Browse entries in the PDBbind-CN Database
HEADER 6B5Q_COMPLEX COMPND 6B5Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 190 ARG LYS LYS LEU GLU GLN LEU TYR ASN ARG TYR LYS ASP SEQRES 2 A 190 PRO GLN ASP GLU ASN LYS ILE GLY ILE ASP GLY ILE GLN SEQRES 3 A 190 GLN PHE CYS ASP ASP LEU ALA LEU ASP PRO ALA SER ILE SEQRES 4 A 190 SER VAL LEU ILE ILE ALA TRP LYS PHE ARG ALA ALA THR SEQRES 5 A 190 GLN CYS GLU PHE SER LYS GLN GLU PHE MET ASP GLY MET SEQRES 6 A 190 THR GLU LEU GLY CYS ASP SER ILE GLU LYS LEU LYS ALA SEQRES 7 A 190 GLN ILE PRO LYS MET GLU GLN GLU LEU LYS GLU PRO GLY SEQRES 8 A 190 ARG PHE LYS ASP PHE TYR GLN PHE THR PHE ASN PHE ALA SEQRES 9 A 190 LYS ASN PRO GLY GLN LYS GLY LEU ASP LEU GLU MET ALA SEQRES 10 A 190 ILE ALA TYR TRP ASN LEU VAL LEU ASN GLY ARG PHE LYS SEQRES 11 A 190 PHE LEU ASP LEU TRP ASN LYS PHE LEU LEU GLU HIS HIS SEQRES 12 A 190 LYS ARG SER ILE PRO LYS ASP THR TRP ASN LEU LEU LEU SEQRES 13 A 190 ASP PHE SER THR MET ILE ALA ASP ASP MET SER ASN TYR SEQRES 14 A 190 ASP GLU GLU GLY ALA TRP PRO VAL LEU ILE ASP ASP PHE SEQRES 15 A 190 VAL GLU PHE ALA ARG PRO GLN ILE HET PPI A 251 100 ATOM 1 N ARG A 62 9.801 9.938 -3.185 1.00 80.25 N ATOM 2 CA ARG A 62 9.262 8.673 -2.686 1.00 80.08 C ATOM 3 C ARG A 62 7.735 8.669 -2.645 1.00 84.43 C ATOM 4 O ARG A 62 7.112 9.605 -2.136 1.00 84.61 O ATOM 5 CB ARG A 62 9.829 8.332 -1.294 1.00 78.79 C ATOM 6 CG ARG A 62 9.643 6.864 -0.857 1.00 84.27 C ATOM 7 CD ARG A 62 10.529 5.882 -1.621 1.00 88.13 C ATOM 8 NE ARG A 62 11.925 6.322 -1.657 1.00 91.39 N ATOM 9 CZ ARG A 62 12.869 5.896 -0.827 1.00102.88 C ATOM 10 NH1 ARG A 62 12.588 4.986 0.098 1.00 91.23 N ATOM 11 NH2 ARG A 62 14.107 6.361 -0.926 1.00 86.30 N ATOM 12 HE ARG A 62 12.195 7.016 -2.383 1.00 0.00 H ATOM 13 HH12 ARG A 62 13.332 4.656 0.746 1.00 0.00 H ATOM 14 HH11 ARG A 62 11.624 4.603 0.175 1.00 0.00 H ATOM 15 HH22 ARG A 62 14.843 6.024 -0.273 1.00 0.00 H ATOM 16 HH21 ARG A 62 14.342 7.063 -1.657 1.00 0.00 H ATOM 17 HN3 ARG A 62 9.493 10.714 -2.564 1.00 0.00 H ATOM 18 HN2 ARG A 62 9.452 10.105 -4.150 1.00 0.00 H ATOM 19 HN1 ARG A 62 10.840 9.891 -3.194 1.00 0.00 H ATOM 20 N LYS A 63 7.148 7.590 -3.155 1.00 80.07 N ATOM 21 CA LYS A 63 5.705 7.391 -3.199 1.00 79.69 C ATOM 22 C LYS A 63 5.154 6.973 -1.837 1.00 81.74 C ATOM 23 O LYS A 63 4.027 7.347 -1.494 1.00 81.09 O ATOM 24 CB LYS A 63 5.338 6.371 -4.299 1.00 81.90 C ATOM 25 CG LYS A 63 5.220 6.987 -5.696 1.00 88.38 C ATOM 26 CD LYS A 63 3.858 7.663 -5.912 1.00 93.68 C ATOM 27 CE LYS A 63 3.561 7.979 -7.355 1.00 97.26 C ATOM 28 NZ LYS A 63 2.169 8.469 -7.523 1.00101.53 N ATOM 29 HZ1 LYS A 63 1.504 7.738 -7.200 1.00 0.00 H ATOM 30 HZ2 LYS A 63 2.037 9.333 -6.960 1.00 0.00 H ATOM 31 HZ3 LYS A 63 1.995 8.678 -8.527 1.00 0.00 H ATOM 32 H LYS A 63 7.756 6.843 -3.546 1.00 0.00 H ATOM 33 N LYS A 64 5.953 6.202 -1.060 1.00 77.09 N ATOM 34 CA LYS A 64 5.595 5.728 0.285 1.00 76.14 C ATOM 35 C LYS A 64 5.517 6.919 1.260 1.00 77.63 C ATOM 36 O LYS A 64 4.749 6.878 2.223 1.00 77.53 O ATOM 37 CB LYS A 64 6.604 4.668 0.772 1.00 78.17 C ATOM 38 CG LYS A 64 6.093 3.804 1.920 1.00 91.25 C ATOM 39 CD LYS A 64 7.225 3.078 2.627 1.00104.35 C ATOM 40 CE LYS A 64 6.756 2.338 3.858 1.00119.42 C ATOM 41 NZ LYS A 64 7.884 1.691 4.585 1.00129.23 N ATOM 42 HZ1 LYS A 64 8.355 1.010 3.956 1.00 0.00 H ATOM 43 HZ2 LYS A 64 8.565 2.418 4.883 1.00 0.00 H ATOM 44 HZ3 LYS A 64 7.516 1.195 5.422 1.00 0.00 H ATOM 45 H LYS A 64 6.881 5.927 -1.440 1.00 0.00 H ATOM 46 N LEU A 65 6.299 7.982 0.983 1.00 72.21 N ATOM 47 CA LEU A 65 6.348 9.217 1.763 1.00 70.28 C ATOM 48 C LEU A 65 5.154 10.116 1.450 1.00 72.60 C ATOM 49 O LEU A 65 4.573 10.701 2.369 1.00 69.63 O ATOM 50 CB LEU A 65 7.673 9.952 1.522 1.00 69.49 C ATOM 51 CG LEU A 65 8.099 10.968 2.585 1.00 72.48 C ATOM 52 CD1 LEU A 65 7.925 10.413 3.985 1.00 71.92 C ATOM 53 CD2 LEU A 65 9.528 11.410 2.355 1.00 73.52 C ATOM 54 H LEU A 65 6.916 7.918 0.148 1.00 0.00 H ATOM 55 N GLU A 66 4.780 10.200 0.151 1.00 69.98 N ATOM 56 CA GLU A 66 3.627 10.959 -0.331 1.00 69.86 C ATOM 57 C GLU A 66 2.319 10.338 0.221 1.00 72.75 C ATOM 58 O GLU A 66 1.430 11.082 0.647 1.00 72.26 O ATOM 59 CB GLU A 66 3.617 10.989 -1.865 1.00 71.98 C ATOM 60 CG GLU A 66 2.723 12.069 -2.450 1.00 87.69 C ATOM 61 CD GLU A 66 3.415 13.016 -3.413 1.00116.61 C ATOM 62 OE1 GLU A 66 3.513 14.222 -3.090 1.00103.85 O ATOM 63 OE2 GLU A 66 3.845 12.558 -4.498 1.00117.13 O ATOM 64 H GLU A 66 5.352 9.690 -0.552 1.00 0.00 H ATOM 65 N GLN A 67 2.232 8.986 0.248 1.00 67.63 N ATOM 66 CA GLN A 67 1.075 8.244 0.765 1.00 67.69 C ATOM 67 C GLN A 67 0.877 8.487 2.262 1.00 69.04 C ATOM 68 O GLN A 67 -0.259 8.661 2.718 1.00 68.41 O ATOM 69 CB GLN A 67 1.198 6.737 0.461 1.00 70.09 C ATOM 70 H GLN A 67 3.036 8.439 -0.121 1.00 0.00 H ATOM 71 N LEU A 68 1.990 8.529 3.015 1.00 63.88 N ATOM 72 CA LEU A 68 2.006 8.829 4.443 1.00 61.93 C ATOM 73 C LEU A 68 1.630 10.320 4.650 1.00 64.11 C ATOM 74 O LEU A 68 0.996 10.647 5.656 1.00 63.79 O ATOM 75 CB LEU A 68 3.388 8.497 5.048 1.00 61.45 C ATOM 76 CG LEU A 68 3.560 8.716 6.561 1.00 65.47 C ATOM 77 CD1 LEU A 68 2.663 7.771 7.387 1.00 66.27 C ATOM 78 CD2 LEU A 68 4.992 8.561 6.966 1.00 67.09 C ATOM 79 H LEU A 68 2.899 8.335 2.549 1.00 0.00 H ATOM 80 N TYR A 69 1.979 11.211 3.684 1.00 58.73 N ATOM 81 CA TYR A 69 1.610 12.625 3.790 1.00 57.22 C ATOM 82 C TYR A 69 0.095 12.858 3.662 1.00 63.49 C ATOM 83 O TYR A 69 -0.449 13.709 4.370 1.00 62.34 O ATOM 84 CB TYR A 69 2.380 13.525 2.797 1.00 56.39 C ATOM 85 CG TYR A 69 1.903 14.960 2.851 1.00 54.75 C ATOM 86 CD1 TYR A 69 2.234 15.784 3.922 1.00 55.01 C ATOM 87 CD2 TYR A 69 1.019 15.456 1.898 1.00 54.97 C ATOM 88 CE1 TYR A 69 1.746 17.083 4.013 1.00 52.61 C ATOM 89 CE2 TYR A 69 0.511 16.750 1.988 1.00 54.07 C ATOM 90 CZ TYR A 69 0.872 17.558 3.051 1.00 56.88 C ATOM 91 OH TYR A 69 0.425 18.854 3.121 1.00 54.42 O ATOM 92 HH TYR A 69 -0.565 18.860 3.145 1.00 0.00 H ATOM 93 H TYR A 69 2.517 10.883 2.856 1.00 0.00 H ATOM 94 N ASN A 70 -0.554 12.131 2.728 1.00 62.05 N ATOM 95 CA ASN A 70 -1.986 12.188 2.397 1.00 62.24 C ATOM 96 C ASN A 70 -2.875 11.899 3.589 1.00 65.25 C ATOM 97 O ASN A 70 -3.972 12.455 3.690 1.00 64.16 O ATOM 98 CB ASN A 70 -2.303 11.233 1.240 1.00 62.81 C ATOM 99 CG ASN A 70 -1.742 11.678 -0.091 1.00 87.74 C ATOM 100 OD1 ASN A 70 -1.883 12.836 -0.503 1.00 87.96 O ATOM 101 ND2 ASN A 70 -1.123 10.758 -0.814 1.00 76.06 N ATOM 102 HD22 ASN A 70 -1.017 9.791 -0.445 1.00 0.00 H ATOM 103 HD21 ASN A 70 -0.742 11.002 -1.751 1.00 0.00 H ATOM 104 H ASN A 70 0.021 11.457 2.183 1.00 0.00 H ATOM 105 N ARG A 71 -2.377 11.050 4.504 1.00 61.47 N ATOM 106 CA ARG A 71 -3.001 10.662 5.771 1.00 60.62 C ATOM 107 C ARG A 71 -3.136 11.875 6.718 1.00 63.43 C ATOM 108 O ARG A 71 -4.020 11.877 7.577 1.00 63.38 O ATOM 109 CB ARG A 71 -2.133 9.563 6.422 1.00 59.99 C ATOM 110 CG ARG A 71 -2.641 9.006 7.738 1.00 68.19 C ATOM 111 CD ARG A 71 -1.709 7.936 8.260 1.00 75.69 C ATOM 112 NE ARG A 71 -1.979 7.597 9.658 1.00 79.07 N ATOM 113 CZ ARG A 71 -2.861 6.686 10.057 1.00 95.66 C ATOM 114 NH1 ARG A 71 -3.596 6.029 9.169 1.00 82.95 N ATOM 115 NH2 ARG A 71 -3.027 6.438 11.349 1.00 85.13 N ATOM 116 HE ARG A 71 -1.443 8.105 10.391 1.00 0.00 H ATOM 117 HH12 ARG A 71 -4.284 5.318 9.488 1.00 0.00 H ATOM 118 HH11 ARG A 71 -3.484 6.225 8.154 1.00 0.00 H ATOM 119 HH22 ARG A 71 -3.718 5.724 11.657 1.00 0.00 H ATOM 120 HH21 ARG A 71 -2.466 6.957 12.054 1.00 0.00 H ATOM 121 H ARG A 71 -1.453 10.624 4.290 1.00 0.00 H ATOM 122 N TYR A 72 -2.276 12.908 6.557 1.00 64.92 N ATOM 123 CA TYR A 72 -2.281 14.068 7.458 1.00 61.09 C ATOM 124 C TYR A 72 -2.793 15.380 6.866 1.00 62.85 C ATOM 125 O TYR A 72 -3.339 16.190 7.615 1.00 61.14 O ATOM 126 CB TYR A 72 -0.879 14.290 8.051 1.00 58.74 C ATOM 127 CG TYR A 72 -0.239 13.044 8.630 1.00 61.63 C ATOM 128 CD1 TYR A 72 -0.866 12.319 9.638 1.00 65.26 C ATOM 129 CD2 TYR A 72 1.020 12.624 8.213 1.00 62.03 C ATOM 130 CE1 TYR A 72 -0.285 11.172 10.173 1.00 66.31 C ATOM 131 CE2 TYR A 72 1.620 11.485 8.753 1.00 64.12 C ATOM 132 CZ TYR A 72 0.968 10.775 9.748 1.00 71.95 C ATOM 133 OH TYR A 72 1.543 9.668 10.310 1.00 74.62 O ATOM 134 HH TYR A 72 0.936 9.295 10.997 1.00 0.00 H ATOM 135 H TYR A 72 -1.593 12.879 5.773 1.00 0.00 H ATOM 136 N LYS A 73 -2.613 15.604 5.549 1.00 60.08 N ATOM 137 CA LYS A 73 -2.976 16.871 4.889 1.00 59.12 C ATOM 138 C LYS A 73 -4.383 17.387 5.234 1.00 64.34 C ATOM 139 O LYS A 73 -5.324 16.602 5.391 1.00 64.37 O ATOM 140 CB LYS A 73 -2.770 16.824 3.364 1.00 61.76 C ATOM 141 CG LYS A 73 -3.645 15.820 2.614 1.00 66.88 C ATOM 142 CD LYS A 73 -3.361 15.851 1.124 1.00 64.87 C ATOM 143 CE LYS A 73 -4.358 14.998 0.370 1.00 74.95 C ATOM 144 NZ LYS A 73 -5.011 15.760 -0.725 1.00 79.49 N ATOM 145 HZ1 LYS A 73 -5.514 16.578 -0.325 1.00 0.00 H ATOM 146 HZ2 LYS A 73 -4.288 16.090 -1.395 1.00 0.00 H ATOM 147 HZ3 LYS A 73 -5.687 15.144 -1.219 1.00 0.00 H ATOM 148 H LYS A 73 -2.198 14.846 4.970 1.00 0.00 H ATOM 149 N ASP A 74 -4.494 18.722 5.388 1.00 60.85 N ATOM 150 CA ASP A 74 -5.755 19.387 5.700 1.00 62.95 C ATOM 151 C ASP A 74 -6.696 19.247 4.484 1.00 70.26 C ATOM 152 O ASP A 74 -6.260 19.505 3.359 1.00 69.77 O ATOM 153 CB ASP A 74 -5.509 20.852 6.068 1.00 62.61 C ATOM 154 CG ASP A 74 -6.772 21.589 6.450 1.00 82.22 C ATOM 155 OD1 ASP A 74 -7.135 21.564 7.644 1.00 85.43 O ATOM 156 OD2 ASP A 74 -7.408 22.170 5.555 1.00 90.18 O ATOM 157 H ASP A 74 -3.640 19.306 5.279 1.00 0.00 H ATOM 158 N PRO A 75 -7.960 18.794 4.673 1.00 70.58 N ATOM 159 CA PRO A 75 -8.861 18.612 3.515 1.00 74.78 C ATOM 160 C PRO A 75 -9.090 19.868 2.671 1.00 78.95 C ATOM 161 O PRO A 75 -9.268 19.758 1.458 1.00 81.12 O ATOM 162 CB PRO A 75 -10.158 18.100 4.149 1.00 80.25 C ATOM 163 CG PRO A 75 -9.744 17.532 5.466 1.00 82.77 C ATOM 164 CD PRO A 75 -8.626 18.405 5.932 1.00 72.93 C ATOM 165 N GLN A 76 -9.043 21.054 3.302 1.00 73.35 N ATOM 166 CA GLN A 76 -9.215 22.334 2.620 1.00 73.10 C ATOM 167 C GLN A 76 -7.943 22.761 1.891 1.00 71.86 C ATOM 168 O GLN A 76 -8.031 23.236 0.759 1.00 73.63 O ATOM 169 CB GLN A 76 -9.655 23.428 3.610 1.00 73.52 C ATOM 170 H GLN A 76 -8.876 21.060 4.328 1.00 0.00 H ATOM 171 N ASP A 77 -6.769 22.580 2.526 1.00 62.85 N ATOM 172 CA ASP A 77 -5.464 23.003 1.998 1.00 59.25 C ATOM 173 C ASP A 77 -4.477 21.836 1.924 1.00 61.02 C ATOM 174 O ASP A 77 -3.818 21.525 2.913 1.00 58.70 O ATOM 175 CB ASP A 77 -4.896 24.160 2.864 1.00 56.95 C ATOM 176 CG ASP A 77 -3.801 25.019 2.235 1.00 67.04 C ATOM 177 OD1 ASP A 77 -3.141 24.547 1.275 1.00 67.92 O ATOM 178 OD2 ASP A 77 -3.578 26.151 2.726 1.00 71.33 O ATOM 179 H ASP A 77 -6.787 22.109 3.453 1.00 0.00 H ATOM 180 N GLU A 78 -4.334 21.238 0.734 1.00 58.95 N ATOM 181 CA GLU A 78 -3.444 20.103 0.459 1.00 58.83 C ATOM 182 C GLU A 78 -1.967 20.307 0.848 1.00 59.21 C ATOM 183 O GLU A 78 -1.273 19.312 1.080 1.00 57.93 O ATOM 184 CB GLU A 78 -3.520 19.715 -1.031 1.00 63.25 C ATOM 185 H GLU A 78 -4.898 21.607 -0.058 1.00 0.00 H ATOM 186 N ASN A 79 -1.481 21.572 0.863 1.00 52.88 N ATOM 187 CA ASN A 79 -0.075 21.902 1.136 1.00 50.23 C ATOM 188 C ASN A 79 0.259 22.117 2.624 1.00 50.65 C ATOM 189 O ASN A 79 1.427 22.337 2.968 1.00 47.97 O ATOM 190 CB ASN A 79 0.376 23.100 0.278 1.00 50.59 C ATOM 191 CG ASN A 79 0.334 22.780 -1.206 1.00 74.04 C ATOM 192 OD1 ASN A 79 0.924 21.801 -1.680 1.00 63.26 O ATOM 193 ND2 ASN A 79 -0.408 23.569 -1.969 1.00 70.37 N ATOM 194 HD22 ASN A 79 -0.896 24.387 -1.551 1.00 0.00 H ATOM 195 HD21 ASN A 79 -0.502 23.370 -2.985 1.00 0.00 H ATOM 196 H ASN A 79 -2.140 22.353 0.671 1.00 0.00 H ATOM 197 N LYS A 80 -0.745 21.996 3.507 1.00 47.10 N ATOM 198 CA LYS A 80 -0.544 22.123 4.947 1.00 44.60 C ATOM 199 C LYS A 80 -1.176 20.922 5.641 1.00 48.46 C ATOM 200 O LYS A 80 -2.031 20.253 5.057 1.00 48.92 O ATOM 201 CB LYS A 80 -1.185 23.428 5.492 1.00 45.86 C ATOM 202 CG LYS A 80 -0.705 24.700 4.795 1.00 60.87 C ATOM 203 CD LYS A 80 -1.337 25.954 5.380 1.00 68.26 C ATOM 204 CE LYS A 80 -0.913 27.189 4.622 1.00 73.50 C ATOM 205 NZ LYS A 80 -1.584 28.416 5.135 1.00 88.30 N ATOM 206 HZ1 LYS A 80 -2.614 28.312 5.038 1.00 0.00 H ATOM 207 HZ2 LYS A 80 -1.340 28.550 6.137 1.00 0.00 H ATOM 208 HZ3 LYS A 80 -1.264 29.240 4.586 1.00 0.00 H ATOM 209 H LYS A 80 -1.703 21.804 3.151 1.00 0.00 H ATOM 210 N ILE A 81 -0.756 20.670 6.891 1.00 42.34 N ATOM 211 CA ILE A 81 -1.319 19.672 7.792 1.00 43.52 C ATOM 212 C ILE A 81 -1.989 20.516 8.896 1.00 48.85 C ATOM 213 O ILE A 81 -1.351 21.420 9.449 1.00 45.55 O ATOM 214 CB ILE A 81 -0.203 18.753 8.356 1.00 45.27 C ATOM 215 CG1 ILE A 81 0.457 17.892 7.246 1.00 45.62 C ATOM 216 CG2 ILE A 81 -0.751 17.873 9.444 1.00 46.79 C ATOM 217 CD1 ILE A 81 1.752 17.210 7.653 1.00 47.94 C ATOM 218 H ILE A 81 0.040 21.236 7.247 1.00 0.00 H ATOM 219 N GLY A 82 -3.269 20.272 9.157 1.00 48.32 N ATOM 220 CA GLY A 82 -3.989 21.030 10.177 1.00 47.56 C ATOM 221 C GLY A 82 -3.873 20.401 11.548 1.00 51.76 C ATOM 222 O GLY A 82 -3.117 19.439 11.740 1.00 51.29 O ATOM 223 H GLY A 82 -3.766 19.529 8.626 1.00 0.00 H ATOM 224 N ILE A 83 -4.640 20.942 12.502 1.00 49.37 N ATOM 225 CA ILE A 83 -4.758 20.509 13.898 1.00 51.06 C ATOM 226 C ILE A 83 -4.961 18.976 13.938 1.00 55.08 C ATOM 227 O ILE A 83 -4.201 18.277 14.618 1.00 51.77 O ATOM 228 CB ILE A 83 -5.967 21.248 14.581 1.00 57.66 C ATOM 229 CG1 ILE A 83 -5.889 22.775 14.381 1.00 58.62 C ATOM 230 CG2 ILE A 83 -6.097 20.887 16.080 1.00 59.62 C ATOM 231 CD1 ILE A 83 -7.259 23.568 14.598 1.00 75.41 C ATOM 232 H ILE A 83 -5.217 21.761 12.222 1.00 0.00 H ATOM 233 N ASP A 84 -5.976 18.474 13.189 1.00 55.67 N ATOM 234 CA ASP A 84 -6.329 17.046 13.118 1.00 59.71 C ATOM 235 C ASP A 84 -5.198 16.181 12.593 1.00 60.39 C ATOM 236 O ASP A 84 -4.901 15.145 13.190 1.00 59.54 O ATOM 237 CB ASP A 84 -7.628 16.816 12.323 1.00 65.83 C ATOM 238 CG ASP A 84 -8.839 17.519 12.904 1.00 80.56 C ATOM 239 OD1 ASP A 84 -8.810 17.863 14.112 1.00 80.01 O ATOM 240 OD2 ASP A 84 -9.818 17.722 12.158 1.00 91.43 O ATOM 241 H ASP A 84 -6.542 19.142 12.628 1.00 0.00 H ATOM 242 N GLY A 85 -4.549 16.648 11.529 1.00 55.70 N ATOM 243 CA GLY A 85 -3.411 15.967 10.918 1.00 55.11 C ATOM 244 C GLY A 85 -2.186 15.912 11.816 1.00 56.14 C ATOM 245 O GLY A 85 -1.526 14.875 11.898 1.00 56.90 O ATOM 246 H GLY A 85 -4.869 17.545 11.111 1.00 0.00 H ATOM 247 N ILE A 86 -1.871 17.028 12.505 1.00 49.70 N ATOM 248 CA ILE A 86 -0.726 17.076 13.431 1.00 46.97 C ATOM 249 C ILE A 86 -1.029 16.164 14.623 1.00 52.66 C ATOM 250 O ILE A 86 -0.154 15.405 15.054 1.00 52.14 O ATOM 251 CB ILE A 86 -0.362 18.511 13.868 1.00 46.03 C ATOM 252 CG1 ILE A 86 0.137 19.361 12.691 1.00 43.90 C ATOM 253 CG2 ILE A 86 0.647 18.495 15.010 1.00 44.51 C ATOM 254 CD1 ILE A 86 0.235 20.820 13.050 1.00 41.97 C ATOM 255 H ILE A 86 -2.454 17.880 12.379 1.00 0.00 H ATOM 256 N GLN A 87 -2.279 16.222 15.131 1.00 51.22 N ATOM 257 CA GLN A 87 -2.725 15.331 16.199 1.00 54.40 C ATOM 258 C GLN A 87 -2.603 13.846 15.764 1.00 61.52 C ATOM 259 O GLN A 87 -2.169 13.014 16.563 1.00 62.50 O ATOM 260 CB GLN A 87 -4.159 15.653 16.628 1.00 57.79 C ATOM 261 CG GLN A 87 -4.211 16.708 17.728 1.00 65.52 C ATOM 262 CD GLN A 87 -5.593 17.234 18.040 1.00 72.73 C ATOM 263 OE1 GLN A 87 -5.729 18.334 18.559 1.00 64.33 O ATOM 264 NE2 GLN A 87 -6.652 16.484 17.738 1.00 64.05 N ATOM 265 HE22 GLN A 87 -6.520 15.551 17.297 1.00 0.00 H ATOM 266 HE21 GLN A 87 -7.611 16.831 17.943 1.00 0.00 H ATOM 267 H GLN A 87 -2.945 16.924 14.750 1.00 0.00 H ATOM 268 N GLN A 88 -2.922 13.540 14.491 1.00 59.24 N ATOM 269 CA GLN A 88 -2.828 12.175 13.949 1.00 62.88 C ATOM 270 C GLN A 88 -1.375 11.667 13.925 1.00 64.49 C ATOM 271 O GLN A 88 -1.103 10.528 14.297 1.00 66.02 O ATOM 272 CB GLN A 88 -3.449 12.101 12.536 1.00 65.79 C ATOM 273 CG GLN A 88 -3.660 10.676 12.013 1.00 74.85 C ATOM 274 CD GLN A 88 -4.522 9.863 12.947 1.00 90.73 C ATOM 275 OE1 GLN A 88 -5.656 10.237 13.269 1.00 87.34 O ATOM 276 NE2 GLN A 88 -3.972 8.766 13.454 1.00 78.29 N ATOM 277 HE22 GLN A 88 -3.016 8.481 13.161 1.00 0.00 H ATOM 278 HE21 GLN A 88 -4.497 8.192 14.144 1.00 0.00 H ATOM 279 H GLN A 88 -3.249 14.302 13.864 1.00 0.00 H ATOM 280 N PHE A 89 -0.458 12.534 13.505 1.00 57.35 N ATOM 281 CA PHE A 89 0.972 12.272 13.393 1.00 55.09 C ATOM 282 C PHE A 89 1.597 11.914 14.751 1.00 57.03 C ATOM 283 O PHE A 89 2.378 10.970 14.821 1.00 56.67 O ATOM 284 CB PHE A 89 1.631 13.507 12.750 1.00 53.31 C ATOM 285 CG PHE A 89 3.133 13.546 12.674 1.00 53.62 C ATOM 286 CD1 PHE A 89 3.824 12.723 11.786 1.00 59.31 C ATOM 287 CD2 PHE A 89 3.856 14.460 13.428 1.00 53.57 C ATOM 288 CE1 PHE A 89 5.217 12.784 11.691 1.00 59.19 C ATOM 289 CE2 PHE A 89 5.248 14.518 13.333 1.00 56.11 C ATOM 290 CZ PHE A 89 5.918 13.696 12.450 1.00 55.54 C ATOM 291 H PHE A 89 -0.790 13.481 13.233 1.00 0.00 H ATOM 292 N CYS A 90 1.236 12.651 15.824 1.00 52.63 N ATOM 293 CA CYS A 90 1.747 12.421 17.179 1.00 54.15 C ATOM 294 C CYS A 90 1.207 11.114 17.766 1.00 62.92 C ATOM 295 O CYS A 90 1.901 10.445 18.531 1.00 62.58 O ATOM 296 CB CYS A 90 1.425 13.607 18.083 1.00 53.56 C ATOM 297 SG CYS A 90 2.175 15.164 17.553 1.00 53.87 S ATOM 298 H CYS A 90 0.557 13.426 15.681 1.00 0.00 H ATOM 299 N ASP A 91 -0.051 10.787 17.439 1.00 63.60 N ATOM 300 CA ASP A 91 -0.735 9.574 17.878 1.00 67.87 C ATOM 301 C ASP A 91 -0.091 8.352 17.251 1.00 71.46 C ATOM 302 O ASP A 91 0.246 7.432 17.976 1.00 71.97 O ATOM 303 CB ASP A 91 -2.231 9.665 17.575 1.00 72.68 C ATOM 304 CG ASP A 91 -2.970 10.658 18.465 1.00 89.37 C ATOM 305 OD1 ASP A 91 -2.358 11.155 19.453 1.00 88.29 O ATOM 306 OD2 ASP A 91 -4.163 10.932 18.189 1.00 99.65 O ATOM 307 H ASP A 91 -0.578 11.444 16.829 1.00 0.00 H ATOM 308 N ASP A 92 0.189 8.394 15.935 1.00 68.56 N ATOM 309 CA ASP A 92 0.893 7.332 15.189 1.00 69.89 C ATOM 310 C ASP A 92 2.293 7.076 15.800 1.00 72.98 C ATOM 311 O ASP A 92 2.743 5.931 15.854 1.00 75.74 O ATOM 312 CB ASP A 92 1.020 7.720 13.704 1.00 69.91 C ATOM 313 CG ASP A 92 -0.282 7.766 12.921 1.00 78.99 C ATOM 314 OD1 ASP A 92 -1.305 7.237 13.425 1.00 83.48 O ATOM 315 OD2 ASP A 92 -0.273 8.297 11.787 1.00 78.17 O ATOM 316 H ASP A 92 -0.113 9.236 15.405 1.00 0.00 H ATOM 317 N LEU A 93 2.955 8.157 16.285 1.00 66.21 N ATOM 318 CA LEU A 93 4.252 8.125 16.973 1.00 64.27 C ATOM 319 C LEU A 93 4.101 7.746 18.473 1.00 69.21 C ATOM 320 O LEU A 93 5.115 7.582 19.155 1.00 69.80 O ATOM 321 CB LEU A 93 4.950 9.491 16.857 1.00 59.21 C ATOM 322 CG LEU A 93 5.570 9.874 15.497 1.00 61.37 C ATOM 323 CD1 LEU A 93 5.902 11.361 15.455 1.00 55.80 C ATOM 324 CD2 LEU A 93 6.838 9.077 15.208 1.00 63.91 C ATOM 325 H LEU A 93 2.506 9.086 16.159 1.00 0.00 H ATOM 326 N ALA A 94 2.845 7.577 18.964 1.00 65.74 N ATOM 327 CA ALA A 94 2.475 7.273 20.364 1.00 67.56 C ATOM 328 C ALA A 94 3.038 8.333 21.343 1.00 69.78 C ATOM 329 O ALA A 94 3.587 8.013 22.400 1.00 71.57 O ATOM 330 CB ALA A 94 2.887 5.847 20.760 1.00 72.54 C ATOM 331 H ALA A 94 2.063 7.671 18.285 1.00 0.00 H ATOM 332 N LEU A 95 2.889 9.610 20.962 1.00 63.54 N ATOM 333 CA LEU A 95 3.360 10.758 21.733 1.00 61.30 C ATOM 334 C LEU A 95 2.296 11.823 21.901 1.00 63.25 C ATOM 335 O LEU A 95 1.428 11.991 21.035 1.00 62.05 O ATOM 336 CB LEU A 95 4.591 11.398 21.060 1.00 58.32 C ATOM 337 CG LEU A 95 5.888 10.588 20.992 1.00 65.56 C ATOM 338 CD1 LEU A 95 6.897 11.287 20.104 1.00 63.21 C ATOM 339 CD2 LEU A 95 6.486 10.368 22.380 1.00 70.77 C ATOM 340 H LEU A 95 2.407 9.795 20.059 1.00 0.00 H ATOM 341 N ASP A 96 2.389 12.555 23.025 1.00 59.74 N ATOM 342 CA ASP A 96 1.495 13.664 23.343 1.00 57.51 C ATOM 343 C ASP A 96 1.846 14.833 22.404 1.00 57.12 C ATOM 344 O ASP A 96 3.023 15.155 22.265 1.00 54.70 O ATOM 345 CB ASP A 96 1.625 14.008 24.847 1.00 59.87 C ATOM 346 CG ASP A 96 1.402 15.435 25.318 1.00 64.13 C ATOM 347 OD1 ASP A 96 0.572 16.147 24.706 1.00 61.94 O ATOM 348 OD2 ASP A 96 1.944 15.793 26.386 1.00 71.11 O ATOM 349 H ASP A 96 3.139 12.318 23.705 1.00 0.00 H ATOM 350 N PRO A 97 0.851 15.467 21.721 1.00 52.42 N ATOM 351 CA PRO A 97 1.173 16.581 20.816 1.00 47.71 C ATOM 352 C PRO A 97 1.910 17.780 21.433 1.00 49.15 C ATOM 353 O PRO A 97 2.578 18.522 20.710 1.00 46.15 O ATOM 354 CB PRO A 97 -0.199 16.990 20.277 1.00 50.21 C ATOM 355 CG PRO A 97 -1.171 16.555 21.336 1.00 58.28 C ATOM 356 CD PRO A 97 -0.611 15.228 21.747 1.00 56.70 C ATOM 357 N ALA A 98 1.775 17.983 22.745 1.00 46.45 N ATOM 358 CA ALA A 98 2.400 19.075 23.497 1.00 45.66 C ATOM 359 C ALA A 98 3.576 18.569 24.368 1.00 50.65 C ATOM 360 O ALA A 98 4.024 19.279 25.261 1.00 49.88 O ATOM 361 CB ALA A 98 1.345 19.773 24.375 1.00 47.46 C ATOM 362 H ALA A 98 1.180 17.315 23.275 1.00 0.00 H ATOM 363 N SER A 99 4.114 17.376 24.071 1.00 48.44 N ATOM 364 CA SER A 99 5.228 16.837 24.853 1.00 49.32 C ATOM 365 C SER A 99 6.594 17.354 24.390 1.00 49.48 C ATOM 366 O SER A 99 6.728 17.863 23.281 1.00 45.04 O ATOM 367 CB SER A 99 5.207 15.310 24.827 1.00 54.42 C ATOM 368 OG SER A 99 5.382 14.840 23.499 1.00 54.07 O ATOM 369 HG SER A 99 4.650 15.185 22.929 1.00 0.00 H ATOM 370 H SER A 99 3.734 16.827 23.274 1.00 0.00 H ATOM 371 N ILE A 100 7.620 17.181 25.243 1.00 48.60 N ATOM 372 CA ILE A 100 9.011 17.540 24.944 1.00 46.97 C ATOM 373 C ILE A 100 9.555 16.713 23.755 1.00 50.32 C ATOM 374 O ILE A 100 10.359 17.239 22.990 1.00 47.18 O ATOM 375 CB ILE A 100 9.913 17.464 26.222 1.00 51.71 C ATOM 376 CG1 ILE A 100 11.365 17.940 25.976 1.00 50.49 C ATOM 377 CG2 ILE A 100 9.909 16.056 26.846 1.00 57.66 C ATOM 378 CD1 ILE A 100 11.532 19.362 25.615 1.00 50.10 C ATOM 379 H ILE A 100 7.414 16.766 26.174 1.00 0.00 H ATOM 380 N SER A 101 9.120 15.425 23.606 1.00 49.21 N ATOM 381 CA SER A 101 9.567 14.555 22.492 1.00 48.98 C ATOM 382 C SER A 101 9.101 15.099 21.152 1.00 48.56 C ATOM 383 O SER A 101 9.866 15.085 20.208 1.00 47.91 O ATOM 384 CB SER A 101 9.060 13.124 22.659 1.00 56.51 C ATOM 385 OG SER A 101 9.484 12.535 23.874 1.00 67.38 O ATOM 386 HG SER A 101 9.144 13.069 24.635 1.00 0.00 H ATOM 387 H SER A 101 8.449 15.041 24.302 1.00 0.00 H ATOM 388 N VAL A 102 7.859 15.606 21.079 1.00 45.49 N ATOM 389 CA VAL A 102 7.278 16.195 19.863 1.00 43.69 C ATOM 390 C VAL A 102 7.963 17.524 19.531 1.00 44.32 C ATOM 391 O VAL A 102 8.157 17.835 18.344 1.00 43.45 O ATOM 392 CB VAL A 102 5.728 16.298 19.965 1.00 47.49 C ATOM 393 CG1 VAL A 102 5.146 17.126 18.832 1.00 44.75 C ATOM 394 CG2 VAL A 102 5.101 14.908 19.968 1.00 50.33 C ATOM 395 H VAL A 102 7.271 15.580 21.937 1.00 0.00 H ATOM 396 N LEU A 103 8.347 18.300 20.575 1.00 40.43 N ATOM 397 CA LEU A 103 9.070 19.561 20.381 1.00 38.45 C ATOM 398 C LEU A 103 10.456 19.246 19.758 1.00 42.07 C ATOM 399 O LEU A 103 10.889 19.961 18.866 1.00 39.98 O ATOM 400 CB LEU A 103 9.226 20.328 21.706 1.00 38.05 C ATOM 401 CG LEU A 103 9.971 21.687 21.658 1.00 40.63 C ATOM 402 CD1 LEU A 103 9.385 22.650 20.609 1.00 37.85 C ATOM 403 CD2 LEU A 103 9.957 22.349 23.031 1.00 42.13 C ATOM 404 H LEU A 103 8.122 17.991 21.542 1.00 0.00 H ATOM 405 N ILE A 104 11.114 18.162 20.232 1.00 40.18 N ATOM 406 CA ILE A 104 12.393 17.668 19.717 1.00 40.90 C ATOM 407 C ILE A 104 12.216 17.261 18.228 1.00 44.56 C ATOM 408 O ILE A 104 13.060 17.606 17.397 1.00 42.29 O ATOM 409 CB ILE A 104 12.989 16.526 20.603 1.00 45.97 C ATOM 410 CG1 ILE A 104 13.380 17.058 22.008 1.00 46.79 C ATOM 411 CG2 ILE A 104 14.215 15.866 19.921 1.00 47.86 C ATOM 412 CD1 ILE A 104 13.663 15.937 23.127 1.00 52.44 C ATOM 413 H ILE A 104 10.679 17.641 21.020 1.00 0.00 H ATOM 414 N ILE A 105 11.101 16.566 17.905 1.00 43.62 N ATOM 415 CA ILE A 105 10.751 16.172 16.533 1.00 44.46 C ATOM 416 C ILE A 105 10.580 17.428 15.648 1.00 44.78 C ATOM 417 O ILE A 105 11.130 17.458 14.551 1.00 44.25 O ATOM 418 CB ILE A 105 9.516 15.227 16.499 1.00 49.64 C ATOM 419 CG1 ILE A 105 9.897 13.833 17.035 1.00 52.96 C ATOM 420 CG2 ILE A 105 8.915 15.096 15.072 1.00 51.37 C ATOM 421 CD1 ILE A 105 8.733 13.053 17.537 1.00 57.74 C ATOM 422 H ILE A 105 10.454 16.295 18.672 1.00 0.00 H ATOM 423 N ALA A 106 9.871 18.472 16.155 1.00 39.67 N ATOM 424 CA ALA A 106 9.650 19.738 15.432 1.00 35.89 C ATOM 425 C ALA A 106 10.981 20.408 15.137 1.00 39.78 C ATOM 426 O ALA A 106 11.168 20.950 14.039 1.00 39.74 O ATOM 427 CB ALA A 106 8.755 20.670 16.242 1.00 34.65 C ATOM 428 H ALA A 106 9.462 18.372 17.106 1.00 0.00 H ATOM 429 N TRP A 107 11.915 20.360 16.114 1.00 36.95 N ATOM 430 CA TRP A 107 13.272 20.896 15.961 1.00 36.58 C ATOM 431 C TRP A 107 13.988 20.165 14.799 1.00 41.61 C ATOM 432 O TRP A 107 14.526 20.809 13.901 1.00 40.97 O ATOM 433 CB TRP A 107 14.044 20.752 17.292 1.00 36.28 C ATOM 434 CG TRP A 107 15.516 21.046 17.197 1.00 37.35 C ATOM 435 CD1 TRP A 107 16.087 22.215 16.794 1.00 38.78 C ATOM 436 CD2 TRP A 107 16.590 20.216 17.667 1.00 39.38 C ATOM 437 NE1 TRP A 107 17.454 22.132 16.894 1.00 39.81 N ATOM 438 CE2 TRP A 107 17.793 20.918 17.429 1.00 42.78 C ATOM 439 CE3 TRP A 107 16.662 18.904 18.183 1.00 42.96 C ATOM 440 CZ2 TRP A 107 19.050 20.367 17.697 1.00 44.77 C ATOM 441 CZ3 TRP A 107 17.911 18.356 18.439 1.00 46.83 C ATOM 442 CH2 TRP A 107 19.088 19.086 18.197 1.00 47.61 C ATOM 443 HE1 TRP A 107 18.125 22.873 16.609 1.00 0.00 H ATOM 444 H TRP A 107 11.658 19.920 17.021 1.00 0.00 H ATOM 445 N LYS A 108 13.916 18.831 14.782 1.00 40.53 N ATOM 446 CA LYS A 108 14.543 18.005 13.737 1.00 40.79 C ATOM 447 C LYS A 108 13.902 18.200 12.367 1.00 43.97 C ATOM 448 O LYS A 108 14.552 17.951 11.365 1.00 43.52 O ATOM 449 CB LYS A 108 14.558 16.514 14.117 1.00 43.60 C ATOM 450 CG LYS A 108 15.457 16.166 15.313 1.00 44.43 C ATOM 451 CD LYS A 108 16.937 16.538 15.149 1.00 48.77 C ATOM 452 CE LYS A 108 17.645 15.841 14.007 1.00 53.31 C ATOM 453 NZ LYS A 108 18.999 16.395 13.832 1.00 58.51 N ATOM 454 HZ1 LYS A 108 18.932 17.411 13.621 1.00 0.00 H ATOM 455 HZ2 LYS A 108 19.545 16.256 14.706 1.00 0.00 H ATOM 456 HZ3 LYS A 108 19.473 15.907 13.045 1.00 0.00 H ATOM 457 H LYS A 108 13.392 18.353 15.543 1.00 0.00 H ATOM 458 N PHE A 109 12.633 18.632 12.340 1.00 39.96 N ATOM 459 CA PHE A 109 11.885 18.902 11.115 1.00 39.57 C ATOM 460 C PHE A 109 12.053 20.365 10.746 1.00 42.68 C ATOM 461 O PHE A 109 11.433 20.814 9.782 1.00 43.86 O ATOM 462 CB PHE A 109 10.385 18.563 11.329 1.00 41.05 C ATOM 463 CG PHE A 109 9.994 17.157 10.898 1.00 43.99 C ATOM 464 CD1 PHE A 109 10.127 16.084 11.767 1.00 46.47 C ATOM 465 CD2 PHE A 109 9.471 16.920 9.632 1.00 44.86 C ATOM 466 CE1 PHE A 109 9.773 14.790 11.367 1.00 49.57 C ATOM 467 CE2 PHE A 109 9.094 15.632 9.241 1.00 49.26 C ATOM 468 CZ PHE A 109 9.253 14.573 10.111 1.00 49.16 C ATOM 469 H PHE A 109 12.151 18.784 13.249 1.00 0.00 H ATOM 470 N ARG A 110 12.844 21.134 11.553 1.00 37.25 N ATOM 471 CA ARG A 110 13.073 22.581 11.401 1.00 35.38 C ATOM 472 C ARG A 110 11.690 23.318 11.257 1.00 36.62 C ATOM 473 O ARG A 110 11.597 24.293 10.510 1.00 34.12 O ATOM 474 CB ARG A 110 14.004 22.891 10.185 1.00 34.45 C ATOM 475 CG ARG A 110 15.271 22.032 10.054 1.00 36.01 C ATOM 476 CD ARG A 110 15.880 22.218 8.656 1.00 47.73 C ATOM 477 NE ARG A 110 17.051 21.371 8.382 1.00 42.82 N ATOM 478 CZ ARG A 110 18.282 21.676 8.766 1.00 52.76 C ATOM 479 NH1 ARG A 110 18.516 22.792 9.438 1.00 43.42 N ATOM 480 NH2 ARG A 110 19.293 20.877 8.465 1.00 41.10 N ATOM 481 HE ARG A 110 16.905 20.484 7.858 1.00 0.00 H ATOM 482 HH12 ARG A 110 19.484 23.026 9.737 1.00 0.00 H ATOM 483 HH11 ARG A 110 17.732 23.435 9.667 1.00 0.00 H ATOM 484 HH22 ARG A 110 20.257 21.121 8.769 1.00 0.00 H ATOM 485 HH21 ARG A 110 19.123 20.005 7.925 1.00 0.00 H ATOM 486 H ARG A 110 13.325 20.657 12.342 1.00 0.00 H ATOM 487 N ALA A 111 10.618 22.821 11.939 1.00 33.28 N ATOM 488 CA ALA A 111 9.266 23.422 11.823 1.00 33.43 C ATOM 489 C ALA A 111 9.299 24.902 12.168 1.00 34.26 C ATOM 490 O ALA A 111 10.017 25.304 13.075 1.00 33.28 O ATOM 491 CB ALA A 111 8.277 22.697 12.717 1.00 34.85 C ATOM 492 H ALA A 111 10.752 21.997 12.559 1.00 0.00 H ATOM 493 N ALA A 112 8.594 25.721 11.413 1.00 30.86 N ATOM 494 CA ALA A 112 8.624 27.162 11.667 1.00 29.74 C ATOM 495 C ALA A 112 7.792 27.580 12.887 1.00 31.62 C ATOM 496 O ALA A 112 8.208 28.451 13.652 1.00 30.67 O ATOM 497 CB ALA A 112 8.142 27.910 10.425 1.00 30.60 C ATOM 498 H ALA A 112 8.016 25.343 10.636 1.00 0.00 H ATOM 499 N THR A 113 6.590 27.013 13.044 1.00 29.02 N ATOM 500 CA THR A 113 5.668 27.482 14.081 1.00 27.76 C ATOM 501 C THR A 113 4.884 26.353 14.675 1.00 32.70 C ATOM 502 O THR A 113 4.432 25.476 13.932 1.00 32.25 O ATOM 503 CB THR A 113 4.693 28.537 13.442 1.00 35.99 C ATOM 504 OG1 THR A 113 5.461 29.545 12.801 1.00 34.31 O ATOM 505 CG2 THR A 113 3.730 29.205 14.478 1.00 35.30 C ATOM 506 HG1 THR A 113 6.044 29.988 13.467 1.00 0.00 H ATOM 507 H THR A 113 6.307 26.229 12.422 1.00 0.00 H ATOM 508 N GLN A 114 4.646 26.423 16.017 1.00 29.03 N ATOM 509 CA GLN A 114 3.819 25.456 16.731 1.00 30.25 C ATOM 510 C GLN A 114 2.414 25.481 16.121 1.00 32.65 C ATOM 511 O GLN A 114 1.903 26.561 15.799 1.00 28.12 O ATOM 512 CB GLN A 114 3.761 25.772 18.259 1.00 30.79 C ATOM 513 CG GLN A 114 3.217 27.190 18.616 1.00 27.34 C ATOM 514 CD GLN A 114 2.588 27.244 19.998 1.00 35.46 C ATOM 515 OE1 GLN A 114 1.835 26.349 20.381 1.00 30.78 O ATOM 516 NE2 GLN A 114 2.806 28.320 20.746 1.00 25.17 N ATOM 517 HE22 GLN A 114 3.445 29.067 20.408 1.00 0.00 H ATOM 518 HE21 GLN A 114 2.337 28.415 21.670 1.00 0.00 H ATOM 519 H GLN A 114 5.074 27.202 16.556 1.00 0.00 H ATOM 520 N CYS A 115 1.826 24.279 15.934 1.00 31.93 N ATOM 521 CA CYS A 115 0.468 24.038 15.426 1.00 33.80 C ATOM 522 C CYS A 115 0.340 24.273 13.918 1.00 38.69 C ATOM 523 O CYS A 115 -0.770 24.340 13.394 1.00 40.05 O ATOM 524 CB CYS A 115 -0.562 24.833 16.230 1.00 34.68 C ATOM 525 SG CYS A 115 -0.405 24.618 18.024 1.00 38.66 S ATOM 526 H CYS A 115 2.391 23.440 16.174 1.00 0.00 H ATOM 527 N GLU A 116 1.481 24.347 13.226 1.00 34.32 N ATOM 528 CA GLU A 116 1.584 24.541 11.786 1.00 35.63 C ATOM 529 C GLU A 116 2.604 23.516 11.315 1.00 37.99 C ATOM 530 O GLU A 116 3.651 23.366 11.943 1.00 35.62 O ATOM 531 CB GLU A 116 2.110 25.973 11.471 1.00 36.09 C ATOM 532 CG GLU A 116 1.089 27.092 11.596 1.00 47.05 C ATOM 533 CD GLU A 116 1.572 28.438 11.069 1.00 78.14 C ATOM 534 OE1 GLU A 116 1.039 29.481 11.517 1.00 70.69 O ATOM 535 OE2 GLU A 116 2.479 28.452 10.203 1.00 76.71 O ATOM 536 H GLU A 116 2.369 24.259 13.760 1.00 0.00 H ATOM 537 N PHE A 117 2.307 22.813 10.220 1.00 35.97 N ATOM 538 CA PHE A 117 3.194 21.787 9.667 1.00 35.63 C ATOM 539 C PHE A 117 2.913 21.713 8.179 1.00 39.15 C ATOM 540 O PHE A 117 1.861 21.260 7.769 1.00 40.00 O ATOM 541 CB PHE A 117 2.954 20.426 10.366 1.00 37.94 C ATOM 542 CG PHE A 117 4.024 19.364 10.273 1.00 39.60 C ATOM 543 CD1 PHE A 117 5.308 19.677 9.831 1.00 41.21 C ATOM 544 CD2 PHE A 117 3.756 18.050 10.649 1.00 43.33 C ATOM 545 CE1 PHE A 117 6.296 18.687 9.734 1.00 42.97 C ATOM 546 CE2 PHE A 117 4.744 17.063 10.564 1.00 47.28 C ATOM 547 CZ PHE A 117 6.008 17.386 10.109 1.00 44.59 C ATOM 548 H PHE A 117 1.405 23.002 9.738 1.00 0.00 H ATOM 549 N SER A 118 3.806 22.255 7.374 1.00 34.96 N ATOM 550 CA SER A 118 3.561 22.290 5.937 1.00 35.61 C ATOM 551 C SER A 118 4.028 20.989 5.221 1.00 40.53 C ATOM 552 O SER A 118 4.794 20.199 5.787 1.00 39.30 O ATOM 553 CB SER A 118 4.265 23.508 5.344 1.00 36.41 C ATOM 554 OG SER A 118 5.665 23.291 5.427 1.00 42.62 O ATOM 555 HG SER A 118 6.142 24.071 5.047 1.00 0.00 H ATOM 556 H SER A 118 4.683 22.657 7.763 1.00 0.00 H ATOM 557 N LYS A 119 3.586 20.810 3.963 1.00 39.39 N ATOM 558 CA LYS A 119 3.990 19.715 3.075 1.00 41.45 C ATOM 559 C LYS A 119 5.511 19.747 2.892 1.00 44.29 C ATOM 560 O LYS A 119 6.162 18.708 3.018 1.00 43.90 O ATOM 561 CB LYS A 119 3.285 19.829 1.704 1.00 45.14 C ATOM 562 CG LYS A 119 3.481 18.600 0.818 1.00 48.81 C ATOM 563 CD LYS A 119 2.578 18.628 -0.402 1.00 49.09 C ATOM 564 CE LYS A 119 2.702 17.341 -1.181 1.00 63.29 C ATOM 565 NZ LYS A 119 1.711 17.276 -2.285 1.00 75.27 N ATOM 566 HZ1 LYS A 119 0.750 17.332 -1.891 1.00 0.00 H ATOM 567 HZ2 LYS A 119 1.866 18.072 -2.936 1.00 0.00 H ATOM 568 HZ3 LYS A 119 1.825 16.379 -2.799 1.00 0.00 H ATOM 569 H LYS A 119 2.905 21.502 3.591 1.00 0.00 H ATOM 570 N GLN A 120 6.073 20.951 2.629 1.00 40.55 N ATOM 571 CA GLN A 120 7.516 21.174 2.499 1.00 39.50 C ATOM 572 C GLN A 120 8.241 20.669 3.770 1.00 42.21 C ATOM 573 O GLN A 120 9.142 19.842 3.648 1.00 40.84 O ATOM 574 CB GLN A 120 7.817 22.665 2.208 1.00 39.45 C ATOM 575 CG GLN A 120 9.319 23.032 2.207 1.00 40.63 C ATOM 576 CD GLN A 120 9.850 23.365 3.599 1.00 46.31 C ATOM 577 OE1 GLN A 120 9.347 24.253 4.325 1.00 39.54 O ATOM 578 NE2 GLN A 120 10.906 22.684 3.992 1.00 34.24 N ATOM 579 HE22 GLN A 120 11.310 21.950 3.376 1.00 0.00 H ATOM 580 HE21 GLN A 120 11.336 22.880 4.919 1.00 0.00 H ATOM 581 H GLN A 120 5.441 21.769 2.512 1.00 0.00 H ATOM 582 N GLU A 121 7.844 21.151 4.976 1.00 38.71 N ATOM 583 CA GLU A 121 8.455 20.697 6.248 1.00 37.58 C ATOM 584 C GLU A 121 8.381 19.158 6.453 1.00 43.55 C ATOM 585 O GLU A 121 9.392 18.529 6.786 1.00 41.65 O ATOM 586 CB GLU A 121 7.851 21.412 7.456 1.00 36.56 C ATOM 587 CG GLU A 121 8.149 22.901 7.506 1.00 41.20 C ATOM 588 CD GLU A 121 7.311 23.701 8.490 1.00 42.76 C ATOM 589 OE1 GLU A 121 6.217 23.240 8.880 1.00 38.65 O ATOM 590 OE2 GLU A 121 7.745 24.814 8.851 1.00 34.86 O ATOM 591 H GLU A 121 7.086 21.862 5.008 1.00 0.00 H ATOM 592 N PHE A 122 7.183 18.572 6.267 1.00 41.98 N ATOM 593 CA PHE A 122 6.971 17.132 6.391 1.00 43.85 C ATOM 594 C PHE A 122 7.861 16.346 5.412 1.00 49.01 C ATOM 595 O PHE A 122 8.645 15.500 5.856 1.00 49.23 O ATOM 596 CB PHE A 122 5.489 16.767 6.209 1.00 47.05 C ATOM 597 CG PHE A 122 5.214 15.284 6.334 1.00 51.24 C ATOM 598 CD1 PHE A 122 4.941 14.712 7.570 1.00 53.32 C ATOM 599 CD2 PHE A 122 5.253 14.452 5.213 1.00 55.26 C ATOM 600 CE1 PHE A 122 4.709 13.338 7.684 1.00 56.79 C ATOM 601 CE2 PHE A 122 5.038 13.078 5.334 1.00 60.70 C ATOM 602 CZ PHE A 122 4.750 12.534 6.566 1.00 58.80 C ATOM 603 H PHE A 122 6.370 19.173 6.023 1.00 0.00 H ATOM 604 N MET A 123 7.774 16.664 4.102 1.00 45.65 N ATOM 605 CA MET A 123 8.528 15.971 3.049 1.00 46.82 C ATOM 606 C MET A 123 10.032 16.107 3.216 1.00 50.73 C ATOM 607 O MET A 123 10.720 15.081 3.248 1.00 51.38 O ATOM 608 CB MET A 123 8.080 16.388 1.628 1.00 49.51 C ATOM 609 CG MET A 123 6.619 16.039 1.309 1.00 53.64 C ATOM 610 SD MET A 123 6.220 14.282 1.377 1.00 60.41 S ATOM 611 CE MET A 123 6.790 13.767 -0.220 1.00 60.46 C ATOM 612 H MET A 123 7.140 17.440 3.824 1.00 0.00 H ATOM 613 N ASP A 124 10.538 17.348 3.362 1.00 45.14 N ATOM 614 CA ASP A 124 11.967 17.606 3.535 1.00 45.04 C ATOM 615 C ASP A 124 12.538 17.005 4.813 1.00 48.39 C ATOM 616 O ASP A 124 13.667 16.540 4.791 1.00 48.68 O ATOM 617 CB ASP A 124 12.269 19.108 3.496 1.00 45.11 C ATOM 618 CG ASP A 124 12.041 19.779 2.154 1.00 51.64 C ATOM 619 OD1 ASP A 124 11.778 19.067 1.172 1.00 54.19 O ATOM 620 OD2 ASP A 124 12.079 21.018 2.105 1.00 51.49 O ATOM 621 H ASP A 124 9.884 18.157 3.351 1.00 0.00 H ATOM 622 N GLY A 125 11.785 17.077 5.914 1.00 44.48 N ATOM 623 CA GLY A 125 12.201 16.554 7.212 1.00 44.39 C ATOM 624 C GLY A 125 12.330 15.043 7.205 1.00 51.35 C ATOM 625 O GLY A 125 13.330 14.500 7.678 1.00 52.97 O ATOM 626 H GLY A 125 10.852 17.530 5.843 1.00 0.00 H ATOM 627 N MET A 126 11.338 14.352 6.629 1.00 48.34 N ATOM 628 CA MET A 126 11.348 12.888 6.529 1.00 50.70 C ATOM 629 C MET A 126 12.467 12.417 5.607 1.00 56.79 C ATOM 630 O MET A 126 13.159 11.462 5.945 1.00 59.99 O ATOM 631 CB MET A 126 10.002 12.356 6.038 1.00 54.12 C ATOM 632 CG MET A 126 8.885 12.469 7.042 1.00 56.20 C ATOM 633 SD MET A 126 8.992 11.305 8.419 1.00 62.05 S ATOM 634 CE MET A 126 8.356 9.810 7.658 1.00 62.14 C ATOM 635 H MET A 126 10.528 14.874 6.237 1.00 0.00 H ATOM 636 N THR A 127 12.674 13.115 4.472 1.00 52.28 N ATOM 637 CA THR A 127 13.741 12.827 3.518 1.00 53.92 C ATOM 638 C THR A 127 15.089 13.020 4.223 1.00 57.45 C ATOM 639 O THR A 127 15.892 12.097 4.217 1.00 57.90 O ATOM 640 CB THR A 127 13.585 13.677 2.237 1.00 58.86 C ATOM 641 OG1 THR A 127 12.254 13.519 1.748 1.00 59.18 O ATOM 642 CG2 THR A 127 14.590 13.284 1.126 1.00 54.41 C ATOM 643 HG1 THR A 127 11.612 13.824 2.437 1.00 0.00 H ATOM 644 H THR A 127 12.034 13.908 4.263 1.00 0.00 H ATOM 645 N GLU A 128 15.299 14.178 4.895 1.00 52.34 N ATOM 646 CA GLU A 128 16.547 14.437 5.618 1.00 52.98 C ATOM 647 C GLU A 128 16.852 13.381 6.689 1.00 59.95 C ATOM 648 O GLU A 128 18.002 12.973 6.832 1.00 62.12 O ATOM 649 CB GLU A 128 16.555 15.836 6.230 1.00 51.23 C ATOM 650 CG GLU A 128 17.931 16.474 6.206 1.00 60.70 C ATOM 651 CD GLU A 128 18.031 17.853 6.832 1.00 70.68 C ATOM 652 OE1 GLU A 128 16.995 18.549 6.936 1.00 60.42 O ATOM 653 OE2 GLU A 128 19.155 18.237 7.225 1.00 61.39 O ATOM 654 H GLU A 128 14.554 14.903 4.898 1.00 0.00 H ATOM 655 N LEU A 129 15.817 12.912 7.398 1.00 56.94 N ATOM 656 CA LEU A 129 15.945 11.896 8.437 1.00 58.83 C ATOM 657 C LEU A 129 15.981 10.461 7.888 1.00 67.07 C ATOM 658 O LEU A 129 16.105 9.516 8.673 1.00 69.35 O ATOM 659 CB LEU A 129 14.842 12.069 9.503 1.00 57.32 C ATOM 660 CG LEU A 129 14.945 13.325 10.376 1.00 59.20 C ATOM 661 CD1 LEU A 129 13.582 13.713 10.950 1.00 57.15 C ATOM 662 CD2 LEU A 129 15.987 13.157 11.478 1.00 62.98 C ATOM 663 H LEU A 129 14.870 13.293 7.197 1.00 0.00 H ATOM 664 N GLY A 130 15.895 10.319 6.555 1.00 63.87 N ATOM 665 CA GLY A 130 15.915 9.035 5.850 1.00 66.72 C ATOM 666 C GLY A 130 14.748 8.129 6.188 1.00 72.31 C ATOM 667 O GLY A 130 14.899 6.901 6.195 1.00 76.16 O ATOM 668 H GLY A 130 15.808 11.183 5.982 1.00 0.00 H ATOM 669 N CYS A 131 13.568 8.735 6.458 1.00 65.90 N ATOM 670 CA CYS A 131 12.341 8.046 6.863 1.00 67.06 C ATOM 671 C CYS A 131 11.226 8.133 5.842 1.00 69.55 C ATOM 672 O CYS A 131 10.886 9.230 5.402 1.00 65.83 O ATOM 673 CB CYS A 131 11.873 8.563 8.221 1.00 65.74 C ATOM 674 SG CYS A 131 13.081 8.337 9.544 1.00 70.87 S ATOM 675 H CYS A 131 13.530 9.771 6.371 1.00 0.00 H ATOM 676 N ASP A 132 10.620 6.981 5.510 1.00 69.03 N ATOM 677 CA ASP A 132 9.476 6.894 4.593 1.00 70.02 C ATOM 678 C ASP A 132 8.283 6.205 5.283 1.00 76.52 C ATOM 679 O ASP A 132 7.283 5.866 4.642 1.00 78.46 O ATOM 680 CB ASP A 132 9.860 6.207 3.268 1.00 74.62 C ATOM 681 CG ASP A 132 10.536 4.856 3.402 1.00 86.53 C ATOM 682 OD1 ASP A 132 10.393 4.216 4.469 1.00 89.27 O ATOM 683 OD2 ASP A 132 11.194 4.432 2.441 1.00 92.22 O ATOM 684 H ASP A 132 10.982 6.099 5.927 1.00 0.00 H ATOM 685 N SER A 133 8.405 6.014 6.605 1.00 72.46 N ATOM 686 CA SER A 133 7.395 5.394 7.452 1.00 74.32 C ATOM 687 C SER A 133 7.475 5.982 8.857 1.00 76.19 C ATOM 688 O SER A 133 8.517 6.524 9.240 1.00 72.40 O ATOM 689 CB SER A 133 7.600 3.882 7.497 1.00 80.93 C ATOM 690 OG SER A 133 8.828 3.557 8.126 1.00 86.22 O ATOM 691 HG SER A 133 8.938 2.573 8.143 1.00 0.00 H ATOM 692 H SER A 133 9.285 6.332 7.059 1.00 0.00 H ATOM 693 N ILE A 134 6.384 5.862 9.628 1.00 75.89 N ATOM 694 CA ILE A 134 6.309 6.378 11.005 1.00 74.42 C ATOM 695 C ILE A 134 7.249 5.589 11.932 1.00 81.46 C ATOM 696 O ILE A 134 7.906 6.195 12.775 1.00 79.72 O ATOM 697 CB ILE A 134 4.832 6.447 11.493 1.00 78.13 C ATOM 698 CG1 ILE A 134 4.102 7.669 10.885 1.00 75.52 C ATOM 699 CG2 ILE A 134 4.667 6.369 13.025 1.00 79.12 C ATOM 700 CD1 ILE A 134 4.669 9.120 11.216 1.00 76.47 C ATOM 701 H ILE A 134 5.550 5.381 9.234 1.00 0.00 H ATOM 702 N GLU A 135 7.330 4.258 11.740 1.00 82.28 N ATOM 703 CA GLU A 135 8.205 3.344 12.485 1.00 85.16 C ATOM 704 C GLU A 135 9.687 3.705 12.348 1.00 86.69 C ATOM 705 O GLU A 135 10.408 3.660 13.347 1.00 87.43 O ATOM 706 CB GLU A 135 7.945 1.869 12.121 1.00 91.93 C ATOM 707 CG GLU A 135 7.790 1.578 10.636 1.00107.78 C ATOM 708 CD GLU A 135 6.361 1.569 10.125 1.00134.80 C ATOM 709 OE1 GLU A 135 5.731 2.652 10.088 1.00122.86 O ATOM 710 OE2 GLU A 135 5.879 0.479 9.742 1.00136.33 O ATOM 711 H GLU A 135 6.723 3.844 11.004 1.00 0.00 H ATOM 712 N LYS A 136 10.129 4.103 11.126 1.00 79.68 N ATOM 713 CA LYS A 136 11.498 4.561 10.863 1.00 77.11 C ATOM 714 C LYS A 136 11.756 5.848 11.628 1.00 75.16 C ATOM 715 O LYS A 136 12.822 5.997 12.217 1.00 75.04 O ATOM 716 CB LYS A 136 11.736 4.789 9.366 1.00 79.15 C ATOM 717 CG LYS A 136 12.202 3.550 8.643 1.00 84.60 C ATOM 718 CD LYS A 136 12.418 3.784 7.164 1.00 83.37 C ATOM 719 CE LYS A 136 12.654 2.452 6.483 1.00 88.05 C ATOM 720 NZ LYS A 136 12.790 2.589 5.009 1.00 95.63 N ATOM 721 HZ1 LYS A 136 11.919 3.001 4.619 1.00 0.00 H ATOM 722 HZ2 LYS A 136 13.596 3.210 4.793 1.00 0.00 H ATOM 723 HZ3 LYS A 136 12.950 1.651 4.588 1.00 0.00 H ATOM 724 H LYS A 136 9.458 4.082 10.331 1.00 0.00 H ATOM 725 N LEU A 137 10.767 6.764 11.651 1.00 67.29 N ATOM 726 CA LEU A 137 10.865 8.026 12.386 1.00 62.58 C ATOM 727 C LEU A 137 10.885 7.775 13.906 1.00 66.49 C ATOM 728 O LEU A 137 11.720 8.350 14.604 1.00 64.78 O ATOM 729 CB LEU A 137 9.749 8.998 11.967 1.00 59.57 C ATOM 730 CG LEU A 137 9.719 10.363 12.676 1.00 60.10 C ATOM 731 CD1 LEU A 137 10.960 11.177 12.373 1.00 58.33 C ATOM 732 CD2 LEU A 137 8.477 11.127 12.310 1.00 59.46 C ATOM 733 H LEU A 137 9.894 6.565 11.122 1.00 0.00 H ATOM 734 N LYS A 138 10.017 6.862 14.388 1.00 75.76 N ATOM 735 CA LYS A 138 9.894 6.432 15.786 1.00 75.13 C ATOM 736 C LYS A 138 11.232 5.912 16.314 1.00 76.84 C ATOM 737 O LYS A 138 11.584 6.200 17.458 1.00 75.22 O ATOM 738 CB LYS A 138 8.817 5.340 15.910 1.00 80.45 C ATOM 739 CG LYS A 138 7.878 5.498 17.102 1.00 91.95 C ATOM 740 CD LYS A 138 6.627 4.636 16.912 1.00102.17 C ATOM 741 CE LYS A 138 5.746 4.536 18.134 1.00109.08 C ATOM 742 NZ LYS A 138 6.301 3.617 19.164 1.00119.24 N ATOM 743 HZ1 LYS A 138 6.398 2.664 18.760 1.00 0.00 H ATOM 744 HZ2 LYS A 138 7.234 3.962 19.469 1.00 0.00 H ATOM 745 HZ3 LYS A 138 5.658 3.585 19.981 1.00 0.00 H ATOM 746 H LYS A 138 9.372 6.420 13.702 1.00 0.00 H ATOM 747 N ALA A 139 11.990 5.189 15.455 1.00 73.71 N ATOM 748 CA ALA A 139 13.302 4.608 15.767 1.00 73.72 C ATOM 749 C ALA A 139 14.399 5.658 15.886 1.00 75.44 C ATOM 750 O ALA A 139 15.364 5.443 16.621 1.00 73.75 O ATOM 751 CB ALA A 139 13.683 3.566 14.718 1.00 76.74 C ATOM 752 H ALA A 139 11.613 5.033 14.498 1.00 0.00 H ATOM 753 N GLN A 140 14.256 6.785 15.155 1.00 71.93 N ATOM 754 CA GLN A 140 15.214 7.894 15.169 1.00 70.70 C ATOM 755 C GLN A 140 15.106 8.747 16.448 1.00 73.74 C ATOM 756 O GLN A 140 16.073 9.431 16.784 1.00 72.72 O ATOM 757 CB GLN A 140 15.039 8.798 13.928 1.00 71.88 C ATOM 758 CG GLN A 140 15.270 8.117 12.577 1.00 88.61 C ATOM 759 CD GLN A 140 16.723 8.031 12.187 1.00107.27 C ATOM 760 OE1 GLN A 140 17.522 7.300 12.784 1.00103.81 O ATOM 761 NE2 GLN A 140 17.085 8.743 11.139 1.00 97.09 N ATOM 762 HE22 GLN A 140 16.391 9.349 10.657 1.00 0.00 H ATOM 763 HE21 GLN A 140 18.065 8.699 10.794 1.00 0.00 H ATOM 764 H GLN A 140 13.417 6.871 14.547 1.00 0.00 H ATOM 765 N ILE A 141 13.939 8.714 17.148 1.00 70.69 N ATOM 766 CA ILE A 141 13.647 9.521 18.352 1.00 69.36 C ATOM 767 C ILE A 141 14.770 9.401 19.431 1.00 74.56 C ATOM 768 O ILE A 141 15.253 10.466 19.835 1.00 73.18 O ATOM 769 CB ILE A 141 12.211 9.272 18.914 1.00 72.51 C ATOM 770 CG1 ILE A 141 11.141 9.813 17.920 1.00 71.89 C ATOM 771 CG2 ILE A 141 12.024 9.884 20.321 1.00 72.27 C ATOM 772 CD1 ILE A 141 9.678 9.381 18.185 1.00 78.25 C ATOM 773 H ILE A 141 13.195 8.071 16.810 1.00 0.00 H ATOM 774 N PRO A 142 15.264 8.195 19.863 1.00 73.03 N ATOM 775 CA PRO A 142 16.357 8.173 20.860 1.00 73.49 C ATOM 776 C PRO A 142 17.642 8.869 20.388 1.00 76.65 C ATOM 777 O PRO A 142 18.315 9.513 21.199 1.00 76.60 O ATOM 778 CB PRO A 142 16.568 6.675 21.132 1.00 77.10 C ATOM 779 CG PRO A 142 15.293 6.022 20.707 1.00 82.02 C ATOM 780 CD PRO A 142 14.839 6.820 19.527 1.00 76.46 C ATOM 781 N LYS A 143 17.955 8.781 19.074 1.00 72.32 N ATOM 782 CA LYS A 143 19.113 9.442 18.456 1.00 71.58 C ATOM 783 C LYS A 143 18.952 10.973 18.521 1.00 72.71 C ATOM 784 O LYS A 143 19.934 11.679 18.759 1.00 71.96 O ATOM 785 CB LYS A 143 19.301 8.985 16.997 1.00 75.13 C ATOM 786 CG LYS A 143 19.683 7.502 16.842 1.00 92.72 C ATOM 787 CD LYS A 143 19.847 7.084 15.375 1.00104.83 C ATOM 788 CE LYS A 143 21.265 7.242 14.873 1.00121.04 C ATOM 789 NZ LYS A 143 21.370 6.997 13.410 1.00132.69 N ATOM 790 HZ1 LYS A 143 21.057 6.028 13.199 1.00 0.00 H ATOM 791 HZ2 LYS A 143 20.768 7.676 12.902 1.00 0.00 H ATOM 792 HZ3 LYS A 143 22.359 7.116 13.110 1.00 0.00 H ATOM 793 H LYS A 143 17.337 8.210 18.463 1.00 0.00 H ATOM 794 N MET A 144 17.710 11.473 18.338 1.00 67.80 N ATOM 795 CA MET A 144 17.380 12.912 18.406 1.00 66.51 C ATOM 796 C MET A 144 17.639 13.421 19.839 1.00 71.79 C ATOM 797 O MET A 144 18.295 14.448 20.014 1.00 70.97 O ATOM 798 CB MET A 144 15.910 13.176 18.014 1.00 67.56 C ATOM 799 CG MET A 144 15.534 12.718 16.625 1.00 71.02 C ATOM 800 SD MET A 144 13.801 13.076 16.226 1.00 73.76 S ATOM 801 CE MET A 144 13.727 12.431 14.601 1.00 71.64 C ATOM 802 H MET A 144 16.939 10.804 18.137 1.00 0.00 H ATOM 803 N GLU A 145 17.163 12.654 20.849 1.00 70.57 N ATOM 804 CA GLU A 145 17.283 12.924 22.287 1.00 71.84 C ATOM 805 C GLU A 145 18.746 13.012 22.714 1.00 77.04 C ATOM 806 O GLU A 145 19.109 13.942 23.438 1.00 78.16 O ATOM 807 CB GLU A 145 16.579 11.829 23.111 1.00 74.07 C ATOM 808 CG GLU A 145 15.059 11.825 23.038 1.00 82.50 C ATOM 809 CD GLU A 145 14.390 10.622 23.684 1.00101.16 C ATOM 810 OE1 GLU A 145 13.142 10.633 23.793 1.00 94.75 O ATOM 811 OE2 GLU A 145 15.100 9.661 24.063 1.00 94.44 O ATOM 812 H GLU A 145 16.661 11.785 20.578 1.00 0.00 H ATOM 813 N GLN A 146 19.570 12.040 22.270 1.00 73.02 N ATOM 814 CA GLN A 146 21.006 11.941 22.548 1.00 74.26 C ATOM 815 C GLN A 146 21.774 13.135 21.991 1.00 77.64 C ATOM 816 O GLN A 146 22.645 13.668 22.678 1.00 78.69 O ATOM 817 CB GLN A 146 21.578 10.629 21.986 1.00 76.09 C ATOM 818 H GLN A 146 19.149 11.295 21.678 1.00 0.00 H ATOM 819 N GLU A 147 21.423 13.580 20.766 1.00 72.41 N ATOM 820 CA GLU A 147 22.012 14.743 20.092 1.00 72.37 C ATOM 821 C GLU A 147 22.022 15.988 21.012 1.00 76.50 C ATOM 822 O GLU A 147 22.932 16.806 20.913 1.00 77.38 O ATOM 823 CB GLU A 147 21.246 15.028 18.788 1.00 72.59 C ATOM 824 CG GLU A 147 21.982 15.913 17.795 1.00 82.15 C ATOM 825 CD GLU A 147 21.214 16.269 16.535 1.00 91.23 C ATOM 826 OE1 GLU A 147 20.469 15.406 16.016 1.00 78.28 O ATOM 827 OE2 GLU A 147 21.392 17.407 16.044 1.00 84.10 O ATOM 828 H GLU A 147 20.678 13.059 20.261 1.00 0.00 H ATOM 829 N LEU A 148 21.043 16.090 21.936 1.00 72.32 N ATOM 830 CA LEU A 148 20.916 17.183 22.904 1.00 72.88 C ATOM 831 C LEU A 148 21.977 17.193 24.013 1.00 80.49 C ATOM 832 O LEU A 148 22.127 18.228 24.672 1.00 82.28 O ATOM 833 CB LEU A 148 19.511 17.218 23.537 1.00 71.91 C ATOM 834 CG LEU A 148 18.315 17.471 22.626 1.00 73.84 C ATOM 835 CD1 LEU A 148 17.032 17.261 23.384 1.00 73.42 C ATOM 836 CD2 LEU A 148 18.350 18.867 22.050 1.00 73.55 C ATOM 837 H LEU A 148 20.326 15.337 21.963 1.00 0.00 H ATOM 838 N LYS A 149 22.697 16.055 24.237 1.00 77.88 N ATOM 839 CA LYS A 149 23.743 15.939 25.272 1.00 79.61 C ATOM 840 C LYS A 149 24.866 16.964 25.081 1.00 83.84 C ATOM 841 O LYS A 149 25.450 17.426 26.065 1.00 85.25 O ATOM 842 CB LYS A 149 24.296 14.510 25.374 1.00 81.74 C ATOM 843 H LYS A 149 22.497 15.223 23.645 1.00 0.00 H ATOM 844 N GLU A 150 25.126 17.352 23.814 1.00 78.32 N ATOM 845 CA GLU A 150 26.101 18.377 23.449 1.00 79.35 C ATOM 846 C GLU A 150 25.501 19.774 23.815 1.00 83.46 C ATOM 847 O GLU A 150 24.363 20.078 23.419 1.00 80.08 O ATOM 848 CB GLU A 150 26.426 18.285 21.948 1.00 79.71 C ATOM 849 CG GLU A 150 26.980 16.930 21.531 1.00 91.44 C ATOM 850 CD GLU A 150 26.692 16.503 20.104 1.00111.65 C ATOM 851 OE1 GLU A 150 26.082 15.424 19.921 1.00 93.14 O ATOM 852 OE2 GLU A 150 27.094 17.232 19.168 1.00110.45 O ATOM 853 H GLU A 150 24.597 16.890 23.047 1.00 0.00 H ATOM 854 N PRO A 151 26.223 20.620 24.595 1.00 75.54 N ATOM 855 CA PRO A 151 25.657 21.932 24.979 1.00 70.83 C ATOM 856 C PRO A 151 25.370 22.873 23.797 1.00 69.02 C ATOM 857 O PRO A 151 24.444 23.693 23.874 1.00 63.68 O ATOM 858 CB PRO A 151 26.688 22.501 25.968 1.00 73.96 C ATOM 859 CG PRO A 151 27.531 21.330 26.380 1.00 82.62 C ATOM 860 CD PRO A 151 27.564 20.425 25.183 1.00 80.02 C ATOM 861 N GLY A 152 26.143 22.709 22.715 1.00 65.45 N ATOM 862 CA GLY A 152 25.995 23.454 21.469 1.00 62.80 C ATOM 863 C GLY A 152 24.682 23.128 20.782 1.00 60.72 C ATOM 864 O GLY A 152 23.991 24.023 20.285 1.00 57.10 O ATOM 865 H GLY A 152 26.902 22.000 22.767 1.00 0.00 H ATOM 866 N ARG A 153 24.310 21.839 20.808 1.00 55.45 N ATOM 867 CA ARG A 153 23.061 21.339 20.250 1.00 52.44 C ATOM 868 C ARG A 153 21.880 21.683 21.155 1.00 51.79 C ATOM 869 O ARG A 153 20.777 21.906 20.652 1.00 46.97 O ATOM 870 CB ARG A 153 23.146 19.826 19.986 1.00 54.89 C ATOM 871 CG ARG A 153 24.126 19.416 18.864 1.00 64.60 C ATOM 872 CD ARG A 153 23.727 19.971 17.505 1.00 63.83 C ATOM 873 H ARG A 153 24.953 21.155 21.254 1.00 0.00 H ATOM 874 N PHE A 154 22.105 21.739 22.491 1.00 48.95 N ATOM 875 CA PHE A 154 21.034 22.107 23.403 1.00 45.81 C ATOM 876 C PHE A 154 20.685 23.581 23.204 1.00 46.28 C ATOM 877 O PHE A 154 19.503 23.907 23.144 1.00 41.95 O ATOM 878 CB PHE A 154 21.316 21.779 24.887 1.00 48.08 C ATOM 879 CG PHE A 154 20.105 22.128 25.735 1.00 47.50 C ATOM 880 CD1 PHE A 154 19.034 21.246 25.845 1.00 50.87 C ATOM 881 CD2 PHE A 154 19.995 23.376 26.344 1.00 47.40 C ATOM 882 CE1 PHE A 154 17.884 21.600 26.565 1.00 49.79 C ATOM 883 CE2 PHE A 154 18.841 23.730 27.056 1.00 48.43 C ATOM 884 CZ PHE A 154 17.791 22.845 27.153 1.00 46.86 C ATOM 885 H PHE A 154 23.049 21.517 22.866 1.00 0.00 H ATOM 886 N LYS A 155 21.715 24.454 23.097 1.00 44.73 N ATOM 887 CA LYS A 155 21.566 25.892 22.856 1.00 43.95 C ATOM 888 C LYS A 155 20.781 26.078 21.549 1.00 46.85 C ATOM 889 O LYS A 155 19.902 26.933 21.493 1.00 44.62 O ATOM 890 CB LYS A 155 22.946 26.554 22.757 1.00 48.98 C ATOM 891 CG LYS A 155 22.921 28.064 22.602 1.00 66.08 C ATOM 892 CD LYS A 155 24.296 28.676 22.844 1.00 81.57 C ATOM 893 CE LYS A 155 24.393 29.296 24.221 1.00 97.28 C ATOM 894 NZ LYS A 155 25.703 29.965 24.429 1.00112.45 N ATOM 895 HZ1 LYS A 155 26.467 29.267 24.328 1.00 0.00 H ATOM 896 HZ2 LYS A 155 25.823 30.717 23.721 1.00 0.00 H ATOM 897 HZ3 LYS A 155 25.732 30.378 25.383 1.00 0.00 H ATOM 898 H LYS A 155 22.680 24.077 23.193 1.00 0.00 H ATOM 899 N ASP A 156 21.089 25.242 20.528 1.00 44.09 N ATOM 900 CA ASP A 156 20.424 25.207 19.229 1.00 43.57 C ATOM 901 C ASP A 156 18.926 24.882 19.386 1.00 40.32 C ATOM 902 O ASP A 156 18.096 25.632 18.908 1.00 36.27 O ATOM 903 CB ASP A 156 21.121 24.187 18.316 1.00 49.42 C ATOM 904 CG ASP A 156 20.725 24.325 16.870 1.00 70.94 C ATOM 905 OD1 ASP A 156 19.691 23.742 16.480 1.00 70.43 O ATOM 906 OD2 ASP A 156 21.445 25.022 16.125 1.00 87.82 O ATOM 907 H ASP A 156 21.865 24.568 20.683 1.00 0.00 H ATOM 908 N PHE A 157 18.589 23.794 20.094 1.00 37.91 N ATOM 909 CA PHE A 157 17.200 23.407 20.359 1.00 35.84 C ATOM 910 C PHE A 157 16.465 24.495 21.193 1.00 37.28 C ATOM 911 O PHE A 157 15.317 24.824 20.909 1.00 35.50 O ATOM 912 CB PHE A 157 17.175 22.038 21.076 1.00 38.54 C ATOM 913 CG PHE A 157 15.841 21.602 21.643 1.00 38.80 C ATOM 914 CD1 PHE A 157 14.788 21.257 20.803 1.00 41.40 C ATOM 915 CD2 PHE A 157 15.630 21.558 23.017 1.00 39.17 C ATOM 916 CE1 PHE A 157 13.564 20.837 21.332 1.00 41.95 C ATOM 917 CE2 PHE A 157 14.411 21.115 23.544 1.00 40.87 C ATOM 918 CZ PHE A 157 13.391 20.751 22.702 1.00 39.03 C ATOM 919 H PHE A 157 19.350 23.196 20.474 1.00 0.00 H ATOM 920 N TYR A 158 17.138 25.049 22.207 1.00 35.99 N ATOM 921 CA TYR A 158 16.593 26.075 23.115 1.00 33.97 C ATOM 922 C TYR A 158 16.244 27.359 22.339 1.00 35.04 C ATOM 923 O TYR A 158 15.169 27.930 22.537 1.00 31.45 O ATOM 924 CB TYR A 158 17.633 26.387 24.207 1.00 34.93 C ATOM 925 CG TYR A 158 17.146 27.429 25.178 1.00 32.65 C ATOM 926 CD1 TYR A 158 16.208 27.111 26.158 1.00 32.54 C ATOM 927 CD2 TYR A 158 17.568 28.758 25.077 1.00 31.71 C ATOM 928 CE1 TYR A 158 15.718 28.083 27.038 1.00 30.49 C ATOM 929 CE2 TYR A 158 17.103 29.728 25.963 1.00 30.47 C ATOM 930 CZ TYR A 158 16.182 29.384 26.945 1.00 33.44 C ATOM 931 OH TYR A 158 15.705 30.322 27.826 1.00 33.51 O ATOM 932 HH TYR A 158 15.249 31.043 27.324 1.00 0.00 H ATOM 933 H TYR A 158 18.116 24.734 22.367 1.00 0.00 H ATOM 934 N GLN A 159 17.151 27.796 21.445 1.00 32.41 N ATOM 935 CA GLN A 159 16.893 29.000 20.622 1.00 32.52 C ATOM 936 C GLN A 159 15.821 28.745 19.548 1.00 33.65 C ATOM 937 O GLN A 159 15.020 29.626 19.282 1.00 31.12 O ATOM 938 CB GLN A 159 18.204 29.572 20.036 1.00 35.03 C ATOM 939 CG GLN A 159 19.129 29.987 21.217 1.00 47.70 C ATOM 940 CD GLN A 159 20.289 30.868 20.852 1.00 67.31 C ATOM 941 OE1 GLN A 159 20.343 31.472 19.780 1.00 62.09 O ATOM 942 NE2 GLN A 159 21.215 31.011 21.782 1.00 65.60 N ATOM 943 HE22 GLN A 159 21.139 30.486 22.676 1.00 0.00 H ATOM 944 HE21 GLN A 159 22.020 31.649 21.620 1.00 0.00 H ATOM 945 H GLN A 159 18.047 27.280 21.331 1.00 0.00 H ATOM 946 N PHE A 160 15.795 27.540 18.974 1.00 32.36 N ATOM 947 CA PHE A 160 14.768 27.089 18.015 1.00 31.91 C ATOM 948 C PHE A 160 13.410 27.215 18.698 1.00 33.33 C ATOM 949 O PHE A 160 12.461 27.704 18.083 1.00 33.90 O ATOM 950 CB PHE A 160 14.980 25.593 17.602 1.00 34.12 C ATOM 951 CG PHE A 160 13.711 24.951 17.055 1.00 34.41 C ATOM 952 CD1 PHE A 160 13.359 25.096 15.713 1.00 36.37 C ATOM 953 CD2 PHE A 160 12.852 24.235 17.892 1.00 34.52 C ATOM 954 CE1 PHE A 160 12.165 24.563 15.229 1.00 35.65 C ATOM 955 CE2 PHE A 160 11.651 23.708 17.406 1.00 35.76 C ATOM 956 CZ PHE A 160 11.324 23.866 16.075 1.00 34.12 C ATOM 957 H PHE A 160 16.553 26.871 19.220 1.00 0.00 H ATOM 958 N THR A 161 13.317 26.736 19.964 1.00 29.48 N ATOM 959 CA THR A 161 12.088 26.732 20.763 1.00 27.77 C ATOM 960 C THR A 161 11.418 28.112 20.799 1.00 29.66 C ATOM 961 O THR A 161 10.199 28.188 20.659 1.00 27.44 O ATOM 962 CB THR A 161 12.316 26.164 22.189 1.00 29.33 C ATOM 963 OG1 THR A 161 12.662 24.778 22.095 1.00 35.62 O ATOM 964 CG2 THR A 161 11.053 26.302 23.083 1.00 23.75 C ATOM 965 HG1 THR A 161 13.491 24.681 21.562 1.00 0.00 H ATOM 966 H THR A 161 14.177 26.344 20.398 1.00 0.00 H ATOM 967 N PHE A 162 12.203 29.177 21.035 1.00 28.97 N ATOM 968 CA PHE A 162 11.687 30.548 21.074 1.00 28.50 C ATOM 969 C PHE A 162 10.986 30.899 19.752 1.00 32.56 C ATOM 970 O PHE A 162 9.883 31.453 19.762 1.00 32.56 O ATOM 971 CB PHE A 162 12.827 31.558 21.362 1.00 30.05 C ATOM 972 CG PHE A 162 12.392 33.016 21.329 1.00 30.52 C ATOM 973 CD1 PHE A 162 11.917 33.649 22.483 1.00 30.44 C ATOM 974 CD2 PHE A 162 12.444 33.748 20.147 1.00 30.44 C ATOM 975 CE1 PHE A 162 11.542 34.996 22.455 1.00 30.96 C ATOM 976 CE2 PHE A 162 12.031 35.094 20.111 1.00 32.29 C ATOM 977 CZ PHE A 162 11.574 35.707 21.257 1.00 29.79 C ATOM 978 H PHE A 162 13.219 29.022 21.197 1.00 0.00 H ATOM 979 N ASN A 163 11.660 30.636 18.627 1.00 29.64 N ATOM 980 CA ASN A 163 11.136 30.972 17.293 1.00 29.26 C ATOM 981 C ASN A 163 9.932 30.131 16.918 1.00 29.63 C ATOM 982 O ASN A 163 8.995 30.635 16.321 1.00 29.42 O ATOM 983 CB ASN A 163 12.258 30.865 16.239 1.00 31.56 C ATOM 984 CG ASN A 163 13.379 31.834 16.524 1.00 44.70 C ATOM 985 OD1 ASN A 163 14.527 31.461 16.711 1.00 46.50 O ATOM 986 ND2 ASN A 163 13.050 33.093 16.629 1.00 38.31 N ATOM 987 HD22 ASN A 163 12.066 33.389 16.466 1.00 0.00 H ATOM 988 HD21 ASN A 163 13.771 33.800 16.876 1.00 0.00 H ATOM 989 H ASN A 163 12.590 30.176 18.697 1.00 0.00 H ATOM 990 N PHE A 164 9.947 28.861 17.296 1.00 27.25 N ATOM 991 CA PHE A 164 8.844 27.919 17.041 1.00 26.74 C ATOM 992 C PHE A 164 7.588 28.283 17.867 1.00 31.29 C ATOM 993 O PHE A 164 6.468 28.213 17.352 1.00 30.19 O ATOM 994 CB PHE A 164 9.332 26.505 17.378 1.00 28.29 C ATOM 995 CG PHE A 164 8.307 25.401 17.253 1.00 29.79 C ATOM 996 CD1 PHE A 164 7.946 24.899 16.004 1.00 31.89 C ATOM 997 CD2 PHE A 164 7.696 24.871 18.379 1.00 29.44 C ATOM 998 CE1 PHE A 164 7.028 23.852 15.890 1.00 34.09 C ATOM 999 CE2 PHE A 164 6.800 23.803 18.269 1.00 34.09 C ATOM 1000 CZ PHE A 164 6.457 23.311 17.022 1.00 33.58 C ATOM 1001 H PHE A 164 10.785 28.510 17.801 1.00 0.00 H ATOM 1002 N ALA A 165 7.788 28.666 19.144 1.00 28.63 N ATOM 1003 CA ALA A 165 6.710 28.982 20.099 1.00 29.28 C ATOM 1004 C ALA A 165 5.944 30.262 19.770 1.00 32.69 C ATOM 1005 O ALA A 165 4.750 30.377 20.074 1.00 33.08 O ATOM 1006 CB ALA A 165 7.292 29.110 21.496 1.00 29.94 C ATOM 1007 H ALA A 165 8.770 28.744 19.478 1.00 0.00 H ATOM 1008 N LYS A 166 6.660 31.247 19.249 1.00 27.99 N ATOM 1009 CA LYS A 166 6.098 32.573 18.967 1.00 28.37 C ATOM 1010 C LYS A 166 5.236 32.628 17.701 1.00 33.25 C ATOM 1011 O LYS A 166 5.181 31.677 16.926 1.00 33.21 O ATOM 1012 CB LYS A 166 7.213 33.657 18.943 1.00 27.22 C ATOM 1013 CG LYS A 166 8.158 33.649 17.746 1.00 33.39 C ATOM 1014 CD LYS A 166 9.126 34.860 17.907 1.00 41.32 C ATOM 1015 CE LYS A 166 9.553 35.520 16.619 1.00 45.79 C ATOM 1016 NZ LYS A 166 8.411 35.853 15.705 1.00 42.75 N ATOM 1017 HZ1 LYS A 166 7.904 34.980 15.453 1.00 0.00 H ATOM 1018 HZ2 LYS A 166 7.761 36.506 16.188 1.00 0.00 H ATOM 1019 HZ3 LYS A 166 8.779 36.303 14.842 1.00 0.00 H ATOM 1020 H LYS A 166 7.662 31.074 19.031 1.00 0.00 H ATOM 1021 N ASN A 167 4.561 33.754 17.517 1.00 31.75 N ATOM 1022 CA ASN A 167 3.793 34.012 16.319 1.00 33.17 C ATOM 1023 C ASN A 167 4.722 34.570 15.264 1.00 36.95 C ATOM 1024 O ASN A 167 5.528 35.447 15.595 1.00 36.07 O ATOM 1025 CB ASN A 167 2.722 35.044 16.590 1.00 33.70 C ATOM 1026 CG ASN A 167 1.529 34.468 17.281 1.00 45.06 C ATOM 1027 OD1 ASN A 167 0.847 33.635 16.733 1.00 40.53 O ATOM 1028 ND2 ASN A 167 1.244 34.906 18.485 1.00 39.64 N ATOM 1029 HD22 ASN A 167 1.848 35.624 18.934 1.00 0.00 H ATOM 1030 HD21 ASN A 167 0.414 34.535 18.990 1.00 0.00 H ATOM 1031 H ASN A 167 4.585 34.479 18.262 1.00 0.00 H ATOM 1032 N PRO A 168 4.622 34.122 13.988 1.00 34.73 N ATOM 1033 CA PRO A 168 5.413 34.782 12.936 1.00 36.34 C ATOM 1034 C PRO A 168 4.949 36.243 12.829 1.00 43.20 C ATOM 1035 O PRO A 168 3.750 36.532 13.015 1.00 44.60 O ATOM 1036 CB PRO A 168 5.042 34.009 11.658 1.00 38.48 C ATOM 1037 CG PRO A 168 4.341 32.791 12.119 1.00 41.71 C ATOM 1038 CD PRO A 168 3.705 33.111 13.421 1.00 35.52 C ATOM 1039 N GLY A 169 5.897 37.149 12.595 1.00 39.46 N ATOM 1040 CA GLY A 169 5.602 38.569 12.448 1.00 40.36 C ATOM 1041 C GLY A 169 5.419 39.350 13.732 1.00 44.53 C ATOM 1042 O GLY A 169 4.963 40.493 13.678 1.00 46.59 O ATOM 1043 H GLY A 169 6.884 36.832 12.514 1.00 0.00 H ATOM 1044 N GLN A 170 5.742 38.741 14.891 1.00 40.16 N ATOM 1045 CA GLN A 170 5.649 39.369 16.224 1.00 40.94 C ATOM 1046 C GLN A 170 7.034 39.235 16.876 1.00 42.42 C ATOM 1047 O GLN A 170 7.578 38.149 16.880 1.00 41.81 O ATOM 1048 CB GLN A 170 4.580 38.658 17.068 1.00 41.90 C ATOM 1049 CG GLN A 170 3.385 39.523 17.437 1.00 61.73 C ATOM 1050 CD GLN A 170 2.342 38.786 18.269 1.00 80.00 C ATOM 1051 OE1 GLN A 170 2.629 37.819 19.009 1.00 64.69 O ATOM 1052 NE2 GLN A 170 1.098 39.256 18.188 1.00 77.64 N ATOM 1053 HE22 GLN A 170 0.886 40.061 17.565 1.00 0.00 H ATOM 1054 HE21 GLN A 170 0.339 38.818 18.748 1.00 0.00 H ATOM 1055 H GLN A 170 6.081 37.759 14.842 1.00 0.00 H ATOM 1056 N LYS A 171 7.626 40.320 17.360 1.00 40.04 N ATOM 1057 CA LYS A 171 8.989 40.307 17.919 1.00 39.97 C ATOM 1058 C LYS A 171 9.257 39.356 19.106 1.00 44.57 C ATOM 1059 O LYS A 171 10.315 38.694 19.153 1.00 46.88 O ATOM 1060 CB LYS A 171 9.427 41.720 18.338 1.00 41.61 C ATOM 1061 CG LYS A 171 10.300 42.420 17.321 1.00 56.35 C ATOM 1062 CD LYS A 171 11.166 43.506 17.963 1.00 59.19 C ATOM 1063 CE LYS A 171 12.551 43.032 18.321 1.00 72.50 C ATOM 1064 NZ LYS A 171 13.414 44.151 18.788 1.00 86.81 N ATOM 1065 HZ1 LYS A 171 13.496 44.862 18.033 1.00 0.00 H ATOM 1066 HZ2 LYS A 171 12.989 44.586 19.631 1.00 0.00 H ATOM 1067 HZ3 LYS A 171 14.358 43.784 19.024 1.00 0.00 H ATOM 1068 H LYS A 171 7.104 41.220 17.344 1.00 0.00 H ATOM 1069 N GLY A 172 8.387 39.405 20.094 1.00 36.36 N ATOM 1070 CA GLY A 172 8.625 38.668 21.329 1.00 34.03 C ATOM 1071 C GLY A 172 7.758 37.453 21.516 1.00 35.65 C ATOM 1072 O GLY A 172 6.917 37.130 20.673 1.00 35.88 O ATOM 1073 H GLY A 172 7.523 39.974 19.992 1.00 0.00 H ATOM 1074 N LEU A 173 7.995 36.752 22.612 1.00 30.30 N ATOM 1075 CA LEU A 173 7.216 35.589 22.956 1.00 28.57 C ATOM 1076 C LEU A 173 6.320 35.967 24.114 1.00 31.59 C ATOM 1077 O LEU A 173 6.799 36.341 25.180 1.00 29.72 O ATOM 1078 CB LEU A 173 8.139 34.408 23.354 1.00 27.94 C ATOM 1079 CG LEU A 173 7.491 33.077 23.763 1.00 31.67 C ATOM 1080 CD1 LEU A 173 6.481 32.580 22.715 1.00 31.09 C ATOM 1081 CD2 LEU A 173 8.553 32.004 23.928 1.00 32.16 C ATOM 1082 H LEU A 173 8.766 37.048 23.244 1.00 0.00 H ATOM 1083 N ASP A 174 5.027 35.781 23.922 1.00 28.93 N ATOM 1084 CA ASP A 174 4.024 35.941 24.968 1.00 29.21 C ATOM 1085 C ASP A 174 4.476 35.205 26.275 1.00 29.25 C ATOM 1086 O ASP A 174 4.822 34.029 26.215 1.00 28.31 O ATOM 1087 CB ASP A 174 2.736 35.313 24.454 1.00 31.08 C ATOM 1088 CG ASP A 174 1.631 35.510 25.436 1.00 42.88 C ATOM 1089 OD1 ASP A 174 0.987 36.575 25.383 1.00 42.09 O ATOM 1090 OD2 ASP A 174 1.443 34.619 26.294 1.00 50.34 O ATOM 1091 H ASP A 174 4.706 35.505 22.972 1.00 0.00 H ATOM 1092 N LEU A 175 4.443 35.883 27.426 1.00 26.56 N ATOM 1093 CA LEU A 175 4.919 35.333 28.704 1.00 26.68 C ATOM 1094 C LEU A 175 4.291 33.995 29.109 1.00 29.17 C ATOM 1095 O LEU A 175 4.995 33.120 29.604 1.00 29.64 O ATOM 1096 CB LEU A 175 4.761 36.369 29.841 1.00 27.26 C ATOM 1097 CG LEU A 175 5.195 35.914 31.252 1.00 29.97 C ATOM 1098 CD1 LEU A 175 6.674 35.581 31.334 1.00 27.13 C ATOM 1099 CD2 LEU A 175 4.724 36.866 32.304 1.00 32.67 C ATOM 1100 H LEU A 175 4.061 36.850 27.418 1.00 0.00 H ATOM 1101 N GLU A 176 2.981 33.834 28.898 1.00 26.84 N ATOM 1102 CA GLU A 176 2.267 32.599 29.228 1.00 27.21 C ATOM 1103 C GLU A 176 2.852 31.439 28.418 1.00 30.45 C ATOM 1104 O GLU A 176 3.031 30.358 28.949 1.00 29.88 O ATOM 1105 CB GLU A 176 0.763 32.770 28.956 1.00 28.92 C ATOM 1106 CG GLU A 176 0.105 33.753 29.913 1.00 31.75 C ATOM 1107 CD GLU A 176 0.060 33.257 31.342 1.00 40.68 C ATOM 1108 OE1 GLU A 176 0.647 33.908 32.236 1.00 38.08 O ATOM 1109 OE2 GLU A 176 -0.549 32.191 31.563 1.00 40.10 O ATOM 1110 H GLU A 176 2.445 34.621 28.481 1.00 0.00 H ATOM 1111 N MET A 177 3.204 31.690 27.156 1.00 27.51 N ATOM 1112 CA MET A 177 3.825 30.671 26.297 1.00 26.31 C ATOM 1113 C MET A 177 5.297 30.528 26.651 1.00 27.91 C ATOM 1114 O MET A 177 5.789 29.416 26.633 1.00 27.66 O ATOM 1115 CB MET A 177 3.651 30.997 24.791 1.00 27.30 C ATOM 1116 CG MET A 177 2.232 30.776 24.297 1.00 29.94 C ATOM 1117 SD MET A 177 1.805 29.024 24.227 1.00 34.44 S ATOM 1118 CE MET A 177 0.075 29.119 24.315 1.00 32.96 C ATOM 1119 H MET A 177 3.033 32.639 26.766 1.00 0.00 H ATOM 1120 N ALA A 178 5.994 31.621 27.016 1.00 24.89 N ATOM 1121 CA ALA A 178 7.407 31.475 27.413 1.00 26.38 C ATOM 1122 C ALA A 178 7.505 30.595 28.662 1.00 31.68 C ATOM 1123 O ALA A 178 8.364 29.721 28.719 1.00 33.03 O ATOM 1124 CB ALA A 178 8.056 32.846 27.654 1.00 26.74 C ATOM 1125 H ALA A 178 5.541 32.557 27.018 1.00 0.00 H ATOM 1126 N ILE A 179 6.590 30.779 29.635 1.00 28.09 N ATOM 1127 CA ILE A 179 6.562 29.952 30.855 1.00 28.71 C ATOM 1128 C ILE A 179 6.327 28.477 30.519 1.00 32.20 C ATOM 1129 O ILE A 179 7.047 27.621 31.024 1.00 31.51 O ATOM 1130 CB ILE A 179 5.534 30.486 31.898 1.00 30.73 C ATOM 1131 CG1 ILE A 179 6.035 31.827 32.503 1.00 30.21 C ATOM 1132 CG2 ILE A 179 5.212 29.430 32.995 1.00 31.39 C ATOM 1133 CD1 ILE A 179 4.852 32.630 33.242 1.00 30.08 C ATOM 1134 H ILE A 179 5.880 31.530 29.521 1.00 0.00 H ATOM 1135 N ALA A 180 5.332 28.198 29.678 1.00 30.08 N ATOM 1136 CA ALA A 180 4.996 26.824 29.274 1.00 32.66 C ATOM 1137 C ALA A 180 6.177 26.144 28.563 1.00 33.88 C ATOM 1138 O ALA A 180 6.508 25.014 28.881 1.00 33.63 O ATOM 1139 CB ALA A 180 3.781 26.853 28.361 1.00 34.22 C ATOM 1140 H ALA A 180 4.770 28.983 29.292 1.00 0.00 H ATOM 1141 N TYR A 181 6.849 26.854 27.652 1.00 30.08 N ATOM 1142 CA TYR A 181 8.021 26.286 26.964 1.00 30.69 C ATOM 1143 C TYR A 181 9.234 26.191 27.880 1.00 34.96 C ATOM 1144 O TYR A 181 9.945 25.196 27.813 1.00 35.62 O ATOM 1145 CB TYR A 181 8.330 27.029 25.654 1.00 29.85 C ATOM 1146 CG TYR A 181 7.388 26.602 24.555 1.00 29.99 C ATOM 1147 CD1 TYR A 181 7.665 25.486 23.765 1.00 31.79 C ATOM 1148 CD2 TYR A 181 6.185 27.274 24.341 1.00 29.28 C ATOM 1149 CE1 TYR A 181 6.795 25.083 22.754 1.00 31.63 C ATOM 1150 CE2 TYR A 181 5.297 26.864 23.351 1.00 29.62 C ATOM 1151 CZ TYR A 181 5.616 25.783 22.545 1.00 35.24 C ATOM 1152 OH TYR A 181 4.745 25.403 21.550 1.00 31.92 O ATOM 1153 HH TYR A 181 5.116 24.621 21.069 1.00 0.00 H ATOM 1154 H TYR A 181 6.540 27.821 27.426 1.00 0.00 H ATOM 1155 N TRP A 182 9.450 27.181 28.772 1.00 31.41 N ATOM 1156 CA TRP A 182 10.531 27.077 29.774 1.00 31.85 C ATOM 1157 C TRP A 182 10.309 25.868 30.658 1.00 38.51 C ATOM 1158 O TRP A 182 11.261 25.120 30.898 1.00 35.77 O ATOM 1159 CB TRP A 182 10.642 28.306 30.667 1.00 29.75 C ATOM 1160 CG TRP A 182 11.487 29.408 30.107 1.00 29.85 C ATOM 1161 CD1 TRP A 182 12.689 29.286 29.471 1.00 32.68 C ATOM 1162 CD2 TRP A 182 11.229 30.812 30.213 1.00 29.06 C ATOM 1163 NE1 TRP A 182 13.167 30.521 29.124 1.00 31.13 N ATOM 1164 CE2 TRP A 182 12.309 31.482 29.598 1.00 32.21 C ATOM 1165 CE3 TRP A 182 10.190 31.574 30.780 1.00 29.64 C ATOM 1166 CZ2 TRP A 182 12.389 32.881 29.543 1.00 31.42 C ATOM 1167 CZ3 TRP A 182 10.242 32.953 30.671 1.00 30.32 C ATOM 1168 CH2 TRP A 182 11.332 33.595 30.057 1.00 30.45 C ATOM 1169 HE1 TRP A 182 14.040 30.702 28.588 1.00 0.00 H ATOM 1170 H TRP A 182 8.847 28.028 28.754 1.00 0.00 H ATOM 1171 N ASN A 183 9.036 25.612 31.069 1.00 37.90 N ATOM 1172 CA ASN A 183 8.726 24.431 31.901 1.00 39.93 C ATOM 1173 C ASN A 183 8.955 23.136 31.146 1.00 44.91 C ATOM 1174 O ASN A 183 9.232 22.123 31.755 1.00 45.31 O ATOM 1175 CB ASN A 183 7.290 24.468 32.459 1.00 37.59 C ATOM 1176 CG ASN A 183 7.112 25.367 33.650 1.00 50.27 C ATOM 1177 OD1 ASN A 183 8.066 25.798 34.287 1.00 37.80 O ATOM 1178 ND2 ASN A 183 5.874 25.654 34.004 1.00 43.92 N ATOM 1179 HD22 ASN A 183 5.075 25.280 33.452 1.00 0.00 H ATOM 1180 HD21 ASN A 183 5.697 26.254 34.835 1.00 0.00 H ATOM 1181 H ASN A 183 8.270 26.258 30.793 1.00 0.00 H ATOM 1182 N LEU A 184 8.835 23.171 29.826 1.00 41.45 N ATOM 1183 CA LEU A 184 9.011 22.001 28.968 1.00 43.17 C ATOM 1184 C LEU A 184 10.517 21.710 28.733 1.00 48.05 C ATOM 1185 O LEU A 184 10.950 20.572 28.902 1.00 49.90 O ATOM 1186 CB LEU A 184 8.278 22.315 27.657 1.00 42.12 C ATOM 1187 CG LEU A 184 7.458 21.283 26.892 1.00 49.25 C ATOM 1188 CD1 LEU A 184 6.762 20.231 27.802 1.00 51.70 C ATOM 1189 CD2 LEU A 184 6.464 21.997 25.975 1.00 48.60 C ATOM 1190 H LEU A 184 8.603 24.080 29.377 1.00 0.00 H ATOM 1191 N VAL A 185 11.320 22.750 28.406 1.00 43.68 N ATOM 1192 CA VAL A 185 12.750 22.616 28.089 1.00 43.76 C ATOM 1193 C VAL A 185 13.730 22.792 29.285 1.00 48.02 C ATOM 1194 O VAL A 185 14.851 22.311 29.178 1.00 50.30 O ATOM 1195 CB VAL A 185 13.169 23.534 26.903 1.00 45.50 C ATOM 1196 CG1 VAL A 185 12.312 23.259 25.678 1.00 44.16 C ATOM 1197 CG2 VAL A 185 13.135 25.023 27.274 1.00 44.00 C ATOM 1198 H VAL A 185 10.900 23.701 28.377 1.00 0.00 H ATOM 1199 N LEU A 186 13.361 23.516 30.358 1.00 42.98 N ATOM 1200 CA LEU A 186 14.253 23.781 31.510 1.00 42.57 C ATOM 1201 C LEU A 186 13.857 23.115 32.829 1.00 48.48 C ATOM 1202 O LEU A 186 14.570 23.290 33.828 1.00 48.15 O ATOM 1203 CB LEU A 186 14.433 25.292 31.743 1.00 39.53 C ATOM 1204 CG LEU A 186 15.086 26.132 30.620 1.00 41.71 C ATOM 1205 CD1 LEU A 186 15.373 27.515 31.112 1.00 39.82 C ATOM 1206 CD2 LEU A 186 16.390 25.507 30.111 1.00 41.62 C ATOM 1207 H LEU A 186 12.399 23.910 30.379 1.00 0.00 H ATOM 1208 N ASN A 187 12.705 22.414 32.873 1.00 46.76 N ATOM 1209 CA ASN A 187 12.276 21.736 34.106 1.00 47.59 C ATOM 1210 C ASN A 187 13.255 20.602 34.421 1.00 53.51 C ATOM 1211 O ASN A 187 13.499 19.753 33.573 1.00 53.79 O ATOM 1212 CB ASN A 187 10.827 21.244 34.024 1.00 43.67 C ATOM 1213 CG ASN A 187 10.308 20.567 35.267 1.00 60.20 C ATOM 1214 OD1 ASN A 187 9.735 19.480 35.215 1.00 63.62 O ATOM 1215 ND2 ASN A 187 10.519 21.177 36.416 1.00 49.51 N ATOM 1216 HD22 ASN A 187 11.006 22.096 36.435 1.00 0.00 H ATOM 1217 HD21 ASN A 187 10.199 20.740 37.303 1.00 0.00 H ATOM 1218 H ASN A 187 12.111 22.352 32.022 1.00 0.00 H ATOM 1219 N GLY A 188 13.863 20.671 35.605 1.00 51.75 N ATOM 1220 CA GLY A 188 14.888 19.733 36.034 1.00 54.59 C ATOM 1221 C GLY A 188 16.289 20.168 35.640 1.00 58.81 C ATOM 1222 O GLY A 188 17.258 19.508 36.024 1.00 62.62 O ATOM 1223 H GLY A 188 13.590 21.435 36.256 1.00 0.00 H ATOM 1224 N ARG A 189 16.417 21.266 34.857 1.00 50.81 N ATOM 1225 CA ARG A 189 17.713 21.826 34.440 1.00 50.43 C ATOM 1226 C ARG A 189 17.977 23.139 35.186 1.00 54.80 C ATOM 1227 O ARG A 189 19.102 23.397 35.613 1.00 57.37 O ATOM 1228 CB ARG A 189 17.770 22.110 32.931 1.00 47.37 C ATOM 1229 CG ARG A 189 17.632 20.916 32.020 1.00 59.08 C ATOM 1230 CD ARG A 189 17.703 21.347 30.570 1.00 62.15 C ATOM 1231 NE ARG A 189 19.078 21.608 30.144 1.00 69.76 N ATOM 1232 CZ ARG A 189 19.847 20.727 29.509 1.00 83.00 C ATOM 1233 NH1 ARG A 189 19.378 19.520 29.205 1.00 68.55 N ATOM 1234 NH2 ARG A 189 21.088 21.046 29.168 1.00 66.14 N ATOM 1235 HE ARG A 189 19.481 22.544 30.351 1.00 0.00 H ATOM 1236 HH12 ARG A 189 19.984 18.836 28.709 1.00 0.00 H ATOM 1237 HH11 ARG A 189 18.405 19.260 29.464 1.00 0.00 H ATOM 1238 HH22 ARG A 189 21.685 20.354 28.672 1.00 0.00 H ATOM 1239 HH21 ARG A 189 21.464 21.988 29.397 1.00 0.00 H ATOM 1240 H ARG A 189 15.550 21.740 34.532 1.00 0.00 H ATOM 1241 N PHE A 190 16.945 23.989 35.305 1.00 47.31 N ATOM 1242 CA PHE A 190 17.071 25.279 35.964 1.00 43.15 C ATOM 1243 C PHE A 190 16.477 25.224 37.355 1.00 47.15 C ATOM 1244 O PHE A 190 15.279 25.005 37.528 1.00 46.11 O ATOM 1245 CB PHE A 190 16.509 26.395 35.075 1.00 40.90 C ATOM 1246 CG PHE A 190 16.550 27.806 35.632 1.00 40.39 C ATOM 1247 CD1 PHE A 190 17.635 28.244 36.402 1.00 43.26 C ATOM 1248 CD2 PHE A 190 15.528 28.708 35.352 1.00 37.97 C ATOM 1249 CE1 PHE A 190 17.685 29.551 36.891 1.00 43.04 C ATOM 1250 CE2 PHE A 190 15.565 30.010 35.856 1.00 40.73 C ATOM 1251 CZ PHE A 190 16.651 30.431 36.608 1.00 40.82 C ATOM 1252 H PHE A 190 16.022 23.715 34.912 1.00 0.00 H ATOM 1253 N LYS A 191 17.351 25.380 38.350 1.00 46.46 N ATOM 1254 CA LYS A 191 17.027 25.306 39.767 1.00 48.42 C ATOM 1255 C LYS A 191 15.989 26.320 40.193 1.00 51.00 C ATOM 1256 O LYS A 191 15.120 25.981 40.999 1.00 51.42 O ATOM 1257 CB LYS A 191 18.310 25.435 40.618 1.00 53.05 C ATOM 1258 CG LYS A 191 18.085 25.692 42.111 1.00 62.78 C ATOM 1259 CD LYS A 191 18.531 24.534 42.951 1.00 67.61 C ATOM 1260 CE LYS A 191 18.227 24.753 44.411 1.00 68.59 C ATOM 1261 NZ LYS A 191 16.974 24.070 44.818 1.00 70.74 N ATOM 1262 HZ1 LYS A 191 16.180 24.442 44.258 1.00 0.00 H ATOM 1263 HZ2 LYS A 191 17.068 23.048 44.652 1.00 0.00 H ATOM 1264 HZ3 LYS A 191 16.798 24.244 45.828 1.00 0.00 H ATOM 1265 H LYS A 191 18.341 25.569 38.094 1.00 0.00 H ATOM 1266 N PHE A 192 16.076 27.559 39.665 1.00 45.25 N ATOM 1267 CA PHE A 192 15.165 28.628 40.082 1.00 44.21 C ATOM 1268 C PHE A 192 13.999 28.874 39.099 1.00 42.82 C ATOM 1269 O PHE A 192 13.401 29.961 39.132 1.00 41.27 O ATOM 1270 CB PHE A 192 15.965 29.925 40.378 1.00 45.96 C ATOM 1271 CG PHE A 192 17.176 29.676 41.255 1.00 49.20 C ATOM 1272 CD1 PHE A 192 17.034 29.464 42.621 1.00 52.87 C ATOM 1273 CD2 PHE A 192 18.451 29.601 40.703 1.00 51.06 C ATOM 1274 CE1 PHE A 192 18.149 29.186 43.419 1.00 55.41 C ATOM 1275 CE2 PHE A 192 19.565 29.335 41.506 1.00 54.96 C ATOM 1276 CZ PHE A 192 19.403 29.138 42.854 1.00 54.55 C ATOM 1277 H PHE A 192 16.803 27.759 38.949 1.00 0.00 H ATOM 1278 N LEU A 193 13.655 27.858 38.272 1.00 37.08 N ATOM 1279 CA LEU A 193 12.585 27.932 37.258 1.00 35.59 C ATOM 1280 C LEU A 193 11.257 28.448 37.807 1.00 39.88 C ATOM 1281 O LEU A 193 10.697 29.406 37.259 1.00 39.70 O ATOM 1282 CB LEU A 193 12.394 26.584 36.532 1.00 36.76 C ATOM 1283 CG LEU A 193 11.346 26.544 35.384 1.00 41.22 C ATOM 1284 CD1 LEU A 193 11.667 27.521 34.259 1.00 38.39 C ATOM 1285 CD2 LEU A 193 11.220 25.161 34.829 1.00 47.63 C ATOM 1286 H LEU A 193 14.181 26.965 38.357 1.00 0.00 H ATOM 1287 N ASP A 194 10.783 27.847 38.901 1.00 36.97 N ATOM 1288 CA ASP A 194 9.545 28.245 39.568 1.00 38.41 C ATOM 1289 C ASP A 194 9.586 29.713 40.010 1.00 42.84 C ATOM 1290 O ASP A 194 8.648 30.434 39.730 1.00 41.31 O ATOM 1291 CB ASP A 194 9.263 27.334 40.773 1.00 42.72 C ATOM 1292 CG ASP A 194 7.962 27.660 41.488 1.00 58.36 C ATOM 1293 OD1 ASP A 194 6.919 27.787 40.801 1.00 57.28 O ATOM 1294 OD2 ASP A 194 7.984 27.775 42.737 1.00 70.45 O ATOM 1295 H ASP A 194 11.324 27.053 39.300 1.00 0.00 H ATOM 1296 N LEU A 195 10.663 30.141 40.714 1.00 40.91 N ATOM 1297 CA LEU A 195 10.831 31.513 41.186 1.00 40.01 C ATOM 1298 C LEU A 195 10.927 32.518 40.038 1.00 40.83 C ATOM 1299 O LEU A 195 10.420 33.636 40.164 1.00 39.75 O ATOM 1300 CB LEU A 195 12.052 31.645 42.113 1.00 41.12 C ATOM 1301 CG LEU A 195 11.863 31.195 43.569 1.00 47.74 C ATOM 1302 CD1 LEU A 195 13.199 31.157 44.293 1.00 48.84 C ATOM 1303 CD2 LEU A 195 10.856 32.081 44.309 1.00 48.94 C ATOM 1304 H LEU A 195 11.412 29.453 40.930 1.00 0.00 H ATOM 1305 N TRP A 196 11.561 32.112 38.927 1.00 36.22 N ATOM 1306 CA TRP A 196 11.718 32.916 37.706 1.00 34.37 C ATOM 1307 C TRP A 196 10.359 33.186 37.072 1.00 35.09 C ATOM 1308 O TRP A 196 10.062 34.333 36.745 1.00 34.19 O ATOM 1309 CB TRP A 196 12.644 32.199 36.719 1.00 32.85 C ATOM 1310 CG TRP A 196 12.696 32.805 35.361 1.00 32.97 C ATOM 1311 CD1 TRP A 196 12.147 32.306 34.217 1.00 34.55 C ATOM 1312 CD2 TRP A 196 13.336 34.044 34.997 1.00 33.15 C ATOM 1313 NE1 TRP A 196 12.439 33.133 33.155 1.00 32.23 N ATOM 1314 CE2 TRP A 196 13.171 34.205 33.606 1.00 34.85 C ATOM 1315 CE3 TRP A 196 14.087 35.003 35.708 1.00 35.73 C ATOM 1316 CZ2 TRP A 196 13.745 35.277 32.903 1.00 34.86 C ATOM 1317 CZ3 TRP A 196 14.631 36.072 35.014 1.00 37.37 C ATOM 1318 CH2 TRP A 196 14.457 36.204 33.631 1.00 36.89 C ATOM 1319 HE1 TRP A 196 12.151 32.972 32.169 1.00 0.00 H ATOM 1320 H TRP A 196 11.972 31.157 38.930 1.00 0.00 H ATOM 1321 N ASN A 197 9.542 32.130 36.906 1.00 33.81 N ATOM 1322 CA ASN A 197 8.196 32.258 36.354 1.00 34.25 C ATOM 1323 C ASN A 197 7.368 33.169 37.250 1.00 39.03 C ATOM 1324 O ASN A 197 6.702 34.061 36.734 1.00 39.45 O ATOM 1325 CB ASN A 197 7.532 30.886 36.184 1.00 33.61 C ATOM 1326 CG ASN A 197 8.222 29.996 35.173 1.00 48.01 C ATOM 1327 OD1 ASN A 197 8.863 30.456 34.224 1.00 40.06 O ATOM 1328 ND2 ASN A 197 8.127 28.697 35.364 1.00 41.92 N ATOM 1329 HD22 ASN A 197 7.582 28.328 36.170 1.00 0.00 H ATOM 1330 HD21 ASN A 197 8.597 28.039 34.709 1.00 0.00 H ATOM 1331 H ASN A 197 9.882 31.186 37.181 1.00 0.00 H ATOM 1332 N LYS A 198 7.486 33.011 38.590 1.00 36.25 N ATOM 1333 CA LYS A 198 6.759 33.857 39.548 1.00 36.76 C ATOM 1334 C LYS A 198 7.181 35.315 39.460 1.00 39.44 C ATOM 1335 O LYS A 198 6.318 36.184 39.383 1.00 39.38 O ATOM 1336 CB LYS A 198 6.877 33.327 40.986 1.00 40.44 C ATOM 1337 CG LYS A 198 5.981 32.127 41.241 1.00 55.01 C ATOM 1338 CD LYS A 198 6.146 31.597 42.659 1.00 68.07 C ATOM 1339 CE LYS A 198 5.737 30.144 42.827 1.00 71.52 C ATOM 1340 NZ LYS A 198 4.311 29.890 42.489 1.00 73.29 N ATOM 1341 HZ1 LYS A 198 3.702 30.461 43.109 1.00 0.00 H ATOM 1342 HZ2 LYS A 198 4.139 30.151 41.497 1.00 0.00 H ATOM 1343 HZ3 LYS A 198 4.098 28.881 42.625 1.00 0.00 H ATOM 1344 H LYS A 198 8.113 32.265 38.954 1.00 0.00 H ATOM 1345 N PHE A 199 8.505 35.579 39.439 1.00 36.35 N ATOM 1346 CA PHE A 199 9.079 36.928 39.344 1.00 36.75 C ATOM 1347 C PHE A 199 8.547 37.692 38.099 1.00 38.15 C ATOM 1348 O PHE A 199 8.218 38.866 38.189 1.00 36.52 O ATOM 1349 CB PHE A 199 10.622 36.843 39.325 1.00 39.00 C ATOM 1350 CG PHE A 199 11.347 38.112 38.937 1.00 41.85 C ATOM 1351 CD1 PHE A 199 11.485 39.163 39.844 1.00 46.80 C ATOM 1352 CD2 PHE A 199 11.911 38.251 37.671 1.00 43.22 C ATOM 1353 CE1 PHE A 199 12.171 40.337 39.484 1.00 48.99 C ATOM 1354 CE2 PHE A 199 12.598 39.422 37.312 1.00 47.55 C ATOM 1355 CZ PHE A 199 12.721 40.456 38.219 1.00 47.25 C ATOM 1356 H PHE A 199 9.162 34.774 39.494 1.00 0.00 H ATOM 1357 N LEU A 200 8.511 37.024 36.949 1.00 33.54 N ATOM 1358 CA LEU A 200 8.051 37.610 35.685 1.00 32.50 C ATOM 1359 C LEU A 200 6.538 37.886 35.697 1.00 36.80 C ATOM 1360 O LEU A 200 6.082 38.884 35.134 1.00 35.45 O ATOM 1361 CB LEU A 200 8.438 36.674 34.524 1.00 31.31 C ATOM 1362 CG LEU A 200 9.932 36.560 34.176 1.00 35.33 C ATOM 1363 CD1 LEU A 200 10.115 35.619 33.045 1.00 36.65 C ATOM 1364 CD2 LEU A 200 10.563 37.926 33.796 1.00 32.19 C ATOM 1365 H LEU A 200 8.826 36.033 36.946 1.00 0.00 H ATOM 1366 N LEU A 201 5.764 37.016 36.365 1.00 35.37 N ATOM 1367 CA LEU A 201 4.316 37.206 36.481 1.00 35.46 C ATOM 1368 C LEU A 201 3.998 38.399 37.384 1.00 42.26 C ATOM 1369 O LEU A 201 3.098 39.176 37.080 1.00 40.86 O ATOM 1370 CB LEU A 201 3.634 35.924 37.003 1.00 34.71 C ATOM 1371 CG LEU A 201 3.514 34.787 35.982 1.00 37.77 C ATOM 1372 CD1 LEU A 201 3.217 33.445 36.687 1.00 37.04 C ATOM 1373 CD2 LEU A 201 2.447 35.103 34.897 1.00 36.55 C ATOM 1374 H LEU A 201 6.204 36.186 36.812 1.00 0.00 H ATOM 1375 N GLU A 202 4.778 38.559 38.469 1.00 43.98 N ATOM 1376 CA GLU A 202 4.639 39.625 39.467 1.00 46.31 C ATOM 1377 C GLU A 202 4.973 40.992 38.903 1.00 55.59 C ATOM 1378 O GLU A 202 4.261 41.949 39.183 1.00 56.99 O ATOM 1379 CB GLU A 202 5.499 39.335 40.693 1.00 48.27 C ATOM 1380 CG GLU A 202 4.888 38.276 41.599 1.00 64.38 C ATOM 1381 CD GLU A 202 5.602 38.014 42.913 1.00 89.41 C ATOM 1382 OE1 GLU A 202 6.214 38.959 43.463 1.00 86.19 O ATOM 1383 OE2 GLU A 202 5.518 36.867 43.412 1.00 82.13 O ATOM 1384 H GLU A 202 5.543 37.869 38.612 1.00 0.00 H ATOM 1385 N HIS A 203 6.005 41.080 38.071 1.00 55.50 N ATOM 1386 CA HIS A 203 6.402 42.345 37.466 1.00 58.84 C ATOM 1387 C HIS A 203 5.650 42.617 36.134 1.00 66.68 C ATOM 1388 O HIS A 203 6.083 43.432 35.310 1.00 66.35 O ATOM 1389 CB HIS A 203 7.930 42.433 37.366 1.00 61.03 C ATOM 1390 CG HIS A 203 8.537 42.554 38.733 1.00 66.63 C ATOM 1391 ND1 HIS A 203 8.976 41.438 39.429 1.00 68.81 N ATOM 1392 CD2 HIS A 203 8.606 43.631 39.553 1.00 70.28 C ATOM 1393 CE1 HIS A 203 9.363 41.883 40.615 1.00 70.03 C ATOM 1394 NE2 HIS A 203 9.163 43.197 40.735 1.00 71.35 N ATOM 1395 H HIS A 203 6.546 40.221 37.845 1.00 0.00 H ATOM 1396 N HIS A 204 4.462 41.972 35.996 1.00 65.78 N ATOM 1397 CA HIS A 204 3.458 42.076 34.932 1.00 67.12 C ATOM 1398 C HIS A 204 4.041 42.161 33.515 1.00 71.31 C ATOM 1399 O HIS A 204 3.515 42.867 32.650 1.00 72.25 O ATOM 1400 CB HIS A 204 2.496 43.243 35.219 1.00 69.59 C ATOM 1401 CG HIS A 204 2.093 43.322 36.658 1.00 74.69 C ATOM 1402 ND1 HIS A 204 1.182 42.431 37.204 1.00 77.10 N ATOM 1403 CD2 HIS A 204 2.534 44.152 37.631 1.00 77.97 C ATOM 1404 CE1 HIS A 204 1.083 42.760 38.480 1.00 77.82 C ATOM 1405 NE2 HIS A 204 1.879 43.790 38.785 1.00 78.75 N ATOM 1406 H HIS A 204 4.230 41.305 36.759 1.00 0.00 H ATOM 1407 N LYS A 205 5.118 41.407 33.288 1.00 66.06 N ATOM 1408 CA LYS A 205 5.792 41.282 32.017 1.00 65.44 C ATOM 1409 C LYS A 205 4.783 40.603 31.096 1.00 69.08 C ATOM 1410 O LYS A 205 4.122 39.661 31.519 1.00 69.81 O ATOM 1411 CB LYS A 205 7.047 40.411 32.211 1.00 67.51 C ATOM 1412 CG LYS A 205 8.043 40.514 31.077 1.00 74.77 C ATOM 1413 CD LYS A 205 9.226 41.396 31.433 1.00 77.24 C ATOM 1414 CE LYS A 205 10.249 41.415 30.323 1.00 79.96 C ATOM 1415 NZ LYS A 205 9.722 42.048 29.081 1.00 87.92 N ATOM 1416 HZ1 LYS A 205 8.893 41.516 28.747 1.00 0.00 H ATOM 1417 HZ2 LYS A 205 9.447 43.030 29.284 1.00 0.00 H ATOM 1418 HZ3 LYS A 205 10.460 42.038 28.348 1.00 0.00 H ATOM 1419 H LYS A 205 5.502 40.867 34.089 1.00 0.00 H ATOM 1420 N ARG A 206 4.566 41.132 29.904 1.00 46.54 N ATOM 1421 CA ARG A 206 3.592 40.514 28.998 1.00 45.03 C ATOM 1422 C ARG A 206 4.273 39.711 27.889 1.00 43.98 C ATOM 1423 O ARG A 206 3.693 38.738 27.390 1.00 39.97 O ATOM 1424 CB ARG A 206 2.692 41.586 28.359 1.00 46.02 C ATOM 1425 H ARG A 206 5.085 41.984 29.609 1.00 0.00 H ATOM 1426 N SER A 207 5.471 40.180 27.455 1.00 39.07 N ATOM 1427 CA SER A 207 6.210 39.604 26.325 1.00 37.17 C ATOM 1428 C SER A 207 7.695 39.472 26.640 1.00 37.08 C ATOM 1429 O SER A 207 8.275 40.354 27.261 1.00 36.15 O ATOM 1430 CB SER A 207 5.997 40.480 25.095 1.00 39.76 C ATOM 1431 OG SER A 207 6.679 40.006 23.951 1.00 48.16 O ATOM 1432 HG SER A 207 6.503 40.613 23.189 1.00 0.00 H ATOM 1433 H SER A 207 5.889 40.993 27.951 1.00 0.00 H ATOM 1434 N ILE A 208 8.307 38.379 26.178 1.00 31.80 N ATOM 1435 CA ILE A 208 9.705 38.069 26.414 1.00 30.07 C ATOM 1436 C ILE A 208 10.463 38.276 25.115 1.00 34.40 C ATOM 1437 O ILE A 208 10.201 37.566 24.133 1.00 32.17 O ATOM 1438 CB ILE A 208 9.872 36.618 27.005 1.00 32.45 C ATOM 1439 CG1 ILE A 208 9.130 36.441 28.392 1.00 33.12 C ATOM 1440 CG2 ILE A 208 11.358 36.188 27.093 1.00 31.85 C ATOM 1441 CD1 ILE A 208 9.597 37.397 29.588 1.00 29.69 C ATOM 1442 H ILE A 208 7.747 37.708 25.614 1.00 0.00 H ATOM 1443 N PRO A 209 11.448 39.217 25.114 1.00 32.11 N ATOM 1444 CA PRO A 209 12.282 39.395 23.918 1.00 31.83 C ATOM 1445 C PRO A 209 13.247 38.225 23.796 1.00 34.62 C ATOM 1446 O PRO A 209 13.562 37.557 24.787 1.00 31.45 O ATOM 1447 CB PRO A 209 13.057 40.702 24.190 1.00 35.47 C ATOM 1448 CG PRO A 209 12.525 41.238 25.494 1.00 40.69 C ATOM 1449 CD PRO A 209 11.871 40.111 26.217 1.00 34.62 C ATOM 1450 N LYS A 210 13.755 38.010 22.585 1.00 34.57 N ATOM 1451 CA LYS A 210 14.715 36.955 22.308 1.00 35.39 C ATOM 1452 C LYS A 210 15.947 37.064 23.207 1.00 39.90 C ATOM 1453 O LYS A 210 16.429 36.037 23.685 1.00 39.14 O ATOM 1454 CB LYS A 210 15.090 36.932 20.805 1.00 38.73 C ATOM 1455 CG LYS A 210 15.921 35.667 20.481 1.00 48.22 C ATOM 1456 CD LYS A 210 15.688 35.106 19.079 1.00 68.04 C ATOM 1457 CE LYS A 210 16.433 33.791 18.829 1.00 82.76 C ATOM 1458 NZ LYS A 210 16.089 32.690 19.796 1.00 77.54 N ATOM 1459 HZ1 LYS A 210 16.323 32.994 20.763 1.00 0.00 H ATOM 1460 HZ2 LYS A 210 15.072 32.481 19.734 1.00 0.00 H ATOM 1461 HZ3 LYS A 210 16.635 31.838 19.557 1.00 0.00 H ATOM 1462 H LYS A 210 13.452 38.624 21.802 1.00 0.00 H ATOM 1463 N ASP A 211 16.420 38.310 23.473 1.00 38.11 N ATOM 1464 CA ASP A 211 17.563 38.561 24.354 1.00 39.60 C ATOM 1465 C ASP A 211 17.303 38.016 25.742 1.00 39.16 C ATOM 1466 O ASP A 211 18.185 37.396 26.289 1.00 38.58 O ATOM 1467 CB ASP A 211 17.892 40.062 24.463 1.00 43.90 C ATOM 1468 CG ASP A 211 18.912 40.546 23.480 1.00 63.51 C ATOM 1469 OD1 ASP A 211 19.543 39.694 22.806 1.00 64.55 O ATOM 1470 OD2 ASP A 211 19.042 41.787 23.329 1.00 79.17 O ATOM 1471 H ASP A 211 15.948 39.124 23.030 1.00 0.00 H ATOM 1472 N THR A 212 16.095 38.219 26.294 1.00 34.25 N ATOM 1473 CA THR A 212 15.765 37.699 27.621 1.00 33.44 C ATOM 1474 C THR A 212 15.771 36.160 27.616 1.00 38.01 C ATOM 1475 O THR A 212 16.335 35.551 28.528 1.00 38.92 O ATOM 1476 CB THR A 212 14.484 38.340 28.125 1.00 30.85 C ATOM 1477 OG1 THR A 212 14.734 39.736 28.195 1.00 36.98 O ATOM 1478 CG2 THR A 212 14.040 37.810 29.498 1.00 30.85 C ATOM 1479 HG1 THR A 212 13.922 40.200 28.521 1.00 0.00 H ATOM 1480 H THR A 212 15.379 38.758 25.766 1.00 0.00 H ATOM 1481 N TRP A 213 15.148 35.548 26.590 1.00 33.76 N ATOM 1482 CA TRP A 213 15.098 34.093 26.405 1.00 32.64 C ATOM 1483 C TRP A 213 16.511 33.516 26.469 1.00 35.78 C ATOM 1484 O TRP A 213 16.754 32.664 27.301 1.00 33.19 O ATOM 1485 CB TRP A 213 14.427 33.734 25.058 1.00 30.76 C ATOM 1486 CG TRP A 213 14.232 32.264 24.839 1.00 31.11 C ATOM 1487 CD1 TRP A 213 15.010 31.439 24.070 1.00 35.21 C ATOM 1488 CD2 TRP A 213 13.169 31.447 25.366 1.00 29.44 C ATOM 1489 NE1 TRP A 213 14.500 30.163 24.084 1.00 34.74 N ATOM 1490 CE2 TRP A 213 13.367 30.138 24.873 1.00 34.27 C ATOM 1491 CE3 TRP A 213 12.028 31.712 26.158 1.00 29.67 C ATOM 1492 CZ2 TRP A 213 12.525 29.070 25.225 1.00 32.62 C ATOM 1493 CZ3 TRP A 213 11.155 30.669 26.452 1.00 31.03 C ATOM 1494 CH2 TRP A 213 11.418 29.361 26.006 1.00 32.95 C ATOM 1495 HE1 TRP A 213 14.903 29.347 23.581 1.00 0.00 H ATOM 1496 H TRP A 213 14.672 36.145 25.884 1.00 0.00 H ATOM 1497 N ASN A 214 17.450 34.010 25.629 1.00 34.72 N ATOM 1498 CA ASN A 214 18.833 33.500 25.594 1.00 37.24 C ATOM 1499 C ASN A 214 19.624 33.811 26.879 1.00 44.94 C ATOM 1500 O ASN A 214 20.375 32.959 27.322 1.00 45.99 O ATOM 1501 CB ASN A 214 19.610 33.958 24.313 1.00 35.93 C ATOM 1502 CG ASN A 214 18.888 33.730 22.990 1.00 51.41 C ATOM 1503 OD1 ASN A 214 18.079 32.819 22.833 1.00 56.71 O ATOM 1504 ND2 ASN A 214 19.214 34.509 21.973 1.00 43.16 N ATOM 1505 HD22 ASN A 214 19.899 35.280 22.107 1.00 0.00 H ATOM 1506 HD21 ASN A 214 18.785 34.351 21.039 1.00 0.00 H ATOM 1507 H ASN A 214 17.186 34.780 24.982 1.00 0.00 H ATOM 1508 N LEU A 215 19.439 34.997 27.491 1.00 43.58 N ATOM 1509 CA LEU A 215 20.142 35.359 28.726 1.00 45.14 C ATOM 1510 C LEU A 215 19.741 34.461 29.918 1.00 47.90 C ATOM 1511 O LEU A 215 20.541 34.261 30.841 1.00 46.37 O ATOM 1512 CB LEU A 215 19.971 36.846 29.078 1.00 46.57 C ATOM 1513 CG LEU A 215 20.639 37.869 28.132 1.00 56.48 C ATOM 1514 CD1 LEU A 215 20.067 39.270 28.339 1.00 57.65 C ATOM 1515 CD2 LEU A 215 22.178 37.857 28.233 1.00 62.26 C ATOM 1516 H LEU A 215 18.775 35.679 27.073 1.00 0.00 H ATOM 1517 N LEU A 216 18.501 33.925 29.898 1.00 43.00 N ATOM 1518 CA LEU A 216 18.067 33.025 30.946 1.00 40.91 C ATOM 1519 C LEU A 216 18.820 31.696 30.919 1.00 43.02 C ATOM 1520 O LEU A 216 19.140 31.186 31.984 1.00 42.41 O ATOM 1521 CB LEU A 216 16.554 32.792 30.987 1.00 39.70 C ATOM 1522 CG LEU A 216 16.172 31.893 32.182 1.00 44.04 C ATOM 1523 CD1 LEU A 216 16.264 32.632 33.512 1.00 44.59 C ATOM 1524 CD2 LEU A 216 14.970 31.095 31.929 1.00 45.27 C ATOM 1525 H LEU A 216 17.851 34.161 29.121 1.00 0.00 H ATOM 1526 N LEU A 217 19.107 31.142 29.720 1.00 40.49 N ATOM 1527 CA LEU A 217 19.889 29.919 29.611 1.00 40.41 C ATOM 1528 C LEU A 217 21.301 30.193 30.149 1.00 46.68 C ATOM 1529 O LEU A 217 21.853 29.331 30.825 1.00 46.74 O ATOM 1530 CB LEU A 217 19.936 29.361 28.177 1.00 40.89 C ATOM 1531 CG LEU A 217 20.712 28.027 27.967 1.00 46.70 C ATOM 1532 CD1 LEU A 217 20.028 26.833 28.681 1.00 45.51 C ATOM 1533 CD2 LEU A 217 20.897 27.723 26.491 1.00 48.74 C ATOM 1534 H LEU A 217 18.760 31.601 28.854 1.00 0.00 H ATOM 1535 N ASP A 218 21.867 31.399 29.874 1.00 43.93 N ATOM 1536 CA ASP A 218 23.188 31.804 30.374 1.00 43.91 C ATOM 1537 C ASP A 218 23.162 31.859 31.899 1.00 47.42 C ATOM 1538 O ASP A 218 24.053 31.332 32.544 1.00 48.53 O ATOM 1539 CB ASP A 218 23.588 33.172 29.831 1.00 46.06 C ATOM 1540 CG ASP A 218 23.888 33.216 28.351 1.00 54.00 C ATOM 1541 OD1 ASP A 218 24.199 32.155 27.774 1.00 55.09 O ATOM 1542 OD2 ASP A 218 23.868 34.316 27.784 1.00 55.20 O ATOM 1543 H ASP A 218 21.338 32.068 29.280 1.00 0.00 H ATOM 1544 N PHE A 219 22.129 32.483 32.472 1.00 41.20 N ATOM 1545 CA PHE A 219 21.979 32.553 33.920 1.00 40.40 C ATOM 1546 C PHE A 219 21.900 31.141 34.505 1.00 44.14 C ATOM 1547 O PHE A 219 22.667 30.833 35.402 1.00 44.61 O ATOM 1548 CB PHE A 219 20.739 33.369 34.300 1.00 39.17 C ATOM 1549 CG PHE A 219 20.579 33.552 35.785 1.00 39.86 C ATOM 1550 CD1 PHE A 219 21.344 34.485 36.473 1.00 43.70 C ATOM 1551 CD2 PHE A 219 19.643 32.810 36.497 1.00 39.92 C ATOM 1552 CE1 PHE A 219 21.202 34.650 37.850 1.00 44.85 C ATOM 1553 CE2 PHE A 219 19.497 32.982 37.873 1.00 43.07 C ATOM 1554 CZ PHE A 219 20.281 33.901 38.541 1.00 42.81 C ATOM 1555 H PHE A 219 21.411 32.932 31.868 1.00 0.00 H ATOM 1556 N SER A 220 20.995 30.300 33.953 1.00 40.83 N ATOM 1557 CA SER A 220 20.709 28.908 34.319 1.00 40.57 C ATOM 1558 C SER A 220 21.949 28.025 34.374 1.00 47.18 C ATOM 1559 O SER A 220 22.077 27.195 35.281 1.00 47.53 O ATOM 1560 CB SER A 220 19.717 28.310 33.319 1.00 41.45 C ATOM 1561 OG SER A 220 19.412 26.948 33.584 1.00 50.08 O ATOM 1562 HG SER A 220 20.242 26.411 33.542 1.00 0.00 H ATOM 1563 H SER A 220 20.431 30.689 33.171 1.00 0.00 H ATOM 1564 N THR A 221 22.837 28.177 33.382 1.00 45.42 N ATOM 1565 CA THR A 221 24.024 27.342 33.250 1.00 48.34 C ATOM 1566 C THR A 221 25.181 27.806 34.120 1.00 53.28 C ATOM 1567 O THR A 221 26.020 26.988 34.488 1.00 51.00 O ATOM 1568 CB THR A 221 24.435 27.208 31.775 1.00 60.84 C ATOM 1569 OG1 THR A 221 24.711 28.505 31.263 1.00 72.13 O ATOM 1570 CG2 THR A 221 23.369 26.544 30.921 1.00 53.65 C ATOM 1571 HG1 THR A 221 23.900 29.068 31.338 1.00 0.00 H ATOM 1572 H THR A 221 22.672 28.923 32.676 1.00 0.00 H ATOM 1573 N MET A 222 25.211 29.107 34.471 1.00 52.35 N ATOM 1574 CA MET A 222 26.322 29.681 35.228 1.00 55.92 C ATOM 1575 C MET A 222 26.034 29.908 36.718 1.00 57.85 C ATOM 1576 O MET A 222 26.985 29.989 37.486 1.00 59.43 O ATOM 1577 CB MET A 222 26.812 30.981 34.545 1.00 60.79 C ATOM 1578 CG MET A 222 27.388 30.746 33.123 1.00 67.46 C ATOM 1579 SD MET A 222 26.862 31.943 31.835 1.00 72.86 S ATOM 1580 CE MET A 222 26.902 30.905 30.369 1.00 69.59 C ATOM 1581 H MET A 222 24.419 29.722 34.195 1.00 0.00 H ATOM 1582 N ILE A 223 24.748 29.982 37.137 1.00 51.44 N ATOM 1583 CA ILE A 223 24.372 30.267 38.529 1.00 49.52 C ATOM 1584 C ILE A 223 24.532 29.072 39.477 1.00 50.89 C ATOM 1585 O ILE A 223 24.150 27.945 39.165 1.00 48.28 O ATOM 1586 CB ILE A 223 22.943 30.903 38.643 1.00 50.62 C ATOM 1587 CG1 ILE A 223 22.755 31.690 39.985 1.00 51.79 C ATOM 1588 CG2 ILE A 223 21.785 29.884 38.407 1.00 47.86 C ATOM 1589 CD1 ILE A 223 23.604 32.952 40.167 1.00 55.26 C ATOM 1590 H ILE A 223 23.991 29.830 36.441 1.00 0.00 H ATOM 1591 N ALA A 224 25.085 29.351 40.662 1.00 48.88 N ATOM 1592 CA ALA A 224 25.237 28.386 41.745 1.00 48.60 C ATOM 1593 C ALA A 224 23.845 28.193 42.339 1.00 50.58 C ATOM 1594 O ALA A 224 23.011 29.122 42.261 1.00 47.58 O ATOM 1595 CB ALA A 224 26.159 28.956 42.809 1.00 51.60 C ATOM 1596 H ALA A 224 25.429 30.319 40.822 1.00 0.00 H ATOM 1597 N ASP A 225 23.584 26.994 42.911 1.00 48.03 N ATOM 1598 CA ASP A 225 22.322 26.652 43.588 1.00 48.29 C ATOM 1599 C ASP A 225 21.992 27.618 44.745 1.00 54.16 C ATOM 1600 O ASP A 225 20.820 27.779 45.066 1.00 54.51 O ATOM 1601 CB ASP A 225 22.326 25.194 44.100 1.00 50.97 C ATOM 1602 CG ASP A 225 22.047 24.107 43.066 1.00 56.17 C ATOM 1603 OD1 ASP A 225 21.834 24.441 41.902 1.00 55.07 O ATOM 1604 OD2 ASP A 225 21.967 22.927 43.452 1.00 67.10 O ATOM 1605 H ASP A 225 24.325 26.265 42.869 1.00 0.00 H ATOM 1606 N ASP A 226 23.010 28.259 45.358 1.00 52.66 N ATOM 1607 CA ASP A 226 22.828 29.237 46.447 1.00 54.02 C ATOM 1608 C ASP A 226 23.000 30.714 45.997 1.00 58.99 C ATOM 1609 O ASP A 226 22.869 31.619 46.829 1.00 61.00 O ATOM 1610 CB ASP A 226 23.746 28.908 47.639 1.00 57.48 C ATOM 1611 CG ASP A 226 25.227 29.107 47.381 1.00 65.43 C ATOM 1612 OD1 ASP A 226 25.609 29.303 46.202 1.00 61.55 O ATOM 1613 OD2 ASP A 226 26.009 29.043 48.351 1.00 79.89 O ATOM 1614 H ASP A 226 23.979 28.051 45.044 1.00 0.00 H ATOM 1615 N MET A 227 23.315 30.939 44.689 1.00 53.48 N ATOM 1616 CA MET A 227 23.519 32.239 44.011 1.00 53.29 C ATOM 1617 C MET A 227 24.746 33.038 44.517 1.00 63.40 C ATOM 1618 O MET A 227 24.848 34.241 44.245 1.00 65.77 O ATOM 1619 CB MET A 227 22.250 33.122 44.040 1.00 53.71 C ATOM 1620 CG MET A 227 21.096 32.573 43.243 1.00 53.51 C ATOM 1621 SD MET A 227 19.699 33.726 43.190 1.00 55.57 S ATOM 1622 CE MET A 227 18.661 32.903 42.097 1.00 49.27 C ATOM 1623 H MET A 227 23.425 30.093 44.095 1.00 0.00 H ATOM 1624 N SER A 228 25.690 32.362 45.203 1.00 61.02 N ATOM 1625 CA SER A 228 26.907 32.966 45.755 1.00 63.69 C ATOM 1626 C SER A 228 27.861 33.557 44.704 1.00 70.24 C ATOM 1627 O SER A 228 28.577 34.514 45.015 1.00 72.44 O ATOM 1628 CB SER A 228 27.645 31.971 46.642 1.00 65.78 C ATOM 1629 OG SER A 228 28.051 30.832 45.903 1.00 69.23 O ATOM 1630 HG SER A 228 27.254 30.386 45.521 1.00 0.00 H ATOM 1631 H SER A 228 25.545 31.343 45.351 1.00 0.00 H ATOM 1632 N ASN A 229 27.871 32.996 43.469 1.00 65.79 N ATOM 1633 CA ASN A 229 28.736 33.472 42.384 1.00 67.10 C ATOM 1634 C ASN A 229 28.085 34.582 41.538 1.00 71.42 C ATOM 1635 O ASN A 229 28.575 34.882 40.441 1.00 72.33 O ATOM 1636 CB ASN A 229 29.209 32.305 41.502 1.00 64.36 C ATOM 1637 CG ASN A 229 28.130 31.688 40.645 1.00 69.87 C ATOM 1638 OD1 ASN A 229 26.975 31.552 41.063 1.00 54.93 O ATOM 1639 ND2 ASN A 229 28.491 31.300 39.421 1.00 57.71 N ATOM 1640 HD22 ASN A 229 29.472 31.430 39.103 1.00 0.00 H ATOM 1641 HD21 ASN A 229 27.791 30.867 38.785 1.00 0.00 H ATOM 1642 H ASN A 229 27.237 32.193 43.283 1.00 0.00 H ATOM 1643 N TYR A 230 27.000 35.201 42.038 1.00 67.30 N ATOM 1644 CA TYR A 230 26.347 36.263 41.278 1.00 67.14 C ATOM 1645 C TYR A 230 26.965 37.632 41.532 1.00 77.93 C ATOM 1646 O TYR A 230 27.072 38.056 42.687 1.00 79.50 O ATOM 1647 CB TYR A 230 24.822 36.297 41.504 1.00 64.65 C ATOM 1648 CG TYR A 230 24.122 37.234 40.541 1.00 64.20 C ATOM 1649 CD1 TYR A 230 23.854 36.845 39.232 1.00 63.48 C ATOM 1650 CD2 TYR A 230 23.793 38.534 40.916 1.00 66.31 C ATOM 1651 CE1 TYR A 230 23.249 37.714 38.329 1.00 63.58 C ATOM 1652 CE2 TYR A 230 23.195 39.416 40.017 1.00 66.54 C ATOM 1653 CZ TYR A 230 22.925 39.000 38.724 1.00 72.08 C ATOM 1654 OH TYR A 230 22.313 39.852 37.836 1.00 72.21 O ATOM 1655 HH TYR A 230 22.874 40.658 37.714 1.00 0.00 H ATOM 1656 H TYR A 230 26.626 34.922 42.968 1.00 0.00 H ATOM 1657 N ASP A 231 27.324 38.339 40.446 1.00 78.56 N ATOM 1658 CA ASP A 231 27.869 39.696 40.532 1.00 83.82 C ATOM 1659 C ASP A 231 26.846 40.702 39.979 1.00 89.19 C ATOM 1660 O ASP A 231 26.534 40.678 38.783 1.00 87.38 O ATOM 1661 CB ASP A 231 29.238 39.809 39.836 1.00 89.25 C ATOM 1662 H ASP A 231 27.210 37.905 39.508 1.00 0.00 H ATOM 1663 N GLU A 232 26.294 41.553 40.874 1.00 88.41 N ATOM 1664 CA GLU A 232 25.285 42.572 40.545 1.00 88.57 C ATOM 1665 C GLU A 232 25.898 43.900 40.054 1.00 96.93 C ATOM 1666 O GLU A 232 25.153 44.814 39.680 1.00 96.60 O ATOM 1667 CB GLU A 232 24.367 42.819 41.757 1.00 89.68 C ATOM 1668 H GLU A 232 26.605 41.482 41.864 1.00 0.00 H ATOM 1669 N GLU A 233 27.250 43.985 40.027 1.00 96.67 N ATOM 1670 CA GLU A 233 28.027 45.168 39.643 1.00101.18 C ATOM 1671 C GLU A 233 28.089 45.443 38.115 1.00104.38 C ATOM 1672 O GLU A 233 29.180 45.587 37.549 1.00107.88 O ATOM 1673 CB GLU A 233 29.439 45.091 40.252 1.00106.79 C ATOM 1674 H GLU A 233 27.784 43.136 40.303 1.00 0.00 H ATOM 1675 N GLY A 234 26.920 45.558 37.484 1.00 96.13 N ATOM 1676 CA GLY A 234 26.787 45.892 36.068 1.00 95.43 C ATOM 1677 C GLY A 234 26.821 44.761 35.056 1.00 94.66 C ATOM 1678 O GLY A 234 26.147 44.848 34.022 1.00 92.68 O ATOM 1679 H GLY A 234 26.051 45.400 38.033 1.00 0.00 H ATOM 1680 N ALA A 235 27.621 43.704 35.333 1.00 89.11 N ATOM 1681 CA ALA A 235 27.825 42.529 34.473 1.00 86.07 C ATOM 1682 C ALA A 235 26.540 41.952 33.830 1.00 83.03 C ATOM 1683 O ALA A 235 26.556 41.598 32.650 1.00 83.37 O ATOM 1684 CB ALA A 235 28.572 41.446 35.237 1.00 86.77 C ATOM 1685 H ALA A 235 28.138 43.725 36.235 1.00 0.00 H ATOM 1686 N TRP A 236 25.435 41.887 34.580 1.00 73.28 N ATOM 1687 CA TRP A 236 24.168 41.378 34.046 1.00 67.62 C ATOM 1688 C TRP A 236 23.155 42.513 33.892 1.00 69.80 C ATOM 1689 O TRP A 236 23.211 43.461 34.681 1.00 73.51 O ATOM 1690 CB TRP A 236 23.575 40.317 34.989 1.00 62.65 C ATOM 1691 CG TRP A 236 24.362 39.047 35.100 1.00 62.33 C ATOM 1692 CD1 TRP A 236 25.382 38.790 35.965 1.00 67.07 C ATOM 1693 CD2 TRP A 236 24.133 37.833 34.374 1.00 59.44 C ATOM 1694 NE1 TRP A 236 25.818 37.497 35.811 1.00 65.44 N ATOM 1695 CE2 TRP A 236 25.079 36.889 34.829 1.00 64.05 C ATOM 1696 CE3 TRP A 236 23.216 37.449 33.376 1.00 57.64 C ATOM 1697 CZ2 TRP A 236 25.148 35.588 34.315 1.00 61.67 C ATOM 1698 CZ3 TRP A 236 23.292 36.165 32.859 1.00 57.48 C ATOM 1699 CH2 TRP A 236 24.255 35.254 33.320 1.00 59.30 C ATOM 1700 HE1 TRP A 236 26.586 37.051 36.352 1.00 0.00 H ATOM 1701 H TRP A 236 25.475 42.206 35.569 1.00 0.00 H ATOM 1702 N PRO A 237 22.180 42.427 32.955 1.00 61.33 N ATOM 1703 CA PRO A 237 21.149 43.481 32.873 1.00 60.93 C ATOM 1704 C PRO A 237 20.343 43.604 34.173 1.00 61.60 C ATOM 1705 O PRO A 237 20.264 42.640 34.937 1.00 58.97 O ATOM 1706 CB PRO A 237 20.254 43.020 31.713 1.00 59.90 C ATOM 1707 CG PRO A 237 21.073 42.037 30.948 1.00 63.83 C ATOM 1708 CD PRO A 237 21.932 41.363 31.961 1.00 60.12 C ATOM 1709 N VAL A 238 19.756 44.791 34.422 1.00 58.49 N ATOM 1710 CA VAL A 238 18.966 45.131 35.620 1.00 57.38 C ATOM 1711 C VAL A 238 17.801 44.117 35.889 1.00 55.06 C ATOM 1712 O VAL A 238 17.485 43.878 37.047 1.00 54.04 O ATOM 1713 CB VAL A 238 18.491 46.622 35.592 1.00 63.51 C ATOM 1714 CG1 VAL A 238 17.441 46.880 34.513 1.00 61.31 C ATOM 1715 CG2 VAL A 238 18.008 47.098 36.960 1.00 64.54 C ATOM 1716 H VAL A 238 19.870 45.535 33.704 1.00 0.00 H ATOM 1717 N LEU A 239 17.210 43.501 34.846 1.00 49.73 N ATOM 1718 CA LEU A 239 16.136 42.497 35.023 1.00 46.37 C ATOM 1719 C LEU A 239 16.622 41.285 35.861 1.00 49.72 C ATOM 1720 O LEU A 239 15.902 40.802 36.741 1.00 48.01 O ATOM 1721 CB LEU A 239 15.617 42.012 33.658 1.00 43.56 C ATOM 1722 CG LEU A 239 14.598 40.857 33.693 1.00 45.11 C ATOM 1723 CD1 LEU A 239 13.187 41.374 33.966 1.00 44.49 C ATOM 1724 CD2 LEU A 239 14.607 40.098 32.410 1.00 46.24 C ATOM 1725 H LEU A 239 17.519 43.739 33.882 1.00 0.00 H ATOM 1726 N ILE A 240 17.840 40.805 35.567 1.00 55.54 N ATOM 1727 CA ILE A 240 18.432 39.650 36.235 1.00 55.16 C ATOM 1728 C ILE A 240 18.947 40.070 37.618 1.00 59.59 C ATOM 1729 O ILE A 240 18.801 39.287 38.562 1.00 58.67 O ATOM 1730 CB ILE A 240 19.455 38.943 35.298 1.00 58.61 C ATOM 1731 CG1 ILE A 240 18.691 38.370 34.060 1.00 58.08 C ATOM 1732 CG2 ILE A 240 20.243 37.835 36.025 1.00 59.13 C ATOM 1733 CD1 ILE A 240 19.565 37.952 32.828 1.00 73.52 C ATOM 1734 H ILE A 240 18.391 41.281 34.824 1.00 0.00 H ATOM 1735 N ASP A 241 19.424 41.344 37.770 1.00 57.26 N ATOM 1736 CA ASP A 241 19.828 41.904 39.078 1.00 58.09 C ATOM 1737 C ASP A 241 18.576 41.921 39.965 1.00 58.76 C ATOM 1738 O ASP A 241 18.647 41.562 41.142 1.00 59.10 O ATOM 1739 CB ASP A 241 20.360 43.361 38.948 1.00 62.16 C ATOM 1740 CG ASP A 241 21.748 43.560 38.353 1.00 70.54 C ATOM 1741 OD1 ASP A 241 22.452 42.552 38.126 1.00 71.01 O ATOM 1742 OD2 ASP A 241 22.125 44.727 38.106 1.00 74.13 O ATOM 1743 H ASP A 241 19.506 41.946 36.926 1.00 0.00 H ATOM 1744 N ASP A 242 17.421 42.318 39.374 1.00 51.63 N ATOM 1745 CA ASP A 242 16.131 42.336 40.056 1.00 49.99 C ATOM 1746 C ASP A 242 15.660 40.930 40.441 1.00 51.50 C ATOM 1747 O ASP A 242 15.162 40.765 41.555 1.00 51.62 O ATOM 1748 CB ASP A 242 15.075 43.073 39.227 1.00 51.68 C ATOM 1749 CG ASP A 242 15.214 44.591 39.220 1.00 59.24 C ATOM 1750 OD1 ASP A 242 15.871 45.138 40.138 1.00 60.73 O ATOM 1751 OD2 ASP A 242 14.660 45.227 38.310 1.00 64.46 O ATOM 1752 H ASP A 242 17.457 42.626 38.381 1.00 0.00 H ATOM 1753 N PHE A 243 15.841 39.915 39.549 1.00 45.70 N ATOM 1754 CA PHE A 243 15.459 38.530 39.864 1.00 44.15 C ATOM 1755 C PHE A 243 16.282 37.968 41.031 1.00 51.01 C ATOM 1756 O PHE A 243 15.712 37.344 41.927 1.00 51.16 O ATOM 1757 CB PHE A 243 15.531 37.593 38.637 1.00 43.72 C ATOM 1758 CG PHE A 243 15.298 36.142 38.999 1.00 43.84 C ATOM 1759 CD1 PHE A 243 14.086 35.730 39.561 1.00 45.71 C ATOM 1760 CD2 PHE A 243 16.305 35.191 38.822 1.00 45.05 C ATOM 1761 CE1 PHE A 243 13.882 34.391 39.930 1.00 46.14 C ATOM 1762 CE2 PHE A 243 16.089 33.843 39.156 1.00 47.50 C ATOM 1763 CZ PHE A 243 14.873 33.449 39.693 1.00 45.64 C ATOM 1764 H PHE A 243 16.260 40.126 38.621 1.00 0.00 H ATOM 1765 N VAL A 244 17.609 38.200 41.032 1.00 49.38 N ATOM 1766 CA VAL A 244 18.481 37.729 42.122 1.00 50.81 C ATOM 1767 C VAL A 244 18.052 38.367 43.473 1.00 56.69 C ATOM 1768 O VAL A 244 17.955 37.656 44.473 1.00 55.93 O ATOM 1769 CB VAL A 244 19.981 37.925 41.781 1.00 54.99 C ATOM 1770 CG1 VAL A 244 20.872 37.654 42.986 1.00 56.28 C ATOM 1771 CG2 VAL A 244 20.386 37.043 40.601 1.00 53.40 C ATOM 1772 H VAL A 244 18.030 38.727 40.240 1.00 0.00 H ATOM 1773 N GLU A 245 17.720 39.678 43.462 1.00 55.31 N ATOM 1774 CA GLU A 245 17.230 40.429 44.630 1.00 56.94 C ATOM 1775 C GLU A 245 15.961 39.777 45.198 1.00 58.19 C ATOM 1776 O GLU A 245 15.857 39.603 46.405 1.00 57.98 O ATOM 1777 CB GLU A 245 16.923 41.886 44.242 1.00 59.75 C ATOM 1778 CG GLU A 245 18.133 42.804 44.201 1.00 78.18 C ATOM 1779 CD GLU A 245 17.807 44.242 43.842 1.00112.08 C ATOM 1780 OE1 GLU A 245 17.243 44.957 44.703 1.00111.65 O ATOM 1781 OE2 GLU A 245 18.117 44.657 42.701 1.00112.45 O ATOM 1782 H GLU A 245 17.818 40.193 42.564 1.00 0.00 H ATOM 1783 N PHE A 246 15.020 39.395 44.310 1.00 52.20 N ATOM 1784 CA PHE A 246 13.746 38.741 44.616 1.00 50.45 C ATOM 1785 C PHE A 246 13.928 37.303 45.135 1.00 54.52 C ATOM 1786 O PHE A 246 13.265 36.914 46.097 1.00 54.75 O ATOM 1787 CB PHE A 246 12.869 38.734 43.345 1.00 50.57 C ATOM 1788 CG PHE A 246 11.631 37.864 43.355 1.00 51.28 C ATOM 1789 CD1 PHE A 246 10.414 38.361 43.815 1.00 54.62 C ATOM 1790 CD2 PHE A 246 11.670 36.563 42.859 1.00 51.96 C ATOM 1791 CE1 PHE A 246 9.260 37.568 43.787 1.00 55.42 C ATOM 1792 CE2 PHE A 246 10.517 35.773 42.826 1.00 54.65 C ATOM 1793 CZ PHE A 246 9.314 36.287 43.268 1.00 53.85 C ATOM 1794 H PHE A 246 15.219 39.584 43.307 1.00 0.00 H ATOM 1795 N ALA A 247 14.771 36.504 44.460 1.00 50.06 N ATOM 1796 CA ALA A 247 14.972 35.100 44.776 1.00 50.25 C ATOM 1797 C ALA A 247 15.861 34.807 45.996 1.00 58.64 C ATOM 1798 O ALA A 247 15.575 33.833 46.701 1.00 58.95 O ATOM 1799 CB ALA A 247 15.492 34.360 43.556 1.00 49.96 C ATOM 1800 H ALA A 247 15.309 36.912 43.669 1.00 0.00 H ATOM 1801 N ARG A 248 16.947 35.592 46.229 1.00 58.21 N ATOM 1802 CA ARG A 248 17.875 35.367 47.361 1.00 60.81 C ATOM 1803 C ARG A 248 17.176 35.170 48.750 1.00 65.42 C ATOM 1804 O ARG A 248 17.508 34.182 49.406 1.00 65.96 O ATOM 1805 CB ARG A 248 18.963 36.460 47.453 1.00 63.43 C ATOM 1806 CG ARG A 248 20.157 36.199 46.542 1.00 72.30 C ATOM 1807 CD ARG A 248 21.351 37.054 46.921 1.00 76.77 C ATOM 1808 NE ARG A 248 22.541 36.676 46.157 1.00 75.96 N ATOM 1809 CZ ARG A 248 23.340 37.533 45.529 1.00 81.93 C ATOM 1810 NH1 ARG A 248 23.082 38.834 45.553 1.00 64.69 N ATOM 1811 NH2 ARG A 248 24.392 37.093 44.855 1.00 66.89 N ATOM 1812 HE ARG A 248 22.778 35.665 46.102 1.00 0.00 H ATOM 1813 HH12 ARG A 248 23.712 39.498 45.059 1.00 0.00 H ATOM 1814 HH11 ARG A 248 22.250 39.190 46.066 1.00 0.00 H ATOM 1815 HH22 ARG A 248 25.015 37.767 44.365 1.00 0.00 H ATOM 1816 HH21 ARG A 248 24.595 36.074 44.816 1.00 0.00 H ATOM 1817 H ARG A 248 17.134 36.386 45.583 1.00 0.00 H ATOM 1818 N PRO A 249 16.208 36.011 49.215 1.00 61.64 N ATOM 1819 CA PRO A 249 15.571 35.730 50.520 1.00 62.87 C ATOM 1820 C PRO A 249 14.739 34.442 50.541 1.00 66.97 C ATOM 1821 O PRO A 249 14.652 33.777 51.581 1.00 69.33 O ATOM 1822 CB PRO A 249 14.684 36.960 50.773 1.00 64.44 C ATOM 1823 CG PRO A 249 15.126 37.990 49.793 1.00 68.23 C ATOM 1824 CD PRO A 249 15.645 37.236 48.613 1.00 62.88 C ATOM 1825 N GLN A 250 14.150 34.083 49.391 1.00 60.45 N ATOM 1826 CA GLN A 250 13.290 32.910 49.217 1.00 59.88 C ATOM 1827 C GLN A 250 14.056 31.569 49.126 1.00 66.86 C ATOM 1828 O GLN A 250 13.413 30.527 48.993 1.00 68.20 O ATOM 1829 CB GLN A 250 12.352 33.105 48.006 1.00 58.95 C ATOM 1830 CG GLN A 250 11.409 34.293 48.152 1.00 63.49 C ATOM 1831 CD GLN A 250 10.437 34.428 47.007 1.00 77.39 C ATOM 1832 OE1 GLN A 250 9.450 33.695 46.902 1.00 73.91 O ATOM 1833 NE2 GLN A 250 10.653 35.417 46.159 1.00 64.53 N ATOM 1834 HE22 GLN A 250 11.492 36.021 46.268 1.00 0.00 H ATOM 1835 HE21 GLN A 250 9.984 35.591 45.382 1.00 0.00 H ATOM 1836 H GLN A 250 14.317 34.684 48.559 1.00 0.00 H ATOM 1837 N ILE A 251 15.410 31.585 49.203 1.00 63.86 N ATOM 1838 CA ILE A 251 16.251 30.371 49.135 1.00 86.02 C ATOM 1839 C ILE A 251 17.132 30.212 50.385 1.00109.91 C ATOM 1840 O ILE A 251 17.439 31.187 51.070 1.00 71.93 O ATOM 1841 CB ILE A 251 17.082 30.242 47.814 1.00 87.69 C ATOM 1842 CG1 ILE A 251 18.164 31.345 47.686 1.00 87.59 C ATOM 1843 CG2 ILE A 251 16.164 30.183 46.576 1.00 86.75 C ATOM 1844 CD1 ILE A 251 19.232 31.129 46.602 1.00 90.43 C ATOM 1845 H ILE A 251 15.884 32.504 49.316 1.00 0.00 H TER 1846 ILE A 251 HETATM 1847 O HOH 1 24.314 26.567 36.937 1.00 42.08 O HETATM 1848 O HOH 2 18.229 24.891 14.598 1.00 75.72 O HETATM 1849 O HOH 3 -3.161 32.195 31.099 1.00 30.91 O HETATM 1850 O HOH 4 6.934 25.479 4.619 1.00 33.47 O HETATM 1851 O HOH 5 22.089 22.573 46.100 1.00 63.25 O HETATM 1852 O HOH 6 -2.691 13.792 19.090 1.00 63.39 O HETATM 1853 O HOH 7 6.732 30.959 14.852 1.00 24.39 O HETATM 1854 O HOH 8 20.925 25.080 32.382 1.00 58.61 O HETATM 1855 O HOH 9 13.234 41.800 29.057 1.00 53.12 O HETATM 1856 O HOH 10 -0.191 23.773 8.828 1.00 38.11 O HETATM 1857 O HOH 11 10.233 30.207 13.289 1.00 52.44 O HETATM 1858 O HOH 12 8.077 13.268 26.065 1.00 60.11 O HETATM 1859 O HOH 13 12.552 39.659 20.341 1.00 37.01 O HETATM 1860 O HOH 14 -7.389 19.072 20.581 1.00 57.83 O HETATM 1861 O HOH 15 4.768 36.137 19.336 1.00 49.16 O HETATM 1862 O HOH 16 23.782 20.997 42.819 1.00 38.13 O HETATM 1863 O HOH 17 7.084 41.465 42.799 1.00 98.09 O HETATM 1864 O HOH 18 5.526 25.165 11.089 1.00 38.86 O HETATM 1865 O HOH 19 0.036 28.534 15.418 1.00 35.58 O HETATM 1866 O HOH 20 13.458 42.736 42.513 1.00 63.75 O HETATM 1867 O HOH 21 10.129 25.815 7.806 1.00 44.91 O HETATM 1868 O HOH 22 21.024 30.651 24.551 1.00 52.34 O HETATM 1869 O HOH 23 6.459 42.816 16.757 1.00 58.36 O HETATM 1870 O HOH 24 0.980 36.608 31.480 1.00 43.23 O HETATM 1871 O HOH 25 11.993 22.973 6.585 1.00 37.06 O HETATM 1872 O HOH 26 3.947 34.772 21.489 1.00 33.80 O HETATM 1873 O HOH 27 20.361 26.184 37.331 1.00 46.04 O HETATM 1874 O HOH 28 7.438 6.867 20.664 1.00 67.57 O HETATM 1875 O HOH 29 -1.218 37.183 23.654 1.00 41.02 O HETATM 1876 O HOH 30 17.225 41.001 28.893 1.00 61.46 O HETATM 1877 O HOH 31 16.079 30.127 53.378 1.00 76.89 O HETATM 1878 O HOH 32 12.373 28.215 42.007 1.00 38.67 O HETATM 1879 O HOH 33 18.378 27.338 16.598 1.00 45.40 O HETATM 1880 O HOH 34 -5.354 18.205 9.203 1.00 57.28 O HETATM 1881 O HOH 35 4.341 11.667 25.027 1.00 51.40 O HETATM 1882 O HOH 36 6.175 43.517 29.199 1.00 69.86 O HETATM 1883 O HOH 37 21.788 21.116 14.933 1.00 87.73 O HETATM 1884 O HOH 38 15.684 40.556 21.610 1.00 38.98 O HETATM 1885 O HOH 39 6.690 16.433 28.008 1.00 51.82 O HETATM 1886 O HOH 40 14.786 29.268 14.638 1.00 54.91 O HETATM 1887 O HOH 41 4.226 26.382 8.822 1.00 47.02 O HETATM 1888 O HOH 42 19.291 12.732 15.064 1.00 62.57 O HETATM 1889 O HOH 43 -7.585 19.590 9.978 1.00 57.38 O HETATM 1890 O HOH 44 17.058 44.633 31.970 1.00 61.98 O HETATM 1891 O HOH 45 14.127 25.215 44.320 1.00 68.32 O HETATM 1892 O HOH 46 9.091 33.062 14.305 1.00 68.28 O HETATM 1893 O HOH 47 1.011 26.397 -2.090 1.00 65.47 O HETATM 1894 O HOH 48 16.922 47.149 47.185 1.00 74.22 O HETATM 1895 O HOH 49 25.799 33.140 36.937 1.00 48.15 O HETATM 1896 O HOH 50 -6.844 9.174 17.056 1.00 58.31 O HETATM 1897 O HOH 51 20.270 17.763 32.110 1.00 65.85 O HETATM 1898 O HOH 52 20.093 46.644 31.448 1.00 60.37 O HETATM 1899 O HOH 53 0.728 4.485 11.615 1.00 69.29 O HETATM 1900 O HOH 54 -4.507 14.982 20.661 1.00 72.42 O HETATM 1901 O HOH 55 8.634 18.808 -1.167 1.00 68.71 O HETATM 1902 O HOH 56 15.243 18.700 27.625 1.00 83.56 O HETATM 1903 O HOH 57 8.473 45.086 32.222 1.00 74.94 O HETATM 1904 O HOH 58 21.710 25.719 49.756 1.00 65.79 O HETATM 1905 O HOH 59 -0.933 22.163 25.302 1.00 42.07 O HETATM 1906 O HOH 60 -2.526 28.251 16.583 1.00 39.50 O HETATM 1907 C1 PPI A 61 4.290 21.765 20.608 1.00 0.18 C HETATM 1908 C2 PPI A 61 5.203 20.780 21.278 1.00 0.03 C HETATM 1909 C3 PPI A 61 5.649 21.222 22.663 1.00 -0.05 C HETATM 1910 H3 PPI A 61 6.312 20.459 23.096 1.00 0.03 H HETATM 1911 H4 PPI A 61 4.768 21.350 23.309 1.00 0.03 H HETATM 1912 H5 PPI A 61 6.189 22.177 22.587 1.00 0.03 H HETATM 1913 H1 PPI A 61 6.096 20.647 20.649 1.00 0.05 H HETATM 1914 H2 PPI A 61 4.674 19.820 21.371 1.00 0.05 H HETATM 1915 O1 PPI A 61 4.574 22.958 20.505 1.00 -0.40 O HETATM 1916 N PPI A 61 3.165 21.241 20.112 1.00 -0.26 N HETATM 1917 C3 PPI A 61 2.089 22.054 19.568 1.00 0.15 C HETATM 1918 C29 PPI A 61 1.349 21.313 18.453 1.00 0.06 C HETATM 1919 C30 PPI A 61 2.281 20.859 17.372 1.00 0.10 C HETATM 1920 S PPI A 61 3.013 19.277 17.434 1.00 0.01 S HETATM 1921 C36 PPI A 61 3.930 19.683 16.013 1.00 0.05 C HETATM 1922 C35 PPI A 61 4.882 18.927 15.341 1.00 -0.04 C HETATM 1923 C34 PPI A 61 5.506 19.499 14.245 1.00 0.03 C HETATM 1924 CL PPI A 61 6.720 18.576 13.388 1.00 -0.08 CL HETATM 1925 C33 PPI A 61 5.203 20.779 13.815 1.00 -0.06 C HETATM 1926 C32 PPI A 61 4.249 21.523 14.496 1.00 -0.06 C HETATM 1927 C31 PPI A 61 3.602 20.979 15.603 1.00 0.02 C HETATM 1928 N5 PPI A 61 2.650 21.623 16.396 1.00 -0.31 N HETATM 1929 H12 PPI A 61 4.008 22.527 14.166 1.00 0.06 H HETATM 1930 H11 PPI A 61 5.707 21.198 12.952 1.00 0.06 H HETATM 1931 H10 PPI A 61 5.128 17.922 15.664 1.00 0.06 H HETATM 1932 H8 PPI A 61 0.598 21.987 18.015 1.00 0.06 H HETATM 1933 H9 PPI A 61 0.847 20.434 18.882 1.00 0.06 H HETATM 1934 C4 PPI A 61 1.143 22.484 20.689 1.00 0.21 C HETATM 1935 O3 PPI A 61 0.024 21.989 20.793 1.00 -0.39 O HETATM 1936 N7 PPI A 61 1.618 23.406 21.526 1.00 -0.26 N HETATM 1937 C6 PPI A 61 0.955 23.730 22.773 1.00 0.13 C HETATM 1938 C5 PPI A 61 -0.429 24.336 22.576 1.00 0.20 C HETATM 1939 O32 PPI A 61 -1.341 24.009 23.321 1.00 -0.39 O HETATM 1940 N PPI A 61 -0.602 25.158 21.533 1.00 -0.26 N HETATM 1941 CA PPI A 61 -1.899 25.745 21.252 1.00 0.13 C HETATM 1942 CB PPI A 61 -1.784 26.995 20.376 1.00 -0.01 C HETATM 1943 CG PPI A 61 -1.247 28.189 21.157 1.00 -0.04 C HETATM 1944 CD PPI A 61 -1.219 29.473 20.358 1.00 -0.01 C HETATM 1945 CE PPI A 61 -0.227 29.423 19.203 1.00 -0.03 C HETATM 1946 NZ PPI A 61 0.149 30.735 18.664 1.00 0.23 N HETATM 1947 CH1 PPI A 61 1.374 30.646 17.864 1.00 -0.04 C HETATM 1948 H35 PPI A 61 1.631 31.642 17.474 1.00 0.08 H HETATM 1949 H36 PPI A 61 1.214 29.954 17.024 1.00 0.08 H HETATM 1950 H37 PPI A 61 2.197 30.276 18.493 1.00 0.08 H HETATM 1951 CH2 PPI A 61 -0.938 31.321 17.870 1.00 -0.04 C HETATM 1952 H38 PPI A 61 -1.849 31.381 18.483 1.00 0.08 H HETATM 1953 H39 PPI A 61 -1.130 30.691 16.989 1.00 0.08 H HETATM 1954 H40 PPI A 61 -0.650 32.331 17.542 1.00 0.08 H HETATM 1955 H34 PPI A 61 0.330 31.348 19.444 1.00 0.20 H HETATM 1956 H32 PPI A 61 -0.676 28.834 18.390 1.00 0.08 H HETATM 1957 H33 PPI A 61 0.687 28.923 19.557 1.00 0.08 H HETATM 1958 H30 PPI A 61 -0.938 30.299 21.028 1.00 0.03 H HETATM 1959 H31 PPI A 61 -2.224 29.657 19.951 1.00 0.03 H HETATM 1960 H28 PPI A 61 -0.221 27.959 21.482 1.00 0.03 H HETATM 1961 H29 PPI A 61 -1.885 28.343 22.040 1.00 0.03 H HETATM 1962 H26 PPI A 61 -2.780 27.246 19.983 1.00 0.03 H HETATM 1963 H27 PPI A 61 -1.102 26.782 19.540 1.00 0.03 H HETATM 1964 C PPI A 61 -2.928 24.770 20.682 1.00 0.20 C HETATM 1965 O PPI A 61 -4.057 25.171 20.434 1.00 -0.39 O HETATM 1966 N34 PPI A 61 -2.562 23.493 20.517 1.00 -0.27 N HETATM 1967 C35 PPI A 61 -3.487 22.398 20.225 1.00 0.08 C HETATM 1968 C37 PPI A 61 -3.488 21.363 21.347 1.00 0.01 C HETATM 1969 C38 PPI A 61 -3.424 19.949 20.824 1.00 0.07 C HETATM 1970 O39 PPI A 61 -2.380 19.739 19.858 1.00 -0.32 O HETATM 1971 C40 PPI A 61 -2.448 20.586 18.785 1.00 0.10 C HETATM 1972 C41 PPI A 61 -1.965 20.101 17.578 1.00 -0.04 C HETATM 1973 C42 PPI A 61 -2.109 20.871 16.433 1.00 -0.08 C HETATM 1974 C43 PPI A 61 -2.715 22.113 16.502 1.00 -0.08 C HETATM 1975 C44 PPI A 61 -3.162 22.603 17.718 1.00 -0.07 C HETATM 1976 C45 PPI A 61 -3.028 21.851 18.882 1.00 0.01 C HETATM 1977 H50 PPI A 61 -3.622 23.584 17.764 1.00 0.05 H HETATM 1978 H49 PPI A 61 -2.840 22.704 15.602 1.00 0.05 H HETATM 1979 H48 PPI A 61 -1.746 20.499 15.482 1.00 0.05 H HETATM 1980 H47 PPI A 61 -1.481 19.132 17.530 1.00 0.05 H HETATM 1981 H45 PPI A 61 -4.388 19.709 20.352 1.00 0.06 H HETATM 1982 H46 PPI A 61 -3.253 19.271 21.674 1.00 0.06 H HETATM 1983 H43 PPI A 61 -4.410 21.481 21.936 1.00 0.03 H HETATM 1984 H44 PPI A 61 -2.615 21.541 21.993 1.00 0.03 H HETATM 1985 H42 PPI A 61 -4.510 22.791 20.125 1.00 0.07 H HETATM 1986 H41 PPI A 61 -1.590 23.273 20.599 1.00 0.19 H HETATM 1987 H25 PPI A 61 -2.297 26.076 22.223 1.00 0.08 H HETATM 1988 H24 PPI A 61 0.174 25.370 20.939 1.00 0.19 H HETATM 1989 C33 PPI A 61 1.835 24.610 23.644 1.00 -0.00 C HETATM 1990 C34 PPI A 61 2.989 23.823 24.272 1.00 -0.05 C HETATM 1991 C35 PPI A 61 3.336 24.567 25.531 1.00 -0.05 C HETATM 1992 C36 PPI A 61 2.198 25.480 25.822 1.00 -0.05 C HETATM 1993 C37 PPI A 61 1.115 25.153 24.881 1.00 -0.05 C HETATM 1994 H22 PPI A 61 0.446 24.391 25.308 1.00 0.03 H HETATM 1995 H23 PPI A 61 0.534 26.052 24.629 1.00 0.03 H HETATM 1996 H20 PPI A 61 2.511 26.526 25.685 1.00 0.03 H HETATM 1997 H21 PPI A 61 1.854 25.333 26.856 1.00 0.03 H HETATM 1998 H18 PPI A 61 4.259 25.148 25.385 1.00 0.03 H HETATM 1999 H19 PPI A 61 3.475 23.860 26.362 1.00 0.03 H HETATM 2000 H16 PPI A 61 3.852 23.795 23.591 1.00 0.03 H HETATM 2001 H17 PPI A 61 2.673 22.796 24.506 1.00 0.03 H HETATM 2002 H15 PPI A 61 2.218 25.438 23.029 1.00 0.03 H HETATM 2003 H13 PPI A 61 0.811 22.782 23.312 1.00 0.08 H HETATM 2004 H14 PPI A 61 2.459 23.890 21.286 1.00 0.19 H HETATM 2005 H7 PPI A 61 2.533 22.961 19.131 1.00 0.08 H HETATM 2006 H6 PPI A 61 3.059 20.247 20.115 1.00 0.19 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1907 1908 1915 1916 CONECT 1908 1907 1909 1913 1914 CONECT 1909 1908 1910 1911 1912 CONECT 1910 1909 CONECT 1911 1909 CONECT 1912 1909 CONECT 1913 1908 CONECT 1914 1908 CONECT 1915 1907 CONECT 1916 1907 1917 2006 CONECT 1917 1916 1918 1934 2005 CONECT 1918 1917 1919 1932 1933 CONECT 1919 1918 1920 1928 CONECT 1920 1919 1921 CONECT 1921 1920 1922 1927 CONECT 1922 1921 1923 1931 CONECT 1923 1922 1924 1925 CONECT 1924 1923 CONECT 1925 1923 1926 1930 CONECT 1926 1925 1927 1929 CONECT 1927 1921 1926 1928 CONECT 1928 1919 1927 CONECT 1929 1926 CONECT 1930 1925 CONECT 1931 1922 CONECT 1932 1918 CONECT 1933 1918 CONECT 1934 1917 1935 1936 CONECT 1935 1934 CONECT 1936 1934 1937 2004 CONECT 1937 1936 1938 1989 2003 CONECT 1938 1937 1939 1940 CONECT 1939 1938 CONECT 1940 1938 1941 1988 CONECT 1941 1940 1942 1964 1987 CONECT 1942 1941 1943 1962 1963 CONECT 1943 1942 1944 1960 1961 CONECT 1944 1943 1945 1958 1959 CONECT 1945 1944 1946 1956 1957 CONECT 1946 1945 1947 1951 1955 CONECT 1947 1946 1948 1949 1950 CONECT 1948 1947 CONECT 1949 1947 CONECT 1950 1947 CONECT 1951 1946 1952 1953 1954 CONECT 1952 1951 CONECT 1953 1951 CONECT 1954 1951 CONECT 1955 1946 CONECT 1956 1945 CONECT 1957 1945 CONECT 1958 1944 CONECT 1959 1944 CONECT 1960 1943 CONECT 1961 1943 CONECT 1962 1942 CONECT 1963 1942 CONECT 1964 1941 1965 1966 CONECT 1965 1964 CONECT 1966 1964 1967 1986 CONECT 1967 1966 1968 1976 1985 CONECT 1968 1967 1969 1983 1984 CONECT 1969 1968 1970 1981 1982 CONECT 1970 1969 1971 CONECT 1971 1970 1972 1976 CONECT 1972 1971 1973 1980 CONECT 1973 1972 1974 1979 CONECT 1974 1973 1975 1978 CONECT 1975 1974 1976 1977 CONECT 1976 1967 1971 1975 CONECT 1977 1975 CONECT 1978 1974 CONECT 1979 1973 CONECT 1980 1972 CONECT 1981 1969 CONECT 1982 1969 CONECT 1983 1968 CONECT 1984 1968 CONECT 1985 1967 CONECT 1986 1966 CONECT 1987 1941 CONECT 1988 1940 CONECT 1989 1937 1990 1993 2002 CONECT 1990 1989 1991 2000 2001 CONECT 1991 1990 1992 1998 1999 CONECT 1992 1991 1993 1996 1997 CONECT 1993 1989 1992 1994 1995 CONECT 1994 1993 CONECT 1995 1993 CONECT 1996 1992 CONECT 1997 1992 CONECT 1998 1991 CONECT 1999 1991 CONECT 2000 1990 CONECT 2001 1990 CONECT 2002 1989 CONECT 2003 1937 CONECT 2004 1936 CONECT 2005 1917 CONECT 2006 1916 MASTER 0 0 0 0 0 0 0 0 2005 1 104 15 END
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6mub
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Entry Information
PDB ID
6b5q
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
DCN1-like protein 1
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
2.16(Å)
Affinity (Kd/Ki/IC50)
Kd=5.7nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 1934-1950
Ligand Properties
Formula
C
3
7
H
5
0
ClN
6
O
5
S
Molecular Weight
726.348
Exact Mass
725.325
No. of atoms
100
No. of bonds
104
Polar Surface Area
171.2
LOGP Value
5.80 (
Computed with XLOGP3
)
5.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 5
Canonical SMILES
CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1CCOc2c1cccc2)CCCC[NH+](C)C)C1CCCC1)Cc1nc2c(s1)cc(cc2)Cl
InChI String
InChI=1S/C37H49ClN6O5S/c1-4-32(45)39-29(22-33-40-27-17-16-24(38)21-31(27)50-33)36(47)43-34(23-11-5-6-12-23)37(48)42-28(14-9-10-19-44(2)3)35(46)41-26-18-20-49-30-15-8-7-13-25(26)30/h7-8,13,15-17,21,23,26,28-29,34H,4-6,9-12,14,18-20,22H2,1-3H3,(H,39,45)(H,41,46)(H,42,48)(H,43,47)/p+1/t26-,28+,29+,34+/m1/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):
Q96GG9
Entrez Gene ID
NCBI Entrez Gene ID:
54165
ASD
Information of known allosteric effects of PDB entries
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