95.638 1.00 28.28 C ATOM 2086 CD PRO A 842 -21.967 1.711 94.240 1.00 26.42 C ATOM 2087 N PRO A 843 -25.748 0.814 96.937 1.00 31.21 N ATOM 2088 CA PRO A 843 -27.114 1.302 97.159 1.00 33.21 C ATOM 2089 C PRO A 843 -27.194 2.821 97.077 1.00 30.28 C ATOM 2090 O PRO A 843 -26.378 3.539 97.669 1.00 30.92 O ATOM 2091 CB PRO A 843 -27.428 0.805 98.572 1.00 31.73 C ATOM 2092 CG PRO A 843 -26.583 -0.428 98.732 1.00 34.25 C ATOM 2093 CD PRO A 843 -25.325 -0.175 97.943 1.00 33.64 C ATOM 2094 N ASP A 844 -28.188 3.305 96.329 1.00 31.52 N ATOM 2095 CA ASP A 844 -28.488 4.723 96.139 1.00 35.32 C ATOM 2096 C ASP A 844 -27.454 5.457 95.296 1.00 34.94 C ATOM 2097 O ASP A 844 -27.520 6.689 95.182 1.00 38.04 O ATOM 2098 CB ASP A 844 -28.720 5.476 97.457 1.00 38.10 C ATOM 2099 CG ASP A 844 -29.736 4.792 98.346 1.00 46.87 C ATOM 2100 OD1 ASP A 844 -30.773 4.334 97.823 1.00 50.06 O ATOM 2101 OD2 ASP A 844 -29.491 4.707 99.569 1.00 53.70 O ATOM 2102 H ASP A 844 -28.798 2.618 95.842 1.00 0.00 H ATOM 2103 N CYS A 845 -26.497 4.750 94.710 1.00 31.78 N ATOM 2104 CA CYS A 845 -25.452 5.444 93.964 1.00 32.78 C ATOM 2105 C CYS A 845 -25.984 5.859 92.599 1.00 29.50 C ATOM 2106 O CYS A 845 -26.546 5.025 91.885 1.00 30.82 O ATOM 2107 CB CYS A 845 -24.240 4.543 93.783 1.00 29.18 C ATOM 2108 SG CYS A 845 -22.907 5.304 92.858 1.00 28.89 S ATOM 2109 H CYS A 845 -26.491 3.712 94.781 1.00 0.00 H ATOM 2110 N PRO A 846 -25.837 7.124 92.212 1.00 28.64 N ATOM 2111 CA PRO A 846 -26.265 7.536 90.868 1.00 30.89 C ATOM 2112 C PRO A 846 -25.564 6.722 89.793 1.00 30.22 C ATOM 2113 O PRO A 846 -24.373 6.419 89.886 1.00 27.98 O ATOM 2114 CB PRO A 846 -25.843 9.007 90.800 1.00 37.25 C ATOM 2115 CG PRO A 846 -25.802 9.454 92.205 1.00 34.33 C ATOM 2116 CD PRO A 846 -25.358 8.263 93.010 1.00 32.07 C ATOM 2117 N THR A 847 -26.323 6.364 88.755 1.00 30.69 N ATOM 2118 CA THR A 847 -25.734 5.603 87.664 1.00 27.95 C ATOM 2119 C THR A 847 -24.540 6.326 87.047 1.00 28.27 C ATOM 2120 O THR A 847 -23.572 5.679 86.626 1.00 27.56 O ATOM 2121 CB THR A 847 -26.815 5.295 86.615 1.00 30.22 C ATOM 2122 OG1 THR A 847 -27.897 4.602 87.254 1.00 37.00 O ATOM 2123 CG2 THR A 847 -26.254 4.414 85.518 1.00 33.13 C ATOM 2124 HG1 THR A 847 -28.598 4.399 86.585 1.00 0.00 H ATOM 2125 H THR A 847 -27.329 6.627 88.726 1.00 0.00 H ATOM 2126 N SER A 848 -24.576 7.659 86.977 1.00 27.98 N ATOM 2127 CA SER A 848 -23.479 8.367 86.323 1.00 31.39 C ATOM 2128 C SER A 848 -22.186 8.261 87.123 1.00 27.86 C ATOM 2129 O SER A 848 -21.098 8.239 86.538 1.00 28.76 O ATOM 2130 CB SER A 848 -23.844 9.829 86.085 1.00 37.40 C ATOM 2131 OG SER A 848 -23.956 10.536 87.303 1.00 39.12 O ATOM 2132 HG SER A 848 -24.193 11.479 87.115 1.00 0.00 H ATOM 2133 H SER A 848 -25.375 8.186 87.383 1.00 0.00 H ATOM 2134 N LEU A 849 -22.283 8.188 88.453 1.00 26.40 N ATOM 2135 CA LEU A 849 -21.090 7.975 89.270 1.00 26.08 C ATOM 2136 C LEU A 849 -20.543 6.570 89.076 1.00 27.30 C ATOM 2137 O LEU A 849 -19.320 6.372 88.999 1.00 25.04 O ATOM 2138 CB LEU A 849 -21.421 8.218 90.744 1.00 28.71 C ATOM 2139 CG LEU A 849 -21.350 9.672 91.209 1.00 30.17 C ATOM 2140 CD1 LEU A 849 -21.827 9.761 92.652 1.00 32.32 C ATOM 2141 CD2 LEU A 849 -19.945 10.250 91.058 1.00 27.84 C ATOM 2142 H LEU A 849 -23.212 8.283 88.910 1.00 0.00 H ATOM 2143 N HIS A 850 -21.430 5.573 89.013 1.00 24.72 N ATOM 2144 CA HIS A 850 -20.944 4.221 88.787 1.00 24.53 C ATOM 2145 C HIS A 850 -20.324 4.086 87.406 1.00 25.25 C ATOM 2146 O HIS A 850 -19.329 3.378 87.244 1.00 23.93 O ATOM 2147 CB HIS A 850 -22.039 3.184 89.015 1.00 27.08 C ATOM 2148 CG HIS A 850 -21.577 1.776 88.812 1.00 24.96 C ATOM 2149 ND1 HIS A 850 -21.935 1.028 87.708 1.00 26.88 N ATOM 2150 CD2 HIS A 850 -20.765 0.986 89.557 1.00 24.69 C ATOM 2151 CE1 HIS A 850 -21.372 -0.166 87.790 1.00 26.48 C ATOM 2152 NE2 HIS A 850 -20.652 -0.216 88.899 1.00 27.39 N ATOM 2153 H HIS A 850 -22.447 5.760 89.123 1.00 0.00 H ATOM 2154 N GLN A 851 -20.882 4.770 86.399 1.00 25.56 N ATOM 2155 CA GLN A 851 -20.256 4.726 85.083 1.00 23.45 C ATOM 2156 C GLN A 851 -18.851 5.299 85.129 1.00 25.32 C ATOM 2157 O GLN A 851 -17.939 4.768 84.492 1.00 25.11 O ATOM 2158 CB GLN A 851 -21.099 5.479 84.056 1.00 25.68 C ATOM 2159 CG GLN A 851 -20.521 5.391 82.643 1.00 26.01 C ATOM 2160 CD GLN A 851 -20.384 3.955 82.152 1.00 25.78 C ATOM 2161 OE1 GLN A 851 -21.367 3.209 82.101 1.00 31.06 O ATOM 2162 NE2 GLN A 851 -19.168 3.560 81.792 1.00 27.36 N ATOM 2163 HE22 GLN A 851 -18.368 4.222 81.851 1.00 0.00 H ATOM 2164 HE21 GLN A 851 -19.016 2.589 81.451 1.00 0.00 H ATOM 2165 H GLN A 851 -21.749 5.324 86.553 1.00 0.00 H ATOM 2166 N LEU A 852 -18.649 6.366 85.906 1.00 24.71 N ATOM 2167 CA LEU A 852 -17.311 6.927 86.034 1.00 24.45 C ATOM 2168 C LEU A 852 -16.365 5.927 86.695 1.00 25.04 C ATOM 2169 O LEU A 852 -15.194 5.811 86.301 1.00 23.26 O ATOM 2170 CB LEU A 852 -17.386 8.263 86.776 1.00 24.52 C ATOM 2171 CG LEU A 852 -16.103 9.063 87.000 1.00 25.37 C ATOM 2172 CD1 LEU A 852 -15.341 9.290 85.704 1.00 28.44 C ATOM 2173 CD2 LEU A 852 -16.441 10.394 87.666 1.00 27.69 C ATOM 2174 H LEU A 852 -19.445 6.796 86.419 1.00 0.00 H ATOM 2175 N MET A 853 -16.864 5.172 87.683 1.00 22.53 N ATOM 2176 CA MET A 853 -16.083 4.075 88.253 1.00 22.31 C ATOM 2177 C MET A 853 -15.668 3.081 87.181 1.00 23.20 C ATOM 2178 O MET A 853 -14.500 2.687 87.111 1.00 23.45 O ATOM 2179 CB MET A 853 -16.890 3.342 89.322 1.00 22.83 C ATOM 2180 CG MET A 853 -17.187 4.165 90.552 1.00 22.45 C ATOM 2181 SD MET A 853 -18.244 3.224 91.663 1.00 24.52 S ATOM 2182 CE MET A 853 -18.992 4.568 92.584 1.00 26.43 C ATOM 2183 H MET A 853 -17.818 5.368 88.049 1.00 0.00 H ATOM 2184 N LEU A 854 -16.627 2.646 86.351 1.00 24.09 N ATOM 2185 CA LEU A 854 -16.317 1.692 85.287 1.00 23.95 C ATOM 2186 C LEU A 854 -15.260 2.246 84.340 1.00 24.99 C ATOM 2187 O LEU A 854 -14.369 1.509 83.898 1.00 25.32 O ATOM 2188 CB LEU A 854 -17.588 1.334 84.515 1.00 24.44 C ATOM 2189 CG LEU A 854 -18.686 0.641 85.326 1.00 23.71 C ATOM 2190 CD1 LEU A 854 -19.838 0.237 84.400 1.00 24.26 C ATOM 2191 CD2 LEU A 854 -18.144 -0.572 86.044 1.00 25.38 C ATOM 2192 H LEU A 854 -17.602 2.991 86.465 1.00 0.00 H ATOM 2193 N ASP A 855 -15.331 3.547 84.037 1.00 22.35 N ATOM 2194 CA ASP A 855 -14.309 4.172 83.199 1.00 23.91 C ATOM 2195 C ASP A 855 -12.926 4.060 83.832 1.00 26.38 C ATOM 2196 O ASP A 855 -11.934 3.805 83.138 1.00 24.10 O ATOM 2197 CB ASP A 855 -14.628 5.651 82.960 1.00 25.38 C ATOM 2198 CG ASP A 855 -15.949 5.882 82.235 1.00 29.95 C ATOM 2199 OD1 ASP A 855 -16.480 4.958 81.578 1.00 28.52 O ATOM 2200 OD2 ASP A 855 -16.445 7.030 82.312 1.00 32.84 O ATOM 2201 H ASP A 855 -16.120 4.119 84.401 1.00 0.00 H ATOM 2202 N CYS A 856 -12.833 4.268 85.152 1.00 21.51 N ATOM 2203 CA CYS A 856 -11.552 4.143 85.838 1.00 24.02 C ATOM 2204 C CYS A 856 -11.023 2.713 85.839 1.00 21.34 C ATOM 2205 O CYS A 856 -9.811 2.518 86.002 1.00 24.89 O ATOM 2206 CB CYS A 856 -11.673 4.611 87.295 1.00 23.04 C ATOM 2207 SG CYS A 856 -12.056 6.351 87.487 1.00 25.55 S ATOM 2208 H CYS A 856 -13.684 4.521 85.694 1.00 0.00 H ATOM 2209 N TRP A 857 -11.896 1.715 85.689 1.00 23.00 N ATOM 2210 CA TRP A 857 -11.518 0.312 85.817 1.00 24.72 C ATOM 2211 C TRP A 857 -11.361 -0.385 84.472 1.00 26.92 C ATOM 2212 O TRP A 857 -11.525 -1.601 84.377 1.00 25.95 O ATOM 2213 CB TRP A 857 -12.528 -0.450 86.670 1.00 22.44 C ATOM 2214 CG TRP A 857 -12.684 0.031 88.084 1.00 22.43 C ATOM 2215 CD1 TRP A 857 -11.732 0.605 88.882 1.00 23.87 C ATOM 2216 CD2 TRP A 857 -13.884 -0.030 88.855 1.00 22.58 C ATOM 2217 NE1 TRP A 857 -12.276 0.895 90.124 1.00 23.74 N ATOM 2218 CE2 TRP A 857 -13.597 0.526 90.117 1.00 23.49 C ATOM 2219 CE3 TRP A 857 -15.178 -0.498 88.597 1.00 23.78 C ATOM 2220 CZ2 TRP A 857 -14.555 0.608 91.130 1.00 25.23 C ATOM 2221 CZ3 TRP A 857 -16.135 -0.411 89.604 1.00 23.43 C ATOM 2222 CH2 TRP A 857 -15.811 0.145 90.855 1.00 23.33 C ATOM 2223 HE1 TRP A 857 -11.768 1.321 90.926 1.00 0.00 H ATOM 2224 H TRP A 857 -12.886 1.947 85.472 1.00 0.00 H ATOM 2225 N GLN A 858 -11.053 0.356 83.423 1.00 24.86 N ATOM 2226 CA GLN A 858 -10.768 -0.301 82.157 1.00 25.99 C ATOM 2227 C GLN A 858 -9.430 -1.025 82.227 1.00 26.69 C ATOM 2228 O GLN A 858 -8.452 -0.516 82.778 1.00 24.77 O ATOM 2229 CB GLN A 858 -10.783 0.720 81.029 1.00 28.36 C ATOM 2230 CG GLN A 858 -12.169 1.233 80.744 1.00 27.70 C ATOM 2231 CD GLN A 858 -12.158 2.327 79.723 1.00 29.53 C ATOM 2232 OE1 GLN A 858 -12.143 2.062 78.524 1.00 34.05 O ATOM 2233 NE2 GLN A 858 -12.160 3.565 80.177 1.00 24.76 N ATOM 2234 HE22 GLN A 858 -12.173 3.743 81.202 1.00 0.00 H ATOM 2235 HE21 GLN A 858 -12.149 4.363 79.511 1.00 0.00 H ATOM 2236 H GLN A 858 -11.015 1.392 83.501 1.00 0.00 H ATOM 2237 N LYS A 859 -9.400 -2.241 81.672 1.00 27.82 N ATOM 2238 CA LYS A 859 -8.163 -3.011 81.667 1.00 31.95 C ATOM 2239 C LYS A 859 -7.073 -2.270 80.901 1.00 27.52 C ATOM 2240 O LYS A 859 -5.915 -2.236 81.331 1.00 31.01 O ATOM 2241 CB LYS A 859 -8.393 -4.397 81.061 1.00 36.45 C ATOM 2242 CG LYS A 859 -7.158 -5.278 81.148 1.00 34.91 C ATOM 2243 CD LYS A 859 -7.278 -6.519 80.272 1.00 43.06 C ATOM 2244 CE LYS A 859 -8.148 -7.578 80.925 1.00 48.42 C ATOM 2245 NZ LYS A 859 -7.983 -8.911 80.271 1.00 50.74 N ATOM 2246 HZ1 LYS A 859 -8.251 -8.840 79.269 1.00 0.00 H ATOM 2247 HZ2 LYS A 859 -6.990 -9.212 80.345 1.00 0.00 H ATOM 2248 HZ3 LYS A 859 -8.593 -9.607 80.746 1.00 0.00 H ATOM 2249 H LYS A 859 -10.261 -2.638 81.243 1.00 0.00 H ATOM 2250 N ASP A 860 -7.432 -1.662 79.770 1.00 30.19 N ATOM 2251 CA ASP A 860 -6.504 -0.840 78.998 1.00 29.47 C ATOM 2252 C ASP A 860 -6.264 0.467 79.748 1.00 27.38 C ATOM 2253 O ASP A 860 -7.140 1.341 79.762 1.00 28.05 O ATOM 2254 CB ASP A 860 -7.114 -0.572 77.624 1.00 29.39 C ATOM 2255 CG ASP A 860 -6.239 0.326 76.753 1.00 33.45 C ATOM 2256 OD1 ASP A 860 -5.080 0.600 77.135 1.00 33.86 O ATOM 2257 OD2 ASP A 860 -6.705 0.728 75.656 1.00 39.62 O ATOM 2258 H ASP A 860 -8.407 -1.777 79.426 1.00 0.00 H ATOM 2259 N ARG A 861 -5.071 0.610 80.343 1.00 27.53 N ATOM 2260 CA ARG A 861 -4.777 1.798 81.141 1.00 25.48 C ATOM 2261 C ARG A 861 -4.878 3.077 80.317 1.00 28.97 C ATOM 2262 O ARG A 861 -5.205 4.135 80.867 1.00 29.56 O ATOM 2263 CB ARG A 861 -3.408 1.684 81.819 1.00 27.40 C ATOM 2264 CG ARG A 861 -2.233 1.634 80.828 1.00 29.26 C ATOM 2265 CD ARG A 861 -0.926 1.623 81.579 1.00 34.60 C ATOM 2266 NE ARG A 861 0.212 1.679 80.668 1.00 37.17 N ATOM 2267 CZ ARG A 861 1.477 1.646 81.067 1.00 41.52 C ATOM 2268 NH1 ARG A 861 1.762 1.551 82.364 1.00 36.56 N ATOM 2269 NH2 ARG A 861 2.454 1.701 80.172 1.00 40.96 N ATOM 2270 HE ARG A 861 0.021 1.749 79.648 1.00 0.00 H ATOM 2271 HH12 ARG A 861 2.753 1.525 82.678 1.00 0.00 H ATOM 2272 HH11 ARG A 861 0.994 1.503 83.063 1.00 0.00 H ATOM 2273 HH22 ARG A 861 3.446 1.675 80.483 1.00 0.00 H ATOM 2274 HH21 ARG A 861 2.228 1.770 79.159 1.00 0.00 H ATOM 2275 H ARG A 861 -4.349 -0.131 80.236 1.00 0.00 H ATOM 2276 N ASN A 862 -4.616 3.006 78.999 1.00 27.82 N ATOM 2277 CA ASN A 862 -4.674 4.206 78.170 1.00 28.68 C ATOM 2278 C ASN A 862 -6.091 4.710 77.953 1.00 26.05 C ATOM 2279 O ASN A 862 -6.269 5.876 77.578 1.00 32.01 O ATOM 2280 CB ASN A 862 -4.009 3.934 76.817 1.00 29.65 C ATOM 2281 CG ASN A 862 -2.581 3.503 76.973 1.00 37.62 C ATOM 2282 OD1 ASN A 862 -1.818 4.122 77.714 1.00 36.38 O ATOM 2283 ND2 ASN A 862 -2.205 2.427 76.289 1.00 48.82 N ATOM 2284 HD22 ASN A 862 -2.886 1.937 75.675 1.00 0.00 H ATOM 2285 HD21 ASN A 862 -1.229 2.075 76.368 1.00 0.00 H ATOM 2286 H ASN A 862 -4.371 2.091 78.569 1.00 0.00 H ATOM 2287 N ALA A 863 -7.101 3.869 78.177 1.00 25.37 N ATOM 2288 CA ALA A 863 -8.491 4.242 77.978 1.00 25.40 C ATOM 2289 C ALA A 863 -9.125 4.841 79.224 1.00 27.11 C ATOM 2290 O ALA A 863 -10.220 5.404 79.136 1.00 27.32 O ATOM 2291 CB ALA A 863 -9.307 3.021 77.569 1.00 26.72 C ATOM 2292 H ALA A 863 -6.885 2.907 78.508 1.00 0.00 H ATOM 2293 N ARG A 864 -8.478 4.702 80.375 1.00 24.74 N ATOM 2294 CA ARG A 864 -8.994 5.309 81.590 1.00 25.49 C ATOM 2295 C ARG A 864 -8.986 6.829 81.447 1.00 24.23 C ATOM 2296 O ARG A 864 -8.089 7.394 80.815 1.00 26.78 O ATOM 2297 CB ARG A 864 -8.098 4.903 82.751 1.00 23.14 C ATOM 2298 CG ARG A 864 -8.144 3.406 83.004 1.00 25.30 C ATOM 2299 CD ARG A 864 -7.229 2.969 84.149 1.00 24.68 C ATOM 2300 NE ARG A 864 -6.965 1.544 83.995 1.00 24.96 N ATOM 2301 CZ ARG A 864 -5.850 0.914 84.359 1.00 24.13 C ATOM 2302 NH1 ARG A 864 -4.860 1.548 84.974 1.00 23.87 N ATOM 2303 NH2 ARG A 864 -5.748 -0.386 84.076 1.00 25.19 N ATOM 2304 HE ARG A 864 -7.715 0.968 83.562 1.00 0.00 H ATOM 2305 HH12 ARG A 864 -4.001 1.030 85.247 1.00 0.00 H ATOM 2306 HH11 ARG A 864 -4.943 2.563 85.183 1.00 0.00 H ATOM 2307 HH22 ARG A 864 -4.892 -0.911 84.345 1.00 0.00 H ATOM 2308 HH21 ARG A 864 -6.525 -0.874 83.586 1.00 0.00 H ATOM 2309 H ARG A 864 -7.595 4.154 80.407 1.00 0.00 H ATOM 2310 N PRO A 865 -9.960 7.520 82.041 1.00 24.52 N ATOM 2311 CA PRO A 865 -9.879 8.982 82.101 1.00 24.19 C ATOM 2312 C PRO A 865 -8.653 9.387 82.901 1.00 26.48 C ATOM 2313 O PRO A 865 -8.223 8.673 83.806 1.00 24.45 O ATOM 2314 CB PRO A 865 -11.163 9.372 82.842 1.00 25.87 C ATOM 2315 CG PRO A 865 -11.454 8.170 83.713 1.00 24.01 C ATOM 2316 CD PRO A 865 -11.079 6.991 82.836 1.00 25.34 C ATOM 2317 N ARG A 866 -8.081 10.536 82.558 1.00 24.64 N ATOM 2318 CA ARG A 866 -7.046 11.134 83.392 1.00 25.79 C ATOM 2319 C ARG A 866 -7.691 11.992 84.476 1.00 23.08 C ATOM 2320 O ARG A 866 -8.868 12.336 84.410 1.00 24.28 O ATOM 2321 CB ARG A 866 -6.121 11.981 82.512 1.00 28.85 C ATOM 2322 CG ARG A 866 -5.294 11.143 81.536 1.00 28.35 C ATOM 2323 CD ARG A 866 -4.464 12.024 80.603 1.00 31.21 C ATOM 2324 NE ARG A 866 -5.284 13.007 79.899 1.00 39.92 N ATOM 2325 CZ ARG A 866 -5.846 12.786 78.718 1.00 40.00 C ATOM 2326 NH1 ARG A 866 -5.673 11.613 78.119 1.00 43.17 N ATOM 2327 NH2 ARG A 866 -6.583 13.732 78.134 1.00 36.02 N ATOM 2328 HE ARG A 866 -5.436 13.932 80.349 1.00 0.00 H ATOM 2329 HH12 ARG A 866 -6.111 11.432 77.193 1.00 0.00 H ATOM 2330 HH11 ARG A 866 -5.100 10.875 78.576 1.00 0.00 H ATOM 2331 HH22 ARG A 866 -7.021 13.552 77.208 1.00 0.00 H ATOM 2332 HH21 ARG A 866 -6.720 14.649 78.605 1.00 0.00 H ATOM 2333 H ARG A 866 -8.376 11.015 81.683 1.00 0.00 H ATOM 2334 N PHE A 867 -6.915 12.317 85.509 1.00 22.54 N ATOM 2335 CA PHE A 867 -7.507 13.068 86.614 1.00 24.86 C ATOM 2336 C PHE A 867 -8.202 14.367 86.211 1.00 23.11 C ATOM 2337 O PHE A 867 -9.294 14.633 86.743 1.00 24.14 O ATOM 2338 CB PHE A 867 -6.515 13.226 87.775 1.00 24.77 C ATOM 2339 CG PHE A 867 -6.376 11.978 88.610 1.00 23.83 C ATOM 2340 CD1 PHE A 867 -5.185 11.265 88.625 1.00 24.78 C ATOM 2341 CD2 PHE A 867 -7.458 11.497 89.338 1.00 22.54 C ATOM 2342 CE1 PHE A 867 -5.053 10.103 89.384 1.00 24.24 C ATOM 2343 CE2 PHE A 867 -7.337 10.335 90.088 1.00 22.12 C ATOM 2344 CZ PHE A 867 -6.134 9.635 90.104 1.00 23.05 C ATOM 2345 H PHE A 867 -5.912 12.043 85.529 1.00 0.00 H ATOM 2346 N PRO A 868 -7.687 15.183 85.283 1.00 25.88 N ATOM 2347 CA PRO A 868 -8.456 16.377 84.895 1.00 26.60 C ATOM 2348 C PRO A 868 -9.803 16.033 84.291 1.00 24.99 C ATOM 2349 O PRO A 868 -10.784 16.765 84.496 1.00 24.82 O ATOM 2350 CB PRO A 868 -7.540 17.081 83.879 1.00 26.01 C ATOM 2351 CG PRO A 868 -6.179 16.608 84.212 1.00 28.31 C ATOM 2352 CD PRO A 868 -6.349 15.175 84.670 1.00 28.43 C ATOM 2353 N GLN A 869 -9.885 14.913 83.563 1.00 24.27 N ATOM 2354 CA GLN A 869 -11.164 14.480 83.017 1.00 24.31 C ATOM 2355 C GLN A 869 -12.106 13.993 84.104 1.00 23.31 C ATOM 2356 O GLN A 869 -13.326 14.155 83.986 1.00 24.42 O ATOM 2357 CB GLN A 869 -10.931 13.391 81.966 1.00 23.14 C ATOM 2358 CG GLN A 869 -10.285 13.950 80.688 1.00 25.85 C ATOM 2359 CD GLN A 869 -9.776 12.870 79.782 1.00 25.59 C ATOM 2360 OE1 GLN A 869 -9.177 11.892 80.228 1.00 24.37 O ATOM 2361 NE2 GLN A 869 -9.989 13.049 78.469 1.00 24.73 N ATOM 2362 HE22 GLN A 869 -10.500 13.891 78.135 1.00 0.00 H ATOM 2363 HE21 GLN A 869 -9.643 12.346 77.785 1.00 0.00 H ATOM 2364 H GLN A 869 -9.030 14.348 83.386 1.00 0.00 H ATOM 2365 N ILE A 870 -11.564 13.402 85.167 1.00 25.52 N ATOM 2366 CA ILE A 870 -12.401 12.995 86.286 1.00 22.59 C ATOM 2367 C ILE A 870 -12.958 14.215 87.000 1.00 22.09 C ATOM 2368 O ILE A 870 -14.156 14.279 87.300 1.00 23.11 O ATOM 2369 CB ILE A 870 -11.604 12.078 87.220 1.00 21.58 C ATOM 2370 CG1 ILE A 870 -11.329 10.740 86.530 1.00 24.45 C ATOM 2371 CG2 ILE A 870 -12.340 11.889 88.550 1.00 23.52 C ATOM 2372 CD1 ILE A 870 -10.312 9.899 87.285 1.00 25.87 C ATOM 2373 H ILE A 870 -10.539 13.231 85.198 1.00 0.00 H ATOM 2374 N VAL A 871 -12.104 15.206 87.261 1.00 24.14 N ATOM 2375 CA VAL A 871 -12.575 16.422 87.923 1.00 26.77 C ATOM 2376 C VAL A 871 -13.652 17.103 87.086 1.00 25.85 C ATOM 2377 O VAL A 871 -14.692 17.514 87.606 1.00 25.55 O ATOM 2378 CB VAL A 871 -11.401 17.361 88.256 1.00 27.36 C ATOM 2379 CG1 VAL A 871 -11.929 18.655 88.866 1.00 28.73 C ATOM 2380 CG2 VAL A 871 -10.440 16.689 89.223 1.00 22.65 C ATOM 2381 H VAL A 871 -11.103 15.114 86.994 1.00 0.00 H ATOM 2382 N SER A 872 -13.441 17.186 85.766 1.00 26.20 N ATOM 2383 CA SER A 872 -14.446 17.775 84.880 1.00 26.70 C ATOM 2384 C SER A 872 -15.764 17.008 84.931 1.00 27.20 C ATOM 2385 O SER A 872 -16.844 17.613 84.928 1.00 30.53 O ATOM 2386 CB SER A 872 -13.918 17.815 83.442 1.00 25.30 C ATOM 2387 OG SER A 872 -12.810 18.684 83.319 1.00 29.71 O ATOM 2388 HG SER A 872 -12.081 18.373 83.912 1.00 0.00 H ATOM 2389 H SER A 872 -12.551 16.827 85.365 1.00 0.00 H ATOM 2390 N ALA A 873 -15.702 15.672 84.970 1.00 24.59 N ATOM 2391 CA ALA A 873 -16.919 14.873 85.025 1.00 24.66 C ATOM 2392 C ALA A 873 -17.680 15.109 86.322 1.00 28.47 C ATOM 2393 O ALA A 873 -18.911 15.199 86.326 1.00 26.99 O ATOM 2394 CB ALA A 873 -16.580 13.394 84.861 1.00 26.32 C ATOM 2395 H ALA A 873 -14.776 15.199 84.961 1.00 0.00 H ATOM 2396 N LEU A 874 -16.964 15.186 87.440 1.00 25.59 N ATOM 2397 CA LEU A 874 -17.630 15.440 88.705 1.00 27.09 C ATOM 2398 C LEU A 874 -18.211 16.845 88.739 1.00 30.03 C ATOM 2399 O LEU A 874 -19.301 17.057 89.282 1.00 32.27 O ATOM 2400 CB LEU A 874 -16.638 15.225 89.844 1.00 25.23 C ATOM 2401 CG LEU A 874 -16.178 13.776 90.001 1.00 25.01 C ATOM 2402 CD1 LEU A 874 -14.984 13.703 90.944 1.00 25.79 C ATOM 2403 CD2 LEU A 874 -17.304 12.884 90.513 1.00 26.94 C ATOM 2404 H LEU A 874 -15.932 15.065 87.408 1.00 0.00 H ATOM 2405 N ASP A 875 -17.498 17.819 88.163 1.00 27.58 N ATOM 2406 CA ASP A 875 -18.005 19.188 88.161 1.00 33.31 C ATOM 2407 C ASP A 875 -19.296 19.297 87.365 1.00 37.55 C ATOM 2408 O ASP A 875 -20.179 20.087 87.719 1.00 40.04 O ATOM 2409 CB ASP A 875 -16.959 20.162 87.613 1.00 33.08 C ATOM 2410 CG ASP A 875 -15.847 20.449 88.602 1.00 35.46 C ATOM 2411 OD1 ASP A 875 -16.036 20.189 89.809 1.00 37.41 O ATOM 2412 OD2 ASP A 875 -14.784 20.952 88.178 1.00 34.25 O ATOM 2413 H ASP A 875 -16.584 17.601 87.717 1.00 0.00 H ATOM 2414 N LYS A 876 -19.434 18.502 86.303 1.00 34.28 N ATOM 2415 CA LYS A 876 -20.682 18.509 85.548 1.00 34.50 C ATOM 2416 C LYS A 876 -21.843 17.993 86.391 1.00 43.06 C ATOM 2417 O LYS A 876 -22.939 18.563 86.365 1.00 46.88 O ATOM 2418 CB LYS A 876 -20.529 17.696 84.263 1.00 33.83 C ATOM 2419 CG LYS A 876 -21.834 17.571 83.475 1.00 41.05 C ATOM 2420 CD LYS A 876 -21.595 17.168 82.038 1.00 48.12 C ATOM 2421 CE LYS A 876 -22.911 17.079 81.277 1.00 50.77 C ATOM 2422 NZ LYS A 876 -22.776 16.263 80.038 1.00 45.78 N ATOM 2423 HZ1 LYS A 876 -22.065 16.696 79.415 1.00 0.00 H ATOM 2424 HZ2 LYS A 876 -22.477 15.299 80.290 1.00 0.00 H ATOM 2425 HZ3 LYS A 876 -23.692 16.226 79.547 1.00 0.00 H ATOM 2426 H LYS A 876 -18.653 17.878 86.014 1.00 0.00 H ATOM 2427 N MET A 877 -21.620 16.921 87.157 1.00 35.92 N ATOM 2428 CA MET A 877 -22.674 16.398 88.021 1.00 38.58 C ATOM 2429 C MET A 877 -23.065 17.410 89.088 1.00 40.95 C ATOM 2430 O MET A 877 -24.244 17.526 89.441 1.00 45.55 O ATOM 2431 CB MET A 877 -22.205 15.104 88.679 1.00 34.10 C ATOM 2432 CG MET A 877 -21.747 14.044 87.694 1.00 35.83 C ATOM 2433 SD MET A 877 -20.968 12.698 88.610 1.00 38.62 S ATOM 2434 CE MET A 877 -20.426 11.644 87.274 1.00 33.71 C ATOM 2435 H MET A 877 -20.690 16.456 87.137 1.00 0.00 H ATOM 2436 N ILE A 878 -22.085 18.134 89.630 1.00 36.86 N ATOM 2437 CA ILE A 878 -22.368 19.154 90.637 1.00 40.67 C ATOM 2438 C ILE A 878 -23.181 20.296 90.033 1.00 49.13 C ATOM 2439 O ILE A 878 -24.044 20.883 90.700 1.00 50.48 O ATOM 2440 CB ILE A 878 -21.053 19.640 91.273 1.00 40.99 C ATOM 2441 CG1 ILE A 878 -20.405 18.509 92.078 1.00 39.57 C ATOM 2442 CG2 ILE A 878 -21.293 20.864 92.155 1.00 41.00 C ATOM 2443 CD1 ILE A 878 -18.957 18.774 92.469 1.00 37.88 C ATOM 2444 H ILE A 878 -21.103 17.970 89.331 1.00 0.00 H ATOM 2445 N ARG A 879 -22.915 20.607 88.782 1.00 45.93 N ATOM 2446 CA ARG A 879 -23.614 21.659 88.085 1.00 49.96 C ATOM 2447 C ARG A 879 -25.002 21.236 87.728 1.00 53.23 C ATOM 2448 O ARG A 879 -25.892 22.041 87.698 1.00 59.57 O ATOM 2449 CB ARG A 879 -22.886 22.019 86.808 1.00 48.50 C ATOM 2450 CG ARG A 879 -21.913 23.142 87.007 1.00 52.94 C ATOM 2451 CD ARG A 879 -21.315 23.689 85.726 1.00 50.04 C ATOM 2452 NE ARG A 879 -21.399 22.793 84.598 1.00 50.99 N ATOM 2453 CZ ARG A 879 -20.381 22.107 84.116 1.00 51.37 C ATOM 2454 NH1 ARG A 879 -19.194 22.171 84.674 1.00 45.23 N ATOM 2455 NH2 ARG A 879 -20.571 21.336 83.081 1.00 53.15 N ATOM 2456 HE ARG A 879 -22.323 22.681 84.135 1.00 0.00 H ATOM 2457 HH12 ARG A 879 -18.404 21.622 84.279 1.00 0.00 H ATOM 2458 HH11 ARG A 879 -19.044 22.770 85.511 1.00 0.00 H ATOM 2459 HH22 ARG A 879 -19.779 20.788 82.688 1.00 0.00 H ATOM 2460 HH21 ARG A 879 -21.514 21.269 82.649 1.00 0.00 H ATOM 2461 H ARG A 879 -22.176 20.076 88.279 1.00 0.00 H ATOM 2462 N ASN A 880 -25.175 19.974 87.392 1.00 51.80 N ATOM 2463 CA ASN A 880 -26.449 19.430 87.001 1.00 49.29 C ATOM 2464 C ASN A 880 -26.846 18.353 87.972 1.00 52.02 C ATOM 2465 O ASN A 880 -26.880 17.189 87.637 1.00 53.34 O ATOM 2466 CB ASN A 880 -26.370 18.778 85.617 1.00 47.03 C ATOM 2467 CG ASN A 880 -25.673 19.618 84.592 1.00 55.58 C ATOM 2468 OD1 ASN A 880 -25.700 20.812 84.639 1.00 60.00 O ATOM 2469 ND2 ASN A 880 -25.103 18.977 83.617 1.00 55.83 N ATOM 2470 HD22 ASN A 880 -25.099 17.937 83.610 1.00 0.00 H ATOM 2471 HD21 ASN A 880 -24.650 19.504 82.843 1.00 0.00 H ATOM 2472 H ASN A 880 -24.351 19.340 87.410 1.00 0.00 H ATOM 2473 N PRO A 881 -27.273 18.727 89.164 1.00 52.53 N ATOM 2474 CA PRO A 881 -27.617 17.721 90.161 1.00 52.16 C ATOM 2475 C PRO A 881 -28.787 16.807 89.859 1.00 53.59 C ATOM 2476 O PRO A 881 -28.902 15.785 90.478 1.00 56.23 O ATOM 2477 CB PRO A 881 -27.841 18.532 91.414 1.00 53.86 C ATOM 2478 CG PRO A 881 -28.194 19.867 90.935 1.00 52.57 C ATOM 2479 CD PRO A 881 -27.577 20.080 89.618 1.00 53.32 C ATOM 2480 N ALA A 882 -29.661 17.169 88.946 1.00 56.36 N ATOM 2481 CA ALA A 882 -30.733 16.307 88.598 1.00 58.60 C ATOM 2482 C ALA A 882 -30.155 15.054 88.015 1.00 55.84 C ATOM 2483 O ALA A 882 -30.733 14.002 88.178 1.00 57.79 O ATOM 2484 CB ALA A 882 -31.636 16.993 87.599 1.00 58.09 C ATOM 2485 H ALA A 882 -29.566 18.092 88.476 1.00 0.00 H ATOM 2486 N SER A 883 -29.012 15.154 87.345 1.00 53.37 N ATOM 2487 CA SER A 883 -28.423 13.959 86.754 1.00 53.78 C ATOM 2488 C SER A 883 -27.963 12.958 87.805 1.00 57.77 C ATOM 2489 O SER A 883 -27.711 11.797 87.466 1.00 60.77 O ATOM 2490 CB SER A 883 -27.254 14.341 85.849 1.00 53.98 C ATOM 2491 OG SER A 883 -26.120 14.715 86.615 1.00 53.60 O ATOM 2492 HG SER A 883 -26.349 15.492 87.184 1.00 0.00 H ATOM 2493 H SER A 883 -28.542 16.076 87.243 1.00 0.00 H ATOM 2494 N LEU A 884 -27.837 13.382 89.065 1.00 48.61 N ATOM 2495 CA LEU A 884 -27.526 12.475 90.160 1.00 49.62 C ATOM 2496 C LEU A 884 -28.753 11.737 90.682 1.00 54.02 C ATOM 2497 O LEU A 884 -28.607 10.832 91.508 1.00 55.65 O ATOM 2498 CB LEU A 884 -26.849 13.241 91.302 1.00 50.00 C ATOM 2499 CG LEU A 884 -25.529 13.940 90.960 1.00 47.08 C ATOM 2500 CD1 LEU A 884 -25.069 14.824 92.102 1.00 45.64 C ATOM 2501 CD2 LEU A 884 -24.447 12.929 90.607 1.00 44.30 C ATOM 2502 H LEU A 884 -27.965 14.393 89.271 1.00 0.00 H ATOM 2503 N LYS A 885 -29.954 12.091 90.222 1.00 57.16 N ATOM 2504 CA LYS A 885 -31.151 11.399 90.682 1.00 61.48 C ATOM 2505 C LYS A 885 -31.345 10.049 90.008 1.00 54.07 C ATOM 2506 O LYS A 885 -32.016 9.180 90.575 1.00 59.71 O ATOM 2507 CB LYS A 885 -32.393 12.268 90.459 1.00 62.14 C ATOM 2508 CG LYS A 885 -32.298 13.658 91.063 1.00 59.40 C ATOM 2509 CD LYS A 885 -32.018 13.598 92.556 1.00 64.59 C ATOM 2510 CE LYS A 885 -33.133 12.902 93.319 1.00 68.21 C ATOM 2511 NZ LYS A 885 -32.870 12.920 94.787 1.00 67.23 N ATOM 2512 HZ1 LYS A 885 -31.974 12.429 94.984 1.00 0.00 H ATOM 2513 HZ2 LYS A 885 -32.806 13.905 95.114 1.00 0.00 H ATOM 2514 HZ3 LYS A 885 -33.647 12.438 95.283 1.00 0.00 H ATOM 2515 H LYS A 885 -30.036 12.865 89.532 1.00 0.00 H ATOM 2516 N ILE A 886 -30.774 9.851 88.822 1.00 52.82 N ATOM 2517 CA ILE A 886 -30.952 8.598 88.091 1.00 57.25 C ATOM 2518 C ILE A 886 -30.145 7.511 88.795 1.00 51.11 C ATOM 2519 O ILE A 886 -28.911 7.536 88.785 1.00 42.24 O ATOM 2520 CB ILE A 886 -30.543 8.734 86.621 1.00 54.21 C ATOM 2521 CG1 ILE A 886 -31.346 9.846 85.942 1.00 61.50 C ATOM 2522 CG2 ILE A 886 -30.728 7.404 85.894 1.00 49.17 C ATOM 2523 CD1 ILE A 886 -30.593 11.157 85.822 1.00 60.31 C ATOM 2524 H ILE A 886 -30.189 10.604 88.407 1.00 0.00 H ATOM 2525 N VAL A 887 -30.845 6.556 89.405 1.00 52.36 N ATOM 2526 CA VAL A 887 -30.234 5.423 90.085 1.00 52.20 C ATOM 2527 C VAL A 887 -30.672 4.140 89.381 1.00 60.55 C ATOM 2528 O VAL A 887 -31.552 4.146 88.518 1.00 64.05 O ATOM 2529 CB VAL A 887 -30.581 5.387 91.588 1.00 51.81 C ATOM 2530 CG1 VAL A 887 -29.933 6.562 92.312 1.00 47.99 C ATOM 2531 CG2 VAL A 887 -32.091 5.411 91.781 1.00 58.91 C ATOM 2532 H VAL A 887 -31.883 6.623 89.395 1.00 0.00 H ATOM 2533 N ALA A 888 -30.039 3.031 89.757 1.00 57.61 N ATOM 2534 CA ALA A 888 -30.383 1.734 89.175 1.00 63.09 C ATOM 2535 C ALA A 888 -31.796 1.321 89.572 1.00 69.66 C ATOM 2536 O ALA A 888 -32.179 1.425 90.739 1.00 73.71 O ATOM 2537 CB ALA A 888 -29.378 0.669 89.594 1.00 60.41 C ATOM 2538 H ALA A 888 -29.289 3.088 90.475 1.00 0.00 H TER 2539 ALA A 888 HETATM 2540 O HOH 1 -12.803 -16.778 99.183 1.00 51.54 O HETATM 2541 O HOH 2 -12.807 2.950 76.446 1.00 36.77 O HETATM 2542 O HOH 3 -10.110 -17.507 93.904 1.00 45.16 O HETATM 2543 O HOH 4 -11.156 -0.411 77.267 1.00 39.77 O HETATM 2544 O HOH 5 2.719 23.422 94.039 1.00 45.47 O HETATM 2545 O HOH 6 -0.243 23.715 88.045 1.00 60.92 O HETATM 2546 O HOH 7 -9.461 -17.653 97.843 1.00 43.94 O HETATM 2547 O HOH 8 -6.193 15.166 80.670 1.00 44.45 O HETATM 2548 O HOH 9 -15.504 3.277 80.051 1.00 42.46 O HETATM 2549 O HOH 10 -21.124 14.420 80.077 1.00 45.61 O HETATM 2550 O HOH 11 9.336 8.462 106.786 1.00 38.26 O HETATM 2551 O HOH 12 -4.595 -3.463 83.034 1.00 37.14 O HETATM 2552 O HOH 13 16.094 13.147 123.268 1.00 43.09 O HETATM 2553 O HOH 14 19.354 19.918 111.155 1.00 58.21 O HETATM 2554 O HOH 15 -6.578 3.031 74.696 1.00 45.33 O HETATM 2555 O HOH 16 -3.779 20.774 112.504 1.00 43.20 O HETATM 2556 O HOH 17 -24.604 12.827 85.974 1.00 52.63 O HETATM 2557 O HOH 18 0.895 3.176 101.484 1.00 43.78 O HETATM 2558 O HOH 19 -18.486 8.519 82.420 1.00 41.13 O HETATM 2559 O HOH 20 1.598 27.421 116.498 1.00 60.88 O HETATM 2560 O HOH 21 -25.936 23.850 89.489 1.00 60.90 O HETATM 2561 O HOH 22 -27.623 2.792 91.260 1.00 46.01 O HETATM 2562 O HOH 23 2.522 8.022 97.904 1.00 28.50 O HETATM 2563 O HOH 24 -10.429 21.567 96.353 1.00 35.22 O HETATM 2564 O HOH 25 -6.535 22.788 92.202 1.00 42.10 O HETATM 2565 O HOH 26 -29.341 10.684 93.972 1.00 52.56 O HETATM 2566 O HOH 27 -6.338 -6.705 98.936 1.00 32.37 O HETATM 2567 O HOH 28 1.565 11.837 86.135 1.00 42.94 O HETATM 2568 O HOH 29 -3.866 20.778 102.937 1.00 43.00 O HETATM 2569 O HOH 30 -24.588 15.784 78.237 1.00 41.90 O HETATM 2570 O HOH 31 5.588 26.698 122.850 1.00 52.52 O HETATM 2571 O HOH 32 -10.131 -10.122 81.107 1.00 42.87 O HETATM 2572 O HOH 33 14.431 21.709 115.935 1.00 40.61 O HETATM 2573 O HOH 34 -26.262 15.589 105.315 1.00 45.85 O HETATM 2574 O HOH 35 -20.984 -6.384 104.111 1.00 54.85 O HETATM 2575 O HOH 36 -17.086 -15.383 83.706 1.00 39.54 O HETATM 2576 O HOH 37 -15.685 23.248 111.211 1.00 55.35 O HETATM 2577 O HOH 38 -13.195 21.021 86.087 1.00 36.48 O HETATM 2578 O HOH 39 -26.253 17.964 101.212 1.00 48.85 O HETATM 2579 O HOH 40 -20.695 1.149 106.034 1.00 36.08 O HETATM 2580 O HOH 41 1.206 23.186 124.110 1.00 52.92 O HETATM 2581 O HOH 42 -29.378 8.532 95.575 1.00 46.78 O HETATM 2582 O HOH 43 -16.611 21.158 102.644 1.00 48.52 O HETATM 2583 O HOH 44 0.040 1.684 84.910 1.00 31.66 O HETATM 2584 O HOH 45 -16.145 -10.099 79.116 1.00 47.33 O HETATM 2585 O HOH 46 2.459 21.032 102.470 1.00 48.91 O HETATM 2586 O HOH 47 -13.604 0.900 102.585 1.00 30.93 O HETATM 2587 O HOH 48 -0.779 3.346 91.182 1.00 27.27 O HETATM 2588 O HOH 49 -9.543 -3.515 92.124 1.00 26.46 O HETATM 2589 O HOH 50 -29.847 3.788 85.595 1.00 45.29 O HETATM 2590 O HOH 51 -29.463 15.350 93.073 1.00 55.88 O HETATM 2591 O HOH 52 1.122 -0.140 96.292 1.00 41.49 O HETATM 2592 O HOH 53 -27.047 9.195 87.256 1.00 40.49 O HETATM 2593 O HOH 54 -21.642 19.422 103.759 1.00 45.47 O HETATM 2594 O HOH 55 3.324 8.197 106.461 1.00 36.13 O HETATM 2595 O HOH 56 -5.444 6.842 80.806 1.00 27.49 O HETATM 2596 O HOH 57 -24.327 14.209 108.516 1.00 46.35 O HETATM 2597 O HOH 58 7.284 20.436 124.993 1.00 42.18 O HETATM 2598 O HOH 59 -9.440 1.962 102.314 1.00 26.70 O HETATM 2599 O HOH 60 14.812 20.708 118.202 1.00 41.18 O HETATM 2600 O HOH 61 -22.041 -7.536 91.794 1.00 30.81 O HETATM 2601 O HOH 62 -11.880 -6.228 79.699 1.00 40.17 O HETATM 2602 O HOH 63 -8.678 3.544 108.368 1.00 34.04 O HETATM 2603 O HOH 64 -23.829 1.451 85.798 1.00 38.84 O HETATM 2604 O HOH 65 -6.249 4.640 107.926 1.00 27.92 O HETATM 2605 O HOH 66 -23.912 11.090 111.342 1.00 43.67 O HETATM 2606 O HOH 67 -24.471 2.972 99.694 1.00 32.54 O HETATM 2607 O HOH 68 -2.541 0.743 94.132 1.00 31.60 O HETATM 2608 O HOH 69 -18.052 6.148 79.689 1.00 32.32 O HETATM 2609 O HOH 70 -26.633 9.184 100.546 1.00 45.61 O HETATM 2610 O HOH 71 -11.565 -3.507 80.583 1.00 33.67 O HETATM 2611 O HOH 72 -0.628 10.293 90.040 1.00 28.78 O HETATM 2612 O HOH 73 -9.351 0.306 75.083 1.00 41.18 O HETATM 2613 O HOH 74 -2.168 24.138 94.745 1.00 43.59 O HETATM 2614 O HOH 75 -21.193 17.914 78.526 1.00 45.47 O HETATM 2615 O HOH 76 -15.747 -5.137 82.449 1.00 34.11 O HETATM 2616 O HOH 77 5.040 -6.143 80.284 1.00 59.21 O HETATM 2617 O HOH 78 -5.750 -10.091 81.413 1.00 48.56 O HETATM 2618 O HOH 79 -15.722 17.564 100.779 1.00 32.22 O HETATM 2619 O HOH 80 13.290 16.079 119.443 1.00 38.06 O HETATM 2620 O HOH 81 7.244 6.707 112.691 1.00 46.09 O HETATM 2621 O HOH 82 -25.156 20.724 93.217 1.00 52.65 O HETATM 2622 O HOH 83 -8.001 9.492 79.027 1.00 32.22 O HETATM 2623 O HOH 84 -9.369 4.676 110.927 1.00 40.44 O HETATM 2624 O HOH 85 -12.516 -19.020 96.514 1.00 45.71 O HETATM 2625 O HOH 86 -20.441 9.240 84.051 1.00 33.62 O HETATM 2626 O HOH 87 -10.520 -6.966 83.089 1.00 34.09 O HETATM 2627 O HOH 88 -12.147 8.208 111.141 1.00 30.15 O HETATM 2628 O HOH 89 -3.012 3.038 104.739 1.00 32.60 O HETATM 2629 O HOH 90 -2.799 4.133 93.856 1.00 25.47 O HETATM 2630 O HOH 91 5.913 6.884 93.182 1.00 45.18 O HETATM 2631 O HOH 92 -9.113 22.242 94.158 1.00 40.35 O HETATM 2632 O HOH 93 -19.152 19.826 81.245 1.00 38.42 O HETATM 2633 O HOH 94 -7.031 -9.886 87.049 1.00 36.53 O HETATM 2634 O HOH 95 -17.584 22.007 91.217 1.00 43.46 O HETATM 2635 O HOH 96 -11.690 6.302 76.960 1.00 37.51 O HETATM 2636 O HOH 97 -26.787 2.465 88.638 1.00 44.08 O HETATM 2637 O HOH 98 -11.649 -9.287 78.123 1.00 51.07 O HETATM 2638 O HOH 99 -19.473 22.280 89.284 1.00 45.47 O HETATM 2639 O HOH 100 -18.807 -14.661 103.625 1.00 39.61 O HETATM 2640 O HOH 101 -14.710 19.418 96.888 1.00 38.48 O HETATM 2641 O HOH 102 -20.507 14.110 84.316 1.00 33.99 O HETATM 2642 O HOH 103 5.264 5.905 86.161 1.00 50.08 O HETATM 2643 O HOH 104 6.996 8.644 98.285 1.00 43.55 O HETATM 2644 O HOH 105 -12.741 -15.367 101.675 1.00 44.18 O HETATM 2645 O HOH 106 2.666 18.384 102.392 1.00 43.22 O HETATM 2646 O HOH 107 -3.151 18.543 85.019 1.00 39.12 O HETATM 2647 O HOH 108 4.940 5.825 100.927 1.00 50.07 O HETATM 2648 O HOH 109 7.466 17.448 90.420 1.00 47.11 O HETATM 2649 O HOH 110 -18.487 17.454 100.580 1.00 36.73 O HETATM 2650 O HOH 111 -10.184 23.107 91.778 1.00 52.79 O HETATM 2651 O HOH 112 -4.946 8.049 76.395 1.00 49.02 O HETATM 2652 O HOH 113 -1.448 22.322 112.617 1.00 45.56 O HETATM 2653 O HOH 114 2.540 4.423 98.318 1.00 34.56 O HETATM 2654 O HOH 115 -2.193 5.849 79.901 1.00 45.26 O HETATM 2655 O HOH 116 -14.840 -1.261 83.745 1.00 30.78 O HETATM 2656 O HOH 117 -1.957 5.510 110.500 1.00 49.36 O HETATM 2657 O HOH 118 -8.717 -4.863 103.439 1.00 48.74 O HETATM 2658 O HOH 119 -17.353 20.102 83.662 1.00 36.86 O HETATM 2659 O HOH 120 -15.760 3.482 112.108 1.00 32.49 O HETATM 2660 O HOH 121 9.311 19.829 124.085 1.00 35.58 O HETATM 2661 O HOH 122 -8.029 22.392 102.571 1.00 47.78 O HETATM 2662 O HOH 123 -7.265 -8.973 84.423 1.00 44.45 O HETATM 2663 O HOH 124 -12.682 -18.683 87.290 1.00 35.36 O HETATM 2664 O HOH 125 -0.451 -3.288 95.573 1.00 44.90 O HETATM 2665 O HOH 126 4.869 24.925 110.866 1.00 54.87 O HETATM 2666 O HOH 127 7.983 5.318 110.860 1.00 53.78 O HETATM 2667 O HOH 128 -29.902 1.923 94.494 1.00 47.78 O HETATM 2668 O HOH 129 -3.062 -8.494 87.586 1.00 39.85 O HETATM 2669 O HOH 130 -4.092 11.796 85.428 1.00 28.45 O HETATM 2670 O HOH 131 -21.775 -1.443 97.885 1.00 40.24 O HETATM 2671 O HOH 132 -7.474 -5.229 91.972 1.00 35.25 O HETATM 2672 O HOH 133 -5.545 7.643 83.570 1.00 26.22 O HETATM 2673 O HOH 134 -7.940 21.250 107.844 1.00 46.90 O HETATM 2674 O HOH 135 -2.184 -11.543 97.990 1.00 53.17 O HETATM 2675 O HOH 136 -24.494 5.698 97.302 1.00 34.80 O HETATM 2676 O HOH 137 -10.589 19.550 85.212 1.00 33.89 O HETATM 2677 O HOH 138 -15.622 11.428 113.224 1.00 39.43 O HETATM 2678 O HOH 139 -23.807 2.436 83.439 1.00 42.11 O HETATM 2679 O HOH 140 -3.263 16.026 86.257 1.00 28.82 O HETATM 2680 O HOH 141 3.819 5.215 108.270 1.00 43.38 O HETATM 2681 O HOH 142 -14.204 -3.277 90.255 1.00 24.17 O HETATM 2682 O HOH 143 -2.641 -0.924 77.475 1.00 51.11 O HETATM 2683 O HOH 144 -23.284 0.198 101.536 1.00 47.25 O HETATM 2684 O HOH 145 6.242 9.179 91.468 1.00 39.96 O HETATM 2685 O HOH 146 -3.768 7.210 111.579 1.00 43.33 O HETATM 2686 O HOH 147 6.235 1.380 117.101 1.00 56.86 O HETATM 2687 O HOH 148 -6.646 -5.505 89.558 1.00 44.61 O HETATM 2688 O HOH 149 -10.046 -2.257 78.641 1.00 32.84 O HETATM 2689 O HOH 150 -15.485 23.631 87.272 1.00 56.23 O HETATM 2690 O HOH 151 -10.835 22.169 110.039 1.00 55.76 O HETATM 2691 O HOH 152 -0.398 0.986 107.870 1.00 59.04 O HETATM 2692 O HOH 153 -5.466 22.613 115.158 1.00 51.63 O HETATM 2693 O HOH 154 -3.972 1.529 96.497 1.00 36.23 O HETATM 2694 O HOH 155 -10.550 -15.277 85.824 1.00 39.32 O HETATM 2695 O HOH 156 7.133 14.203 91.741 1.00 47.13 O HETATM 2696 O HOH 157 -10.379 22.936 89.519 1.00 55.69 O HETATM 2697 O HOH 158 -0.962 22.115 89.945 1.00 49.53 O HETATM 2698 O HOH 159 -28.858 12.508 110.316 1.00 53.10 O HETATM 2699 O HOH 160 -8.293 -8.383 77.396 1.00 45.58 O HETATM 2700 O HOH 161 -12.934 17.413 99.829 1.00 29.72 O HETATM 2701 O HOH 162 -28.731 12.074 98.772 1.00 41.80 O HETATM 2702 O HOH 163 10.906 26.593 115.121 1.00 49.58 O HETATM 2703 O HOH 164 -7.727 8.355 76.877 1.00 45.79 O HETATM 2704 O HOH 165 -16.576 -2.918 105.711 1.00 43.46 O HETATM 2705 O HOH 166 5.899 17.141 86.273 1.00 53.24 O HETATM 2706 O HOH 167 -6.669 -12.566 100.854 1.00 35.52 O HETATM 2707 O HOH 168 8.429 6.055 108.077 1.00 53.52 O HETATM 2708 O HOH 169 -8.371 7.436 111.503 1.00 33.72 O HETATM 2709 O HOH 170 -2.925 1.139 91.344 1.00 28.93 O HETATM 2710 O HOH 171 -0.715 20.597 100.891 1.00 33.91 O HETATM 2711 O HOH 172 0.277 1.292 77.709 1.00 49.02 O HETATM 2712 O HOH 173 -12.855 -12.734 80.644 1.00 49.58 O HETATM 2713 O HOH 174 -18.361 23.604 87.162 1.00 49.37 O HETATM 2714 O HOH 175 5.149 23.772 123.488 1.00 47.06 O HETATM 2715 O HOH 176 2.585 8.140 85.225 1.00 38.61 O HETATM 2716 O HOH 177 -9.792 0.119 104.431 1.00 34.81 O HETATM 2717 O HOH 178 0.270 2.946 109.067 1.00 53.87 O HETATM 2718 O HOH 179 -20.610 19.070 96.255 1.00 51.90 O HETATM 2719 O HOH 180 -27.689 15.094 97.195 1.00 37.96 O HETATM 2720 O HOH 181 -5.639 -14.942 98.239 1.00 38.13 O HETATM 2721 O HOH 182 3.023 22.635 122.225 1.00 43.19 O HETATM 2722 O HOH 183 -18.311 0.950 80.557 1.00 39.45 O HETATM 2723 O HOH 184 -27.615 0.601 93.248 1.00 41.72 O HETATM 2724 O HOH 185 -18.121 11.365 113.291 1.00 42.87 O HETATM 2725 O HOH 186 -10.266 -11.634 102.551 1.00 47.63 O HETATM 2726 O HOH 187 18.042 15.717 121.739 1.00 52.27 O HETATM 2727 O HOH 188 -11.654 23.601 105.641 1.00 49.34 O HETATM 2728 O HOH 189 1.017 20.195 90.279 1.00 43.53 O HETATM 2729 O HOH 190 -14.418 1.147 111.385 1.00 42.43 O HETATM 2730 O HOH 191 -0.366 7.551 83.369 1.00 32.73 O HETATM 2731 O HOH 192 -2.899 -1.555 80.313 1.00 46.74 O HETATM 2732 O HOH 193 -7.099 20.845 85.364 1.00 49.04 O HETATM 2733 O HOH 194 -29.942 19.851 87.453 1.00 55.74 O HETATM 2734 O HOH 195 13.861 22.759 102.106 1.00 62.80 O HETATM 2735 O HOH 196 7.303 22.811 106.358 1.00 45.58 O HETATM 2736 O HOH 197 -23.637 0.979 103.761 1.00 47.71 O HETATM 2737 O HOH 198 -12.763 20.606 95.436 1.00 33.95 O HETATM 2738 O HOH 199 -0.120 7.717 124.801 1.00 50.71 O HETATM 2739 O HOH 200 -10.077 19.320 111.341 1.00 30.25 O HETATM 2740 O HOH 201 -20.350 -3.235 87.301 1.00 30.25 O HETATM 2741 O HOH 202 13.695 26.116 108.537 1.00 53.98 O HETATM 2742 O HOH 203 -33.874 6.436 88.633 1.00 55.12 O HETATM 2743 O HOH 204 -28.352 11.483 104.207 1.00 53.07 O HETATM 2744 O HOH 205 -17.399 17.277 111.501 1.00 51.34 O HETATM 2745 O HOH 206 4.813 1.799 83.075 1.00 44.07 O HETATM 2746 O HOH 207 -21.712 0.201 81.254 1.00 46.30 O HETATM 2747 O HOH 208 -5.189 26.589 115.704 1.00 71.73 O HETATM 2748 O HOH 209 -8.078 11.783 76.096 1.00 27.26 O HETATM 2749 O HOH 210 -16.545 15.074 114.796 1.00 60.23 O HETATM 2750 O HOH 211 15.442 2.545 116.718 1.00 63.84 O HETATM 2751 O HOH 212 -33.798 -0.858 89.236 1.00 66.97 O HETATM 2752 O HOH 213 5.590 6.525 95.364 1.00 46.74 O HETATM 2753 O HOH 214 -3.643 16.838 120.420 1.00 52.26 O HETATM 2754 O HOH 215 -12.504 20.101 98.956 1.00 32.05 O HETATM 2755 O HOH 216 -20.180 12.880 113.177 1.00 58.31 O HETATM 2756 O HOH 217 -6.578 -6.196 101.828 1.00 41.29 O HETATM 2757 O HOH 218 15.835 23.866 116.087 1.00 48.76 O HETATM 2758 O HOH 219 9.956 6.759 104.800 1.00 56.45 O HETATM 2759 O HOH 220 -3.588 23.535 103.674 1.00 50.85 O HETATM 2760 O HOH 221 -23.803 16.269 107.394 1.00 46.04 O HETATM 2761 O HOH 222 -12.301 -0.912 104.157 1.00 37.48 O HETATM 2762 O HOH 223 -5.415 -11.768 85.901 1.00 51.22 O HETATM 2763 O HOH 224 -16.302 -18.184 84.861 1.00 32.36 O HETATM 2764 O HOH 225 -3.685 15.134 81.892 1.00 33.19 O HETATM 2765 O HOH 226 -3.528 9.321 84.449 1.00 31.34 O HETATM 2766 O HOH 227 -8.751 -18.259 91.880 1.00 51.59 O HETATM 2767 O HOH 228 2.584 24.646 106.694 1.00 42.38 O HETATM 2768 O HOH 229 0.492 -4.704 81.086 1.00 44.46 O HETATM 2769 O HOH 230 -2.918 23.550 91.608 1.00 43.32 O HETATM 2770 O HOH 231 -3.026 24.708 99.669 1.00 46.02 O HETATM 2771 O HOH 232 4.751 6.905 103.085 1.00 51.79 O HETATM 2772 O HOH 233 -6.206 -4.128 77.705 1.00 48.99 O HETATM 2773 O HOH 234 -4.228 -3.984 78.885 1.00 55.46 O HETATM 2774 O HOH 235 -13.583 -2.627 106.007 1.00 46.73 O HETATM 2775 O HOH 236 -0.035 5.096 81.720 1.00 37.41 O HETATM 2776 O HOH 237 -28.226 13.627 105.461 1.00 55.59 O HETATM 2777 O HOH 238 -6.504 22.826 117.412 1.00 58.59 O HETATM 2778 O HOH 239 -29.410 13.498 94.762 1.00 57.18 O HETATM 2779 O HOH 240 -13.813 -2.959 81.979 1.00 36.66 O HETATM 2780 O HOH 241 4.372 5.282 124.442 1.00 59.46 O HETATM 2781 O HOH 242 12.950 16.310 123.084 1.00 40.91 O HETATM 2782 O HOH 243 -5.958 22.733 87.524 1.00 56.86 O HETATM 2783 O HOH 244 2.009 15.427 83.712 1.00 51.41 O HETATM 2784 O HOH 245 8.071 11.624 91.894 1.00 48.32 O HETATM 2785 O HOH 246 -0.125 -1.896 80.830 1.00 36.83 O HETATM 2786 O HOH 247 -2.620 26.074 96.812 1.00 61.25 O HETATM 2787 O HOH 248 -2.902 -1.273 74.952 1.00 57.83 O HETATM 2788 O HOH 249 -4.468 13.469 75.215 1.00 48.38 O HETATM 2789 O HOH 250 -0.306 13.308 83.985 1.00 44.54 O HETATM 2790 O HOH 251 -5.878 24.258 102.827 1.00 52.09 O HETATM 2791 O HOH 252 2.244 5.312 80.684 1.00 52.33 O HETATM 2792 O HOH 253 10.305 0.955 115.919 1.00 48.21 O HETATM 2793 O HOH 254 -24.646 7.059 83.348 1.00 42.97 O HETATM 2794 O HOH 255 -1.570 23.324 101.744 1.00 43.40 O HETATM 2795 O HOH 256 -5.529 11.127 74.428 1.00 48.81 O HETATM 2796 O HOH 257 5.677 25.969 113.358 1.00 58.86 O HETATM 2797 O HOH 258 -7.380 -7.583 90.711 1.00 45.70 O HETATM 2798 O HOH 259 -15.025 4.337 77.652 1.00 49.22 O HETATM 2799 O HOH 260 -14.231 23.246 94.671 1.00 47.72 O HETATM 2800 O HOH 261 -1.352 34.803 119.258 1.00 66.75 O HETATM 2801 O HOH 262 5.120 4.942 97.495 1.00 51.04 O HETATM 2802 O HOH 263 -23.197 14.087 84.272 1.00 49.03 O HETATM 2803 O HOH 264 -1.176 -6.475 82.959 1.00 46.08 O HETATM 2804 O HOH 265 -8.918 -4.005 77.103 1.00 43.10 O HETATM 2805 O HOH 266 -5.003 6.876 113.863 1.00 51.35 O HETATM 2806 O HOH 267 -1.531 13.964 79.917 1.00 48.81 O HETATM 2807 O HOH 268 4.649 4.209 82.207 1.00 56.19 O HETATM 2808 O HOH 269 9.840 20.637 96.558 1.00 56.06 O HETATM 2809 O HOH 270 -27.975 -1.736 92.031 1.00 55.09 O HETATM 2810 O HOH 271 -11.424 4.171 113.709 1.00 48.46 O HETATM 2811 O HOH 272 -26.022 7.574 98.709 1.00 51.91 O HETATM 2812 O HOH 273 -27.417 8.864 84.531 1.00 48.51 O HETATM 2813 O HOH 274 -23.458 -1.719 85.321 1.00 47.71 O HETATM 2814 O HOH 275 -26.485 11.483 83.727 1.00 53.17 O HETATM 2815 O HOH 276 -19.018 -1.521 106.561 1.00 52.65 O HETATM 2816 O HOH 277 -7.238 24.485 94.457 1.00 50.77 O HETATM 2817 O HOH 278 -23.411 20.946 102.911 1.00 57.13 O HETATM 2818 O HOH 279 -9.586 6.885 75.432 1.00 36.36 O HETATM 2819 O HOH 280 -4.351 2.727 107.327 1.00 33.63 O HETATM 2820 O HOH 281 -14.114 24.263 103.621 1.00 57.14 O HETATM 2821 O HOH 282 -11.859 -17.254 84.882 1.00 51.94 O HETATM 2822 O HOH 283 -15.828 -14.916 81.455 1.00 43.41 O HETATM 2823 O HOH 284 19.477 17.844 121.633 1.00 56.80 O HETATM 2824 O HOH 285 -5.045 -8.134 83.388 1.00 44.96 O HETATM 2825 O HOH 286 8.824 11.818 94.437 1.00 48.07 O HETATM 2826 O HOH 287 9.439 4.461 119.235 1.00 58.19 O HETATM 2827 O HOH 288 -27.867 -2.506 95.674 1.00 52.44 O HETATM 2828 O HOH 289 -26.146 0.855 86.702 1.00 44.00 O HETATM 2829 O HOH 290 -22.587 -1.866 100.148 1.00 46.93 O HETATM 2830 O HOH 291 -14.368 -5.669 78.521 1.00 53.52 O HETATM 2831 O HOH 292 -3.564 -6.028 82.268 1.00 39.66 O HETATM 2832 O HOH 293 18.777 13.561 122.922 1.00 40.90 O HETATM 2833 O HOH 294 -3.553 -9.436 85.200 1.00 50.92 O HETATM 2834 O HOH 295 -1.404 -2.300 109.021 1.00 55.45 O HETATM 2835 O HOH 296 -3.407 8.240 79.713 1.00 41.48 O HETATM 2836 O HOH 297 7.507 23.081 128.113 1.00 50.30 O HETATM 2837 O HOH 298 -19.210 14.567 81.830 1.00 39.96 O HETATM 2838 O HOH 299 -18.484 20.078 95.552 1.00 54.10 O HETATM 2839 O HOH 300 7.674 6.767 126.385 1.00 53.46 O HETATM 2840 O HOH 301 -16.353 -5.795 79.924 1.00 44.94 O HETATM 2841 O HOH 302 -23.056 8.712 82.614 1.00 42.98 O HETATM 2842 O HOH 303 -5.550 -8.066 88.506 1.00 37.19 O HETATM 2843 O HOH 304 7.719 9.016 101.043 1.00 49.43 O HETATM 2844 O HOH 305 2.739 2.118 98.992 1.00 49.48 O HETATM 2845 O HOH 306 -1.847 -10.841 88.354 1.00 45.67 O HETATM 2846 O HOH 307 8.754 9.106 95.882 1.00 49.01 O HETATM 2847 O HOH 308 0.540 -5.521 94.101 1.00 48.78 O HETATM 2848 O HOH 309 -21.098 24.443 90.313 1.00 54.45 O HETATM 2849 O HOH 310 -20.008 19.195 101.681 1.00 47.17 O HETATM 2850 O HOH 311 -17.264 22.078 93.858 1.00 48.16 O HETATM 2851 O HOH 312 -1.945 9.502 82.216 1.00 38.43 O HETATM 2852 O HOH 313 -15.689 20.303 100.379 1.00 46.31 O HETATM 2853 O HOH 314 -30.330 -0.783 95.846 1.00 55.27 O HETATM 2854 O HOH 315 -2.228 3.129 109.226 1.00 49.72 O HETATM 2855 O HOH 316 -10.836 23.808 97.943 1.00 46.51 O HETATM 2856 O HOH 317 -24.295 19.972 100.703 1.00 54.40 O HETATM 2857 O HOH 318 -11.973 22.514 99.817 1.00 51.34 O HETATM 2858 O HOH 319 -2.597 13.962 84.348 1.00 32.47 O HETATM 2859 O HOH 320 -10.257 23.714 101.583 1.00 54.69 O HETATM 2860 O HOH 321 -17.899 -1.298 81.127 1.00 46.67 O HETATM 2861 O HOH 322 -1.541 -9.191 83.409 1.00 56.48 O HETATM 2862 O HOH 323 -22.520 7.258 79.802 1.00 51.03 O HETATM 2863 O HOH 324 -5.752 6.141 110.366 1.00 39.40 O HETATM 2864 O HOH 325 -17.271 -2.711 83.129 1.00 31.77 O HETATM 2865 O HOH 326 -20.010 14.862 110.327 1.00 54.86 O HETATM 2866 O HOH 327 -14.364 -18.747 83.507 1.00 49.89 O HETATM 2867 O HOH 328 -0.528 24.141 91.173 1.00 59.18 O HETATM 2868 O HOH 329 -0.600 -11.790 90.969 1.00 57.79 O HETATM 2869 O HOH 330 -6.350 0.764 107.699 1.00 45.93 O HETATM 2870 O HOH 331 -3.053 -6.039 79.583 1.00 54.08 O HETATM 2871 O HOH 332 -0.605 11.713 81.895 1.00 52.36 O HETATM 2872 O HOH 333 4.890 21.516 90.031 1.00 49.06 O HETATM 2873 O HOH 334 0.380 -11.395 84.103 1.00 43.62 O HETATM 2874 FBI DWT A 335 1.118 12.235 98.474 1.00 -0.22 F HETATM 2875 CBH DWT A 335 0.758 12.201 99.702 1.00 0.37 C HETATM 2876 FBJ DWT A 335 -0.093 11.489 99.872 1.00 -0.22 F HETATM 2877 FBK DWT A 335 0.536 13.240 100.114 1.00 -0.22 F HETATM 2878 CBF DWT A 335 1.850 11.666 100.485 1.00 0.03 C HETATM 2879 CBD DWT A 335 1.866 11.779 101.894 1.00 -0.01 C HETATM 2880 CBB DWT A 335 2.904 11.239 102.685 1.00 0.09 C HETATM 2881 CBC DWT A 335 3.965 10.600 102.054 1.00 -0.01 C HETATM 2882 CBE DWT A 335 3.969 10.466 100.659 1.00 -0.04 C HETATM 2883 CBG DWT A 335 2.920 10.993 99.897 1.00 -0.04 C HETATM 2884 H2 DWT A 335 2.940 10.875 98.820 1.00 0.07 H HETATM 2885 H3 DWT A 335 4.788 9.952 100.168 1.00 0.07 H HETATM 2886 H4 DWT A 335 4.788 10.206 102.640 1.00 0.08 H HETATM 2887 NAZ DWT A 335 2.989 11.355 104.051 1.00 -0.23 N HETATM 2888 CAY DWT A 335 1.909 11.379 104.882 1.00 0.23 C HETATM 2889 OBA DWT A 335 0.742 11.298 104.502 1.00 -0.38 O HETATM 2890 CAV DWT A 335 2.150 11.633 106.253 1.00 0.04 C HETATM 2891 CAT DWT A 335 1.052 11.853 107.085 1.00 -0.02 C HETATM 2892 CAR DWT A 335 1.203 12.145 108.438 1.00 0.07 C HETATM 2893 CAS DWT A 335 2.475 12.241 109.016 1.00 -0.02 C HETATM 2894 CAU DWT A 335 3.587 12.026 108.189 1.00 -0.06 C HETATM 2895 CAW DWT A 335 3.428 11.730 106.819 1.00 -0.06 C HETATM 2896 H7 DWT A 335 4.303 11.576 106.198 1.00 0.06 H HETATM 2897 H8 DWT A 335 4.584 12.088 108.609 1.00 0.05 H HETATM 2898 CAX DWT A 335 2.628 12.539 110.412 1.00 -0.03 C HETATM 2899 H9 DWT A 335 3.698 12.569 110.665 1.00 0.04 H HETATM 2900 H10 DWT A 335 2.132 11.760 111.010 1.00 0.04 H HETATM 2901 H11 DWT A 335 2.172 13.516 110.631 1.00 0.04 H HETATM 2902 NAC DWT A 335 0.146 12.366 109.243 1.00 -0.25 N HETATM 2903 C6 DWT A 335 -0.643 11.402 109.774 1.00 0.16 C HETATM 2904 N1 DWT A 335 -1.800 11.798 110.300 1.00 -0.24 N HETATM 2905 C2 DWT A 335 -2.641 10.924 110.857 1.00 0.12 C HETATM 2906 N3 DWT A 335 -2.325 9.629 110.877 1.00 -0.27 N HETATM 2907 C4 DWT A 335 -1.165 9.225 110.340 1.00 0.06 C HETATM 2908 C5 DWT A 335 -0.321 10.096 109.776 1.00 0.11 C HETATM 2909 CAH DWT A 335 0.700 9.360 109.343 1.00 0.12 C HETATM 2910 NAI DWT A 335 0.447 8.091 109.650 1.00 -0.23 N HETATM 2911 CAK DWT A 335 1.317 6.930 109.359 1.00 0.07 C HETATM 2912 H14 DWT A 335 0.841 6.012 109.733 1.00 0.07 H HETATM 2913 H15 DWT A 335 2.289 7.067 109.855 1.00 0.07 H HETATM 2914 H16 DWT A 335 1.468 6.848 108.272 1.00 0.07 H HETATM 2915 NAJ DWT A 335 -0.642 8.006 110.239 1.00 -0.31 N HETATM 2916 H13 DWT A 335 1.585 9.731 108.829 1.00 0.14 H HETATM 2917 CAL DWT A 335 -3.840 11.372 111.397 1.00 0.05 C HETATM 2918 CAN DWT A 335 -4.704 10.478 112.028 1.00 -0.03 C HETATM 2919 CAP DWT A 335 -5.910 10.959 112.542 1.00 -0.03 C HETATM 2920 CAQ DWT A 335 -6.253 12.305 112.404 1.00 0.01 C HETATM 2921 NAO DWT A 335 -5.389 13.202 111.768 1.00 -0.29 N HETATM 2922 CAM DWT A 335 -4.189 12.711 111.253 1.00 0.03 C HETATM 2923 H20 DWT A 335 -3.518 13.384 110.732 1.00 0.09 H HETATM 2924 H19 DWT A 335 -7.200 12.659 112.794 1.00 0.08 H HETATM 2925 H18 DWT A 335 -6.585 10.282 113.052 1.00 0.07 H HETATM 2926 H17 DWT A 335 -4.444 9.429 112.118 1.00 0.08 H HETATM 2927 H12 DWT A 335 -0.080 13.344 109.473 1.00 0.21 H HETATM 2928 H6 DWT A 335 0.054 11.795 106.667 1.00 0.06 H HETATM 2929 H5 DWT A 335 3.898 11.426 104.461 1.00 0.23 H HETATM 2930 H1 DWT A 335 1.052 12.299 102.385 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1478 1479 1486 1487 1488 CONECT 1486 1478 CONECT 1487 1478 CONECT 1488 1478 CONECT 2874 2875 CONECT 2875 2874 2876 2877 2878 CONECT 2876 2875 CONECT 2877 2875 CONECT 2878 2875 2879 2883 CONECT 2879 2878 2880 2930 CONECT 2880 2879 2881 2887 CONECT 2881 2880 2882 2886 CONECT 2882 2881 2883 2885 CONECT 2883 2878 2882 2884 CONECT 2884 2883 CONECT 2885 2882 CONECT 2886 2881 CONECT 2887 2880 2888 2929 CONECT 2888 2887 2889 2890 CONECT 2889 2888 CONECT 2890 2888 2891 2895 CONECT 2891 2890 2892 2928 CONECT 2892 2891 2893 2902 CONECT 2893 2892 2894 2898 CONECT 2894 2893 2895 2897 CONECT 2895 2890 2894 2896 CONECT 2896 2895 CONECT 2897 2894 CONECT 2898 2893 2899 2900 2901 CONECT 2899 2898 CONECT 2900 2898 CONECT 2901 2898 CONECT 2902 2892 2903 2927 CONECT 2903 2902 2904 2908 CONECT 2904 2903 2905 CONECT 2905 2904 2906 2917 CONECT 2906 2905 2907 CONECT 2907 2906 2908 2915 CONECT 2908 2903 2907 2909 CONECT 2909 2908 2910 2916 CONECT 2910 2909 2911 2915 CONECT 2911 2910 2912 2913 2914 CONECT 2912 2911 CONECT 2913 2911 CONECT 2914 2911 CONECT 2915 2907 2910 CONECT 2916 2909 CONECT 2917 2905 2918 2922 CONECT 2918 2917 2919 2926 CONECT 2919 2918 2920 2925 CONECT 2920 2919 2921 2924 CONECT 2921 2920 2922 CONECT 2922 2917 2921 2923 CONECT 2923 2922 CONECT 2924 2920 CONECT 2925 2919 CONECT 2926 2918 CONECT 2927 2902 CONECT 2928 2891 CONECT 2929 2887 CONECT 2930 2879 MASTER 0 0 0 0 0 0 0 0 2928 2 65 21 END
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Related entries of code: 6fnj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
302aa, >2VWU_1|Chain... *
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PDBbind
302aa, >2VWV_1|Chain... at 100%
2vww
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PDBbind
302aa, >2VWW_1|Chain... at 100%
2vwx
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PDBbind
302aa, >2VWX_1|Chain... at 100%
2vwy
RCSB PDB
PDBbind
302aa, >2VWY_1|Chain... at 100%
2vwz
RCSB PDB
PDBbind
302aa, >2VWZ_1|Chain... at 100%
2vx0
RCSB PDB
PDBbind
302aa, >2VX0_1|Chain... at 100%
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RCSB PDB
PDBbind
302aa, >2VX1_1|Chain... at 100%
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RCSB PDB
PDBbind
302aa, >2X9F_1|Chain... at 100%
2xvd
RCSB PDB
PDBbind
302aa, >2XVD_1|Chain... at 100%
4aw5
RCSB PDB
PDBbind
291aa, >4AW5_1|Chain... at 97%
4bb4
RCSB PDB
PDBbind
302aa, >4BB4_1|Chain... at 100%
6fni
RCSB PDB
PDBbind
297aa, >6FNI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6fng
RCSB PDB
PDBbind
DWT
Entry Information
PDB ID
6fnj
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
EphB4 Receptor Protein Kinase
Ligand Name
DWT
EC.Number
E.C.-.-.-.-
Resolution
1.24(Å)
Affinity (Kd/Ki/IC50)
Kd=142nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ChemMedChem Vol. 13: pp. 1629-1633
Ligand Properties
Formula
C
2
6
H
2
0
F
3
N
7
O
Molecular Weight
503.479
Exact Mass
503.168
No. of atoms
57
No. of bonds
61
Polar Surface Area
97.62
LOGP Value
4.74 (
Computed with XLOGP3
)
5.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
Cn1nc2c(c1)c(Nc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F)nc(n2)c1cccnc1
InChI String
InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)31-19-7-3-6-18(12-19)26(27,28)29)11-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,31,37)(H,32,33,34,35)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P54760
Entrez Gene ID
NCBI Entrez Gene ID:
2050
ASD
Information of known allosteric effects of PDB entries
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