Browse entries in the PDBbind-CN Database
HEADER 6H96_COMPLEX COMPND 6H96_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 213 LYS MSE TYR ASP ARG TRP PHE SER GLN GLN GLU LEU GLN SEQRES 2 A 213 VAL LEU PRO PHE ALA GLU GLN ASP GLU GLN ARG ASN GLN SEQRES 3 A 213 THR TRP LEU GLU LEU VAL GLY GLU ALA GLN GLN LEU MSE SEQRES 4 A 213 ASP GLU ARG CYS PRO ALA ASP GLU PRO ARG ALA ILE ALA SEQRES 5 A 213 LEU ALA THR ARG TRP MSE GLU GLN LEU GLU GLN ASP THR SEQRES 6 A 213 ALA GLY ARG PRO GLU PHE LEU THR ARG LEU ASN GLU MSE SEQRES 7 A 213 HIS ALA ALA GLU PRO GLN MSE ARG GLU GLN THR GLY VAL SEQRES 8 A 213 THR PRO GLU MSE ILE ASP PHE ILE THR ARG ALA PHE ALA SEQRES 9 A 213 GLU SER LYS LEU ALA ILE TRP ALA ARG TYR LEU ASN ASP SEQRES 10 A 213 GLU GLU LEU ALA PHE THR ARG GLN HIS TYR PHE ASP ARG SEQRES 11 A 213 LEU MSE GLU TRP PRO ALA LEU VAL ALA ASP LEU HIS ARG SEQRES 12 A 213 ALA CYS ARG GLU LYS ARG ASP PRO ALA SER PRO GLY GLY SEQRES 13 A 213 GLN GLN LEU ALA GLN ARG TRP LEU ALA LEU PHE GLN SER SEQRES 14 A 213 TYR ALA GLY LYS ASP ALA GLN THR GLN GLN LYS PHE ARG SEQRES 15 A 213 TYR ALA MSE GLU GLN GLU PRO HIS LEU MSE LYS GLY THR SEQRES 16 A 213 TRP MSE THR SER GLU VAL LEU SER TRP LEU GLN GLN ALA SEQRES 17 A 213 ILE GLY VAL MSE MSE HET MSE A 1 9 HET MSE A 38 9 HET MSE A 57 9 HET MSE A 77 9 HET MSE A 84 9 HET MSE A 94 9 HET MSE A 131 9 HET MSE A 184 9 HET MSE A 191 9 HET MSE A 196 9 HET MSE A 211 9 HET MSE A 212 9 HET FWE A 440 99 ATOM 1 N LYS A 0 -27.878 96.275 56.021 1.00 61.21 N ATOM 2 CA LYS A 0 -28.572 96.025 57.281 1.00 63.05 C ATOM 3 C LYS A 0 -27.600 95.481 58.323 1.00 54.16 C ATOM 4 O LYS A 0 -27.492 96.007 59.430 1.00 49.52 O ATOM 5 CB LYS A 0 -29.725 95.044 57.070 1.00 72.67 C ATOM 6 CG LYS A 0 -30.810 95.557 56.136 1.00 78.67 C ATOM 7 CD LYS A 0 -31.923 94.536 55.960 1.00 85.38 C ATOM 8 CE LYS A 0 -33.042 95.085 55.087 1.00 91.86 C ATOM 9 NZ LYS A 0 -34.146 94.101 54.907 1.00 99.24 N ATOM 10 HZ1 LYS A 0 -33.773 93.242 54.455 1.00 0.00 H ATOM 11 HZ2 LYS A 0 -34.548 93.859 55.835 1.00 0.00 H ATOM 12 HZ3 LYS A 0 -34.886 94.518 54.306 1.00 0.00 H ATOM 13 HN3 LYS A 0 -27.467 95.386 55.671 1.00 0.00 H ATOM 14 HN2 LYS A 0 -27.121 96.971 56.176 1.00 0.00 H ATOM 15 HN1 LYS A 0 -28.553 96.645 55.322 1.00 0.00 H HETATM 16 N MSE A 1 -26.897 94.419 57.951 1.00 52.29 N HETATM 17 CA MSE A 1 -25.896 93.804 58.811 1.00 51.50 C HETATM 18 C MSE A 1 -24.750 94.759 59.120 1.00 43.55 C HETATM 19 O MSE A 1 -24.274 94.826 60.254 1.00 40.34 O HETATM 20 CB MSE A 1 -25.370 92.537 58.140 1.00 59.03 C HETATM 21 CG MSE A 1 -24.140 91.934 58.772 1.00 66.49 C HETATM 22 SE MSE A 1 -23.798 90.200 57.964 1.00 77.04 S HETATM 23 CE MSE A 1 -23.610 90.795 56.112 1.00 75.17 C HETATM 24 H MSE A 1 -27.067 94.011 57.010 1.00 0.00 H ATOM 25 N TYR A 2 -24.302 95.500 58.103 1.00 36.77 N ATOM 26 CA TYR A 2 -23.233 96.466 58.315 1.00 33.26 C ATOM 27 C TYR A 2 -23.610 97.493 59.376 1.00 34.69 C ATOM 28 O TYR A 2 -22.728 98.038 60.052 1.00 34.98 O ATOM 29 CB TYR A 2 -22.893 97.171 57.001 1.00 34.22 C ATOM 30 CG TYR A 2 -22.365 96.256 55.914 1.00 34.66 C ATOM 31 CD1 TYR A 2 -21.340 95.354 56.169 1.00 37.16 C ATOM 32 CD2 TYR A 2 -22.895 96.300 54.630 1.00 37.43 C ATOM 33 CE1 TYR A 2 -20.856 94.520 55.174 1.00 37.87 C ATOM 34 CE2 TYR A 2 -22.420 95.471 53.630 1.00 38.07 C ATOM 35 CZ TYR A 2 -21.402 94.583 53.907 1.00 39.25 C ATOM 36 OH TYR A 2 -20.929 93.759 52.910 1.00 38.01 O ATOM 37 HH TYR A 2 -20.576 94.310 52.167 1.00 0.00 H ATOM 38 H TYR A 2 -24.718 95.387 57.157 1.00 0.00 H ATOM 39 N ASP A 3 -24.909 97.771 59.537 1.00 37.15 N ATOM 40 CA ASP A 3 -25.343 98.787 60.492 1.00 37.89 C ATOM 41 C ASP A 3 -25.018 98.393 61.927 1.00 37.02 C ATOM 42 O ASP A 3 -24.795 99.266 62.774 1.00 40.04 O ATOM 43 CB ASP A 3 -26.846 99.038 60.353 1.00 42.76 C ATOM 44 CG ASP A 3 -27.212 99.697 59.037 1.00 49.56 C ATOM 45 OD1 ASP A 3 -26.333 100.328 58.416 1.00 50.86 O ATOM 46 OD2 ASP A 3 -28.389 99.591 58.630 1.00 56.60 O ATOM 47 H ASP A 3 -25.618 97.257 58.975 1.00 0.00 H ATOM 48 N ARG A 4 -25.001 97.093 62.225 1.00 35.02 N ATOM 49 CA ARG A 4 -24.686 96.632 63.570 1.00 36.13 C ATOM 50 C ARG A 4 -23.200 96.694 63.891 1.00 32.59 C ATOM 51 O ARG A 4 -22.828 96.525 65.058 1.00 34.87 O ATOM 52 CB ARG A 4 -25.166 95.190 63.763 1.00 37.73 C ATOM 53 CG ARG A 4 -26.667 95.038 63.866 1.00 42.67 C ATOM 54 CD ARG A 4 -27.053 93.621 64.254 1.00 45.93 C ATOM 55 NE ARG A 4 -26.780 92.661 63.188 1.00 47.56 N ATOM 56 CZ ARG A 4 -27.564 92.477 62.129 1.00 57.91 C ATOM 57 NH1 ARG A 4 -28.670 93.195 61.985 1.00 64.73 N ATOM 58 NH2 ARG A 4 -27.239 91.579 61.210 1.00 58.80 N ATOM 59 HE ARG A 4 -25.918 92.084 63.261 1.00 0.00 H ATOM 60 HH12 ARG A 4 -29.281 93.049 61.156 1.00 0.00 H ATOM 61 HH11 ARG A 4 -28.926 93.904 62.701 1.00 0.00 H ATOM 62 HH22 ARG A 4 -27.853 91.436 60.383 1.00 0.00 H ATOM 63 HH21 ARG A 4 -26.370 91.017 61.316 1.00 0.00 H ATOM 64 H ARG A 4 -25.217 96.396 61.484 1.00 0.00 H ATOM 65 N TRP A 5 -22.347 96.935 62.893 1.00 29.51 N ATOM 66 CA TRP A 5 -20.912 96.793 63.056 1.00 27.29 C ATOM 67 C TRP A 5 -20.103 98.012 62.656 1.00 27.30 C ATOM 68 O TRP A 5 -18.922 98.085 63.015 1.00 28.03 O ATOM 69 CB TRP A 5 -20.418 95.581 62.254 1.00 24.99 C ATOM 70 CG TRP A 5 -20.940 94.337 62.853 1.00 26.05 C ATOM 71 CD1 TRP A 5 -22.099 93.694 62.541 1.00 26.96 C ATOM 72 CD2 TRP A 5 -20.346 93.605 63.923 1.00 27.24 C ATOM 73 NE1 TRP A 5 -22.254 92.588 63.341 1.00 30.18 N ATOM 74 CE2 TRP A 5 -21.188 92.513 64.199 1.00 30.08 C ATOM 75 CE3 TRP A 5 -19.178 93.764 64.671 1.00 27.92 C ATOM 76 CZ2 TRP A 5 -20.898 91.583 65.190 1.00 31.22 C ATOM 77 CZ3 TRP A 5 -18.890 92.839 65.652 1.00 29.50 C ATOM 78 CH2 TRP A 5 -19.745 91.763 65.903 1.00 31.97 C ATOM 79 HE1 TRP A 5 -23.049 91.918 63.302 1.00 0.00 H ATOM 80 H TRP A 5 -22.722 97.234 61.970 1.00 0.00 H ATOM 81 N PHE A 6 -20.690 98.958 61.932 1.00 27.60 N ATOM 82 CA PHE A 6 -20.010 100.183 61.541 1.00 27.19 C ATOM 83 C PHE A 6 -20.847 101.380 61.959 1.00 29.28 C ATOM 84 O PHE A 6 -22.083 101.329 61.916 1.00 30.98 O ATOM 85 CB PHE A 6 -19.763 100.229 60.030 1.00 28.59 C ATOM 86 CG PHE A 6 -18.824 99.169 59.535 1.00 25.77 C ATOM 87 CD1 PHE A 6 -19.301 97.924 59.167 1.00 23.54 C ATOM 88 CD2 PHE A 6 -17.467 99.420 59.434 1.00 24.15 C ATOM 89 CE1 PHE A 6 -18.438 96.947 58.708 1.00 23.35 C ATOM 90 CE2 PHE A 6 -16.599 98.442 58.977 1.00 21.68 C ATOM 91 CZ PHE A 6 -17.087 97.207 58.618 1.00 23.21 C ATOM 92 H PHE A 6 -21.676 98.817 61.632 1.00 0.00 H ATOM 93 N SER A 7 -20.175 102.450 62.366 1.00 28.13 N ATOM 94 CA SER A 7 -20.858 103.707 62.594 1.00 29.38 C ATOM 95 C SER A 7 -21.379 104.247 61.266 1.00 32.43 C ATOM 96 O SER A 7 -20.868 103.923 60.191 1.00 34.12 O ATOM 97 CB SER A 7 -19.922 104.723 63.245 1.00 32.65 C ATOM 98 OG SER A 7 -19.002 105.242 62.301 1.00 32.60 O ATOM 99 HG SER A 7 -18.408 105.897 62.746 1.00 0.00 H ATOM 100 H SER A 7 -19.149 102.385 62.523 1.00 0.00 H ATOM 101 N GLN A 8 -22.420 105.077 61.343 1.00 37.04 N ATOM 102 CA GLN A 8 -22.997 105.609 60.113 1.00 42.23 C ATOM 103 C GLN A 8 -22.001 106.490 59.373 1.00 38.35 C ATOM 104 O GLN A 8 -22.076 106.611 58.146 1.00 39.96 O ATOM 105 CB GLN A 8 -24.292 106.353 60.427 1.00 55.52 C ATOM 106 CG GLN A 8 -25.491 105.413 60.387 1.00 59.12 C ATOM 107 CD GLN A 8 -26.772 106.048 60.867 1.00 67.66 C ATOM 108 OE1 GLN A 8 -26.867 106.506 62.006 1.00 71.06 O ATOM 109 NE2 GLN A 8 -27.778 106.069 60.001 1.00 67.95 N ATOM 110 HE22 GLN A 8 -27.653 105.670 59.049 1.00 0.00 H ATOM 111 HE21 GLN A 8 -28.691 106.484 60.275 1.00 0.00 H ATOM 112 H GLN A 8 -22.815 105.342 62.268 1.00 0.00 H ATOM 113 N GLN A 9 -21.043 107.083 60.089 1.00 37.22 N ATOM 114 CA GLN A 9 -19.948 107.776 59.419 1.00 39.10 C ATOM 115 C GLN A 9 -19.049 106.790 58.683 1.00 35.66 C ATOM 116 O GLN A 9 -18.678 107.025 57.526 1.00 36.00 O ATOM 117 CB GLN A 9 -19.149 108.584 60.441 1.00 47.32 C ATOM 118 CG GLN A 9 -17.931 109.280 59.869 1.00 57.13 C ATOM 119 CD GLN A 9 -17.566 110.537 60.635 1.00 66.34 C ATOM 120 OE1 GLN A 9 -18.064 110.777 61.736 1.00 66.69 O ATOM 121 NE2 GLN A 9 -16.699 111.354 60.047 1.00 71.61 N ATOM 122 HE22 GLN A 9 -16.304 111.110 59.116 1.00 0.00 H ATOM 123 HE21 GLN A 9 -16.415 112.237 60.517 1.00 0.00 H ATOM 124 H GLN A 9 -21.077 107.051 61.128 1.00 0.00 H ATOM 125 N GLU A 10 -18.703 105.673 59.329 1.00 31.66 N ATOM 126 CA GLU A 10 -17.886 104.660 58.672 1.00 29.04 C ATOM 127 C GLU A 10 -18.589 104.091 57.447 1.00 30.46 C ATOM 128 O GLU A 10 -17.944 103.792 56.435 1.00 30.16 O ATOM 129 CB GLU A 10 -17.550 103.544 59.662 1.00 29.49 C ATOM 130 CG GLU A 10 -16.471 103.922 60.662 1.00 29.67 C ATOM 131 CD GLU A 10 -16.311 102.902 61.769 1.00 30.74 C ATOM 132 OE1 GLU A 10 -17.302 102.212 62.098 1.00 32.06 O ATOM 133 OE2 GLU A 10 -15.192 102.786 62.310 1.00 35.14 O ATOM 134 H GLU A 10 -19.019 105.525 60.309 1.00 0.00 H ATOM 135 N LEU A 11 -19.913 103.930 57.518 1.00 32.84 N ATOM 136 CA LEU A 11 -20.658 103.406 56.381 1.00 36.14 C ATOM 137 C LEU A 11 -20.574 104.324 55.169 1.00 39.61 C ATOM 138 O LEU A 11 -20.754 103.857 54.038 1.00 43.63 O ATOM 139 CB LEU A 11 -22.120 103.188 56.767 1.00 37.36 C ATOM 140 CG LEU A 11 -22.372 102.060 57.768 1.00 36.49 C ATOM 141 CD1 LEU A 11 -23.816 102.069 58.251 1.00 41.33 C ATOM 142 CD2 LEU A 11 -22.025 100.714 57.152 1.00 38.94 C ATOM 143 H LEU A 11 -20.417 104.181 58.393 1.00 0.00 H ATOM 144 N GLN A 12 -20.307 105.616 55.376 1.00 35.13 N ATOM 145 CA GLN A 12 -20.163 106.536 54.257 1.00 34.54 C ATOM 146 C GLN A 12 -18.880 106.295 53.473 1.00 37.17 C ATOM 147 O GLN A 12 -18.797 106.698 52.308 1.00 39.66 O ATOM 148 CB GLN A 12 -20.184 107.980 54.756 1.00 38.16 C ATOM 149 CG GLN A 12 -21.476 108.391 55.431 1.00 44.72 C ATOM 150 CD GLN A 12 -22.618 108.576 54.451 1.00 55.13 C ATOM 151 OE1 GLN A 12 -22.624 108.000 53.363 1.00 56.99 O ATOM 152 NE2 GLN A 12 -23.593 109.392 54.832 1.00 61.64 N ATOM 153 HE22 GLN A 12 -23.548 109.858 55.760 1.00 0.00 H ATOM 154 HE21 GLN A 12 -24.402 109.565 54.202 1.00 0.00 H ATOM 155 H GLN A 12 -20.201 105.969 56.348 1.00 0.00 H ATOM 156 N VAL A 13 -17.882 105.658 54.083 1.00 34.03 N ATOM 157 CA VAL A 13 -16.594 105.432 53.443 1.00 33.99 C ATOM 158 C VAL A 13 -16.284 103.959 53.248 1.00 32.18 C ATOM 159 O VAL A 13 -15.227 103.633 52.703 1.00 36.03 O ATOM 160 CB VAL A 13 -15.452 106.115 54.225 1.00 37.98 C ATOM 161 CG1 VAL A 13 -15.616 107.633 54.184 1.00 42.96 C ATOM 162 CG2 VAL A 13 -15.415 105.618 55.658 1.00 39.52 C ATOM 163 H VAL A 13 -18.028 105.309 55.052 1.00 0.00 H ATOM 164 N LEU A 14 -17.170 103.058 53.672 1.00 31.24 N ATOM 165 CA LEU A 14 -16.979 101.629 53.474 1.00 26.25 C ATOM 166 C LEU A 14 -17.581 101.232 52.128 1.00 26.16 C ATOM 167 O LEU A 14 -18.816 101.217 52.011 1.00 30.31 O ATOM 168 CB LEU A 14 -17.631 100.838 54.599 1.00 26.23 C ATOM 169 CG LEU A 14 -17.588 99.315 54.479 1.00 25.53 C ATOM 170 CD1 LEU A 14 -16.181 98.796 54.719 1.00 23.45 C ATOM 171 CD2 LEU A 14 -18.574 98.674 55.442 1.00 26.75 C ATOM 172 H LEU A 14 -18.027 103.387 54.161 1.00 0.00 H ATOM 173 N PRO A 15 -16.775 100.907 51.120 1.00 25.76 N ATOM 174 CA PRO A 15 -17.368 100.609 49.802 1.00 27.30 C ATOM 175 C PRO A 15 -18.357 99.461 49.827 1.00 29.01 C ATOM 176 O PRO A 15 -19.332 99.487 49.067 1.00 31.79 O ATOM 177 CB PRO A 15 -16.143 100.292 48.932 1.00 28.04 C ATOM 178 CG PRO A 15 -15.031 101.059 49.577 1.00 28.32 C ATOM 179 CD PRO A 15 -15.302 100.942 51.058 1.00 27.09 C ATOM 180 N PHE A 16 -18.145 98.454 50.679 1.00 26.07 N ATOM 181 CA PHE A 16 -19.113 97.368 50.788 1.00 29.77 C ATOM 182 C PHE A 16 -20.527 97.895 50.998 1.00 33.28 C ATOM 183 O PHE A 16 -21.494 97.288 50.528 1.00 35.85 O ATOM 184 CB PHE A 16 -18.749 96.433 51.943 1.00 26.46 C ATOM 185 CG PHE A 16 -17.847 95.296 51.555 1.00 26.55 C ATOM 186 CD1 PHE A 16 -18.232 94.381 50.589 1.00 28.67 C ATOM 187 CD2 PHE A 16 -16.621 95.132 52.177 1.00 27.11 C ATOM 188 CE1 PHE A 16 -17.401 93.329 50.245 1.00 28.13 C ATOM 189 CE2 PHE A 16 -15.790 94.084 51.839 1.00 28.41 C ATOM 190 CZ PHE A 16 -16.179 93.183 50.872 1.00 27.96 C ATOM 191 H PHE A 16 -17.287 98.444 51.267 1.00 0.00 H ATOM 192 N ALA A 17 -20.668 99.015 51.704 1.00 34.78 N ATOM 193 CA ALA A 17 -21.978 99.569 52.020 1.00 38.68 C ATOM 194 C ALA A 17 -22.531 100.466 50.920 1.00 39.50 C ATOM 195 O ALA A 17 -23.647 100.977 51.064 1.00 43.35 O ATOM 196 CB ALA A 17 -21.913 100.350 53.337 1.00 39.97 C ATOM 197 H ALA A 17 -19.817 99.510 52.040 1.00 0.00 H ATOM 198 N GLU A 18 -21.786 100.674 49.835 1.00 38.80 N ATOM 199 CA GLU A 18 -22.311 101.406 48.694 1.00 45.54 C ATOM 200 C GLU A 18 -23.310 100.549 47.922 1.00 52.05 C ATOM 201 O GLU A 18 -23.207 99.320 47.880 1.00 58.35 O ATOM 202 CB GLU A 18 -21.187 101.818 47.744 1.00 52.25 C ATOM 203 CG GLU A 18 -20.217 102.849 48.282 1.00 63.49 C ATOM 204 CD GLU A 18 -18.967 102.958 47.422 1.00 71.43 C ATOM 205 OE1 GLU A 18 -17.950 103.495 47.910 1.00 70.37 O ATOM 206 OE2 GLU A 18 -19.001 102.497 46.261 1.00 75.31 O ATOM 207 H GLU A 18 -20.813 100.307 49.804 1.00 0.00 H ATOM 208 N GLN A 19 -24.277 101.213 47.298 1.00 55.68 N ATOM 209 CA GLN A 19 -25.119 100.570 46.295 1.00 61.37 C ATOM 210 C GLN A 19 -24.317 100.493 45.000 1.00 59.36 C ATOM 211 O GLN A 19 -24.104 101.512 44.334 1.00 63.56 O ATOM 212 CB GLN A 19 -26.413 101.349 46.095 1.00 72.68 C ATOM 213 CG GLN A 19 -27.282 101.448 47.335 1.00 80.51 C ATOM 214 CD GLN A 19 -28.497 102.327 47.117 1.00 93.07 C ATOM 215 OE1 GLN A 19 -28.514 103.170 46.219 1.00 99.10 O ATOM 216 NE2 GLN A 19 -29.525 102.132 47.935 1.00 97.03 N ATOM 217 HE22 GLN A 19 -29.467 101.409 48.680 1.00 0.00 H ATOM 218 HE21 GLN A 19 -30.388 102.703 47.831 1.00 0.00 H ATOM 219 H GLN A 19 -24.437 102.214 47.530 1.00 0.00 H ATOM 220 N ASP A 20 -23.852 99.297 44.649 1.00 55.69 N ATOM 221 CA ASP A 20 -23.051 99.120 43.442 1.00 54.97 C ATOM 222 C ASP A 20 -23.322 97.737 42.872 1.00 54.76 C ATOM 223 O ASP A 20 -22.999 96.730 43.509 1.00 50.47 O ATOM 224 CB ASP A 20 -21.559 99.293 43.737 1.00 55.75 C ATOM 225 CG ASP A 20 -20.730 99.415 42.473 1.00 64.06 C ATOM 226 OD1 ASP A 20 -20.443 100.558 42.059 1.00 69.38 O ATOM 227 OD2 ASP A 20 -20.384 98.372 41.883 1.00 63.23 O ATOM 228 H ASP A 20 -24.063 98.472 45.246 1.00 0.00 H ATOM 229 N GLU A 21 -23.903 97.691 41.672 1.00 38.71 N ATOM 230 CA GLU A 21 -24.253 96.408 41.073 1.00 41.74 C ATOM 231 C GLU A 21 -23.011 95.592 40.740 1.00 35.46 C ATOM 232 O GLU A 21 -22.980 94.379 40.982 1.00 33.67 O ATOM 233 CB GLU A 21 -25.097 96.631 39.817 1.00 49.63 C ATOM 234 CG GLU A 21 -25.606 95.346 39.182 1.00 56.29 C ATOM 235 CD GLU A 21 -26.590 95.600 38.054 1.00 64.63 C ATOM 236 OE1 GLU A 21 -26.676 96.755 37.586 1.00 67.16 O ATOM 237 OE2 GLU A 21 -27.279 94.644 37.640 1.00 66.60 O ATOM 238 H GLU A 21 -24.107 98.574 41.161 1.00 0.00 H ATOM 239 N GLN A 22 -21.978 96.232 40.186 1.00 32.93 N ATOM 240 CA GLN A 22 -20.792 95.491 39.773 1.00 32.26 C ATOM 241 C GLN A 22 -20.068 94.891 40.972 1.00 28.06 C ATOM 242 O GLN A 22 -19.595 93.750 40.909 1.00 28.94 O ATOM 243 CB GLN A 22 -19.845 96.393 38.983 1.00 40.91 C ATOM 244 CG GLN A 22 -18.566 95.692 38.524 1.00 43.63 C ATOM 245 CD GLN A 22 -18.841 94.484 37.645 1.00 43.66 C ATOM 246 OE1 GLN A 22 -18.513 93.350 38.003 1.00 41.25 O ATOM 247 NE2 GLN A 22 -19.440 94.722 36.484 1.00 40.59 N ATOM 248 HE22 GLN A 22 -19.699 95.695 36.222 1.00 0.00 H ATOM 249 HE21 GLN A 22 -19.650 93.936 35.836 1.00 0.00 H ATOM 250 H GLN A 22 -22.020 97.262 40.049 1.00 0.00 H ATOM 251 N ARG A 23 -19.954 95.648 42.069 1.00 29.29 N ATOM 252 CA ARG A 23 -19.312 95.107 43.261 1.00 29.12 C ATOM 253 C ARG A 23 -20.039 93.859 43.748 1.00 26.82 C ATOM 254 O ARG A 23 -19.405 92.856 44.090 1.00 26.79 O ATOM 255 CB ARG A 23 -19.259 96.160 44.368 1.00 33.55 C ATOM 256 CG ARG A 23 -18.599 95.652 45.652 1.00 40.54 C ATOM 257 CD ARG A 23 -18.555 96.715 46.748 1.00 43.73 C ATOM 258 NE ARG A 23 -17.649 97.812 46.413 1.00 50.91 N ATOM 259 CZ ARG A 23 -18.037 99.031 46.038 1.00 55.07 C ATOM 260 NH1 ARG A 23 -19.324 99.339 45.954 1.00 55.07 N ATOM 261 NH2 ARG A 23 -17.127 99.949 45.753 1.00 57.36 N ATOM 262 HE ARG A 23 -16.627 97.628 46.471 1.00 0.00 H ATOM 263 HH12 ARG A 23 -19.612 100.294 45.660 1.00 0.00 H ATOM 264 HH11 ARG A 23 -20.045 98.625 46.182 1.00 0.00 H ATOM 265 HH22 ARG A 23 -17.424 100.902 45.460 1.00 0.00 H ATOM 266 HH21 ARG A 23 -16.115 99.718 45.822 1.00 0.00 H ATOM 267 H ARG A 23 -20.323 96.620 42.072 1.00 0.00 H ATOM 268 N ASN A 24 -21.376 93.901 43.776 1.00 30.19 N ATOM 269 CA ASN A 24 -22.139 92.728 44.189 1.00 33.18 C ATOM 270 C ASN A 24 -21.912 91.562 43.236 1.00 30.09 C ATOM 271 O ASN A 24 -21.714 90.423 43.674 1.00 29.71 O ATOM 272 CB ASN A 24 -23.628 93.069 44.269 1.00 37.85 C ATOM 273 CG ASN A 24 -23.952 93.979 45.434 1.00 47.22 C ATOM 274 OD1 ASN A 24 -23.265 93.966 46.456 1.00 42.73 O ATOM 275 ND2 ASN A 24 -25.006 94.774 45.290 1.00 57.09 N ATOM 276 HD22 ASN A 24 -25.558 94.752 44.409 1.00 0.00 H ATOM 277 HD21 ASN A 24 -25.280 95.419 46.059 1.00 0.00 H ATOM 278 H ASN A 24 -21.873 94.773 43.502 1.00 0.00 H ATOM 279 N GLN A 25 -21.932 91.829 41.927 1.00 28.95 N ATOM 280 CA GLN A 25 -21.688 90.769 40.955 1.00 31.96 C ATOM 281 C GLN A 25 -20.283 90.199 41.106 1.00 30.21 C ATOM 282 O GLN A 25 -20.084 88.980 41.017 1.00 26.22 O ATOM 283 CB GLN A 25 -21.902 91.302 39.539 1.00 32.41 C ATOM 284 CG GLN A 25 -21.704 90.264 38.449 1.00 36.63 C ATOM 285 CD GLN A 25 -22.673 89.101 38.565 1.00 44.07 C ATOM 286 OE1 GLN A 25 -23.790 89.251 39.064 1.00 42.24 O ATOM 287 NE2 GLN A 25 -22.245 87.930 38.108 1.00 45.99 N ATOM 288 HE22 GLN A 25 -21.294 87.849 37.694 1.00 0.00 H ATOM 289 HE21 GLN A 25 -22.861 87.094 38.164 1.00 0.00 H ATOM 290 H GLN A 25 -22.122 92.798 41.599 1.00 0.00 H ATOM 291 N THR A 26 -19.292 91.065 41.333 1.00 26.82 N ATOM 292 CA THR A 26 -17.921 90.600 41.510 1.00 24.17 C ATOM 293 C THR A 26 -17.828 89.599 42.656 1.00 23.20 C ATOM 294 O THR A 26 -17.207 88.539 42.523 1.00 24.37 O ATOM 295 CB THR A 26 -16.993 91.791 41.760 1.00 25.31 C ATOM 296 OG1 THR A 26 -16.923 92.602 40.583 1.00 27.68 O ATOM 297 CG2 THR A 26 -15.595 91.319 42.131 1.00 26.07 C ATOM 298 HG1 THR A 26 -16.322 93.371 40.749 1.00 0.00 H ATOM 299 H THR A 26 -19.500 92.083 41.384 1.00 0.00 H ATOM 300 N TRP A 27 -18.450 89.914 43.794 1.00 25.06 N ATOM 301 CA TRP A 27 -18.356 89.023 44.946 1.00 24.05 C ATOM 302 C TRP A 27 -19.199 87.771 44.759 1.00 25.59 C ATOM 303 O TRP A 27 -18.818 86.698 45.236 1.00 26.97 O ATOM 304 CB TRP A 27 -18.752 89.772 46.218 1.00 27.20 C ATOM 305 CG TRP A 27 -17.592 90.527 46.778 1.00 27.41 C ATOM 306 CD1 TRP A 27 -17.407 91.876 46.779 1.00 26.97 C ATOM 307 CD2 TRP A 27 -16.425 89.960 47.388 1.00 27.30 C ATOM 308 NE1 TRP A 27 -16.202 92.187 47.364 1.00 26.25 N ATOM 309 CE2 TRP A 27 -15.582 91.028 47.746 1.00 26.11 C ATOM 310 CE3 TRP A 27 -16.018 88.654 47.668 1.00 27.77 C ATOM 311 CZ2 TRP A 27 -14.353 90.827 48.372 1.00 25.56 C ATOM 312 CZ3 TRP A 27 -14.799 88.458 48.291 1.00 29.35 C ATOM 313 CH2 TRP A 27 -13.983 89.540 48.638 1.00 27.88 C ATOM 314 HE1 TRP A 27 -15.823 93.147 47.495 1.00 0.00 H ATOM 315 H TRP A 27 -19.001 90.794 43.860 1.00 0.00 H ATOM 316 N LEU A 28 -20.335 87.879 44.068 1.00 27.86 N ATOM 317 CA LEU A 28 -21.082 86.681 43.703 1.00 28.37 C ATOM 318 C LEU A 28 -20.199 85.720 42.916 1.00 27.89 C ATOM 319 O LEU A 28 -20.200 84.510 43.168 1.00 27.73 O ATOM 320 CB LEU A 28 -22.322 87.065 42.898 1.00 30.83 C ATOM 321 CG LEU A 28 -23.214 85.934 42.389 1.00 41.45 C ATOM 322 CD1 LEU A 28 -23.824 85.158 43.542 1.00 45.55 C ATOM 323 CD2 LEU A 28 -24.300 86.501 41.482 1.00 45.84 C ATOM 324 H LEU A 28 -20.688 88.817 43.790 1.00 0.00 H ATOM 325 N GLU A 29 -19.417 86.247 41.968 1.00 25.04 N ATOM 326 CA GLU A 29 -18.526 85.403 41.183 1.00 25.73 C ATOM 327 C GLU A 29 -17.391 84.847 42.036 1.00 24.44 C ATOM 328 O GLU A 29 -17.083 83.651 41.973 1.00 27.15 O ATOM 329 CB GLU A 29 -17.965 86.198 40.003 1.00 30.02 C ATOM 330 CG GLU A 29 -19.005 86.575 38.963 1.00 36.36 C ATOM 331 CD GLU A 29 -18.521 87.664 38.027 1.00 41.22 C ATOM 332 OE1 GLU A 29 -17.312 87.981 38.054 1.00 43.87 O ATOM 333 OE2 GLU A 29 -19.352 88.210 37.274 1.00 41.28 O ATOM 334 H GLU A 29 -19.445 87.271 41.789 1.00 0.00 H ATOM 335 N LEU A 30 -16.748 85.705 42.838 1.00 23.10 N ATOM 336 CA LEU A 30 -15.613 85.259 43.637 1.00 22.64 C ATOM 337 C LEU A 30 -16.023 84.183 44.635 1.00 22.69 C ATOM 338 O LEU A 30 -15.270 83.230 44.873 1.00 23.22 O ATOM 339 CB LEU A 30 -14.988 86.446 44.367 1.00 23.53 C ATOM 340 CG LEU A 30 -14.261 87.466 43.494 1.00 25.25 C ATOM 341 CD1 LEU A 30 -13.781 88.628 44.349 1.00 26.03 C ATOM 342 CD2 LEU A 30 -13.097 86.819 42.757 1.00 24.79 C ATOM 343 H LEU A 30 -17.060 86.696 42.891 1.00 0.00 H ATOM 344 N VAL A 31 -17.201 84.327 45.245 1.00 22.89 N ATOM 345 CA VAL A 31 -17.672 83.328 46.197 1.00 24.03 C ATOM 346 C VAL A 31 -18.080 82.056 45.470 1.00 25.30 C ATOM 347 O VAL A 31 -17.715 80.946 45.875 1.00 24.50 O ATOM 348 CB VAL A 31 -18.833 83.890 47.036 1.00 26.96 C ATOM 349 CG1 VAL A 31 -19.466 82.788 47.880 1.00 28.24 C ATOM 350 CG2 VAL A 31 -18.341 85.025 47.911 1.00 28.48 C ATOM 351 H VAL A 31 -17.789 85.160 45.039 1.00 0.00 H ATOM 352 N GLY A 32 -18.850 82.197 44.388 1.00 27.23 N ATOM 353 CA GLY A 32 -19.270 81.026 43.636 1.00 27.87 C ATOM 354 C GLY A 32 -18.098 80.241 43.083 1.00 24.04 C ATOM 355 O GLY A 32 -18.103 79.009 43.094 1.00 26.25 O ATOM 356 H GLY A 32 -19.149 83.145 44.083 1.00 0.00 H ATOM 357 N GLU A 33 -17.070 80.941 42.604 1.00 23.54 N ATOM 358 CA GLU A 33 -15.913 80.262 42.036 1.00 24.17 C ATOM 359 C GLU A 33 -15.089 79.576 43.117 1.00 21.19 C ATOM 360 O GLU A 33 -14.561 78.480 42.897 1.00 25.10 O ATOM 361 CB GLU A 33 -15.068 81.259 41.241 1.00 34.85 C ATOM 362 CG GLU A 33 -15.692 81.620 39.897 1.00 53.41 C ATOM 363 CD GLU A 33 -15.599 83.098 39.568 1.00 70.10 C ATOM 364 OE1 GLU A 33 -14.762 83.801 40.173 1.00 75.21 O ATOM 365 OE2 GLU A 33 -16.371 83.559 38.700 1.00 75.90 O ATOM 366 H GLU A 33 -17.094 81.980 42.636 1.00 0.00 H ATOM 367 N ALA A 34 -14.974 80.194 44.293 1.00 21.40 N ATOM 368 CA ALA A 34 -14.302 79.532 45.404 1.00 20.35 C ATOM 369 C ALA A 34 -15.025 78.245 45.782 1.00 20.43 C ATOM 370 O ALA A 34 -14.400 77.188 45.947 1.00 22.40 O ATOM 371 CB ALA A 34 -14.214 80.475 46.607 1.00 21.51 C ATOM 372 H ALA A 34 -15.364 81.150 44.418 1.00 0.00 H ATOM 373 N GLN A 35 -16.350 78.308 45.918 1.00 21.84 N ATOM 374 CA GLN A 35 -17.102 77.114 46.292 1.00 22.95 C ATOM 375 C GLN A 35 -16.987 76.034 45.226 1.00 24.75 C ATOM 376 O GLN A 35 -16.949 74.843 45.553 1.00 26.18 O ATOM 377 CB GLN A 35 -18.566 77.470 46.540 1.00 27.09 C ATOM 378 CG GLN A 35 -19.364 76.351 47.200 1.00 29.52 C ATOM 379 CD GLN A 35 -18.832 75.989 48.576 1.00 34.57 C ATOM 380 OE1 GLN A 35 -18.950 76.766 49.526 1.00 34.38 O ATOM 381 NE2 GLN A 35 -18.235 74.807 48.687 1.00 35.14 N ATOM 382 HE22 GLN A 35 -18.158 74.183 47.858 1.00 0.00 H ATOM 383 HE21 GLN A 35 -17.845 74.506 49.603 1.00 0.00 H ATOM 384 H GLN A 35 -16.847 79.207 45.758 1.00 0.00 H ATOM 385 N GLN A 36 -16.912 76.423 43.952 1.00 26.17 N ATOM 386 CA GLN A 36 -16.787 75.428 42.891 1.00 28.50 C ATOM 387 C GLN A 36 -15.453 74.699 42.981 1.00 27.21 C ATOM 388 O GLN A 36 -15.401 73.471 42.861 1.00 28.43 O ATOM 389 CB GLN A 36 -16.949 76.094 41.525 1.00 31.42 C ATOM 390 CG GLN A 36 -16.982 75.118 40.360 1.00 45.22 C ATOM 391 CD GLN A 36 -17.301 75.796 39.040 1.00 60.83 C ATOM 392 OE1 GLN A 36 -17.584 76.993 38.995 1.00 66.02 O ATOM 393 NE2 GLN A 36 -17.258 75.029 37.957 1.00 67.67 N ATOM 394 HE22 GLN A 36 -17.014 74.022 38.043 1.00 0.00 H ATOM 395 HE21 GLN A 36 -17.468 75.436 37.023 1.00 0.00 H ATOM 396 H GLN A 36 -16.943 77.435 43.715 1.00 0.00 H ATOM 397 N LEU A 37 -14.360 75.437 43.209 1.00 23.31 N ATOM 398 CA LEU A 37 -13.063 74.791 43.373 1.00 23.68 C ATOM 399 C LEU A 37 -13.071 73.852 44.574 1.00 24.02 C ATOM 400 O LEU A 37 -12.541 72.740 44.510 1.00 24.06 O ATOM 401 CB LEU A 37 -11.966 75.842 43.524 1.00 23.37 C ATOM 402 CG LEU A 37 -11.669 76.724 42.310 1.00 25.00 C ATOM 403 CD1 LEU A 37 -10.520 77.671 42.619 1.00 23.88 C ATOM 404 CD2 LEU A 37 -11.346 75.887 41.082 1.00 27.70 C ATOM 405 H LEU A 37 -14.436 76.472 43.269 1.00 0.00 H HETATM 406 N MSE A 38 -13.662 74.287 45.680 1.00 24.29 N HETATM 407 CA MSE A 38 -13.747 73.457 46.875 1.00 24.55 C HETATM 408 C MSE A 38 -14.588 72.214 46.618 1.00 26.56 C HETATM 409 O MSE A 38 -14.238 71.116 47.060 1.00 26.59 O HETATM 410 CB MSE A 38 -14.321 74.271 48.029 1.00 25.49 C HETATM 411 CG MSE A 38 -13.415 75.412 48.443 1.00 23.29 C HETATM 412 SE MSE A 38 -14.292 76.713 49.564 1.00 26.08 S HETATM 413 CE MSE A 38 -14.466 75.661 51.194 1.00 24.73 C HETATM 414 H MSE A 38 -14.074 75.242 45.694 1.00 0.00 H ATOM 415 N ASP A 39 -15.696 72.383 45.892 1.00 27.99 N ATOM 416 CA ASP A 39 -16.537 71.239 45.547 1.00 28.54 C ATOM 417 C ASP A 39 -15.757 70.197 44.754 1.00 29.84 C ATOM 418 O ASP A 39 -15.994 68.992 44.898 1.00 33.37 O ATOM 419 CB ASP A 39 -17.754 71.704 44.747 1.00 30.11 C ATOM 420 CG ASP A 39 -18.781 72.417 45.599 1.00 32.98 C ATOM 421 OD1 ASP A 39 -18.628 72.437 46.841 1.00 33.14 O ATOM 422 OD2 ASP A 39 -19.744 72.963 45.022 1.00 35.89 O ATOM 423 H ASP A 39 -15.962 73.335 45.570 1.00 0.00 H ATOM 424 N GLU A 40 -14.834 70.643 43.906 1.00 28.92 N ATOM 425 CA GLU A 40 -14.019 69.758 43.086 1.00 31.06 C ATOM 426 C GLU A 40 -12.744 69.312 43.788 1.00 29.05 C ATOM 427 O GLU A 40 -11.878 68.707 43.148 1.00 32.66 O ATOM 428 CB GLU A 40 -13.677 70.453 41.765 1.00 34.88 C ATOM 429 CG GLU A 40 -14.899 70.712 40.897 1.00 47.50 C ATOM 430 CD GLU A 40 -14.660 71.755 39.822 1.00 54.78 C ATOM 431 OE1 GLU A 40 -13.501 72.176 39.636 1.00 56.19 O ATOM 432 OE2 GLU A 40 -15.644 72.160 39.166 1.00 58.00 O ATOM 433 H GLU A 40 -14.688 71.670 43.825 1.00 0.00 H ATOM 434 N ARG A 41 -12.617 69.593 45.085 1.00 26.67 N ATOM 435 CA ARG A 41 -11.448 69.200 45.871 1.00 27.98 C ATOM 436 C ARG A 41 -10.166 69.795 45.292 1.00 26.89 C ATOM 437 O ARG A 41 -9.104 69.170 45.303 1.00 28.23 O ATOM 438 CB ARG A 41 -11.339 67.679 45.970 1.00 28.36 C ATOM 439 CG ARG A 41 -12.616 66.983 46.408 1.00 30.25 C ATOM 440 CD ARG A 41 -12.381 65.495 46.580 1.00 35.76 C ATOM 441 NE ARG A 41 -13.601 64.777 46.940 1.00 40.31 N ATOM 442 CZ ARG A 41 -13.714 63.452 46.939 1.00 49.94 C ATOM 443 NH1 ARG A 41 -12.682 62.696 46.591 1.00 54.08 N ATOM 444 NH2 ARG A 41 -14.862 62.884 47.280 1.00 52.43 N ATOM 445 HE ARG A 41 -14.433 65.337 47.214 1.00 0.00 H ATOM 446 HH12 ARG A 41 -12.773 61.660 46.591 1.00 0.00 H ATOM 447 HH11 ARG A 41 -11.782 63.139 46.318 1.00 0.00 H ATOM 448 HH22 ARG A 41 -14.950 61.848 47.279 1.00 0.00 H ATOM 449 HH21 ARG A 41 -15.675 63.475 47.548 1.00 0.00 H ATOM 450 H ARG A 41 -13.382 70.114 45.558 1.00 0.00 H ATOM 451 N CYS A 42 -10.266 71.011 44.785 1.00 23.64 N ATOM 452 CA CYS A 42 -9.104 71.700 44.246 1.00 24.75 C ATOM 453 C CYS A 42 -8.119 72.018 45.362 1.00 23.72 C ATOM 454 O CYS A 42 -8.503 72.656 46.348 1.00 25.86 O ATOM 455 CB CYS A 42 -9.549 72.981 43.547 1.00 25.64 C ATOM 456 SG CYS A 42 -8.207 73.904 42.789 1.00 26.64 S ATOM 457 H CYS A 42 -11.192 71.484 44.771 1.00 0.00 H ATOM 458 N PRO A 43 -6.860 71.596 45.266 1.00 23.26 N ATOM 459 CA PRO A 43 -5.878 71.996 46.281 1.00 23.41 C ATOM 460 C PRO A 43 -5.596 73.489 46.233 1.00 21.40 C ATOM 461 O PRO A 43 -5.716 74.145 45.196 1.00 22.18 O ATOM 462 CB PRO A 43 -4.628 71.181 45.924 1.00 27.17 C ATOM 463 CG PRO A 43 -4.821 70.744 44.518 1.00 31.99 C ATOM 464 CD PRO A 43 -6.296 70.654 44.279 1.00 28.56 C ATOM 465 N ALA A 44 -5.210 74.031 47.386 1.00 20.97 N ATOM 466 CA ALA A 44 -4.972 75.465 47.476 1.00 20.34 C ATOM 467 C ALA A 44 -3.758 75.908 46.674 1.00 20.88 C ATOM 468 O ALA A 44 -3.631 77.105 46.382 1.00 22.21 O ATOM 469 CB ALA A 44 -4.807 75.875 48.942 1.00 24.61 C ATOM 470 H ALA A 44 -5.078 73.429 48.224 1.00 0.00 H ATOM 471 N ASP A 45 -2.868 74.986 46.305 1.00 23.98 N ATOM 472 CA ASP A 45 -1.685 75.326 45.527 1.00 25.82 C ATOM 473 C ASP A 45 -1.889 75.106 44.031 1.00 25.83 C ATOM 474 O ASP A 45 -0.915 75.080 43.272 1.00 29.99 O ATOM 475 CB ASP A 45 -0.472 74.539 46.031 1.00 30.91 C ATOM 476 CG ASP A 45 -0.682 73.040 45.996 1.00 34.48 C ATOM 477 OD1 ASP A 45 -1.722 72.589 45.475 1.00 32.99 O ATOM 478 OD2 ASP A 45 0.200 72.307 46.495 1.00 36.60 O ATOM 479 H ASP A 45 -3.023 73.995 46.581 1.00 0.00 H ATOM 480 N GLU A 46 -3.131 74.956 43.592 1.00 23.04 N ATOM 481 CA GLU A 46 -3.440 74.874 42.171 1.00 24.88 C ATOM 482 C GLU A 46 -3.525 76.286 41.587 1.00 22.24 C ATOM 483 O GLU A 46 -4.028 77.197 42.244 1.00 21.82 O ATOM 484 CB GLU A 46 -4.756 74.125 41.967 1.00 31.99 C ATOM 485 CG GLU A 46 -4.972 73.587 40.564 1.00 45.93 C ATOM 486 CD GLU A 46 -5.549 74.626 39.632 1.00 55.63 C ATOM 487 OE1 GLU A 46 -6.345 75.455 40.104 1.00 59.53 O ATOM 488 OE2 GLU A 46 -5.202 74.623 38.433 1.00 63.14 O ATOM 489 H GLU A 46 -3.907 74.895 44.282 1.00 0.00 H ATOM 490 N PRO A 47 -3.027 76.500 40.362 1.00 21.48 N ATOM 491 CA PRO A 47 -2.984 77.880 39.840 1.00 19.16 C ATOM 492 C PRO A 47 -4.322 78.607 39.833 1.00 18.33 C ATOM 493 O PRO A 47 -4.342 79.827 40.047 1.00 17.49 O ATOM 494 CB PRO A 47 -2.430 77.688 38.421 1.00 20.05 C ATOM 495 CG PRO A 47 -1.544 76.495 38.551 1.00 22.94 C ATOM 496 CD PRO A 47 -2.286 75.566 39.493 1.00 21.17 C ATOM 497 N ARG A 48 -5.442 77.922 39.568 1.00 19.07 N ATOM 498 CA ARG A 48 -6.723 78.626 39.594 1.00 19.38 C ATOM 499 C ARG A 48 -7.042 79.122 40.998 1.00 18.35 C ATOM 500 O ARG A 48 -7.588 80.216 41.170 1.00 19.84 O ATOM 501 CB ARG A 48 -7.851 77.724 39.097 1.00 22.21 C ATOM 502 CG ARG A 48 -7.796 77.364 37.635 1.00 25.09 C ATOM 503 CD ARG A 48 -8.893 76.356 37.321 1.00 27.08 C ATOM 504 NE ARG A 48 -8.678 75.099 38.032 1.00 32.12 N ATOM 505 CZ ARG A 48 -9.633 74.216 38.318 1.00 36.68 C ATOM 506 NH1 ARG A 48 -10.891 74.449 37.970 1.00 36.08 N ATOM 507 NH2 ARG A 48 -9.326 73.103 38.966 1.00 37.62 N ATOM 508 HE ARG A 48 -7.709 74.877 38.337 1.00 0.00 H ATOM 509 HH12 ARG A 48 -11.631 73.754 38.197 1.00 0.00 H ATOM 510 HH11 ARG A 48 -11.138 75.327 37.470 1.00 0.00 H ATOM 511 HH22 ARG A 48 -10.069 72.411 39.191 1.00 0.00 H ATOM 512 HH21 ARG A 48 -8.342 72.921 39.250 1.00 0.00 H ATOM 513 H ARG A 48 -5.401 76.906 39.347 1.00 0.00 H ATOM 514 N ALA A 49 -6.717 78.324 42.019 1.00 17.89 N ATOM 515 CA ALA A 49 -6.960 78.739 43.394 1.00 18.61 C ATOM 516 C ALA A 49 -6.074 79.917 43.774 1.00 18.48 C ATOM 517 O ALA A 49 -6.538 80.880 44.399 1.00 16.08 O ATOM 518 CB ALA A 49 -6.724 77.565 44.344 1.00 18.85 C ATOM 519 H ALA A 49 -6.286 77.397 41.830 1.00 0.00 H ATOM 520 N ILE A 50 -4.793 79.852 43.404 1.00 18.01 N ATOM 521 CA ILE A 50 -3.864 80.940 43.696 1.00 16.48 C ATOM 522 C ILE A 50 -4.336 82.229 43.035 1.00 18.47 C ATOM 523 O ILE A 50 -4.369 83.294 43.661 1.00 16.39 O ATOM 524 CB ILE A 50 -2.440 80.555 43.253 1.00 17.55 C ATOM 525 CG1 ILE A 50 -1.894 79.448 44.170 1.00 19.22 C ATOM 526 CG2 ILE A 50 -1.531 81.763 43.255 1.00 20.96 C ATOM 527 CD1 ILE A 50 -0.558 78.868 43.749 1.00 18.64 C ATOM 528 H ILE A 50 -4.450 79.010 42.898 1.00 0.00 H ATOM 529 N ALA A 51 -4.725 82.151 41.756 1.00 18.29 N ATOM 530 CA ALA A 51 -5.207 83.341 41.065 1.00 16.15 C ATOM 531 C ALA A 51 -6.480 83.880 41.710 1.00 17.51 C ATOM 532 O ALA A 51 -6.646 85.099 41.859 1.00 18.67 O ATOM 533 CB ALA A 51 -5.448 83.026 39.587 1.00 19.53 C ATOM 534 H ALA A 51 -4.683 81.241 41.255 1.00 0.00 H ATOM 535 N LEU A 52 -7.400 82.986 42.084 1.00 17.78 N ATOM 536 CA LEU A 52 -8.625 83.412 42.754 1.00 17.39 C ATOM 537 C LEU A 52 -8.322 84.118 44.067 1.00 17.96 C ATOM 538 O LEU A 52 -8.914 85.170 44.364 1.00 18.01 O ATOM 539 CB LEU A 52 -9.525 82.200 42.994 1.00 19.12 C ATOM 540 CG LEU A 52 -10.831 82.491 43.739 1.00 20.27 C ATOM 541 CD1 LEU A 52 -11.679 83.484 42.959 1.00 22.31 C ATOM 542 CD2 LEU A 52 -11.599 81.210 44.007 1.00 20.72 C ATOM 543 H LEU A 52 -7.242 81.976 41.896 1.00 0.00 H ATOM 544 N ALA A 53 -7.403 83.572 44.861 1.00 16.12 N ATOM 545 CA ALA A 53 -7.107 84.155 46.166 1.00 16.07 C ATOM 546 C ALA A 53 -6.428 85.514 46.026 1.00 16.78 C ATOM 547 O ALA A 53 -6.699 86.432 46.810 1.00 16.95 O ATOM 548 CB ALA A 53 -6.234 83.201 46.979 1.00 17.66 C ATOM 549 H ALA A 53 -6.891 82.722 44.548 1.00 0.00 H ATOM 550 N THR A 54 -5.523 85.650 45.058 1.00 16.71 N ATOM 551 CA THR A 54 -4.921 86.948 44.773 1.00 16.77 C ATOM 552 C THR A 54 -5.991 87.975 44.421 1.00 19.31 C ATOM 553 O THR A 54 -5.930 89.131 44.861 1.00 19.42 O ATOM 554 CB THR A 54 -3.911 86.804 43.633 1.00 18.68 C ATOM 555 OG1 THR A 54 -2.807 85.994 44.068 1.00 20.22 O ATOM 556 CG2 THR A 54 -3.394 88.155 43.180 1.00 21.29 C ATOM 557 HG1 THR A 54 -2.155 85.902 43.329 1.00 0.00 H ATOM 558 H THR A 54 -5.242 84.820 44.498 1.00 0.00 H ATOM 559 N ARG A 55 -6.988 87.569 43.634 1.00 18.91 N ATOM 560 CA ARG A 55 -8.066 88.482 43.267 1.00 18.45 C ATOM 561 C ARG A 55 -8.942 88.806 44.470 1.00 20.52 C ATOM 562 O ARG A 55 -9.351 89.963 44.647 1.00 20.09 O ATOM 563 CB ARG A 55 -8.886 87.869 42.132 1.00 21.82 C ATOM 564 CG ARG A 55 -9.977 88.763 41.583 1.00 22.96 C ATOM 565 CD ARG A 55 -9.425 89.966 40.835 1.00 29.81 C ATOM 566 NE ARG A 55 -10.513 90.766 40.278 1.00 50.77 N ATOM 567 CZ ARG A 55 -11.199 91.680 40.961 1.00 61.61 C ATOM 568 NH1 ARG A 55 -10.911 91.922 42.230 1.00 60.44 N ATOM 569 NH2 ARG A 55 -12.179 92.349 40.370 1.00 69.26 N ATOM 570 HE ARG A 55 -10.769 90.611 39.282 1.00 0.00 H ATOM 571 HH12 ARG A 55 -11.450 92.637 42.758 1.00 0.00 H ATOM 572 HH11 ARG A 55 -10.145 91.397 42.699 1.00 0.00 H ATOM 573 HH22 ARG A 55 -12.716 93.063 40.902 1.00 0.00 H ATOM 574 HH21 ARG A 55 -12.411 92.160 39.374 1.00 0.00 H ATOM 575 H ARG A 55 -6.998 86.592 43.278 1.00 0.00 H ATOM 576 N TRP A 56 -9.240 87.804 45.305 1.00 20.84 N ATOM 577 CA TRP A 56 -9.971 88.041 46.547 1.00 19.98 C ATOM 578 C TRP A 56 -9.323 89.147 47.370 1.00 18.73 C ATOM 579 O TRP A 56 -10.000 90.056 47.863 1.00 19.37 O ATOM 580 CB TRP A 56 -10.018 86.768 47.394 1.00 20.58 C ATOM 581 CG TRP A 56 -11.215 85.902 47.225 1.00 22.42 C ATOM 582 CD1 TRP A 56 -11.614 85.276 46.083 1.00 22.61 C ATOM 583 CD2 TRP A 56 -12.152 85.520 48.242 1.00 20.17 C ATOM 584 NE1 TRP A 56 -12.751 84.538 46.321 1.00 21.63 N ATOM 585 CE2 TRP A 56 -13.103 84.677 47.640 1.00 19.85 C ATOM 586 CE3 TRP A 56 -12.284 85.818 49.604 1.00 20.83 C ATOM 587 CZ2 TRP A 56 -14.170 84.123 48.345 1.00 21.18 C ATOM 588 CZ3 TRP A 56 -13.345 85.266 50.308 1.00 21.83 C ATOM 589 CH2 TRP A 56 -14.275 84.430 49.675 1.00 24.55 C ATOM 590 HE1 TRP A 56 -13.260 83.968 45.616 1.00 0.00 H ATOM 591 H TRP A 56 -8.945 86.836 45.065 1.00 0.00 H HETATM 592 N MSE A 57 -8.010 89.059 47.557 1.00 18.47 N HETATM 593 CA MSE A 57 -7.300 90.011 48.406 1.00 17.37 C HETATM 594 C MSE A 57 -7.300 91.410 47.794 1.00 19.66 C HETATM 595 O MSE A 57 -7.482 92.396 48.504 1.00 21.26 O HETATM 596 CB MSE A 57 -5.868 89.533 48.659 1.00 18.92 C HETATM 597 CG MSE A 57 -5.755 88.358 49.622 1.00 16.54 C HETATM 598 SE MSE A 57 -6.538 88.676 51.408 1.00 24.56 S HETATM 599 CE MSE A 57 -8.224 87.721 51.152 1.00 20.55 C HETATM 600 H MSE A 57 -7.478 88.297 47.089 1.00 0.00 H ATOM 601 N GLU A 58 -7.106 91.497 46.477 1.00 18.83 N ATOM 602 CA GLU A 58 -7.214 92.784 45.797 1.00 21.74 C ATOM 603 C GLU A 58 -8.597 93.388 46.005 1.00 21.28 C ATOM 604 O GLU A 58 -8.734 94.567 46.354 1.00 21.62 O ATOM 605 CB GLU A 58 -6.939 92.618 44.300 1.00 29.09 C ATOM 606 CG GLU A 58 -5.503 92.294 43.939 1.00 44.23 C ATOM 607 CD GLU A 58 -5.351 91.847 42.490 1.00 52.12 C ATOM 608 OE1 GLU A 58 -6.380 91.616 41.820 1.00 49.85 O ATOM 609 OE2 GLU A 58 -4.198 91.724 42.023 1.00 51.74 O ATOM 610 H GLU A 58 -6.876 90.642 45.931 1.00 0.00 H ATOM 611 N GLN A 59 -9.644 92.588 45.779 1.00 20.24 N ATOM 612 CA GLN A 59 -11.003 93.096 45.897 1.00 19.11 C ATOM 613 C GLN A 59 -11.328 93.474 47.335 1.00 19.62 C ATOM 614 O GLN A 59 -11.981 94.498 47.582 1.00 21.88 O ATOM 615 CB GLN A 59 -11.996 92.053 45.385 1.00 21.07 C ATOM 616 CG GLN A 59 -13.411 92.578 45.245 1.00 22.76 C ATOM 617 CD GLN A 59 -13.560 93.572 44.100 1.00 24.12 C ATOM 618 OE1 GLN A 59 -12.861 93.488 43.087 1.00 24.55 O ATOM 619 NE2 GLN A 59 -14.477 94.522 44.256 1.00 27.03 N ATOM 620 HE22 GLN A 59 -15.046 94.558 45.126 1.00 0.00 H ATOM 621 HE21 GLN A 59 -14.625 95.229 43.508 1.00 0.00 H ATOM 622 H GLN A 59 -9.486 91.594 45.517 1.00 0.00 H ATOM 623 N LEU A 60 -10.886 92.660 48.295 1.00 18.52 N ATOM 624 CA LEU A 60 -11.202 92.919 49.693 1.00 18.16 C ATOM 625 C LEU A 60 -10.529 94.194 50.183 1.00 19.79 C ATOM 626 O LEU A 60 -11.127 94.959 50.951 1.00 21.74 O ATOM 627 CB LEU A 60 -10.783 91.722 50.543 1.00 18.90 C ATOM 628 CG LEU A 60 -11.145 91.774 52.027 1.00 21.12 C ATOM 629 CD1 LEU A 60 -12.638 91.961 52.215 1.00 24.45 C ATOM 630 CD2 LEU A 60 -10.671 90.503 52.717 1.00 21.65 C ATOM 631 H LEU A 60 -10.310 91.832 48.043 1.00 0.00 H ATOM 632 N GLU A 61 -9.290 94.446 49.754 1.00 19.12 N ATOM 633 CA GLU A 61 -8.641 95.699 50.127 1.00 21.30 C ATOM 634 C GLU A 61 -9.340 96.887 49.475 1.00 19.97 C ATOM 635 O GLU A 61 -9.515 97.936 50.105 1.00 22.13 O ATOM 636 CB GLU A 61 -7.165 95.674 49.751 1.00 24.66 C ATOM 637 CG GLU A 61 -6.405 96.899 50.236 1.00 32.32 C ATOM 638 CD GLU A 61 -4.904 96.774 50.072 1.00 41.36 C ATOM 639 OE1 GLU A 61 -4.423 95.669 49.741 1.00 40.47 O ATOM 640 OE2 GLU A 61 -4.203 97.788 50.275 1.00 43.01 O ATOM 641 H GLU A 61 -8.791 93.755 49.158 1.00 0.00 H ATOM 642 N GLN A 62 -9.754 96.740 48.210 1.00 21.01 N ATOM 643 CA GLN A 62 -10.501 97.805 47.551 1.00 26.93 C ATOM 644 C GLN A 62 -11.800 98.102 48.291 1.00 23.38 C ATOM 645 O GLN A 62 -12.144 99.264 48.528 1.00 22.62 O ATOM 646 CB GLN A 62 -10.800 97.421 46.099 1.00 37.13 C ATOM 647 CG GLN A 62 -9.595 97.467 45.174 1.00 56.94 C ATOM 648 CD GLN A 62 -9.875 97.056 43.753 1.00 69.95 C ATOM 649 OE1 GLN A 62 -10.764 96.202 43.509 1.00 72.21 O ATOM 650 NE2 GLN A 62 -9.365 97.811 42.789 1.00 72.54 N ATOM 651 HE22 GLN A 62 -8.630 98.512 43.012 1.00 0.00 H ATOM 652 HE21 GLN A 62 -9.700 97.702 41.811 1.00 0.00 H ATOM 653 H GLN A 62 -9.542 95.862 47.695 1.00 0.00 H ATOM 654 N ASP A 63 -12.536 97.054 48.666 1.00 21.05 N ATOM 655 CA ASP A 63 -13.869 97.223 49.229 1.00 21.73 C ATOM 656 C ASP A 63 -13.856 97.515 50.724 1.00 22.03 C ATOM 657 O ASP A 63 -14.920 97.798 51.284 1.00 23.97 O ATOM 658 CB ASP A 63 -14.708 95.976 48.928 1.00 24.47 C ATOM 659 CG ASP A 63 -15.039 95.847 47.447 1.00 26.60 C ATOM 660 OD1 ASP A 63 -14.939 96.866 46.727 1.00 26.45 O ATOM 661 OD2 ASP A 63 -15.405 94.740 46.999 1.00 25.35 O ATOM 662 H ASP A 63 -12.149 96.095 48.554 1.00 0.00 H ATOM 663 N THR A 64 -12.693 97.470 51.370 1.00 18.65 N ATOM 664 CA THR A 64 -12.515 98.060 52.691 1.00 21.30 C ATOM 665 C THR A 64 -11.835 99.423 52.613 1.00 23.41 C ATOM 666 O THR A 64 -11.412 99.956 53.642 1.00 21.82 O ATOM 667 CB THR A 64 -11.712 97.131 53.611 1.00 21.83 C ATOM 668 OG1 THR A 64 -10.469 96.755 52.999 1.00 20.70 O ATOM 669 CG2 THR A 64 -12.516 95.887 53.960 1.00 23.64 C ATOM 670 HG1 THR A 64 -10.651 96.282 52.148 1.00 0.00 H ATOM 671 H THR A 64 -11.884 96.998 50.917 1.00 0.00 H ATOM 672 N ALA A 65 -11.712 99.987 51.410 1.00 23.53 N ATOM 673 CA ALA A 65 -11.060 101.280 51.206 1.00 24.97 C ATOM 674 C ALA A 65 -9.662 101.305 51.817 1.00 24.39 C ATOM 675 O ALA A 65 -9.201 102.334 52.315 1.00 27.10 O ATOM 676 CB ALA A 65 -11.913 102.419 51.769 1.00 25.47 C ATOM 677 H ALA A 65 -12.096 99.486 50.583 1.00 0.00 H ATOM 678 N GLY A 66 -8.975 100.166 51.778 1.00 23.82 N ATOM 679 CA GLY A 66 -7.625 100.097 52.296 1.00 22.99 C ATOM 680 C GLY A 66 -7.492 100.299 53.786 1.00 22.23 C ATOM 681 O GLY A 66 -6.387 100.538 54.273 1.00 23.81 O ATOM 682 H GLY A 66 -9.413 99.315 51.371 1.00 0.00 H ATOM 683 N ARG A 67 -8.594 100.216 54.535 1.00 22.10 N ATOM 684 CA ARG A 67 -8.556 100.463 55.966 1.00 22.82 C ATOM 685 C ARG A 67 -8.446 99.145 56.708 1.00 21.34 C ATOM 686 O ARG A 67 -9.421 98.378 56.735 1.00 21.76 O ATOM 687 CB ARG A 67 -9.801 101.228 56.417 1.00 27.39 C ATOM 688 CG ARG A 67 -9.879 102.625 55.834 1.00 31.29 C ATOM 689 CD ARG A 67 -10.634 103.583 56.735 1.00 41.82 C ATOM 690 NE ARG A 67 -10.827 104.871 56.076 1.00 56.09 N ATOM 691 CZ ARG A 67 -11.679 105.807 56.483 1.00 64.09 C ATOM 692 NH1 ARG A 67 -12.431 105.605 57.557 1.00 69.44 N ATOM 693 NH2 ARG A 67 -11.781 106.944 55.810 1.00 64.65 N ATOM 694 HE ARG A 67 -10.258 105.071 55.229 1.00 0.00 H ATOM 695 HH12 ARG A 67 -13.096 106.340 57.872 1.00 0.00 H ATOM 696 HH11 ARG A 67 -12.355 104.712 58.084 1.00 0.00 H ATOM 697 HH22 ARG A 67 -12.447 107.678 56.126 1.00 0.00 H ATOM 698 HH21 ARG A 67 -11.195 107.103 54.965 1.00 0.00 H ATOM 699 H ARG A 67 -9.498 99.969 54.085 1.00 0.00 H ATOM 700 N PRO A 68 -7.300 98.833 57.322 1.00 21.68 N ATOM 701 CA PRO A 68 -7.200 97.562 58.053 1.00 22.02 C ATOM 702 C PRO A 68 -8.221 97.436 59.170 1.00 21.47 C ATOM 703 O PRO A 68 -8.676 96.318 59.448 1.00 22.40 O ATOM 704 CB PRO A 68 -5.760 97.575 58.586 1.00 22.42 C ATOM 705 CG PRO A 68 -5.384 99.025 58.634 1.00 24.27 C ATOM 706 CD PRO A 68 -6.069 99.639 57.446 1.00 23.67 C ATOM 707 N GLU A 69 -8.618 98.546 59.804 1.00 24.32 N ATOM 708 CA GLU A 69 -9.617 98.454 60.862 1.00 26.99 C ATOM 709 C GLU A 69 -10.967 98.005 60.318 1.00 24.55 C ATOM 710 O GLU A 69 -11.760 97.406 61.054 1.00 27.29 O ATOM 711 CB GLU A 69 -9.747 99.792 61.600 1.00 32.81 C ATOM 712 CG GLU A 69 -10.353 100.925 60.792 1.00 39.74 C ATOM 713 CD GLU A 69 -9.313 101.763 60.077 1.00 51.84 C ATOM 714 OE1 GLU A 69 -9.525 102.986 59.937 1.00 56.64 O ATOM 715 OE2 GLU A 69 -8.279 101.199 59.659 1.00 54.07 O ATOM 716 H GLU A 69 -8.216 99.469 59.543 1.00 0.00 H ATOM 717 N PHE A 70 -11.247 98.270 59.032 1.00 22.90 N ATOM 718 CA PHE A 70 -12.464 97.749 58.425 1.00 22.29 C ATOM 719 C PHE A 70 -12.332 96.253 58.147 1.00 22.14 C ATOM 720 O PHE A 70 -13.306 95.505 58.274 1.00 23.27 O ATOM 721 CB PHE A 70 -12.787 98.510 57.136 1.00 23.80 C ATOM 722 CG PHE A 70 -13.322 99.914 57.355 1.00 24.87 C ATOM 723 CD1 PHE A 70 -13.588 100.403 58.629 1.00 25.31 C ATOM 724 CD2 PHE A 70 -13.565 100.744 56.271 1.00 23.04 C ATOM 725 CE1 PHE A 70 -14.082 101.687 58.810 1.00 27.44 C ATOM 726 CE2 PHE A 70 -14.060 102.020 56.448 1.00 23.72 C ATOM 727 CZ PHE A 70 -14.317 102.497 57.719 1.00 25.90 C ATOM 728 H PHE A 70 -10.593 98.849 58.468 1.00 0.00 H ATOM 729 N LEU A 71 -11.134 95.801 57.766 1.00 19.84 N ATOM 730 CA LEU A 71 -10.896 94.367 57.619 1.00 19.33 C ATOM 731 C LEU A 71 -11.099 93.646 58.949 1.00 21.41 C ATOM 732 O LEU A 71 -11.784 92.621 59.014 1.00 23.07 O ATOM 733 CB LEU A 71 -9.487 94.118 57.086 1.00 19.83 C ATOM 734 CG LEU A 71 -9.039 92.658 57.034 1.00 19.11 C ATOM 735 CD1 LEU A 71 -9.893 91.861 56.049 1.00 22.15 C ATOM 736 CD2 LEU A 71 -7.563 92.565 56.671 1.00 22.44 C ATOM 737 H LEU A 71 -10.365 96.475 57.573 1.00 0.00 H ATOM 738 N THR A 72 -10.507 94.172 60.024 1.00 24.66 N ATOM 739 CA THR A 72 -10.674 93.535 61.328 1.00 24.97 C ATOM 740 C THR A 72 -12.136 93.535 61.743 1.00 23.14 C ATOM 741 O THR A 72 -12.620 92.574 62.353 1.00 25.46 O ATOM 742 CB THR A 72 -9.810 94.235 62.378 1.00 26.90 C ATOM 743 OG1 THR A 72 -10.165 95.623 62.469 1.00 35.54 O ATOM 744 CG2 THR A 72 -8.344 94.103 62.024 1.00 23.57 C ATOM 745 HG1 THR A 72 -11.117 95.703 62.728 1.00 0.00 H ATOM 746 H THR A 72 -9.929 95.032 59.933 1.00 0.00 H ATOM 747 N ARG A 73 -12.866 94.602 61.414 1.00 22.02 N ATOM 748 CA ARG A 73 -14.286 94.652 61.739 1.00 23.21 C ATOM 749 C ARG A 73 -15.045 93.532 61.040 1.00 24.45 C ATOM 750 O ARG A 73 -15.912 92.887 61.642 1.00 26.03 O ATOM 751 CB ARG A 73 -14.866 96.013 61.351 1.00 24.11 C ATOM 752 CG ARG A 73 -16.146 96.382 62.096 1.00 26.85 C ATOM 753 CD ARG A 73 -15.870 96.891 63.514 1.00 28.57 C ATOM 754 NE ARG A 73 -14.898 97.983 63.514 1.00 28.85 N ATOM 755 CZ ARG A 73 -15.182 99.248 63.217 1.00 29.13 C ATOM 756 NH1 ARG A 73 -16.424 99.609 62.913 1.00 28.33 N ATOM 757 NH2 ARG A 73 -14.219 100.158 63.235 1.00 35.19 N ATOM 758 HE ARG A 73 -13.915 97.755 63.764 1.00 0.00 H ATOM 759 HH12 ARG A 73 -16.636 100.601 62.682 1.00 0.00 H ATOM 760 HH11 ARG A 73 -17.185 98.900 62.906 1.00 0.00 H ATOM 761 HH22 ARG A 73 -14.435 101.149 63.004 1.00 0.00 H ATOM 762 HH21 ARG A 73 -13.247 99.882 63.480 1.00 0.00 H ATOM 763 H ARG A 73 -12.419 95.403 60.923 1.00 0.00 H ATOM 764 N LEU A 74 -14.739 93.288 59.761 1.00 24.77 N ATOM 765 CA LEU A 74 -15.391 92.202 59.040 1.00 24.63 C ATOM 766 C LEU A 74 -15.095 90.853 59.686 1.00 24.80 C ATOM 767 O LEU A 74 -15.970 89.983 59.751 1.00 26.93 O ATOM 768 CB LEU A 74 -14.940 92.198 57.578 1.00 24.94 C ATOM 769 CG LEU A 74 -15.371 93.388 56.721 1.00 26.79 C ATOM 770 CD1 LEU A 74 -14.750 93.295 55.329 1.00 27.45 C ATOM 771 CD2 LEU A 74 -16.886 93.478 56.623 1.00 28.55 C ATOM 772 H LEU A 74 -14.031 93.877 59.278 1.00 0.00 H ATOM 773 N ASN A 75 -13.866 90.657 60.168 1.00 24.92 N ATOM 774 CA ASN A 75 -13.528 89.396 60.822 1.00 22.96 C ATOM 775 C ASN A 75 -14.272 89.240 62.144 1.00 26.03 C ATOM 776 O ASN A 75 -14.720 88.138 62.482 1.00 28.11 O ATOM 777 CB ASN A 75 -12.017 89.300 61.027 1.00 23.31 C ATOM 778 CG ASN A 75 -11.271 89.086 59.725 1.00 26.02 C ATOM 779 OD1 ASN A 75 -11.775 88.429 58.812 1.00 30.16 O ATOM 780 ND2 ASN A 75 -10.064 89.630 59.633 1.00 25.99 N ATOM 781 HD22 ASN A 75 -9.678 90.177 60.429 1.00 0.00 H ATOM 782 HD21 ASN A 75 -9.504 89.509 58.765 1.00 0.00 H ATOM 783 H ASN A 75 -13.148 91.404 60.078 1.00 0.00 H ATOM 784 N GLU A 76 -14.414 90.327 62.908 1.00 24.95 N ATOM 785 CA GLU A 76 -15.267 90.282 64.090 1.00 24.88 C ATOM 786 C GLU A 76 -16.684 89.870 63.716 1.00 25.61 C ATOM 787 O GLU A 76 -17.323 89.077 64.415 1.00 29.73 O ATOM 788 CB GLU A 76 -15.293 91.646 64.782 1.00 28.73 C ATOM 789 CG GLU A 76 -13.990 92.066 65.426 1.00 40.15 C ATOM 790 CD GLU A 76 -14.050 93.483 65.963 1.00 49.47 C ATOM 791 OE1 GLU A 76 -12.981 94.114 66.102 1.00 54.10 O ATOM 792 OE2 GLU A 76 -15.167 93.970 66.236 1.00 48.61 O ATOM 793 H GLU A 76 -13.916 91.206 62.660 1.00 0.00 H HETATM 794 N MSE A 77 -17.191 90.421 62.618 1.00 28.74 N HETATM 795 CA MSE A 77 -18.518 90.122 62.117 1.00 29.91 C HETATM 796 C MSE A 77 -18.669 88.646 61.796 1.00 30.14 C HETATM 797 O MSE A 77 -19.639 88.009 62.205 1.00 36.01 O HETATM 798 CB MSE A 77 -18.777 90.967 60.869 1.00 32.56 C HETATM 799 CG MSE A 77 -20.198 91.395 60.665 1.00 33.30 C HETATM 800 SE MSE A 77 -20.284 92.646 59.175 1.00 30.58 S HETATM 801 CE MSE A 77 -19.035 93.957 59.740 1.00 33.18 C HETATM 802 H MSE A 77 -16.606 91.101 62.092 1.00 0.00 H ATOM 803 N HIS A 78 -17.698 88.104 61.054 1.00 30.09 N ATOM 804 CA HIS A 78 -17.760 86.701 60.661 1.00 35.88 C ATOM 805 C HIS A 78 -17.835 85.778 61.867 1.00 36.13 C ATOM 806 O HIS A 78 -18.490 84.730 61.806 1.00 40.87 O ATOM 807 CB HIS A 78 -16.541 86.344 59.805 1.00 40.35 C ATOM 808 CG HIS A 78 -16.679 86.723 58.364 1.00 41.96 C ATOM 809 ND1 HIS A 78 -17.481 86.021 57.488 1.00 45.28 N ATOM 810 CD2 HIS A 78 -16.118 87.723 57.644 1.00 42.04 C ATOM 811 CE1 HIS A 78 -17.409 86.576 56.291 1.00 45.82 C ATOM 812 NE2 HIS A 78 -16.591 87.611 56.359 1.00 43.20 N ATOM 813 H HIS A 78 -16.891 88.688 60.754 1.00 0.00 H ATOM 814 N ALA A 79 -17.177 86.144 62.964 1.00 34.08 N ATOM 815 CA ALA A 79 -17.175 85.294 64.145 1.00 36.26 C ATOM 816 C ALA A 79 -18.475 85.413 64.928 1.00 41.78 C ATOM 817 O ALA A 79 -18.957 84.423 65.488 1.00 46.32 O ATOM 818 CB ALA A 79 -15.989 85.649 65.043 1.00 35.71 C ATOM 819 H ALA A 79 -16.659 87.046 62.977 1.00 0.00 H ATOM 820 N ALA A 80 -19.062 86.613 64.973 1.00 37.38 N ATOM 821 CA ALA A 80 -20.176 86.885 65.865 1.00 38.97 C ATOM 822 C ALA A 80 -21.528 86.979 65.175 1.00 37.04 C ATOM 823 O ALA A 80 -22.550 86.768 65.836 1.00 43.92 O ATOM 824 CB ALA A 80 -19.932 88.194 66.633 1.00 44.21 C ATOM 825 H ALA A 80 -18.712 87.372 64.353 1.00 0.00 H ATOM 826 N GLU A 81 -21.570 87.299 63.892 1.00 38.05 N ATOM 827 CA GLU A 81 -22.849 87.402 63.199 1.00 41.63 C ATOM 828 C GLU A 81 -23.315 86.007 62.778 1.00 46.05 C ATOM 829 O GLU A 81 -22.631 85.355 61.992 1.00 48.06 O ATOM 830 CB GLU A 81 -22.730 88.288 61.969 1.00 40.09 C ATOM 831 CG GLU A 81 -22.927 89.757 62.255 1.00 41.54 C ATOM 832 CD GLU A 81 -24.333 90.080 62.732 1.00 46.45 C ATOM 833 OE1 GLU A 81 -25.280 89.351 62.366 1.00 50.70 O ATOM 834 OE2 GLU A 81 -24.486 91.066 63.481 1.00 48.60 O ATOM 835 H GLU A 81 -20.686 87.478 63.375 1.00 0.00 H ATOM 836 N PRO A 82 -24.464 85.546 63.267 1.00 52.10 N ATOM 837 CA PRO A 82 -24.982 84.270 62.760 1.00 55.31 C ATOM 838 C PRO A 82 -25.459 84.456 61.335 1.00 57.47 C ATOM 839 O PRO A 82 -25.846 85.552 60.920 1.00 55.02 O ATOM 840 CB PRO A 82 -26.146 83.968 63.707 1.00 59.75 C ATOM 841 CG PRO A 82 -26.693 85.326 64.002 1.00 62.92 C ATOM 842 CD PRO A 82 -25.484 86.261 64.052 1.00 58.51 C ATOM 843 N GLN A 83 -25.408 83.370 60.571 1.00 61.16 N ATOM 844 CA GLN A 83 -25.979 83.345 59.231 1.00 67.76 C ATOM 845 C GLN A 83 -25.200 84.218 58.254 1.00 62.69 C ATOM 846 O GLN A 83 -25.778 84.793 57.330 1.00 62.93 O ATOM 847 CB GLN A 83 -27.449 83.781 59.264 1.00 73.79 C ATOM 848 CG GLN A 83 -28.323 82.911 60.147 1.00 76.26 C ATOM 849 CD GLN A 83 -29.751 83.411 60.230 1.00 82.02 C ATOM 850 OE1 GLN A 83 -29.995 84.591 60.483 1.00 81.75 O ATOM 851 NE2 GLN A 83 -30.705 82.514 60.011 1.00 87.07 N ATOM 852 HE22 GLN A 83 -30.453 81.527 59.801 1.00 0.00 H ATOM 853 HE21 GLN A 83 -31.705 82.798 60.050 1.00 0.00 H ATOM 854 H GLN A 83 -24.947 82.514 60.940 1.00 0.00 H HETATM 855 N MSE A 84 -23.890 84.333 58.439 1.00 57.30 N HETATM 856 CA MSE A 84 -23.058 85.049 57.475 1.00 55.73 C HETATM 857 C MSE A 84 -22.906 84.169 56.232 1.00 47.20 C HETATM 858 O MSE A 84 -22.798 84.681 55.119 1.00 46.77 O HETATM 859 CB MSE A 84 -21.710 85.418 58.077 1.00 63.10 C HETATM 860 CG MSE A 84 -21.551 86.923 58.332 1.00 70.04 C HETATM 861 SE MSE A 84 -20.494 87.776 56.934 1.00 79.63 S HETATM 862 CE MSE A 84 -20.625 89.636 57.490 1.00 58.48 C HETATM 863 H MSE A 84 -23.451 83.908 59.281 1.00 0.00 H ATOM 864 N ARG A 85 -22.910 82.844 56.425 1.00 45.00 N ATOM 865 CA ARG A 85 -23.009 81.940 55.283 1.00 47.20 C ATOM 866 C ARG A 85 -24.243 82.267 54.455 1.00 51.43 C ATOM 867 O ARG A 85 -24.160 82.460 53.234 1.00 51.99 O ATOM 868 CB ARG A 85 -23.065 80.481 55.746 1.00 50.35 C ATOM 869 CG ARG A 85 -23.420 79.503 54.613 1.00 59.42 C ATOM 870 CD ARG A 85 -23.498 78.044 55.074 1.00 68.80 C ATOM 871 NE ARG A 85 -22.357 77.657 55.901 1.00 70.60 N ATOM 872 CZ ARG A 85 -21.518 76.655 55.636 1.00 69.04 C ATOM 873 NH1 ARG A 85 -21.669 75.898 54.556 1.00 67.60 N ATOM 874 NH2 ARG A 85 -20.522 76.406 56.474 1.00 65.65 N ATOM 875 HE ARG A 85 -22.185 78.208 56.766 1.00 0.00 H ATOM 876 HH12 ARG A 85 -21.003 75.121 54.368 1.00 0.00 H ATOM 877 HH11 ARG A 85 -22.453 76.081 53.898 1.00 0.00 H ATOM 878 HH22 ARG A 85 -19.861 75.627 56.279 1.00 0.00 H ATOM 879 HH21 ARG A 85 -20.402 76.989 57.327 1.00 0.00 H ATOM 880 H ARG A 85 -22.843 82.459 57.389 1.00 0.00 H ATOM 881 N GLU A 86 -25.404 82.336 55.112 1.00 52.00 N ATOM 882 CA GLU A 86 -26.657 82.521 54.395 1.00 58.16 C ATOM 883 C GLU A 86 -26.729 83.882 53.714 1.00 52.68 C ATOM 884 O GLU A 86 -27.331 84.002 52.642 1.00 53.49 O ATOM 885 CB GLU A 86 -27.837 82.348 55.355 1.00 67.91 C ATOM 886 CG GLU A 86 -28.144 80.901 55.733 1.00 73.59 C ATOM 887 CD GLU A 86 -27.180 80.331 56.756 1.00 74.94 C ATOM 888 OE1 GLU A 86 -27.386 79.178 57.190 1.00 78.29 O ATOM 889 OE2 GLU A 86 -26.219 81.032 57.131 1.00 73.66 O ATOM 890 H GLU A 86 -25.413 82.257 56.149 1.00 0.00 H ATOM 891 N GLN A 87 -26.117 84.910 54.304 1.00 49.10 N ATOM 892 CA GLN A 87 -26.254 86.262 53.772 1.00 49.66 C ATOM 893 C GLN A 87 -25.271 86.532 52.638 1.00 46.57 C ATOM 894 O GLN A 87 -25.622 87.210 51.665 1.00 50.50 O ATOM 895 CB GLN A 87 -26.070 87.276 54.908 1.00 55.90 C ATOM 896 CG GLN A 87 -25.906 88.734 54.482 1.00 61.28 C ATOM 897 CD GLN A 87 -27.224 89.462 54.276 1.00 70.64 C ATOM 898 OE1 GLN A 87 -28.301 88.920 54.531 1.00 73.15 O ATOM 899 NE2 GLN A 87 -27.141 90.705 53.812 1.00 73.69 N ATOM 900 HE22 GLN A 87 -26.211 91.124 53.610 1.00 0.00 H ATOM 901 HE21 GLN A 87 -28.006 91.259 53.651 1.00 0.00 H ATOM 902 H GLN A 87 -25.537 84.746 55.151 1.00 0.00 H ATOM 903 N THR A 88 -24.042 86.021 52.741 1.00 42.88 N ATOM 904 CA THR A 88 -22.994 86.356 51.788 1.00 40.14 C ATOM 905 C THR A 88 -22.452 85.174 51.000 1.00 39.29 C ATOM 906 O THR A 88 -21.758 85.390 49.997 1.00 38.21 O ATOM 907 CB THR A 88 -21.804 87.020 52.501 1.00 36.43 C ATOM 908 OG1 THR A 88 -21.156 86.058 53.351 1.00 32.98 O ATOM 909 CG2 THR A 88 -22.267 88.194 53.338 1.00 44.20 C ATOM 910 HG1 THR A 88 -21.802 85.727 54.024 1.00 0.00 H ATOM 911 H THR A 88 -23.828 85.368 53.521 1.00 0.00 H ATOM 912 N GLY A 89 -22.723 83.940 51.421 1.00 38.58 N ATOM 913 CA GLY A 89 -22.071 82.786 50.850 1.00 37.88 C ATOM 914 C GLY A 89 -20.674 82.528 51.370 1.00 31.59 C ATOM 915 O GLY A 89 -20.111 81.462 51.087 1.00 32.13 O ATOM 916 H GLY A 89 -23.421 83.805 52.180 1.00 0.00 H ATOM 917 N VAL A 90 -20.098 83.457 52.130 1.00 30.01 N ATOM 918 CA VAL A 90 -18.746 83.292 52.652 1.00 26.30 C ATOM 919 C VAL A 90 -18.814 82.469 53.933 1.00 28.13 C ATOM 920 O VAL A 90 -19.539 82.817 54.870 1.00 31.64 O ATOM 921 CB VAL A 90 -18.079 84.651 52.906 1.00 25.74 C ATOM 922 CG1 VAL A 90 -16.679 84.458 53.476 1.00 26.57 C ATOM 923 CG2 VAL A 90 -18.028 85.467 51.622 1.00 28.41 C ATOM 924 H VAL A 90 -20.626 84.324 52.358 1.00 0.00 H ATOM 925 N THR A 91 -18.063 81.381 53.968 1.00 25.68 N ATOM 926 CA THR A 91 -18.000 80.481 55.103 1.00 26.36 C ATOM 927 C THR A 91 -16.605 80.500 55.709 1.00 23.25 C ATOM 928 O THR A 91 -15.629 80.854 55.040 1.00 20.61 O ATOM 929 CB THR A 91 -18.334 79.049 54.672 1.00 28.18 C ATOM 930 OG1 THR A 91 -17.280 78.570 53.826 1.00 25.32 O ATOM 931 CG2 THR A 91 -19.655 79.008 53.917 1.00 30.90 C ATOM 932 HG1 THR A 91 -17.483 77.644 53.540 1.00 0.00 H ATOM 933 H THR A 91 -17.484 81.158 53.133 1.00 0.00 H ATOM 934 N PRO A 92 -16.471 80.118 56.983 1.00 22.22 N ATOM 935 CA PRO A 92 -15.118 80.011 57.553 1.00 22.10 C ATOM 936 C PRO A 92 -14.232 79.053 56.778 1.00 20.68 C ATOM 937 O PRO A 92 -13.032 79.309 56.620 1.00 18.82 O ATOM 938 CB PRO A 92 -15.380 79.525 58.987 1.00 24.14 C ATOM 939 CG PRO A 92 -16.789 79.933 59.276 1.00 28.09 C ATOM 940 CD PRO A 92 -17.518 79.802 57.970 1.00 26.13 C ATOM 941 N GLU A 93 -14.798 77.951 56.276 1.00 23.42 N ATOM 942 CA GLU A 93 -14.005 76.998 55.509 1.00 23.08 C ATOM 943 C GLU A 93 -13.532 77.604 54.195 1.00 22.50 C ATOM 944 O GLU A 93 -12.431 77.289 53.724 1.00 22.16 O ATOM 945 CB GLU A 93 -14.819 75.725 55.270 1.00 25.68 C ATOM 946 CG GLU A 93 -15.251 74.998 56.557 1.00 29.72 C ATOM 947 CD GLU A 93 -16.388 75.691 57.297 1.00 28.35 C ATOM 948 OE1 GLU A 93 -16.567 75.428 58.507 1.00 41.46 O ATOM 949 OE2 GLU A 93 -17.116 76.492 56.673 1.00 34.92 O ATOM 950 H GLU A 93 -15.810 77.772 56.434 1.00 0.00 H HETATM 951 N MSE A 94 -14.332 78.485 53.603 1.00 20.51 N HETATM 952 CA MSE A 94 -13.942 79.170 52.375 1.00 18.00 C HETATM 953 C MSE A 94 -12.811 80.159 52.631 1.00 16.34 C HETATM 954 O MSE A 94 -11.879 80.271 51.834 1.00 18.43 O HETATM 955 CB MSE A 94 -15.142 79.896 51.771 1.00 18.24 C HETATM 956 CG MSE A 94 -14.831 80.648 50.508 1.00 20.23 C HETATM 957 SE MSE A 94 -16.422 81.469 49.736 1.00 23.68 S HETATM 958 CE MSE A 94 -17.450 79.829 49.443 1.00 25.07 C HETATM 959 H MSE A 94 -15.260 78.691 54.026 1.00 0.00 H ATOM 960 N ILE A 95 -12.899 80.899 53.736 1.00 17.80 N ATOM 961 CA ILE A 95 -11.817 81.818 54.076 1.00 16.96 C ATOM 962 C ILE A 95 -10.528 81.048 54.337 1.00 15.58 C ATOM 963 O ILE A 95 -9.441 81.480 53.942 1.00 16.48 O ATOM 964 CB ILE A 95 -12.217 82.698 55.278 1.00 16.90 C ATOM 965 CG1 ILE A 95 -13.371 83.619 54.873 1.00 19.44 C ATOM 966 CG2 ILE A 95 -11.022 83.496 55.774 1.00 18.71 C ATOM 967 CD1 ILE A 95 -13.971 84.411 56.022 1.00 24.79 C ATOM 968 H ILE A 95 -13.733 80.822 54.352 1.00 0.00 H ATOM 969 N ASP A 96 -10.628 79.881 54.987 1.00 17.34 N ATOM 970 CA ASP A 96 -9.449 79.045 55.189 1.00 18.86 C ATOM 971 C ASP A 96 -8.818 78.649 53.857 1.00 17.98 C ATOM 972 O ASP A 96 -7.591 78.666 53.710 1.00 17.40 O ATOM 973 CB ASP A 96 -9.820 77.787 55.977 1.00 18.40 C ATOM 974 CG ASP A 96 -10.085 78.058 57.448 1.00 21.86 C ATOM 975 OD1 ASP A 96 -9.760 79.161 57.941 1.00 21.87 O ATOM 976 OD2 ASP A 96 -10.621 77.152 58.119 1.00 22.91 O ATOM 977 H ASP A 96 -11.551 79.569 55.350 1.00 0.00 H ATOM 978 N PHE A 97 -9.648 78.274 52.879 1.00 17.61 N ATOM 979 CA PHE A 97 -9.147 77.922 51.554 1.00 19.68 C ATOM 980 C PHE A 97 -8.445 79.105 50.899 1.00 18.59 C ATOM 981 O PHE A 97 -7.325 78.979 50.388 1.00 18.68 O ATOM 982 CB PHE A 97 -10.315 77.439 50.691 1.00 19.19 C ATOM 983 CG PHE A 97 -9.926 77.039 49.303 1.00 22.19 C ATOM 984 CD1 PHE A 97 -9.181 75.896 49.088 1.00 28.81 C ATOM 985 CD2 PHE A 97 -10.325 77.792 48.212 1.00 21.25 C ATOM 986 CE1 PHE A 97 -8.822 75.518 47.812 1.00 28.95 C ATOM 987 CE2 PHE A 97 -9.971 77.414 46.926 1.00 24.17 C ATOM 988 CZ PHE A 97 -9.218 76.274 46.735 1.00 25.34 C ATOM 989 H PHE A 97 -10.670 78.232 53.066 1.00 0.00 H ATOM 990 N ILE A 98 -9.100 80.266 50.888 1.00 17.11 N ATOM 991 CA ILE A 98 -8.512 81.457 50.287 1.00 15.62 C ATOM 992 C ILE A 98 -7.226 81.843 51.011 1.00 17.23 C ATOM 993 O ILE A 98 -6.232 82.226 50.382 1.00 16.27 O ATOM 994 CB ILE A 98 -9.538 82.610 50.292 1.00 16.00 C ATOM 995 CG1 ILE A 98 -10.716 82.290 49.362 1.00 17.03 C ATOM 996 CG2 ILE A 98 -8.872 83.927 49.919 1.00 17.17 C ATOM 997 CD1 ILE A 98 -10.340 82.127 47.899 1.00 19.16 C ATOM 998 H ILE A 98 -10.046 80.323 51.315 1.00 0.00 H ATOM 999 N THR A 99 -7.224 81.749 52.345 1.00 17.08 N ATOM 1000 CA THR A 99 -6.021 82.045 53.115 1.00 17.30 C ATOM 1001 C THR A 99 -4.852 81.172 52.676 1.00 15.44 C ATOM 1002 O THR A 99 -3.731 81.657 52.481 1.00 17.53 O ATOM 1003 CB THR A 99 -6.294 81.838 54.605 1.00 16.80 C ATOM 1004 OG1 THR A 99 -7.270 82.786 55.048 1.00 18.39 O ATOM 1005 CG2 THR A 99 -5.012 81.995 55.410 1.00 17.25 C ATOM 1006 HG1 THR A 99 -8.108 82.658 54.538 1.00 0.00 H ATOM 1007 H THR A 99 -8.092 81.461 52.840 1.00 0.00 H ATOM 1008 N ARG A 100 -5.101 79.870 52.516 1.00 15.34 N ATOM 1009 CA ARG A 100 -4.030 78.948 52.174 1.00 15.35 C ATOM 1010 C ARG A 100 -3.579 79.142 50.733 1.00 17.17 C ATOM 1011 O ARG A 100 -2.382 79.067 50.433 1.00 17.65 O ATOM 1012 CB ARG A 100 -4.495 77.508 52.415 1.00 17.70 C ATOM 1013 CG ARG A 100 -3.412 76.456 52.232 1.00 19.66 C ATOM 1014 CD ARG A 100 -3.818 75.116 52.837 1.00 20.81 C ATOM 1015 NE ARG A 100 -3.928 75.178 54.292 1.00 19.37 N ATOM 1016 CZ ARG A 100 -2.888 75.169 55.125 1.00 21.51 C ATOM 1017 NH1 ARG A 100 -1.655 75.084 54.648 1.00 20.96 N ATOM 1018 NH2 ARG A 100 -3.083 75.241 56.437 1.00 23.39 N ATOM 1019 HE ARG A 100 -4.881 75.233 54.705 1.00 0.00 H ATOM 1020 HH12 ARG A 100 -0.845 75.077 55.300 1.00 0.00 H ATOM 1021 HH11 ARG A 100 -1.497 75.024 53.622 1.00 0.00 H ATOM 1022 HH22 ARG A 100 -2.269 75.234 57.085 1.00 0.00 H ATOM 1023 HH21 ARG A 100 -4.049 75.305 56.816 1.00 0.00 H ATOM 1024 H ARG A 100 -6.070 79.512 52.637 1.00 0.00 H ATOM 1025 N ALA A 101 -4.523 79.410 49.829 1.00 15.51 N ATOM 1026 CA ALA A 101 -4.164 79.661 48.439 1.00 17.81 C ATOM 1027 C ALA A 101 -3.356 80.944 48.307 1.00 17.39 C ATOM 1028 O ALA A 101 -2.401 81.005 47.526 1.00 17.91 O ATOM 1029 CB ALA A 101 -5.424 79.729 47.578 1.00 18.19 C ATOM 1030 H ALA A 101 -5.522 79.440 50.118 1.00 0.00 H ATOM 1031 N PHE A 102 -3.710 81.979 49.076 1.00 16.61 N ATOM 1032 CA PHE A 102 -2.930 83.211 49.031 1.00 16.20 C ATOM 1033 C PHE A 102 -1.538 82.998 49.617 1.00 16.70 C ATOM 1034 O PHE A 102 -0.555 83.560 49.121 1.00 17.89 O ATOM 1035 CB PHE A 102 -3.661 84.331 49.771 1.00 18.30 C ATOM 1036 CG PHE A 102 -3.084 85.694 49.512 1.00 16.32 C ATOM 1037 CD1 PHE A 102 -3.109 86.248 48.244 1.00 17.93 C ATOM 1038 CD2 PHE A 102 -2.521 86.427 50.544 1.00 16.75 C ATOM 1039 CE1 PHE A 102 -2.578 87.498 48.005 1.00 19.21 C ATOM 1040 CE2 PHE A 102 -1.993 87.675 50.311 1.00 18.01 C ATOM 1041 CZ PHE A 102 -2.022 88.216 49.048 1.00 18.19 C ATOM 1042 H PHE A 102 -4.537 81.906 49.703 1.00 0.00 H ATOM 1043 N ALA A 103 -1.432 82.179 50.669 1.00 16.04 N ATOM 1044 CA ALA A 103 -0.119 81.814 51.188 1.00 17.44 C ATOM 1045 C ALA A 103 0.723 81.132 50.118 1.00 19.41 C ATOM 1046 O ALA A 103 1.916 81.426 49.974 1.00 17.30 O ATOM 1047 CB ALA A 103 -0.266 80.906 52.405 1.00 16.51 C ATOM 1048 H ALA A 103 -2.290 81.801 51.119 1.00 0.00 H ATOM 1049 N GLU A 104 0.114 80.220 49.353 1.00 17.41 N ATOM 1050 CA GLU A 104 0.837 79.560 48.272 1.00 18.22 C ATOM 1051 C GLU A 104 1.349 80.563 47.250 1.00 16.95 C ATOM 1052 O GLU A 104 2.414 80.357 46.660 1.00 18.02 O ATOM 1053 CB GLU A 104 -0.061 78.537 47.568 1.00 24.60 C ATOM 1054 CG GLU A 104 -0.397 77.321 48.384 1.00 37.91 C ATOM 1055 CD GLU A 104 0.828 76.556 48.830 1.00 38.84 C ATOM 1056 OE1 GLU A 104 0.773 75.944 49.912 1.00 50.83 O ATOM 1057 OE2 GLU A 104 1.846 76.568 48.106 1.00 35.54 O ATOM 1058 H GLU A 104 -0.882 79.980 49.530 1.00 0.00 H ATOM 1059 N SER A 105 0.595 81.649 47.017 1.00 16.86 N ATOM 1060 CA SER A 105 1.013 82.637 46.032 1.00 18.78 C ATOM 1061 C SER A 105 2.315 83.307 46.443 1.00 18.50 C ATOM 1062 O SER A 105 3.085 83.750 45.587 1.00 20.85 O ATOM 1063 CB SER A 105 -0.084 83.682 45.827 1.00 19.38 C ATOM 1064 OG SER A 105 -0.066 84.680 46.836 1.00 17.49 O ATOM 1065 HG SER A 105 -0.204 84.256 47.720 1.00 0.00 H ATOM 1066 H SER A 105 -0.292 81.785 47.542 1.00 0.00 H ATOM 1067 N LYS A 106 2.574 83.397 47.744 1.00 18.16 N ATOM 1068 CA LYS A 106 3.823 83.969 48.227 1.00 19.01 C ATOM 1069 C LYS A 106 4.905 82.915 48.398 1.00 17.81 C ATOM 1070 O LYS A 106 6.075 83.182 48.105 1.00 18.40 O ATOM 1071 CB LYS A 106 3.566 84.717 49.538 1.00 18.65 C ATOM 1072 CG LYS A 106 2.648 85.911 49.323 1.00 21.45 C ATOM 1073 CD LYS A 106 2.564 86.808 50.532 1.00 23.97 C ATOM 1074 CE LYS A 106 1.720 88.030 50.201 1.00 23.88 C ATOM 1075 NZ LYS A 106 1.617 88.968 51.343 1.00 25.07 N ATOM 1076 HZ1 LYS A 106 1.178 88.482 52.151 1.00 0.00 H ATOM 1077 HZ2 LYS A 106 2.568 89.295 51.608 1.00 0.00 H ATOM 1078 HZ3 LYS A 106 1.033 89.784 51.069 1.00 0.00 H ATOM 1079 H LYS A 106 1.872 83.053 48.429 1.00 0.00 H ATOM 1080 N LEU A 107 4.539 81.710 48.852 1.00 17.31 N ATOM 1081 CA LEU A 107 5.509 80.621 48.911 1.00 17.90 C ATOM 1082 C LEU A 107 6.061 80.283 47.534 1.00 18.94 C ATOM 1083 O LEU A 107 7.220 79.864 47.414 1.00 20.95 O ATOM 1084 CB LEU A 107 4.872 79.384 49.546 1.00 18.13 C ATOM 1085 CG LEU A 107 4.532 79.527 51.028 1.00 17.06 C ATOM 1086 CD1 LEU A 107 3.484 78.512 51.446 1.00 18.62 C ATOM 1087 CD2 LEU A 107 5.786 79.386 51.886 1.00 18.37 C ATOM 1088 H LEU A 107 3.560 81.549 49.164 1.00 0.00 H ATOM 1089 N ALA A 108 5.252 80.456 46.482 1.00 17.62 N ATOM 1090 CA ALA A 108 5.729 80.210 45.128 1.00 19.35 C ATOM 1091 C ALA A 108 6.844 81.175 44.742 1.00 20.88 C ATOM 1092 O ALA A 108 7.692 80.839 43.905 1.00 21.65 O ATOM 1093 CB ALA A 108 4.569 80.318 44.139 1.00 20.00 C ATOM 1094 H ALA A 108 4.272 80.770 46.633 1.00 0.00 H ATOM 1095 N ILE A 109 6.848 82.370 45.326 1.00 19.55 N ATOM 1096 CA ILE A 109 7.897 83.356 45.084 1.00 19.04 C ATOM 1097 C ILE A 109 9.088 83.141 46.008 1.00 20.94 C ATOM 1098 O ILE A 109 10.240 83.152 45.567 1.00 21.45 O ATOM 1099 CB ILE A 109 7.320 84.779 45.253 1.00 20.64 C ATOM 1100 CG1 ILE A 109 6.257 85.047 44.187 1.00 21.70 C ATOM 1101 CG2 ILE A 109 8.433 85.815 45.187 1.00 21.66 C ATOM 1102 CD1 ILE A 109 5.481 86.321 44.394 1.00 20.98 C ATOM 1103 H ILE A 109 6.075 82.611 45.979 1.00 0.00 H ATOM 1104 N TRP A 110 8.822 82.961 47.304 1.00 19.08 N ATOM 1105 CA TRP A 110 9.901 82.742 48.258 1.00 19.77 C ATOM 1106 C TRP A 110 10.753 81.539 47.875 1.00 20.09 C ATOM 1107 O TRP A 110 11.934 81.477 48.232 1.00 23.02 O ATOM 1108 CB TRP A 110 9.322 82.559 49.661 1.00 17.97 C ATOM 1109 CG TRP A 110 8.897 83.834 50.336 1.00 17.79 C ATOM 1110 CD1 TRP A 110 9.522 85.046 50.275 1.00 19.70 C ATOM 1111 CD2 TRP A 110 7.756 84.013 51.183 1.00 17.06 C ATOM 1112 NE1 TRP A 110 8.841 85.968 51.035 1.00 19.56 N ATOM 1113 CE2 TRP A 110 7.753 85.363 51.598 1.00 17.94 C ATOM 1114 CE3 TRP A 110 6.737 83.166 51.628 1.00 18.54 C ATOM 1115 CZ2 TRP A 110 6.769 85.875 52.441 1.00 18.59 C ATOM 1116 CZ3 TRP A 110 5.761 83.680 52.462 1.00 19.09 C ATOM 1117 CH2 TRP A 110 5.785 85.024 52.859 1.00 19.39 C ATOM 1118 HE1 TRP A 110 9.111 86.965 51.161 1.00 0.00 H ATOM 1119 H TRP A 110 7.836 82.977 47.635 1.00 0.00 H ATOM 1120 N ALA A 111 10.179 80.581 47.139 1.00 21.85 N ATOM 1121 CA ALA A 111 10.939 79.410 46.723 1.00 22.40 C ATOM 1122 C ALA A 111 12.206 79.793 45.971 1.00 24.10 C ATOM 1123 O ALA A 111 13.213 79.079 46.046 1.00 26.31 O ATOM 1124 CB ALA A 111 10.068 78.501 45.856 1.00 23.71 C ATOM 1125 H ALA A 111 9.181 80.673 46.861 1.00 0.00 H ATOM 1126 N ARG A 112 12.176 80.905 45.233 1.00 24.28 N ATOM 1127 CA ARG A 112 13.335 81.339 44.467 1.00 25.00 C ATOM 1128 C ARG A 112 14.364 82.073 45.316 1.00 25.34 C ATOM 1129 O ARG A 112 15.471 82.336 44.835 1.00 29.01 O ATOM 1130 CB ARG A 112 12.890 82.248 43.319 1.00 24.01 C ATOM 1131 CG ARG A 112 11.785 81.660 42.461 1.00 26.76 C ATOM 1132 CD ARG A 112 11.766 82.283 41.074 1.00 29.01 C ATOM 1133 NE ARG A 112 11.977 83.726 41.129 1.00 28.92 N ATOM 1134 CZ ARG A 112 11.007 84.629 41.255 1.00 28.07 C ATOM 1135 NH1 ARG A 112 9.737 84.253 41.342 1.00 26.62 N ATOM 1136 NH2 ARG A 112 11.314 85.918 41.296 1.00 31.71 N ATOM 1137 HE ARG A 112 12.955 84.074 41.065 1.00 0.00 H ATOM 1138 HH12 ARG A 112 8.988 84.968 41.440 1.00 0.00 H ATOM 1139 HH11 ARG A 112 9.490 83.243 41.312 1.00 0.00 H ATOM 1140 HH22 ARG A 112 10.561 86.629 41.394 1.00 0.00 H ATOM 1141 HH21 ARG A 112 12.308 86.218 41.230 1.00 0.00 H ATOM 1142 H ARG A 112 11.306 81.474 45.205 1.00 0.00 H ATOM 1143 N TYR A 113 14.027 82.403 46.562 1.00 24.19 N ATOM 1144 CA TYR A 113 14.915 83.140 47.443 1.00 24.51 C ATOM 1145 C TYR A 113 15.454 82.311 48.596 1.00 27.54 C ATOM 1146 O TYR A 113 16.442 82.718 49.212 1.00 29.87 O ATOM 1147 CB TYR A 113 14.187 84.364 48.021 1.00 24.06 C ATOM 1148 CG TYR A 113 13.905 85.424 46.986 1.00 23.81 C ATOM 1149 CD1 TYR A 113 12.802 85.334 46.149 1.00 23.92 C ATOM 1150 CD2 TYR A 113 14.758 86.506 46.832 1.00 25.31 C ATOM 1151 CE1 TYR A 113 12.552 86.299 45.191 1.00 24.83 C ATOM 1152 CE2 TYR A 113 14.516 87.475 45.882 1.00 25.67 C ATOM 1153 CZ TYR A 113 13.414 87.368 45.064 1.00 27.00 C ATOM 1154 OH TYR A 113 13.178 88.337 44.112 1.00 29.17 O ATOM 1155 HH TYR A 113 12.353 88.113 43.612 1.00 0.00 H ATOM 1156 H TYR A 113 13.091 82.122 46.918 1.00 0.00 H ATOM 1157 N LEU A 114 14.845 81.166 48.887 1.00 23.79 N ATOM 1158 CA LEU A 114 15.173 80.372 50.059 1.00 26.27 C ATOM 1159 C LEU A 114 15.680 79.000 49.638 1.00 28.28 C ATOM 1160 O LEU A 114 15.380 78.509 48.548 1.00 29.18 O ATOM 1161 CB LEU A 114 13.948 80.201 50.964 1.00 24.54 C ATOM 1162 CG LEU A 114 13.178 81.463 51.350 1.00 21.90 C ATOM 1163 CD1 LEU A 114 11.934 81.099 52.145 1.00 24.26 C ATOM 1164 CD2 LEU A 114 14.070 82.415 52.133 1.00 26.89 C ATOM 1165 H LEU A 114 14.100 80.823 48.247 1.00 0.00 H ATOM 1166 N ASN A 115 16.455 78.377 50.523 1.00 27.94 N ATOM 1167 CA ASN A 115 16.802 76.977 50.332 1.00 31.27 C ATOM 1168 C ASN A 115 15.645 76.101 50.813 1.00 31.85 C ATOM 1169 O ASN A 115 14.663 76.580 51.387 1.00 29.45 O ATOM 1170 CB ASN A 115 18.109 76.635 51.049 1.00 30.74 C ATOM 1171 CG ASN A 115 18.019 76.764 52.561 1.00 29.89 C ATOM 1172 OD1 ASN A 115 17.005 76.427 53.172 1.00 28.56 O ATOM 1173 ND2 ASN A 115 19.098 77.241 53.173 1.00 32.10 N ATOM 1174 HD22 ASN A 115 19.933 77.514 52.617 1.00 0.00 H ATOM 1175 HD21 ASN A 115 19.107 77.342 54.208 1.00 0.00 H ATOM 1176 H ASN A 115 16.813 78.892 51.353 1.00 0.00 H ATOM 1177 N ASP A 116 15.763 74.796 50.564 1.00 29.50 N ATOM 1178 CA ASP A 116 14.645 73.897 50.832 1.00 28.24 C ATOM 1179 C ASP A 116 14.249 73.917 52.304 1.00 26.38 C ATOM 1180 O ASP A 116 13.055 73.885 52.629 1.00 28.00 O ATOM 1181 CB ASP A 116 15.004 72.475 50.394 1.00 37.97 C ATOM 1182 CG ASP A 116 15.061 72.328 48.885 1.00 43.66 C ATOM 1183 OD1 ASP A 116 14.635 73.265 48.176 1.00 41.72 O ATOM 1184 OD2 ASP A 116 15.532 71.275 48.409 1.00 45.77 O ATOM 1185 H ASP A 116 16.652 74.419 50.179 1.00 0.00 H ATOM 1186 N GLU A 117 15.231 73.973 53.207 1.00 30.98 N ATOM 1187 CA GLU A 117 14.932 73.953 54.635 1.00 31.82 C ATOM 1188 C GLU A 117 14.202 75.221 55.064 1.00 28.10 C ATOM 1189 O GLU A 117 13.196 75.160 55.778 1.00 25.88 O ATOM 1190 CB GLU A 117 16.221 73.783 55.439 1.00 41.08 C ATOM 1191 CG GLU A 117 16.897 72.437 55.247 1.00 59.54 C ATOM 1192 CD GLU A 117 18.176 72.309 56.051 1.00 74.59 C ATOM 1193 OE1 GLU A 117 18.633 73.327 56.612 1.00 78.62 O ATOM 1194 OE2 GLU A 117 18.724 71.188 56.124 1.00 80.51 O ATOM 1195 H GLU A 117 16.219 74.031 52.889 1.00 0.00 H ATOM 1196 N GLU A 118 14.707 76.385 54.642 1.00 27.13 N ATOM 1197 CA GLU A 118 14.044 77.641 54.979 1.00 24.51 C ATOM 1198 C GLU A 118 12.625 77.685 54.431 1.00 22.29 C ATOM 1199 O GLU A 118 11.696 78.128 55.122 1.00 19.06 O ATOM 1200 CB GLU A 118 14.858 78.814 54.431 1.00 24.09 C ATOM 1201 CG GLU A 118 16.226 78.981 55.058 1.00 26.83 C ATOM 1202 CD GLU A 118 17.152 79.839 54.214 1.00 29.40 C ATOM 1203 OE1 GLU A 118 16.964 79.882 52.977 1.00 29.07 O ATOM 1204 OE2 GLU A 118 18.066 80.469 54.783 1.00 29.69 O ATOM 1205 H GLU A 118 15.576 76.395 54.071 1.00 0.00 H ATOM 1206 N LEU A 119 12.435 77.252 53.186 1.00 22.47 N ATOM 1207 CA LEU A 119 11.107 77.278 52.594 1.00 21.91 C ATOM 1208 C LEU A 119 10.154 76.360 53.348 1.00 22.05 C ATOM 1209 O LEU A 119 8.995 76.714 53.579 1.00 21.96 O ATOM 1210 CB LEU A 119 11.181 76.885 51.119 1.00 24.02 C ATOM 1211 CG LEU A 119 9.855 76.921 50.364 1.00 27.09 C ATOM 1212 CD1 LEU A 119 9.324 78.342 50.269 1.00 25.67 C ATOM 1213 CD2 LEU A 119 10.014 76.313 48.977 1.00 29.75 C ATOM 1214 H LEU A 119 13.240 76.893 52.634 1.00 0.00 H ATOM 1215 N ALA A 120 10.627 75.171 53.737 1.00 22.69 N ATOM 1216 CA ALA A 120 9.770 74.247 54.470 1.00 22.56 C ATOM 1217 C ALA A 120 9.418 74.798 55.846 1.00 21.14 C ATOM 1218 O ALA A 120 8.282 74.643 56.309 1.00 21.68 O ATOM 1219 CB ALA A 120 10.451 72.885 54.594 1.00 23.45 C ATOM 1220 H ALA A 120 11.608 74.905 53.516 1.00 0.00 H ATOM 1221 N PHE A 121 10.372 75.450 56.510 1.00 21.55 N ATOM 1222 CA PHE A 121 10.069 76.093 57.785 1.00 21.85 C ATOM 1223 C PHE A 121 8.959 77.119 57.608 1.00 19.25 C ATOM 1224 O PHE A 121 7.987 77.152 58.368 1.00 20.29 O ATOM 1225 CB PHE A 121 11.322 76.758 58.357 1.00 22.58 C ATOM 1226 CG PHE A 121 11.089 77.467 59.662 1.00 24.11 C ATOM 1227 CD1 PHE A 121 10.640 78.777 59.687 1.00 23.86 C ATOM 1228 CD2 PHE A 121 11.325 76.822 60.863 1.00 25.45 C ATOM 1229 CE1 PHE A 121 10.423 79.431 60.887 1.00 23.94 C ATOM 1230 CE2 PHE A 121 11.113 77.469 62.064 1.00 23.08 C ATOM 1231 CZ PHE A 121 10.664 78.776 62.075 1.00 24.85 C ATOM 1232 H PHE A 121 11.334 75.501 56.119 1.00 0.00 H ATOM 1233 N THR A 122 9.079 77.958 56.577 1.00 18.97 N ATOM 1234 CA THR A 122 8.115 79.033 56.385 1.00 19.16 C ATOM 1235 C THR A 122 6.769 78.494 55.922 1.00 18.32 C ATOM 1236 O THR A 122 5.719 79.005 56.327 1.00 18.88 O ATOM 1237 CB THR A 122 8.692 80.046 55.396 1.00 20.84 C ATOM 1238 OG1 THR A 122 9.838 80.677 55.997 1.00 21.23 O ATOM 1239 CG2 THR A 122 7.653 81.084 55.009 1.00 19.51 C ATOM 1240 HG1 THR A 122 9.561 81.138 56.828 1.00 0.00 H ATOM 1241 H THR A 122 9.866 77.844 55.906 1.00 0.00 H ATOM 1242 N ARG A 123 6.771 77.452 55.080 1.00 16.85 N ATOM 1243 CA ARG A 123 5.511 76.840 54.677 1.00 18.90 C ATOM 1244 C ARG A 123 4.720 76.371 55.889 1.00 18.69 C ATOM 1245 O ARG A 123 3.491 76.508 55.932 1.00 21.05 O ATOM 1246 CB ARG A 123 5.774 75.672 53.729 1.00 20.26 C ATOM 1247 CG ARG A 123 4.525 74.889 53.367 1.00 21.74 C ATOM 1248 CD ARG A 123 4.831 73.840 52.314 1.00 28.00 C ATOM 1249 NE ARG A 123 5.166 74.456 51.034 1.00 31.08 N ATOM 1250 CZ ARG A 123 4.269 75.007 50.226 1.00 25.34 C ATOM 1251 NH1 ARG A 123 2.989 75.010 50.572 1.00 26.77 N ATOM 1252 NH2 ARG A 123 4.641 75.549 49.068 1.00 23.70 N ATOM 1253 HE ARG A 123 6.163 74.464 50.739 1.00 0.00 H ATOM 1254 HH12 ARG A 123 2.281 75.440 49.943 1.00 0.00 H ATOM 1255 HH11 ARG A 123 2.693 74.582 51.472 1.00 0.00 H ATOM 1256 HH22 ARG A 123 3.930 75.978 48.442 1.00 0.00 H ATOM 1257 HH21 ARG A 123 5.643 75.543 48.789 1.00 0.00 H ATOM 1258 H ARG A 123 7.671 77.080 54.714 1.00 0.00 H ATOM 1259 N GLN A 124 5.412 75.816 56.881 1.00 22.13 N ATOM 1260 CA GLN A 124 4.744 75.360 58.093 1.00 25.70 C ATOM 1261 C GLN A 124 4.302 76.540 58.946 1.00 27.98 C ATOM 1262 O GLN A 124 3.124 76.661 59.305 1.00 32.01 O ATOM 1263 CB GLN A 124 5.682 74.445 58.879 1.00 29.76 C ATOM 1264 CG GLN A 124 5.120 73.931 60.196 1.00 39.20 C ATOM 1265 CD GLN A 124 6.100 73.029 60.924 1.00 37.87 C ATOM 1266 OE1 GLN A 124 7.210 72.788 60.452 1.00 32.60 O ATOM 1267 NE2 GLN A 124 5.693 72.529 62.086 1.00 45.70 N ATOM 1268 HE22 GLN A 124 4.746 72.759 62.448 1.00 0.00 H ATOM 1269 HE21 GLN A 124 6.322 71.908 62.634 1.00 0.00 H ATOM 1270 H GLN A 124 6.442 75.706 56.790 1.00 0.00 H ATOM 1271 N HIS A 125 5.228 77.439 59.252 1.00 19.90 N ATOM 1272 CA HIS A 125 4.991 78.433 60.290 1.00 19.35 C ATOM 1273 C HIS A 125 4.382 79.728 59.781 1.00 19.36 C ATOM 1274 O HIS A 125 4.048 80.592 60.597 1.00 17.50 O ATOM 1275 CB HIS A 125 6.305 78.718 61.018 1.00 17.78 C ATOM 1276 CG HIS A 125 6.833 77.535 61.768 1.00 18.88 C ATOM 1277 ND1 HIS A 125 6.251 77.082 62.933 1.00 20.19 N ATOM 1278 CD2 HIS A 125 7.862 76.696 61.509 1.00 20.43 C ATOM 1279 CE1 HIS A 125 6.912 76.023 63.367 1.00 21.86 C ATOM 1280 NE2 HIS A 125 7.893 75.767 62.522 1.00 22.49 N ATOM 1281 H HIS A 125 6.135 77.434 58.744 1.00 0.00 H ATOM 1282 N TYR A 126 4.215 79.889 58.463 1.00 17.35 N ATOM 1283 CA TYR A 126 3.543 81.070 57.934 1.00 17.98 C ATOM 1284 C TYR A 126 2.195 81.299 58.600 1.00 16.94 C ATOM 1285 O TYR A 126 1.795 82.447 58.821 1.00 16.89 O ATOM 1286 CB TYR A 126 3.380 80.919 56.414 1.00 17.02 C ATOM 1287 CG TYR A 126 2.510 81.947 55.720 1.00 19.27 C ATOM 1288 CD1 TYR A 126 1.131 81.786 55.646 1.00 19.51 C ATOM 1289 CD2 TYR A 126 3.069 83.059 55.108 1.00 24.56 C ATOM 1290 CE1 TYR A 126 0.332 82.711 54.998 1.00 21.68 C ATOM 1291 CE2 TYR A 126 2.275 83.994 54.459 1.00 23.03 C ATOM 1292 CZ TYR A 126 0.909 83.805 54.401 1.00 22.15 C ATOM 1293 OH TYR A 126 0.112 84.721 53.745 1.00 26.47 O ATOM 1294 HH TYR A 126 -0.834 84.433 53.800 1.00 0.00 H ATOM 1295 H TYR A 126 4.569 79.163 57.808 1.00 0.00 H ATOM 1296 N PHE A 127 1.484 80.230 58.944 1.00 16.59 N ATOM 1297 CA PHE A 127 0.130 80.344 59.470 1.00 16.35 C ATOM 1298 C PHE A 127 0.081 80.524 60.982 1.00 17.85 C ATOM 1299 O PHE A 127 -0.991 80.841 61.508 1.00 19.72 O ATOM 1300 CB PHE A 127 -0.683 79.104 59.065 1.00 18.75 C ATOM 1301 CG PHE A 127 -0.757 78.886 57.579 1.00 17.71 C ATOM 1302 CD1 PHE A 127 -1.800 79.419 56.840 1.00 20.65 C ATOM 1303 CD2 PHE A 127 0.222 78.161 56.921 1.00 18.66 C ATOM 1304 CE1 PHE A 127 -1.865 79.225 55.468 1.00 21.46 C ATOM 1305 CE2 PHE A 127 0.162 77.966 55.554 1.00 19.94 C ATOM 1306 CZ PHE A 127 -0.883 78.499 54.827 1.00 19.60 C ATOM 1307 H PHE A 127 1.906 79.286 58.835 1.00 0.00 H ATOM 1308 N ASP A 128 1.213 80.362 61.676 1.00 15.02 N ATOM 1309 CA ASP A 128 1.206 80.316 63.139 1.00 16.75 C ATOM 1310 C ASP A 128 0.547 81.550 63.738 1.00 19.14 C ATOM 1311 O ASP A 128 -0.251 81.455 64.679 1.00 19.35 O ATOM 1312 CB ASP A 128 2.630 80.202 63.679 1.00 16.90 C ATOM 1313 CG ASP A 128 3.219 78.820 63.525 1.00 19.29 C ATOM 1314 OD1 ASP A 128 2.595 77.969 62.854 1.00 20.88 O ATOM 1315 OD2 ASP A 128 4.316 78.604 64.079 1.00 19.93 O ATOM 1316 H ASP A 128 2.115 80.267 61.167 1.00 0.00 H ATOM 1317 N ARG A 129 0.921 82.730 63.246 1.00 17.16 N ATOM 1318 CA ARG A 129 0.421 83.983 63.798 1.00 17.34 C ATOM 1319 C ARG A 129 -0.138 84.877 62.701 1.00 17.58 C ATOM 1320 O ARG A 129 -0.287 86.088 62.903 1.00 16.85 O ATOM 1321 CB ARG A 129 1.526 84.704 64.576 1.00 17.05 C ATOM 1322 CG ARG A 129 2.064 83.870 65.748 1.00 17.51 C ATOM 1323 CD ARG A 129 3.070 84.619 66.596 1.00 18.04 C ATOM 1324 NE ARG A 129 2.448 85.696 67.356 1.00 16.24 N ATOM 1325 CZ ARG A 129 3.072 86.419 68.285 1.00 20.38 C ATOM 1326 NH1 ARG A 129 4.342 86.173 68.579 1.00 20.79 N ATOM 1327 NH2 ARG A 129 2.417 87.374 68.921 1.00 20.00 N ATOM 1328 HE ARG A 129 1.450 85.915 67.160 1.00 0.00 H ATOM 1329 HH12 ARG A 129 4.827 86.739 69.305 1.00 0.00 H ATOM 1330 HH11 ARG A 129 4.853 85.414 68.084 1.00 0.00 H ATOM 1331 HH22 ARG A 129 2.900 87.941 69.647 1.00 0.00 H ATOM 1332 HH21 ARG A 129 1.419 87.559 68.696 1.00 0.00 H ATOM 1333 H ARG A 129 1.587 82.758 62.448 1.00 0.00 H ATOM 1334 N LEU A 130 -0.471 84.292 61.549 1.00 17.42 N ATOM 1335 CA LEU A 130 -0.946 85.064 60.409 1.00 17.60 C ATOM 1336 C LEU A 130 -2.113 85.965 60.783 1.00 17.68 C ATOM 1337 O LEU A 130 -2.219 87.097 60.292 1.00 17.69 O ATOM 1338 CB LEU A 130 -1.352 84.104 59.287 1.00 18.32 C ATOM 1339 CG LEU A 130 -1.967 84.704 58.025 1.00 18.26 C ATOM 1340 CD1 LEU A 130 -0.954 85.560 57.306 1.00 20.09 C ATOM 1341 CD2 LEU A 130 -2.473 83.577 57.130 1.00 19.68 C ATOM 1342 H LEU A 130 -0.389 83.259 61.463 1.00 0.00 H HETATM 1343 N MSE A 131 -2.996 85.490 61.654 1.00 16.21 N HETATM 1344 CA MSE A 131 -4.224 86.202 61.958 1.00 19.48 C HETATM 1345 C MSE A 131 -4.025 87.472 62.780 1.00 18.32 C HETATM 1346 O MSE A 131 -4.941 88.286 62.906 1.00 20.96 O HETATM 1347 CB MSE A 131 -5.189 85.271 62.707 1.00 22.95 C HETATM 1348 CG MSE A 131 -5.606 84.037 61.924 1.00 28.59 C HETATM 1349 SE MSE A 131 -6.434 84.474 60.183 1.00 35.59 S HETATM 1350 CE MSE A 131 -7.451 86.000 60.651 1.00 48.31 C HETATM 1351 H MSE A 131 -2.803 84.586 62.130 1.00 0.00 H ATOM 1352 N GLU A 132 -2.826 87.643 63.332 1.00 17.15 N ATOM 1353 CA GLU A 132 -2.526 88.807 64.154 1.00 17.19 C ATOM 1354 C GLU A 132 -2.030 89.999 63.350 1.00 17.87 C ATOM 1355 O GLU A 132 -1.855 91.081 63.922 1.00 18.19 O ATOM 1356 CB GLU A 132 -1.482 88.439 65.216 1.00 17.59 C ATOM 1357 CG GLU A 132 -1.976 87.392 66.221 1.00 19.91 C ATOM 1358 CD GLU A 132 -1.153 87.352 67.491 1.00 23.21 C ATOM 1359 OE1 GLU A 132 0.027 86.957 67.434 1.00 23.39 O ATOM 1360 OE2 GLU A 132 -1.696 87.722 68.557 1.00 27.59 O ATOM 1361 H GLU A 132 -2.087 86.929 63.173 1.00 0.00 H ATOM 1362 N TRP A 133 -1.818 89.843 62.037 1.00 16.74 N ATOM 1363 CA TRP A 133 -1.254 90.957 61.272 1.00 15.60 C ATOM 1364 C TRP A 133 -2.237 92.107 61.106 1.00 18.30 C ATOM 1365 O TRP A 133 -1.828 93.267 61.273 1.00 18.33 O ATOM 1366 CB TRP A 133 -0.750 90.455 59.919 1.00 16.73 C ATOM 1367 CG TRP A 133 0.576 89.761 59.992 1.00 15.98 C ATOM 1368 CD1 TRP A 133 0.795 88.426 60.170 1.00 16.35 C ATOM 1369 CD2 TRP A 133 1.871 90.365 59.892 1.00 15.87 C ATOM 1370 NE1 TRP A 133 2.141 88.162 60.177 1.00 17.17 N ATOM 1371 CE2 TRP A 133 2.826 89.338 60.009 1.00 18.09 C ATOM 1372 CE3 TRP A 133 2.317 91.683 59.716 1.00 17.59 C ATOM 1373 CZ2 TRP A 133 4.199 89.578 59.953 1.00 17.80 C ATOM 1374 CZ3 TRP A 133 3.681 91.919 59.662 1.00 18.32 C ATOM 1375 CH2 TRP A 133 4.606 90.874 59.786 1.00 18.23 C ATOM 1376 HE1 TRP A 133 2.572 87.222 60.291 1.00 0.00 H ATOM 1377 H TRP A 133 -2.050 88.944 61.568 1.00 0.00 H ATOM 1378 N PRO A 134 -3.511 91.884 60.766 1.00 16.80 N ATOM 1379 CA PRO A 134 -4.409 93.041 60.564 1.00 19.40 C ATOM 1380 C PRO A 134 -4.469 93.985 61.758 1.00 20.17 C ATOM 1381 O PRO A 134 -4.476 95.209 61.574 1.00 20.31 O ATOM 1382 CB PRO A 134 -5.765 92.375 60.274 1.00 20.98 C ATOM 1383 CG PRO A 134 -5.384 91.069 59.611 1.00 19.60 C ATOM 1384 CD PRO A 134 -4.144 90.614 60.353 1.00 18.22 C ATOM 1385 N ALA A 135 -4.496 93.453 62.982 1.00 18.90 N ATOM 1386 CA ALA A 135 -4.493 94.313 64.161 1.00 20.74 C ATOM 1387 C ALA A 135 -3.217 95.145 64.241 1.00 19.11 C ATOM 1388 O ALA A 135 -3.256 96.328 64.605 1.00 21.79 O ATOM 1389 CB ALA A 135 -4.657 93.464 65.420 1.00 22.94 C ATOM 1390 H ALA A 135 -4.519 92.420 63.096 1.00 0.00 H ATOM 1391 N LEU A 136 -2.072 94.544 63.913 1.00 18.91 N ATOM 1392 CA LEU A 136 -0.826 95.299 63.917 1.00 18.32 C ATOM 1393 C LEU A 136 -0.837 96.362 62.826 1.00 17.24 C ATOM 1394 O LEU A 136 -0.440 97.506 63.064 1.00 19.21 O ATOM 1395 CB LEU A 136 0.366 94.362 63.732 1.00 19.04 C ATOM 1396 CG LEU A 136 1.726 95.051 63.610 1.00 19.33 C ATOM 1397 CD1 LEU A 136 2.024 95.885 64.853 1.00 20.44 C ATOM 1398 CD2 LEU A 136 2.835 94.032 63.363 1.00 18.53 C ATOM 1399 H LEU A 136 -2.069 93.537 63.654 1.00 0.00 H ATOM 1400 N VAL A 137 -1.296 96.005 61.626 1.00 18.91 N ATOM 1401 CA VAL A 137 -1.308 96.971 60.533 1.00 16.91 C ATOM 1402 C VAL A 137 -2.176 98.167 60.895 1.00 18.63 C ATOM 1403 O VAL A 137 -1.806 99.319 60.643 1.00 19.31 O ATOM 1404 CB VAL A 137 -1.763 96.292 59.229 1.00 16.54 C ATOM 1405 CG1 VAL A 137 -1.915 97.321 58.112 1.00 18.62 C ATOM 1406 CG2 VAL A 137 -0.761 95.220 58.818 1.00 18.95 C ATOM 1407 H VAL A 137 -1.645 95.038 61.469 1.00 0.00 H ATOM 1408 N ALA A 138 -3.336 97.921 61.513 1.00 20.02 N ATOM 1409 CA ALA A 138 -4.186 99.025 61.944 1.00 21.33 C ATOM 1410 C ALA A 138 -3.458 99.920 62.943 1.00 19.71 C ATOM 1411 O ALA A 138 -3.549 101.155 62.872 1.00 22.39 O ATOM 1412 CB ALA A 138 -5.481 98.487 62.552 1.00 23.84 C ATOM 1413 H ALA A 138 -3.633 96.940 61.687 1.00 0.00 H ATOM 1414 N ASP A 139 -2.723 99.318 63.884 1.00 21.22 N ATOM 1415 CA ASP A 139 -1.982 100.118 64.854 1.00 20.79 C ATOM 1416 C ASP A 139 -0.838 100.876 64.193 1.00 19.88 C ATOM 1417 O ASP A 139 -0.530 102.003 64.600 1.00 21.54 O ATOM 1418 CB ASP A 139 -1.449 99.221 65.977 1.00 22.16 C ATOM 1419 CG ASP A 139 -2.548 98.721 66.899 1.00 29.02 C ATOM 1420 OD1 ASP A 139 -3.632 99.340 66.934 1.00 31.06 O ATOM 1421 OD2 ASP A 139 -2.320 97.714 67.600 1.00 27.85 O ATOM 1422 H ASP A 139 -2.679 98.280 63.925 1.00 0.00 H ATOM 1423 N LEU A 140 -0.209 100.290 63.173 1.00 20.90 N ATOM 1424 CA LEU A 140 0.831 101.005 62.442 1.00 20.97 C ATOM 1425 C LEU A 140 0.248 102.182 61.672 1.00 21.86 C ATOM 1426 O LEU A 140 0.844 103.265 61.644 1.00 22.26 O ATOM 1427 CB LEU A 140 1.557 100.049 61.500 1.00 16.87 C ATOM 1428 CG LEU A 140 2.456 99.009 62.171 1.00 19.25 C ATOM 1429 CD1 LEU A 140 2.875 97.953 61.145 1.00 18.99 C ATOM 1430 CD2 LEU A 140 3.678 99.654 62.798 1.00 19.95 C ATOM 1431 H LEU A 140 -0.461 99.319 62.898 1.00 0.00 H ATOM 1432 N HIS A 141 -0.910 101.988 61.028 1.00 20.12 N ATOM 1433 CA HIS A 141 -1.582 103.107 60.376 1.00 20.27 C ATOM 1434 C HIS A 141 -1.853 104.234 61.366 1.00 24.26 C ATOM 1435 O HIS A 141 -1.629 105.409 61.059 1.00 24.85 O ATOM 1436 CB HIS A 141 -2.892 102.641 59.740 1.00 23.59 C ATOM 1437 CG HIS A 141 -2.731 102.042 58.377 1.00 22.50 C ATOM 1438 ND1 HIS A 141 -3.177 102.671 57.233 1.00 24.01 N ATOM 1439 CD2 HIS A 141 -2.186 100.871 57.975 1.00 21.91 C ATOM 1440 CE1 HIS A 141 -2.910 101.912 56.184 1.00 23.39 C ATOM 1441 NE2 HIS A 141 -2.309 100.813 56.606 1.00 21.66 N ATOM 1442 H HIS A 141 -1.331 101.038 60.993 1.00 0.00 H ATOM 1443 N ARG A 142 -2.332 103.891 62.564 1.00 22.14 N ATOM 1444 CA ARG A 142 -2.671 104.921 63.542 1.00 24.50 C ATOM 1445 C ARG A 142 -1.425 105.636 64.044 1.00 27.48 C ATOM 1446 O ARG A 142 -1.428 106.863 64.198 1.00 28.65 O ATOM 1447 CB ARG A 142 -3.442 104.299 64.705 1.00 28.37 C ATOM 1448 CG ARG A 142 -3.802 105.294 65.799 1.00 37.06 C ATOM 1449 CD ARG A 142 -4.908 104.760 66.695 1.00 48.58 C ATOM 1450 NE ARG A 142 -4.590 103.446 67.247 1.00 56.93 N ATOM 1451 CZ ARG A 142 -3.852 103.246 68.336 1.00 64.20 C ATOM 1452 NH1 ARG A 142 -3.341 104.276 68.998 1.00 65.40 N ATOM 1453 NH2 ARG A 142 -3.623 102.011 68.761 1.00 65.83 N ATOM 1454 HE ARG A 142 -4.966 102.610 66.756 1.00 0.00 H ATOM 1455 HH12 ARG A 142 -2.765 104.113 69.849 1.00 0.00 H ATOM 1456 HH11 ARG A 142 -3.516 105.246 68.666 1.00 0.00 H ATOM 1457 HH22 ARG A 142 -3.046 101.852 69.612 1.00 0.00 H ATOM 1458 HH21 ARG A 142 -4.020 101.201 68.243 1.00 0.00 H ATOM 1459 H ARG A 142 -2.464 102.887 62.801 1.00 0.00 H ATOM 1460 N ALA A 143 -0.351 104.891 64.310 1.00 25.62 N ATOM 1461 CA ALA A 143 0.894 105.516 64.741 1.00 26.38 C ATOM 1462 C ALA A 143 1.407 106.490 63.690 1.00 27.07 C ATOM 1463 O ALA A 143 1.849 107.598 64.017 1.00 28.66 O ATOM 1464 CB ALA A 143 1.942 104.442 65.033 1.00 25.63 C ATOM 1465 H ALA A 143 -0.402 103.857 64.209 1.00 0.00 H ATOM 1466 N CYS A 144 1.355 106.097 62.418 1.00 26.90 N ATOM 1467 CA CYS A 144 1.802 106.980 61.349 1.00 27.34 C ATOM 1468 C CYS A 144 0.871 108.178 61.209 1.00 31.87 C ATOM 1469 O CYS A 144 1.331 109.316 61.037 1.00 33.16 O ATOM 1470 CB CYS A 144 1.894 106.186 60.043 1.00 28.73 C ATOM 1471 SG CYS A 144 2.523 107.106 58.627 1.00 36.25 S ATOM 1472 H CYS A 144 0.992 105.151 62.186 1.00 0.00 H ATOM 1473 N ARG A 145 -0.438 107.947 61.315 1.00 32.60 N ATOM 1474 CA ARG A 145 -1.408 109.033 61.212 1.00 35.39 C ATOM 1475 C ARG A 145 -1.225 110.043 62.338 1.00 36.78 C ATOM 1476 O ARG A 145 -1.236 111.260 62.107 1.00 40.06 O ATOM 1477 CB ARG A 145 -2.823 108.452 61.226 1.00 38.79 C ATOM 1478 CG ARG A 145 -3.933 109.472 61.053 1.00 50.10 C ATOM 1479 CD ARG A 145 -5.245 108.797 60.652 1.00 61.61 C ATOM 1480 NE ARG A 145 -5.586 107.671 61.520 1.00 71.52 N ATOM 1481 CZ ARG A 145 -5.461 106.385 61.187 1.00 78.43 C ATOM 1482 NH1 ARG A 145 -5.002 106.032 59.992 1.00 84.27 N ATOM 1483 NH2 ARG A 145 -5.804 105.446 62.058 1.00 74.22 N ATOM 1484 HE ARG A 145 -5.954 107.889 62.468 1.00 0.00 H ATOM 1485 HH12 ARG A 145 -4.910 105.026 59.747 1.00 0.00 H ATOM 1486 HH11 ARG A 145 -4.734 106.762 59.301 1.00 0.00 H ATOM 1487 HH22 ARG A 145 -5.709 104.442 61.804 1.00 0.00 H ATOM 1488 HH21 ARG A 145 -6.168 105.714 62.995 1.00 0.00 H ATOM 1489 H ARG A 145 -0.774 106.976 61.474 1.00 0.00 H ATOM 1490 N GLU A 146 -1.056 109.558 63.565 1.00 36.99 N ATOM 1491 CA GLU A 146 -0.889 110.412 64.733 1.00 37.54 C ATOM 1492 C GLU A 146 0.518 110.981 64.859 1.00 36.89 C ATOM 1493 O GLU A 146 0.801 111.672 65.845 1.00 41.30 O ATOM 1494 CB GLU A 146 -1.252 109.627 65.999 1.00 38.99 C ATOM 1495 CG GLU A 146 -2.743 109.346 66.128 1.00 41.66 C ATOM 1496 CD GLU A 146 -3.073 108.362 67.235 1.00 46.06 C ATOM 1497 OE1 GLU A 146 -2.136 107.819 67.858 1.00 44.92 O ATOM 1498 OE2 GLU A 146 -4.277 108.129 67.480 1.00 52.39 O ATOM 1499 H GLU A 146 -1.043 108.526 63.696 1.00 0.00 H ATOM 1500 N LYS A 147 1.399 110.715 63.892 1.00 36.40 N ATOM 1501 CA LYS A 147 2.756 111.260 63.895 1.00 39.47 C ATOM 1502 C LYS A 147 3.540 110.802 65.119 1.00 37.78 C ATOM 1503 O LYS A 147 4.379 111.537 65.652 1.00 37.96 O ATOM 1504 CB LYS A 147 2.729 112.789 63.813 1.00 45.76 C ATOM 1505 CG LYS A 147 2.035 113.332 62.570 1.00 57.68 C ATOM 1506 CD LYS A 147 2.939 113.279 61.346 1.00 68.27 C ATOM 1507 CE LYS A 147 2.306 114.000 60.162 1.00 77.04 C ATOM 1508 NZ LYS A 147 2.891 113.566 58.862 1.00 79.53 N ATOM 1509 HZ1 LYS A 147 3.911 113.769 58.857 1.00 0.00 H ATOM 1510 HZ2 LYS A 147 2.739 112.545 58.739 1.00 0.00 H ATOM 1511 HZ3 LYS A 147 2.430 114.083 58.086 1.00 0.00 H ATOM 1512 H LYS A 147 1.109 110.097 63.107 1.00 0.00 H ATOM 1513 N ARG A 148 3.269 109.580 65.570 1.00 35.78 N ATOM 1514 CA ARG A 148 3.994 109.008 66.695 1.00 33.19 C ATOM 1515 C ARG A 148 5.478 108.885 66.370 1.00 32.55 C ATOM 1516 O ARG A 148 5.861 108.549 65.249 1.00 34.66 O ATOM 1517 CB ARG A 148 3.406 107.641 67.042 1.00 35.80 C ATOM 1518 CG ARG A 148 4.273 106.807 67.953 1.00 44.89 C ATOM 1519 CD ARG A 148 3.585 105.509 68.339 1.00 51.53 C ATOM 1520 NE ARG A 148 2.512 105.711 69.310 1.00 57.00 N ATOM 1521 CZ ARG A 148 2.700 106.135 70.557 1.00 62.17 C ATOM 1522 NH1 ARG A 148 3.922 106.423 70.989 1.00 61.24 N ATOM 1523 NH2 ARG A 148 1.665 106.277 71.372 1.00 68.17 N ATOM 1524 HE ARG A 148 1.538 105.510 69.007 1.00 0.00 H ATOM 1525 HH12 ARG A 148 4.064 106.754 71.965 1.00 0.00 H ATOM 1526 HH11 ARG A 148 4.737 106.317 70.352 1.00 0.00 H ATOM 1527 HH22 ARG A 148 1.812 106.608 72.347 1.00 0.00 H ATOM 1528 HH21 ARG A 148 0.705 106.057 71.037 1.00 0.00 H ATOM 1529 H ARG A 148 2.523 109.021 65.109 1.00 0.00 H ATOM 1530 N ASP A 149 6.316 109.166 67.359 1.00 31.56 N ATOM 1531 CA ASP A 149 7.760 109.059 67.172 1.00 31.74 C ATOM 1532 C ASP A 149 8.157 107.588 67.082 1.00 30.43 C ATOM 1533 O ASP A 149 7.853 106.822 68.003 1.00 29.62 O ATOM 1534 CB ASP A 149 8.491 109.741 68.326 1.00 32.31 C ATOM 1535 CG ASP A 149 9.977 109.920 68.058 1.00 38.13 C ATOM 1536 OD1 ASP A 149 10.576 109.066 67.371 1.00 37.88 O ATOM 1537 OD2 ASP A 149 10.547 110.921 68.542 1.00 41.15 O ATOM 1538 H ASP A 149 5.939 109.467 68.281 1.00 0.00 H ATOM 1539 N PRO A 150 8.824 107.154 66.007 1.00 29.63 N ATOM 1540 CA PRO A 150 9.230 105.739 65.941 1.00 28.41 C ATOM 1541 C PRO A 150 10.078 105.295 67.120 1.00 29.10 C ATOM 1542 O PRO A 150 10.072 104.104 67.457 1.00 28.26 O ATOM 1543 CB PRO A 150 10.019 105.659 64.623 1.00 31.72 C ATOM 1544 CG PRO A 150 9.506 106.793 63.798 1.00 32.44 C ATOM 1545 CD PRO A 150 9.163 107.891 64.772 1.00 30.42 C ATOM 1546 N ALA A 151 10.805 106.213 67.758 1.00 31.47 N ATOM 1547 CA ALA A 151 11.679 105.869 68.872 1.00 29.36 C ATOM 1548 C ALA A 151 10.978 105.916 70.223 1.00 29.32 C ATOM 1549 O ALA A 151 11.588 105.544 71.232 1.00 30.47 O ATOM 1550 CB ALA A 151 12.890 106.809 68.897 1.00 33.02 C ATOM 1551 H ALA A 151 10.746 107.205 67.451 1.00 0.00 H ATOM 1552 N SER A 152 9.723 106.372 70.271 1.00 29.67 N ATOM 1553 CA SER A 152 8.982 106.396 71.518 1.00 29.77 C ATOM 1554 C SER A 152 8.755 104.971 72.013 1.00 27.16 C ATOM 1555 O SER A 152 8.826 104.015 71.239 1.00 27.99 O ATOM 1556 CB SER A 152 7.638 107.094 71.328 1.00 31.44 C ATOM 1557 OG SER A 152 6.805 106.353 70.451 1.00 32.73 O ATOM 1558 HG SER A 152 7.248 106.268 69.570 1.00 0.00 H ATOM 1559 H SER A 152 9.270 106.715 69.400 1.00 0.00 H ATOM 1560 N PRO A 153 8.475 104.807 73.308 1.00 27.03 N ATOM 1561 CA PRO A 153 8.233 103.442 73.821 1.00 29.12 C ATOM 1562 C PRO A 153 7.158 102.693 73.052 1.00 31.74 C ATOM 1563 O PRO A 153 7.344 101.527 72.694 1.00 27.04 O ATOM 1564 CB PRO A 153 7.840 103.691 75.283 1.00 31.96 C ATOM 1565 CG PRO A 153 8.516 104.976 75.635 1.00 34.30 C ATOM 1566 CD PRO A 153 8.463 105.815 74.385 1.00 32.31 C ATOM 1567 N GLY A 154 6.024 103.340 72.778 1.00 32.24 N ATOM 1568 CA GLY A 154 4.948 102.644 72.072 1.00 38.53 C ATOM 1569 C GLY A 154 5.256 102.472 70.590 1.00 32.11 C ATOM 1570 O GLY A 154 4.734 101.540 69.970 1.00 27.73 O ATOM 1571 H GLY A 154 5.906 104.333 73.064 1.00 0.00 H ATOM 1572 N GLY A 155 6.093 103.332 70.009 1.00 27.15 N ATOM 1573 CA GLY A 155 6.592 103.064 68.671 1.00 25.99 C ATOM 1574 C GLY A 155 7.493 101.845 68.636 1.00 24.87 C ATOM 1575 O GLY A 155 7.420 101.026 67.713 1.00 23.47 O ATOM 1576 H GLY A 155 6.388 104.193 70.512 1.00 0.00 H ATOM 1577 N GLN A 156 8.348 101.699 69.650 1.00 24.23 N ATOM 1578 CA GLN A 156 9.193 100.513 69.743 1.00 24.19 C ATOM 1579 C GLN A 156 8.377 99.269 70.076 1.00 23.50 C ATOM 1580 O GLN A 156 8.746 98.163 69.670 1.00 22.41 O ATOM 1581 CB GLN A 156 10.291 100.742 70.783 1.00 25.64 C ATOM 1582 CG GLN A 156 11.381 101.687 70.300 1.00 27.81 C ATOM 1583 CD GLN A 156 12.071 101.174 69.051 1.00 29.11 C ATOM 1584 OE1 GLN A 156 12.916 100.282 69.119 1.00 31.54 O ATOM 1585 NE2 GLN A 156 11.696 101.717 67.903 1.00 27.53 N ATOM 1586 HE22 GLN A 156 10.978 102.469 67.894 1.00 0.00 H ATOM 1587 HE21 GLN A 156 12.120 101.392 67.011 1.00 0.00 H ATOM 1588 H GLN A 156 8.413 102.437 70.380 1.00 0.00 H ATOM 1589 N GLN A 157 7.275 99.421 70.814 1.00 23.69 N ATOM 1590 CA GLN A 157 6.376 98.293 71.027 1.00 24.98 C ATOM 1591 C GLN A 157 5.851 97.763 69.698 1.00 22.31 C ATOM 1592 O GLN A 157 5.721 96.546 69.513 1.00 22.67 O ATOM 1593 CB GLN A 157 5.221 98.709 71.934 1.00 34.24 C ATOM 1594 CG GLN A 157 4.288 97.570 72.303 1.00 50.50 C ATOM 1595 CD GLN A 157 3.279 97.966 73.362 1.00 64.68 C ATOM 1596 OE1 GLN A 157 3.609 98.666 74.322 1.00 70.37 O ATOM 1597 NE2 GLN A 157 2.040 97.523 73.191 1.00 66.24 N ATOM 1598 HE22 GLN A 157 1.807 96.935 72.365 1.00 0.00 H ATOM 1599 HE21 GLN A 157 1.302 97.764 73.883 1.00 0.00 H ATOM 1600 H GLN A 157 7.057 100.346 71.238 1.00 0.00 H ATOM 1601 N LEU A 158 5.551 98.666 68.756 1.00 22.24 N ATOM 1602 CA LEU A 158 5.074 98.250 67.441 1.00 21.84 C ATOM 1603 C LEU A 158 6.177 97.569 66.643 1.00 21.38 C ATOM 1604 O LEU A 158 5.924 96.579 65.942 1.00 20.22 O ATOM 1605 CB LEU A 158 4.529 99.465 66.686 1.00 20.74 C ATOM 1606 CG LEU A 158 3.211 100.007 67.235 1.00 23.26 C ATOM 1607 CD1 LEU A 158 2.903 101.379 66.653 1.00 25.73 C ATOM 1608 CD2 LEU A 158 2.073 99.035 66.956 1.00 27.22 C ATOM 1609 H LEU A 158 5.660 99.679 68.965 1.00 0.00 H ATOM 1610 N ALA A 159 7.406 98.085 66.721 1.00 20.56 N ATOM 1611 CA ALA A 159 8.524 97.422 66.061 1.00 21.12 C ATOM 1612 C ALA A 159 8.755 96.029 66.639 1.00 22.26 C ATOM 1613 O ALA A 159 9.022 95.080 65.895 1.00 21.96 O ATOM 1614 CB ALA A 159 9.787 98.273 66.189 1.00 21.82 C ATOM 1615 H ALA A 159 7.566 98.963 67.255 1.00 0.00 H ATOM 1616 N GLN A 160 8.651 95.885 67.965 1.00 22.25 N ATOM 1617 CA GLN A 160 8.813 94.573 68.580 1.00 22.18 C ATOM 1618 C GLN A 160 7.712 93.620 68.135 1.00 21.28 C ATOM 1619 O GLN A 160 7.963 92.432 67.904 1.00 22.17 O ATOM 1620 CB GLN A 160 8.811 94.696 70.102 1.00 22.85 C ATOM 1621 CG GLN A 160 10.013 95.419 70.684 1.00 34.83 C ATOM 1622 CD GLN A 160 11.300 94.614 70.601 1.00 40.85 C ATOM 1623 OE1 GLN A 160 11.305 93.451 70.200 1.00 37.80 O ATOM 1624 NE2 GLN A 160 12.405 95.239 70.990 1.00 48.16 N ATOM 1625 HE22 GLN A 160 12.356 96.223 71.322 1.00 0.00 H ATOM 1626 HE21 GLN A 160 13.319 94.744 70.962 1.00 0.00 H ATOM 1627 H GLN A 160 8.453 96.714 68.561 1.00 0.00 H ATOM 1628 N ARG A 161 6.477 94.116 68.026 1.00 19.08 N ATOM 1629 CA ARG A 161 5.388 93.260 67.565 1.00 17.31 C ATOM 1630 C ARG A 161 5.646 92.794 66.142 1.00 16.43 C ATOM 1631 O ARG A 161 5.446 91.614 65.824 1.00 17.03 O ATOM 1632 CB ARG A 161 4.053 93.991 67.669 1.00 19.58 C ATOM 1633 CG ARG A 161 3.507 94.042 69.087 1.00 18.82 C ATOM 1634 CD ARG A 161 2.317 94.986 69.190 1.00 21.11 C ATOM 1635 NE ARG A 161 1.180 94.525 68.402 1.00 20.11 N ATOM 1636 CZ ARG A 161 0.115 95.269 68.117 1.00 19.58 C ATOM 1637 NH1 ARG A 161 0.042 96.518 68.554 1.00 21.28 N ATOM 1638 NH2 ARG A 161 -0.876 94.767 67.395 1.00 22.30 N ATOM 1639 HE ARG A 161 1.203 93.551 68.039 1.00 0.00 H ATOM 1640 HH12 ARG A 161 -0.791 97.099 68.331 1.00 0.00 H ATOM 1641 HH11 ARG A 161 0.818 96.917 69.120 1.00 0.00 H ATOM 1642 HH22 ARG A 161 -1.707 95.352 67.174 1.00 0.00 H ATOM 1643 HH21 ARG A 161 -0.823 93.788 67.049 1.00 0.00 H ATOM 1644 H ARG A 161 6.291 95.110 68.269 1.00 0.00 H ATOM 1645 N TRP A 162 6.100 93.700 65.271 1.00 19.27 N ATOM 1646 CA TRP A 162 6.433 93.299 63.909 1.00 17.52 C ATOM 1647 C TRP A 162 7.495 92.210 63.911 1.00 17.56 C ATOM 1648 O TRP A 162 7.359 91.191 63.223 1.00 17.20 O ATOM 1649 CB TRP A 162 6.923 94.499 63.094 1.00 19.18 C ATOM 1650 CG TRP A 162 7.460 94.086 61.746 1.00 20.50 C ATOM 1651 CD1 TRP A 162 6.754 93.969 60.586 1.00 24.47 C ATOM 1652 CD2 TRP A 162 8.814 93.721 61.433 1.00 22.54 C ATOM 1653 NE1 TRP A 162 7.583 93.553 59.569 1.00 22.73 N ATOM 1654 CE2 TRP A 162 8.849 93.396 60.061 1.00 25.24 C ATOM 1655 CE3 TRP A 162 9.992 93.638 62.178 1.00 26.82 C ATOM 1656 CZ2 TRP A 162 10.022 92.998 59.420 1.00 25.03 C ATOM 1657 CZ3 TRP A 162 11.156 93.245 61.539 1.00 32.12 C ATOM 1658 CH2 TRP A 162 11.161 92.929 60.173 1.00 28.09 C ATOM 1659 HE1 TRP A 162 7.293 93.385 58.584 1.00 0.00 H ATOM 1660 H TRP A 162 6.216 94.691 65.564 1.00 0.00 H ATOM 1661 N LEU A 163 8.564 92.409 64.682 1.00 19.19 N ATOM 1662 CA LEU A 163 9.635 91.420 64.728 1.00 18.23 C ATOM 1663 C LEU A 163 9.107 90.057 65.154 1.00 19.16 C ATOM 1664 O LEU A 163 9.474 89.035 64.569 1.00 18.87 O ATOM 1665 CB LEU A 163 10.739 91.883 65.678 1.00 22.26 C ATOM 1666 CG LEU A 163 11.965 90.974 65.750 1.00 23.93 C ATOM 1667 CD1 LEU A 163 12.668 90.920 64.402 1.00 26.33 C ATOM 1668 CD2 LEU A 163 12.921 91.438 66.839 1.00 27.49 C ATOM 1669 H LEU A 163 8.635 93.275 65.254 1.00 0.00 H ATOM 1670 N ALA A 164 8.243 90.020 66.172 1.00 18.08 N ATOM 1671 CA ALA A 164 7.712 88.741 66.633 1.00 20.23 C ATOM 1672 C ALA A 164 6.938 88.039 65.523 1.00 19.68 C ATOM 1673 O ALA A 164 7.111 86.835 65.301 1.00 18.95 O ATOM 1674 CB ALA A 164 6.830 88.952 67.859 1.00 22.18 C ATOM 1675 H ALA A 164 7.949 90.903 66.636 1.00 0.00 H ATOM 1676 N LEU A 165 6.088 88.775 64.803 1.00 16.53 N ATOM 1677 CA LEU A 165 5.312 88.160 63.733 1.00 15.13 C ATOM 1678 C LEU A 165 6.209 87.788 62.556 1.00 16.80 C ATOM 1679 O LEU A 165 6.018 86.739 61.928 1.00 17.67 O ATOM 1680 CB LEU A 165 4.200 89.100 63.276 1.00 16.66 C ATOM 1681 CG LEU A 165 3.153 89.506 64.310 1.00 17.56 C ATOM 1682 CD1 LEU A 165 2.021 90.259 63.628 1.00 16.94 C ATOM 1683 CD2 LEU A 165 2.606 88.313 65.082 1.00 20.35 C ATOM 1684 H LEU A 165 5.979 89.789 65.006 1.00 0.00 H ATOM 1685 N PHE A 166 7.192 88.636 62.249 1.00 19.69 N ATOM 1686 CA PHE A 166 8.142 88.338 61.181 1.00 17.22 C ATOM 1687 C PHE A 166 8.955 87.091 61.503 1.00 17.53 C ATOM 1688 O PHE A 166 9.049 86.168 60.680 1.00 20.44 O ATOM 1689 CB PHE A 166 9.053 89.548 60.958 1.00 17.65 C ATOM 1690 CG PHE A 166 10.177 89.311 59.985 1.00 20.65 C ATOM 1691 CD1 PHE A 166 9.920 89.153 58.635 1.00 21.45 C ATOM 1692 CD2 PHE A 166 11.492 89.278 60.418 1.00 23.13 C ATOM 1693 CE1 PHE A 166 10.954 88.943 57.736 1.00 23.22 C ATOM 1694 CE2 PHE A 166 12.530 89.072 59.526 1.00 23.97 C ATOM 1695 CZ PHE A 166 12.259 88.903 58.180 1.00 23.52 C ATOM 1696 H PHE A 166 7.283 89.526 62.780 1.00 0.00 H ATOM 1697 N GLN A 167 9.557 87.043 62.696 1.00 19.20 N ATOM 1698 CA GLN A 167 10.366 85.884 63.065 1.00 19.39 C ATOM 1699 C GLN A 167 9.519 84.622 63.164 1.00 16.42 C ATOM 1700 O GLN A 167 10.041 83.510 62.998 1.00 18.76 O ATOM 1701 CB GLN A 167 11.096 86.151 64.381 1.00 23.38 C ATOM 1702 CG GLN A 167 12.114 87.281 64.275 1.00 31.76 C ATOM 1703 CD GLN A 167 13.093 87.307 65.432 1.00 40.24 C ATOM 1704 OE1 GLN A 167 14.303 87.424 65.232 1.00 43.36 O ATOM 1705 NE2 GLN A 167 12.575 87.207 66.648 1.00 37.82 N ATOM 1706 HE22 GLN A 167 11.547 87.110 66.769 1.00 0.00 H ATOM 1707 HE21 GLN A 167 13.197 87.226 67.481 1.00 0.00 H ATOM 1708 H GLN A 167 9.449 87.833 63.363 1.00 0.00 H ATOM 1709 N SER A 168 8.217 84.763 63.430 1.00 17.88 N ATOM 1710 CA SER A 168 7.344 83.600 63.477 1.00 17.97 C ATOM 1711 C SER A 168 7.372 82.840 62.157 1.00 17.62 C ATOM 1712 O SER A 168 7.441 81.607 62.146 1.00 21.54 O ATOM 1713 CB SER A 168 5.914 84.019 63.815 1.00 22.18 C ATOM 1714 OG SER A 168 5.037 82.904 63.777 1.00 24.50 O ATOM 1715 HG SER A 168 5.335 82.228 64.436 1.00 0.00 H ATOM 1716 H SER A 168 7.825 85.710 63.605 1.00 0.00 H ATOM 1717 N TYR A 169 7.321 83.556 61.032 1.00 18.62 N ATOM 1718 CA TYR A 169 7.296 82.887 59.736 1.00 20.04 C ATOM 1719 C TYR A 169 8.685 82.723 59.138 1.00 20.26 C ATOM 1720 O TYR A 169 8.932 81.740 58.427 1.00 20.85 O ATOM 1721 CB TYR A 169 6.372 83.633 58.753 1.00 23.48 C ATOM 1722 CG TYR A 169 6.954 84.844 58.056 1.00 24.05 C ATOM 1723 CD1 TYR A 169 7.832 84.705 56.992 1.00 23.56 C ATOM 1724 CD2 TYR A 169 6.590 86.134 58.430 1.00 27.03 C ATOM 1725 CE1 TYR A 169 8.362 85.799 56.344 1.00 31.26 C ATOM 1726 CE2 TYR A 169 7.113 87.239 57.788 1.00 36.32 C ATOM 1727 CZ TYR A 169 7.997 87.066 56.744 1.00 41.11 C ATOM 1728 OH TYR A 169 8.522 88.161 56.094 1.00 51.21 O ATOM 1729 HH TYR A 169 7.786 88.693 55.698 1.00 0.00 H ATOM 1730 H TYR A 169 7.299 84.595 61.079 1.00 0.00 H ATOM 1731 N ALA A 170 9.602 83.647 59.419 1.00 16.70 N ATOM 1732 CA ALA A 170 10.916 83.634 58.801 1.00 17.57 C ATOM 1733 C ALA A 170 11.945 82.835 59.583 1.00 20.29 C ATOM 1734 O ALA A 170 12.945 82.395 58.995 1.00 21.79 O ATOM 1735 CB ALA A 170 11.430 85.068 58.626 1.00 19.41 C ATOM 1736 H ALA A 170 9.371 84.398 60.100 1.00 0.00 H ATOM 1737 N GLY A 171 11.733 82.643 60.879 1.00 25.26 N ATOM 1738 CA GLY A 171 12.752 82.064 61.729 1.00 29.29 C ATOM 1739 C GLY A 171 13.658 83.124 62.317 1.00 28.65 C ATOM 1740 O GLY A 171 13.505 84.327 62.087 1.00 26.44 O ATOM 1741 H GLY A 171 10.818 82.914 61.292 1.00 0.00 H ATOM 1742 N LYS A 172 14.633 82.656 63.096 1.00 30.47 N ATOM 1743 CA LYS A 172 15.513 83.531 63.856 1.00 32.53 C ATOM 1744 C LYS A 172 16.898 83.682 63.244 1.00 33.82 C ATOM 1745 O LYS A 172 17.747 84.364 63.830 1.00 37.90 O ATOM 1746 CB LYS A 172 15.666 83.006 65.289 1.00 40.49 C ATOM 1747 CG LYS A 172 14.384 82.943 66.092 1.00 49.35 C ATOM 1748 CD LYS A 172 14.652 82.309 67.450 1.00 58.62 C ATOM 1749 CE LYS A 172 13.430 82.346 68.327 1.00 63.76 C ATOM 1750 NZ LYS A 172 13.706 81.653 69.644 1.00 73.41 N ATOM 1751 HZ1 LYS A 172 13.966 80.662 69.465 1.00 0.00 H ATOM 1752 HZ2 LYS A 172 14.488 82.135 70.131 1.00 0.00 H ATOM 1753 HZ3 LYS A 172 12.853 81.687 70.238 1.00 0.00 H ATOM 1754 H LYS A 172 14.770 81.627 63.163 1.00 0.00 H ATOM 1755 N ASP A 173 17.156 83.059 62.099 1.00 31.50 N ATOM 1756 CA ASP A 173 18.481 83.104 61.494 1.00 32.74 C ATOM 1757 C ASP A 173 18.651 84.423 60.747 1.00 31.81 C ATOM 1758 O ASP A 173 17.849 84.751 59.864 1.00 30.04 O ATOM 1759 CB ASP A 173 18.680 81.914 60.558 1.00 36.45 C ATOM 1760 CG ASP A 173 20.099 81.822 60.028 1.00 48.00 C ATOM 1761 OD1 ASP A 173 20.546 82.765 59.341 1.00 50.46 O ATOM 1762 OD2 ASP A 173 20.774 80.809 60.311 1.00 54.02 O ATOM 1763 H ASP A 173 16.397 82.529 61.625 1.00 0.00 H ATOM 1764 N ALA A 174 19.697 85.173 61.103 1.00 35.79 N ATOM 1765 CA ALA A 174 19.902 86.493 60.518 1.00 36.39 C ATOM 1766 C ALA A 174 20.072 86.412 59.006 1.00 33.52 C ATOM 1767 O ALA A 174 19.535 87.246 58.268 1.00 32.76 O ATOM 1768 CB ALA A 174 21.117 87.164 61.157 1.00 39.67 C ATOM 1769 H ALA A 174 20.373 84.812 61.806 1.00 0.00 H ATOM 1770 N GLN A 175 20.820 85.418 58.524 1.00 33.21 N ATOM 1771 CA GLN A 175 21.033 85.295 57.086 1.00 38.37 C ATOM 1772 C GLN A 175 19.732 84.947 56.370 1.00 33.09 C ATOM 1773 O GLN A 175 19.448 85.480 55.290 1.00 32.08 O ATOM 1774 CB GLN A 175 22.105 84.243 56.805 1.00 51.98 C ATOM 1775 CG GLN A 175 22.722 84.337 55.419 1.00 64.81 C ATOM 1776 CD GLN A 175 23.601 85.565 55.249 1.00 72.61 C ATOM 1777 OE1 GLN A 175 23.957 86.229 56.223 1.00 73.66 O ATOM 1778 NE2 GLN A 175 23.954 85.872 54.005 1.00 74.65 N ATOM 1779 HE22 GLN A 175 23.630 85.282 53.212 1.00 0.00 H ATOM 1780 HE21 GLN A 175 24.554 86.702 53.825 1.00 0.00 H ATOM 1781 H GLN A 175 21.252 84.730 59.174 1.00 0.00 H ATOM 1782 N THR A 176 18.924 84.063 56.957 1.00 30.09 N ATOM 1783 CA THR A 176 17.621 83.762 56.377 1.00 28.63 C ATOM 1784 C THR A 176 16.734 85.003 56.356 1.00 26.00 C ATOM 1785 O THR A 176 16.052 85.273 55.363 1.00 26.92 O ATOM 1786 CB THR A 176 16.937 82.641 57.163 1.00 27.48 C ATOM 1787 OG1 THR A 176 17.762 81.473 57.151 1.00 29.04 O ATOM 1788 CG2 THR A 176 15.573 82.314 56.555 1.00 30.04 C ATOM 1789 HG1 THR A 176 17.316 80.750 57.660 1.00 0.00 H ATOM 1790 H THR A 176 19.225 83.587 57.831 1.00 0.00 H ATOM 1791 N GLN A 177 16.722 85.764 57.453 1.00 26.84 N ATOM 1792 CA GLN A 177 15.897 86.964 57.505 1.00 27.76 C ATOM 1793 C GLN A 177 16.310 87.960 56.428 1.00 27.36 C ATOM 1794 O GLN A 177 15.454 88.614 55.819 1.00 26.62 O ATOM 1795 CB GLN A 177 15.980 87.592 58.895 1.00 28.45 C ATOM 1796 CG GLN A 177 15.282 86.770 59.975 1.00 26.93 C ATOM 1797 CD GLN A 177 15.474 87.347 61.363 1.00 36.61 C ATOM 1798 OE1 GLN A 177 16.020 88.437 61.524 1.00 43.75 O ATOM 1799 NE2 GLN A 177 15.031 86.612 62.375 1.00 41.42 N ATOM 1800 HE22 GLN A 177 14.575 85.695 62.192 1.00 0.00 H ATOM 1801 HE21 GLN A 177 15.140 86.952 63.352 1.00 0.00 H ATOM 1802 H GLN A 177 17.304 85.499 58.273 1.00 0.00 H ATOM 1803 N GLN A 178 17.617 88.076 56.164 1.00 29.22 N ATOM 1804 CA GLN A 178 18.083 88.967 55.107 1.00 29.58 C ATOM 1805 C GLN A 178 17.480 88.584 53.758 1.00 27.94 C ATOM 1806 O GLN A 178 17.146 89.457 52.949 1.00 31.84 O ATOM 1807 CB GLN A 178 19.610 88.948 55.035 1.00 35.33 C ATOM 1808 CG GLN A 178 20.296 89.632 56.206 1.00 49.16 C ATOM 1809 CD GLN A 178 21.810 89.605 56.098 1.00 58.98 C ATOM 1810 OE1 GLN A 178 22.378 88.822 55.336 1.00 59.41 O ATOM 1811 NE2 GLN A 178 22.472 90.466 56.862 1.00 63.74 N ATOM 1812 HE22 GLN A 178 21.951 91.110 57.491 1.00 0.00 H ATOM 1813 HE21 GLN A 178 23.511 90.497 56.831 1.00 0.00 H ATOM 1814 H GLN A 178 18.306 87.527 56.717 1.00 0.00 H ATOM 1815 N LYS A 179 17.340 87.279 53.497 1.00 26.48 N ATOM 1816 CA LYS A 179 16.728 86.837 52.249 1.00 25.34 C ATOM 1817 C LYS A 179 15.290 87.325 52.136 1.00 25.27 C ATOM 1818 O LYS A 179 14.861 87.787 51.068 1.00 25.42 O ATOM 1819 CB LYS A 179 16.770 85.311 52.160 1.00 25.11 C ATOM 1820 CG LYS A 179 18.165 84.717 52.178 1.00 27.05 C ATOM 1821 CD LYS A 179 18.106 83.196 52.138 1.00 31.98 C ATOM 1822 CE LYS A 179 19.491 82.575 52.241 1.00 34.74 C ATOM 1823 NZ LYS A 179 19.455 81.104 51.997 1.00 38.48 N ATOM 1824 HZ1 LYS A 179 18.839 80.652 52.703 1.00 0.00 H ATOM 1825 HZ2 LYS A 179 19.084 80.921 51.043 1.00 0.00 H ATOM 1826 HZ3 LYS A 179 20.417 80.717 52.076 1.00 0.00 H ATOM 1827 H LYS A 179 17.670 86.576 54.188 1.00 0.00 H ATOM 1828 N PHE A 180 14.523 87.215 53.220 1.00 23.23 N ATOM 1829 CA PHE A 180 13.137 87.654 53.191 1.00 22.42 C ATOM 1830 C PHE A 180 13.036 89.152 52.943 1.00 23.64 C ATOM 1831 O PHE A 180 12.165 89.604 52.192 1.00 24.96 O ATOM 1832 CB PHE A 180 12.445 87.286 54.501 1.00 23.02 C ATOM 1833 CG PHE A 180 11.976 85.863 54.562 1.00 24.89 C ATOM 1834 CD1 PHE A 180 10.824 85.475 53.898 1.00 25.81 C ATOM 1835 CD2 PHE A 180 12.679 84.916 55.286 1.00 23.92 C ATOM 1836 CE1 PHE A 180 10.377 84.167 53.954 1.00 25.19 C ATOM 1837 CE2 PHE A 180 12.241 83.607 55.345 1.00 25.67 C ATOM 1838 CZ PHE A 180 11.088 83.232 54.681 1.00 24.74 C ATOM 1839 H PHE A 180 14.919 86.812 54.093 1.00 0.00 H ATOM 1840 N ARG A 181 13.904 89.943 53.580 1.00 25.54 N ATOM 1841 CA ARG A 181 13.827 91.390 53.400 1.00 26.66 C ATOM 1842 C ARG A 181 14.273 91.792 52.000 1.00 28.23 C ATOM 1843 O ARG A 181 13.724 92.739 51.429 1.00 30.28 O ATOM 1844 CB ARG A 181 14.651 92.095 54.479 1.00 27.99 C ATOM 1845 CG ARG A 181 14.244 91.685 55.899 1.00 32.19 C ATOM 1846 CD ARG A 181 14.672 92.702 56.950 1.00 37.04 C ATOM 1847 NE ARG A 181 13.796 93.873 56.967 1.00 37.73 N ATOM 1848 CZ ARG A 181 14.032 94.975 57.670 1.00 40.05 C ATOM 1849 NH1 ARG A 181 15.124 95.068 58.418 1.00 38.82 N ATOM 1850 NH2 ARG A 181 13.178 95.987 57.622 1.00 44.56 N ATOM 1851 HE ARG A 181 12.931 93.841 56.390 1.00 0.00 H ATOM 1852 HH12 ARG A 181 15.306 95.932 58.967 1.00 0.00 H ATOM 1853 HH11 ARG A 181 15.798 94.277 58.455 1.00 0.00 H ATOM 1854 HH22 ARG A 181 13.363 96.850 58.172 1.00 0.00 H ATOM 1855 HH21 ARG A 181 12.323 95.918 57.034 1.00 0.00 H ATOM 1856 H ARG A 181 14.630 89.531 54.200 1.00 0.00 H ATOM 1857 N TYR A 182 15.236 91.068 51.420 1.00 28.39 N ATOM 1858 CA TYR A 182 15.602 91.299 50.024 1.00 28.77 C ATOM 1859 C TYR A 182 14.454 90.935 49.093 1.00 27.98 C ATOM 1860 O TYR A 182 14.156 91.676 48.148 1.00 29.05 O ATOM 1861 CB TYR A 182 16.852 90.490 49.676 1.00 28.19 C ATOM 1862 CG TYR A 182 17.276 90.548 48.220 1.00 30.77 C ATOM 1863 CD1 TYR A 182 17.696 91.739 47.644 1.00 30.98 C ATOM 1864 CD2 TYR A 182 17.277 89.404 47.431 1.00 30.28 C ATOM 1865 CE1 TYR A 182 18.093 91.794 46.318 1.00 32.47 C ATOM 1866 CE2 TYR A 182 17.674 89.449 46.103 1.00 30.35 C ATOM 1867 CZ TYR A 182 18.081 90.646 45.554 1.00 32.56 C ATOM 1868 OH TYR A 182 18.478 90.694 44.237 1.00 37.16 O ATOM 1869 HH TYR A 182 18.736 91.621 44.005 1.00 0.00 H ATOM 1870 H TYR A 182 15.729 90.334 51.967 1.00 0.00 H ATOM 1871 N ALA A 183 13.796 89.803 49.347 1.00 24.98 N ATOM 1872 CA ALA A 183 12.656 89.414 48.527 1.00 22.93 C ATOM 1873 C ALA A 183 11.573 90.485 48.548 1.00 24.84 C ATOM 1874 O ALA A 183 10.981 90.799 47.508 1.00 28.12 O ATOM 1875 CB ALA A 183 12.099 88.075 49.009 1.00 23.84 C ATOM 1876 H ALA A 183 14.098 89.195 50.135 1.00 0.00 H HETATM 1877 N MSE A 184 11.304 91.062 49.717 1.00 27.28 N HETATM 1878 CA MSE A 184 10.303 92.122 49.839 1.00 35.14 C HETATM 1879 C MSE A 184 10.655 93.294 48.935 1.00 28.77 C HETATM 1880 O MSE A 184 9.793 93.849 48.258 1.00 30.68 O HETATM 1881 CB MSE A 184 10.191 92.601 51.287 1.00 61.57 C HETATM 1882 CG MSE A 184 9.176 93.723 51.522 1.00 91.31 C HETATM 1883 SE MSE A 184 7.289 93.199 51.440 1.00121.85 S HETATM 1884 CE MSE A 184 7.489 91.266 51.354 1.00135.07 C HETATM 1885 H MSE A 184 11.819 90.751 50.566 1.00 0.00 H ATOM 1886 N GLU A 185 11.933 93.674 48.946 1.00 29.16 N ATOM 1887 CA GLU A 185 12.368 94.811 48.143 1.00 30.90 C ATOM 1888 C GLU A 185 12.165 94.559 46.657 1.00 30.44 C ATOM 1889 O GLU A 185 11.930 95.501 45.892 1.00 34.69 O ATOM 1890 CB GLU A 185 13.841 95.118 48.416 1.00 33.60 C ATOM 1891 CG GLU A 185 14.130 95.601 49.820 1.00 38.78 C ATOM 1892 CD GLU A 185 15.587 95.978 50.010 1.00 50.82 C ATOM 1893 OE1 GLU A 185 16.348 95.938 49.017 1.00 55.92 O ATOM 1894 OE2 GLU A 185 15.973 96.312 51.150 1.00 55.56 O ATOM 1895 H GLU A 185 12.622 93.158 49.529 1.00 0.00 H ATOM 1896 N GLN A 186 12.240 93.299 46.231 1.00 29.36 N ATOM 1897 CA GLN A 186 12.291 92.966 44.817 1.00 29.47 C ATOM 1898 C GLN A 186 10.998 92.398 44.258 1.00 26.36 C ATOM 1899 O GLN A 186 10.864 92.307 43.030 1.00 30.09 O ATOM 1900 CB GLN A 186 13.429 91.960 44.564 1.00 33.31 C ATOM 1901 CG GLN A 186 14.807 92.488 44.943 1.00 36.08 C ATOM 1902 CD GLN A 186 15.154 93.769 44.207 1.00 38.22 C ATOM 1903 OE1 GLN A 186 15.052 93.842 42.984 1.00 38.86 O ATOM 1904 NE2 GLN A 186 15.552 94.794 44.955 1.00 43.66 N ATOM 1905 HE22 GLN A 186 15.624 94.688 45.987 1.00 0.00 H ATOM 1906 HE21 GLN A 186 15.791 95.702 44.508 1.00 0.00 H ATOM 1907 H GLN A 186 12.263 92.530 46.931 1.00 0.00 H ATOM 1908 N GLU A 187 10.042 92.031 45.105 1.00 26.01 N ATOM 1909 CA GLU A 187 8.835 91.327 44.666 1.00 23.07 C ATOM 1910 C GLU A 187 7.596 92.074 45.100 1.00 22.72 C ATOM 1911 O GLU A 187 7.149 91.939 46.261 1.00 23.06 O ATOM 1912 CB GLU A 187 8.831 89.899 45.226 1.00 23.40 C ATOM 1913 CG GLU A 187 10.022 89.069 44.794 1.00 25.02 C ATOM 1914 CD GLU A 187 9.940 88.637 43.342 1.00 22.76 C ATOM 1915 OE1 GLU A 187 8.831 88.704 42.770 1.00 26.40 O ATOM 1916 OE2 GLU A 187 10.972 88.222 42.787 1.00 27.74 O ATOM 1917 H GLU A 187 10.155 92.251 46.115 1.00 0.00 H ATOM 1918 N PRO A 188 6.984 92.880 44.230 1.00 24.71 N ATOM 1919 CA PRO A 188 5.801 93.646 44.639 1.00 25.16 C ATOM 1920 C PRO A 188 4.660 92.790 45.161 1.00 24.40 C ATOM 1921 O PRO A 188 3.883 93.261 45.998 1.00 23.09 O ATOM 1922 CB PRO A 188 5.405 94.388 43.353 1.00 26.66 C ATOM 1923 CG PRO A 188 6.688 94.541 42.607 1.00 30.86 C ATOM 1924 CD PRO A 188 7.467 93.275 42.889 1.00 27.07 C ATOM 1925 N HIS A 189 4.527 91.543 44.699 1.00 21.21 N ATOM 1926 CA HIS A 189 3.398 90.738 45.143 1.00 19.35 C ATOM 1927 C HIS A 189 3.489 90.417 46.629 1.00 20.33 C ATOM 1928 O HIS A 189 2.464 90.197 47.282 1.00 19.06 O ATOM 1929 CB HIS A 189 3.306 89.436 44.342 1.00 21.87 C ATOM 1930 CG HIS A 189 2.169 88.563 44.769 1.00 23.07 C ATOM 1931 ND1 HIS A 189 0.853 88.868 44.487 1.00 24.64 N ATOM 1932 CD2 HIS A 189 2.144 87.415 45.492 1.00 22.54 C ATOM 1933 CE1 HIS A 189 0.068 87.939 45.007 1.00 26.40 C ATOM 1934 NE2 HIS A 189 0.826 87.050 45.624 1.00 23.19 N ATOM 1935 H HIS A 189 5.221 91.152 44.031 1.00 0.00 H ATOM 1936 N LEU A 190 4.700 90.380 47.182 1.00 20.88 N ATOM 1937 CA LEU A 190 4.840 89.963 48.571 1.00 20.10 C ATOM 1938 C LEU A 190 4.263 90.973 49.553 1.00 25.50 C ATOM 1939 O LEU A 190 4.166 90.655 50.741 1.00 31.31 O ATOM 1940 CB LEU A 190 6.312 89.704 48.894 1.00 21.87 C ATOM 1941 CG LEU A 190 6.995 88.509 48.227 1.00 23.22 C ATOM 1942 CD1 LEU A 190 8.462 88.461 48.620 1.00 24.87 C ATOM 1943 CD2 LEU A 190 6.295 87.212 48.598 1.00 24.81 C ATOM 1944 H LEU A 190 5.538 90.646 46.627 1.00 0.00 H HETATM 1945 N MSE A 191 3.877 92.164 49.104 1.00 25.29 N HETATM 1946 CA MSE A 191 3.193 93.094 49.990 1.00 38.23 C HETATM 1947 C MSE A 191 1.718 93.265 49.634 1.00 25.10 C HETATM 1948 O MSE A 191 1.052 94.175 50.125 1.00 23.40 O HETATM 1949 CB MSE A 191 3.874 94.457 49.980 1.00 73.40 C HETATM 1950 CG MSE A 191 3.587 95.252 51.239 1.00101.67 C HETATM 1951 SE MSE A 191 4.516 96.955 51.286 1.00137.83 S HETATM 1952 CE MSE A 191 3.107 98.109 50.588 1.00137.42 C HETATM 1953 H MSE A 191 4.065 92.431 48.117 1.00 0.00 H ATOM 1954 N LYS A 192 1.206 92.390 48.776 1.00 20.22 N ATOM 1955 CA LYS A 192 -0.230 92.325 48.541 1.00 18.70 C ATOM 1956 C LYS A 192 -0.900 91.597 49.704 1.00 14.73 C ATOM 1957 O LYS A 192 -0.281 90.773 50.389 1.00 17.98 O ATOM 1958 CB LYS A 192 -0.526 91.610 47.223 1.00 21.21 C ATOM 1959 CG LYS A 192 0.046 92.316 45.995 1.00 25.12 C ATOM 1960 CD LYS A 192 -0.553 93.698 45.819 1.00 34.56 C ATOM 1961 CE LYS A 192 -0.008 94.389 44.579 1.00 44.80 C ATOM 1962 NZ LYS A 192 -0.860 95.539 44.173 1.00 52.46 N ATOM 1963 HZ1 LYS A 192 -1.821 95.200 43.965 1.00 0.00 H ATOM 1964 HZ2 LYS A 192 -0.896 96.233 44.947 1.00 0.00 H ATOM 1965 HZ3 LYS A 192 -0.457 95.985 43.324 1.00 0.00 H ATOM 1966 H LYS A 192 1.839 91.742 48.265 1.00 0.00 H ATOM 1967 N GLY A 193 -2.170 91.923 49.937 1.00 18.99 N ATOM 1968 CA GLY A 193 -2.887 91.357 51.063 1.00 19.17 C ATOM 1969 C GLY A 193 -2.374 91.800 52.417 1.00 20.26 C ATOM 1970 O GLY A 193 -2.544 91.076 53.404 1.00 17.87 O ATOM 1971 H GLY A 193 -2.653 92.592 49.304 1.00 0.00 H ATOM 1972 N THR A 194 -1.750 92.982 52.489 1.00 18.20 N ATOM 1973 CA THR A 194 -1.185 93.489 53.727 1.00 17.84 C ATOM 1974 C THR A 194 -1.852 94.757 54.234 1.00 17.71 C ATOM 1975 O THR A 194 -1.629 95.124 55.401 1.00 19.37 O ATOM 1976 CB THR A 194 0.314 93.796 53.558 1.00 17.47 C ATOM 1977 OG1 THR A 194 0.479 94.882 52.638 1.00 21.00 O ATOM 1978 CG2 THR A 194 1.066 92.582 53.045 1.00 17.91 C ATOM 1979 HG1 THR A 194 0.092 94.632 51.762 1.00 0.00 H ATOM 1980 H THR A 194 -1.667 93.558 51.627 1.00 0.00 H ATOM 1981 N TRP A 195 -2.619 95.450 53.402 1.00 18.54 N ATOM 1982 CA TRP A 195 -3.197 96.748 53.749 1.00 20.73 C ATOM 1983 C TRP A 195 -2.125 97.769 54.118 1.00 22.55 C ATOM 1984 O TRP A 195 -2.423 98.801 54.735 1.00 22.45 O ATOM 1985 CB TRP A 195 -4.215 96.607 54.886 1.00 21.00 C ATOM 1986 CG TRP A 195 -5.581 96.181 54.411 1.00 20.26 C ATOM 1987 CD1 TRP A 195 -6.700 96.956 54.353 1.00 20.61 C ATOM 1988 CD2 TRP A 195 -5.966 94.885 53.924 1.00 20.67 C ATOM 1989 NE1 TRP A 195 -7.759 96.231 53.867 1.00 21.73 N ATOM 1990 CE2 TRP A 195 -7.337 94.957 53.594 1.00 22.55 C ATOM 1991 CE3 TRP A 195 -5.289 93.673 53.734 1.00 17.93 C ATOM 1992 CZ2 TRP A 195 -8.042 93.868 53.083 1.00 19.45 C ATOM 1993 CZ3 TRP A 195 -5.998 92.591 53.226 1.00 18.64 C ATOM 1994 CH2 TRP A 195 -7.355 92.698 52.910 1.00 18.56 C ATOM 1995 HE1 TRP A 195 -8.725 96.591 53.729 1.00 0.00 H ATOM 1996 H TRP A 195 -2.818 95.053 52.462 1.00 0.00 H HETATM 1997 N MSE A 196 -0.879 97.511 53.740 1.00 20.19 N HETATM 1998 CA MSE A 196 0.208 98.446 53.994 1.00 23.63 C HETATM 1999 C MSE A 196 0.360 99.444 52.857 1.00 26.39 C HETATM 2000 O MSE A 196 0.091 99.130 51.696 1.00 29.31 O HETATM 2001 CB MSE A 196 1.521 97.688 54.203 1.00 22.40 C HETATM 2002 CG MSE A 196 1.552 96.873 55.484 1.00 22.66 C HETATM 2003 SE MSE A 196 1.755 97.999 57.068 1.00 24.87 S HETATM 2004 CE MSE A 196 3.683 98.276 56.918 1.00 30.70 C HETATM 2005 H MSE A 196 -0.674 96.617 53.249 1.00 0.00 H ATOM 2006 N THR A 197 0.779 100.653 53.206 1.00 25.59 N ATOM 2007 CA THR A 197 1.107 101.691 52.248 1.00 25.54 C ATOM 2008 C THR A 197 2.591 102.021 52.354 1.00 30.75 C ATOM 2009 O THR A 197 3.253 101.693 53.344 1.00 30.10 O ATOM 2010 CB THR A 197 0.287 102.962 52.492 1.00 29.61 C ATOM 2011 OG1 THR A 197 0.670 103.536 53.747 1.00 29.94 O ATOM 2012 CG2 THR A 197 -1.200 102.643 52.517 1.00 30.31 C ATOM 2013 HG1 THR A 197 0.142 104.358 53.908 1.00 0.00 H ATOM 2014 H THR A 197 0.877 100.868 54.219 1.00 0.00 H ATOM 2015 N SER A 198 3.114 102.697 51.330 1.00 31.08 N ATOM 2016 CA SER A 198 4.512 103.109 51.373 1.00 31.71 C ATOM 2017 C SER A 198 4.772 104.021 52.564 1.00 28.85 C ATOM 2018 O SER A 198 5.822 103.931 53.209 1.00 30.02 O ATOM 2019 CB SER A 198 4.898 103.801 50.066 1.00 42.12 C ATOM 2020 OG SER A 198 4.137 104.978 49.869 1.00 51.76 O ATOM 2021 HG SER A 198 3.175 104.746 49.833 1.00 0.00 H ATOM 2022 H SER A 198 2.527 102.929 50.504 1.00 0.00 H ATOM 2023 N GLU A 199 3.818 104.903 52.877 1.00 26.96 N ATOM 2024 CA GLU A 199 3.975 105.807 54.009 1.00 31.40 C ATOM 2025 C GLU A 199 4.078 105.033 55.320 1.00 26.87 C ATOM 2026 O GLU A 199 4.960 105.301 56.146 1.00 28.75 O ATOM 2027 CB GLU A 199 2.800 106.786 54.045 1.00 43.25 C ATOM 2028 CG GLU A 199 2.869 107.812 55.156 1.00 54.83 C ATOM 2029 CD GLU A 199 1.599 108.636 55.265 1.00 62.37 C ATOM 2030 OE1 GLU A 199 0.509 108.097 54.976 1.00 61.24 O ATOM 2031 OE2 GLU A 199 1.692 109.825 55.635 1.00 66.21 O ATOM 2032 H GLU A 199 2.951 104.945 52.304 1.00 0.00 H ATOM 2033 N VAL A 200 3.180 104.067 55.532 1.00 24.35 N ATOM 2034 CA VAL A 200 3.195 103.303 56.775 1.00 22.48 C ATOM 2035 C VAL A 200 4.406 102.380 56.817 1.00 21.54 C ATOM 2036 O VAL A 200 5.012 102.177 57.876 1.00 21.14 O ATOM 2037 CB VAL A 200 1.881 102.519 56.939 1.00 22.77 C ATOM 2038 CG1 VAL A 200 1.937 101.630 58.170 1.00 20.78 C ATOM 2039 CG2 VAL A 200 0.701 103.475 57.034 1.00 24.10 C ATOM 2040 H VAL A 200 2.465 103.858 54.806 1.00 0.00 H ATOM 2041 N LEU A 201 4.775 101.801 55.671 1.00 22.82 N ATOM 2042 CA LEU A 201 5.978 100.977 55.624 1.00 24.05 C ATOM 2043 C LEU A 201 7.205 101.794 56.006 1.00 26.55 C ATOM 2044 O LEU A 201 8.086 101.309 56.725 1.00 27.01 O ATOM 2045 CB LEU A 201 6.150 100.372 54.232 1.00 26.68 C ATOM 2046 CG LEU A 201 7.318 99.395 54.086 1.00 29.24 C ATOM 2047 CD1 LEU A 201 7.076 98.139 54.911 1.00 27.29 C ATOM 2048 CD2 LEU A 201 7.550 99.042 52.627 1.00 33.94 C ATOM 2049 H LEU A 201 4.205 101.938 54.812 1.00 0.00 H ATOM 2050 N SER A 202 7.282 103.043 55.531 1.00 26.58 N ATOM 2051 CA SER A 202 8.407 103.901 55.877 1.00 27.14 C ATOM 2052 C SER A 202 8.450 104.172 57.376 1.00 26.68 C ATOM 2053 O SER A 202 9.521 104.144 57.991 1.00 28.01 O ATOM 2054 CB SER A 202 8.322 105.210 55.091 1.00 28.66 C ATOM 2055 OG SER A 202 9.391 106.076 55.423 1.00 31.90 O ATOM 2056 HG SER A 202 9.357 106.285 56.390 1.00 0.00 H ATOM 2057 H SER A 202 6.531 103.404 54.909 1.00 0.00 H ATOM 2058 N TRP A 203 7.290 104.437 57.981 1.00 24.98 N ATOM 2059 CA TRP A 203 7.246 104.639 59.425 1.00 23.88 C ATOM 2060 C TRP A 203 7.724 103.389 60.154 1.00 24.57 C ATOM 2061 O TRP A 203 8.552 103.463 61.070 1.00 26.25 O ATOM 2062 CB TRP A 203 5.826 105.003 59.863 1.00 23.14 C ATOM 2063 CG TRP A 203 5.748 105.385 61.307 1.00 22.32 C ATOM 2064 CD1 TRP A 203 5.751 106.650 61.819 1.00 25.52 C ATOM 2065 CD2 TRP A 203 5.677 104.496 62.431 1.00 22.55 C ATOM 2066 NE1 TRP A 203 5.679 106.604 63.192 1.00 28.11 N ATOM 2067 CE2 TRP A 203 5.636 105.296 63.592 1.00 26.30 C ATOM 2068 CE3 TRP A 203 5.641 103.105 62.567 1.00 24.76 C ATOM 2069 CZ2 TRP A 203 5.560 104.748 64.872 1.00 27.73 C ATOM 2070 CZ3 TRP A 203 5.570 102.564 63.840 1.00 27.69 C ATOM 2071 CH2 TRP A 203 5.528 103.385 64.975 1.00 29.49 C ATOM 2072 HE1 TRP A 203 5.660 107.430 63.824 1.00 0.00 H ATOM 2073 H TRP A 203 6.416 104.500 57.422 1.00 0.00 H ATOM 2074 N LEU A 204 7.201 102.225 59.760 1.00 21.85 N ATOM 2075 CA LEU A 204 7.597 100.972 60.389 1.00 22.57 C ATOM 2076 C LEU A 204 9.098 100.751 60.278 1.00 24.37 C ATOM 2077 O LEU A 204 9.758 100.376 61.252 1.00 24.56 O ATOM 2078 CB LEU A 204 6.841 99.810 59.748 1.00 24.22 C ATOM 2079 CG LEU A 204 7.327 98.400 60.093 1.00 22.73 C ATOM 2080 CD1 LEU A 204 7.110 98.102 61.561 1.00 21.67 C ATOM 2081 CD2 LEU A 204 6.624 97.370 59.216 1.00 22.05 C ATOM 2082 H LEU A 204 6.500 102.213 58.992 1.00 0.00 H ATOM 2083 N GLN A 205 9.657 100.957 59.086 1.00 25.65 N ATOM 2084 CA GLN A 205 11.073 100.678 58.889 1.00 28.43 C ATOM 2085 C GLN A 205 11.954 101.659 59.645 1.00 29.51 C ATOM 2086 O GLN A 205 13.096 101.317 59.970 1.00 31.25 O ATOM 2087 CB GLN A 205 11.384 100.665 57.390 1.00 33.01 C ATOM 2088 CG GLN A 205 10.850 99.400 56.710 1.00 37.76 C ATOM 2089 CD GLN A 205 11.080 99.372 55.215 1.00 45.96 C ATOM 2090 OE1 GLN A 205 11.281 100.408 54.585 1.00 45.78 O ATOM 2091 NE2 GLN A 205 11.047 98.176 54.635 1.00 47.47 N ATOM 2092 HE22 GLN A 205 10.874 97.325 55.207 1.00 0.00 H ATOM 2093 HE21 GLN A 205 11.195 98.091 53.609 1.00 0.00 H ATOM 2094 H GLN A 205 9.083 101.317 58.297 1.00 0.00 H ATOM 2095 N GLN A 206 11.449 102.858 59.953 1.00 30.98 N ATOM 2096 CA GLN A 206 12.154 103.737 60.879 1.00 32.35 C ATOM 2097 C GLN A 206 12.154 103.150 62.285 1.00 30.26 C ATOM 2098 O GLN A 206 13.189 103.122 62.961 1.00 31.68 O ATOM 2099 CB GLN A 206 11.513 105.124 60.891 1.00 34.58 C ATOM 2100 CG GLN A 206 11.775 105.956 59.650 1.00 42.99 C ATOM 2101 CD GLN A 206 11.240 107.367 59.790 1.00 46.63 C ATOM 2102 OE1 GLN A 206 11.993 108.337 59.755 1.00 53.25 O ATOM 2103 NE2 GLN A 206 9.925 107.487 59.938 1.00 43.88 N ATOM 2104 HE22 GLN A 206 9.325 106.638 59.962 1.00 0.00 H ATOM 2105 HE21 GLN A 206 9.496 108.430 60.030 1.00 0.00 H ATOM 2106 H GLN A 206 10.550 103.165 59.531 1.00 0.00 H ATOM 2107 N ALA A 207 10.989 102.685 62.744 1.00 26.81 N ATOM 2108 CA ALA A 207 10.900 102.069 64.063 1.00 27.73 C ATOM 2109 C ALA A 207 11.772 100.824 64.146 1.00 29.37 C ATOM 2110 O ALA A 207 12.438 100.591 65.164 1.00 28.85 O ATOM 2111 CB ALA A 207 9.444 101.726 64.382 1.00 24.59 C ATOM 2112 H ALA A 207 10.136 102.763 62.154 1.00 0.00 H ATOM 2113 N ILE A 208 11.781 100.009 63.088 1.00 27.25 N ATOM 2114 CA ILE A 208 12.664 98.845 63.063 1.00 27.28 C ATOM 2115 C ILE A 208 14.119 99.289 63.142 1.00 32.11 C ATOM 2116 O ILE A 208 14.932 98.688 63.857 1.00 34.28 O ATOM 2117 CB ILE A 208 12.399 97.997 61.802 1.00 27.49 C ATOM 2118 CG1 ILE A 208 11.000 97.382 61.848 1.00 26.40 C ATOM 2119 CG2 ILE A 208 13.466 96.919 61.657 1.00 30.49 C ATOM 2120 CD1 ILE A 208 10.544 96.775 60.524 1.00 25.80 C ATOM 2121 H ILE A 208 11.157 100.204 62.279 1.00 0.00 H ATOM 2122 N GLY A 209 14.471 100.352 62.415 1.00 33.39 N ATOM 2123 CA GLY A 209 15.842 100.831 62.438 1.00 37.04 C ATOM 2124 C GLY A 209 16.305 101.210 63.829 1.00 37.47 C ATOM 2125 O GLY A 209 17.420 100.876 64.238 1.00 43.41 O ATOM 2126 H GLY A 209 13.762 100.838 61.831 1.00 0.00 H ATOM 2127 N VAL A 210 15.455 101.912 64.580 1.00 34.24 N ATOM 2128 CA VAL A 210 15.788 102.257 65.957 1.00 36.77 C ATOM 2129 C VAL A 210 16.017 100.991 66.774 1.00 36.26 C ATOM 2130 O VAL A 210 16.986 100.882 67.534 1.00 37.52 O ATOM 2131 CB VAL A 210 14.678 103.129 66.572 1.00 36.89 C ATOM 2132 CG1 VAL A 210 14.861 103.238 68.078 1.00 38.24 C ATOM 2133 CG2 VAL A 210 14.665 104.506 65.930 1.00 37.36 C ATOM 2134 H VAL A 210 14.545 102.217 64.179 1.00 0.00 H HETATM 2135 N MSE A 211 15.129 100.015 66.622 1.00 32.84 N HETATM 2136 CA MSE A 211 15.210 98.773 67.379 1.00 35.29 C HETATM 2137 C MSE A 211 16.495 98.003 67.094 1.00 42.18 C HETATM 2138 O MSE A 211 17.151 97.532 68.022 1.00 39.90 O HETATM 2139 CB MSE A 211 13.994 97.897 67.063 1.00 31.83 C HETATM 2140 CG MSE A 211 13.979 96.553 67.767 1.00 32.48 C HETATM 2141 SE MSE A 211 12.453 95.472 67.216 1.00 32.54 S HETATM 2142 CE MSE A 211 12.898 95.208 65.336 1.00 33.48 C HETATM 2143 H MSE A 211 14.352 100.141 65.942 1.00 0.00 H HETATM 2144 N MSE A 212 16.850 97.862 65.820 1.00 52.64 N HETATM 2145 CA MSE A 212 18.058 97.125 65.452 1.00 63.81 C HETATM 2146 C MSE A 212 19.309 97.921 65.831 1.00 63.56 C HETATM 2147 O MSE A 212 20.407 97.369 65.891 1.00 67.40 O HETATM 2148 CB MSE A 212 18.094 96.813 63.953 1.00 73.06 C HETATM 2149 CG MSE A 212 16.972 95.912 63.438 1.00 81.23 C HETATM 2150 SE MSE A 212 16.969 94.043 64.036 1.00 93.78 S HETATM 2151 CE MSE A 212 16.670 94.242 65.958 1.00 98.32 C HETATM 2152 H MSE A 212 16.259 98.282 65.074 1.00 0.00 H TER 2153 MSE A 212 HETATM 2154 O HOH 1 -11.707 97.740 43.276 1.00 51.80 O HETATM 2155 O HOH 2 -6.637 102.164 59.470 1.00 44.76 O HETATM 2156 O HOH 3 -2.686 91.613 43.384 1.00 34.06 O HETATM 2157 O HOH 4 3.972 88.939 51.834 1.00 42.14 O HETATM 2158 O HOH 5 -17.526 104.452 49.801 1.00 40.43 O HETATM 2159 O HOH 6 9.647 107.471 57.785 1.00 56.31 O HETATM 2160 O HOH 7 1.437 77.274 60.556 1.00 41.62 O HETATM 2161 O HOH 8 15.050 91.891 41.906 1.00 49.23 O HETATM 2162 O HOH 9 -16.188 85.029 37.033 1.00 39.58 O HETATM 2163 O HOH 10 -14.338 85.886 39.181 1.00 42.35 O HETATM 2164 O HOH 11 -20.083 103.814 51.761 1.00 39.44 O HETATM 2165 O HOH 12 8.518 72.864 58.463 1.00 30.90 O HETATM 2166 O HOH 13 -12.661 89.680 39.817 1.00 33.02 O HETATM 2167 O HOH 14 -18.501 74.629 55.863 1.00 43.18 O HETATM 2168 O HOH 15 3.363 73.225 62.586 1.00 32.82 O HETATM 2169 O HOH 16 2.648 77.531 45.952 1.00 34.27 O HETATM 2170 O HOH 17 7.446 95.249 73.606 1.00 38.00 O HETATM 2171 O HOH 18 7.108 93.778 47.996 1.00 28.02 O HETATM 2172 O HOH 19 -4.893 93.189 49.430 1.00 28.07 O HETATM 2173 O HOH 20 -4.148 100.717 53.035 1.00 33.34 O HETATM 2174 O HOH 21 -14.251 105.077 50.820 1.00 38.06 O HETATM 2175 O HOH 22 3.168 95.714 46.274 1.00 36.33 O HETATM 2176 O HOH 23 0.946 75.271 59.289 1.00 36.27 O HETATM 2177 O HOH 24 -11.662 101.510 47.304 1.00 42.04 O HETATM 2178 O HOH 25 -24.515 102.113 62.453 1.00 43.76 O HETATM 2179 O HOH 26 2.409 83.547 43.069 1.00 24.44 O HETATM 2180 O HOH 27 -3.817 95.757 68.486 1.00 38.83 O HETATM 2181 O HOH 28 -17.104 113.553 58.679 1.00 49.64 O HETATM 2182 O HOH 29 -2.392 84.000 53.451 1.00 19.48 O HETATM 2183 O HOH 30 5.467 80.804 65.288 1.00 25.07 O HETATM 2184 O HOH 31 -11.859 74.913 57.494 1.00 23.30 O HETATM 2185 O HOH 32 -1.949 94.980 50.336 1.00 29.52 O HETATM 2186 O HOH 33 -26.071 87.960 38.748 1.00 45.72 O HETATM 2187 O HOH 34 -21.910 94.685 50.332 1.00 42.56 O HETATM 2188 O HOH 35 -3.057 94.410 43.204 1.00 41.32 O HETATM 2189 O HOH 36 -0.769 105.658 54.431 1.00 29.18 O HETATM 2190 O HOH 37 -14.807 69.067 48.648 1.00 40.31 O HETATM 2191 O HOH 38 -17.751 76.691 52.008 1.00 29.79 O HETATM 2192 O HOH 39 -13.486 85.794 62.264 1.00 36.68 O HETATM 2193 O HOH 40 0.083 73.127 41.769 1.00 40.87 O HETATM 2194 O HOH 41 -7.705 67.947 47.205 1.00 33.17 O HETATM 2195 O HOH 42 -15.373 89.696 37.410 1.00 36.44 O HETATM 2196 O HOH 43 -16.592 96.066 67.083 1.00 44.24 O HETATM 2197 O HOH 44 9.690 73.801 62.766 1.00 33.40 O HETATM 2198 O HOH 45 0.567 87.328 53.315 1.00 22.43 O HETATM 2199 O HOH 46 12.600 94.865 53.226 1.00 38.24 O HETATM 2200 O HOH 47 8.043 86.441 41.556 1.00 26.36 O HETATM 2201 O HOH 48 16.901 79.602 58.880 1.00 28.88 O HETATM 2202 O HOH 49 -8.691 81.514 39.089 1.00 24.19 O HETATM 2203 O HOH 50 -5.586 101.222 66.088 1.00 48.18 O HETATM 2204 O HOH 51 -26.709 99.394 38.149 1.00 45.99 O HETATM 2205 O HOH 52 -20.091 72.549 42.375 1.00 53.66 O HETATM 2206 O HOH 53 -5.657 90.794 63.612 1.00 26.35 O HETATM 2207 O HOH 54 -9.379 105.001 52.752 1.00 42.03 O HETATM 2208 O HOH 55 15.279 104.581 62.008 1.00 36.41 O HETATM 2209 O HOH 56 13.264 111.088 68.431 1.00 49.24 O HETATM 2210 O HOH 57 5.905 107.761 56.838 1.00 32.47 O HETATM 2211 O HOH 58 9.925 91.243 69.390 1.00 31.66 O HETATM 2212 O HOH 59 7.981 84.966 67.088 1.00 25.40 O HETATM 2213 O HOH 60 -2.334 79.694 64.608 1.00 21.13 O HETATM 2214 O HOH 61 12.138 97.290 52.293 1.00 52.56 O HETATM 2215 O HOH 62 -1.277 91.896 66.467 1.00 22.48 O HETATM 2216 O HOH 63 3.358 83.126 61.625 1.00 16.82 O HETATM 2217 O HOH 64 2.464 73.599 47.347 1.00 39.19 O HETATM 2218 O HOH 65 -0.640 74.505 51.780 1.00 27.20 O HETATM 2219 O HOH 66 13.090 73.264 57.768 1.00 34.90 O HETATM 2220 O HOH 67 16.078 78.380 45.890 1.00 53.24 O HETATM 2221 O HOH 68 -5.450 86.799 40.055 1.00 26.78 O HETATM 2222 O HOH 69 3.414 75.459 63.639 1.00 25.46 O HETATM 2223 O HOH 70 8.025 106.202 51.281 1.00 52.38 O HETATM 2224 O HOH 71 0.056 90.763 42.643 1.00 29.70 O HETATM 2225 O HOH 72 -12.276 76.763 37.372 1.00 38.76 O HETATM 2226 O HOH 73 -5.849 102.427 62.010 1.00 30.60 O HETATM 2227 O HOH 74 -8.194 67.116 43.660 1.00 44.77 O HETATM 2228 O HOH 75 -6.705 96.426 45.925 1.00 33.61 O HETATM 2229 O HOH 76 3.404 87.932 54.225 1.00 22.88 O HETATM 2230 O HOH 77 -20.273 77.737 58.915 1.00 40.99 O HETATM 2231 O HOH 78 -2.778 90.594 39.900 1.00 48.34 O HETATM 2232 O HOH 79 -9.088 76.038 60.171 1.00 24.71 O HETATM 2233 O HOH 80 9.580 88.538 52.274 1.00 26.09 O HETATM 2234 O HOH 81 10.501 81.507 64.902 1.00 29.15 O HETATM 2235 O HOH 82 -15.844 95.065 41.375 1.00 36.75 O HETATM 2236 O HOH 83 -5.980 78.041 55.918 1.00 23.61 O HETATM 2237 O HOH 84 -9.920 71.677 48.562 1.00 37.92 O HETATM 2238 O HOH 85 -0.829 102.912 67.239 1.00 27.16 O HETATM 2239 O HOH 86 15.439 81.787 60.135 1.00 28.15 O HETATM 2240 O HOH 87 8.008 80.067 64.428 1.00 26.71 O HETATM 2241 O HOH 88 -4.287 94.059 57.343 1.00 25.35 O HETATM 2242 O HOH 89 3.627 85.731 60.833 1.00 22.42 O HETATM 2243 O HOH 90 6.276 89.890 42.984 1.00 24.28 O HETATM 2244 O HOH 91 12.744 109.180 65.562 1.00 49.51 O HETATM 2245 O HOH 92 -0.618 87.673 71.172 1.00 33.90 O HETATM 2246 O HOH 93 -1.605 106.269 58.362 1.00 35.89 O HETATM 2247 O HOH 94 -12.110 97.143 63.855 1.00 31.73 O HETATM 2248 O HOH 95 -0.833 85.346 42.141 1.00 38.74 O HETATM 2249 O HOH 96 -8.224 81.502 57.499 1.00 28.35 O HETATM 2250 O HOH 97 -7.564 88.269 61.828 1.00 37.55 O HETATM 2251 O HOH 98 -2.866 105.374 56.419 1.00 37.97 O HETATM 2252 O HOH 99 -19.607 83.011 59.840 1.00 40.70 O HETATM 2253 O HOH 100 11.936 104.489 56.531 1.00 47.81 O HETATM 2254 O HOH 101 13.463 76.513 47.889 1.00 41.20 O HETATM 2255 O HOH 102 -20.444 77.385 43.053 1.00 39.36 O HETATM 2256 O HOH 103 1.154 74.891 56.201 1.00 29.37 O HETATM 2257 O HOH 104 8.011 102.886 51.696 1.00 38.25 O HETATM 2258 O HOH 105 -5.676 96.981 65.980 1.00 33.27 O HETATM 2259 O HOH 106 -20.845 79.011 49.806 1.00 44.32 O HETATM 2260 O HOH 107 2.723 85.046 58.054 1.00 23.67 O HETATM 2261 O HOH 108 1.701 98.007 70.383 1.00 32.31 O HETATM 2262 O HOH 109 10.941 72.740 51.037 1.00 31.31 O HETATM 2263 O HOH 110 -8.135 84.898 53.278 1.00 26.35 O HETATM 2264 O HOH 111 -3.474 90.390 45.728 1.00 25.28 O HETATM 2265 O HOH 112 -28.667 92.789 39.374 1.00 49.87 O HETATM 2266 O HOH 113 -10.745 75.043 53.025 1.00 24.88 O HETATM 2267 O HOH 114 4.114 110.027 60.683 1.00 38.58 O HETATM 2268 O HOH 115 -17.017 107.001 63.462 1.00 45.62 O HETATM 2269 O HOH 116 -1.871 88.329 54.093 1.00 20.23 O HETATM 2270 O HOH 117 10.525 94.716 41.431 1.00 36.93 O HETATM 2271 O HOH 118 -3.844 86.236 54.247 1.00 21.18 O HETATM 2272 O HOH 119 1.747 106.060 51.187 1.00 36.67 O HETATM 2273 O HOH 120 1.056 91.648 67.910 1.00 24.28 O HETATM 2274 O HOH 121 -8.730 90.568 62.067 1.00 25.44 O HETATM 2275 O HOH 122 21.527 84.264 63.206 1.00 38.06 O HETATM 2276 O HOH 123 3.505 90.488 67.712 1.00 19.32 O HETATM 2277 O HOH 124 6.680 77.016 46.952 1.00 27.65 O HETATM 2278 O HOH 125 19.063 80.859 49.090 1.00 37.95 O HETATM 2279 O HOH 126 -2.009 81.339 39.074 1.00 19.82 O HETATM 2280 O HOH 127 5.670 94.663 71.780 1.00 30.86 O HETATM 2281 O HOH 128 -21.887 107.804 62.821 1.00 36.75 O HETATM 2282 O HOH 129 12.740 80.174 57.055 1.00 22.61 O HETATM 2283 O HOH 130 6.155 110.060 62.721 1.00 39.58 O HETATM 2284 O HOH 131 -3.709 80.844 60.328 1.00 44.58 O HETATM 2285 O HOH 132 -23.329 85.171 38.102 1.00 45.11 O HETATM 2286 O HOH 133 21.497 80.559 57.441 1.00 50.57 O HETATM 2287 O HOH 134 18.727 91.988 53.021 1.00 43.96 O HETATM 2288 O HOH 135 -0.124 105.404 67.924 1.00 33.88 O HETATM 2289 O HOH 136 -12.315 81.435 58.612 1.00 24.60 O HETATM 2290 O HOH 137 8.399 109.654 61.369 1.00 49.81 O HETATM 2291 O HOH 138 5.278 77.084 66.502 1.00 28.36 O HETATM 2292 O HOH 139 -16.618 102.072 65.035 1.00 44.58 O HETATM 2293 O HOH 140 -0.307 74.397 57.283 1.00 38.13 O HETATM 2294 O HOH 141 -18.544 68.016 46.200 1.00 39.82 O HETATM 2295 O HOH 142 18.177 73.891 48.981 1.00 49.70 O HETATM 2296 O HOH 143 -6.072 103.559 57.265 1.00 50.79 O HETATM 2297 O HOH 144 -13.577 97.447 44.082 1.00 51.56 O HETATM 2298 O HOH 145 14.357 98.922 58.596 1.00 48.14 O HETATM 2299 O HOH 146 -12.068 65.819 42.206 1.00 62.17 O HETATM 2300 O HOH 147 15.255 94.704 71.937 1.00 47.90 O HETATM 2301 O HOH 148 14.515 79.646 63.592 1.00 32.63 O HETATM 2302 O HOH 149 17.904 85.292 48.437 1.00 35.45 O HETATM 2303 O HOH 150 -0.838 108.903 57.606 1.00 51.25 O HETATM 2304 O HOH 151 5.331 110.050 70.131 1.00 38.27 O HETATM 2305 O HOH 152 -15.107 88.219 40.182 1.00 45.77 O HETATM 2306 O HOH 153 -5.214 89.450 39.969 1.00 35.21 O HETATM 2307 O HOH 154 10.718 88.635 68.663 1.00 45.77 O HETATM 2308 O HOH 155 4.839 105.961 73.962 1.00 32.13 O HETATM 2309 O HOH 156 15.528 95.669 54.182 1.00 49.48 O HETATM 2310 O HOH 157 -3.046 90.500 67.972 1.00 36.53 O HETATM 2311 O HOH 158 -1.594 75.531 59.248 1.00 35.91 O HETATM 2312 O HOH 159 -4.273 94.721 40.855 1.00 49.85 O HETATM 2313 O HOH 160 -8.102 97.208 64.426 1.00 34.52 O HETATM 2314 O HOH 161 -23.205 106.309 64.267 1.00 42.04 O HETATM 2315 O HOH 162 -8.654 93.911 40.935 1.00 51.06 O HETATM 2316 O HOH 163 -29.642 92.812 54.118 1.00 56.71 O HETATM 2317 O HOH 164 3.041 94.384 72.916 1.00 38.20 O HETATM 2318 O HOH 165 -13.135 85.490 59.568 1.00 38.59 O HETATM 2319 O HOH 166 -3.911 92.758 47.220 1.00 33.34 O HETATM 2320 O HOH 167 -12.465 69.655 49.488 1.00 39.94 O HETATM 2321 O HOH 168 -19.817 108.619 63.602 1.00 47.97 O HETATM 2322 O HOH 169 -1.707 99.858 70.469 1.00 55.65 O HETATM 2323 O HOH 170 6.707 107.315 52.118 1.00 54.46 O HETATM 2324 O HOH 171 8.634 95.963 45.411 1.00 51.24 O HETATM 2325 O HOH 172 -10.775 85.207 59.624 1.00 27.61 O HETATM 2326 O HOH 173 -25.768 98.543 52.131 1.00 39.85 O HETATM 2327 O HOH 174 -25.667 100.454 53.806 1.00 52.55 O HETATM 2328 O HOH 175 -0.309 101.244 69.371 1.00 37.34 O HETATM 2329 O HOH 176 2.277 92.478 42.232 1.00 40.31 O HETATM 2330 O HOH 177 -16.235 97.035 42.628 1.00 49.79 O HETATM 2331 O HOH 178 -17.416 77.132 61.442 1.00 41.04 O HETATM 2332 O HOH 179 0.515 87.204 41.422 1.00 41.91 O HETATM 2333 O HOH 180 -4.172 95.324 46.237 1.00 39.15 O HETATM 2334 O HOH 181 15.433 76.056 58.382 1.00 49.63 O HETATM 2335 O HOH 182 -13.676 78.782 39.422 1.00 41.38 O HETATM 2336 O HOH 183 4.673 72.102 47.986 1.00 41.68 O HETATM 2337 O HOH 184 18.629 93.866 50.912 1.00 49.12 O HETATM 2338 O HOH 185 -10.910 74.304 34.349 1.00 42.10 O HETATM 2339 O HOH 186 6.416 91.957 71.195 1.00 34.92 O HETATM 2340 O HOH 187 -5.622 85.629 52.456 1.00 27.08 O HETATM 2341 O HOH 188 -19.614 85.937 68.767 1.00 39.32 O HETATM 2342 O HOH 189 10.848 73.197 60.001 1.00 41.77 O HETATM 2343 O HOH 190 5.544 73.364 65.682 1.00 41.61 O HETATM 2344 O HOH 191 -18.837 81.088 62.443 1.00 51.30 O HETATM 2345 O HOH 192 -4.767 76.697 35.366 1.00 31.17 O HETATM 2346 O HOH 193 1.385 72.484 52.835 1.00 46.82 O HETATM 2347 O HOH 194 -9.887 82.730 59.130 1.00 28.14 O HETATM 2348 O HOH 195 -16.101 61.123 44.132 1.00 54.38 O HETATM 2349 O HOH 196 0.571 91.309 70.374 1.00 46.82 O HETATM 2350 O HOH 197 -3.569 77.235 59.715 1.00 33.87 O HETATM 2351 O HOH 198 9.147 77.893 65.560 1.00 38.35 O HETATM 2352 O HOH 199 6.840 108.808 54.239 1.00 48.05 O HETATM 2353 O HOH 200 -7.241 101.708 64.098 1.00 47.19 O HETATM 2354 O HOH 201 -18.092 85.421 34.804 1.00 36.15 O HETATM 2355 O HOH 202 -14.653 83.168 62.087 1.00 43.76 O HETATM 2356 O HOH 203 -8.195 74.611 34.021 1.00 37.64 O HETATM 2357 O HOH 204 -13.537 71.946 51.028 1.00 30.48 O HETATM 2358 O HOH 205 1.600 72.906 60.059 1.00 34.27 O HETATM 2359 O HOH 206 -16.568 81.144 62.556 1.00 50.30 O HETATM 2360 O HOH 207 14.409 78.528 58.707 1.00 29.02 O HETATM 2361 O HOH 208 -6.904 99.184 46.344 1.00 47.26 O HETATM 2362 O HOH 209 9.430 82.853 67.102 1.00 42.84 O HETATM 2363 O HOH 210 4.246 86.018 55.896 1.00 26.01 O HETATM 2364 O HOH 211 6.472 96.363 47.240 1.00 39.10 O HETATM 2365 O HOH 212 -24.984 74.948 52.099 1.00 57.85 O HETATM 2366 O HOH 213 0.000 79.787 40.265 1.00 24.21 O HETATM 2367 O HOH 214 8.082 73.380 66.194 1.00 45.12 O HETATM 2368 O HOH 215 -5.336 78.937 58.294 1.00 52.45 O HETATM 2369 O HOH 216 -2.913 85.673 39.327 1.00 26.82 O HETATM 2370 O HOH 217 -7.786 95.000 66.301 1.00 53.33 O HETATM 2371 O HOH 218 12.397 70.774 56.929 1.00 49.51 O HETATM 2372 O HOH 219 -30.495 93.965 52.099 1.00 57.79 O HETATM 2373 O HOH 220 -0.806 70.948 56.702 1.00 33.54 O HETATM 2374 O HOH 221 14.586 78.224 61.460 1.00 37.41 O HETATM 2375 O HOH 222 12.169 74.606 64.292 1.00 48.19 O HETATM 2376 O HOH 223 -16.020 62.564 42.539 1.00 50.74 O HETATM 2377 O HOH 224 0.000 82.911 40.265 1.00 36.31 O HETATM 2378 O HOH 225 -11.238 73.404 50.726 1.00 32.31 O HETATM 2379 O HOH 226 -8.332 100.108 64.938 1.00 50.99 O HETATM 2380 C13 FWE A 227 -11.949 87.298 53.481 1.00 -0.06 C HETATM 2381 C12 FWE A 227 -13.149 87.714 52.930 1.00 -0.04 C HETATM 2382 C11 FWE A 227 -14.048 88.575 53.598 1.00 0.07 C HETATM 2383 C59 FWE A 227 -13.633 88.926 54.882 1.00 -0.04 C HETATM 2384 C58 FWE A 227 -12.434 88.503 55.426 1.00 -0.06 C HETATM 2385 C14 FWE A 227 -11.540 87.666 54.752 1.00 0.03 C HETATM 2386 C15 FWE A 227 -10.296 87.276 55.418 1.00 0.20 C HETATM 2387 N16 FWE A 227 -10.251 86.988 56.784 1.00 -0.26 N HETATM 2388 C17 FWE A 227 -9.098 86.615 57.510 1.00 0.16 C HETATM 2389 C21 FWE A 227 -8.023 87.746 57.473 1.00 0.27 C HETATM 2390 N22 FWE A 227 -6.794 87.365 56.923 1.00 -0.13 N HETATM 2391 C19 FWE A 227 -6.877 85.989 56.605 1.00 0.15 C HETATM 2392 C18 FWE A 227 -8.290 85.468 56.909 1.00 0.08 C HETATM 2393 H11 FWE A 227 -8.768 85.122 55.981 1.00 0.06 H HETATM 2394 H12 FWE A 227 -8.234 84.635 57.626 1.00 0.06 H HETATM 2395 N20 FWE A 227 -5.896 85.328 56.104 1.00 -0.39 N HETATM 2396 H32 FWE A 227 -5.009 85.782 55.949 1.00 0.06 H HETATM 2397 C23 FWE A 227 -5.691 88.181 56.792 1.00 0.11 C HETATM 2398 C24 FWE A 227 -5.712 89.371 56.056 1.00 -0.03 C HETATM 2399 C25 FWE A 227 -4.610 90.216 55.972 1.00 -0.05 C HETATM 2400 C26 FWE A 227 -3.413 89.941 56.640 1.00 0.04 C HETATM 2401 C27 FWE A 227 -2.267 90.806 56.582 1.00 0.22 C HETATM 2402 N28 FWE A 227 -1.015 90.317 56.476 1.00 -0.24 N HETATM 2403 C29 FWE A 227 0.183 90.988 56.438 1.00 0.09 C HETATM 2404 C30 FWE A 227 0.292 92.331 56.816 1.00 -0.05 C HETATM 2405 C31 FWE A 227 1.481 93.027 56.807 1.00 -0.07 C HETATM 2406 C32 FWE A 227 2.683 92.456 56.431 1.00 0.06 C HETATM 2407 C33 FWE A 227 3.980 93.162 56.395 1.00 0.21 C HETATM 2408 N34 FWE A 227 5.137 92.509 56.111 1.00 -0.24 N HETATM 2409 C35 FWE A 227 6.458 92.972 56.017 1.00 0.09 C HETATM 2410 C36 FWE A 227 6.826 94.298 56.253 1.00 -0.06 C HETATM 2411 C37 FWE A 227 8.151 94.726 56.148 1.00 -0.08 C HETATM 2412 C38 FWE A 227 9.185 93.866 55.792 1.00 0.02 C HETATM 2413 C39 FWE A 227 10.634 94.384 55.690 1.00 0.05 C HETATM 2414 O40 FWE A 227 11.474 93.560 55.281 1.00 -0.57 O HETATM 2415 O41 FWE A 227 10.849 95.561 56.024 1.00 -0.57 O HETATM 2416 C42 FWE A 227 8.813 92.542 55.548 1.00 0.12 C HETATM 2417 C44 FWE A 227 7.489 92.109 55.654 1.00 0.14 C HETATM 2418 O45 FWE A 227 7.192 90.786 55.389 1.00 -0.33 O HETATM 2419 C46 FWE A 227 6.452 90.556 54.123 1.00 0.05 C HETATM 2420 H18 FWE A 227 6.262 89.480 54.000 1.00 0.06 H HETATM 2421 H19 FWE A 227 7.051 90.922 53.276 1.00 0.06 H HETATM 2422 H20 FWE A 227 5.494 91.096 54.155 1.00 0.06 H HETATM 2423 O43 FWE A 227 9.724 91.597 55.191 1.00 -0.34 O HETATM 2424 H36 FWE A 227 10.587 91.991 55.148 1.00 0.24 H HETATM 2425 H17 FWE A 227 8.382 95.765 56.351 1.00 0.05 H HETATM 2426 H16 FWE A 227 6.061 95.016 56.526 1.00 0.04 H HETATM 2427 H34 FWE A 227 5.028 91.530 55.939 1.00 0.22 H HETATM 2428 O47 FWE A 227 3.973 94.365 56.632 1.00 -0.39 O HETATM 2429 C48 FWE A 227 2.582 91.090 56.050 1.00 0.13 C HETATM 2430 C50 FWE A 227 1.369 90.382 56.062 1.00 0.14 C HETATM 2431 O51 FWE A 227 1.299 89.038 55.690 1.00 -0.33 O HETATM 2432 C52 FWE A 227 1.688 88.183 56.677 1.00 0.05 C HETATM 2433 H21 FWE A 227 1.608 87.147 56.317 1.00 0.06 H HETATM 2434 H22 FWE A 227 1.039 88.317 57.555 1.00 0.06 H HETATM 2435 H23 FWE A 227 2.731 88.395 56.956 1.00 0.06 H HETATM 2436 O49 FWE A 227 3.637 90.321 55.647 1.00 -0.34 O HETATM 2437 H37 FWE A 227 3.477 90.002 54.767 1.00 0.25 H HETATM 2438 H15 FWE A 227 1.474 94.068 57.108 1.00 0.05 H HETATM 2439 H14 FWE A 227 -0.605 92.850 57.132 1.00 0.04 H HETATM 2440 H33 FWE A 227 -0.949 89.321 56.416 1.00 0.22 H HETATM 2441 O53 FWE A 227 -2.461 92.016 56.712 1.00 -0.38 O HETATM 2442 C54 FWE A 227 -3.420 88.767 57.367 1.00 -0.05 C HETATM 2443 C55 FWE A 227 -4.503 87.930 57.464 1.00 -0.03 C HETATM 2444 H25 FWE A 227 -4.428 87.045 58.085 1.00 0.05 H HETATM 2445 H24 FWE A 227 -2.514 88.490 57.894 1.00 0.06 H HETATM 2446 H13 FWE A 227 -4.682 91.115 55.370 1.00 0.06 H HETATM 2447 H3 FWE A 227 -6.621 89.645 55.532 1.00 0.05 H HETATM 2448 O56 FWE A 227 -8.232 88.899 57.807 1.00 -0.37 O HETATM 2449 H2 FWE A 227 -9.398 86.378 58.541 1.00 0.08 H HETATM 2450 H31 FWE A 227 -11.110 87.051 57.292 1.00 0.19 H HETATM 2451 O57 FWE A 227 -9.254 87.189 54.765 1.00 -0.39 O HETATM 2452 H26 FWE A 227 -12.175 88.837 56.424 1.00 0.06 H HETATM 2453 H27 FWE A 227 -14.279 89.558 55.480 1.00 0.05 H HETATM 2454 N10 FWE A 227 -15.279 88.972 53.038 1.00 -0.23 N HETATM 2455 C09 FWE A 227 -16.352 89.679 53.626 1.00 0.23 C HETATM 2456 C07 FWE A 227 -17.642 89.962 52.919 1.00 0.03 C HETATM 2457 C06 FWE A 227 -17.885 89.557 51.655 1.00 -0.05 C HETATM 2458 C05 FWE A 227 -19.105 89.692 50.805 1.00 -0.04 C HETATM 2459 C04 FWE A 227 -19.486 88.720 49.873 1.00 -0.06 C HETATM 2460 C03 FWE A 227 -20.629 88.833 49.085 1.00 -0.03 C HETATM 2461 C02 FWE A 227 -21.452 89.946 49.210 1.00 0.09 C HETATM 2462 C62 FWE A 227 -21.115 90.932 50.132 1.00 -0.03 C HETATM 2463 C61 FWE A 227 -19.965 90.792 50.906 1.00 -0.06 C HETATM 2464 H28 FWE A 227 -19.725 91.572 51.620 1.00 0.06 H HETATM 2465 H29 FWE A 227 -21.745 91.806 50.248 1.00 0.05 H HETATM 2466 O01 FWE A 227 -22.569 90.059 48.437 1.00 -0.33 O HETATM 2467 H35 FWE A 227 -22.639 89.299 47.871 1.00 0.25 H HETATM 2468 H4 FWE A 227 -20.877 88.053 48.374 1.00 0.05 H HETATM 2469 H5 FWE A 227 -18.864 87.840 49.759 1.00 0.06 H HETATM 2470 H6 FWE A 227 -17.052 89.046 51.175 1.00 0.06 H HETATM 2471 C08 FWE A 227 -18.684 90.672 53.627 1.00 -0.02 C HETATM 2472 H7 FWE A 227 -19.556 90.795 52.968 1.00 0.04 H HETATM 2473 H8 FWE A 227 -18.312 91.661 53.932 1.00 0.04 H HETATM 2474 H9 FWE A 227 -18.977 90.100 54.520 1.00 0.04 H HETATM 2475 O60 FWE A 227 -16.258 90.032 54.792 1.00 -0.37 O HETATM 2476 H30 FWE A 227 -15.413 88.715 52.081 1.00 0.23 H HETATM 2477 H10 FWE A 227 -13.411 87.362 51.939 1.00 0.05 H HETATM 2478 H1 FWE A 227 -11.302 86.657 52.893 1.00 0.06 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 16 3 17 24 CONECT 17 16 18 20 CONECT 18 17 19 25 CONECT 19 18 CONECT 20 17 21 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 CONECT 24 16 CONECT 406 399 407 414 CONECT 407 406 408 410 CONECT 408 407 409 415 CONECT 409 408 CONECT 410 407 411 CONECT 411 410 412 CONECT 412 411 413 CONECT 413 412 CONECT 414 406 CONECT 592 578 593 600 CONECT 593 592 594 596 CONECT 594 593 595 601 CONECT 595 594 CONECT 596 593 597 CONECT 597 596 598 CONECT 598 597 599 CONECT 599 598 CONECT 600 592 CONECT 794 786 795 802 CONECT 795 794 796 798 CONECT 796 795 797 803 CONECT 797 796 CONECT 798 795 799 CONECT 799 798 800 CONECT 800 799 801 CONECT 801 800 CONECT 802 794 CONECT 855 845 856 863 CONECT 856 855 857 859 CONECT 857 856 858 864 CONECT 858 857 CONECT 859 856 860 CONECT 860 859 861 CONECT 861 860 862 CONECT 862 861 CONECT 863 855 CONECT 951 943 952 959 CONECT 952 951 953 955 CONECT 953 952 954 960 CONECT 954 953 CONECT 955 952 956 CONECT 956 955 957 CONECT 957 956 958 CONECT 958 957 CONECT 959 951 CONECT 1343 1336 1344 1351 CONECT 1344 1343 1345 1347 CONECT 1345 1344 1346 1352 CONECT 1346 1345 CONECT 1347 1344 1348 CONECT 1348 1347 1349 CONECT 1349 1348 1350 CONECT 1350 1349 CONECT 1351 1343 CONECT 1877 1873 1878 1885 CONECT 1878 1877 1879 1881 CONECT 1879 1878 1880 1886 CONECT 1880 1879 CONECT 1881 1878 1882 CONECT 1882 1881 1883 CONECT 1883 1882 1884 CONECT 1884 1883 CONECT 1885 1877 CONECT 1945 1938 1946 1953 CONECT 1946 1945 1947 1949 CONECT 1947 1946 1948 1954 CONECT 1948 1947 CONECT 1949 1946 1950 CONECT 1950 1949 1951 CONECT 1951 1950 1952 CONECT 1952 1951 CONECT 1953 1945 CONECT 1997 1983 1998 2005 CONECT 1998 1997 1999 2001 CONECT 1999 1998 2000 2006 CONECT 2000 1999 CONECT 2001 1998 2002 CONECT 2002 2001 2003 CONECT 2003 2002 2004 CONECT 2004 2003 CONECT 2005 1997 CONECT 2135 2129 2136 2143 CONECT 2136 2135 2137 2139 CONECT 2137 2136 2138 2144 CONECT 2138 2137 CONECT 2139 2136 2140 CONECT 2140 2139 2141 CONECT 2141 2140 2142 CONECT 2142 2141 CONECT 2143 2135 CONECT 2144 2137 2145 2152 CONECT 2145 2144 2146 2148 CONECT 2146 2145 2147 CONECT 2147 2146 CONECT 2148 2145 2149 CONECT 2149 2148 2150 CONECT 2150 2149 2151 CONECT 2151 2150 CONECT 2152 2144 CONECT 2380 2381 2385 2478 CONECT 2381 2380 2382 2477 CONECT 2382 2381 2383 2454 CONECT 2383 2382 2384 2453 CONECT 2384 2383 2385 2452 CONECT 2385 2380 2384 2386 CONECT 2386 2385 2387 2451 CONECT 2387 2386 2388 2450 CONECT 2388 2387 2389 2392 2449 CONECT 2389 2388 2390 2448 CONECT 2390 2389 2391 2397 CONECT 2391 2390 2392 2395 CONECT 2392 2388 2391 2393 2394 CONECT 2393 2392 CONECT 2394 2392 CONECT 2395 2391 2396 CONECT 2396 2395 CONECT 2397 2390 2398 2443 CONECT 2398 2397 2399 2447 CONECT 2399 2398 2400 2446 CONECT 2400 2399 2401 2442 CONECT 2401 2400 2402 2441 CONECT 2402 2401 2403 2440 CONECT 2403 2402 2404 2430 CONECT 2404 2403 2405 2439 CONECT 2405 2404 2406 2438 CONECT 2406 2405 2407 2429 CONECT 2407 2406 2408 2428 CONECT 2408 2407 2409 2427 CONECT 2409 2408 2410 2417 CONECT 2410 2409 2411 2426 CONECT 2411 2410 2412 2425 CONECT 2412 2411 2413 2416 CONECT 2413 2412 2414 2415 CONECT 2414 2413 CONECT 2415 2413 CONECT 2416 2412 2417 2423 CONECT 2417 2409 2416 2418 CONECT 2418 2417 2419 CONECT 2419 2418 2420 2421 2422 CONECT 2420 2419 CONECT 2421 2419 CONECT 2422 2419 CONECT 2423 2416 2424 CONECT 2424 2423 CONECT 2425 2411 CONECT 2426 2410 CONECT 2427 2408 CONECT 2428 2407 CONECT 2429 2406 2430 2436 CONECT 2430 2403 2429 2431 CONECT 2431 2430 2432 CONECT 2432 2431 2433 2434 2435 CONECT 2433 2432 CONECT 2434 2432 CONECT 2435 2432 CONECT 2436 2429 2437 CONECT 2437 2436 CONECT 2438 2405 CONECT 2439 2404 CONECT 2440 2402 CONECT 2441 2401 CONECT 2442 2400 2443 2445 CONECT 2443 2397 2442 2444 CONECT 2444 2443 CONECT 2445 2442 CONECT 2446 2399 CONECT 2447 2398 CONECT 2448 2389 CONECT 2449 2388 CONECT 2450 2387 CONECT 2451 2386 CONECT 2452 2384 CONECT 2453 2383 CONECT 2454 2382 2455 2476 CONECT 2455 2454 2456 2475 CONECT 2456 2455 2457 2471 CONECT 2457 2456 2458 2470 CONECT 2458 2457 2459 2463 CONECT 2459 2458 2460 2469 CONECT 2460 2459 2461 2468 CONECT 2461 2460 2462 2466 CONECT 2462 2461 2463 2465 CONECT 2463 2458 2462 2464 CONECT 2464 2463 CONECT 2465 2462 CONECT 2466 2461 2467 CONECT 2467 2466 CONECT 2468 2460 CONECT 2469 2459 CONECT 2470 2457 CONECT 2471 2456 2472 2473 2474 CONECT 2472 2471 CONECT 2473 2471 CONECT 2474 2471 CONECT 2475 2455 CONECT 2476 2454 CONECT 2477 2381 CONECT 2478 2380 MASTER 0 0 0 0 0 0 0 0 2477 1 211 17 END
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Structure:
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Related entries of code: 6h96
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6et8
RCSB PDB
PDBbind
222aa, >6ET8_1|Chains... at 96%
6hai
RCSB PDB
PDBbind
226aa, >6HAI_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6h96
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
AlbA
Ligand Name
FWE
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=2.1nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Am. Chem. Soc. Vol. 140: pp. 16641-16649
Ligand Properties
Formula
C
4
4
H
3
8
N
6
O
1
2
Molecular Weight
842.806
Exact Mass
842.255
No. of atoms
100
No. of bonds
105
Polar Surface Area
277.01
LOGP Value
5.79 (
Computed with XLOGP3
)
6.35 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 6
Canonical SMILES
COc1c(ccc(c1O)C(=O)Nc1ccc(c(c1OC)O)C(=O)O)NC(=O)c1ccc(cc1)N1C(=N)C[C@@H](C1=O)NC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(cc1)O)/C
InChI String
InChI=1S/C44H38N6O12/c1-22(20-23-4-14-28(51)15-5-23)39(54)46-26-10-6-24(7-11-26)41(56)49-33-21-34(45)50(43(33)58)27-12-8-25(9-13-27)40(55)47-31-18-16-29(35(52)37(31)61-2)42(57)48-32-19-17-30(44(59)60)36(53)38(32)62-3/h4-20,33,45,51-53H,21H2,1-3H3,(H,46,54)(H,47,55)(H,48,57)(H,49,56)(H,59,60)/b22-20+,45-34-/t33-/m0/s1
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):
Q8KRS7
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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