Browse entries in the PDBbind-CN Database
HEADER 6FNI_COMPLEX COMPND 6FNI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 43 ALA LYS GLU ILE ASP VAL SER TYR VAL LYS ILE GLU GLU SEQRES 2 A 43 VAL ILE GLY ALA GLY GLU PHE GLY GLU VAL CYS ARG GLY SEQRES 3 A 43 ARG LEU LYS ALA PRO GLY LYS LYS GLU SER CYS VAL ALA SEQRES 4 A 43 ILE LYS THR LEU SEQRES 1 A 110 GLU ARG GLN ARG ARG GLU PHE LEU SER GLU ALA SER ILE SEQRES 2 A 110 MET GLY GLN PHE GLU HIS PRO ASN ILE ILE ARG LEU GLU SEQRES 3 A 110 GLY VAL VAL THR ASN SER MET PRO VAL MET ILE LEU THR SEQRES 4 A 110 GLU PHE MET GLU ASN GLY ALA LEU ASP SER PHE LEU ARG SEQRES 5 A 110 LEU ASN ASP GLY GLN PHE THR VAL ILE GLN LEU VAL GLY SEQRES 6 A 110 MET LEU ARG GLY ILE ALA SER GLY MET ARG TYR LEU ALA SEQRES 7 A 110 GLU MET SER TYR VAL HIS ARG ASP LEU ALA ALA ARG ASN SEQRES 8 A 110 ILE LEU VAL ASN SER ASN LEU VAL CYS LYS VAL SER ASP SEQRES 9 A 110 PHE GLY LEU SER ARG PHE SEQRES 1 A 108 ILE PRO ILE ARG TRP THR ALA PRO GLU ALA ILE ALA PHE SEQRES 2 A 108 ARG LYS PHE THR SER ALA SER ASP VAL TRP SER TYR GLY SEQRES 3 A 108 ILE VAL MET TRP GLU VAL MET SER PHE GLY GLU ARG PRO SEQRES 4 A 108 TYR TRP ASP MET SER ASN GLN ASP VAL ILE ASN ALA ILE SEQRES 5 A 108 GLU GLN ASP TYR ARG LEU PRO PRO PRO PRO ASP CYS PRO SEQRES 6 A 108 THR SER LEU HIS GLN LEU MET LEU ASP CYS TRP GLN LYS SEQRES 7 A 108 ASP ARG ASN ALA ARG PRO ARG PHE PRO GLN ILE VAL SER SEQRES 8 A 108 ALA LEU ASP LYS MET ILE ARG ASN PRO ALA SER LEU LYS SEQRES 9 A 108 ILE VAL ALA ARG HET DXH A 497 57 ATOM 1 N ALA A 607 24.073 100.208 -9.955 1.00103.75 N ATOM 2 CA ALA A 607 25.205 100.069 -9.047 1.00108.90 C ATOM 3 C ALA A 607 25.933 101.396 -8.864 1.00111.94 C ATOM 4 O ALA A 607 27.118 101.513 -9.178 1.00113.53 O ATOM 5 CB ALA A 607 26.163 99.003 -9.551 1.00110.13 C ATOM 6 HN3 ALA A 607 24.412 100.531 -10.883 1.00 0.00 H ATOM 7 HN2 ALA A 607 23.403 100.903 -9.568 1.00 0.00 H ATOM 8 HN1 ALA A 607 23.598 99.288 -10.059 1.00 0.00 H ATOM 9 N LYS A 608 25.213 102.394 -8.360 1.00108.72 N ATOM 10 CA LYS A 608 25.816 103.690 -8.091 1.00107.78 C ATOM 11 C LYS A 608 26.902 103.537 -7.037 1.00107.78 C ATOM 12 O LYS A 608 26.656 103.009 -5.950 1.00106.32 O ATOM 13 CB LYS A 608 24.748 104.645 -7.566 1.00107.89 C ATOM 14 CG LYS A 608 23.396 104.515 -8.239 1.00111.52 C ATOM 15 CD LYS A 608 23.328 105.325 -9.520 1.00116.06 C ATOM 16 CE LYS A 608 21.940 105.251 -10.133 1.00112.86 C ATOM 17 NZ LYS A 608 21.753 106.256 -11.213 1.00114.33 N ATOM 18 HZ1 LYS A 608 21.886 107.211 -10.823 1.00 0.00 H ATOM 19 HZ2 LYS A 608 22.450 106.088 -11.966 1.00 0.00 H ATOM 20 HZ3 LYS A 608 20.793 106.170 -11.603 1.00 0.00 H ATOM 21 H LYS A 608 24.204 102.246 -8.155 1.00 0.00 H ATOM 22 N GLU A 609 28.107 103.991 -7.358 1.00108.64 N ATOM 23 CA GLU A 609 29.173 104.005 -6.370 1.00110.21 C ATOM 24 C GLU A 609 28.970 105.167 -5.411 1.00110.01 C ATOM 25 O GLU A 609 28.630 106.279 -5.822 1.00110.36 O ATOM 26 CB GLU A 609 30.537 104.122 -7.049 1.00110.73 C ATOM 27 CG GLU A 609 31.317 102.819 -7.092 1.00107.76 C ATOM 28 CD GLU A 609 31.940 102.470 -5.754 1.00108.64 C ATOM 29 OE1 GLU A 609 32.394 101.322 -5.591 1.00110.59 O ATOM 30 OE2 GLU A 609 31.982 103.343 -4.865 1.00108.87 O ATOM 31 H GLU A 609 28.289 104.338 -8.321 1.00 0.00 H ATOM 32 N ILE A 610 29.173 104.903 -4.125 1.00110.22 N ATOM 33 CA ILE A 610 29.011 105.903 -3.079 1.00113.38 C ATOM 34 C ILE A 610 30.352 106.103 -2.389 1.00119.44 C ATOM 35 O ILE A 610 31.029 105.127 -2.044 1.00119.67 O ATOM 36 CB ILE A 610 27.930 105.487 -2.066 1.00112.89 C ATOM 37 CG1 ILE A 610 26.591 105.268 -2.772 1.00107.03 C ATOM 38 CG2 ILE A 610 27.792 106.531 -0.978 1.00117.64 C ATOM 39 CD1 ILE A 610 25.466 104.895 -1.834 1.00 98.85 C ATOM 40 H ILE A 610 29.460 103.941 -3.854 1.00 0.00 H ATOM 41 N ASP A 611 30.738 107.364 -2.201 1.00122.89 N ATOM 42 CA ASP A 611 31.934 107.689 -1.437 1.00127.26 C ATOM 43 C ASP A 611 31.659 107.446 0.039 1.00127.74 C ATOM 44 O ASP A 611 30.601 107.811 0.557 1.00128.09 O ATOM 45 CB ASP A 611 32.337 109.148 -1.683 1.00131.79 C ATOM 46 CG ASP A 611 33.529 109.600 -0.831 1.00133.41 C ATOM 47 OD1 ASP A 611 33.513 109.446 0.409 1.00133.31 O ATOM 48 OD2 ASP A 611 34.507 110.109 -1.420 1.00133.83 O ATOM 49 H ASP A 611 30.172 108.135 -2.610 1.00 0.00 H ATOM 50 N VAL A 612 32.634 106.842 0.719 1.00128.52 N ATOM 51 CA VAL A 612 32.425 106.416 2.098 1.00128.92 C ATOM 52 C VAL A 612 32.239 107.605 3.033 1.00131.46 C ATOM 53 O VAL A 612 31.508 107.510 4.026 1.00131.70 O ATOM 54 CB VAL A 612 33.550 105.456 2.535 1.00128.69 C ATOM 55 CG1 VAL A 612 33.755 105.491 4.038 1.00131.15 C ATOM 56 CG2 VAL A 612 33.236 104.044 2.073 1.00127.40 C ATOM 57 H VAL A 612 33.553 106.673 0.261 1.00 0.00 H ATOM 58 N SER A 613 32.858 108.749 2.727 1.00133.43 N ATOM 59 CA SER A 613 32.719 109.907 3.604 1.00134.22 C ATOM 60 C SER A 613 31.267 110.331 3.779 1.00133.61 C ATOM 61 O SER A 613 30.952 111.033 4.746 1.00134.43 O ATOM 62 CB SER A 613 33.570 111.076 3.107 1.00136.81 C ATOM 63 OG SER A 613 33.115 111.541 1.850 1.00137.60 O ATOM 64 HG SER A 613 33.169 110.806 1.189 1.00 0.00 H ATOM 65 H SER A 613 33.437 108.814 1.866 1.00 0.00 H ATOM 66 N TYR A 614 30.377 109.919 2.874 1.00132.01 N ATOM 67 CA TYR A 614 28.951 110.140 3.066 1.00128.97 C ATOM 68 C TYR A 614 28.344 109.120 4.014 1.00127.00 C ATOM 69 O TYR A 614 27.313 109.401 4.636 1.00123.25 O ATOM 70 CB TYR A 614 28.203 110.021 1.736 1.00127.21 C ATOM 71 CG TYR A 614 28.791 110.784 0.572 1.00129.10 C ATOM 72 CD1 TYR A 614 28.502 110.403 -0.737 1.00129.68 C ATOM 73 CD2 TYR A 614 29.618 111.887 0.773 1.00128.47 C ATOM 74 CE1 TYR A 614 29.025 111.088 -1.808 1.00128.04 C ATOM 75 CE2 TYR A 614 30.151 112.575 -0.294 1.00127.25 C ATOM 76 CZ TYR A 614 29.851 112.171 -1.581 1.00127.65 C ATOM 77 OH TYR A 614 30.375 112.861 -2.645 1.00124.09 O ATOM 78 HH TYR A 614 30.066 112.447 -3.490 1.00 0.00 H ATOM 79 H TYR A 614 30.708 109.432 2.017 1.00 0.00 H ATOM 80 N VAL A 615 28.963 107.947 4.136 1.00128.06 N ATOM 81 CA VAL A 615 28.395 106.809 4.847 1.00125.13 C ATOM 82 C VAL A 615 29.034 106.691 6.220 1.00125.67 C ATOM 83 O VAL A 615 30.262 106.593 6.339 1.00128.18 O ATOM 84 CB VAL A 615 28.620 105.511 4.054 1.00122.85 C ATOM 85 CG1 VAL A 615 28.138 104.347 4.869 1.00121.25 C ATOM 86 CG2 VAL A 615 27.924 105.564 2.704 1.00121.48 C ATOM 87 H VAL A 615 29.901 107.838 3.701 1.00 0.00 H ATOM 88 N LYS A 616 28.200 106.671 7.261 1.00123.73 N ATOM 89 CA LYS A 616 28.648 106.477 8.638 1.00124.40 C ATOM 90 C LYS A 616 27.869 105.308 9.227 1.00119.92 C ATOM 91 O LYS A 616 26.636 105.333 9.245 1.00117.71 O ATOM 92 CB LYS A 616 28.426 107.749 9.470 1.00127.92 C ATOM 93 CG LYS A 616 29.668 108.639 9.639 1.00130.58 C ATOM 94 CD LYS A 616 30.357 108.874 8.300 1.00133.64 C ATOM 95 CE LYS A 616 31.096 110.195 8.171 1.00137.63 C ATOM 96 NZ LYS A 616 32.035 110.115 7.004 1.00141.02 N ATOM 97 HZ1 LYS A 616 32.716 109.345 7.161 1.00 0.00 H ATOM 98 HZ2 LYS A 616 31.493 109.929 6.136 1.00 0.00 H ATOM 99 HZ3 LYS A 616 32.545 111.016 6.909 1.00 0.00 H ATOM 100 H LYS A 616 27.183 106.800 7.084 1.00 0.00 H ATOM 101 N ILE A 617 28.581 104.294 9.711 1.00118.83 N ATOM 102 CA ILE A 617 27.966 103.044 10.151 1.00115.95 C ATOM 103 C ILE A 617 27.562 103.161 11.613 1.00114.57 C ATOM 104 O ILE A 617 28.356 103.593 12.455 1.00117.37 O ATOM 105 CB ILE A 617 28.923 101.858 9.941 1.00115.59 C ATOM 106 CG1 ILE A 617 29.069 101.534 8.453 1.00116.96 C ATOM 107 CG2 ILE A 617 28.444 100.636 10.710 1.00114.60 C ATOM 108 CD1 ILE A 617 30.104 102.372 7.733 1.00120.17 C ATOM 109 H ILE A 617 29.614 104.395 9.779 1.00 0.00 H ATOM 110 N GLU A 618 26.327 102.765 11.919 1.00111.78 N ATOM 111 CA GLU A 618 25.873 102.710 13.303 1.00111.05 C ATOM 112 C GLU A 618 25.481 101.290 13.695 1.00106.99 C ATOM 113 O GLU A 618 26.066 100.328 13.189 1.00105.97 O ATOM 114 CB GLU A 618 24.752 103.720 13.549 1.00112.07 C ATOM 115 CG GLU A 618 25.192 105.154 13.300 1.00116.26 C ATOM 116 CD GLU A 618 24.038 106.129 13.284 1.00119.20 C ATOM 117 OE1 GLU A 618 22.877 105.675 13.342 1.00117.43 O ATOM 118 OE2 GLU A 618 24.291 107.349 13.213 1.00118.52 O ATOM 119 H GLU A 618 25.675 102.490 11.157 1.00 0.00 H ATOM 120 N GLU A 619 24.489 101.150 14.576 1.00105.54 N ATOM 121 CA GLU A 619 24.263 99.891 15.281 1.00103.59 C ATOM 122 C GLU A 619 24.097 98.721 14.319 1.00 98.07 C ATOM 123 O GLU A 619 23.621 98.870 13.190 1.00 96.14 O ATOM 124 CB GLU A 619 23.022 99.983 16.169 1.00105.05 C ATOM 125 CG GLU A 619 22.850 101.314 16.866 1.00109.33 C ATOM 126 CD GLU A 619 21.862 102.212 16.156 1.00111.68 C ATOM 127 OE1 GLU A 619 20.819 101.695 15.705 1.00107.08 O ATOM 128 OE2 GLU A 619 22.132 103.429 16.054 1.00113.59 O ATOM 129 H GLU A 619 23.861 101.957 14.765 1.00 0.00 H ATOM 130 N VAL A 620 24.509 97.548 14.782 1.00 95.48 N ATOM 131 CA VAL A 620 24.293 96.311 14.046 1.00 91.81 C ATOM 132 C VAL A 620 22.842 95.891 14.229 1.00 91.59 C ATOM 133 O VAL A 620 22.342 95.812 15.357 1.00 92.75 O ATOM 134 CB VAL A 620 25.254 95.217 14.537 1.00 91.42 C ATOM 135 CG1 VAL A 620 24.670 93.836 14.285 1.00 90.75 C ATOM 136 CG2 VAL A 620 26.597 95.351 13.859 1.00 93.52 C ATOM 137 H VAL A 620 25.001 97.511 15.698 1.00 0.00 H ATOM 138 N ILE A 621 22.158 95.634 13.117 1.00 89.00 N ATOM 139 CA ILE A 621 20.769 95.189 13.146 1.00 84.28 C ATOM 140 C ILE A 621 20.611 93.718 12.813 1.00 82.34 C ATOM 141 O ILE A 621 19.485 93.201 12.892 1.00 81.99 O ATOM 142 CB ILE A 621 19.873 96.046 12.231 1.00 82.77 C ATOM 143 CG1 ILE A 621 20.410 96.009 10.803 1.00 81.50 C ATOM 144 CG2 ILE A 621 19.800 97.467 12.745 1.00 85.99 C ATOM 145 CD1 ILE A 621 19.478 96.604 9.786 1.00 74.16 C ATOM 146 H ILE A 621 22.629 95.754 12.197 1.00 0.00 H ATOM 147 N GLY A 622 21.682 93.032 12.439 1.00 81.99 N ATOM 148 CA GLY A 622 21.582 91.632 12.095 1.00 81.25 C ATOM 149 C GLY A 622 22.859 91.157 11.435 1.00 81.95 C ATOM 150 O GLY A 622 23.852 91.881 11.365 1.00 83.55 O ATOM 151 H GLY A 622 22.606 93.507 12.393 1.00 0.00 H ATOM 152 N ALA A 623 22.808 89.923 10.951 1.00 83.27 N ATOM 153 CA ALA A 623 23.947 89.294 10.307 1.00 84.95 C ATOM 154 C ALA A 623 23.514 88.687 8.983 1.00 85.40 C ATOM 155 O ALA A 623 22.384 88.215 8.836 1.00 81.74 O ATOM 156 CB ALA A 623 24.556 88.203 11.191 1.00 85.49 C ATOM 157 H ALA A 623 21.921 89.387 11.036 1.00 0.00 H ATOM 158 N GLY A 624 24.432 88.702 8.017 1.00 88.94 N ATOM 159 CA GLY A 624 24.190 88.152 6.705 1.00 88.04 C ATOM 160 C GLY A 624 25.168 87.038 6.374 1.00 89.33 C ATOM 161 O GLY A 624 26.036 86.677 7.171 1.00 89.55 O ATOM 162 H GLY A 624 25.360 89.127 8.217 1.00 0.00 H ATOM 163 N GLU A 625 25.004 86.499 5.163 1.00 90.16 N ATOM 164 CA GLU A 625 25.873 85.422 4.703 1.00 94.22 C ATOM 165 C GLU A 625 27.333 85.848 4.680 1.00 95.25 C ATOM 166 O GLU A 625 28.224 85.023 4.898 1.00 98.76 O ATOM 167 CB GLU A 625 25.439 84.959 3.311 1.00 96.86 C ATOM 168 CG GLU A 625 26.332 83.889 2.696 1.00 98.95 C ATOM 169 CD GLU A 625 25.994 83.603 1.244 1.00 99.43 C ATOM 170 OE1 GLU A 625 24.939 84.074 0.774 1.00 99.67 O ATOM 171 OE2 GLU A 625 26.783 82.906 0.574 1.00 96.49 O ATOM 172 H GLU A 625 24.248 86.851 4.541 1.00 0.00 H ATOM 173 N PHE A 626 27.600 87.126 4.432 1.00 94.18 N ATOM 174 CA PHE A 626 28.962 87.613 4.287 1.00 94.63 C ATOM 175 C PHE A 626 29.387 88.554 5.404 1.00 93.99 C ATOM 176 O PHE A 626 30.441 89.186 5.297 1.00 96.72 O ATOM 177 CB PHE A 626 29.147 88.280 2.927 1.00 97.35 C ATOM 178 CG PHE A 626 29.097 87.323 1.777 1.00 98.94 C ATOM 179 CD1 PHE A 626 30.227 86.622 1.396 1.00100.00 C ATOM 180 CD2 PHE A 626 27.924 87.125 1.074 1.00 99.49 C ATOM 181 CE1 PHE A 626 30.188 85.740 0.336 1.00101.30 C ATOM 182 CE2 PHE A 626 27.879 86.244 0.013 1.00101.66 C ATOM 183 CZ PHE A 626 29.013 85.551 -0.356 1.00102.29 C ATOM 184 H PHE A 626 26.811 87.798 4.339 1.00 0.00 H ATOM 185 N GLY A 627 28.603 88.665 6.469 1.00 93.80 N ATOM 186 CA GLY A 627 29.009 89.504 7.576 1.00 93.81 C ATOM 187 C GLY A 627 27.893 90.321 8.186 1.00 92.31 C ATOM 188 O GLY A 627 26.721 89.941 8.121 1.00 91.19 O ATOM 189 H GLY A 627 27.700 88.151 6.508 1.00 0.00 H ATOM 190 N GLU A 628 28.251 91.455 8.776 1.00 93.70 N ATOM 191 CA GLU A 628 27.295 92.239 9.534 1.00 94.27 C ATOM 192 C GLU A 628 26.317 92.951 8.607 1.00 91.34 C ATOM 193 O GLU A 628 26.561 93.137 7.412 1.00 90.67 O ATOM 194 CB GLU A 628 28.023 93.277 10.389 1.00 97.15 C ATOM 195 CG GLU A 628 29.169 92.711 11.209 1.00102.31 C ATOM 196 CD GLU A 628 29.236 93.294 12.606 1.00104.32 C ATOM 197 OE1 GLU A 628 28.974 92.550 13.573 1.00103.33 O ATOM 198 OE2 GLU A 628 29.553 94.495 12.737 1.00105.33 O ATOM 199 H GLU A 628 29.233 91.787 8.693 1.00 0.00 H ATOM 200 N VAL A 629 25.182 93.334 9.182 1.00 86.96 N ATOM 201 CA VAL A 629 24.235 94.247 8.559 1.00 84.16 C ATOM 202 C VAL A 629 23.951 95.345 9.570 1.00 84.18 C ATOM 203 O VAL A 629 23.590 95.056 10.715 1.00 84.94 O ATOM 204 CB VAL A 629 22.933 93.536 8.154 1.00 80.12 C ATOM 205 CG1 VAL A 629 21.981 94.525 7.516 1.00 75.25 C ATOM 206 CG2 VAL A 629 23.231 92.393 7.205 1.00 79.07 C ATOM 207 H VAL A 629 24.959 92.962 10.127 1.00 0.00 H ATOM 208 N CYS A 630 24.124 96.596 9.159 1.00 83.43 N ATOM 209 CA CYS A 630 24.084 97.708 10.093 1.00 85.75 C ATOM 210 C CYS A 630 23.115 98.779 9.626 1.00 84.55 C ATOM 211 O CYS A 630 22.766 98.875 8.448 1.00 81.79 O ATOM 212 CB CYS A 630 25.463 98.350 10.271 1.00 92.20 C ATOM 213 SG CYS A 630 26.750 97.231 10.817 1.00 87.30 S ATOM 214 H CYS A 630 24.291 96.783 8.150 1.00 0.00 H ATOM 215 N ARG A 631 22.695 99.589 10.587 1.00 88.54 N ATOM 216 CA ARG A 631 21.970 100.821 10.346 1.00 89.11 C ATOM 217 C ARG A 631 22.978 101.942 10.138 1.00 94.18 C ATOM 218 O ARG A 631 24.064 101.934 10.722 1.00 98.77 O ATOM 219 CB ARG A 631 21.127 101.135 11.578 1.00 89.45 C ATOM 220 CG ARG A 631 19.930 102.014 11.341 1.00 87.02 C ATOM 221 CD ARG A 631 19.617 102.803 12.597 1.00 92.16 C ATOM 222 NE ARG A 631 18.276 103.377 12.575 1.00 90.72 N ATOM 223 CZ ARG A 631 17.946 104.484 11.920 1.00 90.74 C ATOM 224 NH1 ARG A 631 16.700 104.933 11.964 1.00 89.40 N ATOM 225 NH2 ARG A 631 18.858 105.138 11.214 1.00 94.08 N ATOM 226 HE ARG A 631 17.529 102.887 13.107 1.00 0.00 H ATOM 227 HH12 ARG A 631 16.441 105.800 11.451 1.00 0.00 H ATOM 228 HH11 ARG A 631 15.981 104.418 12.511 1.00 0.00 H ATOM 229 HH22 ARG A 631 18.596 106.005 10.702 1.00 0.00 H ATOM 230 HH21 ARG A 631 19.835 104.784 11.172 1.00 0.00 H ATOM 231 H ARG A 631 22.897 99.325 11.572 1.00 0.00 H ATOM 232 N GLY A 632 22.619 102.909 9.299 1.00 92.94 N ATOM 233 CA GLY A 632 23.570 103.963 9.006 1.00100.88 C ATOM 234 C GLY A 632 22.909 105.212 8.467 1.00100.14 C ATOM 235 O GLY A 632 21.686 105.299 8.348 1.00 94.99 O ATOM 236 H GLY A 632 21.675 102.909 8.862 1.00 0.00 H ATOM 237 N ARG A 633 23.756 106.180 8.127 1.00106.78 N ATOM 238 CA ARG A 633 23.309 107.429 7.551 1.00106.22 C ATOM 239 C ARG A 633 24.020 107.711 6.244 1.00106.87 C ATOM 240 O ARG A 633 25.148 107.321 6.018 1.00110.20 O ATOM 241 CB ARG A 633 23.478 108.563 8.535 1.00110.66 C ATOM 242 CG ARG A 633 23.734 108.096 9.942 1.00113.00 C ATOM 243 CD ARG A 633 23.873 109.267 10.881 1.00115.81 C ATOM 244 NE ARG A 633 22.577 109.883 11.138 1.00119.78 N ATOM 245 CZ ARG A 633 21.769 109.517 12.122 1.00121.53 C ATOM 246 NH1 ARG A 633 22.138 108.557 12.959 1.00121.70 N ATOM 247 NH2 ARG A 633 20.609 110.122 12.277 1.00121.90 N ATOM 248 HE ARG A 633 22.269 110.655 10.513 1.00 0.00 H ATOM 249 HH12 ARG A 633 21.504 108.269 13.732 1.00 0.00 H ATOM 250 HH11 ARG A 633 23.061 108.092 12.843 1.00 0.00 H ATOM 251 HH22 ARG A 633 19.973 109.837 13.049 1.00 0.00 H ATOM 252 HH21 ARG A 633 20.330 110.885 11.628 1.00 0.00 H ATOM 253 H ARG A 633 24.774 106.034 8.281 1.00 0.00 H ATOM 254 N LEU A 634 23.316 108.374 5.366 1.00105.37 N ATOM 255 CA LEU A 634 23.853 108.711 4.053 1.00108.20 C ATOM 256 C LEU A 634 23.663 110.201 3.822 1.00114.62 C ATOM 257 O LEU A 634 22.537 110.703 3.902 1.00112.80 O ATOM 258 CB LEU A 634 23.149 107.916 2.952 1.00104.84 C ATOM 259 CG LEU A 634 23.731 108.075 1.549 1.00105.71 C ATOM 260 CD1 LEU A 634 25.187 107.665 1.540 1.00111.98 C ATOM 261 CD2 LEU A 634 22.939 107.267 0.538 1.00 99.16 C ATOM 262 H LEU A 634 22.349 108.669 5.609 1.00 0.00 H ATOM 263 N LYS A 635 24.758 110.904 3.536 1.00118.90 N ATOM 264 CA LYS A 635 24.738 112.349 3.308 1.00118.84 C ATOM 265 C LYS A 635 25.455 112.630 1.992 1.00120.51 C ATOM 266 O LYS A 635 26.684 112.731 1.952 1.00123.15 O ATOM 267 CB LYS A 635 25.371 113.102 4.473 1.00119.68 C ATOM 268 CG LYS A 635 25.504 114.596 4.234 1.00121.37 C ATOM 269 CD LYS A 635 24.146 115.240 4.000 1.00120.97 C ATOM 270 CE LYS A 635 24.287 116.614 3.365 1.00120.07 C ATOM 271 NZ LYS A 635 24.318 116.530 1.880 1.00118.71 N ATOM 272 HZ1 LYS A 635 25.126 115.946 1.584 1.00 0.00 H ATOM 273 HZ2 LYS A 635 23.435 116.099 1.540 1.00 0.00 H ATOM 274 HZ3 LYS A 635 24.415 117.486 1.482 1.00 0.00 H ATOM 275 H LYS A 635 25.667 110.403 3.472 1.00 0.00 H ATOM 276 N ALA A 636 24.683 112.761 0.927 1.00120.09 N ATOM 277 CA ALA A 636 25.239 113.061 -0.384 1.00121.39 C ATOM 278 C ALA A 636 25.139 114.551 -0.685 1.00120.65 C ATOM 279 O ALA A 636 24.214 115.227 -0.217 1.00119.44 O ATOM 280 CB ALA A 636 24.492 112.292 -1.468 1.00119.70 C ATOM 281 H ALA A 636 23.654 112.647 1.028 1.00 0.00 H ATOM 282 N PRO A 637 26.118 115.044 -1.440 1.00121.90 N ATOM 283 CA PRO A 637 26.031 116.391 -2.006 1.00121.94 C ATOM 284 C PRO A 637 24.639 116.691 -2.542 1.00119.45 C ATOM 285 O PRO A 637 24.057 115.906 -3.295 1.00118.10 O ATOM 286 CB PRO A 637 27.067 116.342 -3.131 1.00116.43 C ATOM 287 CG PRO A 637 28.112 115.345 -2.638 1.00117.06 C ATOM 288 CD PRO A 637 27.484 114.514 -1.533 1.00121.77 C ATOM 289 N GLY A 638 24.093 117.828 -2.111 1.00116.77 N ATOM 290 CA GLY A 638 22.848 118.344 -2.632 1.00115.95 C ATOM 291 C GLY A 638 21.596 117.618 -2.197 1.00117.52 C ATOM 292 O GLY A 638 20.496 118.058 -2.553 1.00116.95 O ATOM 293 H GLY A 638 24.584 118.366 -1.369 1.00 0.00 H ATOM 294 N LYS A 639 21.712 116.526 -1.447 1.00117.06 N ATOM 295 CA LYS A 639 20.562 115.752 -1.015 1.00113.58 C ATOM 296 C LYS A 639 20.515 115.712 0.502 1.00111.97 C ATOM 297 O LYS A 639 21.542 115.832 1.177 1.00114.30 O ATOM 298 CB LYS A 639 20.615 114.328 -1.565 1.00112.36 C ATOM 299 CG LYS A 639 20.625 114.258 -3.080 1.00111.02 C ATOM 300 CD LYS A 639 20.381 112.838 -3.555 1.00108.78 C ATOM 301 CE LYS A 639 19.236 112.787 -4.554 1.00106.54 C ATOM 302 NZ LYS A 639 18.688 111.411 -4.707 1.00103.45 N ATOM 303 HZ1 LYS A 639 19.440 110.775 -5.042 1.00 0.00 H ATOM 304 HZ2 LYS A 639 18.333 111.077 -3.789 1.00 0.00 H ATOM 305 HZ3 LYS A 639 17.910 111.424 -5.397 1.00 0.00 H ATOM 306 H LYS A 639 22.662 116.215 -1.159 1.00 0.00 H ATOM 307 N LYS A 640 19.306 115.552 1.028 1.00110.27 N ATOM 308 CA LYS A 640 19.122 115.479 2.464 1.00109.15 C ATOM 309 C LYS A 640 19.826 114.247 3.011 1.00109.63 C ATOM 310 O LYS A 640 20.189 113.323 2.280 1.00111.61 O ATOM 311 CB LYS A 640 17.638 115.357 2.809 1.00106.62 C ATOM 312 CG LYS A 640 16.686 116.177 1.951 1.00103.75 C ATOM 313 CD LYS A 640 17.059 117.646 1.892 1.00 97.89 C ATOM 314 CE LYS A 640 15.881 118.475 1.416 1.00 94.13 C ATOM 315 NZ LYS A 640 14.881 117.648 0.684 1.00 96.16 N ATOM 316 HZ1 LYS A 640 15.333 117.215 -0.147 1.00 0.00 H ATOM 317 HZ2 LYS A 640 14.522 116.902 1.314 1.00 0.00 H ATOM 318 HZ3 LYS A 640 14.092 118.252 0.376 1.00 0.00 H ATOM 319 H LYS A 640 18.480 115.478 0.401 1.00 0.00 H ATOM 320 N GLU A 641 19.960 114.218 4.334 1.00108.85 N ATOM 321 CA GLU A 641 20.555 113.086 5.028 1.00110.27 C ATOM 322 C GLU A 641 19.427 112.096 5.305 1.00108.94 C ATOM 323 O GLU A 641 18.361 112.481 5.785 1.00110.35 O ATOM 324 CB GLU A 641 21.206 113.534 6.337 1.00112.69 C ATOM 325 CG GLU A 641 21.967 112.434 7.059 1.00114.33 C ATOM 326 CD GLU A 641 21.972 112.621 8.564 1.00117.29 C ATOM 327 OE1 GLU A 641 21.051 113.285 9.085 1.00120.02 O ATOM 328 OE2 GLU A 641 22.897 112.105 9.225 1.00117.98 O ATOM 329 H GLU A 641 19.629 115.031 4.891 1.00 0.00 H ATOM 330 N SER A 642 19.661 110.824 5.002 1.00104.67 N ATOM 331 CA SER A 642 18.648 109.797 5.184 1.00 98.92 C ATOM 332 C SER A 642 19.247 108.608 5.919 1.00 95.95 C ATOM 333 O SER A 642 20.465 108.472 6.041 1.00 99.50 O ATOM 334 CB SER A 642 18.073 109.337 3.840 1.00 96.84 C ATOM 335 OG SER A 642 19.079 108.749 3.038 1.00 95.89 O ATOM 336 HG SER A 642 18.686 108.460 2.177 1.00 0.00 H ATOM 337 H SER A 642 20.592 110.556 4.625 1.00 0.00 H ATOM 338 N CYS A 643 18.370 107.740 6.411 1.00 90.71 N ATOM 339 CA CYS A 643 18.788 106.502 7.048 1.00 87.13 C ATOM 340 C CYS A 643 18.930 105.412 5.999 1.00 80.89 C ATOM 341 O CYS A 643 18.141 105.338 5.055 1.00 76.90 O ATOM 342 CB CYS A 643 17.764 106.064 8.092 1.00 83.17 C ATOM 343 SG CYS A 643 17.650 107.167 9.494 1.00 87.98 S ATOM 344 H CYS A 643 17.355 107.952 6.338 1.00 0.00 H ATOM 345 N VAL A 644 19.944 104.570 6.168 1.00 80.26 N ATOM 346 CA VAL A 644 20.210 103.483 5.239 1.00 75.96 C ATOM 347 C VAL A 644 20.535 102.221 6.020 1.00 76.46 C ATOM 348 O VAL A 644 21.015 102.274 7.155 1.00 81.55 O ATOM 349 CB VAL A 644 21.349 103.820 4.254 1.00 78.91 C ATOM 350 CG1 VAL A 644 20.908 104.892 3.281 1.00 80.94 C ATOM 351 CG2 VAL A 644 22.577 104.268 5.012 1.00 86.21 C ATOM 352 H VAL A 644 20.568 104.692 6.991 1.00 0.00 H ATOM 353 N ALA A 645 20.256 101.080 5.402 1.00 70.37 N ATOM 354 CA ALA A 645 20.664 99.781 5.908 1.00 70.64 C ATOM 355 C ALA A 645 21.808 99.275 5.047 1.00 72.59 C ATOM 356 O ALA A 645 21.795 99.449 3.826 1.00 69.78 O ATOM 357 CB ALA A 645 19.505 98.790 5.846 1.00 63.26 C ATOM 358 H ALA A 645 19.719 101.118 4.512 1.00 0.00 H ATOM 359 N ILE A 646 22.802 98.659 5.679 1.00 75.61 N ATOM 360 CA ILE A 646 24.064 98.380 5.005 1.00 80.03 C ATOM 361 C ILE A 646 24.507 96.955 5.298 1.00 79.17 C ATOM 362 O ILE A 646 24.665 96.577 6.462 1.00 80.07 O ATOM 363 CB ILE A 646 25.181 99.362 5.401 1.00 83.37 C ATOM 364 CG1 ILE A 646 24.733 100.821 5.275 1.00 83.20 C ATOM 365 CG2 ILE A 646 26.399 99.112 4.558 1.00 85.64 C ATOM 366 CD1 ILE A 646 24.067 101.377 6.512 1.00 87.01 C ATOM 367 H ILE A 646 22.677 98.371 6.671 1.00 0.00 H ATOM 368 N LYS A 647 24.729 96.178 4.244 1.00 79.00 N ATOM 369 CA LYS A 647 25.442 94.914 4.335 1.00 82.42 C ATOM 370 C LYS A 647 26.928 95.199 4.186 1.00 88.77 C ATOM 371 O LYS A 647 27.342 95.831 3.211 1.00 89.73 O ATOM 372 CB LYS A 647 25.028 94.011 3.178 1.00 78.93 C ATOM 373 CG LYS A 647 23.837 93.118 3.419 1.00 72.91 C ATOM 374 CD LYS A 647 23.841 92.026 2.372 1.00 66.24 C ATOM 375 CE LYS A 647 22.611 91.165 2.436 1.00 60.51 C ATOM 376 NZ LYS A 647 22.666 90.096 1.412 1.00 59.11 N ATOM 377 HZ1 LYS A 647 22.727 90.526 0.467 1.00 0.00 H ATOM 378 HZ2 LYS A 647 23.503 89.501 1.578 1.00 0.00 H ATOM 379 HZ3 LYS A 647 21.807 89.513 1.474 1.00 0.00 H ATOM 380 H LYS A 647 24.378 96.486 3.315 1.00 0.00 H ATOM 381 N THR A 648 27.729 94.727 5.133 1.00 92.74 N ATOM 382 CA THR A 648 29.174 94.889 5.058 1.00 95.44 C ATOM 383 C THR A 648 29.835 93.566 4.701 1.00 94.32 C ATOM 384 O THR A 648 29.197 92.513 4.659 1.00 94.04 O ATOM 385 CB THR A 648 29.743 95.426 6.375 1.00 94.88 C ATOM 386 OG1 THR A 648 29.633 94.420 7.385 1.00 94.52 O ATOM 387 CG2 THR A 648 28.989 96.665 6.812 1.00 92.99 C ATOM 388 HG1 THR A 648 28.680 94.181 7.509 1.00 0.00 H ATOM 389 H THR A 648 27.315 94.230 5.947 1.00 0.00 H ATOM 390 N LEU A 649 31.135 93.638 4.445 1.00 98.09 N ATOM 391 CA LEU A 649 31.909 92.465 4.064 1.00100.76 C ATOM 392 C LEU A 649 33.392 92.622 4.391 1.00101.45 C ATOM 393 O LEU A 649 33.773 93.445 5.222 1.00102.37 O ATOM 394 CB LEU A 649 31.727 92.167 2.574 1.00 97.59 C ATOM 395 CG LEU A 649 32.603 91.092 2.027 1.00 95.06 C ATOM 396 CD1 LEU A 649 31.840 90.116 1.319 1.00 96.98 C ATOM 397 CD2 LEU A 649 33.640 91.640 1.129 1.00 93.64 C ATOM 398 H LEU A 649 31.614 94.558 4.519 1.00 0.00 H TER 399 LEU A 649 ATOM 400 N GLU A 655 38.751 89.190 3.737 1.00 80.52 N ATOM 401 CA GLU A 655 37.786 88.660 2.783 1.00 87.14 C ATOM 402 C GLU A 655 38.452 88.285 1.483 1.00 88.19 C ATOM 403 O GLU A 655 39.378 88.938 1.012 1.00 88.93 O ATOM 404 CB GLU A 655 36.656 89.653 2.518 1.00 89.96 C ATOM 405 CG GLU A 655 37.131 91.023 2.082 1.00 90.00 C ATOM 406 CD GLU A 655 37.151 91.194 0.579 1.00 89.07 C ATOM 407 OE1 GLU A 655 37.583 92.266 0.105 1.00 86.09 O ATOM 408 OE2 GLU A 655 36.725 90.264 -0.130 1.00 91.85 O ATOM 409 HN3 GLU A 655 39.201 90.038 3.338 1.00 0.00 H ATOM 410 HN2 GLU A 655 39.476 88.470 3.931 1.00 0.00 H ATOM 411 HN1 GLU A 655 38.262 89.439 4.621 1.00 0.00 H ATOM 412 N ARG A 656 37.967 87.201 0.886 1.00 89.49 N ATOM 413 CA ARG A 656 38.509 86.716 -0.377 1.00 91.46 C ATOM 414 C ARG A 656 38.163 87.660 -1.524 1.00 93.84 C ATOM 415 O ARG A 656 37.700 88.779 -1.301 1.00 94.20 O ATOM 416 CB ARG A 656 37.989 85.309 -0.679 1.00 92.77 C ATOM 417 CG ARG A 656 38.432 84.253 0.322 1.00 97.03 C ATOM 418 CD ARG A 656 39.897 83.895 0.133 1.00101.79 C ATOM 419 NE ARG A 656 40.132 83.215 -1.138 1.00105.20 N ATOM 420 CZ ARG A 656 41.337 82.929 -1.619 1.00105.58 C ATOM 421 NH1 ARG A 656 42.423 83.266 -0.938 1.00105.35 N ATOM 422 NH2 ARG A 656 41.457 82.308 -2.784 1.00106.61 N ATOM 423 HE ARG A 656 39.304 82.937 -1.702 1.00 0.00 H ATOM 424 HH12 ARG A 656 43.365 83.041 -1.317 1.00 0.00 H ATOM 425 HH11 ARG A 656 42.333 83.756 -0.025 1.00 0.00 H ATOM 426 HH22 ARG A 656 42.401 82.085 -3.159 1.00 0.00 H ATOM 427 HH21 ARG A 656 40.607 82.044 -3.323 1.00 0.00 H ATOM 428 H ARG A 656 37.181 86.686 1.331 1.00 0.00 H ATOM 429 N GLN A 657 38.391 87.202 -2.750 1.00 95.33 N ATOM 430 CA GLN A 657 38.103 88.004 -3.933 1.00 97.05 C ATOM 431 C GLN A 657 36.740 87.653 -4.520 1.00 98.22 C ATOM 432 O GLN A 657 36.390 88.098 -5.613 1.00 97.27 O ATOM 433 CB GLN A 657 39.194 87.814 -4.989 1.00 96.87 C ATOM 434 CG GLN A 657 40.609 87.973 -4.455 1.00 97.96 C ATOM 435 CD GLN A 657 41.644 87.310 -5.341 1.00101.38 C ATOM 436 OE1 GLN A 657 42.577 86.670 -4.855 1.00100.13 O ATOM 437 NE2 GLN A 657 41.484 87.459 -6.651 1.00 99.01 N ATOM 438 HE22 GLN A 657 40.681 88.008 -7.018 1.00 0.00 H ATOM 439 HE21 GLN A 657 42.162 87.026 -7.310 1.00 0.00 H ATOM 440 H GLN A 657 38.785 86.247 -2.869 1.00 0.00 H ATOM 441 N ARG A 658 35.966 86.857 -3.778 1.00 97.81 N ATOM 442 CA ARG A 658 34.622 86.456 -4.209 1.00 96.02 C ATOM 443 C ARG A 658 33.769 87.665 -4.555 1.00 95.87 C ATOM 444 O ARG A 658 33.657 88.605 -3.774 1.00 93.32 O ATOM 445 CB ARG A 658 33.895 85.702 -3.116 1.00 94.27 C ATOM 446 CG ARG A 658 34.828 85.152 -2.072 1.00 94.55 C ATOM 447 CD ARG A 658 34.760 85.846 -0.721 1.00 94.49 C ATOM 448 NE ARG A 658 34.345 84.894 0.311 1.00 95.03 N ATOM 449 CZ ARG A 658 34.683 84.945 1.597 1.00 94.36 C ATOM 450 NH1 ARG A 658 34.226 84.046 2.452 1.00 95.26 N ATOM 451 NH2 ARG A 658 35.466 85.898 2.042 1.00 94.38 N ATOM 452 HE ARG A 658 33.732 84.109 0.013 1.00 0.00 H ATOM 453 HH12 ARG A 658 34.498 84.097 3.455 1.00 0.00 H ATOM 454 HH11 ARG A 658 33.595 83.288 2.122 1.00 0.00 H ATOM 455 HH22 ARG A 658 35.725 85.930 3.049 1.00 0.00 H ATOM 456 HH21 ARG A 658 35.828 86.621 1.388 1.00 0.00 H ATOM 457 H ARG A 658 36.327 86.511 -2.866 1.00 0.00 H ATOM 458 N ARG A 659 33.163 87.626 -5.736 1.00 96.78 N ATOM 459 CA ARG A 659 32.299 88.718 -6.169 1.00 97.02 C ATOM 460 C ARG A 659 30.832 88.399 -5.897 1.00 96.68 C ATOM 461 O ARG A 659 29.937 89.105 -6.363 1.00 95.65 O ATOM 462 CB ARG A 659 32.507 89.009 -7.657 1.00 98.36 C ATOM 463 CG ARG A 659 32.068 87.881 -8.577 1.00100.39 C ATOM 464 CD ARG A 659 32.391 88.195 -10.028 1.00102.39 C ATOM 465 NE ARG A 659 31.934 87.142 -10.930 1.00107.62 N ATOM 466 CZ ARG A 659 32.612 86.027 -11.183 1.00105.78 C ATOM 467 NH1 ARG A 659 32.120 85.123 -12.018 1.00102.32 N ATOM 468 NH2 ARG A 659 33.784 85.816 -10.600 1.00101.80 N ATOM 469 HE ARG A 659 31.018 87.273 -11.406 1.00 0.00 H ATOM 470 HH12 ARG A 659 32.653 84.252 -12.214 1.00 0.00 H ATOM 471 HH11 ARG A 659 31.201 85.285 -12.477 1.00 0.00 H ATOM 472 HH22 ARG A 659 34.314 84.943 -10.798 1.00 0.00 H ATOM 473 HH21 ARG A 659 34.173 86.523 -9.944 1.00 0.00 H ATOM 474 H ARG A 659 33.306 86.806 -6.360 1.00 0.00 H ATOM 475 N GLU A 660 30.594 87.333 -5.141 1.00 98.31 N ATOM 476 CA GLU A 660 29.237 86.919 -4.806 1.00 97.69 C ATOM 477 C GLU A 660 28.499 88.011 -4.038 1.00 93.59 C ATOM 478 O GLU A 660 27.318 88.261 -4.277 1.00 93.55 O ATOM 479 CB GLU A 660 29.258 85.625 -3.989 1.00101.13 C ATOM 480 CG GLU A 660 29.833 84.431 -4.733 1.00103.45 C ATOM 481 CD GLU A 660 29.771 83.153 -3.920 1.00107.49 C ATOM 482 OE1 GLU A 660 28.804 82.382 -4.093 1.00105.99 O ATOM 483 OE2 GLU A 660 30.690 82.919 -3.107 1.00109.01 O ATOM 484 H GLU A 660 31.396 86.779 -4.779 1.00 0.00 H ATOM 485 N PHE A 661 29.204 88.658 -3.116 1.00 93.18 N ATOM 486 CA PHE A 661 28.617 89.723 -2.313 1.00 94.58 C ATOM 487 C PHE A 661 28.034 90.814 -3.198 1.00 92.74 C ATOM 488 O PHE A 661 26.902 91.260 -2.990 1.00 90.16 O ATOM 489 CB PHE A 661 29.680 90.299 -1.383 1.00 94.05 C ATOM 490 CG PHE A 661 29.164 91.342 -0.438 1.00 92.68 C ATOM 491 CD1 PHE A 661 28.469 90.979 0.699 1.00 92.57 C ATOM 492 CD2 PHE A 661 29.397 92.683 -0.674 1.00 93.99 C ATOM 493 CE1 PHE A 661 28.005 91.935 1.575 1.00 91.82 C ATOM 494 CE2 PHE A 661 28.935 93.643 0.200 1.00 94.45 C ATOM 495 CZ PHE A 661 28.238 93.269 1.326 1.00 93.41 C ATOM 496 H PHE A 661 30.199 88.398 -2.964 1.00 0.00 H ATOM 497 N LEU A 662 28.788 91.242 -4.206 1.00 92.71 N ATOM 498 CA LEU A 662 28.335 92.325 -5.067 1.00 90.99 C ATOM 499 C LEU A 662 27.381 91.864 -6.155 1.00 84.96 C ATOM 500 O LEU A 662 26.649 92.694 -6.703 1.00 80.71 O ATOM 501 CB LEU A 662 29.532 93.027 -5.705 1.00 94.19 C ATOM 502 CG LEU A 662 30.517 93.637 -4.713 1.00 93.26 C ATOM 503 CD1 LEU A 662 31.570 94.425 -5.448 1.00 97.74 C ATOM 504 CD2 LEU A 662 29.774 94.513 -3.730 1.00 93.12 C ATOM 505 H LEU A 662 29.712 90.798 -4.381 1.00 0.00 H ATOM 506 N SER A 663 27.377 90.573 -6.488 1.00 87.17 N ATOM 507 CA SER A 663 26.441 90.084 -7.493 1.00 86.91 C ATOM 508 C SER A 663 25.000 90.378 -7.100 1.00 79.74 C ATOM 509 O SER A 663 24.163 90.640 -7.969 1.00 73.78 O ATOM 510 CB SER A 663 26.644 88.588 -7.715 1.00 88.76 C ATOM 511 OG SER A 663 26.517 87.882 -6.496 1.00 88.76 O ATOM 512 HG SER A 663 27.198 88.207 -5.855 1.00 0.00 H ATOM 513 H SER A 663 28.041 89.916 -6.031 1.00 0.00 H ATOM 514 N GLU A 664 24.699 90.354 -5.801 1.00 78.68 N ATOM 515 CA GLU A 664 23.367 90.727 -5.341 1.00 73.31 C ATOM 516 C GLU A 664 23.034 92.160 -5.728 1.00 70.86 C ATOM 517 O GLU A 664 21.924 92.445 -6.189 1.00 65.65 O ATOM 518 CB GLU A 664 23.271 90.543 -3.828 1.00 70.73 C ATOM 519 CG GLU A 664 21.985 91.058 -3.220 1.00 60.31 C ATOM 520 CD GLU A 664 21.930 90.849 -1.726 1.00 55.14 C ATOM 521 OE1 GLU A 664 22.991 90.617 -1.125 1.00 62.43 O ATOM 522 OE2 GLU A 664 20.832 90.909 -1.149 1.00 43.72 O ATOM 523 H GLU A 664 25.421 90.067 -5.110 1.00 0.00 H ATOM 524 N ALA A 665 23.990 93.075 -5.558 1.00 71.79 N ATOM 525 CA ALA A 665 23.750 94.470 -5.904 1.00 69.43 C ATOM 526 C ALA A 665 23.457 94.637 -7.384 1.00 66.92 C ATOM 527 O ALA A 665 22.657 95.496 -7.765 1.00 62.30 O ATOM 528 CB ALA A 665 24.948 95.321 -5.501 1.00 73.60 C ATOM 529 H ALA A 665 24.914 92.790 -5.175 1.00 0.00 H ATOM 530 N SER A 666 24.091 93.831 -8.230 1.00 69.30 N ATOM 531 CA SER A 666 23.788 93.885 -9.652 1.00 68.72 C ATOM 532 C SER A 666 22.364 93.431 -9.931 1.00 66.15 C ATOM 533 O SER A 666 21.729 93.923 -10.867 1.00 62.22 O ATOM 534 CB SER A 666 24.787 93.036 -10.430 1.00 71.59 C ATOM 535 OG SER A 666 24.445 92.989 -11.802 1.00 78.35 O ATOM 536 HG SER A 666 23.543 92.594 -11.903 1.00 0.00 H ATOM 537 H SER A 666 24.804 93.162 -7.875 1.00 0.00 H ATOM 538 N ILE A 667 21.846 92.501 -9.130 1.00 66.49 N ATOM 539 CA ILE A 667 20.457 92.084 -9.279 1.00 64.92 C ATOM 540 C ILE A 667 19.527 93.181 -8.786 1.00 57.99 C ATOM 541 O ILE A 667 18.562 93.548 -9.461 1.00 53.95 O ATOM 542 CB ILE A 667 20.202 90.746 -8.558 1.00 64.78 C ATOM 543 CG1 ILE A 667 20.609 89.545 -9.420 1.00 64.99 C ATOM 544 CG2 ILE A 667 18.736 90.610 -8.193 1.00 54.71 C ATOM 545 CD1 ILE A 667 22.018 89.557 -9.949 1.00 71.19 C ATOM 546 H ILE A 667 22.438 92.069 -8.392 1.00 0.00 H ATOM 547 N MET A 668 19.823 93.735 -7.612 1.00 57.82 N ATOM 548 CA MET A 668 18.952 94.733 -7.005 1.00 57.36 C ATOM 549 C MET A 668 18.851 95.996 -7.846 1.00 54.54 C ATOM 550 O MET A 668 17.806 96.653 -7.849 1.00 49.11 O ATOM 551 CB MET A 668 19.479 95.089 -5.620 1.00 57.30 C ATOM 552 CG MET A 668 19.549 93.925 -4.676 1.00 51.61 C ATOM 553 SD MET A 668 20.171 94.442 -3.085 1.00 41.55 S ATOM 554 CE MET A 668 18.823 95.463 -2.516 1.00 47.41 C ATOM 555 H MET A 668 20.693 93.450 -7.119 1.00 0.00 H ATOM 556 N GLY A 669 19.922 96.357 -8.550 1.00 57.36 N ATOM 557 CA GLY A 669 19.944 97.596 -9.304 1.00 56.79 C ATOM 558 C GLY A 669 18.992 97.627 -10.476 1.00 53.81 C ATOM 559 O GLY A 669 18.670 98.711 -10.968 1.00 48.45 O ATOM 560 H GLY A 669 20.758 95.739 -8.559 1.00 0.00 H ATOM 561 N GLN A 670 18.533 96.467 -10.936 1.00 52.93 N ATOM 562 CA GLN A 670 17.546 96.447 -12.005 1.00 54.35 C ATOM 563 C GLN A 670 16.177 96.918 -11.535 1.00 47.98 C ATOM 564 O GLN A 670 15.349 97.290 -12.367 1.00 43.86 O ATOM 565 CB GLN A 670 17.406 95.036 -12.565 1.00 56.87 C ATOM 566 CG GLN A 670 18.674 94.226 -12.550 1.00 61.99 C ATOM 567 CD GLN A 670 18.431 92.787 -12.941 1.00 70.09 C ATOM 568 OE1 GLN A 670 18.505 92.432 -14.115 1.00 78.35 O ATOM 569 NE2 GLN A 670 18.122 91.950 -11.958 1.00 64.44 N ATOM 570 HE22 GLN A 670 18.071 92.295 -10.978 1.00 0.00 H ATOM 571 HE21 GLN A 670 17.931 90.949 -12.168 1.00 0.00 H ATOM 572 H GLN A 670 18.880 95.574 -10.532 1.00 0.00 H ATOM 573 N PHE A 671 15.929 96.923 -10.232 1.00 45.01 N ATOM 574 CA PHE A 671 14.592 97.077 -9.682 1.00 44.39 C ATOM 575 C PHE A 671 14.363 98.520 -9.257 1.00 43.75 C ATOM 576 O PHE A 671 15.098 99.050 -8.423 1.00 47.08 O ATOM 577 CB PHE A 671 14.409 96.154 -8.481 1.00 43.30 C ATOM 578 CG PHE A 671 14.653 94.703 -8.783 1.00 42.54 C ATOM 579 CD1 PHE A 671 15.173 93.864 -7.819 1.00 42.69 C ATOM 580 CD2 PHE A 671 14.351 94.178 -10.023 1.00 42.82 C ATOM 581 CE1 PHE A 671 15.395 92.539 -8.089 1.00 38.73 C ATOM 582 CE2 PHE A 671 14.578 92.849 -10.292 1.00 42.81 C ATOM 583 CZ PHE A 671 15.101 92.036 -9.324 1.00 36.76 C ATOM 584 H PHE A 671 16.727 96.812 -9.574 1.00 0.00 H ATOM 585 N GLU A 672 13.338 99.143 -9.821 1.00 42.80 N ATOM 586 CA GLU A 672 12.928 100.489 -9.433 1.00 43.75 C ATOM 587 C GLU A 672 11.405 100.455 -9.396 1.00 38.88 C ATOM 588 O GLU A 672 10.759 100.470 -10.441 1.00 37.36 O ATOM 589 CB GLU A 672 13.433 101.520 -10.434 1.00 48.37 C ATOM 590 CG GLU A 672 13.655 102.906 -9.848 1.00 51.47 C ATOM 591 CD GLU A 672 13.668 104.002 -10.906 1.00 54.01 C ATOM 592 OE1 GLU A 672 13.112 105.089 -10.647 1.00 55.85 O ATOM 593 OE2 GLU A 672 14.220 103.773 -12.001 1.00 54.61 O ATOM 594 H GLU A 672 12.806 98.654 -10.569 1.00 0.00 H ATOM 595 N HIS A 673 10.841 100.385 -8.195 1.00 31.74 N ATOM 596 CA HIS A 673 9.403 100.250 -8.022 1.00 26.17 C ATOM 597 C HIS A 673 9.086 100.625 -6.589 1.00 25.76 C ATOM 598 O HIS A 673 9.896 100.365 -5.701 1.00 23.96 O ATOM 599 CB HIS A 673 8.980 98.795 -8.290 1.00 24.14 C ATOM 600 CG HIS A 673 7.499 98.571 -8.297 1.00 25.15 C ATOM 601 ND1 HIS A 673 6.758 98.433 -7.144 1.00 20.85 N ATOM 602 CD2 HIS A 673 6.630 98.416 -9.321 1.00 20.01 C ATOM 603 CE1 HIS A 673 5.492 98.244 -7.458 1.00 20.94 C ATOM 604 NE2 HIS A 673 5.390 98.216 -8.773 1.00 20.30 N ATOM 605 H HIS A 673 11.447 100.428 -7.351 1.00 0.00 H ATOM 606 N PRO A 674 7.933 101.246 -6.331 1.00 22.40 N ATOM 607 CA PRO A 674 7.627 101.687 -4.963 1.00 25.66 C ATOM 608 C PRO A 674 7.444 100.559 -3.978 1.00 30.82 C ATOM 609 O PRO A 674 7.470 100.808 -2.772 1.00 24.19 O ATOM 610 CB PRO A 674 6.329 102.475 -5.126 1.00 22.92 C ATOM 611 CG PRO A 674 5.774 102.018 -6.441 1.00 23.75 C ATOM 612 CD PRO A 674 6.962 101.774 -7.297 1.00 23.20 C ATOM 613 N ASN A 675 7.263 99.336 -4.449 1.00 23.83 N ATOM 614 CA ASN A 675 7.058 98.200 -3.562 1.00 25.59 C ATOM 615 C ASN A 675 8.195 97.195 -3.658 1.00 24.19 C ATOM 616 O ASN A 675 8.010 96.029 -3.331 1.00 20.01 O ATOM 617 CB ASN A 675 5.699 97.541 -3.821 1.00 22.16 C ATOM 618 CG ASN A 675 4.536 98.516 -3.635 1.00 28.03 C ATOM 619 OD1 ASN A 675 3.927 98.956 -4.602 1.00 26.77 O ATOM 620 ND2 ASN A 675 4.226 98.838 -2.391 1.00 19.68 N ATOM 621 HD22 ASN A 675 4.771 98.440 -1.600 1.00 0.00 H ATOM 622 HD21 ASN A 675 3.437 99.489 -2.204 1.00 0.00 H ATOM 623 H ASN A 675 7.267 99.182 -5.478 1.00 0.00 H ATOM 624 N ILE A 676 9.363 97.630 -4.105 1.00 21.54 N ATOM 625 CA ILE A 676 10.568 96.819 -4.084 1.00 23.88 C ATOM 626 C ILE A 676 11.645 97.609 -3.373 1.00 34.33 C ATOM 627 O ILE A 676 11.824 98.798 -3.649 1.00 38.99 O ATOM 628 CB ILE A 676 11.031 96.463 -5.502 1.00 27.59 C ATOM 629 CG1 ILE A 676 9.882 95.846 -6.268 1.00 29.85 C ATOM 630 CG2 ILE A 676 12.265 95.585 -5.462 1.00 28.10 C ATOM 631 CD1 ILE A 676 10.326 95.000 -7.358 1.00 42.20 C ATOM 632 H ILE A 676 9.420 98.595 -4.488 1.00 0.00 H ATOM 633 N ILE A 677 12.353 96.951 -2.455 1.00 30.19 N ATOM 634 CA ILE A 677 13.372 97.638 -1.678 1.00 35.21 C ATOM 635 C ILE A 677 14.344 98.331 -2.624 1.00 38.77 C ATOM 636 O ILE A 677 14.705 97.791 -3.671 1.00 32.11 O ATOM 637 CB ILE A 677 14.062 96.644 -0.728 1.00 33.35 C ATOM 638 CG1 ILE A 677 14.928 97.391 0.280 1.00 40.52 C ATOM 639 CG2 ILE A 677 14.850 95.614 -1.504 1.00 34.31 C ATOM 640 CD1 ILE A 677 14.129 98.236 1.241 1.00 40.24 C ATOM 641 H ILE A 677 12.175 95.939 -2.293 1.00 0.00 H ATOM 642 N ARG A 678 14.734 99.553 -2.276 1.00 41.51 N ATOM 643 CA ARG A 678 15.484 100.415 -3.181 1.00 48.97 C ATOM 644 C ARG A 678 16.959 100.402 -2.812 1.00 53.47 C ATOM 645 O ARG A 678 17.337 100.857 -1.730 1.00 53.01 O ATOM 646 CB ARG A 678 14.952 101.847 -3.153 1.00 54.43 C ATOM 647 CG ARG A 678 15.492 102.707 -4.281 1.00 59.82 C ATOM 648 CD ARG A 678 15.025 104.148 -4.183 1.00 64.25 C ATOM 649 NE ARG A 678 15.656 104.863 -3.079 1.00 70.67 N ATOM 650 CZ ARG A 678 15.056 105.141 -1.926 1.00 72.84 C ATOM 651 NH1 ARG A 678 13.800 104.770 -1.722 1.00 66.82 N ATOM 652 NH2 ARG A 678 15.710 105.798 -0.978 1.00 73.88 N ATOM 653 HE ARG A 678 16.640 105.176 -3.202 1.00 0.00 H ATOM 654 HH12 ARG A 678 13.333 104.989 -0.819 1.00 0.00 H ATOM 655 HH11 ARG A 678 13.281 104.260 -2.465 1.00 0.00 H ATOM 656 HH22 ARG A 678 15.239 106.015 -0.076 1.00 0.00 H ATOM 657 HH21 ARG A 678 16.694 106.096 -1.136 1.00 0.00 H ATOM 658 H ARG A 678 14.496 99.906 -1.327 1.00 0.00 H ATOM 659 N LEU A 679 17.783 99.894 -3.718 1.00 54.90 N ATOM 660 CA LEU A 679 19.224 99.972 -3.553 1.00 60.34 C ATOM 661 C LEU A 679 19.663 101.426 -3.614 1.00 65.22 C ATOM 662 O LEU A 679 19.359 102.138 -4.573 1.00 62.97 O ATOM 663 CB LEU A 679 19.889 99.200 -4.686 1.00 60.45 C ATOM 664 CG LEU A 679 21.410 99.264 -4.762 1.00 66.39 C ATOM 665 CD1 LEU A 679 22.026 98.414 -3.679 1.00 67.41 C ATOM 666 CD2 LEU A 679 21.889 98.813 -6.123 1.00 67.14 C ATOM 667 H LEU A 679 17.390 99.431 -4.562 1.00 0.00 H ATOM 668 N GLU A 680 20.368 101.876 -2.579 1.00 68.32 N ATOM 669 CA GLU A 680 20.961 103.205 -2.636 1.00 72.04 C ATOM 670 C GLU A 680 22.240 103.192 -3.459 1.00 77.28 C ATOM 671 O GLU A 680 22.430 104.036 -4.340 1.00 80.65 O ATOM 672 CB GLU A 680 21.230 103.734 -1.229 1.00 73.23 C ATOM 673 CG GLU A 680 20.024 104.374 -0.572 1.00 74.34 C ATOM 674 CD GLU A 680 19.415 105.474 -1.421 1.00 78.49 C ATOM 675 OE1 GLU A 680 18.171 105.549 -1.502 1.00 72.98 O ATOM 676 OE2 GLU A 680 20.181 106.262 -2.013 1.00 84.47 O ATOM 677 H GLU A 680 20.495 101.282 -1.735 1.00 0.00 H ATOM 678 N GLY A 681 23.117 102.233 -3.196 1.00 77.73 N ATOM 679 CA GLY A 681 24.355 102.136 -3.935 1.00 85.83 C ATOM 680 C GLY A 681 25.296 101.160 -3.261 1.00 87.44 C ATOM 681 O GLY A 681 24.917 100.439 -2.337 1.00 84.04 O ATOM 682 H GLY A 681 22.911 101.541 -2.447 1.00 0.00 H ATOM 683 N VAL A 682 26.534 101.154 -3.746 1.00 95.45 N ATOM 684 CA VAL A 682 27.562 100.256 -3.247 1.00 96.32 C ATOM 685 C VAL A 682 28.832 101.049 -2.986 1.00102.69 C ATOM 686 O VAL A 682 29.046 102.131 -3.535 1.00105.79 O ATOM 687 CB VAL A 682 27.861 99.107 -4.230 1.00 96.75 C ATOM 688 CG1 VAL A 682 26.609 98.319 -4.519 1.00 93.37 C ATOM 689 CG2 VAL A 682 28.452 99.655 -5.516 1.00103.34 C ATOM 690 H VAL A 682 26.776 101.816 -4.511 1.00 0.00 H ATOM 691 N VAL A 683 29.679 100.493 -2.127 1.00103.70 N ATOM 692 CA VAL A 683 31.062 100.926 -2.008 1.00107.89 C ATOM 693 C VAL A 683 31.946 99.731 -2.341 1.00108.26 C ATOM 694 O VAL A 683 31.843 98.671 -1.711 1.00106.85 O ATOM 695 CB VAL A 683 31.380 101.564 -0.641 1.00108.10 C ATOM 696 CG1 VAL A 683 30.297 102.556 -0.261 1.00108.34 C ATOM 697 CG2 VAL A 683 31.545 100.535 0.458 1.00108.33 C ATOM 698 H VAL A 683 29.341 99.721 -1.518 1.00 0.00 H ATOM 699 N THR A 684 32.749 99.874 -3.388 1.00111.62 N ATOM 700 CA THR A 684 33.678 98.837 -3.794 1.00114.45 C ATOM 701 C THR A 684 35.116 99.316 -3.781 1.00119.05 C ATOM 702 O THR A 684 36.028 98.491 -3.908 1.00120.28 O ATOM 703 CB THR A 684 33.334 98.321 -5.200 1.00112.33 C ATOM 704 OG1 THR A 684 33.634 99.333 -6.166 1.00114.23 O ATOM 705 CG2 THR A 684 31.858 97.991 -5.291 1.00108.95 C ATOM 706 HG1 THR A 684 33.099 100.143 -5.971 1.00 0.00 H ATOM 707 H THR A 684 32.711 100.758 -3.935 1.00 0.00 H ATOM 708 N ASN A 685 35.342 100.618 -3.624 1.00119.09 N ATOM 709 CA ASN A 685 36.678 101.188 -3.597 1.00119.38 C ATOM 710 C ASN A 685 37.030 101.575 -2.170 1.00121.01 C ATOM 711 O ASN A 685 37.509 102.688 -1.932 1.00122.67 O ATOM 712 CB ASN A 685 36.714 102.446 -4.462 1.00119.66 C ATOM 713 CG ASN A 685 36.266 102.188 -5.882 1.00119.03 C ATOM 714 OD1 ASN A 685 36.211 101.045 -6.332 1.00119.04 O ATOM 715 ND2 ASN A 685 35.931 103.255 -6.596 1.00121.33 N ATOM 716 HD22 ASN A 685 35.993 104.204 -6.174 1.00 0.00 H ATOM 717 HD21 ASN A 685 35.606 103.143 -7.578 1.00 0.00 H ATOM 718 H ASN A 685 34.527 101.255 -3.516 1.00 0.00 H ATOM 719 N SER A 686 36.780 100.688 -1.214 1.00120.56 N ATOM 720 CA SER A 686 37.021 100.993 0.193 1.00122.72 C ATOM 721 C SER A 686 36.971 99.693 0.982 1.00122.45 C ATOM 722 O SER A 686 36.762 98.609 0.428 1.00121.06 O ATOM 723 CB SER A 686 35.999 101.996 0.732 1.00123.35 C ATOM 724 OG SER A 686 36.062 103.229 0.037 1.00124.39 O ATOM 725 HG SER A 686 35.874 103.075 -0.923 1.00 0.00 H ATOM 726 H SER A 686 36.404 99.754 -1.474 1.00 0.00 H ATOM 727 N MET A 687 37.177 99.815 2.288 1.00124.72 N ATOM 728 CA MET A 687 36.991 98.709 3.215 1.00126.97 C ATOM 729 C MET A 687 36.272 99.253 4.449 1.00126.29 C ATOM 730 O MET A 687 36.740 100.214 5.062 1.00125.94 O ATOM 731 CB MET A 687 38.331 98.087 3.601 1.00133.05 C ATOM 732 CG MET A 687 38.975 97.260 2.496 1.00138.06 C ATOM 733 SD MET A 687 40.564 96.568 2.989 1.00167.08 S ATOM 734 CE MET A 687 40.065 95.529 4.358 1.00138.60 C ATOM 735 H MET A 687 37.483 100.736 2.662 1.00 0.00 H ATOM 736 N PRO A 688 35.129 98.650 4.813 1.00123.15 N ATOM 737 CA PRO A 688 34.533 97.447 4.223 1.00118.87 C ATOM 738 C PRO A 688 33.791 97.688 2.906 1.00115.08 C ATOM 739 O PRO A 688 33.411 98.819 2.607 1.00114.52 O ATOM 740 CB PRO A 688 33.539 96.981 5.292 1.00113.55 C ATOM 741 CG PRO A 688 33.507 98.064 6.350 1.00115.23 C ATOM 742 CD PRO A 688 34.242 99.245 5.816 1.00119.22 C ATOM 743 N VAL A 689 33.604 96.628 2.122 1.00111.42 N ATOM 744 CA VAL A 689 32.766 96.682 0.931 1.00107.49 C ATOM 745 C VAL A 689 31.314 96.565 1.366 1.00103.00 C ATOM 746 O VAL A 689 30.978 95.750 2.232 1.00101.58 O ATOM 747 CB VAL A 689 33.158 95.561 -0.046 1.00105.45 C ATOM 748 CG1 VAL A 689 32.081 95.371 -1.097 1.00103.96 C ATOM 749 CG2 VAL A 689 34.487 95.873 -0.702 1.00109.35 C ATOM 750 H VAL A 689 34.071 95.732 2.368 1.00 0.00 H ATOM 751 N MET A 690 30.443 97.383 0.781 1.00102.26 N ATOM 752 CA MET A 690 29.105 97.535 1.326 1.00 97.88 C ATOM 753 C MET A 690 28.052 97.611 0.233 1.00 92.77 C ATOM 754 O MET A 690 28.310 98.077 -0.878 1.00 93.27 O ATOM 755 CB MET A 690 29.013 98.778 2.210 1.00 98.76 C ATOM 756 CG MET A 690 29.878 98.695 3.447 1.00101.44 C ATOM 757 SD MET A 690 30.649 100.265 3.830 1.00101.46 S ATOM 758 CE MET A 690 29.234 101.174 4.392 1.00102.79 C ATOM 759 H MET A 690 30.721 97.915 -0.068 1.00 0.00 H ATOM 760 N ILE A 691 26.856 97.140 0.577 1.00 88.05 N ATOM 761 CA ILE A 691 25.650 97.313 -0.220 1.00 84.55 C ATOM 762 C ILE A 691 24.679 98.132 0.612 1.00 80.39 C ATOM 763 O ILE A 691 24.427 97.804 1.776 1.00 78.80 O ATOM 764 CB ILE A 691 25.020 95.960 -0.583 1.00 81.83 C ATOM 765 CG1 ILE A 691 26.034 95.069 -1.288 1.00 84.89 C ATOM 766 CG2 ILE A 691 23.802 96.164 -1.455 1.00 77.46 C ATOM 767 CD1 ILE A 691 25.478 93.724 -1.660 1.00 81.94 C ATOM 768 H ILE A 691 26.778 96.615 1.472 1.00 0.00 H ATOM 769 N LEU A 692 24.136 99.189 0.025 1.00 78.72 N ATOM 770 CA LEU A 692 23.283 100.118 0.747 1.00 76.92 C ATOM 771 C LEU A 692 21.891 100.139 0.145 1.00 69.85 C ATOM 772 O LEU A 692 21.731 100.193 -1.076 1.00 67.41 O ATOM 773 CB LEU A 692 23.849 101.535 0.710 1.00 78.71 C ATOM 774 CG LEU A 692 24.876 101.897 1.777 1.00 82.31 C ATOM 775 CD1 LEU A 692 26.193 101.189 1.527 1.00 89.17 C ATOM 776 CD2 LEU A 692 25.069 103.399 1.819 1.00 92.21 C ATOM 777 H LEU A 692 24.326 99.359 -0.983 1.00 0.00 H ATOM 778 N THR A 693 20.887 100.099 1.011 1.00 65.04 N ATOM 779 CA THR A 693 19.511 100.331 0.620 1.00 63.75 C ATOM 780 C THR A 693 18.915 101.359 1.563 1.00 62.67 C ATOM 781 O THR A 693 19.500 101.702 2.591 1.00 62.68 O ATOM 782 CB THR A 693 18.666 99.057 0.710 1.00 57.74 C ATOM 783 OG1 THR A 693 18.308 98.827 2.076 1.00 51.02 O ATOM 784 CG2 THR A 693 19.429 97.872 0.179 1.00 55.66 C ATOM 785 HG1 THR A 693 17.786 99.598 2.413 1.00 0.00 H ATOM 786 H THR A 693 21.095 99.893 2.009 1.00 0.00 H ATOM 787 N GLU A 694 17.735 101.844 1.198 1.00 59.08 N ATOM 788 CA GLU A 694 16.942 102.643 2.113 1.00 60.59 C ATOM 789 C GLU A 694 16.675 101.848 3.382 1.00 58.16 C ATOM 790 O GLU A 694 16.627 100.617 3.369 1.00 52.81 O ATOM 791 CB GLU A 694 15.608 102.977 1.461 1.00 61.50 C ATOM 792 CG GLU A 694 14.989 101.779 0.775 1.00 57.58 C ATOM 793 CD GLU A 694 13.580 102.027 0.308 1.00 50.52 C ATOM 794 OE1 GLU A 694 12.955 102.994 0.790 1.00 50.34 O ATOM 795 OE2 GLU A 694 13.107 101.259 -0.550 1.00 39.95 O ATOM 796 H GLU A 694 17.374 101.649 0.243 1.00 0.00 H ATOM 797 N PHE A 695 16.504 102.561 4.485 1.00 58.88 N ATOM 798 CA PHE A 695 16.224 101.940 5.768 1.00 59.45 C ATOM 799 C PHE A 695 14.733 102.008 6.043 1.00 56.59 C ATOM 800 O PHE A 695 14.122 103.073 5.926 1.00 53.08 O ATOM 801 CB PHE A 695 16.985 102.623 6.898 1.00 63.61 C ATOM 802 CG PHE A 695 16.760 101.990 8.232 1.00 63.67 C ATOM 803 CD1 PHE A 695 15.839 102.508 9.114 1.00 63.64 C ATOM 804 CD2 PHE A 695 17.457 100.857 8.593 1.00 63.68 C ATOM 805 CE1 PHE A 695 15.632 101.918 10.338 1.00 63.25 C ATOM 806 CE2 PHE A 695 17.251 100.265 9.813 1.00 64.30 C ATOM 807 CZ PHE A 695 16.338 100.795 10.685 1.00 63.44 C ATOM 808 H PHE A 695 16.572 103.597 4.431 1.00 0.00 H ATOM 809 N MET A 696 14.161 100.879 6.420 1.00 49.92 N ATOM 810 CA MET A 696 12.729 100.757 6.627 1.00 46.12 C ATOM 811 C MET A 696 12.481 100.666 8.123 1.00 44.81 C ATOM 812 O MET A 696 12.870 99.690 8.768 1.00 39.25 O ATOM 813 CB MET A 696 12.228 99.530 5.883 1.00 38.60 C ATOM 814 CG MET A 696 12.571 99.589 4.420 1.00 40.70 C ATOM 815 SD MET A 696 11.572 100.805 3.558 1.00 38.84 S ATOM 816 CE MET A 696 10.048 99.883 3.492 1.00 38.32 C ATOM 817 H MET A 696 14.760 100.043 6.575 1.00 0.00 H ATOM 818 N GLU A 697 11.836 101.696 8.670 1.00 47.10 N ATOM 819 CA GLU A 697 11.794 101.871 10.116 1.00 48.77 C ATOM 820 C GLU A 697 10.984 100.784 10.799 1.00 41.61 C ATOM 821 O GLU A 697 11.311 100.385 11.917 1.00 40.02 O ATOM 822 CB GLU A 697 11.216 103.243 10.458 1.00 54.88 C ATOM 823 CG GLU A 697 12.066 104.410 9.993 1.00 63.93 C ATOM 824 CD GLU A 697 11.542 105.747 10.489 1.00 81.62 C ATOM 825 OE1 GLU A 697 10.395 105.793 10.982 1.00 67.96 O ATOM 826 OE2 GLU A 697 12.278 106.751 10.389 1.00 87.48 O ATOM 827 H GLU A 697 11.356 102.385 8.056 1.00 0.00 H ATOM 828 N ASN A 698 9.935 100.296 10.159 1.00 35.41 N ATOM 829 CA ASN A 698 9.069 99.320 10.800 1.00 33.34 C ATOM 830 C ASN A 698 9.557 97.882 10.650 1.00 30.12 C ATOM 831 O ASN A 698 8.944 96.979 11.219 1.00 31.15 O ATOM 832 CB ASN A 698 7.632 99.491 10.314 1.00 27.18 C ATOM 833 CG ASN A 698 6.943 100.685 10.951 1.00 29.54 C ATOM 834 OD1 ASN A 698 7.134 100.960 12.122 1.00 31.99 O ATOM 835 ND2 ASN A 698 6.137 101.391 10.178 1.00 28.78 N ATOM 836 HD22 ASN A 698 6.003 101.121 9.183 1.00 0.00 H ATOM 837 HD21 ASN A 698 5.637 102.217 10.565 1.00 0.00 H ATOM 838 H ASN A 698 9.728 100.613 9.190 1.00 0.00 H ATOM 839 N GLY A 699 10.641 97.653 9.929 1.00 27.96 N ATOM 840 CA GLY A 699 11.251 96.341 9.908 1.00 29.18 C ATOM 841 C GLY A 699 10.453 95.342 9.090 1.00 32.94 C ATOM 842 O GLY A 699 9.672 95.697 8.222 1.00 26.00 O ATOM 843 H GLY A 699 11.060 98.424 9.371 1.00 0.00 H ATOM 844 N ALA A 700 10.670 94.065 9.387 1.00 24.87 N ATOM 845 CA ALA A 700 10.006 93.012 8.632 1.00 21.60 C ATOM 846 C ALA A 700 8.523 92.956 8.968 1.00 22.86 C ATOM 847 O ALA A 700 8.108 93.200 10.098 1.00 23.61 O ATOM 848 CB ALA A 700 10.654 91.655 8.914 1.00 24.90 C ATOM 849 H ALA A 700 11.317 93.817 10.162 1.00 0.00 H ATOM 850 N LEU A 701 7.731 92.607 7.954 1.00 20.60 N ATOM 851 CA LEU A 701 6.283 92.678 8.055 1.00 17.15 C ATOM 852 C LEU A 701 5.745 91.687 9.074 1.00 21.39 C ATOM 853 O LEU A 701 4.799 91.987 9.803 1.00 17.57 O ATOM 854 CB LEU A 701 5.685 92.377 6.687 1.00 19.00 C ATOM 855 CG LEU A 701 4.170 92.311 6.583 1.00 19.01 C ATOM 856 CD1 LEU A 701 3.554 93.642 6.953 1.00 15.90 C ATOM 857 CD2 LEU A 701 3.813 91.956 5.175 1.00 20.36 C ATOM 858 H LEU A 701 8.161 92.275 7.067 1.00 0.00 H ATOM 859 N ASP A 702 6.314 90.484 9.129 1.00 17.88 N ATOM 860 CA ASP A 702 5.736 89.508 10.040 1.00 19.36 C ATOM 861 C ASP A 702 5.870 89.956 11.490 1.00 18.58 C ATOM 862 O ASP A 702 4.905 89.910 12.250 1.00 19.03 O ATOM 863 CB ASP A 702 6.315 88.110 9.813 1.00 19.60 C ATOM 864 CG ASP A 702 7.788 88.023 10.148 1.00 27.52 C ATOM 865 OD1 ASP A 702 8.538 88.972 9.864 1.00 23.15 O ATOM 866 OD2 ASP A 702 8.200 86.987 10.690 1.00 28.29 O ATOM 867 H ASP A 702 7.141 90.251 8.543 1.00 0.00 H ATOM 868 N SER A 703 7.055 90.416 11.883 1.00 15.22 N ATOM 869 CA SER A 703 7.211 90.857 13.261 1.00 17.22 C ATOM 870 C SER A 703 6.466 92.163 13.517 1.00 23.97 C ATOM 871 O SER A 703 5.980 92.391 14.623 1.00 20.08 O ATOM 872 CB SER A 703 8.683 91.026 13.607 1.00 23.05 C ATOM 873 OG SER A 703 9.353 91.760 12.610 1.00 30.71 O ATOM 874 HG SER A 703 8.940 92.656 12.528 1.00 0.00 H ATOM 875 H SER A 703 7.854 90.460 11.219 1.00 0.00 H ATOM 876 N PHE A 704 6.385 93.027 12.512 1.00 19.70 N ATOM 877 CA PHE A 704 5.610 94.250 12.654 1.00 18.48 C ATOM 878 C PHE A 704 4.145 93.945 12.917 1.00 21.81 C ATOM 879 O PHE A 704 3.510 94.584 13.758 1.00 21.38 O ATOM 880 CB PHE A 704 5.747 95.090 11.381 1.00 20.25 C ATOM 881 CG PHE A 704 5.001 96.387 11.426 1.00 21.22 C ATOM 882 CD1 PHE A 704 5.451 97.410 12.225 1.00 23.69 C ATOM 883 CD2 PHE A 704 3.884 96.593 10.644 1.00 18.80 C ATOM 884 CE1 PHE A 704 4.783 98.601 12.270 1.00 21.61 C ATOM 885 CE2 PHE A 704 3.207 97.797 10.693 1.00 19.93 C ATOM 886 CZ PHE A 704 3.684 98.798 11.512 1.00 18.58 C ATOM 887 H PHE A 704 6.878 92.828 11.618 1.00 0.00 H ATOM 888 N LEU A 705 3.582 92.978 12.198 1.00 18.75 N ATOM 889 CA LEU A 705 2.175 92.681 12.419 1.00 19.52 C ATOM 890 C LEU A 705 1.956 92.010 13.767 1.00 20.40 C ATOM 891 O LEU A 705 0.948 92.259 14.426 1.00 20.25 O ATOM 892 CB LEU A 705 1.620 91.834 11.283 1.00 26.63 C ATOM 893 CG LEU A 705 1.517 92.543 9.940 1.00 23.24 C ATOM 894 CD1 LEU A 705 0.984 91.606 8.899 1.00 16.81 C ATOM 895 CD2 LEU A 705 0.598 93.756 10.072 1.00 18.88 C ATOM 896 H LEU A 705 4.134 92.447 11.495 1.00 0.00 H ATOM 897 N ARG A 706 2.884 91.150 14.189 1.00 18.51 N ATOM 898 CA ARG A 706 2.728 90.527 15.501 1.00 20.22 C ATOM 899 C ARG A 706 2.751 91.573 16.598 1.00 23.66 C ATOM 900 O ARG A 706 2.049 91.450 17.606 1.00 21.55 O ATOM 901 CB ARG A 706 3.845 89.514 15.737 1.00 23.17 C ATOM 902 CG ARG A 706 3.671 88.263 14.928 1.00 22.83 C ATOM 903 CD ARG A 706 4.578 87.129 15.406 1.00 21.39 C ATOM 904 NE ARG A 706 5.985 87.362 15.140 1.00 23.07 N ATOM 905 CZ ARG A 706 6.594 87.058 14.000 1.00 24.85 C ATOM 906 NH1 ARG A 706 5.915 86.515 13.004 1.00 24.46 N ATOM 907 NH2 ARG A 706 7.886 87.291 13.854 1.00 19.26 N ATOM 908 HE ARG A 706 6.555 87.797 15.893 1.00 0.00 H ATOM 909 HH12 ARG A 706 6.398 86.279 12.113 1.00 0.00 H ATOM 910 HH11 ARG A 706 4.898 86.324 13.111 1.00 0.00 H ATOM 911 HH22 ARG A 706 8.360 87.052 12.960 1.00 0.00 H ATOM 912 HH21 ARG A 706 8.429 87.714 14.633 1.00 0.00 H ATOM 913 H ARG A 706 3.706 90.926 13.593 1.00 0.00 H ATOM 914 N LEU A 707 3.587 92.586 16.427 1.00 21.38 N ATOM 915 CA LEU A 707 3.636 93.674 17.387 1.00 23.65 C ATOM 916 C LEU A 707 2.342 94.474 17.379 1.00 23.89 C ATOM 917 O LEU A 707 1.969 95.054 18.399 1.00 25.67 O ATOM 918 CB LEU A 707 4.821 94.576 17.052 1.00 26.10 C ATOM 919 CG LEU A 707 5.184 95.660 18.048 1.00 30.10 C ATOM 920 CD1 LEU A 707 5.559 95.040 19.362 1.00 28.94 C ATOM 921 CD2 LEU A 707 6.314 96.496 17.494 1.00 32.26 C ATOM 922 H LEU A 707 4.214 92.602 15.597 1.00 0.00 H ATOM 923 N ASN A 708 1.643 94.498 16.252 1.00 24.11 N ATOM 924 CA ASN A 708 0.416 95.265 16.082 1.00 22.04 C ATOM 925 C ASN A 708 -0.815 94.377 15.915 1.00 22.26 C ATOM 926 O ASN A 708 -1.757 94.718 15.209 1.00 22.79 O ATOM 927 CB ASN A 708 0.555 96.263 14.936 1.00 20.30 C ATOM 928 CG ASN A 708 1.548 97.377 15.266 1.00 19.09 C ATOM 929 OD1 ASN A 708 1.237 98.252 16.053 1.00 23.22 O ATOM 930 ND2 ASN A 708 2.750 97.303 14.712 1.00 16.14 N ATOM 931 HD22 ASN A 708 2.969 96.536 14.045 1.00 0.00 H ATOM 932 HD21 ASN A 708 3.474 98.012 14.945 1.00 0.00 H ATOM 933 H ASN A 708 1.989 93.939 15.446 1.00 0.00 H ATOM 934 N ASP A 709 -0.826 93.243 16.607 1.00 23.82 N ATOM 935 CA ASP A 709 -1.897 92.271 16.448 1.00 23.91 C ATOM 936 C ASP A 709 -3.245 92.932 16.693 1.00 22.27 C ATOM 937 O ASP A 709 -3.449 93.560 17.727 1.00 22.75 O ATOM 938 CB ASP A 709 -1.669 91.136 17.447 1.00 25.33 C ATOM 939 CG ASP A 709 -2.622 89.965 17.250 1.00 29.15 C ATOM 940 OD1 ASP A 709 -3.313 89.903 16.226 1.00 32.77 O ATOM 941 OD2 ASP A 709 -2.669 89.103 18.139 1.00 44.55 O ATOM 942 H ASP A 709 -0.054 93.046 17.275 1.00 0.00 H ATOM 943 N GLY A 710 -4.148 92.805 15.730 1.00 20.75 N ATOM 944 CA GLY A 710 -5.511 93.260 15.879 1.00 20.58 C ATOM 945 C GLY A 710 -5.682 94.759 15.782 1.00 24.23 C ATOM 946 O GLY A 710 -6.777 95.264 16.041 1.00 21.24 O ATOM 947 H GLY A 710 -3.864 92.361 14.833 1.00 0.00 H ATOM 948 N GLN A 711 -4.643 95.474 15.383 1.00 21.43 N ATOM 949 CA GLN A 711 -4.605 96.927 15.502 1.00 23.16 C ATOM 950 C GLN A 711 -4.657 97.666 14.171 1.00 30.68 C ATOM 951 O GLN A 711 -4.642 98.902 14.161 1.00 24.57 O ATOM 952 CB GLN A 711 -3.371 97.335 16.303 1.00 20.15 C ATOM 953 CG GLN A 711 -3.411 96.840 17.721 1.00 19.09 C ATOM 954 CD GLN A 711 -2.052 96.839 18.369 1.00 28.68 C ATOM 955 OE1 GLN A 711 -1.374 97.844 18.373 1.00 20.40 O ATOM 956 NE2 GLN A 711 -1.633 95.682 18.889 1.00 25.13 N ATOM 957 HE22 GLN A 711 -2.251 94.846 18.862 1.00 0.00 H ATOM 958 HE21 GLN A 711 -0.689 95.617 19.321 1.00 0.00 H ATOM 959 H GLN A 711 -3.825 94.983 14.970 1.00 0.00 H ATOM 960 N PHE A 712 -4.723 96.954 13.058 1.00 25.99 N ATOM 961 CA PHE A 712 -4.930 97.544 11.748 1.00 23.74 C ATOM 962 C PHE A 712 -6.251 97.043 11.178 1.00 22.48 C ATOM 963 O PHE A 712 -6.654 95.907 11.434 1.00 24.87 O ATOM 964 CB PHE A 712 -3.774 97.190 10.812 1.00 20.88 C ATOM 965 CG PHE A 712 -2.447 97.714 11.272 1.00 24.58 C ATOM 966 CD1 PHE A 712 -1.320 96.910 11.270 1.00 23.15 C ATOM 967 CD2 PHE A 712 -2.325 99.017 11.704 1.00 24.22 C ATOM 968 CE1 PHE A 712 -0.121 97.388 11.678 1.00 17.50 C ATOM 969 CE2 PHE A 712 -1.132 99.495 12.124 1.00 23.34 C ATOM 970 CZ PHE A 712 -0.020 98.693 12.109 1.00 23.97 C ATOM 971 H PHE A 712 -4.622 95.921 13.125 1.00 0.00 H ATOM 972 N THR A 713 -6.939 97.899 10.428 1.00 18.72 N ATOM 973 CA THR A 713 -8.215 97.498 9.874 1.00 23.48 C ATOM 974 C THR A 713 -7.996 96.606 8.663 1.00 23.56 C ATOM 975 O THR A 713 -6.917 96.569 8.087 1.00 19.21 O ATOM 976 CB THR A 713 -9.002 98.703 9.382 1.00 28.61 C ATOM 977 OG1 THR A 713 -8.263 99.340 8.338 1.00 30.32 O ATOM 978 CG2 THR A 713 -9.290 99.670 10.523 1.00 26.37 C ATOM 979 HG1 THR A 713 -8.767 100.126 8.011 1.00 0.00 H ATOM 980 H THR A 713 -6.563 98.850 10.241 1.00 0.00 H ATOM 981 N VAL A 714 -9.062 95.907 8.269 1.00 24.01 N ATOM 982 CA VAL A 714 -9.001 95.084 7.061 1.00 23.48 C ATOM 983 C VAL A 714 -8.563 95.917 5.864 1.00 23.06 C ATOM 984 O VAL A 714 -7.720 95.500 5.073 1.00 21.88 O ATOM 985 CB VAL A 714 -10.350 94.388 6.816 1.00 27.38 C ATOM 986 CG1 VAL A 714 -10.458 93.941 5.372 1.00 27.33 C ATOM 987 CG2 VAL A 714 -10.492 93.204 7.728 1.00 26.46 C ATOM 988 H VAL A 714 -9.941 95.947 8.824 1.00 0.00 H ATOM 989 N ILE A 715 -9.115 97.119 5.717 1.00 23.84 N ATOM 990 CA ILE A 715 -8.737 97.936 4.572 1.00 22.68 C ATOM 991 C ILE A 715 -7.244 98.257 4.587 1.00 23.37 C ATOM 992 O ILE A 715 -6.598 98.302 3.538 1.00 23.15 O ATOM 993 CB ILE A 715 -9.620 99.195 4.478 1.00 26.73 C ATOM 994 CG1 ILE A 715 -10.869 98.870 3.677 1.00 33.80 C ATOM 995 CG2 ILE A 715 -8.871 100.330 3.829 1.00 32.78 C ATOM 996 CD1 ILE A 715 -10.572 98.529 2.243 1.00 36.56 C ATOM 997 H ILE A 715 -9.807 97.470 6.410 1.00 0.00 H ATOM 998 N GLN A 716 -6.676 98.498 5.766 1.00 19.39 N ATOM 999 CA GLN A 716 -5.242 98.733 5.825 1.00 19.96 C ATOM 1000 C GLN A 716 -4.478 97.481 5.435 1.00 20.45 C ATOM 1001 O GLN A 716 -3.480 97.559 4.733 1.00 18.90 O ATOM 1002 CB GLN A 716 -4.815 99.167 7.219 1.00 20.69 C ATOM 1003 CG GLN A 716 -5.193 100.596 7.564 1.00 22.41 C ATOM 1004 CD GLN A 716 -4.753 100.943 8.957 1.00 23.49 C ATOM 1005 OE1 GLN A 716 -5.259 100.389 9.909 1.00 25.37 O ATOM 1006 NE2 GLN A 716 -3.792 101.857 9.079 1.00 22.87 N ATOM 1007 HE22 GLN A 716 -3.389 102.304 8.231 1.00 0.00 H ATOM 1008 HE21 GLN A 716 -3.444 102.123 10.022 1.00 0.00 H ATOM 1009 H GLN A 716 -7.250 98.518 6.633 1.00 0.00 H ATOM 1010 N LEU A 717 -4.935 96.324 5.900 1.00 20.89 N ATOM 1011 CA LEU A 717 -4.210 95.099 5.579 1.00 18.76 C ATOM 1012 C LEU A 717 -4.256 94.832 4.087 1.00 19.21 C ATOM 1013 O LEU A 717 -3.263 94.425 3.488 1.00 19.10 O ATOM 1014 CB LEU A 717 -4.819 93.938 6.363 1.00 20.10 C ATOM 1015 CG LEU A 717 -4.684 94.069 7.880 1.00 17.16 C ATOM 1016 CD1 LEU A 717 -5.435 92.984 8.616 1.00 17.72 C ATOM 1017 CD2 LEU A 717 -3.233 94.068 8.329 1.00 14.64 C ATOM 1018 H LEU A 717 -5.795 96.292 6.483 1.00 0.00 H ATOM 1019 N VAL A 718 -5.406 95.079 3.473 1.00 19.24 N ATOM 1020 CA VAL A 718 -5.535 94.903 2.029 1.00 21.29 C ATOM 1021 C VAL A 718 -4.608 95.847 1.283 1.00 20.95 C ATOM 1022 O VAL A 718 -4.035 95.494 0.254 1.00 17.02 O ATOM 1023 CB VAL A 718 -7.006 95.092 1.613 1.00 24.07 C ATOM 1024 CG1 VAL A 718 -7.149 95.155 0.106 1.00 23.91 C ATOM 1025 CG2 VAL A 718 -7.838 93.973 2.169 1.00 24.82 C ATOM 1026 H VAL A 718 -6.225 95.402 4.027 1.00 0.00 H ATOM 1027 N GLY A 719 -4.483 97.082 1.760 1.00 20.71 N ATOM 1028 CA GLY A 719 -3.544 97.983 1.131 1.00 21.11 C ATOM 1029 C GLY A 719 -2.117 97.479 1.219 1.00 24.42 C ATOM 1030 O GLY A 719 -1.339 97.630 0.286 1.00 20.26 O ATOM 1031 H GLY A 719 -5.052 97.395 2.573 1.00 0.00 H ATOM 1032 N MET A 720 -1.756 96.867 2.343 1.00 20.54 N ATOM 1033 CA MET A 720 -0.440 96.250 2.415 1.00 19.36 C ATOM 1034 C MET A 720 -0.295 95.163 1.367 1.00 23.58 C ATOM 1035 O MET A 720 0.716 95.093 0.661 1.00 22.22 O ATOM 1036 CB MET A 720 -0.198 95.681 3.801 1.00 18.79 C ATOM 1037 CG MET A 720 -0.213 96.734 4.862 1.00 23.64 C ATOM 1038 SD MET A 720 0.078 95.922 6.430 1.00 27.47 S ATOM 1039 CE MET A 720 0.004 97.323 7.534 1.00 24.59 C ATOM 1040 H MET A 720 -2.403 96.830 3.156 1.00 0.00 H ATOM 1041 N LEU A 721 -1.299 94.301 1.267 1.00 22.01 N ATOM 1042 CA LEU A 721 -1.222 93.192 0.325 1.00 18.38 C ATOM 1043 C LEU A 721 -1.211 93.698 -1.098 1.00 20.62 C ATOM 1044 O LEU A 721 -0.579 93.102 -1.965 1.00 15.57 O ATOM 1045 CB LEU A 721 -2.414 92.257 0.506 1.00 14.78 C ATOM 1046 CG LEU A 721 -2.345 91.549 1.837 1.00 15.86 C ATOM 1047 CD1 LEU A 721 -3.602 90.753 2.142 1.00 15.71 C ATOM 1048 CD2 LEU A 721 -1.164 90.604 1.788 1.00 17.45 C ATOM 1049 H LEU A 721 -2.143 94.417 1.863 1.00 0.00 H ATOM 1050 N ARG A 722 -1.952 94.774 -1.361 1.00 17.70 N ATOM 1051 CA ARG A 722 -1.962 95.326 -2.708 1.00 18.65 C ATOM 1052 C ARG A 722 -0.587 95.845 -3.086 1.00 19.18 C ATOM 1053 O ARG A 722 -0.158 95.707 -4.234 1.00 19.64 O ATOM 1054 CB ARG A 722 -2.996 96.454 -2.806 1.00 18.61 C ATOM 1055 CG ARG A 722 -3.325 96.877 -4.216 1.00 18.86 C ATOM 1056 CD ARG A 722 -2.491 98.049 -4.735 1.00 19.88 C ATOM 1057 NE ARG A 722 -2.954 98.388 -6.068 1.00 21.95 N ATOM 1058 CZ ARG A 722 -2.219 98.931 -7.016 1.00 18.26 C ATOM 1059 NH1 ARG A 722 -0.959 99.224 -6.784 1.00 18.03 N ATOM 1060 NH2 ARG A 722 -2.756 99.149 -8.211 1.00 19.03 N ATOM 1061 HE ARG A 722 -3.949 98.185 -6.293 1.00 0.00 H ATOM 1062 HH12 ARG A 722 -0.378 99.653 -7.533 1.00 0.00 H ATOM 1063 HH11 ARG A 722 -0.542 99.027 -5.852 1.00 0.00 H ATOM 1064 HH22 ARG A 722 -2.185 99.577 -8.967 1.00 0.00 H ATOM 1065 HH21 ARG A 722 -3.747 98.891 -8.390 1.00 0.00 H ATOM 1066 H ARG A 722 -2.519 95.216 -0.609 1.00 0.00 H ATOM 1067 N GLY A 723 0.112 96.467 -2.134 1.00 19.37 N ATOM 1068 CA GLY A 723 1.464 96.906 -2.406 1.00 16.95 C ATOM 1069 C GLY A 723 2.392 95.739 -2.666 1.00 17.59 C ATOM 1070 O GLY A 723 3.167 95.742 -3.613 1.00 18.33 O ATOM 1071 H GLY A 723 -0.313 96.636 -1.200 1.00 0.00 H ATOM 1072 N ILE A 724 2.307 94.716 -1.829 1.00 14.84 N ATOM 1073 CA ILE A 724 3.152 93.554 -2.069 1.00 17.46 C ATOM 1074 C ILE A 724 2.855 92.946 -3.434 1.00 19.15 C ATOM 1075 O ILE A 724 3.767 92.564 -4.166 1.00 16.62 O ATOM 1076 CB ILE A 724 2.970 92.531 -0.943 1.00 18.49 C ATOM 1077 CG1 ILE A 724 3.351 93.174 0.378 1.00 20.37 C ATOM 1078 CG2 ILE A 724 3.819 91.281 -1.260 1.00 16.10 C ATOM 1079 CD1 ILE A 724 2.824 92.467 1.588 1.00 21.02 C ATOM 1080 H ILE A 724 1.653 94.742 -1.021 1.00 0.00 H ATOM 1081 N ALA A 725 1.569 92.832 -3.785 1.00 19.73 N ATOM 1082 CA ALA A 725 1.212 92.272 -5.083 1.00 21.76 C ATOM 1083 C ALA A 725 1.751 93.127 -6.214 1.00 24.91 C ATOM 1084 O ALA A 725 2.167 92.610 -7.250 1.00 22.60 O ATOM 1085 CB ALA A 725 -0.305 92.120 -5.228 1.00 19.23 C ATOM 1086 H ALA A 725 0.823 93.143 -3.131 1.00 0.00 H ATOM 1087 N SER A 726 1.738 94.447 -6.039 1.00 19.95 N ATOM 1088 CA SER A 726 2.250 95.291 -7.110 1.00 19.64 C ATOM 1089 C SER A 726 3.743 95.096 -7.292 1.00 17.05 C ATOM 1090 O SER A 726 4.233 95.047 -8.417 1.00 18.23 O ATOM 1091 CB SER A 726 1.959 96.763 -6.830 1.00 22.26 C ATOM 1092 OG SER A 726 2.540 97.540 -7.859 1.00 22.00 O ATOM 1093 HG SER A 726 3.518 97.386 -7.875 1.00 0.00 H ATOM 1094 H SER A 726 1.372 94.865 -5.160 1.00 0.00 H ATOM 1095 N GLY A 727 4.472 94.969 -6.195 1.00 16.22 N ATOM 1096 CA GLY A 727 5.889 94.692 -6.308 1.00 22.29 C ATOM 1097 C GLY A 727 6.146 93.374 -7.009 1.00 21.06 C ATOM 1098 O GLY A 727 7.026 93.271 -7.857 1.00 19.90 O ATOM 1099 H GLY A 727 4.031 95.067 -5.258 1.00 0.00 H ATOM 1100 N MET A 728 5.346 92.363 -6.688 1.00 19.05 N ATOM 1101 CA MET A 728 5.549 91.071 -7.337 1.00 20.48 C ATOM 1102 C MET A 728 5.141 91.128 -8.800 1.00 21.29 C ATOM 1103 O MET A 728 5.783 90.512 -9.654 1.00 18.72 O ATOM 1104 CB MET A 728 4.777 89.977 -6.603 1.00 18.67 C ATOM 1105 CG MET A 728 5.280 89.683 -5.229 1.00 17.91 C ATOM 1106 SD MET A 728 7.035 89.178 -5.241 1.00 19.93 S ATOM 1107 CE MET A 728 6.998 87.856 -6.483 1.00 17.94 C ATOM 1108 H MET A 728 4.588 92.490 -5.987 1.00 0.00 H ATOM 1109 N ARG A 729 4.069 91.864 -9.103 1.00 18.66 N ATOM 1110 CA ARG A 729 3.661 92.042 -10.492 1.00 20.34 C ATOM 1111 C ARG A 729 4.807 92.609 -11.306 1.00 21.57 C ATOM 1112 O ARG A 729 5.034 92.214 -12.451 1.00 21.68 O ATOM 1113 CB ARG A 729 2.457 92.997 -10.556 1.00 21.63 C ATOM 1114 CG ARG A 729 1.958 93.306 -11.960 1.00 21.31 C ATOM 1115 CD ARG A 729 0.779 94.273 -11.913 1.00 24.69 C ATOM 1116 NE ARG A 729 1.143 95.507 -11.223 1.00 24.10 N ATOM 1117 CZ ARG A 729 0.336 96.544 -11.061 1.00 22.15 C ATOM 1118 NH1 ARG A 729 0.764 97.610 -10.410 1.00 19.36 N ATOM 1119 NH2 ARG A 729 -0.893 96.506 -11.532 1.00 18.95 N ATOM 1120 HE ARG A 729 2.104 95.576 -10.831 1.00 0.00 H ATOM 1121 HH12 ARG A 729 0.134 98.427 -10.280 1.00 0.00 H ATOM 1122 HH11 ARG A 729 1.731 97.632 -10.027 1.00 0.00 H ATOM 1123 HH22 ARG A 729 -1.525 97.322 -11.403 1.00 0.00 H ATOM 1124 HH21 ARG A 729 -1.232 95.660 -12.033 1.00 0.00 H ATOM 1125 H ARG A 729 3.521 92.314 -8.343 1.00 0.00 H ATOM 1126 N TYR A 730 5.528 93.550 -10.726 1.00 21.51 N ATOM 1127 CA TYR A 730 6.667 94.131 -11.410 1.00 21.74 C ATOM 1128 C TYR A 730 7.761 93.098 -11.603 1.00 23.76 C ATOM 1129 O TYR A 730 8.302 92.956 -12.700 1.00 22.33 O ATOM 1130 CB TYR A 730 7.173 95.321 -10.598 1.00 22.41 C ATOM 1131 CG TYR A 730 8.480 95.929 -11.029 1.00 25.66 C ATOM 1132 CD1 TYR A 730 8.524 96.942 -11.971 1.00 31.50 C ATOM 1133 CD2 TYR A 730 9.662 95.528 -10.455 1.00 27.36 C ATOM 1134 CE1 TYR A 730 9.726 97.516 -12.337 1.00 29.31 C ATOM 1135 CE2 TYR A 730 10.863 96.101 -10.806 1.00 35.93 C ATOM 1136 CZ TYR A 730 10.886 97.092 -11.752 1.00 34.93 C ATOM 1137 OH TYR A 730 12.082 97.654 -12.106 1.00 33.70 O ATOM 1138 HH TYR A 730 11.928 98.348 -12.795 1.00 0.00 H ATOM 1139 H TYR A 730 5.277 93.877 -9.771 1.00 0.00 H ATOM 1140 N LEU A 731 8.087 92.354 -10.546 1.00 21.72 N ATOM 1141 CA LEU A 731 9.117 91.330 -10.680 1.00 23.14 C ATOM 1142 C LEU A 731 8.716 90.314 -11.736 1.00 21.12 C ATOM 1143 O LEU A 731 9.512 89.961 -12.605 1.00 20.90 O ATOM 1144 CB LEU A 731 9.375 90.638 -9.337 1.00 22.03 C ATOM 1145 CG LEU A 731 10.076 91.490 -8.286 1.00 20.96 C ATOM 1146 CD1 LEU A 731 10.290 90.761 -6.971 1.00 18.65 C ATOM 1147 CD2 LEU A 731 11.392 91.970 -8.830 1.00 22.16 C ATOM 1148 H LEU A 731 7.611 92.502 -9.633 1.00 0.00 H ATOM 1149 N ALA A 732 7.466 89.857 -11.691 1.00 18.86 N ATOM 1150 CA ALA A 732 7.024 88.872 -12.663 1.00 21.74 C ATOM 1151 C ALA A 732 7.120 89.417 -14.078 1.00 31.01 C ATOM 1152 O ALA A 732 7.546 88.712 -14.993 1.00 21.91 O ATOM 1153 CB ALA A 732 5.599 88.416 -12.349 1.00 19.00 C ATOM 1154 H ALA A 732 6.809 90.204 -10.963 1.00 0.00 H ATOM 1155 N GLU A 733 6.725 90.674 -14.276 1.00 27.58 N ATOM 1156 CA GLU A 733 6.848 91.266 -15.604 1.00 26.69 C ATOM 1157 C GLU A 733 8.295 91.269 -16.074 1.00 26.53 C ATOM 1158 O GLU A 733 8.561 91.133 -17.268 1.00 35.84 O ATOM 1159 CB GLU A 733 6.290 92.689 -15.591 1.00 24.72 C ATOM 1160 CG GLU A 733 6.451 93.428 -16.894 1.00 30.77 C ATOM 1161 CD GLU A 733 5.594 92.866 -17.985 1.00 32.81 C ATOM 1162 OE1 GLU A 733 4.615 92.173 -17.679 1.00 35.82 O ATOM 1163 OE2 GLU A 733 5.884 93.124 -19.162 1.00 41.67 O ATOM 1164 H GLU A 733 6.332 91.229 -13.490 1.00 0.00 H ATOM 1165 N MET A 734 9.228 91.410 -15.147 1.00 25.45 N ATOM 1166 CA MET A 734 10.658 91.420 -15.408 1.00 30.53 C ATOM 1167 C MET A 734 11.244 90.019 -15.525 1.00 30.66 C ATOM 1168 O MET A 734 12.463 89.883 -15.630 1.00 30.37 O ATOM 1169 CB MET A 734 11.332 92.159 -14.255 1.00 32.76 C ATOM 1170 CG MET A 734 12.719 92.654 -14.497 1.00 43.97 C ATOM 1171 SD MET A 734 12.904 94.233 -13.678 1.00 70.64 S ATOM 1172 CE MET A 734 11.993 95.277 -14.818 1.00 37.53 C ATOM 1173 H MET A 734 8.916 91.522 -14.161 1.00 0.00 H ATOM 1174 N SER A 735 10.414 88.981 -15.486 1.00 28.52 N ATOM 1175 CA SER A 735 10.887 87.596 -15.546 1.00 31.28 C ATOM 1176 C SER A 735 11.796 87.244 -14.376 1.00 28.65 C ATOM 1177 O SER A 735 12.636 86.353 -14.482 1.00 30.75 O ATOM 1178 CB SER A 735 11.555 87.258 -16.885 1.00 33.24 C ATOM 1179 OG SER A 735 10.628 87.311 -17.949 1.00 37.79 O ATOM 1180 HG SER A 735 11.088 87.089 -18.797 1.00 0.00 H ATOM 1181 H SER A 735 9.392 89.159 -15.410 1.00 0.00 H ATOM 1182 N TYR A 736 11.640 87.924 -13.249 1.00 22.70 N ATOM 1183 CA TYR A 736 12.393 87.615 -12.045 1.00 23.24 C ATOM 1184 C TYR A 736 11.504 86.791 -11.119 1.00 28.16 C ATOM 1185 O TYR A 736 10.442 87.256 -10.706 1.00 17.76 O ATOM 1186 CB TYR A 736 12.850 88.890 -11.339 1.00 24.63 C ATOM 1187 CG TYR A 736 13.695 88.609 -10.133 1.00 24.46 C ATOM 1188 CD1 TYR A 736 15.039 88.331 -10.264 1.00 24.39 C ATOM 1189 CD2 TYR A 736 13.145 88.582 -8.864 1.00 21.26 C ATOM 1190 CE1 TYR A 736 15.822 88.061 -9.170 1.00 30.08 C ATOM 1191 CE2 TYR A 736 13.912 88.313 -7.759 1.00 24.04 C ATOM 1192 CZ TYR A 736 15.263 88.047 -7.916 1.00 29.28 C ATOM 1193 OH TYR A 736 16.055 87.767 -6.832 1.00 22.22 O ATOM 1194 HH TYR A 736 16.983 87.605 -7.136 1.00 0.00 H ATOM 1195 H TYR A 736 10.955 88.706 -13.225 1.00 0.00 H ATOM 1196 N VAL A 737 11.936 85.573 -10.807 1.00 20.44 N ATOM 1197 CA VAL A 737 11.217 84.687 -9.903 1.00 21.90 C ATOM 1198 C VAL A 737 11.872 84.822 -8.537 1.00 21.65 C ATOM 1199 O VAL A 737 13.077 84.598 -8.402 1.00 22.02 O ATOM 1200 CB VAL A 737 11.269 83.235 -10.409 1.00 26.94 C ATOM 1201 CG1 VAL A 737 10.585 82.286 -9.434 1.00 19.02 C ATOM 1202 CG2 VAL A 737 10.637 83.126 -11.786 1.00 17.42 C ATOM 1203 H VAL A 737 12.827 85.239 -11.227 1.00 0.00 H ATOM 1204 N HIS A 738 11.087 85.201 -7.526 1.00 17.70 N ATOM 1205 CA HIS A 738 11.649 85.543 -6.227 1.00 19.41 C ATOM 1206 C HIS A 738 12.147 84.303 -5.495 1.00 25.26 C ATOM 1207 O HIS A 738 13.269 84.279 -4.979 1.00 21.19 O ATOM 1208 CB HIS A 738 10.604 86.271 -5.385 1.00 17.20 C ATOM 1209 CG HIS A 738 11.130 86.793 -4.093 1.00 21.33 C ATOM 1210 ND1 HIS A 738 11.513 85.971 -3.059 1.00 20.54 N ATOM 1211 CD2 HIS A 738 11.355 88.057 -3.671 1.00 22.40 C ATOM 1212 CE1 HIS A 738 11.941 86.706 -2.050 1.00 22.01 C ATOM 1213 NE2 HIS A 738 11.847 87.979 -2.393 1.00 20.32 N ATOM 1214 H HIS A 738 10.058 85.253 -7.668 1.00 0.00 H ATOM 1215 N ARG A 739 11.304 83.283 -5.410 1.00 24.92 N ATOM 1216 CA ARG A 739 11.566 81.969 -4.841 1.00 22.01 C ATOM 1217 C ARG A 739 11.495 81.930 -3.322 1.00 24.11 C ATOM 1218 O ARG A 739 11.472 80.839 -2.752 1.00 21.72 O ATOM 1219 CB ARG A 739 12.896 81.350 -5.303 1.00 23.30 C ATOM 1220 CG ARG A 739 12.999 81.283 -6.790 1.00 22.86 C ATOM 1221 CD ARG A 739 14.432 81.080 -7.232 1.00 35.55 C ATOM 1222 NE ARG A 739 14.953 79.777 -6.870 1.00 38.32 N ATOM 1223 CZ ARG A 739 15.215 78.812 -7.743 1.00 38.58 C ATOM 1224 NH1 ARG A 739 15.694 77.662 -7.317 1.00 36.36 N ATOM 1225 NH2 ARG A 739 15.004 79.001 -9.035 1.00 35.22 N ATOM 1226 HE ARG A 739 15.133 79.586 -5.864 1.00 0.00 H ATOM 1227 HH12 ARG A 739 15.901 76.902 -7.996 1.00 0.00 H ATOM 1228 HH11 ARG A 739 15.865 77.514 -6.302 1.00 0.00 H ATOM 1229 HH22 ARG A 739 15.212 78.240 -9.713 1.00 0.00 H ATOM 1230 HH21 ARG A 739 14.630 79.911 -9.373 1.00 0.00 H ATOM 1231 H ARG A 739 10.350 83.439 -5.792 1.00 0.00 H ATOM 1232 N ASP A 740 11.468 83.066 -2.639 1.00 20.76 N ATOM 1233 CA ASP A 740 11.348 83.055 -1.190 1.00 23.72 C ATOM 1234 C ASP A 740 10.434 84.170 -0.711 1.00 23.89 C ATOM 1235 O ASP A 740 10.736 84.859 0.265 1.00 21.26 O ATOM 1236 CB ASP A 740 12.703 83.145 -0.490 1.00 25.48 C ATOM 1237 CG ASP A 740 12.617 82.806 0.999 1.00 35.31 C ATOM 1238 OD1 ASP A 740 11.683 82.088 1.395 1.00 32.59 O ATOM 1239 OD2 ASP A 740 13.472 83.270 1.778 1.00 33.05 O ATOM 1240 H ASP A 740 11.533 83.973 -3.144 1.00 0.00 H ATOM 1241 N LEU A 741 9.298 84.346 -1.372 1.00 18.02 N ATOM 1242 CA LEU A 741 8.368 85.386 -0.944 1.00 20.69 C ATOM 1243 C LEU A 741 7.668 84.961 0.340 1.00 30.38 C ATOM 1244 O LEU A 741 7.036 83.908 0.394 1.00 21.34 O ATOM 1245 CB LEU A 741 7.351 85.660 -2.043 1.00 17.60 C ATOM 1246 CG LEU A 741 6.205 86.642 -1.728 1.00 15.42 C ATOM 1247 CD1 LEU A 741 6.739 88.016 -1.344 1.00 14.92 C ATOM 1248 CD2 LEU A 741 5.296 86.742 -2.898 1.00 14.56 C ATOM 1249 H LEU A 741 9.071 83.746 -2.191 1.00 0.00 H ATOM 1250 N ALA A 742 7.772 85.790 1.369 1.00 22.22 N ATOM 1251 CA ALA A 742 7.274 85.482 2.698 1.00 19.27 C ATOM 1252 C ALA A 742 7.227 86.792 3.459 1.00 19.71 C ATOM 1253 O ALA A 742 7.985 87.696 3.145 1.00 20.24 O ATOM 1254 CB ALA A 742 8.211 84.502 3.415 1.00 17.62 C ATOM 1255 H ALA A 742 8.234 86.709 1.217 1.00 0.00 H ATOM 1256 N ALA A 743 6.348 86.888 4.459 1.00 15.95 N ATOM 1257 CA ALA A 743 6.226 88.162 5.160 1.00 14.89 C ATOM 1258 C ALA A 743 7.543 88.569 5.807 1.00 21.23 C ATOM 1259 O ALA A 743 7.829 89.756 5.927 1.00 20.55 O ATOM 1260 CB ALA A 743 5.108 88.138 6.193 1.00 15.27 C ATOM 1261 H ALA A 743 5.763 86.073 4.732 1.00 0.00 H ATOM 1262 N ARG A 744 8.367 87.604 6.210 1.00 19.06 N ATOM 1263 CA ARG A 744 9.659 87.955 6.792 1.00 23.10 C ATOM 1264 C ARG A 744 10.585 88.635 5.796 1.00 22.40 C ATOM 1265 O ARG A 744 11.586 89.213 6.215 1.00 20.54 O ATOM 1266 CB ARG A 744 10.364 86.716 7.344 1.00 25.48 C ATOM 1267 CG ARG A 744 10.476 85.610 6.340 1.00 21.30 C ATOM 1268 CD ARG A 744 11.135 84.354 6.913 1.00 27.73 C ATOM 1269 NE ARG A 744 10.809 83.219 6.061 1.00 24.17 N ATOM 1270 CZ ARG A 744 11.375 82.999 4.890 1.00 26.20 C ATOM 1271 NH1 ARG A 744 12.311 83.809 4.446 1.00 29.38 N ATOM 1272 NH2 ARG A 744 10.999 81.982 4.159 1.00 25.94 N ATOM 1273 HE ARG A 744 10.091 82.545 6.394 1.00 0.00 H ATOM 1274 HH12 ARG A 744 12.756 83.633 3.522 1.00 0.00 H ATOM 1275 HH11 ARG A 744 12.607 84.625 5.018 1.00 0.00 H ATOM 1276 HH22 ARG A 744 11.447 81.811 3.236 1.00 0.00 H ATOM 1277 HH21 ARG A 744 10.252 81.344 4.500 1.00 0.00 H ATOM 1278 H ARG A 744 8.092 86.606 6.111 1.00 0.00 H ATOM 1279 N ASN A 745 10.280 88.556 4.500 1.00 20.33 N ATOM 1280 CA ASN A 745 11.069 89.169 3.441 1.00 22.88 C ATOM 1281 C ASN A 745 10.427 90.441 2.908 1.00 23.64 C ATOM 1282 O ASN A 745 10.770 90.887 1.820 1.00 23.63 O ATOM 1283 CB ASN A 745 11.306 88.190 2.283 1.00 21.80 C ATOM 1284 CG ASN A 745 12.531 87.306 2.497 1.00 27.13 C ATOM 1285 OD1 ASN A 745 13.463 87.696 3.170 1.00 25.78 O ATOM 1286 ND2 ASN A 745 12.515 86.106 1.917 1.00 23.21 N ATOM 1287 HD22 ASN A 745 11.694 85.814 1.349 1.00 0.00 H ATOM 1288 HD21 ASN A 745 13.323 85.462 2.033 1.00 0.00 H ATOM 1289 H ASN A 745 9.428 88.025 4.230 1.00 0.00 H ATOM 1290 N ILE A 746 9.475 91.007 3.636 1.00 32.96 N ATOM 1291 CA ILE A 746 8.830 92.257 3.262 1.00 28.76 C ATOM 1292 C ILE A 746 9.176 93.273 4.333 1.00 32.99 C ATOM 1293 O ILE A 746 9.000 92.992 5.518 1.00 24.25 O ATOM 1294 CB ILE A 746 7.302 92.099 3.190 1.00 30.46 C ATOM 1295 CG1 ILE A 746 6.894 90.984 2.233 1.00 27.39 C ATOM 1296 CG2 ILE A 746 6.652 93.406 2.790 1.00 61.55 C ATOM 1297 CD1 ILE A 746 7.269 91.228 0.837 1.00 28.42 C ATOM 1298 H ILE A 746 9.175 90.537 4.514 1.00 0.00 H ATOM 1299 N LEU A 747 9.656 94.447 3.922 1.00 24.41 N ATOM 1300 CA LEU A 747 9.952 95.530 4.844 1.00 30.12 C ATOM 1301 C LEU A 747 8.858 96.585 4.773 1.00 24.64 C ATOM 1302 O LEU A 747 8.239 96.781 3.732 1.00 24.70 O ATOM 1303 CB LEU A 747 11.301 96.161 4.514 1.00 27.06 C ATOM 1304 CG LEU A 747 12.523 95.286 4.745 1.00 29.51 C ATOM 1305 CD1 LEU A 747 13.717 95.873 4.039 1.00 31.66 C ATOM 1306 CD2 LEU A 747 12.798 95.163 6.221 1.00 28.69 C ATOM 1307 H LEU A 747 9.824 94.593 2.906 1.00 0.00 H ATOM 1308 N VAL A 748 8.612 97.247 5.898 1.00 23.11 N ATOM 1309 CA VAL A 748 7.493 98.178 6.033 1.00 24.59 C ATOM 1310 C VAL A 748 8.033 99.555 6.383 1.00 27.88 C ATOM 1311 O VAL A 748 8.757 99.704 7.366 1.00 27.41 O ATOM 1312 CB VAL A 748 6.499 97.720 7.111 1.00 23.56 C ATOM 1313 CG1 VAL A 748 5.268 98.619 7.126 1.00 24.41 C ATOM 1314 CG2 VAL A 748 6.109 96.285 6.869 1.00 24.96 C ATOM 1315 H VAL A 748 9.239 97.097 6.714 1.00 0.00 H ATOM 1316 N ASN A 749 7.662 100.556 5.600 1.00 27.11 N ATOM 1317 CA ASN A 749 8.130 101.894 5.920 1.00 34.28 C ATOM 1318 C ASN A 749 7.180 102.592 6.891 1.00 33.22 C ATOM 1319 O ASN A 749 6.151 102.055 7.295 1.00 27.79 O ATOM 1320 CB ASN A 749 8.478 102.703 4.666 1.00 31.53 C ATOM 1321 CG ASN A 749 7.286 103.359 4.015 1.00 29.66 C ATOM 1322 OD1 ASN A 749 6.161 103.219 4.448 1.00 29.50 O ATOM 1323 ND2 ASN A 749 7.550 104.107 2.950 1.00 31.51 N ATOM 1324 HD22 ASN A 749 8.528 104.201 2.610 1.00 0.00 H ATOM 1325 HD21 ASN A 749 6.778 104.599 2.456 1.00 0.00 H ATOM 1326 H ASN A 749 7.050 100.389 4.776 1.00 0.00 H ATOM 1327 N SER A 750 7.538 103.823 7.268 1.00 37.46 N ATOM 1328 CA SER A 750 6.771 104.562 8.266 1.00 39.95 C ATOM 1329 C SER A 750 5.340 104.840 7.824 1.00 36.51 C ATOM 1330 O SER A 750 4.476 105.071 8.677 1.00 36.66 O ATOM 1331 CB SER A 750 7.478 105.874 8.613 1.00 43.10 C ATOM 1332 OG SER A 750 7.601 106.705 7.471 1.00 42.99 O ATOM 1333 HG SER A 750 8.061 107.545 7.723 1.00 0.00 H ATOM 1334 H SER A 750 8.379 104.263 6.842 1.00 0.00 H ATOM 1335 N ASN A 751 5.068 104.829 6.520 1.00 32.16 N ATOM 1336 CA ASN A 751 3.727 105.040 6.007 1.00 33.73 C ATOM 1337 C ASN A 751 3.004 103.740 5.711 1.00 31.69 C ATOM 1338 O ASN A 751 1.971 103.763 5.045 1.00 28.53 O ATOM 1339 CB ASN A 751 3.759 105.912 4.752 1.00 38.18 C ATOM 1340 CG ASN A 751 4.197 107.319 5.042 1.00 41.21 C ATOM 1341 OD1 ASN A 751 3.789 107.905 6.037 1.00 44.36 O ATOM 1342 ND2 ASN A 751 5.016 107.878 4.166 1.00 39.71 N ATOM 1343 HD22 ASN A 751 5.335 107.340 3.336 1.00 0.00 H ATOM 1344 HD21 ASN A 751 5.340 108.856 4.308 1.00 0.00 H ATOM 1345 H ASN A 751 5.843 104.664 5.847 1.00 0.00 H ATOM 1346 N LEU A 752 3.525 102.614 6.190 1.00 27.04 N ATOM 1347 CA LEU A 752 2.962 101.286 5.967 1.00 28.62 C ATOM 1348 C LEU A 752 3.115 100.805 4.534 1.00 26.74 C ATOM 1349 O LEU A 752 2.461 99.844 4.144 1.00 26.19 O ATOM 1350 CB LEU A 752 1.496 101.165 6.393 1.00 31.89 C ATOM 1351 CG LEU A 752 1.145 101.527 7.827 1.00 32.08 C ATOM 1352 CD1 LEU A 752 -0.269 101.103 8.120 1.00 24.42 C ATOM 1353 CD2 LEU A 752 2.122 100.880 8.785 1.00 30.55 C ATOM 1354 H LEU A 752 4.391 102.684 6.761 1.00 0.00 H ATOM 1355 N VAL A 753 3.953 101.452 3.735 1.00 26.54 N ATOM 1356 CA VAL A 753 4.235 100.948 2.402 1.00 27.25 C ATOM 1357 C VAL A 753 5.102 99.708 2.530 1.00 24.59 C ATOM 1358 O VAL A 753 6.145 99.738 3.185 1.00 21.22 O ATOM 1359 CB VAL A 753 4.938 102.023 1.565 1.00 28.90 C ATOM 1360 CG1 VAL A 753 5.316 101.471 0.207 1.00 22.73 C ATOM 1361 CG2 VAL A 753 4.025 103.217 1.412 1.00 24.46 C ATOM 1362 H VAL A 753 4.411 102.326 4.065 1.00 0.00 H ATOM 1363 N CYS A 754 4.663 98.612 1.920 1.00 19.51 N ATOM 1364 CA CYS A 754 5.410 97.361 1.983 1.00 25.78 C ATOM 1365 C CYS A 754 6.318 97.208 0.776 1.00 23.07 C ATOM 1366 O CYS A 754 5.908 97.479 -0.351 1.00 20.34 O ATOM 1367 CB CYS A 754 4.432 96.195 2.042 1.00 19.00 C ATOM 1368 SG CYS A 754 3.545 96.188 3.594 1.00 21.92 S ATOM 1369 H CYS A 754 3.770 98.647 1.388 1.00 0.00 H ATOM 1370 N LYS A 755 7.551 96.753 1.024 1.00 21.12 N ATOM 1371 CA LYS A 755 8.552 96.586 -0.018 1.00 20.82 C ATOM 1372 C LYS A 755 9.098 95.170 -0.021 1.00 25.88 C ATOM 1373 O LYS A 755 9.645 94.710 0.980 1.00 21.37 O ATOM 1374 CB LYS A 755 9.696 97.575 0.153 1.00 21.35 C ATOM 1375 CG LYS A 755 9.148 98.981 0.285 1.00 30.24 C ATOM 1376 CD LYS A 755 10.056 100.037 -0.238 1.00 30.37 C ATOM 1377 CE LYS A 755 9.355 101.384 -0.109 1.00 33.51 C ATOM 1378 NZ LYS A 755 9.999 102.403 -0.963 1.00 36.80 N ATOM 1379 HZ1 LYS A 755 10.992 102.516 -0.677 1.00 0.00 H ATOM 1380 HZ2 LYS A 755 9.956 102.099 -1.957 1.00 0.00 H ATOM 1381 HZ3 LYS A 755 9.501 103.309 -0.855 1.00 0.00 H ATOM 1382 H LYS A 755 7.805 96.508 2.003 1.00 0.00 H ATOM 1383 N VAL A 756 8.984 94.513 -1.164 1.00 21.99 N ATOM 1384 CA VAL A 756 9.479 93.154 -1.300 1.00 23.05 C ATOM 1385 C VAL A 756 10.995 93.204 -1.258 1.00 24.26 C ATOM 1386 O VAL A 756 11.614 94.007 -1.958 1.00 21.58 O ATOM 1387 CB VAL A 756 8.990 92.553 -2.620 1.00 21.15 C ATOM 1388 CG1 VAL A 756 9.609 91.177 -2.844 1.00 19.81 C ATOM 1389 CG2 VAL A 756 7.496 92.461 -2.633 1.00 15.82 C ATOM 1390 H VAL A 756 8.533 94.977 -1.978 1.00 0.00 H ATOM 1391 N SER A 757 11.586 92.356 -0.432 1.00 19.14 N ATOM 1392 CA SER A 757 13.024 92.253 -0.263 1.00 22.39 C ATOM 1393 C SER A 757 13.408 90.779 -0.330 1.00 27.16 C ATOM 1394 O SER A 757 12.569 89.914 -0.555 1.00 24.71 O ATOM 1395 CB SER A 757 13.444 92.843 1.084 1.00 27.61 C ATOM 1396 OG SER A 757 12.740 94.042 1.341 1.00 31.79 O ATOM 1397 HG SER A 757 11.768 93.855 1.360 1.00 0.00 H ATOM 1398 H SER A 757 10.982 91.724 0.131 1.00 0.00 H ATOM 1399 N ASP A 758 14.689 90.490 -0.141 1.00 28.81 N ATOM 1400 CA ASP A 758 15.130 89.100 -0.028 1.00 30.88 C ATOM 1401 C ASP A 758 16.369 89.087 0.850 1.00 31.03 C ATOM 1402 O ASP A 758 17.442 89.494 0.408 1.00 29.00 O ATOM 1403 CB ASP A 758 15.422 88.489 -1.392 1.00 28.39 C ATOM 1404 CG ASP A 758 15.731 86.995 -1.312 1.00 29.56 C ATOM 1405 OD1 ASP A 758 15.863 86.464 -0.196 1.00 26.84 O ATOM 1406 OD2 ASP A 758 15.831 86.360 -2.367 1.00 29.71 O ATOM 1407 H ASP A 758 15.386 91.259 -0.073 1.00 0.00 H ATOM 1408 N PHE A 759 16.222 88.622 2.079 1.00 29.78 N ATOM 1409 CA PHE A 759 17.340 88.577 3.002 1.00 41.04 C ATOM 1410 C PHE A 759 18.160 87.301 2.885 1.00 50.47 C ATOM 1411 O PHE A 759 19.254 87.239 3.453 1.00 54.46 O ATOM 1412 CB PHE A 759 16.836 88.776 4.426 1.00 41.59 C ATOM 1413 CG PHE A 759 16.029 90.020 4.595 1.00 41.90 C ATOM 1414 CD1 PHE A 759 16.407 91.186 3.961 1.00 40.72 C ATOM 1415 CD2 PHE A 759 14.876 90.019 5.348 1.00 36.72 C ATOM 1416 CE1 PHE A 759 15.673 92.326 4.098 1.00 38.14 C ATOM 1417 CE2 PHE A 759 14.134 91.158 5.486 1.00 36.21 C ATOM 1418 CZ PHE A 759 14.536 92.317 4.863 1.00 39.18 C ATOM 1419 H PHE A 759 15.289 88.283 2.389 1.00 0.00 H ATOM 1420 N GLY A 760 17.671 86.306 2.152 1.00 49.56 N ATOM 1421 CA GLY A 760 18.411 85.072 1.960 1.00 54.31 C ATOM 1422 C GLY A 760 18.799 84.438 3.272 1.00 64.22 C ATOM 1423 O GLY A 760 18.016 84.389 4.223 1.00 64.05 O ATOM 1424 H GLY A 760 16.738 86.414 1.706 1.00 0.00 H ATOM 1425 N LEU A 761 20.029 83.942 3.330 1.00 73.88 N ATOM 1426 CA LEU A 761 20.607 83.504 4.593 1.00 78.75 C ATOM 1427 C LEU A 761 20.835 84.738 5.450 1.00 79.08 C ATOM 1428 O LEU A 761 21.676 85.580 5.122 1.00 81.21 O ATOM 1429 CB LEU A 761 21.927 82.788 4.328 1.00 85.23 C ATOM 1430 CG LEU A 761 21.910 81.729 3.228 1.00 86.13 C ATOM 1431 CD1 LEU A 761 23.302 81.168 3.010 1.00 92.87 C ATOM 1432 CD2 LEU A 761 20.929 80.622 3.574 1.00 84.11 C ATOM 1433 H LEU A 761 20.590 83.865 2.458 1.00 0.00 H ATOM 1434 N SER A 762 20.083 84.864 6.538 1.00 78.08 N ATOM 1435 CA SER A 762 20.143 86.081 7.331 1.00 78.36 C ATOM 1436 C SER A 762 19.684 85.787 8.750 1.00 82.40 C ATOM 1437 O SER A 762 19.198 84.697 9.058 1.00 84.60 O ATOM 1438 CB SER A 762 19.280 87.176 6.712 1.00 73.30 C ATOM 1439 OG SER A 762 17.912 86.869 6.879 1.00 71.96 O ATOM 1440 HG SER A 762 17.362 87.586 6.474 1.00 0.00 H ATOM 1441 H SER A 762 19.450 84.090 6.823 1.00 0.00 H ATOM 1442 N ARG A 763 19.843 86.791 9.607 1.00 83.06 N ATOM 1443 CA ARG A 763 19.438 86.722 11.002 1.00 85.42 C ATOM 1444 C ARG A 763 19.399 88.142 11.541 1.00 85.75 C ATOM 1445 O ARG A 763 20.213 88.979 11.146 1.00 84.50 O ATOM 1446 CB ARG A 763 20.427 85.884 11.820 1.00 90.39 C ATOM 1447 CG ARG A 763 20.157 85.884 13.315 1.00 92.89 C ATOM 1448 CD ARG A 763 21.450 85.829 14.107 1.00 96.98 C ATOM 1449 NE ARG A 763 22.208 84.613 13.830 1.00102.53 N ATOM 1450 CZ ARG A 763 22.162 83.519 14.581 1.00104.67 C ATOM 1451 NH1 ARG A 763 22.885 82.457 14.254 1.00103.07 N ATOM 1452 NH2 ARG A 763 21.396 83.487 15.663 1.00104.29 N ATOM 1453 HE ARG A 763 22.823 84.603 12.991 1.00 0.00 H ATOM 1454 HH12 ARG A 763 22.848 81.601 14.843 1.00 0.00 H ATOM 1455 HH11 ARG A 763 23.489 82.480 13.408 1.00 0.00 H ATOM 1456 HH22 ARG A 763 21.361 82.629 16.250 1.00 0.00 H ATOM 1457 HH21 ARG A 763 20.830 84.320 15.924 1.00 0.00 H ATOM 1458 H ARG A 763 20.279 87.670 9.262 1.00 0.00 H ATOM 1459 N PHE A 764 18.452 88.407 12.434 1.00 86.58 N ATOM 1460 CA PHE A 764 18.295 89.732 13.018 1.00 83.84 C ATOM 1461 C PHE A 764 18.716 89.722 14.481 1.00 83.69 C ATOM 1462 O PHE A 764 18.492 88.742 15.188 1.00 84.45 O ATOM 1463 CB PHE A 764 16.846 90.214 12.896 1.00 79.90 C ATOM 1464 CG PHE A 764 16.364 90.359 11.479 1.00 75.71 C ATOM 1465 CD1 PHE A 764 16.236 89.257 10.654 1.00 74.38 C ATOM 1466 CD2 PHE A 764 16.027 91.604 10.978 1.00 71.70 C ATOM 1467 CE1 PHE A 764 15.796 89.397 9.361 1.00 70.75 C ATOM 1468 CE2 PHE A 764 15.580 91.748 9.686 1.00 62.36 C ATOM 1469 CZ PHE A 764 15.464 90.647 8.878 1.00 63.81 C ATOM 1470 H PHE A 764 17.804 87.647 12.724 1.00 0.00 H TER 1471 PHE A 764 ATOM 1472 N ILE A 782 15.185 75.926 6.674 1.00 78.89 N ATOM 1473 CA ILE A 782 14.853 75.978 5.257 1.00 77.02 C ATOM 1474 C ILE A 782 13.337 76.031 5.078 1.00 69.16 C ATOM 1475 O ILE A 782 12.625 75.143 5.533 1.00 64.64 O ATOM 1476 CB ILE A 782 15.510 74.824 4.492 1.00 80.35 C ATOM 1477 CG1 ILE A 782 16.977 74.693 4.906 1.00 86.38 C ATOM 1478 CG2 ILE A 782 15.412 75.050 2.996 1.00 81.47 C ATOM 1479 CD1 ILE A 782 17.779 75.976 4.762 1.00 87.41 C ATOM 1480 HN3 ILE A 782 14.760 75.077 7.098 1.00 0.00 H ATOM 1481 HN2 ILE A 782 14.813 76.774 7.147 1.00 0.00 H ATOM 1482 HN1 ILE A 782 16.218 75.890 6.786 1.00 0.00 H ATOM 1483 N PRO A 783 12.854 77.076 4.418 1.00 68.48 N ATOM 1484 CA PRO A 783 11.419 77.464 4.441 1.00 56.03 C ATOM 1485 C PRO A 783 10.441 76.862 3.428 1.00 50.64 C ATOM 1486 O PRO A 783 9.956 77.506 2.485 1.00 45.66 O ATOM 1487 CB PRO A 783 11.484 78.982 4.264 1.00 52.24 C ATOM 1488 CG PRO A 783 12.947 79.357 4.362 1.00 58.52 C ATOM 1489 CD PRO A 783 13.688 78.164 3.896 1.00 69.65 C ATOM 1490 N ILE A 784 10.069 75.606 3.657 1.00 34.67 N ATOM 1491 CA ILE A 784 9.167 74.956 2.723 1.00 29.54 C ATOM 1492 C ILE A 784 7.721 75.420 2.858 1.00 22.77 C ATOM 1493 O ILE A 784 6.952 75.249 1.918 1.00 22.36 O ATOM 1494 CB ILE A 784 9.264 73.429 2.831 1.00 35.52 C ATOM 1495 CG1 ILE A 784 8.612 72.968 4.117 1.00 34.31 C ATOM 1496 CG2 ILE A 784 10.709 72.987 2.779 1.00 39.79 C ATOM 1497 CD1 ILE A 784 7.267 72.361 3.917 1.00 33.20 C ATOM 1498 H ILE A 784 10.419 75.096 4.493 1.00 0.00 H ATOM 1499 N ARG A 785 7.326 76.004 3.989 1.00 21.24 N ATOM 1500 CA ARG A 785 5.901 76.284 4.162 1.00 22.62 C ATOM 1501 C ARG A 785 5.408 77.460 3.330 1.00 24.64 C ATOM 1502 O ARG A 785 4.204 77.724 3.321 1.00 17.02 O ATOM 1503 CB ARG A 785 5.519 76.438 5.632 1.00 20.47 C ATOM 1504 CG ARG A 785 6.194 77.550 6.358 1.00 24.42 C ATOM 1505 CD ARG A 785 5.987 77.373 7.850 1.00 25.43 C ATOM 1506 NE ARG A 785 6.592 76.114 8.248 1.00 31.68 N ATOM 1507 CZ ARG A 785 6.084 75.275 9.140 1.00 28.22 C ATOM 1508 NH1 ARG A 785 4.948 75.545 9.743 1.00 28.70 N ATOM 1509 NH2 ARG A 785 6.717 74.152 9.407 1.00 27.78 N ATOM 1510 HE ARG A 785 7.492 75.851 7.799 1.00 0.00 H ATOM 1511 HH12 ARG A 785 4.559 74.880 10.441 1.00 0.00 H ATOM 1512 HH11 ARG A 785 4.438 76.424 9.522 1.00 0.00 H ATOM 1513 HH22 ARG A 785 6.326 73.488 10.105 1.00 0.00 H ATOM 1514 HH21 ARG A 785 7.608 73.929 8.920 1.00 0.00 H ATOM 1515 H ARG A 785 8.013 76.254 4.729 1.00 0.00 H ATOM 1516 N TRP A 786 6.297 78.147 2.619 1.00 21.63 N ATOM 1517 CA TRP A 786 5.884 79.171 1.672 1.00 21.19 C ATOM 1518 C TRP A 786 5.989 78.702 0.236 1.00 24.03 C ATOM 1519 O TRP A 786 5.684 79.466 -0.670 1.00 20.29 O ATOM 1520 CB TRP A 786 6.741 80.434 1.835 1.00 19.82 C ATOM 1521 CG TRP A 786 6.514 81.139 3.108 1.00 20.93 C ATOM 1522 CD1 TRP A 786 5.649 82.171 3.318 1.00 19.28 C ATOM 1523 CD2 TRP A 786 7.149 80.887 4.364 1.00 20.68 C ATOM 1524 NE1 TRP A 786 5.705 82.572 4.615 1.00 20.44 N ATOM 1525 CE2 TRP A 786 6.622 81.807 5.282 1.00 20.09 C ATOM 1526 CE3 TRP A 786 8.127 79.992 4.796 1.00 21.78 C ATOM 1527 CZ2 TRP A 786 7.012 81.837 6.610 1.00 19.18 C ATOM 1528 CZ3 TRP A 786 8.521 80.030 6.114 1.00 22.71 C ATOM 1529 CH2 TRP A 786 7.967 80.952 7.008 1.00 24.48 C ATOM 1530 HE1 TRP A 786 5.141 83.338 5.034 1.00 0.00 H ATOM 1531 H TRP A 786 7.310 77.948 2.743 1.00 0.00 H ATOM 1532 N THR A 787 6.419 77.467 -0.002 1.00 17.11 N ATOM 1533 CA THR A 787 6.797 77.062 -1.345 1.00 16.94 C ATOM 1534 C THR A 787 5.711 76.221 -2.007 1.00 15.72 C ATOM 1535 O THR A 787 5.129 75.339 -1.385 1.00 17.02 O ATOM 1536 CB THR A 787 8.120 76.294 -1.281 1.00 20.31 C ATOM 1537 OG1 THR A 787 9.123 77.146 -0.717 1.00 18.28 O ATOM 1538 CG2 THR A 787 8.558 75.852 -2.652 1.00 18.88 C ATOM 1539 HG1 THR A 787 9.983 76.657 -0.672 1.00 0.00 H ATOM 1540 H THR A 787 6.485 76.785 0.780 1.00 0.00 H ATOM 1541 N ALA A 788 5.439 76.521 -3.267 1.00 15.34 N ATOM 1542 CA ALA A 788 4.438 75.776 -4.005 1.00 17.68 C ATOM 1543 C ALA A 788 4.820 74.301 -4.066 1.00 20.03 C ATOM 1544 O ALA A 788 5.997 73.969 -4.096 1.00 17.04 O ATOM 1545 CB ALA A 788 4.377 76.284 -5.431 1.00 14.31 C ATOM 1546 H ALA A 788 5.949 77.299 -3.732 1.00 0.00 H ATOM 1547 N PRO A 789 3.828 73.418 -4.148 1.00 17.18 N ATOM 1548 CA PRO A 789 4.125 71.987 -4.115 1.00 15.11 C ATOM 1549 C PRO A 789 4.971 71.533 -5.277 1.00 19.24 C ATOM 1550 O PRO A 789 5.813 70.653 -5.092 1.00 23.87 O ATOM 1551 CB PRO A 789 2.738 71.328 -4.095 1.00 19.40 C ATOM 1552 CG PRO A 789 1.740 72.414 -4.371 1.00 18.26 C ATOM 1553 CD PRO A 789 2.402 73.698 -3.982 1.00 15.86 C ATOM 1554 N GLU A 790 4.802 72.115 -6.457 1.00 17.89 N ATOM 1555 CA GLU A 790 5.628 71.708 -7.583 1.00 20.13 C ATOM 1556 C GLU A 790 7.054 72.220 -7.459 1.00 25.46 C ATOM 1557 O GLU A 790 7.969 71.684 -8.104 1.00 23.93 O ATOM 1558 CB GLU A 790 5.026 72.199 -8.894 1.00 17.03 C ATOM 1559 CG GLU A 790 5.201 73.698 -9.127 1.00 15.46 C ATOM 1560 CD GLU A 790 4.089 74.533 -8.513 1.00 20.83 C ATOM 1561 OE1 GLU A 790 3.244 73.977 -7.771 1.00 17.13 O ATOM 1562 OE2 GLU A 790 4.095 75.743 -8.818 1.00 18.77 O ATOM 1563 H GLU A 790 4.084 72.857 -6.576 1.00 0.00 H ATOM 1564 N ALA A 791 7.266 73.251 -6.651 1.00 16.89 N ATOM 1565 CA ALA A 791 8.617 73.745 -6.465 1.00 20.38 C ATOM 1566 C ALA A 791 9.347 72.931 -5.411 1.00 21.51 C ATOM 1567 O ALA A 791 10.560 72.759 -5.494 1.00 21.53 O ATOM 1568 CB ALA A 791 8.573 75.235 -6.089 1.00 19.17 C ATOM 1569 H ALA A 791 6.470 73.701 -6.155 1.00 0.00 H ATOM 1570 N ILE A 792 8.618 72.424 -4.425 1.00 19.62 N ATOM 1571 CA ILE A 792 9.230 71.557 -3.428 1.00 27.45 C ATOM 1572 C ILE A 792 9.754 70.304 -4.097 1.00 28.31 C ATOM 1573 O ILE A 792 10.895 69.887 -3.883 1.00 27.37 O ATOM 1574 CB ILE A 792 8.215 71.196 -2.335 1.00 26.50 C ATOM 1575 CG1 ILE A 792 7.812 72.420 -1.527 1.00 18.94 C ATOM 1576 CG2 ILE A 792 8.779 70.095 -1.426 1.00 24.31 C ATOM 1577 CD1 ILE A 792 6.752 72.102 -0.543 1.00 23.07 C ATOM 1578 H ILE A 792 7.604 72.647 -4.364 1.00 0.00 H ATOM 1579 N ALA A 793 8.922 69.698 -4.928 1.00 24.14 N ATOM 1580 CA ALA A 793 9.193 68.363 -5.437 1.00 28.16 C ATOM 1581 C ALA A 793 10.035 68.423 -6.701 1.00 26.20 C ATOM 1582 O ALA A 793 11.158 67.918 -6.741 1.00 32.55 O ATOM 1583 CB ALA A 793 7.864 67.664 -5.721 1.00 28.75 C ATOM 1584 H ALA A 793 8.054 70.188 -5.224 1.00 0.00 H ATOM 1585 N PHE A 794 9.504 69.045 -7.731 1.00 23.37 N ATOM 1586 CA PHE A 794 10.167 69.083 -9.010 1.00 19.74 C ATOM 1587 C PHE A 794 11.159 70.219 -9.117 1.00 24.11 C ATOM 1588 O PHE A 794 11.834 70.327 -10.136 1.00 21.02 O ATOM 1589 CB PHE A 794 9.140 69.182 -10.124 1.00 22.36 C ATOM 1590 CG PHE A 794 8.321 67.941 -10.290 1.00 23.65 C ATOM 1591 CD1 PHE A 794 8.830 66.864 -10.976 1.00 19.72 C ATOM 1592 CD2 PHE A 794 7.053 67.860 -9.769 1.00 22.78 C ATOM 1593 CE1 PHE A 794 8.094 65.735 -11.140 1.00 17.93 C ATOM 1594 CE2 PHE A 794 6.301 66.726 -9.931 1.00 19.24 C ATOM 1595 CZ PHE A 794 6.826 65.660 -10.609 1.00 18.50 C ATOM 1596 H PHE A 794 8.585 69.520 -7.620 1.00 0.00 H ATOM 1597 N ARG A 795 11.266 71.061 -8.095 1.00 35.70 N ATOM 1598 CA ARG A 795 12.143 72.230 -8.133 1.00 35.09 C ATOM 1599 C ARG A 795 11.812 73.138 -9.315 1.00 33.94 C ATOM 1600 O ARG A 795 12.691 73.727 -9.932 1.00 30.86 O ATOM 1601 CB ARG A 795 13.626 71.847 -8.116 1.00 34.18 C ATOM 1602 CG ARG A 795 13.967 70.812 -7.073 1.00 35.32 C ATOM 1603 CD ARG A 795 13.527 71.243 -5.703 1.00 35.55 C ATOM 1604 NE ARG A 795 14.301 72.380 -5.231 1.00 36.22 N ATOM 1605 CZ ARG A 795 14.030 73.062 -4.125 1.00 38.41 C ATOM 1606 NH1 ARG A 795 12.989 72.732 -3.378 1.00 32.29 N ATOM 1607 NH2 ARG A 795 14.795 74.085 -3.774 1.00 35.22 N ATOM 1608 HE ARG A 795 15.121 72.678 -5.797 1.00 0.00 H ATOM 1609 HH12 ARG A 795 12.779 73.268 -2.512 1.00 0.00 H ATOM 1610 HH11 ARG A 795 12.380 71.936 -3.657 1.00 0.00 H ATOM 1611 HH22 ARG A 795 14.583 74.620 -2.907 1.00 0.00 H ATOM 1612 HH21 ARG A 795 15.608 74.354 -4.365 1.00 0.00 H ATOM 1613 H ARG A 795 10.706 70.882 -7.237 1.00 0.00 H ATOM 1614 N LYS A 796 10.530 73.238 -9.635 1.00 22.52 N ATOM 1615 CA LYS A 796 10.054 74.063 -10.736 1.00 21.22 C ATOM 1616 C LYS A 796 9.564 75.368 -10.115 1.00 20.39 C ATOM 1617 O LYS A 796 8.482 75.414 -9.534 1.00 17.96 O ATOM 1618 CB LYS A 796 8.921 73.341 -11.452 1.00 21.49 C ATOM 1619 CG LYS A 796 8.369 74.056 -12.666 1.00 25.16 C ATOM 1620 CD LYS A 796 9.454 74.469 -13.628 1.00 25.16 C ATOM 1621 CE LYS A 796 8.859 75.025 -14.906 1.00 23.23 C ATOM 1622 NZ LYS A 796 9.880 75.685 -15.739 1.00 29.66 N ATOM 1623 HZ1 LYS A 796 10.306 76.470 -15.206 1.00 0.00 H ATOM 1624 HZ2 LYS A 796 10.617 74.996 -15.992 1.00 0.00 H ATOM 1625 HZ3 LYS A 796 9.435 76.053 -16.604 1.00 0.00 H ATOM 1626 H LYS A 796 9.834 72.704 -9.076 1.00 0.00 H ATOM 1627 N PHE A 797 10.379 76.410 -10.228 1.00 23.22 N ATOM 1628 CA PHE A 797 10.108 77.726 -9.658 1.00 18.63 C ATOM 1629 C PHE A 797 9.731 78.677 -10.785 1.00 21.65 C ATOM 1630 O PHE A 797 10.511 78.873 -11.719 1.00 23.02 O ATOM 1631 CB PHE A 797 11.351 78.253 -8.944 1.00 18.59 C ATOM 1632 CG PHE A 797 11.631 77.580 -7.635 1.00 22.42 C ATOM 1633 CD1 PHE A 797 11.151 78.102 -6.457 1.00 19.45 C ATOM 1634 CD2 PHE A 797 12.397 76.436 -7.587 1.00 21.81 C ATOM 1635 CE1 PHE A 797 11.407 77.506 -5.270 1.00 22.73 C ATOM 1636 CE2 PHE A 797 12.662 75.830 -6.395 1.00 24.01 C ATOM 1637 CZ PHE A 797 12.173 76.353 -5.235 1.00 23.41 C ATOM 1638 H PHE A 797 11.266 76.280 -10.756 1.00 0.00 H ATOM 1639 N THR A 798 8.553 79.289 -10.674 1.00 16.10 N ATOM 1640 CA THR A 798 8.034 80.171 -11.700 1.00 16.57 C ATOM 1641 C THR A 798 7.357 81.329 -10.989 1.00 19.15 C ATOM 1642 O THR A 798 7.206 81.315 -9.778 1.00 17.62 O ATOM 1643 CB THR A 798 6.965 79.482 -12.530 1.00 20.17 C ATOM 1644 OG1 THR A 798 5.921 79.063 -11.669 1.00 18.54 O ATOM 1645 CG2 THR A 798 7.553 78.271 -13.261 1.00 19.91 C ATOM 1646 HG1 THR A 798 6.283 78.433 -10.996 1.00 0.00 H ATOM 1647 H THR A 798 7.984 79.128 -9.818 1.00 0.00 H ATOM 1648 N SER A 799 6.943 82.343 -11.746 1.00 17.75 N ATOM 1649 CA SER A 799 6.117 83.352 -11.099 1.00 16.03 C ATOM 1650 C SER A 799 4.854 82.739 -10.513 1.00 19.73 C ATOM 1651 O SER A 799 4.338 83.236 -9.517 1.00 19.44 O ATOM 1652 CB SER A 799 5.791 84.482 -12.064 1.00 16.84 C ATOM 1653 OG SER A 799 6.976 85.168 -12.356 1.00 17.69 O ATOM 1654 HG SER A 799 7.358 85.535 -11.520 1.00 0.00 H ATOM 1655 H SER A 799 7.198 82.411 -12.752 1.00 0.00 H ATOM 1656 N ALA A 800 4.378 81.628 -11.082 1.00 16.64 N ATOM 1657 CA ALA A 800 3.178 81.013 -10.529 1.00 15.54 C ATOM 1658 C ALA A 800 3.473 80.329 -9.209 1.00 19.22 C ATOM 1659 O ALA A 800 2.598 80.235 -8.359 1.00 17.27 O ATOM 1660 CB ALA A 800 2.540 80.020 -11.513 1.00 16.95 C ATOM 1661 H ALA A 800 4.856 81.209 -11.905 1.00 0.00 H ATOM 1662 N SER A 801 4.699 79.835 -9.015 1.00 17.37 N ATOM 1663 CA SER A 801 5.018 79.400 -7.672 1.00 16.81 C ATOM 1664 C SER A 801 5.182 80.583 -6.730 1.00 19.96 C ATOM 1665 O SER A 801 4.894 80.458 -5.542 1.00 16.68 O ATOM 1666 CB SER A 801 6.212 78.425 -7.637 1.00 14.98 C ATOM 1667 OG SER A 801 7.380 78.983 -8.152 1.00 16.93 O ATOM 1668 HG SER A 801 7.625 79.781 -7.620 1.00 0.00 H ATOM 1669 H SER A 801 5.389 79.766 -9.790 1.00 0.00 H ATOM 1670 N ASP A 802 5.622 81.740 -7.239 1.00 13.69 N ATOM 1671 CA ASP A 802 5.626 82.905 -6.364 1.00 15.68 C ATOM 1672 C ASP A 802 4.204 83.301 -6.003 1.00 16.16 C ATOM 1673 O ASP A 802 3.975 83.885 -4.946 1.00 15.63 O ATOM 1674 CB ASP A 802 6.274 84.111 -7.051 1.00 14.77 C ATOM 1675 CG ASP A 802 7.788 84.055 -7.074 1.00 21.61 C ATOM 1676 OD1 ASP A 802 8.383 83.289 -6.306 1.00 21.12 O ATOM 1677 OD2 ASP A 802 8.365 84.794 -7.889 1.00 18.80 O ATOM 1678 H ASP A 802 5.949 81.805 -8.224 1.00 0.00 H ATOM 1679 N VAL A 803 3.259 83.050 -6.898 1.00 14.97 N ATOM 1680 CA VAL A 803 1.867 83.359 -6.578 1.00 16.82 C ATOM 1681 C VAL A 803 1.404 82.504 -5.416 1.00 20.48 C ATOM 1682 O VAL A 803 0.740 82.987 -4.498 1.00 17.10 O ATOM 1683 CB VAL A 803 0.959 83.211 -7.815 1.00 18.65 C ATOM 1684 CG1 VAL A 803 -0.514 83.128 -7.421 1.00 14.82 C ATOM 1685 CG2 VAL A 803 1.157 84.390 -8.753 1.00 21.95 C ATOM 1686 H VAL A 803 3.506 82.637 -7.820 1.00 0.00 H ATOM 1687 N TRP A 804 1.794 81.225 -5.414 1.00 18.07 N ATOM 1688 CA TRP A 804 1.495 80.404 -4.256 1.00 16.53 C ATOM 1689 C TRP A 804 2.041 81.057 -2.995 1.00 16.66 C ATOM 1690 O TRP A 804 1.321 81.245 -2.011 1.00 17.28 O ATOM 1691 CB TRP A 804 2.084 78.991 -4.433 1.00 14.42 C ATOM 1692 CG TRP A 804 1.842 78.120 -3.231 1.00 15.00 C ATOM 1693 CD1 TRP A 804 2.416 78.233 -2.011 1.00 13.67 C ATOM 1694 CD2 TRP A 804 0.954 77.000 -3.154 1.00 16.54 C ATOM 1695 NE1 TRP A 804 1.949 77.247 -1.164 1.00 15.45 N ATOM 1696 CE2 TRP A 804 1.038 76.489 -1.847 1.00 21.25 C ATOM 1697 CE3 TRP A 804 0.112 76.384 -4.065 1.00 15.10 C ATOM 1698 CZ2 TRP A 804 0.294 75.392 -1.427 1.00 18.32 C ATOM 1699 CZ3 TRP A 804 -0.624 75.299 -3.646 1.00 16.85 C ATOM 1700 CH2 TRP A 804 -0.528 74.817 -2.345 1.00 15.94 C ATOM 1701 HE1 TRP A 804 2.240 77.105 -0.176 1.00 0.00 H ATOM 1702 H TRP A 804 2.303 80.826 -6.228 1.00 0.00 H ATOM 1703 N SER A 805 3.313 81.457 -3.030 1.00 14.37 N ATOM 1704 CA SER A 805 3.881 82.065 -1.841 1.00 13.91 C ATOM 1705 C SER A 805 3.096 83.316 -1.466 1.00 14.15 C ATOM 1706 O SER A 805 2.898 83.602 -0.296 1.00 15.02 O ATOM 1707 CB SER A 805 5.353 82.428 -2.084 1.00 16.21 C ATOM 1708 OG SER A 805 6.092 81.290 -2.533 1.00 14.38 O ATOM 1709 HG SER A 805 6.049 80.578 -1.847 1.00 0.00 H ATOM 1710 H SER A 805 3.885 81.336 -3.890 1.00 0.00 H ATOM 1711 N TYR A 806 2.649 84.059 -2.467 1.00 16.27 N ATOM 1712 CA TYR A 806 1.914 85.287 -2.168 1.00 15.33 C ATOM 1713 C TYR A 806 0.633 84.971 -1.415 1.00 12.90 C ATOM 1714 O TYR A 806 0.236 85.694 -0.505 1.00 14.80 O ATOM 1715 CB TYR A 806 1.599 86.038 -3.464 1.00 17.74 C ATOM 1716 CG TYR A 806 0.781 87.264 -3.174 1.00 17.58 C ATOM 1717 CD1 TYR A 806 1.384 88.420 -2.727 1.00 15.00 C ATOM 1718 CD2 TYR A 806 -0.580 87.237 -3.312 1.00 12.07 C ATOM 1719 CE1 TYR A 806 0.617 89.526 -2.426 1.00 18.57 C ATOM 1720 CE2 TYR A 806 -1.355 88.342 -3.019 1.00 12.55 C ATOM 1721 CZ TYR A 806 -0.749 89.476 -2.572 1.00 18.15 C ATOM 1722 OH TYR A 806 -1.529 90.571 -2.262 1.00 18.19 O ATOM 1723 HH TYR A 806 -0.949 91.311 -1.954 1.00 0.00 H ATOM 1724 H TYR A 806 2.818 83.773 -3.452 1.00 0.00 H ATOM 1725 N GLY A 807 -0.017 83.870 -1.764 1.00 13.47 N ATOM 1726 CA GLY A 807 -1.203 83.528 -1.012 1.00 15.02 C ATOM 1727 C GLY A 807 -0.867 83.231 0.428 1.00 15.05 C ATOM 1728 O GLY A 807 -1.657 83.507 1.321 1.00 14.09 O ATOM 1729 H GLY A 807 0.314 83.274 -2.550 1.00 0.00 H ATOM 1730 N ILE A 808 0.292 82.594 0.663 1.00 14.21 N ATOM 1731 CA ILE A 808 0.714 82.386 2.040 1.00 14.27 C ATOM 1732 C ILE A 808 0.936 83.724 2.721 1.00 15.61 C ATOM 1733 O ILE A 808 0.545 83.920 3.869 1.00 17.31 O ATOM 1734 CB ILE A 808 1.982 81.518 2.125 1.00 14.50 C ATOM 1735 CG1 ILE A 808 1.744 80.199 1.431 1.00 14.79 C ATOM 1736 CG2 ILE A 808 2.371 81.310 3.575 1.00 13.87 C ATOM 1737 CD1 ILE A 808 0.792 79.274 2.179 1.00 17.63 C ATOM 1738 H ILE A 808 0.878 82.255 -0.126 1.00 0.00 H ATOM 1739 N VAL A 809 1.582 84.660 2.022 1.00 13.49 N ATOM 1740 CA VAL A 809 1.742 85.994 2.602 1.00 11.71 C ATOM 1741 C VAL A 809 0.395 86.618 2.925 1.00 15.27 C ATOM 1742 O VAL A 809 0.241 87.262 3.961 1.00 16.78 O ATOM 1743 CB VAL A 809 2.559 86.911 1.683 1.00 14.27 C ATOM 1744 CG1 VAL A 809 2.577 88.323 2.287 1.00 14.30 C ATOM 1745 CG2 VAL A 809 3.939 86.390 1.540 1.00 14.44 C ATOM 1746 H VAL A 809 1.966 84.444 1.080 1.00 0.00 H ATOM 1747 N MET A 810 -0.597 86.444 2.045 1.00 13.10 N ATOM 1748 CA MET A 810 -1.918 86.989 2.361 1.00 14.32 C ATOM 1749 C MET A 810 -2.412 86.422 3.672 1.00 17.56 C ATOM 1750 O MET A 810 -3.000 87.126 4.491 1.00 15.14 O ATOM 1751 CB MET A 810 -2.944 86.636 1.289 1.00 12.88 C ATOM 1752 CG MET A 810 -2.705 87.221 -0.028 1.00 16.30 C ATOM 1753 SD MET A 810 -3.964 86.692 -1.227 1.00 15.54 S ATOM 1754 CE MET A 810 -5.424 87.575 -0.586 1.00 19.50 C ATOM 1755 H MET A 810 -0.433 85.932 1.155 1.00 0.00 H ATOM 1756 N TRP A 811 -2.199 85.124 3.874 1.00 15.54 N ATOM 1757 CA TRP A 811 -2.642 84.511 5.118 1.00 16.53 C ATOM 1758 C TRP A 811 -1.843 85.044 6.301 1.00 16.26 C ATOM 1759 O TRP A 811 -2.405 85.306 7.370 1.00 15.47 O ATOM 1760 CB TRP A 811 -2.510 82.986 4.993 1.00 16.50 C ATOM 1761 CG TRP A 811 -3.125 82.225 6.098 1.00 14.86 C ATOM 1762 CD1 TRP A 811 -4.383 81.699 6.117 1.00 15.70 C ATOM 1763 CD2 TRP A 811 -2.523 81.878 7.346 1.00 16.75 C ATOM 1764 NE1 TRP A 811 -4.608 81.044 7.310 1.00 17.46 N ATOM 1765 CE2 TRP A 811 -3.484 81.144 8.083 1.00 22.12 C ATOM 1766 CE3 TRP A 811 -1.268 82.113 7.924 1.00 16.32 C ATOM 1767 CZ2 TRP A 811 -3.223 80.650 9.348 1.00 18.65 C ATOM 1768 CZ3 TRP A 811 -1.025 81.637 9.172 1.00 20.49 C ATOM 1769 CH2 TRP A 811 -1.989 80.905 9.876 1.00 20.01 C ATOM 1770 HE1 TRP A 811 -5.486 80.555 7.577 1.00 0.00 H ATOM 1771 H TRP A 811 -1.720 84.552 3.149 1.00 0.00 H ATOM 1772 N GLU A 812 -0.529 85.231 6.121 1.00 12.76 N ATOM 1773 CA GLU A 812 0.263 85.766 7.213 1.00 13.69 C ATOM 1774 C GLU A 812 -0.225 87.146 7.584 1.00 19.67 C ATOM 1775 O GLU A 812 -0.275 87.494 8.759 1.00 19.46 O ATOM 1776 CB GLU A 812 1.727 85.899 6.787 1.00 14.32 C ATOM 1777 CG GLU A 812 2.416 84.572 6.613 1.00 17.79 C ATOM 1778 CD GLU A 812 3.889 84.749 6.303 1.00 22.58 C ATOM 1779 OE1 GLU A 812 4.703 84.652 7.221 1.00 21.58 O ATOM 1780 OE2 GLU A 812 4.201 85.009 5.144 1.00 21.08 O ATOM 1781 H GLU A 812 -0.083 84.996 5.212 1.00 0.00 H ATOM 1782 N VAL A 813 -0.545 87.954 6.583 1.00 16.09 N ATOM 1783 CA VAL A 813 -0.970 89.321 6.875 1.00 15.73 C ATOM 1784 C VAL A 813 -2.327 89.322 7.567 1.00 19.33 C ATOM 1785 O VAL A 813 -2.525 89.987 8.585 1.00 17.50 O ATOM 1786 CB VAL A 813 -0.970 90.176 5.597 1.00 16.31 C ATOM 1787 CG1 VAL A 813 -1.741 91.505 5.812 1.00 16.28 C ATOM 1788 CG2 VAL A 813 0.426 90.474 5.195 1.00 17.00 C ATOM 1789 H VAL A 813 -0.494 87.618 5.600 1.00 0.00 H ATOM 1790 N MET A 814 -3.285 88.572 7.034 1.00 22.85 N ATOM 1791 CA MET A 814 -4.606 88.613 7.651 1.00 20.03 C ATOM 1792 C MET A 814 -4.616 87.923 9.009 1.00 22.95 C ATOM 1793 O MET A 814 -5.569 88.094 9.771 1.00 17.57 O ATOM 1794 CB MET A 814 -5.656 88.008 6.727 1.00 17.79 C ATOM 1795 CG MET A 814 -5.714 88.634 5.372 1.00 16.88 C ATOM 1796 SD MET A 814 -5.845 90.463 5.453 1.00 20.02 S ATOM 1797 CE MET A 814 -7.460 90.619 6.208 1.00 24.94 C ATOM 1798 H MET A 814 -3.099 87.975 6.203 1.00 0.00 H ATOM 1799 N SER A 815 -3.579 87.136 9.313 1.00 16.96 N ATOM 1800 CA SER A 815 -3.404 86.540 10.625 1.00 17.97 C ATOM 1801 C SER A 815 -2.488 87.352 11.515 1.00 18.81 C ATOM 1802 O SER A 815 -2.069 86.861 12.558 1.00 17.95 O ATOM 1803 CB SER A 815 -2.807 85.137 10.489 1.00 17.80 C ATOM 1804 OG SER A 815 -3.618 84.402 9.614 1.00 26.73 O ATOM 1805 HG SER A 815 -3.641 84.851 8.732 1.00 0.00 H ATOM 1806 H SER A 815 -2.868 86.943 8.579 1.00 0.00 H ATOM 1807 N PHE A 816 -2.157 88.572 11.118 1.00 17.30 N ATOM 1808 CA PHE A 816 -1.257 89.407 11.901 1.00 18.16 C ATOM 1809 C PHE A 816 0.024 88.664 12.270 1.00 22.02 C ATOM 1810 O PHE A 816 0.477 88.697 13.405 1.00 21.69 O ATOM 1811 CB PHE A 816 -1.946 89.989 13.137 1.00 19.14 C ATOM 1812 CG PHE A 816 -2.904 91.092 12.823 1.00 16.57 C ATOM 1813 CD1 PHE A 816 -4.235 90.840 12.669 1.00 19.42 C ATOM 1814 CD2 PHE A 816 -2.455 92.393 12.698 1.00 20.68 C ATOM 1815 CE1 PHE A 816 -5.116 91.846 12.381 1.00 20.81 C ATOM 1816 CE2 PHE A 816 -3.338 93.415 12.419 1.00 18.89 C ATOM 1817 CZ PHE A 816 -4.664 93.150 12.259 1.00 18.44 C ATOM 1818 H PHE A 816 -2.548 88.941 10.228 1.00 0.00 H ATOM 1819 N GLY A 817 0.604 87.981 11.294 1.00 19.33 N ATOM 1820 CA GLY A 817 1.935 87.431 11.476 1.00 19.81 C ATOM 1821 C GLY A 817 2.006 86.079 12.156 1.00 19.82 C ATOM 1822 O GLY A 817 3.077 85.699 12.627 1.00 22.47 O ATOM 1823 H GLY A 817 0.104 87.838 10.394 1.00 0.00 H ATOM 1824 N GLU A 818 0.901 85.362 12.232 1.00 23.31 N ATOM 1825 CA GLU A 818 0.951 83.979 12.670 1.00 26.68 C ATOM 1826 C GLU A 818 1.825 83.184 11.712 1.00 27.38 C ATOM 1827 O GLU A 818 1.901 83.476 10.526 1.00 23.90 O ATOM 1828 CB GLU A 818 -0.462 83.400 12.677 1.00 27.45 C ATOM 1829 CG GLU A 818 -0.555 81.956 13.134 1.00 43.60 C ATOM 1830 CD GLU A 818 -0.259 81.796 14.612 1.00 54.69 C ATOM 1831 OE1 GLU A 818 -1.051 82.297 15.435 1.00 58.61 O ATOM 1832 OE2 GLU A 818 0.780 81.193 14.947 1.00 48.42 O ATOM 1833 H GLU A 818 -0.012 85.790 11.976 1.00 0.00 H ATOM 1834 N ARG A 819 2.485 82.167 12.236 1.00 30.04 N ATOM 1835 CA ARG A 819 3.307 81.327 11.390 1.00 28.95 C ATOM 1836 C ARG A 819 2.404 80.469 10.514 1.00 31.74 C ATOM 1837 O ARG A 819 1.451 79.872 11.018 1.00 38.01 O ATOM 1838 CB ARG A 819 4.180 80.444 12.268 1.00 30.55 C ATOM 1839 CG ARG A 819 5.156 79.582 11.513 1.00 30.36 C ATOM 1840 CD ARG A 819 5.891 78.644 12.442 1.00 33.82 C ATOM 1841 NE ARG A 819 7.037 78.037 11.781 1.00 35.83 N ATOM 1842 CZ ARG A 819 7.481 76.814 12.041 1.00 45.32 C ATOM 1843 NH1 ARG A 819 6.864 76.061 12.941 1.00 48.40 N ATOM 1844 NH2 ARG A 819 8.528 76.335 11.388 1.00 42.05 N ATOM 1845 HE ARG A 819 7.538 78.596 11.061 1.00 0.00 H ATOM 1846 HH12 ARG A 819 7.213 75.103 13.144 1.00 0.00 H ATOM 1847 HH11 ARG A 819 6.031 76.429 13.444 1.00 0.00 H ATOM 1848 HH22 ARG A 819 8.875 75.376 11.593 1.00 0.00 H ATOM 1849 HH21 ARG A 819 9.004 76.917 10.670 1.00 0.00 H ATOM 1850 H ARG A 819 2.414 81.970 13.255 1.00 0.00 H ATOM 1851 N PRO A 820 2.650 80.404 9.212 1.00 26.76 N ATOM 1852 CA PRO A 820 1.837 79.537 8.355 1.00 26.05 C ATOM 1853 C PRO A 820 1.909 78.109 8.858 1.00 27.28 C ATOM 1854 O PRO A 820 2.975 77.621 9.209 1.00 23.70 O ATOM 1855 CB PRO A 820 2.513 79.663 6.989 1.00 24.20 C ATOM 1856 CG PRO A 820 3.250 80.980 7.047 1.00 21.11 C ATOM 1857 CD PRO A 820 3.662 81.157 8.456 1.00 24.16 C ATOM 1858 N TYR A 821 0.756 77.453 8.909 1.00 23.15 N ATOM 1859 CA TYR A 821 0.641 76.070 9.369 1.00 25.60 C ATOM 1860 C TYR A 821 1.048 75.887 10.828 1.00 27.54 C ATOM 1861 O TYR A 821 1.360 74.781 11.243 1.00 29.38 O ATOM 1862 CB TYR A 821 1.367 75.078 8.452 1.00 20.75 C ATOM 1863 CG TYR A 821 1.052 75.256 6.986 1.00 20.87 C ATOM 1864 CD1 TYR A 821 -0.028 74.632 6.413 1.00 16.43 C ATOM 1865 CD2 TYR A 821 1.847 76.053 6.176 1.00 16.19 C ATOM 1866 CE1 TYR A 821 -0.318 74.787 5.087 1.00 14.28 C ATOM 1867 CE2 TYR A 821 1.557 76.226 4.859 1.00 16.82 C ATOM 1868 CZ TYR A 821 0.467 75.582 4.303 1.00 15.98 C ATOM 1869 OH TYR A 821 0.165 75.750 2.980 1.00 16.28 O ATOM 1870 HH TYR A 821 0.927 75.444 2.427 1.00 0.00 H ATOM 1871 H TYR A 821 -0.108 77.947 8.607 1.00 0.00 H ATOM 1872 N TRP A 822 1.052 76.956 11.615 1.00 27.79 N ATOM 1873 CA TRP A 822 1.161 76.861 13.076 1.00 33.94 C ATOM 1874 C TRP A 822 2.450 76.118 13.405 1.00 38.05 C ATOM 1875 O TRP A 822 3.498 76.437 12.820 1.00 36.74 O ATOM 1876 CB TRP A 822 -0.126 76.273 13.662 1.00 32.19 C ATOM 1877 CG TRP A 822 -1.386 76.813 13.034 1.00 34.33 C ATOM 1878 CD1 TRP A 822 -1.997 77.997 13.312 1.00 34.86 C ATOM 1879 CD2 TRP A 822 -2.177 76.185 12.021 1.00 31.93 C ATOM 1880 NE1 TRP A 822 -3.119 78.147 12.538 1.00 28.12 N ATOM 1881 CE2 TRP A 822 -3.246 77.049 11.732 1.00 30.26 C ATOM 1882 CE3 TRP A 822 -2.086 74.977 11.331 1.00 30.79 C ATOM 1883 CZ2 TRP A 822 -4.217 76.741 10.792 1.00 30.01 C ATOM 1884 CZ3 TRP A 822 -3.046 74.681 10.389 1.00 29.18 C ATOM 1885 CH2 TRP A 822 -4.097 75.558 10.128 1.00 29.11 C ATOM 1886 HE1 TRP A 822 -3.766 78.961 12.560 1.00 0.00 H ATOM 1887 H TRP A 822 0.975 77.897 11.180 1.00 0.00 H ATOM 1888 N ASP A 823 2.436 75.128 14.294 1.00 41.02 N ATOM 1889 CA ASP A 823 3.638 74.403 14.674 1.00 43.05 C ATOM 1890 C ASP A 823 3.795 73.084 13.927 1.00 42.35 C ATOM 1891 O ASP A 823 4.538 72.209 14.379 1.00 40.84 O ATOM 1892 CB ASP A 823 3.675 74.184 16.186 1.00 47.22 C ATOM 1893 CG ASP A 823 3.894 75.471 16.952 1.00 50.06 C ATOM 1894 OD1 ASP A 823 4.807 76.236 16.578 1.00 49.76 O ATOM 1895 OD2 ASP A 823 3.150 75.723 17.920 1.00 53.29 O ATOM 1896 H ASP A 823 1.532 74.863 14.734 1.00 0.00 H ATOM 1897 N MET A 824 3.112 72.923 12.797 1.00 34.54 N ATOM 1898 CA MET A 824 3.268 71.717 12.004 1.00 31.82 C ATOM 1899 C MET A 824 4.705 71.598 11.506 1.00 33.47 C ATOM 1900 O MET A 824 5.361 72.587 11.186 1.00 32.57 O ATOM 1901 CB MET A 824 2.313 71.744 10.810 1.00 29.20 C ATOM 1902 CG MET A 824 0.847 71.703 11.188 1.00 28.59 C ATOM 1903 SD MET A 824 -0.277 71.762 9.777 1.00 24.69 S ATOM 1904 CE MET A 824 0.327 70.438 8.748 1.00 25.39 C ATOM 1905 H MET A 824 2.460 73.668 12.479 1.00 0.00 H ATOM 1906 N SER A 825 5.195 70.367 11.439 1.00 34.98 N ATOM 1907 CA SER A 825 6.522 70.150 10.900 1.00 32.78 C ATOM 1908 C SER A 825 6.502 70.349 9.392 1.00 31.17 C ATOM 1909 O SER A 825 5.457 70.287 8.749 1.00 30.81 O ATOM 1910 CB SER A 825 6.969 68.721 11.174 1.00 33.17 C ATOM 1911 OG SER A 825 6.139 67.841 10.462 1.00 29.76 O ATOM 1912 HG SER A 825 5.202 67.962 10.757 1.00 0.00 H ATOM 1913 H SER A 825 4.629 69.561 11.772 1.00 0.00 H ATOM 1914 N ASN A 826 7.684 70.590 8.829 1.00 33.71 N ATOM 1915 CA ASN A 826 7.794 70.724 7.382 1.00 31.38 C ATOM 1916 C ASN A 826 7.223 69.504 6.673 1.00 30.14 C ATOM 1917 O ASN A 826 6.515 69.631 5.672 1.00 27.12 O ATOM 1918 CB ASN A 826 9.252 70.929 6.984 1.00 31.97 C ATOM 1919 CG ASN A 826 9.733 72.340 7.242 1.00 34.58 C ATOM 1920 OD1 ASN A 826 8.952 73.223 7.586 1.00 29.58 O ATOM 1921 ND2 ASN A 826 11.025 72.559 7.063 1.00 37.45 N ATOM 1922 HD22 ASN A 826 11.649 71.780 6.771 1.00 0.00 H ATOM 1923 HD21 ASN A 826 11.417 73.510 7.214 1.00 0.00 H ATOM 1924 H ASN A 826 8.532 70.683 9.424 1.00 0.00 H ATOM 1925 N GLN A 827 7.519 68.311 7.175 1.00 27.67 N ATOM 1926 CA GLN A 827 6.958 67.129 6.544 1.00 33.34 C ATOM 1927 C GLN A 827 5.442 67.129 6.646 1.00 30.04 C ATOM 1928 O GLN A 827 4.753 66.787 5.686 1.00 27.92 O ATOM 1929 CB GLN A 827 7.543 65.856 7.146 1.00 38.65 C ATOM 1930 CG GLN A 827 7.182 64.631 6.346 1.00 44.28 C ATOM 1931 CD GLN A 827 7.609 64.747 4.897 1.00 49.39 C ATOM 1932 OE1 GLN A 827 8.769 65.032 4.603 1.00 47.00 O ATOM 1933 NE2 GLN A 827 6.668 64.543 3.984 1.00 41.84 N ATOM 1934 HE22 GLN A 827 5.700 64.304 4.279 1.00 0.00 H ATOM 1935 HE21 GLN A 827 6.899 64.622 2.973 1.00 0.00 H ATOM 1936 H GLN A 827 8.141 68.224 8.004 1.00 0.00 H ATOM 1937 N ASP A 828 4.907 67.520 7.801 1.00 25.61 N ATOM 1938 CA ASP A 828 3.459 67.561 7.961 1.00 28.74 C ATOM 1939 C ASP A 828 2.827 68.532 6.972 1.00 26.93 C ATOM 1940 O ASP A 828 1.734 68.280 6.457 1.00 21.35 O ATOM 1941 CB ASP A 828 3.103 67.949 9.391 1.00 34.84 C ATOM 1942 CG ASP A 828 3.250 66.800 10.365 1.00 38.73 C ATOM 1943 OD1 ASP A 828 3.235 65.640 9.927 1.00 33.69 O ATOM 1944 OD2 ASP A 828 3.369 67.067 11.572 1.00 44.06 O ATOM 1945 H ASP A 828 5.524 67.797 8.591 1.00 0.00 H ATOM 1946 N VAL A 829 3.504 69.650 6.702 1.00 25.84 N ATOM 1947 CA VAL A 829 2.978 70.634 5.761 1.00 25.64 C ATOM 1948 C VAL A 829 2.954 70.073 4.353 1.00 22.08 C ATOM 1949 O VAL A 829 1.987 70.250 3.615 1.00 21.05 O ATOM 1950 CB VAL A 829 3.797 71.935 5.835 1.00 20.50 C ATOM 1951 CG1 VAL A 829 3.432 72.852 4.703 1.00 18.23 C ATOM 1952 CG2 VAL A 829 3.567 72.595 7.163 1.00 20.87 C ATOM 1953 H VAL A 829 4.418 69.822 7.168 1.00 0.00 H ATOM 1954 N ILE A 830 4.041 69.422 3.942 1.00 23.81 N ATOM 1955 CA ILE A 830 4.080 68.835 2.612 1.00 23.80 C ATOM 1956 C ILE A 830 2.965 67.815 2.454 1.00 24.12 C ATOM 1957 O ILE A 830 2.259 67.793 1.451 1.00 23.48 O ATOM 1958 CB ILE A 830 5.449 68.195 2.336 1.00 26.88 C ATOM 1959 CG1 ILE A 830 6.551 69.250 2.333 1.00 25.74 C ATOM 1960 CG2 ILE A 830 5.397 67.456 1.025 1.00 25.86 C ATOM 1961 CD1 ILE A 830 7.926 68.651 2.219 1.00 30.18 C ATOM 1962 H ILE A 830 4.863 69.333 4.573 1.00 0.00 H ATOM 1963 N ASN A 831 2.808 66.949 3.444 1.00 25.26 N ATOM 1964 CA ASN A 831 1.786 65.913 3.337 1.00 28.09 C ATOM 1965 C ASN A 831 0.391 66.518 3.318 1.00 26.37 C ATOM 1966 O ASN A 831 -0.469 66.092 2.540 1.00 23.55 O ATOM 1967 CB ASN A 831 1.924 64.924 4.485 1.00 32.68 C ATOM 1968 CG ASN A 831 3.270 64.223 4.501 1.00 46.58 C ATOM 1969 OD1 ASN A 831 3.945 64.115 3.481 1.00 44.21 O ATOM 1970 ND2 ASN A 831 3.657 63.730 5.668 1.00 47.97 N ATOM 1971 HD22 ASN A 831 3.053 63.845 6.507 1.00 0.00 H ATOM 1972 HD21 ASN A 831 4.565 63.228 5.745 1.00 0.00 H ATOM 1973 H ASN A 831 3.409 67.007 4.291 1.00 0.00 H ATOM 1974 N ALA A 832 0.153 67.514 4.168 1.00 21.83 N ATOM 1975 CA ALA A 832 -1.149 68.168 4.191 1.00 24.61 C ATOM 1976 C ALA A 832 -1.477 68.785 2.838 1.00 25.43 C ATOM 1977 O ALA A 832 -2.574 68.606 2.311 1.00 26.51 O ATOM 1978 CB ALA A 832 -1.168 69.238 5.281 1.00 21.78 C ATOM 1979 H ALA A 832 0.901 67.827 4.820 1.00 0.00 H ATOM 1980 N ILE A 833 -0.529 69.526 2.266 1.00 22.72 N ATOM 1981 CA ILE A 833 -0.763 70.151 0.969 1.00 25.30 C ATOM 1982 C ILE A 833 -1.030 69.104 -0.101 1.00 35.38 C ATOM 1983 O ILE A 833 -1.888 69.284 -0.971 1.00 23.22 O ATOM 1984 CB ILE A 833 0.441 71.034 0.604 1.00 27.34 C ATOM 1985 CG1 ILE A 833 0.475 72.246 1.519 1.00 25.40 C ATOM 1986 CG2 ILE A 833 0.428 71.375 -0.852 1.00 23.85 C ATOM 1987 CD1 ILE A 833 -0.844 72.854 1.767 1.00 31.54 C ATOM 1988 H ILE A 833 0.383 69.660 2.747 1.00 0.00 H ATOM 1989 N GLU A 834 -0.283 68.004 -0.072 1.00 26.66 N ATOM 1990 CA GLU A 834 -0.512 66.976 -1.072 1.00 35.09 C ATOM 1991 C GLU A 834 -1.897 66.365 -0.931 1.00 29.77 C ATOM 1992 O GLU A 834 -2.488 65.938 -1.924 1.00 30.24 O ATOM 1993 CB GLU A 834 0.590 65.930 -1.007 1.00 34.88 C ATOM 1994 CG GLU A 834 1.885 66.453 -1.577 1.00 42.14 C ATOM 1995 CD GLU A 834 1.737 66.869 -3.026 1.00 48.90 C ATOM 1996 OE1 GLU A 834 1.133 66.104 -3.802 1.00 54.94 O ATOM 1997 OE2 GLU A 834 2.207 67.962 -3.390 1.00 45.99 O ATOM 1998 H GLU A 834 0.452 67.882 0.654 1.00 0.00 H ATOM 1999 N GLN A 835 -2.433 66.353 0.278 1.00 23.65 N ATOM 2000 CA GLN A 835 -3.779 65.863 0.524 1.00 28.19 C ATOM 2001 C GLN A 835 -4.836 66.930 0.304 1.00 32.15 C ATOM 2002 O GLN A 835 -5.977 66.756 0.738 1.00 32.24 O ATOM 2003 CB GLN A 835 -3.880 65.285 1.932 1.00 28.03 C ATOM 2004 CG GLN A 835 -3.020 64.048 2.138 1.00 31.65 C ATOM 2005 CD GLN A 835 -2.808 63.731 3.591 1.00 37.95 C ATOM 2006 OE1 GLN A 835 -3.262 64.460 4.465 1.00 44.55 O ATOM 2007 NE2 GLN A 835 -2.133 62.631 3.863 1.00 37.80 N ATOM 2008 HE22 GLN A 835 -1.766 62.042 3.089 1.00 0.00 H ATOM 2009 HE21 GLN A 835 -1.968 62.353 4.852 1.00 0.00 H ATOM 2010 H GLN A 835 -1.872 66.706 1.080 1.00 0.00 H ATOM 2011 N ASP A 836 -4.461 68.027 -0.349 1.00 24.86 N ATOM 2012 CA ASP A 836 -5.342 69.106 -0.780 1.00 26.37 C ATOM 2013 C ASP A 836 -5.855 69.967 0.360 1.00 19.05 C ATOM 2014 O ASP A 836 -6.795 70.727 0.161 1.00 18.83 O ATOM 2015 CB ASP A 836 -6.489 68.634 -1.681 1.00 27.66 C ATOM 2016 CG ASP A 836 -5.999 67.855 -2.888 1.00 32.11 C ATOM 2017 OD1 ASP A 836 -5.021 68.278 -3.522 1.00 32.45 O ATOM 2018 OD2 ASP A 836 -6.606 66.822 -3.209 1.00 36.85 O ATOM 2019 H ASP A 836 -3.450 68.123 -0.572 1.00 0.00 H ATOM 2020 N TYR A 837 -5.263 69.872 1.545 1.00 18.05 N ATOM 2021 CA TYR A 837 -5.632 70.776 2.618 1.00 18.83 C ATOM 2022 C TYR A 837 -5.077 72.159 2.321 1.00 19.61 C ATOM 2023 O TYR A 837 -4.074 72.300 1.631 1.00 20.42 O ATOM 2024 CB TYR A 837 -5.085 70.288 3.954 1.00 19.66 C ATOM 2025 CG TYR A 837 -5.770 69.036 4.436 1.00 22.56 C ATOM 2026 CD1 TYR A 837 -7.046 69.083 4.947 1.00 22.99 C ATOM 2027 CD2 TYR A 837 -5.137 67.810 4.373 1.00 22.28 C ATOM 2028 CE1 TYR A 837 -7.683 67.936 5.376 1.00 23.25 C ATOM 2029 CE2 TYR A 837 -5.776 66.651 4.804 1.00 23.90 C ATOM 2030 CZ TYR A 837 -7.045 66.727 5.304 1.00 23.61 C ATOM 2031 OH TYR A 837 -7.683 65.570 5.734 1.00 19.59 O ATOM 2032 HH TYR A 837 -7.158 65.157 6.464 1.00 0.00 H ATOM 2033 H TYR A 837 -4.533 69.148 1.704 1.00 0.00 H ATOM 2034 N ARG A 838 -5.768 73.178 2.829 1.00 18.29 N ATOM 2035 CA ARG A 838 -5.367 74.568 2.627 1.00 20.13 C ATOM 2036 C ARG A 838 -5.645 75.364 3.894 1.00 22.39 C ATOM 2037 O ARG A 838 -6.618 75.104 4.600 1.00 22.23 O ATOM 2038 CB ARG A 838 -6.129 75.190 1.462 1.00 15.56 C ATOM 2039 CG ARG A 838 -5.890 74.522 0.120 1.00 16.96 C ATOM 2040 CD ARG A 838 -4.452 74.657 -0.324 1.00 17.94 C ATOM 2041 NE ARG A 838 -4.246 74.265 -1.711 1.00 19.23 N ATOM 2042 CZ ARG A 838 -3.746 73.097 -2.087 1.00 24.07 C ATOM 2043 NH1 ARG A 838 -3.430 72.189 -1.176 1.00 22.15 N ATOM 2044 NH2 ARG A 838 -3.568 72.845 -3.369 1.00 18.03 N ATOM 2045 HE ARG A 838 -4.508 74.945 -2.453 1.00 0.00 H ATOM 2046 HH12 ARG A 838 -3.037 71.272 -1.470 1.00 0.00 H ATOM 2047 HH11 ARG A 838 -3.574 72.393 -0.166 1.00 0.00 H ATOM 2048 HH22 ARG A 838 -3.176 71.930 -3.670 1.00 0.00 H ATOM 2049 HH21 ARG A 838 -3.820 73.561 -4.080 1.00 0.00 H ATOM 2050 H ARG A 838 -6.622 72.977 3.388 1.00 0.00 H ATOM 2051 N LEU A 839 -4.796 76.350 4.173 1.00 17.12 N ATOM 2052 CA LEU A 839 -4.970 77.112 5.397 1.00 17.99 C ATOM 2053 C LEU A 839 -6.354 77.751 5.415 1.00 17.32 C ATOM 2054 O LEU A 839 -6.811 78.244 4.397 1.00 17.13 O ATOM 2055 CB LEU A 839 -3.913 78.211 5.496 1.00 18.76 C ATOM 2056 CG LEU A 839 -2.502 77.684 5.762 1.00 18.92 C ATOM 2057 CD1 LEU A 839 -1.450 78.764 5.432 1.00 16.87 C ATOM 2058 CD2 LEU A 839 -2.326 77.273 7.181 1.00 17.70 C ATOM 2059 H LEU A 839 -4.016 76.572 3.522 1.00 0.00 H ATOM 2060 N PRO A 840 -7.031 77.742 6.555 1.00 17.08 N ATOM 2061 CA PRO A 840 -8.406 78.211 6.621 1.00 18.06 C ATOM 2062 C PRO A 840 -8.441 79.718 6.807 1.00 24.29 C ATOM 2063 O PRO A 840 -7.402 80.346 7.037 1.00 21.27 O ATOM 2064 CB PRO A 840 -8.931 77.504 7.876 1.00 20.36 C ATOM 2065 CG PRO A 840 -7.751 77.383 8.736 1.00 19.78 C ATOM 2066 CD PRO A 840 -6.583 77.172 7.830 1.00 16.56 C ATOM 2067 N PRO A 841 -9.612 80.338 6.728 1.00 23.60 N ATOM 2068 CA PRO A 841 -9.668 81.790 6.850 1.00 22.02 C ATOM 2069 C PRO A 841 -9.238 82.227 8.234 1.00 24.75 C ATOM 2070 O PRO A 841 -9.710 81.702 9.245 1.00 24.30 O ATOM 2071 CB PRO A 841 -11.145 82.125 6.590 1.00 23.19 C ATOM 2072 CG PRO A 841 -11.856 80.870 6.688 1.00 26.08 C ATOM 2073 CD PRO A 841 -10.924 79.765 6.398 1.00 19.84 C ATOM 2074 N PRO A 842 -8.314 83.171 8.323 1.00 25.39 N ATOM 2075 CA PRO A 842 -7.937 83.714 9.622 1.00 27.03 C ATOM 2076 C PRO A 842 -9.128 84.384 10.284 1.00 25.28 C ATOM 2077 O PRO A 842 -10.100 84.733 9.608 1.00 21.66 O ATOM 2078 CB PRO A 842 -6.864 84.748 9.258 1.00 24.80 C ATOM 2079 CG PRO A 842 -6.312 84.267 7.962 1.00 23.24 C ATOM 2080 CD PRO A 842 -7.458 83.654 7.232 1.00 19.83 C ATOM 2081 N PRO A 843 -9.091 84.578 11.599 1.00 28.46 N ATOM 2082 CA PRO A 843 -10.200 85.262 12.269 1.00 31.09 C ATOM 2083 C PRO A 843 -10.472 86.609 11.620 1.00 31.44 C ATOM 2084 O PRO A 843 -9.554 87.351 11.281 1.00 27.92 O ATOM 2085 CB PRO A 843 -9.699 85.427 13.706 1.00 28.83 C ATOM 2086 CG PRO A 843 -8.660 84.378 13.873 1.00 31.86 C ATOM 2087 CD PRO A 843 -8.016 84.214 12.533 1.00 32.88 C ATOM 2088 N ASP A 844 -11.749 86.898 11.406 1.00 29.32 N ATOM 2089 CA ASP A 844 -12.212 88.162 10.851 1.00 34.10 C ATOM 2090 C ASP A 844 -11.820 88.357 9.396 1.00 37.69 C ATOM 2091 O ASP A 844 -12.007 89.447 8.858 1.00 39.49 O ATOM 2092 CB ASP A 844 -11.772 89.364 11.697 1.00 38.55 C ATOM 2093 CG ASP A 844 -12.114 89.196 13.165 1.00 44.36 C ATOM 2094 OD1 ASP A 844 -13.277 88.866 13.465 1.00 42.10 O ATOM 2095 OD2 ASP A 844 -11.227 89.388 14.017 1.00 45.49 O ATOM 2096 H ASP A 844 -12.461 86.180 11.649 1.00 0.00 H ATOM 2097 N CYS A 845 -11.295 87.336 8.738 1.00 29.41 N ATOM 2098 CA CYS A 845 -10.867 87.517 7.365 1.00 24.71 C ATOM 2099 C CYS A 845 -12.071 87.550 6.430 1.00 27.53 C ATOM 2100 O CYS A 845 -12.907 86.645 6.473 1.00 29.45 O ATOM 2101 CB CYS A 845 -9.926 86.396 6.955 1.00 24.07 C ATOM 2102 SG CYS A 845 -9.250 86.652 5.330 1.00 23.09 S ATOM 2103 H CYS A 845 -11.190 86.411 9.202 1.00 0.00 H ATOM 2104 N PRO A 846 -12.196 88.576 5.593 1.00 31.41 N ATOM 2105 CA PRO A 846 -13.261 88.590 4.588 1.00 28.52 C ATOM 2106 C PRO A 846 -13.209 87.342 3.723 1.00 28.93 C ATOM 2107 O PRO A 846 -12.144 86.893 3.317 1.00 21.13 O ATOM 2108 CB PRO A 846 -12.942 89.835 3.758 1.00 29.96 C ATOM 2109 CG PRO A 846 -12.136 90.695 4.646 1.00 32.67 C ATOM 2110 CD PRO A 846 -11.388 89.808 5.573 1.00 27.50 C ATOM 2111 N THR A 847 -14.384 86.809 3.404 1.00 25.13 N ATOM 2112 CA THR A 847 -14.427 85.589 2.610 1.00 27.46 C ATOM 2113 C THR A 847 -13.795 85.787 1.242 1.00 25.12 C ATOM 2114 O THR A 847 -13.126 84.889 0.722 1.00 23.85 O ATOM 2115 CB THR A 847 -15.872 85.121 2.480 1.00 30.77 C ATOM 2116 OG1 THR A 847 -16.348 84.751 3.771 1.00 31.29 O ATOM 2117 CG2 THR A 847 -15.953 83.938 1.542 1.00 31.17 C ATOM 2118 HG1 THR A 847 -17.287 84.445 3.700 1.00 0.00 H ATOM 2119 H THR A 847 -15.267 87.260 3.719 1.00 0.00 H ATOM 2120 N SER A 848 -13.974 86.964 0.652 1.00 24.70 N ATOM 2121 CA SER A 848 -13.409 87.221 -0.664 1.00 23.18 C ATOM 2122 C SER A 848 -11.883 87.175 -0.643 1.00 25.98 C ATOM 2123 O SER A 848 -11.266 86.802 -1.639 1.00 23.39 O ATOM 2124 CB SER A 848 -13.886 88.578 -1.167 1.00 27.50 C ATOM 2125 OG SER A 848 -13.387 89.606 -0.344 1.00 31.08 O ATOM 2126 HG SER A 848 -13.710 89.472 0.582 1.00 0.00 H ATOM 2127 H SER A 848 -14.521 87.706 1.134 1.00 0.00 H ATOM 2128 N LEU A 849 -11.264 87.568 0.469 1.00 22.31 N ATOM 2129 CA LEU A 849 -9.813 87.484 0.581 1.00 19.62 C ATOM 2130 C LEU A 849 -9.348 86.045 0.729 1.00 24.46 C ATOM 2131 O LEU A 849 -8.329 85.657 0.155 1.00 21.21 O ATOM 2132 CB LEU A 849 -9.330 88.298 1.776 1.00 25.02 C ATOM 2133 CG LEU A 849 -9.143 89.779 1.497 1.00 27.30 C ATOM 2134 CD1 LEU A 849 -8.846 90.484 2.792 1.00 29.74 C ATOM 2135 CD2 LEU A 849 -8.006 89.960 0.527 1.00 20.80 C ATOM 2136 H LEU A 849 -11.821 87.938 1.265 1.00 0.00 H ATOM 2137 N HIS A 850 -10.061 85.248 1.520 1.00 23.48 N ATOM 2138 CA HIS A 850 -9.654 83.853 1.648 1.00 20.67 C ATOM 2139 C HIS A 850 -9.833 83.108 0.332 1.00 20.97 C ATOM 2140 O HIS A 850 -9.014 82.251 -0.024 1.00 19.23 O ATOM 2141 CB HIS A 850 -10.403 83.166 2.779 1.00 24.46 C ATOM 2142 CG HIS A 850 -9.937 81.766 3.014 1.00 27.24 C ATOM 2143 ND1 HIS A 850 -10.716 80.667 2.742 1.00 20.83 N ATOM 2144 CD2 HIS A 850 -8.746 81.291 3.445 1.00 21.12 C ATOM 2145 CE1 HIS A 850 -10.035 79.573 3.025 1.00 23.34 C ATOM 2146 NE2 HIS A 850 -8.839 79.922 3.457 1.00 21.49 N ATOM 2147 H HIS A 850 -10.889 85.611 2.035 1.00 0.00 H ATOM 2148 N GLN A 851 -10.899 83.416 -0.405 1.00 19.71 N ATOM 2149 CA GLN A 851 -11.047 82.806 -1.720 1.00 23.59 C ATOM 2150 C GLN A 851 -9.881 83.169 -2.622 1.00 22.18 C ATOM 2151 O GLN A 851 -9.387 82.329 -3.376 1.00 22.29 O ATOM 2152 CB GLN A 851 -12.358 83.219 -2.378 1.00 21.03 C ATOM 2153 CG GLN A 851 -12.596 82.555 -3.718 1.00 25.71 C ATOM 2154 CD GLN A 851 -12.638 81.038 -3.612 1.00 30.32 C ATOM 2155 OE1 GLN A 851 -13.415 80.484 -2.838 1.00 32.68 O ATOM 2156 NE2 GLN A 851 -11.795 80.363 -4.387 1.00 23.62 N ATOM 2157 HE22 GLN A 851 -11.155 80.874 -5.028 1.00 0.00 H ATOM 2158 HE21 GLN A 851 -11.776 79.324 -4.353 1.00 0.00 H ATOM 2159 H GLN A 851 -11.614 84.081 -0.048 1.00 0.00 H ATOM 2160 N LEU A 852 -9.433 84.424 -2.565 1.00 19.97 N ATOM 2161 CA LEU A 852 -8.260 84.803 -3.346 1.00 19.26 C ATOM 2162 C LEU A 852 -7.043 83.984 -2.928 1.00 18.34 C ATOM 2163 O LEU A 852 -6.265 83.556 -3.779 1.00 22.43 O ATOM 2164 CB LEU A 852 -7.984 86.306 -3.221 1.00 16.44 C ATOM 2165 CG LEU A 852 -6.869 86.839 -4.123 1.00 17.33 C ATOM 2166 CD1 LEU A 852 -7.042 86.453 -5.573 1.00 15.79 C ATOM 2167 CD2 LEU A 852 -6.814 88.367 -3.987 1.00 15.65 C ATOM 2168 H LEU A 852 -9.916 85.127 -1.969 1.00 0.00 H ATOM 2169 N MET A 853 -6.874 83.743 -1.624 1.00 18.35 N ATOM 2170 CA MET A 853 -5.819 82.836 -1.179 1.00 21.56 C ATOM 2171 C MET A 853 -6.000 81.464 -1.808 1.00 18.42 C ATOM 2172 O MET A 853 -5.047 80.863 -2.305 1.00 16.62 O ATOM 2173 CB MET A 853 -5.834 82.694 0.341 1.00 17.08 C ATOM 2174 CG MET A 853 -5.623 83.995 1.091 1.00 15.47 C ATOM 2175 SD MET A 853 -5.772 83.703 2.875 1.00 19.13 S ATOM 2176 CE MET A 853 -6.094 85.405 3.433 1.00 18.98 C ATOM 2177 H MET A 853 -7.494 84.201 -0.926 1.00 0.00 H ATOM 2178 N LEU A 854 -7.222 80.948 -1.769 1.00 15.50 N ATOM 2179 CA LEU A 854 -7.428 79.615 -2.325 1.00 22.39 C ATOM 2180 C LEU A 854 -7.123 79.599 -3.807 1.00 20.42 C ATOM 2181 O LEU A 854 -6.647 78.590 -4.335 1.00 19.95 O ATOM 2182 CB LEU A 854 -8.863 79.141 -2.078 1.00 22.19 C ATOM 2183 CG LEU A 854 -9.249 78.893 -0.631 1.00 18.01 C ATOM 2184 CD1 LEU A 854 -10.727 78.516 -0.538 1.00 23.33 C ATOM 2185 CD2 LEU A 854 -8.402 77.801 -0.024 1.00 16.01 C ATOM 2186 H LEU A 854 -8.013 81.480 -1.353 1.00 0.00 H ATOM 2187 N ASP A 855 -7.397 80.704 -4.498 1.00 16.65 N ATOM 2188 CA ASP A 855 -7.065 80.759 -5.914 1.00 19.37 C ATOM 2189 C ASP A 855 -5.557 80.688 -6.100 1.00 19.76 C ATOM 2190 O ASP A 855 -5.066 80.058 -7.037 1.00 18.83 O ATOM 2191 CB ASP A 855 -7.585 82.054 -6.553 1.00 17.54 C ATOM 2192 CG ASP A 855 -9.105 82.189 -6.509 1.00 30.27 C ATOM 2193 OD1 ASP A 855 -9.808 81.185 -6.325 1.00 30.78 O ATOM 2194 OD2 ASP A 855 -9.589 83.330 -6.653 1.00 27.39 O ATOM 2195 H ASP A 855 -7.843 81.519 -4.031 1.00 0.00 H ATOM 2196 N CYS A 856 -4.812 81.360 -5.226 1.00 16.65 N ATOM 2197 CA CYS A 856 -3.366 81.325 -5.357 1.00 16.51 C ATOM 2198 C CYS A 856 -2.811 79.957 -5.059 1.00 17.95 C ATOM 2199 O CYS A 856 -1.678 79.701 -5.422 1.00 16.29 O ATOM 2200 CB CYS A 856 -2.679 82.265 -4.380 1.00 18.33 C ATOM 2201 SG CYS A 856 -3.063 84.043 -4.667 1.00 16.75 S ATOM 2202 H CYS A 856 -5.259 81.903 -4.460 1.00 0.00 H ATOM 2203 N TRP A 857 -3.560 79.117 -4.342 1.00 16.86 N ATOM 2204 CA TRP A 857 -3.087 77.795 -3.936 1.00 20.19 C ATOM 2205 C TRP A 857 -3.677 76.666 -4.769 1.00 19.47 C ATOM 2206 O TRP A 857 -3.742 75.533 -4.296 1.00 21.46 O ATOM 2207 CB TRP A 857 -3.392 77.522 -2.469 1.00 15.93 C ATOM 2208 CG TRP A 857 -2.787 78.496 -1.513 1.00 16.49 C ATOM 2209 CD1 TRP A 857 -1.593 79.166 -1.645 1.00 14.68 C ATOM 2210 CD2 TRP A 857 -3.360 78.938 -0.278 1.00 16.44 C ATOM 2211 NE1 TRP A 857 -1.388 79.980 -0.555 1.00 13.49 N ATOM 2212 CE2 TRP A 857 -2.456 79.850 0.301 1.00 16.92 C ATOM 2213 CE3 TRP A 857 -4.541 78.640 0.401 1.00 13.38 C ATOM 2214 CZ2 TRP A 857 -2.720 80.479 1.518 1.00 16.57 C ATOM 2215 CZ3 TRP A 857 -4.784 79.247 1.606 1.00 18.64 C ATOM 2216 CH2 TRP A 857 -3.876 80.164 2.154 1.00 16.35 C ATOM 2217 HE1 TRP A 857 -0.561 80.593 -0.404 1.00 0.00 H ATOM 2218 H TRP A 857 -4.516 79.414 -4.062 1.00 0.00 H ATOM 2219 N GLN A 858 -4.115 76.945 -5.989 1.00 38.79 N ATOM 2220 CA GLN A 858 -4.573 75.863 -6.843 1.00 23.86 C ATOM 2221 C GLN A 858 -3.403 74.950 -7.184 1.00 26.49 C ATOM 2222 O GLN A 858 -2.282 75.411 -7.417 1.00 24.13 O ATOM 2223 CB GLN A 858 -5.227 76.420 -8.103 1.00 33.45 C ATOM 2224 CG GLN A 858 -6.640 76.915 -7.850 1.00 30.86 C ATOM 2225 CD GLN A 858 -7.252 77.593 -9.052 1.00 33.55 C ATOM 2226 OE1 GLN A 858 -7.064 78.789 -9.263 1.00 34.27 O ATOM 2227 NE2 GLN A 858 -7.998 76.834 -9.845 1.00 35.55 N ATOM 2228 HE22 GLN A 858 -8.129 75.826 -9.627 1.00 0.00 H ATOM 2229 HE21 GLN A 858 -8.451 77.248 -10.685 1.00 0.00 H ATOM 2230 H GLN A 858 -4.130 77.927 -6.331 1.00 0.00 H ATOM 2231 N LYS A 859 -3.665 73.642 -7.172 1.00 24.19 N ATOM 2232 CA LYS A 859 -2.606 72.677 -7.431 1.00 21.31 C ATOM 2233 C LYS A 859 -2.049 72.862 -8.831 1.00 27.02 C ATOM 2234 O LYS A 859 -0.830 72.841 -9.037 1.00 21.68 O ATOM 2235 CB LYS A 859 -3.166 71.268 -7.266 1.00 25.52 C ATOM 2236 CG LYS A 859 -2.145 70.157 -7.356 1.00 30.61 C ATOM 2237 CD LYS A 859 -2.856 68.800 -7.243 1.00 40.15 C ATOM 2238 CE LYS A 859 -1.918 67.630 -7.474 1.00 44.79 C ATOM 2239 NZ LYS A 859 -0.663 67.765 -6.704 1.00 45.22 N ATOM 2240 HZ1 LYS A 859 -0.173 68.636 -6.992 1.00 0.00 H ATOM 2241 HZ2 LYS A 859 -0.884 67.809 -5.689 1.00 0.00 H ATOM 2242 HZ3 LYS A 859 -0.052 66.944 -6.892 1.00 0.00 H ATOM 2243 H LYS A 859 -4.631 73.310 -6.977 1.00 0.00 H ATOM 2244 N ASP A 860 -2.931 73.046 -9.808 1.00 26.87 N ATOM 2245 CA ASP A 860 -2.506 73.308 -11.176 1.00 31.25 C ATOM 2246 C ASP A 860 -1.966 74.724 -11.233 1.00 20.36 C ATOM 2247 O ASP A 860 -2.727 75.680 -11.105 1.00 19.14 O ATOM 2248 CB ASP A 860 -3.691 73.159 -12.126 1.00 26.53 C ATOM 2249 CG ASP A 860 -3.316 73.384 -13.580 1.00 29.87 C ATOM 2250 OD1 ASP A 860 -2.171 73.746 -13.874 1.00 32.46 O ATOM 2251 OD2 ASP A 860 -4.181 73.198 -14.444 1.00 35.76 O ATOM 2252 H ASP A 860 -3.947 73.002 -9.591 1.00 0.00 H ATOM 2253 N ARG A 861 -0.663 74.869 -11.453 1.00 18.25 N ATOM 2254 CA ARG A 861 -0.091 76.207 -11.362 1.00 18.54 C ATOM 2255 C ARG A 861 -0.636 77.127 -12.441 1.00 20.27 C ATOM 2256 O ARG A 861 -0.684 78.346 -12.254 1.00 19.66 O ATOM 2257 CB ARG A 861 1.436 76.153 -11.403 1.00 18.52 C ATOM 2258 CG ARG A 861 2.020 76.150 -12.773 1.00 17.49 C ATOM 2259 CD ARG A 861 3.519 76.247 -12.678 1.00 16.30 C ATOM 2260 NE ARG A 861 4.148 76.434 -13.966 1.00 18.72 N ATOM 2261 CZ ARG A 861 4.674 75.448 -14.686 1.00 23.52 C ATOM 2262 NH1 ARG A 861 4.646 74.197 -14.247 1.00 21.04 N ATOM 2263 NH2 ARG A 861 5.246 75.718 -15.847 1.00 27.42 N ATOM 2264 HE ARG A 861 4.192 77.398 -14.353 1.00 0.00 H ATOM 2265 HH12 ARG A 861 5.061 73.435 -14.820 1.00 0.00 H ATOM 2266 HH11 ARG A 861 4.209 73.978 -13.329 1.00 0.00 H ATOM 2267 HH22 ARG A 861 5.659 74.950 -16.414 1.00 0.00 H ATOM 2268 HH21 ARG A 861 5.283 76.698 -16.193 1.00 0.00 H ATOM 2269 H ARG A 861 -0.067 74.049 -11.684 1.00 0.00 H ATOM 2270 N ASN A 862 -1.080 76.563 -13.560 1.00 23.81 N ATOM 2271 CA ASN A 862 -1.625 77.378 -14.634 1.00 27.53 C ATOM 2272 C ASN A 862 -3.000 77.929 -14.295 1.00 27.11 C ATOM 2273 O ASN A 862 -3.478 78.827 -14.995 1.00 25.05 O ATOM 2274 CB ASN A 862 -1.730 76.573 -15.930 1.00 28.65 C ATOM 2275 CG ASN A 862 -0.389 76.180 -16.481 1.00 33.07 C ATOM 2276 OD1 ASN A 862 0.558 76.942 -16.420 1.00 37.20 O ATOM 2277 ND2 ASN A 862 -0.313 74.992 -17.061 1.00 39.01 N ATOM 2278 HD22 ASN A 862 -1.148 74.373 -17.090 1.00 0.00 H ATOM 2279 HD21 ASN A 862 0.582 74.678 -17.488 1.00 0.00 H ATOM 2280 H ASN A 862 -1.037 75.530 -13.668 1.00 0.00 H ATOM 2281 N ALA A 863 -3.637 77.406 -13.255 1.00 22.08 N ATOM 2282 CA ALA A 863 -4.964 77.855 -12.856 1.00 22.07 C ATOM 2283 C ALA A 863 -4.909 78.983 -11.843 1.00 24.36 C ATOM 2284 O ALA A 863 -5.931 79.634 -11.597 1.00 23.22 O ATOM 2285 CB ALA A 863 -5.749 76.695 -12.236 1.00 23.01 C ATOM 2286 H ALA A 863 -3.174 76.652 -12.708 1.00 0.00 H ATOM 2287 N ARG A 864 -3.753 79.198 -11.235 1.00 18.24 N ATOM 2288 CA ARG A 864 -3.607 80.283 -10.296 1.00 21.12 C ATOM 2289 C ARG A 864 -3.711 81.604 -11.048 1.00 24.96 C ATOM 2290 O ARG A 864 -3.335 81.695 -12.210 1.00 21.63 O ATOM 2291 CB ARG A 864 -2.241 80.208 -9.626 1.00 19.61 C ATOM 2292 CG ARG A 864 -2.020 78.924 -8.871 1.00 16.76 C ATOM 2293 CD ARG A 864 -0.602 78.798 -8.353 1.00 15.47 C ATOM 2294 NE ARG A 864 -0.411 77.413 -7.926 1.00 19.70 N ATOM 2295 CZ ARG A 864 0.764 76.803 -7.880 1.00 19.96 C ATOM 2296 NH1 ARG A 864 1.874 77.449 -8.205 1.00 14.91 N ATOM 2297 NH2 ARG A 864 0.816 75.531 -7.513 1.00 22.76 N ATOM 2298 HE ARG A 864 -1.252 76.872 -7.640 1.00 0.00 H ATOM 2299 HH12 ARG A 864 2.791 76.960 -8.165 1.00 0.00 H ATOM 2300 HH11 ARG A 864 1.828 78.445 -8.500 1.00 0.00 H ATOM 2301 HH22 ARG A 864 1.731 75.039 -7.472 1.00 0.00 H ATOM 2302 HH21 ARG A 864 -0.058 75.025 -7.266 1.00 0.00 H ATOM 2303 H ARG A 864 -2.942 78.579 -11.436 1.00 0.00 H ATOM 2304 N PRO A 865 -4.235 82.638 -10.408 1.00 24.17 N ATOM 2305 CA PRO A 865 -4.188 83.963 -11.020 1.00 20.43 C ATOM 2306 C PRO A 865 -2.744 84.391 -11.185 1.00 21.32 C ATOM 2307 O PRO A 865 -1.866 83.968 -10.439 1.00 22.93 O ATOM 2308 CB PRO A 865 -4.896 84.840 -9.989 1.00 19.84 C ATOM 2309 CG PRO A 865 -4.682 84.157 -8.699 1.00 19.19 C ATOM 2310 CD PRO A 865 -4.746 82.685 -9.033 1.00 19.08 C ATOM 2311 N ARG A 866 -2.504 85.225 -12.183 1.00 22.91 N ATOM 2312 CA ARG A 866 -1.218 85.883 -12.324 1.00 18.96 C ATOM 2313 C ARG A 866 -1.249 87.195 -11.546 1.00 21.12 C ATOM 2314 O ARG A 866 -2.310 87.666 -11.160 1.00 20.39 O ATOM 2315 CB ARG A 866 -0.899 86.111 -13.803 1.00 20.12 C ATOM 2316 CG ARG A 866 -0.933 84.799 -14.605 1.00 20.41 C ATOM 2317 CD ARG A 866 -0.453 84.952 -16.021 1.00 23.95 C ATOM 2318 NE ARG A 866 0.919 85.430 -16.087 1.00 34.68 N ATOM 2319 CZ ARG A 866 1.996 84.655 -15.996 1.00 39.67 C ATOM 2320 NH1 ARG A 866 1.871 83.346 -15.819 1.00 35.66 N ATOM 2321 NH2 ARG A 866 3.205 85.193 -16.071 1.00 33.89 N ATOM 2322 HE ARG A 866 1.069 86.451 -16.215 1.00 0.00 H ATOM 2323 HH12 ARG A 866 2.719 82.747 -15.749 1.00 0.00 H ATOM 2324 HH11 ARG A 866 0.925 82.918 -15.750 1.00 0.00 H ATOM 2325 HH22 ARG A 866 4.048 84.589 -16.000 1.00 0.00 H ATOM 2326 HH21 ARG A 866 3.310 86.219 -16.201 1.00 0.00 H ATOM 2327 H ARG A 866 -3.252 85.413 -12.881 1.00 0.00 H ATOM 2328 N PHE A 867 -0.070 87.761 -11.294 1.00 19.80 N ATOM 2329 CA PHE A 867 -0.015 88.926 -10.414 1.00 18.71 C ATOM 2330 C PHE A 867 -0.847 90.091 -10.922 1.00 24.12 C ATOM 2331 O PHE A 867 -1.480 90.758 -10.091 1.00 29.94 O ATOM 2332 CB PHE A 867 1.426 89.338 -10.080 1.00 19.85 C ATOM 2333 CG PHE A 867 2.068 88.477 -9.020 1.00 23.99 C ATOM 2334 CD1 PHE A 867 3.115 87.623 -9.323 1.00 20.76 C ATOM 2335 CD2 PHE A 867 1.615 88.519 -7.726 1.00 20.51 C ATOM 2336 CE1 PHE A 867 3.671 86.842 -8.356 1.00 18.39 C ATOM 2337 CE2 PHE A 867 2.178 87.741 -6.758 1.00 19.00 C ATOM 2338 CZ PHE A 867 3.205 86.896 -7.083 1.00 17.24 C ATOM 2339 H PHE A 867 0.800 87.379 -11.718 1.00 0.00 H ATOM 2340 N PRO A 868 -0.894 90.393 -12.219 1.00 23.10 N ATOM 2341 CA PRO A 868 -1.801 91.467 -12.667 1.00 27.83 C ATOM 2342 C PRO A 868 -3.241 91.261 -12.238 1.00 28.18 C ATOM 2343 O PRO A 868 -3.900 92.214 -11.804 1.00 27.15 O ATOM 2344 CB PRO A 868 -1.633 91.447 -14.191 1.00 26.01 C ATOM 2345 CG PRO A 868 -0.231 90.971 -14.389 1.00 23.96 C ATOM 2346 CD PRO A 868 0.008 89.963 -13.298 1.00 23.00 C ATOM 2347 N GLN A 869 -3.753 90.032 -12.362 1.00 35.56 N ATOM 2348 CA GLN A 869 -5.112 89.743 -11.918 1.00 46.42 C ATOM 2349 C GLN A 869 -5.245 89.858 -10.405 1.00 31.62 C ATOM 2350 O GLN A 869 -6.301 90.265 -9.906 1.00 58.28 O ATOM 2351 CB GLN A 869 -5.545 88.354 -12.397 1.00 32.28 C ATOM 2352 CG GLN A 869 -6.914 87.926 -11.889 1.00 36.88 C ATOM 2353 CD GLN A 869 -7.373 86.593 -12.443 1.00 40.21 C ATOM 2354 OE1 GLN A 869 -6.668 85.959 -13.229 1.00 40.93 O ATOM 2355 NE2 GLN A 869 -8.557 86.158 -12.035 1.00 37.64 N ATOM 2356 HE22 GLN A 869 -9.119 86.727 -11.370 1.00 0.00 H ATOM 2357 HE21 GLN A 869 -8.924 85.248 -12.380 1.00 0.00 H ATOM 2358 H GLN A 869 -3.176 89.274 -12.779 1.00 0.00 H ATOM 2359 N ILE A 870 -4.191 89.513 -9.663 1.00 24.16 N ATOM 2360 CA ILE A 870 -4.228 89.645 -8.216 1.00 23.63 C ATOM 2361 C ILE A 870 -4.342 91.110 -7.827 1.00 24.10 C ATOM 2362 O ILE A 870 -5.175 91.480 -6.996 1.00 23.89 O ATOM 2363 CB ILE A 870 -2.992 88.986 -7.585 1.00 20.96 C ATOM 2364 CG1 ILE A 870 -3.095 87.469 -7.749 1.00 18.04 C ATOM 2365 CG2 ILE A 870 -2.902 89.369 -6.130 1.00 17.96 C ATOM 2366 CD1 ILE A 870 -1.837 86.749 -7.316 1.00 16.21 C ATOM 2367 H ILE A 870 -3.334 89.146 -10.125 1.00 0.00 H ATOM 2368 N VAL A 871 -3.519 91.960 -8.435 1.00 20.00 N ATOM 2369 CA VAL A 871 -3.617 93.389 -8.144 1.00 24.55 C ATOM 2370 C VAL A 871 -5.022 93.889 -8.454 1.00 27.04 C ATOM 2371 O VAL A 871 -5.648 94.576 -7.645 1.00 25.49 O ATOM 2372 CB VAL A 871 -2.544 94.191 -8.902 1.00 23.67 C ATOM 2373 CG1 VAL A 871 -2.748 95.684 -8.687 1.00 19.60 C ATOM 2374 CG2 VAL A 871 -1.151 93.801 -8.459 1.00 20.02 C ATOM 2375 H VAL A 871 -2.811 91.610 -9.112 1.00 0.00 H ATOM 2376 N SER A 872 -5.546 93.533 -9.630 1.00 39.02 N ATOM 2377 CA SER A 872 -6.877 93.987 -10.022 1.00 40.95 C ATOM 2378 C SER A 872 -7.937 93.526 -9.031 1.00 46.75 C ATOM 2379 O SER A 872 -8.881 94.266 -8.731 1.00 32.24 O ATOM 2380 CB SER A 872 -7.208 93.490 -11.428 1.00 37.40 C ATOM 2381 OG SER A 872 -6.312 94.028 -12.382 1.00 38.34 O ATOM 2382 HG SER A 872 -6.549 93.691 -13.282 1.00 0.00 H ATOM 2383 H SER A 872 -5.000 92.926 -10.274 1.00 0.00 H ATOM 2384 N ALA A 873 -7.797 92.305 -8.511 1.00 25.17 N ATOM 2385 CA ALA A 873 -8.766 91.801 -7.549 1.00 28.42 C ATOM 2386 C ALA A 873 -8.733 92.606 -6.265 1.00 25.97 C ATOM 2387 O ALA A 873 -9.781 92.894 -5.679 1.00 24.84 O ATOM 2388 CB ALA A 873 -8.482 90.331 -7.245 1.00 30.13 C ATOM 2389 H ALA A 873 -6.992 91.711 -8.794 1.00 0.00 H ATOM 2390 N LEU A 874 -7.540 92.958 -5.801 1.00 24.98 N ATOM 2391 CA LEU A 874 -7.437 93.743 -4.583 1.00 29.61 C ATOM 2392 C LEU A 874 -7.960 95.150 -4.815 1.00 30.27 C ATOM 2393 O LEU A 874 -8.640 95.714 -3.957 1.00 23.97 O ATOM 2394 CB LEU A 874 -5.992 93.770 -4.100 1.00 22.69 C ATOM 2395 CG LEU A 874 -5.497 92.369 -3.741 1.00 17.89 C ATOM 2396 CD1 LEU A 874 -4.012 92.346 -3.553 1.00 17.35 C ATOM 2397 CD2 LEU A 874 -6.140 91.944 -2.473 1.00 19.72 C ATOM 2398 H LEU A 874 -6.679 92.672 -6.309 1.00 0.00 H ATOM 2399 N ASP A 875 -7.674 95.709 -5.985 1.00 25.95 N ATOM 2400 CA ASP A 875 -8.194 97.034 -6.310 1.00 30.39 C ATOM 2401 C ASP A 875 -9.714 97.048 -6.316 1.00 34.64 C ATOM 2402 O ASP A 875 -10.333 98.020 -5.869 1.00 37.76 O ATOM 2403 CB ASP A 875 -7.663 97.482 -7.663 1.00 31.54 C ATOM 2404 CG ASP A 875 -6.234 97.910 -7.595 1.00 27.49 C ATOM 2405 OD1 ASP A 875 -5.765 98.231 -6.488 1.00 27.28 O ATOM 2406 OD2 ASP A 875 -5.595 97.934 -8.649 1.00 30.96 O ATOM 2407 H ASP A 875 -7.079 95.202 -6.671 1.00 0.00 H ATOM 2408 N LYS A 876 -10.333 95.987 -6.827 1.00 32.28 N ATOM 2409 CA LYS A 876 -11.786 95.903 -6.792 1.00 35.84 C ATOM 2410 C LYS A 876 -12.296 95.880 -5.359 1.00 37.97 C ATOM 2411 O LYS A 876 -13.316 96.501 -5.047 1.00 38.04 O ATOM 2412 CB LYS A 876 -12.259 94.673 -7.562 1.00 36.98 C ATOM 2413 CG LYS A 876 -13.754 94.615 -7.773 1.00 44.83 C ATOM 2414 CD LYS A 876 -14.123 93.514 -8.749 1.00 48.93 C ATOM 2415 CE LYS A 876 -15.535 93.687 -9.271 1.00 51.94 C ATOM 2416 NZ LYS A 876 -15.798 92.793 -10.425 1.00 57.82 N ATOM 2417 HZ1 LYS A 876 -15.132 93.015 -11.192 1.00 0.00 H ATOM 2418 HZ2 LYS A 876 -15.673 91.803 -10.131 1.00 0.00 H ATOM 2419 HZ3 LYS A 876 -16.773 92.936 -10.758 1.00 0.00 H ATOM 2420 H LYS A 876 -9.778 95.217 -7.252 1.00 0.00 H ATOM 2421 N MET A 877 -11.588 95.188 -4.466 1.00 30.72 N ATOM 2422 CA MET A 877 -12.008 95.159 -3.071 1.00 34.37 C ATOM 2423 C MET A 877 -11.910 96.540 -2.439 1.00 39.69 C ATOM 2424 O MET A 877 -12.787 96.939 -1.672 1.00 37.96 O ATOM 2425 CB MET A 877 -11.192 94.140 -2.279 1.00 29.62 C ATOM 2426 CG MET A 877 -11.293 92.734 -2.801 1.00 32.73 C ATOM 2427 SD MET A 877 -10.173 91.645 -1.894 1.00 31.35 S ATOM 2428 CE MET A 877 -10.519 90.080 -2.706 1.00 25.72 C ATOM 2429 H MET A 877 -10.737 94.670 -4.765 1.00 0.00 H ATOM 2430 N ILE A 878 -10.849 97.280 -2.748 1.00 33.16 N ATOM 2431 CA ILE A 878 -10.702 98.609 -2.175 1.00 43.49 C ATOM 2432 C ILE A 878 -11.792 99.538 -2.688 1.00 47.60 C ATOM 2433 O ILE A 878 -12.294 100.385 -1.943 1.00 50.27 O ATOM 2434 CB ILE A 878 -9.286 99.151 -2.426 1.00 41.53 C ATOM 2435 CG1 ILE A 878 -8.255 98.239 -1.751 1.00 35.92 C ATOM 2436 CG2 ILE A 878 -9.168 100.573 -1.923 1.00 43.22 C ATOM 2437 CD1 ILE A 878 -6.829 98.684 -1.908 1.00 36.07 C ATOM 2438 H ILE A 878 -10.126 96.909 -3.398 1.00 0.00 H ATOM 2439 N ARG A 879 -12.202 99.374 -3.946 1.00 47.68 N ATOM 2440 CA ARG A 879 -13.287 100.185 -4.484 1.00 51.34 C ATOM 2441 C ARG A 879 -14.637 99.788 -3.910 1.00 53.29 C ATOM 2442 O ARG A 879 -15.522 100.638 -3.778 1.00 50.69 O ATOM 2443 CB ARG A 879 -13.341 100.071 -6.004 1.00 51.38 C ATOM 2444 CG ARG A 879 -12.383 100.976 -6.733 1.00 55.87 C ATOM 2445 CD ARG A 879 -12.789 101.122 -8.186 1.00 57.73 C ATOM 2446 NE ARG A 879 -12.934 99.830 -8.841 1.00 55.72 N ATOM 2447 CZ ARG A 879 -11.948 99.196 -9.464 1.00 56.27 C ATOM 2448 NH1 ARG A 879 -10.738 99.738 -9.524 1.00 50.95 N ATOM 2449 NH2 ARG A 879 -12.175 98.021 -10.026 1.00 52.21 N ATOM 2450 HE ARG A 879 -13.869 99.375 -8.819 1.00 0.00 H ATOM 2451 HH12 ARG A 879 -9.968 99.238 -10.013 1.00 0.00 H ATOM 2452 HH11 ARG A 879 -10.560 100.662 -9.082 1.00 0.00 H ATOM 2453 HH22 ARG A 879 -11.405 97.521 -10.515 1.00 0.00 H ATOM 2454 HH21 ARG A 879 -13.123 97.597 -9.979 1.00 0.00 H ATOM 2455 H ARG A 879 -11.744 98.661 -4.549 1.00 0.00 H ATOM 2456 N ASN A 880 -14.823 98.514 -3.580 1.00 49.41 N ATOM 2457 CA ASN A 880 -16.105 97.988 -3.122 1.00 54.49 C ATOM 2458 C ASN A 880 -15.938 97.399 -1.728 1.00 54.34 C ATOM 2459 O ASN A 880 -16.092 96.187 -1.534 1.00 52.88 O ATOM 2460 CB ASN A 880 -16.638 96.939 -4.094 1.00 55.42 C ATOM 2461 CG ASN A 880 -16.910 97.508 -5.468 1.00 59.95 C ATOM 2462 OD1 ASN A 880 -17.437 98.609 -5.599 1.00 70.59 O ATOM 2463 ND2 ASN A 880 -16.542 96.767 -6.502 1.00 55.41 N ATOM 2464 HD22 ASN A 880 -16.099 95.839 -6.345 1.00 0.00 H ATOM 2465 HD21 ASN A 880 -16.696 97.113 -7.471 1.00 0.00 H ATOM 2466 H ASN A 880 -14.017 97.861 -3.652 1.00 0.00 H ATOM 2467 N PRO A 881 -15.645 98.234 -0.729 1.00 54.58 N ATOM 2468 CA PRO A 881 -15.348 97.699 0.606 1.00 58.02 C ATOM 2469 C PRO A 881 -16.509 96.976 1.247 1.00 58.73 C ATOM 2470 O PRO A 881 -16.293 96.224 2.202 1.00 57.81 O ATOM 2471 CB PRO A 881 -14.951 98.944 1.405 1.00 54.38 C ATOM 2472 CG PRO A 881 -15.667 100.042 0.732 1.00 56.46 C ATOM 2473 CD PRO A 881 -15.678 99.704 -0.727 1.00 56.52 C ATOM 2474 N ALA A 882 -17.735 97.177 0.763 1.00 58.67 N ATOM 2475 CA ALA A 882 -18.850 96.392 1.273 1.00 63.85 C ATOM 2476 C ALA A 882 -18.621 94.907 1.052 1.00 63.21 C ATOM 2477 O ALA A 882 -19.120 94.080 1.821 1.00 64.17 O ATOM 2478 CB ALA A 882 -20.154 96.833 0.613 1.00 66.57 C ATOM 2479 H ALA A 882 -17.894 97.892 0.024 1.00 0.00 H ATOM 2480 N SER A 883 -17.861 94.551 0.017 1.00 62.69 N ATOM 2481 CA SER A 883 -17.545 93.152 -0.225 1.00 60.64 C ATOM 2482 C SER A 883 -16.659 92.567 0.863 1.00 57.78 C ATOM 2483 O SER A 883 -16.668 91.351 1.061 1.00 57.58 O ATOM 2484 CB SER A 883 -16.876 92.990 -1.588 1.00 56.97 C ATOM 2485 OG SER A 883 -15.734 93.816 -1.697 1.00 51.80 O ATOM 2486 HG SER A 883 -16.001 94.763 -1.586 1.00 0.00 H ATOM 2487 H SER A 883 -17.490 95.281 -0.624 1.00 0.00 H ATOM 2488 N LEU A 884 -15.905 93.398 1.572 1.00 55.64 N ATOM 2489 CA LEU A 884 -15.017 92.921 2.621 1.00 55.24 C ATOM 2490 C LEU A 884 -15.728 92.705 3.948 1.00 56.41 C ATOM 2491 O LEU A 884 -15.094 92.247 4.902 1.00 49.89 O ATOM 2492 CB LEU A 884 -13.848 93.891 2.803 1.00 51.59 C ATOM 2493 CG LEU A 884 -12.910 94.027 1.604 1.00 47.27 C ATOM 2494 CD1 LEU A 884 -11.922 95.151 1.811 1.00 44.29 C ATOM 2495 CD2 LEU A 884 -12.172 92.724 1.375 1.00 44.97 C ATOM 2496 H LEU A 884 -15.950 94.418 1.372 1.00 0.00 H ATOM 2497 N LYS A 885 -17.018 93.020 4.035 1.00 59.84 N ATOM 2498 CA LYS A 885 -17.748 92.831 5.279 1.00 61.89 C ATOM 2499 C LYS A 885 -18.234 91.403 5.455 1.00 56.14 C ATOM 2500 O LYS A 885 -18.570 91.009 6.573 1.00 52.51 O ATOM 2501 CB LYS A 885 -18.938 93.792 5.345 1.00 70.10 C ATOM 2502 CG LYS A 885 -18.572 95.249 5.099 1.00 72.65 C ATOM 2503 CD LYS A 885 -19.704 96.188 5.486 1.00 81.45 C ATOM 2504 CE LYS A 885 -21.012 95.805 4.819 1.00 85.54 C ATOM 2505 NZ LYS A 885 -22.129 96.693 5.255 1.00 93.17 N ATOM 2506 HZ1 LYS A 885 -22.249 96.616 6.285 1.00 0.00 H ATOM 2507 HZ2 LYS A 885 -21.906 97.677 5.003 1.00 0.00 H ATOM 2508 HZ3 LYS A 885 -23.007 96.402 4.780 1.00 0.00 H ATOM 2509 H LYS A 885 -17.510 93.406 3.204 1.00 0.00 H ATOM 2510 N ILE A 886 -18.270 90.622 4.382 1.00 54.06 N ATOM 2511 CA ILE A 886 -18.752 89.249 4.439 1.00 54.22 C ATOM 2512 C ILE A 886 -17.620 88.371 4.956 1.00 50.48 C ATOM 2513 O ILE A 886 -16.595 88.210 4.293 1.00 38.23 O ATOM 2514 CB ILE A 886 -19.248 88.767 3.073 1.00 53.77 C ATOM 2515 CG1 ILE A 886 -20.478 89.561 2.630 1.00 56.32 C ATOM 2516 CG2 ILE A 886 -19.545 87.281 3.111 1.00 52.05 C ATOM 2517 CD1 ILE A 886 -20.158 90.849 1.904 1.00 57.10 C ATOM 2518 H ILE A 886 -17.943 91.003 3.471 1.00 0.00 H ATOM 2519 N VAL A 887 -17.807 87.812 6.149 1.00 50.93 N ATOM 2520 CA VAL A 887 -16.884 86.857 6.738 1.00 51.94 C ATOM 2521 C VAL A 887 -17.632 85.547 6.947 1.00 57.94 C ATOM 2522 O VAL A 887 -18.854 85.483 6.841 1.00 59.30 O ATOM 2523 CB VAL A 887 -16.271 87.366 8.054 1.00 50.36 C ATOM 2524 CG1 VAL A 887 -15.546 88.679 7.824 1.00 44.61 C ATOM 2525 CG2 VAL A 887 -17.346 87.526 9.101 1.00 58.12 C ATOM 2526 H VAL A 887 -18.658 88.072 6.688 1.00 0.00 H ATOM 2527 N ALA A 888 -16.879 84.493 7.246 1.00 60.55 N ATOM 2528 CA ALA A 888 -17.481 83.181 7.402 1.00 69.45 C ATOM 2529 C ALA A 888 -18.067 83.019 8.802 1.00 78.74 C ATOM 2530 O ALA A 888 -17.899 83.866 9.681 1.00 78.99 O ATOM 2531 CB ALA A 888 -16.453 82.087 7.130 1.00 67.81 C ATOM 2532 H ALA A 888 -15.853 84.609 7.369 1.00 0.00 H ATOM 2533 N ARG A 889 -18.767 81.908 9.002 1.00 86.43 N ATOM 2534 CA ARG A 889 -19.317 81.589 10.313 1.00 95.13 C ATOM 2535 C ARG A 889 -18.256 80.941 11.196 1.00 97.60 C ATOM 2536 O ARG A 889 -18.112 81.289 12.367 1.00 98.94 O ATOM 2537 CB ARG A 889 -20.527 80.665 10.184 1.00101.12 C ATOM 2538 CG ARG A 889 -21.649 81.228 9.336 1.00102.95 C ATOM 2539 CD ARG A 889 -22.992 80.656 9.759 1.00112.57 C ATOM 2540 NE ARG A 889 -23.192 80.759 11.202 1.00115.24 N ATOM 2541 CZ ARG A 889 -24.373 80.662 11.803 1.00115.16 C ATOM 2542 NH1 ARG A 889 -25.470 80.463 11.086 1.00114.76 N ATOM 2543 NH2 ARG A 889 -24.459 80.768 13.122 1.00112.57 N ATOM 2544 HE ARG A 889 -22.355 80.919 11.798 1.00 0.00 H ATOM 2545 HH12 ARG A 889 -26.393 80.387 11.558 1.00 0.00 H ATOM 2546 HH11 ARG A 889 -25.407 80.382 10.051 1.00 0.00 H ATOM 2547 HH22 ARG A 889 -25.384 80.692 13.591 1.00 0.00 H ATOM 2548 HH21 ARG A 889 -23.601 80.927 13.688 1.00 0.00 H ATOM 2549 H ARG A 889 -18.925 81.254 8.209 1.00 0.00 H TER 2550 ARG A 889 HETATM 2551 O HOH 1 -7.831 80.773 -9.922 1.00 37.52 O HETATM 2552 O HOH 2 17.644 71.396 -8.666 1.00 42.88 O HETATM 2553 O HOH 3 -5.582 96.234 -12.547 1.00 38.57 O HETATM 2554 O HOH 4 -2.844 66.523 -4.163 1.00 37.27 O HETATM 2555 O HOH 5 -3.226 73.012 -16.620 1.00 44.43 O HETATM 2556 O HOH 6 1.434 79.171 -16.294 1.00 33.81 O HETATM 2557 O HOH 7 1.712 79.112 15.759 1.00 51.82 O HETATM 2558 O HOH 8 7.513 94.569 -20.254 1.00 41.02 O HETATM 2559 O HOH 9 -12.562 101.124 0.389 1.00 51.14 O HETATM 2560 O HOH 10 16.992 99.264 -6.843 1.00 54.07 O HETATM 2561 O HOH 11 -8.033 74.550 -10.830 1.00 43.21 O HETATM 2562 O HOH 12 12.486 99.428 -13.803 1.00 37.85 O HETATM 2563 O HOH 13 -6.679 100.022 -5.002 1.00 37.56 O HETATM 2564 O HOH 14 2.546 101.020 -4.222 1.00 38.90 O HETATM 2565 O HOH 15 11.291 98.572 13.681 1.00 48.57 O HETATM 2566 O HOH 16 11.701 73.678 -1.389 1.00 41.06 O HETATM 2567 O HOH 17 20.049 89.025 0.389 1.00 42.20 O HETATM 2568 O HOH 18 7.228 85.128 7.182 1.00 18.07 O HETATM 2569 O HOH 19 -14.741 80.794 -0.647 1.00 35.71 O HETATM 2570 O HOH 20 -4.441 85.383 -14.406 1.00 25.24 O HETATM 2571 O HOH 21 15.900 83.926 0.326 1.00 34.01 O HETATM 2572 O HOH 22 10.588 104.928 -0.770 1.00 45.91 O HETATM 2573 O HOH 23 -8.216 93.831 11.595 1.00 38.29 O HETATM 2574 O HOH 24 -11.370 85.121 -6.010 1.00 35.51 O HETATM 2575 O HOH 25 12.859 89.065 8.495 1.00 29.45 O HETATM 2576 O HOH 26 -8.426 84.632 -8.608 1.00 38.14 O HETATM 2577 O HOH 27 -6.552 87.442 12.118 1.00 27.15 O HETATM 2578 O HOH 28 1.284 91.634 20.113 1.00 41.74 O HETATM 2579 O HOH 29 13.223 78.931 -2.295 1.00 38.28 O HETATM 2580 O HOH 30 20.859 89.183 4.207 1.00 61.33 O HETATM 2581 O HOH 31 -13.242 91.728 9.310 1.00 42.13 O HETATM 2582 O HOH 32 -8.409 93.832 -14.419 1.00 45.78 O HETATM 2583 O HOH 33 14.747 86.722 -4.797 1.00 28.31 O HETATM 2584 O HOH 34 -0.334 69.172 -4.498 1.00 39.16 O HETATM 2585 O HOH 35 -15.932 88.909 1.736 1.00 32.77 O HETATM 2586 O HOH 36 -6.142 63.420 5.788 1.00 23.23 O HETATM 2587 O HOH 37 0.303 99.888 2.606 1.00 24.89 O HETATM 2588 O HOH 38 -0.093 87.781 15.827 1.00 28.75 O HETATM 2589 O HOH 39 11.217 77.482 -14.307 1.00 35.58 O HETATM 2590 O HOH 40 2.603 92.493 -15.965 1.00 26.59 O HETATM 2591 O HOH 41 4.070 85.026 9.780 1.00 24.58 O HETATM 2592 O HOH 42 -14.025 84.377 7.310 1.00 39.53 O HETATM 2593 O HOH 43 8.597 80.532 -6.346 1.00 17.45 O HETATM 2594 O HOH 44 1.422 71.980 -7.873 1.00 23.57 O HETATM 2595 O HOH 45 3.559 96.546 -10.533 1.00 23.53 O HETATM 2596 O HOH 46 4.472 103.686 10.984 1.00 35.69 O HETATM 2597 O HOH 47 -0.982 80.841 -13.237 1.00 21.62 O HETATM 2598 O HOH 48 15.332 74.228 -9.505 1.00 42.51 O HETATM 2599 O HOH 49 15.092 83.243 -9.598 1.00 36.49 O HETATM 2600 O HOH 50 -8.280 88.749 9.341 1.00 27.78 O HETATM 2601 O HOH 51 7.841 86.386 -10.092 1.00 20.57 O HETATM 2602 O HOH 52 2.463 76.340 1.664 1.00 17.49 O HETATM 2603 O HOH 53 11.105 101.393 -3.297 1.00 35.89 O HETATM 2604 O HOH 54 -6.576 101.818 11.813 1.00 36.73 O HETATM 2605 O HOH 55 0.238 82.585 -11.470 1.00 18.10 O HETATM 2606 O HOH 56 12.066 104.469 4.818 1.00 51.06 O HETATM 2607 O HOH 57 15.244 83.786 -3.046 1.00 32.48 O HETATM 2608 O HOH 58 7.674 85.810 -14.916 1.00 28.66 O HETATM 2609 O HOH 59 -12.134 86.519 -4.213 1.00 28.02 O HETATM 2610 O HOH 60 -5.328 75.087 -16.051 1.00 39.49 O HETATM 2611 O HOH 61 6.945 91.400 16.981 1.00 24.98 O HETATM 2612 O HOH 62 -6.178 92.010 -14.398 1.00 36.50 O HETATM 2613 O HOH 63 12.187 83.835 -15.454 1.00 38.08 O HETATM 2614 O HOH 64 -9.886 78.546 -7.195 1.00 45.73 O HETATM 2615 O HOH 65 -3.169 94.751 -12.556 1.00 40.86 O HETATM 2616 O HOH 66 17.869 106.447 2.155 1.00 79.71 O HETATM 2617 O HOH 67 -5.795 89.213 -18.312 1.00 47.86 O HETATM 2618 O HOH 68 18.636 86.835 -6.990 1.00 39.82 O HETATM 2619 O HOH 69 4.111 78.826 15.975 1.00 45.50 O HETATM 2620 O HOH 70 9.470 94.491 12.318 1.00 31.60 O HETATM 2621 O HOH 71 0.275 72.599 -14.394 1.00 39.61 O HETATM 2622 O HOH 72 2.454 95.495 21.072 1.00 38.58 O HETATM 2623 O HOH 73 12.927 80.168 -11.974 1.00 36.45 O HETATM 2624 O HOH 74 -9.187 101.821 7.583 1.00 36.26 O HETATM 2625 O HOH 75 -9.108 93.943 16.689 1.00 34.24 O HETATM 2626 O HOH 76 4.364 74.517 1.135 1.00 20.91 O HETATM 2627 O HOH 77 -13.367 80.405 2.020 1.00 36.21 O HETATM 2628 O HOH 78 11.182 88.603 10.587 1.00 27.14 O HETATM 2629 O HOH 79 0.132 99.947 -4.341 1.00 36.26 O HETATM 2630 O HOH 80 -3.748 63.907 7.140 1.00 36.50 O HETATM 2631 O HOH 81 -4.404 101.593 13.518 1.00 23.72 O HETATM 2632 O HOH 82 6.150 76.530 -10.552 1.00 17.40 O HETATM 2633 O HOH 83 -2.272 99.941 3.943 1.00 26.45 O HETATM 2634 O HOH 84 -1.830 88.443 -16.796 1.00 34.02 O HETATM 2635 O HOH 85 -8.314 67.936 1.719 1.00 23.78 O HETATM 2636 O HOH 86 -9.131 100.538 -6.053 1.00 37.60 O HETATM 2637 O HOH 87 3.180 90.753 -13.952 1.00 23.01 O HETATM 2638 O HOH 88 11.570 75.841 -0.347 1.00 43.35 O HETATM 2639 O HOH 89 -3.949 87.199 15.878 1.00 40.88 O HETATM 2640 O HOH 90 13.966 85.954 5.304 1.00 28.28 O HETATM 2641 O HOH 91 9.044 79.502 -2.233 1.00 26.10 O HETATM 2642 O HOH 92 -7.196 64.235 0.947 1.00 32.12 O HETATM 2643 O HOH 93 8.863 94.832 -14.715 1.00 42.33 O HETATM 2644 O HOH 94 8.389 82.586 -3.582 1.00 19.45 O HETATM 2645 O HOH 95 3.942 99.706 15.570 1.00 26.96 O HETATM 2646 O HOH 96 -12.618 83.489 9.836 1.00 42.90 O HETATM 2647 O HOH 97 -2.453 76.570 2.335 1.00 18.51 O HETATM 2648 O HOH 98 2.140 98.698 0.662 1.00 28.38 O HETATM 2649 O HOH 99 13.160 66.938 -5.010 1.00 37.46 O HETATM 2650 O HOH 100 -5.088 81.532 -14.420 1.00 32.88 O HETATM 2651 O HOH 101 -6.238 100.582 1.904 1.00 35.04 O HETATM 2652 O HOH 102 -4.302 92.221 20.068 1.00 34.43 O HETATM 2653 O HOH 103 -8.270 97.292 14.752 1.00 33.27 O HETATM 2654 O HOH 104 -11.404 96.176 9.839 1.00 33.78 O HETATM 2655 O HOH 105 12.862 99.890 -6.048 1.00 30.21 O HETATM 2656 O HOH 106 12.007 90.772 12.529 1.00 39.34 O HETATM 2657 O HOH 107 -1.126 99.713 -1.624 1.00 28.74 O HETATM 2658 O HOH 108 3.043 90.136 -18.868 1.00 42.58 O HETATM 2659 O HOH 109 -12.114 91.355 -6.171 1.00 38.27 O HETATM 2660 O HOH 110 0.006 66.404 7.708 1.00 30.99 O HETATM 2661 O HOH 111 -0.207 81.412 -15.689 1.00 28.74 O HETATM 2662 O HOH 112 -9.202 66.003 -2.386 1.00 42.23 O HETATM 2663 O HOH 113 -14.134 77.741 -2.599 1.00 44.81 O HETATM 2664 O HOH 114 3.971 79.063 -15.041 1.00 27.15 O HETATM 2665 O HOH 115 -6.683 76.033 -3.083 1.00 21.85 O HETATM 2666 O HOH 116 0.833 88.204 -16.724 1.00 32.19 O HETATM 2667 O HOH 117 0.631 104.227 2.573 1.00 41.97 O HETATM 2668 O HOH 118 -9.216 75.945 3.777 1.00 34.07 O HETATM 2669 O HOH 119 -3.143 103.539 6.862 1.00 31.37 O HETATM 2670 O HOH 120 -2.700 70.024 -3.624 1.00 26.27 O HETATM 2671 O HOH 121 -5.108 82.677 11.365 1.00 28.11 O HETATM 2672 O HOH 122 -9.825 96.229 -10.617 1.00 40.78 O HETATM 2673 O HOH 123 8.358 84.299 9.664 1.00 37.82 O HETATM 2674 O HOH 124 7.102 79.154 -4.221 1.00 17.37 O HETATM 2675 O HOH 125 -6.246 72.673 -6.296 1.00 27.79 O HETATM 2676 O HOH 126 -8.334 79.595 -13.215 1.00 40.10 O HETATM 2677 O HOH 127 -7.949 72.019 -2.165 1.00 32.81 O HETATM 2678 O HOH 128 15.400 105.464 4.114 1.00 68.22 O HETATM 2679 O HOH 129 10.521 104.273 6.990 1.00 37.29 O HETATM 2680 O HOH 130 2.072 106.674 9.002 1.00 35.89 O HETATM 2681 O HOH 131 -2.673 102.791 11.595 1.00 24.93 O HETATM 2682 O HOH 132 -18.944 83.410 3.717 1.00 53.52 O HETATM 2683 O HOH 133 7.901 82.127 -14.499 1.00 27.42 O HETATM 2684 O HOH 134 10.440 85.123 10.940 1.00 41.92 O HETATM 2685 O HOH 135 9.048 75.956 6.537 1.00 27.80 O HETATM 2686 O HOH 136 -11.549 98.083 7.049 1.00 31.31 O HETATM 2687 O HOH 137 6.018 84.211 11.179 1.00 29.11 O HETATM 2688 O HOH 138 18.574 85.917 -3.339 1.00 38.13 O HETATM 2689 O HOH 139 18.114 82.255 6.272 1.00 78.10 O HETATM 2690 O HOH 140 5.266 68.861 -2.792 1.00 30.02 O HETATM 2691 O HOH 141 10.394 104.356 2.136 1.00 40.93 O HETATM 2692 O HOH 142 -8.417 72.440 3.948 1.00 25.19 O HETATM 2693 O HOH 143 -8.396 90.080 13.442 1.00 43.00 O HETATM 2694 O HOH 144 2.435 86.688 -12.477 1.00 18.99 O HETATM 2695 O HOH 145 10.043 71.013 10.600 1.00 32.69 O HETATM 2696 O HOH 146 5.982 78.330 -17.085 1.00 39.08 O HETATM 2697 O HOH 147 6.215 73.977 -18.070 1.00 35.91 O HETATM 2698 O HOH 148 -1.759 61.739 6.688 1.00 26.53 O HETATM 2699 O HOH 149 14.495 84.672 -12.056 1.00 36.38 O HETATM 2700 O HOH 150 12.479 93.509 11.704 1.00 37.11 O HETATM 2701 O HOH 151 -5.906 72.882 -9.505 1.00 26.30 O HETATM 2702 O HOH 152 7.896 88.948 16.824 1.00 34.17 O HETATM 2703 O HOH 153 1.200 88.675 18.388 1.00 41.54 O HETATM 2704 O HOH 154 -7.324 83.016 -12.975 1.00 43.04 O HETATM 2705 O HOH 155 -11.591 77.344 -4.500 1.00 41.40 O HETATM 2706 O HOH 156 12.767 76.155 -12.084 1.00 25.85 O HETATM 2707 O HOH 157 8.955 81.596 -0.042 1.00 28.62 O HETATM 2708 O HOH 158 3.244 63.749 0.537 1.00 42.21 O HETATM 2709 O HOH 159 9.843 67.952 9.127 1.00 38.24 O HETATM 2710 O HOH 160 1.256 65.264 -6.738 1.00 43.87 O HETATM 2711 O HOH 161 5.832 106.441 1.583 1.00 38.57 O HETATM 2712 O HOH 162 -0.394 88.754 20.167 1.00 49.04 O HETATM 2713 O HOH 163 16.569 74.063 -6.448 1.00 43.44 O HETATM 2714 O HOH 164 -8.557 100.061 -11.670 1.00 46.84 O HETATM 2715 O HOH 165 10.214 88.048 15.757 1.00 47.44 O HETATM 2716 O HOH 166 7.606 64.199 1.045 1.00 49.25 O HETATM 2717 O HOH 167 -6.407 69.860 -5.807 1.00 41.27 O HETATM 2718 O HOH 168 0.147 72.559 -18.961 1.00 46.22 O HETATM 2719 O HOH 169 3.964 64.213 12.698 1.00 41.28 O HETATM 2720 O HOH 170 -0.525 104.823 6.609 1.00 35.29 O HETATM 2721 O HOH 171 -7.299 97.957 -11.282 1.00 41.56 O HETATM 2722 O HOH 172 -9.291 70.609 2.066 1.00 38.91 O HETATM 2723 O HOH 173 -9.115 89.995 -11.308 1.00 43.61 O HETATM 2724 O HOH 174 0.270 95.511 21.421 1.00 40.92 O HETATM 2725 O HOH 175 -10.711 91.815 -10.635 1.00 45.42 O HETATM 2726 O HOH 176 -14.071 84.768 11.815 1.00 41.14 O HETATM 2727 O HOH 177 2.904 88.145 -14.888 1.00 22.99 O HETATM 2728 O HOH 178 -6.568 73.655 -4.148 1.00 38.59 O HETATM 2729 O HOH 179 -8.320 83.261 -10.631 1.00 39.72 O HETATM 2730 O HOH 180 1.893 100.940 -1.553 1.00 22.66 O HETATM 2731 O HOH 181 0.770 63.111 1.924 1.00 39.87 O HETATM 2732 O HOH 182 4.477 81.751 -14.370 1.00 51.68 O HETATM 2733 O HOH 183 2.335 83.915 -12.585 1.00 22.00 O HETATM 2734 O HOH 184 3.451 83.160 15.302 1.00 42.30 O HETATM 2735 O HOH 185 15.843 86.560 -13.561 1.00 40.62 O HETATM 2736 O HOH 186 5.798 83.281 13.934 1.00 35.17 O HETATM 2737 O HOH 187 10.707 103.601 -12.501 1.00 45.29 O HETATM 2738 O HOH 188 10.022 103.764 -7.273 1.00 36.59 O HETATM 2739 O HOH 189 -2.937 94.143 21.668 1.00 46.25 O HETATM 2740 O HOH 190 13.181 73.719 -13.342 1.00 38.44 O HETATM 2741 O HOH 191 16.153 77.488 -11.912 1.00 45.60 O HETATM 2742 O HOH 192 15.695 89.436 -14.383 1.00 49.00 O HETATM 2743 O HOH 193 10.219 101.387 -13.773 1.00 34.65 O HETATM 2744 O HOH 194 -0.107 63.912 6.474 1.00 45.45 O HETATM 2745 O HOH 195 12.488 102.786 -6.122 1.00 42.56 O HETATM 2746 O HOH 196 -4.903 85.577 14.371 1.00 44.54 O HETATM 2747 O HOH 197 8.284 95.414 14.443 1.00 42.61 O HETATM 2748 O HOH 198 -4.717 101.227 -4.476 1.00 36.50 O HETATM 2749 O HOH 199 5.322 91.003 19.327 1.00 31.38 O HETATM 2750 O HOH 200 -14.401 92.137 -4.789 1.00 36.81 O HETATM 2751 O HOH 201 3.533 68.270 -6.906 1.00 43.23 O HETATM 2752 O HOH 202 -17.493 87.885 -0.445 1.00 42.72 O HETATM 2753 O HOH 203 10.357 77.804 8.350 1.00 35.54 O HETATM 2754 O HOH 204 14.224 86.916 8.026 1.00 29.71 O HETATM 2755 O HOH 205 -9.959 87.179 -8.572 1.00 47.07 O HETATM 2756 O HOH 206 -5.390 70.045 -10.128 1.00 39.30 O HETATM 2757 O HOH 207 3.301 92.084 21.258 1.00 43.16 O HETATM 2758 O HOH 208 -1.188 70.509 16.734 1.00 43.04 O HETATM 2759 O HOH 209 6.187 95.403 -22.476 1.00 44.53 O HETATM 2760 O HOH 210 9.670 83.857 -15.699 1.00 44.42 O HETATM 2761 O HOH 211 -0.271 94.812 -15.252 1.00 27.68 O HETATM 2762 O HOH 212 -14.866 86.353 -3.730 1.00 37.06 O HETATM 2763 O HOH 213 9.290 93.219 17.065 1.00 42.22 O HETATM 2764 O HOH 214 4.996 66.127 -5.937 1.00 41.91 O HETATM 2765 O HOH 215 18.277 87.746 -12.247 1.00 43.77 O HETATM 2766 O HOH 216 -4.774 83.373 13.755 1.00 47.92 O HETATM 2767 O HOH 217 11.738 104.902 -15.246 1.00 44.68 O HETATM 2768 O HOH 218 -3.356 100.625 -1.934 1.00 37.17 O HETATM 2769 O HOH 219 -8.515 91.530 10.851 1.00 42.19 O HETATM 2770 O HOH 220 -14.872 80.558 4.189 1.00 38.14 O HETATM 2771 O HOH 221 13.601 82.114 -13.781 1.00 37.38 O HETATM 2772 O HOH 222 5.548 88.207 19.444 1.00 39.91 O HETATM 2773 O HOH 223 0.278 102.067 1.010 1.00 41.74 O HETATM 2774 O HOH 224 16.106 81.950 -1.681 1.00 44.68 O HETATM 2775 O HOH 225 -13.520 77.191 2.123 1.00 39.43 O HETATM 2776 O HOH 226 0.144 92.854 -17.362 1.00 30.85 O HETATM 2777 O HOH 227 6.479 66.724 -2.298 1.00 36.58 O HETATM 2778 O HOH 228 11.243 69.169 3.877 1.00 35.34 O HETATM 2779 O HOH 229 -3.364 102.207 4.340 1.00 33.82 O HETATM 2780 O HOH 230 -4.839 101.529 0.079 1.00 42.35 O HETATM 2781 O HOH 231 -9.012 74.703 -1.838 1.00 38.69 O HETATM 2782 O HOH 232 -2.271 104.079 2.521 1.00 47.22 O HETATM 2783 O HOH 233 -10.196 74.793 1.055 1.00 31.50 O HETATM 2784 O HOH 234 3.573 103.967 -2.242 1.00 46.68 O HETATM 2785 O HOH 235 15.984 74.543 -14.053 1.00 44.91 O HETATM 2786 C01 DXH A 236 20.877 96.052 3.201 1.00 -0.03 C HETATM 2787 C02 DXH A 236 20.050 95.188 2.256 1.00 -0.02 C HETATM 2788 C03 DXH A 236 18.652 95.269 2.292 1.00 0.07 C HETATM 2789 C04 DXH A 236 17.891 94.497 1.442 1.00 -0.02 C HETATM 2790 C05 DXH A 236 18.510 93.625 0.570 1.00 0.04 C HETATM 2791 C06 DXH A 236 19.899 93.548 0.511 1.00 -0.06 C HETATM 2792 C07 DXH A 236 20.666 94.336 1.373 1.00 -0.06 C HETATM 2793 H6 DXH A 236 21.748 94.275 1.345 1.00 0.05 H HETATM 2794 H5 DXH A 236 20.381 92.883 -0.197 1.00 0.06 H HETATM 2795 C08 DXH A 236 17.612 92.797 -0.387 1.00 0.23 C HETATM 2796 O09 DXH A 236 16.461 92.691 -0.169 1.00 -0.38 O HETATM 2797 N10 DXH A 236 18.270 92.225 -1.590 1.00 -0.23 N HETATM 2798 C11 DXH A 236 17.574 91.487 -2.625 1.00 0.09 C HETATM 2799 C12 DXH A 236 18.243 90.512 -3.352 1.00 -0.01 C HETATM 2800 C13 DXH A 236 17.572 89.842 -4.367 1.00 -0.04 C HETATM 2801 C14 DXH A 236 16.263 90.153 -4.659 1.00 -0.04 C HETATM 2802 C15 DXH A 236 15.621 91.132 -3.956 1.00 0.03 C HETATM 2803 C16 DXH A 236 16.303 91.819 -2.923 1.00 -0.01 C HETATM 2804 H11 DXH A 236 15.804 92.609 -2.374 1.00 0.07 H HETATM 2805 C17 DXH A 236 14.174 91.487 -4.258 1.00 0.37 C HETATM 2806 F18 DXH A 236 13.834 90.936 -5.449 1.00 -0.22 F HETATM 2807 F19 DXH A 236 14.040 92.846 -4.319 1.00 -0.22 F HETATM 2808 F20 DXH A 236 13.403 91.018 -3.260 1.00 -0.22 F HETATM 2809 H10 DXH A 236 15.742 89.621 -5.447 1.00 0.07 H HETATM 2810 H9 DXH A 236 18.082 89.070 -4.932 1.00 0.07 H HETATM 2811 H8 DXH A 236 19.277 90.276 -3.130 1.00 0.08 H HETATM 2812 H7 DXH A 236 19.256 92.358 -1.692 1.00 0.23 H HETATM 2813 H4 DXH A 236 16.810 94.574 1.458 1.00 0.06 H HETATM 2814 N21 DXH A 236 17.962 96.189 3.223 1.00 -0.25 N HETATM 2815 C22 DXH A 236 17.684 95.801 4.625 1.00 0.15 C HETATM 2816 N23 DXH A 236 18.165 94.683 5.121 1.00 -0.26 N HETATM 2817 C24 DXH A 236 17.928 94.312 6.376 1.00 0.10 C HETATM 2818 N25 DXH A 236 17.199 95.061 7.206 1.00 -0.26 N HETATM 2819 C26 DXH A 236 16.660 96.240 6.784 1.00 0.16 C HETATM 2820 C27 DXH A 236 16.885 96.635 5.493 1.00 0.08 C HETATM 2821 C28 DXH A 236 16.214 97.874 5.342 1.00 0.03 C HETATM 2822 N29 DXH A 236 15.629 98.171 6.500 1.00 -0.20 N HETATM 2823 N30 DXH A 236 15.890 97.200 7.364 1.00 -0.19 N HETATM 2824 C31 DXH A 236 15.408 97.190 8.726 1.00 0.06 C HETATM 2825 H14 DXH A 236 14.812 98.096 8.911 1.00 0.06 H HETATM 2826 H15 DXH A 236 16.263 97.167 9.418 1.00 0.06 H HETATM 2827 H16 DXH A 236 14.782 96.300 8.887 1.00 0.06 H HETATM 2828 H13 DXH A 236 16.183 98.478 4.436 1.00 0.07 H HETATM 2829 C32 DXH A 236 18.554 92.972 6.852 1.00 0.04 C HETATM 2830 C33 DXH A 236 19.101 92.089 5.899 1.00 0.03 C HETATM 2831 N34 DXH A 236 19.647 90.952 6.264 1.00 -0.29 N HETATM 2832 C35 DXH A 236 19.699 90.606 7.537 1.00 0.01 C HETATM 2833 C36 DXH A 236 19.174 91.439 8.555 1.00 -0.03 C HETATM 2834 C37 DXH A 236 18.594 92.645 8.205 1.00 -0.03 C HETATM 2835 H20 DXH A 236 18.186 93.311 8.956 1.00 0.08 H HETATM 2836 H19 DXH A 236 19.226 91.136 9.594 1.00 0.07 H HETATM 2837 H18 DXH A 236 20.155 89.661 7.810 1.00 0.08 H HETATM 2838 H17 DXH A 236 19.070 92.353 4.848 1.00 0.09 H HETATM 2839 H12 DXH A 236 17.669 97.118 2.889 1.00 0.22 H HETATM 2840 H1 DXH A 236 21.947 95.858 3.034 1.00 0.04 H HETATM 2841 H2 DXH A 236 20.619 95.808 4.242 1.00 0.04 H HETATM 2842 H3 DXH A 236 20.663 97.114 3.009 1.00 0.04 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 400 401 409 410 411 CONECT 409 400 CONECT 410 400 CONECT 411 400 CONECT 1472 1473 1480 1481 1482 CONECT 1480 1472 CONECT 1481 1472 CONECT 1482 1472 CONECT 2786 2787 2840 2841 2842 CONECT 2787 2786 2788 2792 CONECT 2788 2787 2789 2814 CONECT 2789 2788 2790 2813 CONECT 2790 2789 2791 2795 CONECT 2791 2790 2792 2794 CONECT 2792 2787 2791 2793 CONECT 2793 2792 CONECT 2794 2791 CONECT 2795 2790 2796 2797 CONECT 2796 2795 CONECT 2797 2795 2798 2812 CONECT 2798 2797 2799 2803 CONECT 2799 2798 2800 2811 CONECT 2800 2799 2801 2810 CONECT 2801 2800 2802 2809 CONECT 2802 2801 2803 2805 CONECT 2803 2798 2802 2804 CONECT 2804 2803 CONECT 2805 2802 2806 2807 2808 CONECT 2806 2805 CONECT 2807 2805 CONECT 2808 2805 CONECT 2809 2801 CONECT 2810 2800 CONECT 2811 2799 CONECT 2812 2797 CONECT 2813 2789 CONECT 2814 2788 2815 2839 CONECT 2815 2814 2816 2820 CONECT 2816 2815 2817 CONECT 2817 2816 2818 2829 CONECT 2818 2817 2819 CONECT 2819 2818 2820 2823 CONECT 2820 2815 2819 2821 CONECT 2821 2820 2822 2828 CONECT 2822 2821 2823 CONECT 2823 2819 2822 2824 CONECT 2824 2823 2825 2826 2827 CONECT 2825 2824 CONECT 2826 2824 CONECT 2827 2824 CONECT 2828 2821 CONECT 2829 2817 2830 2834 CONECT 2830 2829 2831 2838 CONECT 2831 2830 2832 CONECT 2832 2831 2833 2837 CONECT 2833 2832 2834 2836 CONECT 2834 2829 2833 2835 CONECT 2835 2834 CONECT 2836 2833 CONECT 2837 2832 CONECT 2838 2830 CONECT 2839 2814 CONECT 2840 2786 CONECT 2841 2786 CONECT 2842 2786 MASTER 0 0 0 0 0 0 0 0 2839 3 69 22 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 6fni
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2vwu
RCSB PDB
PDBbind
302aa, >2VWU_1|Chain... *
2vwv
RCSB PDB
PDBbind
302aa, >2VWV_1|Chain... at 100%
2vww
RCSB PDB
PDBbind
302aa, >2VWW_1|Chain... at 100%
2vwx
RCSB PDB
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%
2vx1
RCSB PDB
PDBbind
302aa, >2VX1_1|Chain... at 100%
2x9f
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%
6fnj
RCSB PDB
PDBbind
297aa, >6FNJ_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6fnf
RCSB PDB
PDBbind
DXH
Entry Information
PDB ID
6fni
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
EphB4 Receptor Protein Kinase
Ligand Name
DXH
EC.Number
E.C.-.-.-.-
Resolution
1.47(Å)
Affinity (Kd/Ki/IC50)
Kd=6nM
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
Cc1ccc(cc1Nc1nc(nc2c1cnn2C)c1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F
InChI String
InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,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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