Browse entries in the PDBbind-CN Database
HEADER 3F7H_COMPLEX COMPND 3F7H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 GLY PRO ALA PHE PRO GLY MET GLY SER GLU GLU LEU ARG SEQRES 2 A 90 LEU ALA SER PHE TYR ASP TRP PRO LEU THR ALA GLU VAL SEQRES 3 A 90 PRO PRO GLU LEU LEU ALA ALA ALA GLY PHE PHE HIS THR SEQRES 4 A 90 GLY HIS GLN ASP LYS VAL ARG CYS PHE PHE CYS TYR GLY SEQRES 5 A 90 GLY LEU GLN SER TRP LYS ARG GLY ASP ASP PRO TRP THR SEQRES 6 A 90 GLU HIS ALA LYS TRP PHE PRO GLY CYS GLN PHE LEU LEU SEQRES 7 A 90 ARG SER LYS GLY GLN GLU TYR ILE ASN ASN ILE HIS HET ZN A 1 1 HET UNN A 203 81 ATOM 1 N GLY A 78 77.523 84.881 21.383 1.00 33.89 N ATOM 2 CA GLY A 78 77.821 84.139 22.641 1.00 28.58 C ATOM 3 C GLY A 78 77.756 82.634 22.454 1.00 26.62 C ATOM 4 O GLY A 78 77.398 82.152 21.378 1.00 29.20 O ATOM 5 HA3 GLY A 78 77.094 84.430 23.400 1.00 0.00 H ATOM 6 HA2 GLY A 78 78.822 84.407 22.977 1.00 0.00 H ATOM 7 HN3 GLY A 78 76.566 84.638 21.057 1.00 0.00 H ATOM 8 HN2 GLY A 78 78.216 84.617 20.654 1.00 0.00 H ATOM 9 HN1 GLY A 78 77.580 85.904 21.563 1.00 0.00 H ATOM 10 N PRO A 79 78.087 81.880 23.509 1.00 25.20 N ATOM 11 CA PRO A 79 78.045 80.421 23.440 1.00 24.57 C ATOM 12 C PRO A 79 76.624 79.892 23.318 1.00 22.96 C ATOM 13 O PRO A 79 75.686 80.499 23.843 1.00 21.82 O ATOM 14 CB PRO A 79 78.678 79.969 24.759 1.00 24.13 C ATOM 15 CG PRO A 79 78.715 81.145 25.621 1.00 25.95 C ATOM 16 CD PRO A 79 78.506 82.372 24.829 1.00 25.25 C ATOM 17 HA PRO A 79 78.567 80.044 22.561 1.00 0.00 H ATOM 18 HD3 PRO A 79 77.729 82.993 25.275 1.00 0.00 H ATOM 19 HD2 PRO A 79 79.430 82.946 24.753 1.00 0.00 H ATOM 20 HG3 PRO A 79 79.685 81.198 26.115 1.00 0.00 H ATOM 21 HG2 PRO A 79 77.930 81.064 26.372 1.00 0.00 H ATOM 22 HB2 PRO A 79 78.076 79.184 25.217 1.00 0.00 H ATOM 23 HB3 PRO A 79 79.688 79.596 24.585 1.00 0.00 H ATOM 24 N ALA A 80 76.480 78.786 22.596 1.00 23.46 N ATOM 25 CA ALA A 80 75.205 78.072 22.494 1.00 23.19 C ATOM 26 C ALA A 80 74.711 77.614 23.868 1.00 22.53 C ATOM 27 O ALA A 80 73.514 77.668 24.148 1.00 21.99 O ATOM 28 CB ALA A 80 75.361 76.864 21.572 1.00 24.00 C ATOM 29 HA ALA A 80 74.466 78.758 22.080 1.00 0.00 H ATOM 30 HB1 ALA A 80 75.666 77.202 20.582 1.00 0.00 H ATOM 31 HB2 ALA A 80 76.119 76.194 21.978 1.00 0.00 H ATOM 32 HB3 ALA A 80 74.409 76.338 21.501 1.00 0.00 H ATOM 33 H ALA A 80 77.304 78.413 22.083 1.00 0.00 H ATOM 34 N PHE A 81 75.650 77.185 24.713 1.00 21.32 N ATOM 35 CA PHE A 81 75.354 76.559 26.006 1.00 21.36 C ATOM 36 C PHE A 81 76.294 77.164 27.061 1.00 22.39 C ATOM 37 O PHE A 81 77.282 76.532 27.454 1.00 22.34 O ATOM 38 CB PHE A 81 75.565 75.041 25.885 1.00 22.70 C ATOM 39 CG PHE A 81 75.110 74.230 27.087 1.00 21.93 C ATOM 40 CD1 PHE A 81 74.629 74.826 28.253 1.00 24.55 C ATOM 41 CD2 PHE A 81 75.197 72.844 27.049 1.00 25.08 C ATOM 42 CE1 PHE A 81 74.232 74.050 29.344 1.00 23.27 C ATOM 43 CE2 PHE A 81 74.800 72.068 28.137 1.00 26.06 C ATOM 44 CZ PHE A 81 74.314 72.674 29.280 1.00 23.57 C ATOM 45 HA PHE A 81 74.321 76.740 26.304 1.00 0.00 H ATOM 46 HB2 PHE A 81 75.013 74.691 25.013 1.00 0.00 H ATOM 47 HB3 PHE A 81 76.629 74.858 25.737 1.00 0.00 H ATOM 48 HD2 PHE A 81 75.582 72.355 26.154 1.00 0.00 H ATOM 49 HE2 PHE A 81 74.873 70.982 28.086 1.00 0.00 H ATOM 50 HZ PHE A 81 73.997 72.067 30.128 1.00 0.00 H ATOM 51 HE1 PHE A 81 73.857 74.532 30.247 1.00 0.00 H ATOM 52 HD1 PHE A 81 74.562 75.912 28.313 1.00 0.00 H ATOM 53 H PHE A 81 76.647 77.301 24.440 1.00 0.00 H ATOM 54 N PRO A 82 75.989 78.391 27.519 1.00 22.16 N ATOM 55 CA PRO A 82 76.871 79.101 28.453 1.00 24.19 C ATOM 56 C PRO A 82 77.158 78.335 29.743 1.00 25.01 C ATOM 57 O PRO A 82 78.234 78.490 30.320 1.00 24.26 O ATOM 58 CB PRO A 82 76.101 80.393 28.765 1.00 24.21 C ATOM 59 CG PRO A 82 75.118 80.551 27.687 1.00 24.28 C ATOM 60 CD PRO A 82 74.802 79.188 27.165 1.00 21.53 C ATOM 61 HA PRO A 82 77.855 79.256 28.010 1.00 0.00 H ATOM 62 HD3 PRO A 82 73.908 78.787 27.643 1.00 0.00 H ATOM 63 HD2 PRO A 82 74.657 79.210 26.085 1.00 0.00 H ATOM 64 HG3 PRO A 82 75.534 81.168 26.891 1.00 0.00 H ATOM 65 HG2 PRO A 82 74.214 81.021 28.073 1.00 0.00 H ATOM 66 HB2 PRO A 82 75.597 80.310 29.728 1.00 0.00 H ATOM 67 HB3 PRO A 82 76.782 81.244 28.785 1.00 0.00 H ATOM 68 N GLY A 83 76.210 77.506 30.175 1.00 23.19 N ATOM 69 CA GLY A 83 76.365 76.704 31.389 1.00 24.85 C ATOM 70 C GLY A 83 77.528 75.726 31.394 1.00 25.90 C ATOM 71 O GLY A 83 77.992 75.328 32.462 1.00 25.38 O ATOM 72 HA3 GLY A 83 75.448 76.133 31.532 1.00 0.00 H ATOM 73 HA2 GLY A 83 76.500 77.388 32.227 1.00 0.00 H ATOM 74 H GLY A 83 75.328 77.426 29.630 1.00 0.00 H ATOM 75 N MET A 84 77.997 75.331 30.211 1.00 23.96 N ATOM 76 CA MET A 84 79.175 74.463 30.103 1.00 24.76 C ATOM 77 C MET A 84 80.438 75.220 29.663 1.00 22.81 C ATOM 78 O MET A 84 81.382 74.611 29.167 1.00 24.33 O ATOM 79 CB MET A 84 78.876 73.277 29.177 1.00 25.87 C ATOM 80 CG MET A 84 78.087 72.174 29.877 1.00 26.65 C ATOM 81 SD MET A 84 79.116 71.309 31.086 1.00 27.95 S ATOM 82 CE MET A 84 78.064 71.469 32.521 1.00 28.22 C ATOM 83 HA MET A 84 79.390 74.082 31.101 1.00 0.00 H ATOM 84 HB2 MET A 84 78.297 73.635 28.326 1.00 0.00 H ATOM 85 HB3 MET A 84 79.820 72.862 28.824 1.00 0.00 H ATOM 86 HG2 MET A 84 77.735 71.460 29.133 1.00 0.00 H ATOM 87 HG3 MET A 84 77.232 72.616 30.388 1.00 0.00 H ATOM 88 HE1 MET A 84 77.906 72.525 32.738 1.00 0.00 H ATOM 89 HE2 MET A 84 77.105 70.991 32.322 1.00 0.00 H ATOM 90 HE3 MET A 84 78.541 70.988 33.375 1.00 0.00 H ATOM 91 H MET A 84 77.517 75.645 29.344 1.00 0.00 H ATOM 92 N GLY A 85 80.464 76.535 29.880 1.00 23.38 N ATOM 93 CA GLY A 85 81.645 77.350 29.597 1.00 24.94 C ATOM 94 C GLY A 85 82.853 77.098 30.494 1.00 28.16 C ATOM 95 O GLY A 85 83.984 77.432 30.125 1.00 28.63 O ATOM 96 HA3 GLY A 85 81.362 78.397 29.702 1.00 0.00 H ATOM 97 HA2 GLY A 85 81.946 77.158 28.567 1.00 0.00 H ATOM 98 H GLY A 85 79.615 76.997 30.264 1.00 0.00 H ATOM 99 N SER A 86 82.620 76.512 31.665 1.00 25.19 N ATOM 100 CA SER A 86 83.687 76.181 32.605 1.00 25.13 C ATOM 101 C SER A 86 84.348 74.849 32.251 1.00 24.29 C ATOM 102 O SER A 86 83.673 73.818 32.183 1.00 23.92 O ATOM 103 CB SER A 86 83.129 76.118 34.029 1.00 25.97 C ATOM 104 OG SER A 86 84.020 75.447 34.905 1.00 24.89 O ATOM 105 HA SER A 86 84.443 76.963 32.542 1.00 0.00 H ATOM 106 HB2 SER A 86 82.178 75.586 34.014 1.00 0.00 H ATOM 107 HB3 SER A 86 82.970 77.133 34.393 1.00 0.00 H ATOM 108 HG SER A 86 83.631 75.423 35.815 1.00 0.00 H ATOM 109 H SER A 86 81.639 76.280 31.921 1.00 0.00 H ATOM 110 N GLU A 87 85.667 74.865 32.045 1.00 23.98 N ATOM 111 CA GLU A 87 86.412 73.635 31.760 1.00 24.86 C ATOM 112 C GLU A 87 86.231 72.583 32.860 1.00 24.33 C ATOM 113 O GLU A 87 86.089 71.390 32.570 1.00 23.71 O ATOM 114 CB GLU A 87 87.910 73.927 31.553 1.00 26.49 C ATOM 115 CG GLU A 87 88.714 72.717 31.053 1.00 25.97 C ATOM 116 CD GLU A 87 90.174 73.032 30.760 1.00 29.81 C ATOM 117 OE1 GLU A 87 90.510 74.219 30.564 1.00 31.31 O ATOM 118 OE2 GLU A 87 90.988 72.083 30.716 1.00 28.85 O ATOM 119 HA GLU A 87 86.001 73.228 30.836 1.00 0.00 H ATOM 120 HB2 GLU A 87 88.006 74.730 30.822 1.00 0.00 H ATOM 121 HB3 GLU A 87 88.332 74.251 32.504 1.00 0.00 H ATOM 122 HG2 GLU A 87 88.676 71.939 31.815 1.00 0.00 H ATOM 123 HG3 GLU A 87 88.250 72.350 30.137 1.00 0.00 H ATOM 124 H GLU A 87 86.177 75.770 32.088 1.00 0.00 H ATOM 125 N GLU A 88 86.225 73.018 34.116 1.00 23.28 N ATOM 126 CA GLU A 88 86.075 72.076 35.235 1.00 24.03 C ATOM 127 C GLU A 88 84.712 71.372 35.204 1.00 23.17 C ATOM 128 O GLU A 88 84.639 70.169 35.474 1.00 22.11 O ATOM 129 CB GLU A 88 86.290 72.774 36.580 1.00 25.22 C ATOM 130 CG GLU A 88 86.261 71.838 37.794 1.00 25.53 C ATOM 131 CD GLU A 88 87.524 70.997 37.983 1.00 31.21 C ATOM 132 OE1 GLU A 88 87.633 70.352 39.052 1.00 32.34 O ATOM 133 OE2 GLU A 88 88.407 70.969 37.097 1.00 34.17 O ATOM 134 HA GLU A 88 86.846 71.314 35.119 1.00 0.00 H ATOM 135 HB2 GLU A 88 87.260 73.270 36.555 1.00 0.00 H ATOM 136 HB3 GLU A 88 85.505 73.520 36.706 1.00 0.00 H ATOM 137 HG2 GLU A 88 86.120 72.445 38.688 1.00 0.00 H ATOM 138 HG3 GLU A 88 85.415 71.160 37.680 1.00 0.00 H ATOM 139 H GLU A 88 86.327 74.035 34.309 1.00 0.00 H ATOM 140 N LEU A 89 83.645 72.107 34.883 1.00 23.29 N ATOM 141 CA LEU A 89 82.318 71.493 34.747 1.00 23.52 C ATOM 142 C LEU A 89 82.281 70.512 33.574 1.00 22.65 C ATOM 143 O LEU A 89 81.699 69.426 33.681 1.00 24.04 O ATOM 144 CB LEU A 89 81.212 72.546 34.585 1.00 23.56 C ATOM 145 CG LEU A 89 80.960 73.529 35.731 1.00 23.47 C ATOM 146 CD1 LEU A 89 79.658 74.319 35.491 1.00 23.05 C ATOM 147 CD2 LEU A 89 80.923 72.845 37.078 1.00 22.70 C ATOM 148 HA LEU A 89 82.129 70.945 35.670 1.00 0.00 H ATOM 149 HB2 LEU A 89 81.458 73.137 33.703 1.00 0.00 H ATOM 150 HB3 LEU A 89 80.280 72.009 34.412 1.00 0.00 H ATOM 151 HG LEU A 89 81.800 74.224 35.746 1.00 0.00 H ATOM 152 HD21 LEU A 89 80.123 72.105 37.086 1.00 0.00 H ATOM 153 HD22 LEU A 89 81.878 72.352 37.260 1.00 0.00 H ATOM 154 HD23 LEU A 89 80.741 73.587 37.856 1.00 0.00 H ATOM 155 HD11 LEU A 89 79.740 74.877 34.558 1.00 0.00 H ATOM 156 HD12 LEU A 89 78.820 73.625 35.429 1.00 0.00 H ATOM 157 HD13 LEU A 89 79.497 75.012 36.317 1.00 0.00 H ATOM 158 H LEU A 89 83.755 73.129 34.727 1.00 0.00 H ATOM 159 N ARG A 90 82.902 70.877 32.453 1.00 24.28 N ATOM 160 CA ARG A 90 83.004 69.952 31.323 1.00 24.21 C ATOM 161 C ARG A 90 83.756 68.673 31.720 1.00 24.59 C ATOM 162 O ARG A 90 83.321 67.569 31.391 1.00 24.65 O ATOM 163 CB ARG A 90 83.673 70.625 30.119 1.00 23.81 C ATOM 164 CG ARG A 90 82.870 71.795 29.582 1.00 24.04 C ATOM 165 CD ARG A 90 83.273 72.162 28.173 1.00 24.54 C ATOM 166 NE ARG A 90 84.665 72.607 28.074 1.00 23.19 N ATOM 167 CZ ARG A 90 85.094 73.852 28.283 1.00 25.74 C ATOM 168 NH1 ARG A 90 84.261 74.824 28.632 1.00 25.64 N ATOM 169 NH2 ARG A 90 86.383 74.136 28.144 1.00 26.00 N ATOM 170 HA ARG A 90 81.992 69.670 31.033 1.00 0.00 H ATOM 171 HB2 ARG A 90 84.656 70.986 30.422 1.00 0.00 H ATOM 172 HB3 ARG A 90 83.788 69.887 29.325 1.00 0.00 H ATOM 173 HG2 ARG A 90 81.813 71.528 29.587 1.00 0.00 H ATOM 174 HG3 ARG A 90 83.029 72.657 30.229 1.00 0.00 H ATOM 175 HD2 ARG A 90 82.625 72.966 27.824 1.00 0.00 H ATOM 176 HD3 ARG A 90 83.141 71.288 27.535 1.00 0.00 H ATOM 177 HE ARG A 90 85.377 71.893 27.820 1.00 0.00 H ATOM 178 HH12 ARG A 90 84.622 75.787 28.789 1.00 0.00 H ATOM 179 HH11 ARG A 90 83.247 74.623 28.749 1.00 0.00 H ATOM 180 HH22 ARG A 90 86.722 75.106 28.306 1.00 0.00 H ATOM 181 HH21 ARG A 90 87.054 73.389 27.873 1.00 0.00 H ATOM 182 H ARG A 90 83.318 71.827 32.380 1.00 0.00 H ATOM 183 N LEU A 91 84.867 68.809 32.437 1.00 23.59 N ATOM 184 CA LEU A 91 85.621 67.628 32.876 1.00 22.89 C ATOM 185 C LEU A 91 84.774 66.717 33.772 1.00 22.78 C ATOM 186 O LEU A 91 84.806 65.487 33.630 1.00 22.94 O ATOM 187 CB LEU A 91 86.916 68.031 33.588 1.00 23.26 C ATOM 188 CG LEU A 91 87.891 66.900 33.942 1.00 22.76 C ATOM 189 CD1 LEU A 91 88.188 66.014 32.726 1.00 23.68 C ATOM 190 CD2 LEU A 91 89.174 67.495 34.505 1.00 24.13 C ATOM 191 HA LEU A 91 85.884 67.064 31.981 1.00 0.00 H ATOM 192 HB2 LEU A 91 87.444 68.732 32.941 1.00 0.00 H ATOM 193 HB3 LEU A 91 86.640 68.532 34.516 1.00 0.00 H ATOM 194 HG LEU A 91 87.428 66.265 34.697 1.00 0.00 H ATOM 195 HD21 LEU A 91 89.628 68.147 33.759 1.00 0.00 H ATOM 196 HD22 LEU A 91 88.943 68.071 35.401 1.00 0.00 H ATOM 197 HD23 LEU A 91 89.866 66.691 34.756 1.00 0.00 H ATOM 198 HD11 LEU A 91 87.260 65.570 32.366 1.00 0.00 H ATOM 199 HD12 LEU A 91 88.633 66.620 31.937 1.00 0.00 H ATOM 200 HD13 LEU A 91 88.882 65.224 33.014 1.00 0.00 H ATOM 201 H LEU A 91 85.205 69.760 32.689 1.00 0.00 H ATOM 202 N ALA A 92 84.004 67.314 34.684 1.00 21.88 N ATOM 203 CA ALA A 92 83.168 66.533 35.596 1.00 22.50 C ATOM 204 C ALA A 92 82.134 65.692 34.841 1.00 22.19 C ATOM 205 O ALA A 92 81.769 64.603 35.289 1.00 22.77 O ATOM 206 CB ALA A 92 82.478 67.446 36.623 1.00 21.95 C ATOM 207 HA ALA A 92 83.825 65.845 36.129 1.00 0.00 H ATOM 208 HB1 ALA A 92 83.234 67.974 37.204 1.00 0.00 H ATOM 209 HB2 ALA A 92 81.850 68.168 36.101 1.00 0.00 H ATOM 210 HB3 ALA A 92 81.863 66.841 37.289 1.00 0.00 H ATOM 211 H ALA A 92 83.998 68.352 34.748 1.00 0.00 H ATOM 212 N SER A 93 81.688 66.184 33.686 1.00 23.51 N ATOM 213 CA SER A 93 80.702 65.469 32.867 1.00 23.80 C ATOM 214 C SER A 93 81.216 64.122 32.348 1.00 24.08 C ATOM 215 O SER A 93 80.412 63.267 31.972 1.00 24.61 O ATOM 216 CB SER A 93 80.229 66.338 31.685 1.00 23.92 C ATOM 217 OG SER A 93 81.164 66.333 30.616 1.00 24.95 O ATOM 218 HA SER A 93 79.859 65.262 33.526 1.00 0.00 H ATOM 219 HB2 SER A 93 80.095 67.363 32.032 1.00 0.00 H ATOM 220 HB3 SER A 93 79.277 65.952 31.322 1.00 0.00 H ATOM 221 HG SER A 93 82.031 66.689 30.936 1.00 0.00 H ATOM 222 H SER A 93 82.049 67.101 33.355 1.00 0.00 H ATOM 223 N PHE A 94 82.541 63.936 32.325 1.00 24.50 N ATOM 224 CA PHE A 94 83.155 62.701 31.806 1.00 23.74 C ATOM 225 C PHE A 94 83.337 61.599 32.855 1.00 22.16 C ATOM 226 O PHE A 94 84.115 60.663 32.644 1.00 23.22 O ATOM 227 CB PHE A 94 84.508 63.010 31.141 1.00 23.85 C ATOM 228 CG PHE A 94 84.382 63.734 29.837 1.00 24.69 C ATOM 229 CD1 PHE A 94 84.154 63.034 28.659 1.00 25.06 C ATOM 230 CD2 PHE A 94 84.461 65.120 29.787 1.00 25.57 C ATOM 231 CE1 PHE A 94 84.011 63.703 27.447 1.00 24.85 C ATOM 232 CE2 PHE A 94 84.324 65.796 28.583 1.00 25.23 C ATOM 233 CZ PHE A 94 84.099 65.087 27.412 1.00 24.95 C ATOM 234 HA PHE A 94 82.449 62.313 31.072 1.00 0.00 H ATOM 235 HB2 PHE A 94 85.095 63.626 31.822 1.00 0.00 H ATOM 236 HB3 PHE A 94 85.029 62.069 30.964 1.00 0.00 H ATOM 237 HD2 PHE A 94 84.633 65.683 30.704 1.00 0.00 H ATOM 238 HE2 PHE A 94 84.393 66.883 28.557 1.00 0.00 H ATOM 239 HZ PHE A 94 83.991 65.617 26.466 1.00 0.00 H ATOM 240 HE1 PHE A 94 83.831 63.142 26.530 1.00 0.00 H ATOM 241 HD1 PHE A 94 84.086 61.946 28.684 1.00 0.00 H ATOM 242 H PHE A 94 83.160 64.690 32.686 1.00 0.00 H ATOM 243 N TYR A 95 82.617 61.676 33.970 1.00 22.18 N ATOM 244 CA TYR A 95 82.821 60.700 35.045 1.00 23.09 C ATOM 245 C TYR A 95 82.584 59.261 34.594 1.00 22.97 C ATOM 246 O TYR A 95 83.227 58.353 35.109 1.00 22.11 O ATOM 247 CB TYR A 95 81.979 61.027 36.285 1.00 23.27 C ATOM 248 CG TYR A 95 80.490 60.816 36.149 1.00 22.47 C ATOM 249 CD1 TYR A 95 79.926 59.558 36.327 1.00 22.55 C ATOM 250 CD2 TYR A 95 79.639 61.882 35.885 1.00 24.29 C ATOM 251 CE1 TYR A 95 78.557 59.363 36.217 1.00 21.42 C ATOM 252 CE2 TYR A 95 78.260 61.695 35.782 1.00 24.57 C ATOM 253 CZ TYR A 95 77.734 60.434 35.939 1.00 23.59 C ATOM 254 OH TYR A 95 76.372 60.237 35.842 1.00 25.08 O ATOM 255 HA TYR A 95 83.873 60.780 35.320 1.00 0.00 H ATOM 256 HB3 TYR A 95 82.146 62.075 36.535 1.00 0.00 H ATOM 257 HB2 TYR A 95 82.332 60.399 37.103 1.00 0.00 H ATOM 258 HD2 TYR A 95 80.055 62.881 35.756 1.00 0.00 H ATOM 259 HE2 TYR A 95 77.605 62.542 35.579 1.00 0.00 H ATOM 260 HE1 TYR A 95 78.134 58.367 36.350 1.00 0.00 H ATOM 261 HD1 TYR A 95 80.571 58.710 36.557 1.00 0.00 H ATOM 262 HH TYR A 95 76.168 59.278 35.980 1.00 0.00 H ATOM 263 H TYR A 95 81.908 62.429 34.080 1.00 0.00 H ATOM 264 N ASP A 96 81.674 59.060 33.639 1.00 23.53 N ATOM 265 CA ASP A 96 81.383 57.713 33.109 1.00 24.57 C ATOM 266 C ASP A 96 81.797 57.567 31.632 1.00 25.12 C ATOM 267 O ASP A 96 81.207 56.783 30.879 1.00 23.65 O ATOM 268 CB ASP A 96 79.894 57.390 33.289 1.00 28.21 C ATOM 269 CG ASP A 96 79.608 55.889 33.352 1.00 31.03 C ATOM 270 OD1 ASP A 96 80.492 55.102 33.768 1.00 32.76 O ATOM 271 OD2 ASP A 96 78.474 55.495 32.997 1.00 36.49 O ATOM 272 HA ASP A 96 81.978 56.998 33.677 1.00 0.00 H ATOM 273 HB2 ASP A 96 79.549 57.848 34.216 1.00 0.00 H ATOM 274 HB3 ASP A 96 79.343 57.813 32.449 1.00 0.00 H ATOM 275 H ASP A 96 81.155 59.876 33.257 1.00 0.00 H ATOM 276 N TRP A 97 82.825 58.306 31.230 1.00 24.08 N ATOM 277 CA TRP A 97 83.377 58.209 29.871 1.00 23.47 C ATOM 278 C TRP A 97 83.948 56.805 29.635 1.00 22.66 C ATOM 279 O TRP A 97 84.712 56.298 30.468 1.00 23.06 O ATOM 280 CB TRP A 97 84.468 59.269 29.697 1.00 23.10 C ATOM 281 CG TRP A 97 85.136 59.320 28.353 1.00 23.16 C ATOM 282 CD1 TRP A 97 86.453 59.047 28.090 1.00 24.11 C ATOM 283 CD2 TRP A 97 84.553 59.719 27.099 1.00 21.95 C ATOM 284 NE1 TRP A 97 86.716 59.225 26.752 1.00 23.08 N ATOM 285 CE2 TRP A 97 85.572 59.638 26.121 1.00 23.76 C ATOM 286 CE3 TRP A 97 83.272 60.126 26.706 1.00 24.12 C ATOM 287 CZ2 TRP A 97 85.351 59.951 24.778 1.00 23.27 C ATOM 288 CZ3 TRP A 97 83.049 60.437 25.363 1.00 23.22 C ATOM 289 CH2 TRP A 97 84.083 60.342 24.415 1.00 24.20 C ATOM 290 HA TRP A 97 82.588 58.384 29.140 1.00 0.00 H ATOM 291 HB2 TRP A 97 84.017 60.244 29.881 1.00 0.00 H ATOM 292 HB3 TRP A 97 85.238 59.079 30.444 1.00 0.00 H ATOM 293 HE1 TRP A 97 87.636 59.071 26.292 1.00 0.00 H ATOM 294 HD1 TRP A 97 87.186 58.734 28.834 1.00 0.00 H ATOM 295 HZ2 TRP A 97 86.154 59.888 24.044 1.00 0.00 H ATOM 296 HH2 TRP A 97 83.876 60.583 23.372 1.00 0.00 H ATOM 297 HZ3 TRP A 97 82.057 60.759 25.045 1.00 0.00 H ATOM 298 HE3 TRP A 97 82.464 60.199 27.434 1.00 0.00 H ATOM 299 H TRP A 97 83.254 58.976 31.900 1.00 0.00 H ATOM 300 N PRO A 98 83.562 56.153 28.521 1.00 22.40 N ATOM 301 CA PRO A 98 84.011 54.781 28.254 1.00 22.51 C ATOM 302 C PRO A 98 85.388 54.610 27.587 1.00 21.32 C ATOM 303 O PRO A 98 85.823 53.471 27.399 1.00 22.28 O ATOM 304 CB PRO A 98 82.922 54.257 27.314 1.00 23.25 C ATOM 305 CG PRO A 98 82.540 55.439 26.527 1.00 23.07 C ATOM 306 CD PRO A 98 82.629 56.621 27.475 1.00 22.38 C ATOM 307 HA PRO A 98 84.145 54.255 29.199 1.00 0.00 H ATOM 308 HD3 PRO A 98 83.023 57.501 26.966 1.00 0.00 H ATOM 309 HD2 PRO A 98 81.653 56.855 27.899 1.00 0.00 H ATOM 310 HG3 PRO A 98 81.523 55.331 26.151 1.00 0.00 H ATOM 311 HG2 PRO A 98 83.224 55.573 25.689 1.00 0.00 H ATOM 312 HB2 PRO A 98 83.311 53.470 26.669 1.00 0.00 H ATOM 313 HB3 PRO A 98 82.072 53.875 27.879 1.00 0.00 H ATOM 314 N LEU A 99 86.054 55.707 27.234 1.00 21.36 N ATOM 315 CA LEU A 99 87.291 55.651 26.439 1.00 22.17 C ATOM 316 C LEU A 99 88.449 56.428 27.075 1.00 23.52 C ATOM 317 O LEU A 99 89.165 57.149 26.391 1.00 23.81 O ATOM 318 CB LEU A 99 87.018 56.194 25.029 1.00 23.29 C ATOM 319 CG LEU A 99 86.035 55.398 24.172 1.00 24.07 C ATOM 320 CD1 LEU A 99 85.738 56.146 22.873 1.00 26.82 C ATOM 321 CD2 LEU A 99 86.580 54.008 23.882 1.00 25.47 C ATOM 322 HA LEU A 99 87.597 54.606 26.396 1.00 0.00 H ATOM 323 HB2 LEU A 99 86.624 57.205 25.133 1.00 0.00 H ATOM 324 HB3 LEU A 99 87.969 56.229 24.497 1.00 0.00 H ATOM 325 HG LEU A 99 85.103 55.287 24.726 1.00 0.00 H ATOM 326 HD21 LEU A 99 87.526 54.094 23.347 1.00 0.00 H ATOM 327 HD22 LEU A 99 86.739 53.478 24.821 1.00 0.00 H ATOM 328 HD23 LEU A 99 85.864 53.459 23.271 1.00 0.00 H ATOM 329 HD11 LEU A 99 85.302 57.118 23.106 1.00 0.00 H ATOM 330 HD12 LEU A 99 86.664 56.286 22.316 1.00 0.00 H ATOM 331 HD13 LEU A 99 85.036 55.566 22.274 1.00 0.00 H ATOM 332 H LEU A 99 85.688 56.634 27.530 1.00 0.00 H ATOM 333 N THR A 100 88.659 56.255 28.377 1.00 24.24 N ATOM 334 CA THR A 100 89.639 57.078 29.094 1.00 25.57 C ATOM 335 C THR A 100 91.057 56.967 28.526 1.00 22.85 C ATOM 336 O THR A 100 91.703 57.985 28.303 1.00 22.44 O ATOM 337 CB THR A 100 89.641 56.779 30.609 1.00 31.13 C ATOM 338 OG1 THR A 100 88.394 57.214 31.167 1.00 35.21 O ATOM 339 CG2 THR A 100 90.777 57.525 31.304 1.00 31.06 C ATOM 340 HA THR A 100 89.316 58.108 28.943 1.00 0.00 H ATOM 341 HB THR A 100 89.779 55.708 30.757 1.00 0.00 H ATOM 342 HG1 THR A 100 87.651 56.728 30.729 1.00 0.00 H ATOM 343 HG23 THR A 100 91.731 57.202 30.887 1.00 0.00 H ATOM 344 HG21 THR A 100 90.655 58.597 31.148 1.00 0.00 H ATOM 345 HG22 THR A 100 90.753 57.307 32.372 1.00 0.00 H ATOM 346 H THR A 100 88.122 55.528 28.892 1.00 0.00 H ATOM 347 N ALA A 101 91.521 55.744 28.274 1.00 21.82 N ATOM 348 CA ALA A 101 92.871 55.524 27.725 1.00 24.37 C ATOM 349 C ALA A 101 92.971 55.959 26.263 1.00 25.27 C ATOM 350 O ALA A 101 94.010 56.460 25.827 1.00 27.68 O ATOM 351 CB ALA A 101 93.272 54.054 27.867 1.00 23.94 C ATOM 352 HA ALA A 101 93.561 56.141 28.301 1.00 0.00 H ATOM 353 HB1 ALA A 101 93.268 53.778 28.921 1.00 0.00 H ATOM 354 HB2 ALA A 101 92.562 53.431 27.324 1.00 0.00 H ATOM 355 HB3 ALA A 101 94.271 53.910 27.456 1.00 0.00 H ATOM 356 H ALA A 101 90.914 54.922 28.470 1.00 0.00 H ATOM 357 N GLU A 102 91.879 55.786 25.522 1.00 23.77 N ATOM 358 CA GLU A 102 91.863 56.002 24.075 1.00 23.32 C ATOM 359 C GLU A 102 91.745 57.480 23.693 1.00 23.47 C ATOM 360 O GLU A 102 92.363 57.918 22.722 1.00 23.78 O ATOM 361 CB GLU A 102 90.725 55.204 23.427 1.00 24.75 C ATOM 362 CG GLU A 102 90.875 53.683 23.537 1.00 25.06 C ATOM 363 CD GLU A 102 90.359 53.098 24.850 1.00 28.67 C ATOM 364 OE1 GLU A 102 90.440 51.863 25.016 1.00 30.99 O ATOM 365 OE2 GLU A 102 89.881 53.855 25.718 1.00 23.90 O ATOM 366 HA GLU A 102 92.823 55.649 23.699 1.00 0.00 H ATOM 367 HB2 GLU A 102 89.790 55.490 23.909 1.00 0.00 H ATOM 368 HB3 GLU A 102 90.683 55.467 22.370 1.00 0.00 H ATOM 369 HG2 GLU A 102 90.322 53.224 22.717 1.00 0.00 H ATOM 370 HG3 GLU A 102 91.932 53.436 23.444 1.00 0.00 H ATOM 371 H GLU A 102 91.001 55.485 25.991 1.00 0.00 H ATOM 372 N VAL A 103 90.935 58.228 24.442 1.00 23.08 N ATOM 373 CA VAL A 103 90.717 59.660 24.203 1.00 22.94 C ATOM 374 C VAL A 103 90.495 60.325 25.557 1.00 23.99 C ATOM 375 O VAL A 103 89.410 60.230 26.119 1.00 23.83 O ATOM 376 CB VAL A 103 89.489 59.940 23.286 1.00 25.85 C ATOM 377 CG1 VAL A 103 89.409 61.435 22.949 1.00 27.62 C ATOM 378 CG2 VAL A 103 89.547 59.115 22.003 1.00 25.55 C ATOM 379 HA VAL A 103 91.591 60.060 23.689 1.00 0.00 H ATOM 380 HB VAL A 103 88.593 59.646 23.832 1.00 0.00 H ATOM 381 HG11 VAL A 103 89.305 62.009 23.870 1.00 0.00 H ATOM 382 HG12 VAL A 103 90.319 61.738 22.431 1.00 0.00 H ATOM 383 HG13 VAL A 103 88.546 61.616 22.308 1.00 0.00 H ATOM 384 HG21 VAL A 103 90.453 59.366 21.452 1.00 0.00 H ATOM 385 HG22 VAL A 103 89.555 58.054 22.255 1.00 0.00 H ATOM 386 HG23 VAL A 103 88.674 59.338 21.390 1.00 0.00 H ATOM 387 H VAL A 103 90.434 57.776 25.233 1.00 0.00 H ATOM 388 N PRO A 104 91.532 60.977 26.105 1.00 23.37 N ATOM 389 CA PRO A 104 91.436 61.485 27.475 1.00 24.03 C ATOM 390 C PRO A 104 90.367 62.560 27.716 1.00 25.06 C ATOM 391 O PRO A 104 90.305 63.541 26.982 1.00 24.58 O ATOM 392 CB PRO A 104 92.829 62.066 27.739 1.00 25.16 C ATOM 393 CG PRO A 104 93.709 61.484 26.700 1.00 24.91 C ATOM 394 CD PRO A 104 92.860 61.227 25.517 1.00 24.54 C ATOM 395 HA PRO A 104 91.130 60.679 28.142 1.00 0.00 H ATOM 396 HD3 PRO A 104 92.838 62.093 24.855 1.00 0.00 H ATOM 397 HD2 PRO A 104 93.213 60.357 24.963 1.00 0.00 H ATOM 398 HG3 PRO A 104 94.147 60.552 27.058 1.00 0.00 H ATOM 399 HG2 PRO A 104 94.505 62.184 26.446 1.00 0.00 H ATOM 400 HB2 PRO A 104 92.810 63.153 27.656 1.00 0.00 H ATOM 401 HB3 PRO A 104 93.176 61.785 28.733 1.00 0.00 H ATOM 402 N PRO A 105 89.540 62.384 28.765 1.00 23.58 N ATOM 403 CA PRO A 105 88.598 63.425 29.182 1.00 23.87 C ATOM 404 C PRO A 105 89.223 64.810 29.389 1.00 24.23 C ATOM 405 O PRO A 105 88.599 65.822 29.059 1.00 25.04 O ATOM 406 CB PRO A 105 88.064 62.890 30.509 1.00 26.14 C ATOM 407 CG PRO A 105 88.176 61.419 30.388 1.00 27.10 C ATOM 408 CD PRO A 105 89.420 61.173 29.599 1.00 26.43 C ATOM 409 HA PRO A 105 87.846 63.594 28.411 1.00 0.00 H ATOM 410 HD3 PRO A 105 90.283 61.064 30.255 1.00 0.00 H ATOM 411 HD2 PRO A 105 89.320 60.281 28.980 1.00 0.00 H ATOM 412 HG3 PRO A 105 87.309 61.013 29.868 1.00 0.00 H ATOM 413 HG2 PRO A 105 88.254 60.961 31.374 1.00 0.00 H ATOM 414 HB2 PRO A 105 88.665 63.255 31.342 1.00 0.00 H ATOM 415 HB3 PRO A 105 87.025 63.187 30.654 1.00 0.00 H ATOM 416 N GLU A 106 90.437 64.851 29.930 1.00 25.65 N ATOM 417 CA GLU A 106 91.138 66.118 30.154 1.00 24.64 C ATOM 418 C GLU A 106 91.270 66.928 28.859 1.00 25.84 C ATOM 419 O GLU A 106 91.067 68.145 28.851 1.00 24.64 O ATOM 420 CB GLU A 106 92.526 65.872 30.751 1.00 25.30 C ATOM 421 CG GLU A 106 92.518 65.422 32.213 1.00 24.56 C ATOM 422 CD GLU A 106 92.263 63.929 32.416 1.00 28.18 C ATOM 423 OE1 GLU A 106 92.315 63.490 33.581 1.00 30.87 O ATOM 424 OE2 GLU A 106 92.031 63.193 31.436 1.00 24.79 O ATOM 425 HA GLU A 106 90.541 66.695 30.860 1.00 0.00 H ATOM 426 HB2 GLU A 106 93.019 65.100 30.160 1.00 0.00 H ATOM 427 HB3 GLU A 106 93.095 66.799 30.683 1.00 0.00 H ATOM 428 HG2 GLU A 106 93.487 65.664 32.649 1.00 0.00 H ATOM 429 HG3 GLU A 106 91.737 65.975 32.735 1.00 0.00 H ATOM 430 H GLU A 106 90.901 63.961 30.201 1.00 0.00 H ATOM 431 N LEU A 107 91.603 66.245 27.768 1.00 25.12 N ATOM 432 CA LEU A 107 91.801 66.907 26.478 1.00 25.53 C ATOM 433 C LEU A 107 90.474 67.255 25.797 1.00 25.18 C ATOM 434 O LEU A 107 90.360 68.308 25.157 1.00 24.97 O ATOM 435 CB LEU A 107 92.665 66.039 25.562 1.00 25.69 C ATOM 436 CG LEU A 107 94.122 65.942 26.024 1.00 28.52 C ATOM 437 CD1 LEU A 107 94.879 64.997 25.143 1.00 31.65 C ATOM 438 CD2 LEU A 107 94.794 67.319 26.034 1.00 32.34 C ATOM 439 HA LEU A 107 92.319 67.847 26.670 1.00 0.00 H ATOM 440 HB2 LEU A 107 92.242 65.035 25.535 1.00 0.00 H ATOM 441 HB3 LEU A 107 92.646 66.467 24.560 1.00 0.00 H ATOM 442 HG LEU A 107 94.130 65.560 27.045 1.00 0.00 H ATOM 443 HD21 LEU A 107 94.775 67.738 25.028 1.00 0.00 H ATOM 444 HD22 LEU A 107 94.256 67.979 26.714 1.00 0.00 H ATOM 445 HD23 LEU A 107 95.827 67.215 26.366 1.00 0.00 H ATOM 446 HD11 LEU A 107 94.421 64.009 25.193 1.00 0.00 H ATOM 447 HD12 LEU A 107 94.852 65.360 24.115 1.00 0.00 H ATOM 448 HD13 LEU A 107 95.913 64.936 25.481 1.00 0.00 H ATOM 449 H LEU A 107 91.726 65.214 27.833 1.00 0.00 H ATOM 450 N LEU A 108 89.486 66.371 25.929 1.00 25.70 N ATOM 451 CA LEU A 108 88.131 66.657 25.447 1.00 24.28 C ATOM 452 C LEU A 108 87.565 67.919 26.107 1.00 24.89 C ATOM 453 O LEU A 108 87.089 68.826 25.413 1.00 24.88 O ATOM 454 CB LEU A 108 87.202 65.465 25.695 1.00 24.41 C ATOM 455 CG LEU A 108 87.468 64.267 24.775 1.00 24.30 C ATOM 456 CD1 LEU A 108 86.943 62.954 25.364 1.00 23.20 C ATOM 457 CD2 LEU A 108 86.875 64.505 23.394 1.00 25.12 C ATOM 458 HA LEU A 108 88.191 66.832 24.373 1.00 0.00 H ATOM 459 HB2 LEU A 108 87.329 65.140 26.728 1.00 0.00 H ATOM 460 HB3 LEU A 108 86.174 65.793 25.543 1.00 0.00 H ATOM 461 HG LEU A 108 88.550 64.171 24.683 1.00 0.00 H ATOM 462 HD21 LEU A 108 85.798 64.649 23.482 1.00 0.00 H ATOM 463 HD22 LEU A 108 87.327 65.394 22.954 1.00 0.00 H ATOM 464 HD23 LEU A 108 87.077 63.642 22.760 1.00 0.00 H ATOM 465 HD11 LEU A 108 87.434 62.763 26.318 1.00 0.00 H ATOM 466 HD12 LEU A 108 85.867 63.031 25.517 1.00 0.00 H ATOM 467 HD13 LEU A 108 87.156 62.137 24.675 1.00 0.00 H ATOM 468 H LEU A 108 89.680 65.457 26.385 1.00 0.00 H ATOM 469 N ALA A 109 87.636 67.978 27.436 1.00 23.63 N ATOM 470 CA ALA A 109 87.157 69.144 28.192 1.00 23.10 C ATOM 471 C ALA A 109 87.910 70.416 27.823 1.00 23.06 C ATOM 472 O ALA A 109 87.300 71.463 27.628 1.00 23.97 O ATOM 473 CB ALA A 109 87.257 68.889 29.708 1.00 23.80 C ATOM 474 HA ALA A 109 86.111 69.290 27.923 1.00 0.00 H ATOM 475 HB1 ALA A 109 86.648 68.024 29.971 1.00 0.00 H ATOM 476 HB2 ALA A 109 88.296 68.698 29.975 1.00 0.00 H ATOM 477 HB3 ALA A 109 86.897 69.765 30.247 1.00 0.00 H ATOM 478 H ALA A 109 88.043 67.174 27.955 1.00 0.00 H ATOM 479 N ALA A 110 89.234 70.327 27.723 1.00 22.98 N ATOM 480 CA ALA A 110 90.052 71.481 27.357 1.00 24.86 C ATOM 481 C ALA A 110 89.650 72.023 25.988 1.00 24.03 C ATOM 482 O ALA A 110 89.690 73.237 25.756 1.00 24.96 O ATOM 483 CB ALA A 110 91.541 71.117 27.385 1.00 24.47 C ATOM 484 HA ALA A 110 89.879 72.267 28.092 1.00 0.00 H ATOM 485 HB1 ALA A 110 91.816 70.793 28.389 1.00 0.00 H ATOM 486 HB2 ALA A 110 91.730 70.310 26.677 1.00 0.00 H ATOM 487 HB3 ALA A 110 92.132 71.990 27.109 1.00 0.00 H ATOM 488 H ALA A 110 89.697 69.415 27.910 1.00 0.00 H ATOM 489 N ALA A 111 89.243 71.122 25.097 1.00 24.73 N ATOM 490 CA ALA A 111 88.869 71.475 23.733 1.00 24.48 C ATOM 491 C ALA A 111 87.416 71.933 23.574 1.00 26.07 C ATOM 492 O ALA A 111 86.945 72.100 22.452 1.00 24.99 O ATOM 493 CB ALA A 111 89.161 70.304 22.790 1.00 24.11 C ATOM 494 HA ALA A 111 89.480 72.338 23.469 1.00 0.00 H ATOM 495 HB1 ALA A 111 90.225 70.070 22.822 1.00 0.00 H ATOM 496 HB2 ALA A 111 88.587 69.433 23.106 1.00 0.00 H ATOM 497 HB3 ALA A 111 88.878 70.578 21.774 1.00 0.00 H ATOM 498 H ALA A 111 89.190 70.124 25.386 1.00 0.00 H ATOM 499 N GLY A 112 86.714 72.144 24.685 1.00 24.30 N ATOM 500 CA GLY A 112 85.360 72.706 24.664 1.00 26.13 C ATOM 501 C GLY A 112 84.232 71.699 24.772 1.00 24.44 C ATOM 502 O GLY A 112 83.059 72.086 24.828 1.00 25.23 O ATOM 503 HA3 GLY A 112 85.236 73.249 23.727 1.00 0.00 H ATOM 504 HA2 GLY A 112 85.272 73.400 25.500 1.00 0.00 H ATOM 505 H GLY A 112 87.142 71.901 25.601 1.00 0.00 H ATOM 506 N PHE A 113 84.575 70.411 24.815 1.00 24.70 N ATOM 507 CA PHE A 113 83.568 69.346 24.780 1.00 24.63 C ATOM 508 C PHE A 113 83.106 68.882 26.154 1.00 24.74 C ATOM 509 O PHE A 113 83.898 68.806 27.090 1.00 24.78 O ATOM 510 CB PHE A 113 84.097 68.135 24.014 1.00 24.39 C ATOM 511 CG PHE A 113 84.462 68.439 22.588 1.00 24.88 C ATOM 512 CD1 PHE A 113 83.473 68.724 21.659 1.00 25.07 C ATOM 513 CD2 PHE A 113 85.785 68.457 22.182 1.00 24.51 C ATOM 514 CE1 PHE A 113 83.788 69.012 20.342 1.00 24.35 C ATOM 515 CE2 PHE A 113 86.116 68.737 20.849 1.00 24.38 C ATOM 516 CZ PHE A 113 85.113 69.016 19.934 1.00 24.67 C ATOM 517 HA PHE A 113 82.706 69.785 24.278 1.00 0.00 H ATOM 518 HB2 PHE A 113 84.985 67.764 24.526 1.00 0.00 H ATOM 519 HB3 PHE A 113 83.328 67.362 24.016 1.00 0.00 H ATOM 520 HD2 PHE A 113 86.575 68.252 22.904 1.00 0.00 H ATOM 521 HE2 PHE A 113 87.159 68.735 20.533 1.00 0.00 H ATOM 522 HZ PHE A 113 85.365 69.238 18.897 1.00 0.00 H ATOM 523 HE1 PHE A 113 82.996 69.235 19.627 1.00 0.00 H ATOM 524 HD1 PHE A 113 82.429 68.721 21.971 1.00 0.00 H ATOM 525 H PHE A 113 85.581 70.156 24.875 1.00 0.00 H ATOM 526 N PHE A 114 81.814 68.576 26.261 1.00 24.70 N ATOM 527 CA PHE A 114 81.273 67.869 27.424 1.00 24.12 C ATOM 528 C PHE A 114 80.640 66.550 26.970 1.00 25.33 C ATOM 529 O PHE A 114 80.245 66.414 25.817 1.00 26.12 O ATOM 530 CB PHE A 114 80.257 68.736 28.177 1.00 25.31 C ATOM 531 CG PHE A 114 79.046 69.118 27.365 1.00 23.79 C ATOM 532 CD1 PHE A 114 77.939 68.282 27.307 1.00 23.01 C ATOM 533 CD2 PHE A 114 79.006 70.321 26.672 1.00 25.02 C ATOM 534 CE1 PHE A 114 76.812 68.630 26.566 1.00 24.45 C ATOM 535 CE2 PHE A 114 77.882 70.673 25.917 1.00 25.33 C ATOM 536 CZ PHE A 114 76.781 69.829 25.876 1.00 25.84 C ATOM 537 HA PHE A 114 82.088 67.653 28.115 1.00 0.00 H ATOM 538 HB2 PHE A 114 79.920 68.184 29.054 1.00 0.00 H ATOM 539 HB3 PHE A 114 80.757 69.651 28.495 1.00 0.00 H ATOM 540 HD2 PHE A 114 79.859 70.998 26.717 1.00 0.00 H ATOM 541 HE2 PHE A 114 77.871 71.610 25.361 1.00 0.00 H ATOM 542 HZ PHE A 114 75.897 70.109 25.303 1.00 0.00 H ATOM 543 HE1 PHE A 114 75.955 67.958 26.530 1.00 0.00 H ATOM 544 HD1 PHE A 114 77.952 67.337 27.851 1.00 0.00 H ATOM 545 H PHE A 114 81.168 68.848 25.493 1.00 0.00 H ATOM 546 N HIS A 115 80.571 65.580 27.878 1.00 24.45 N ATOM 547 CA HIS A 115 79.963 64.278 27.595 1.00 23.95 C ATOM 548 C HIS A 115 78.441 64.353 27.722 1.00 25.82 C ATOM 549 O HIS A 115 77.919 64.788 28.753 1.00 26.52 O ATOM 550 CB HIS A 115 80.504 63.237 28.583 1.00 24.25 C ATOM 551 CG HIS A 115 80.172 61.819 28.232 1.00 24.97 C ATOM 552 ND1 HIS A 115 80.078 60.823 29.182 1.00 25.06 N ATOM 553 CD2 HIS A 115 79.908 61.230 27.042 1.00 23.86 C ATOM 554 CE1 HIS A 115 79.780 59.681 28.589 1.00 25.16 C ATOM 555 NE2 HIS A 115 79.671 59.900 27.291 1.00 24.15 N ATOM 556 HA HIS A 115 80.215 63.990 26.574 1.00 0.00 H ATOM 557 HB2 HIS A 115 81.589 63.334 28.621 1.00 0.00 H ATOM 558 HB3 HIS A 115 80.087 63.451 29.567 1.00 0.00 H ATOM 559 HD2 HIS A 115 79.887 61.720 26.068 1.00 0.00 H ATOM 560 HE1 HIS A 115 79.647 58.720 29.087 1.00 0.00 H ATOM 561 H HIS A 115 80.964 65.753 28.825 1.00 0.00 H ATOM 562 N THR A 116 77.726 63.901 26.693 1.00 26.66 N ATOM 563 CA THR A 116 76.258 63.850 26.750 1.00 25.18 C ATOM 564 C THR A 116 75.742 62.774 27.718 1.00 27.47 C ATOM 565 O THR A 116 74.608 62.854 28.184 1.00 31.12 O ATOM 566 CB THR A 116 75.625 63.585 25.373 1.00 26.02 C ATOM 567 OG1 THR A 116 75.886 62.230 24.972 1.00 26.52 O ATOM 568 CG2 THR A 116 76.151 64.567 24.326 1.00 27.32 C ATOM 569 HA THR A 116 75.962 64.836 27.108 1.00 0.00 H ATOM 570 HB THR A 116 74.548 63.733 25.452 1.00 0.00 H ATOM 571 HG1 THR A 116 76.864 62.086 24.917 1.00 0.00 H ATOM 572 HG23 THR A 116 75.943 65.587 24.649 1.00 0.00 H ATOM 573 HG21 THR A 116 77.227 64.433 24.212 1.00 0.00 H ATOM 574 HG22 THR A 116 75.657 64.379 23.373 1.00 0.00 H ATOM 575 H THR A 116 78.215 63.578 25.834 1.00 0.00 H ATOM 576 N GLY A 117 76.571 61.772 28.002 1.00 27.95 N ATOM 577 CA GLY A 117 76.199 60.653 28.867 1.00 27.63 C ATOM 578 C GLY A 117 75.813 59.406 28.089 1.00 30.48 C ATOM 579 O GLY A 117 75.680 58.324 28.666 1.00 32.24 O ATOM 580 HA3 GLY A 117 75.352 60.956 29.482 1.00 0.00 H ATOM 581 HA2 GLY A 117 77.046 60.414 29.510 1.00 0.00 H ATOM 582 H GLY A 117 77.526 61.786 27.590 1.00 0.00 H ATOM 583 N HIS A 118 75.625 59.553 26.780 1.00 29.08 N ATOM 584 CA HIS A 118 75.265 58.433 25.919 1.00 30.49 C ATOM 585 C HIS A 118 76.456 58.039 25.062 1.00 29.26 C ATOM 586 O HIS A 118 77.032 58.883 24.375 1.00 27.35 O ATOM 587 CB HIS A 118 74.083 58.806 25.027 1.00 35.93 C ATOM 588 CG HIS A 118 72.811 59.037 25.782 1.00 39.39 C ATOM 589 ND1 HIS A 118 71.881 59.982 25.405 1.00 41.79 N ATOM 590 CD2 HIS A 118 72.319 58.450 26.900 1.00 41.66 C ATOM 591 CE1 HIS A 118 70.867 59.962 26.253 1.00 41.18 C ATOM 592 NE2 HIS A 118 71.109 59.043 27.171 1.00 40.98 N ATOM 593 HA HIS A 118 74.977 57.588 26.545 1.00 0.00 H ATOM 594 HB2 HIS A 118 74.334 59.719 24.486 1.00 0.00 H ATOM 595 HB3 HIS A 118 73.919 57.997 24.315 1.00 0.00 H ATOM 596 HD2 HIS A 118 72.794 57.656 27.476 1.00 0.00 H ATOM 597 HE1 HIS A 118 69.982 60.596 26.203 1.00 0.00 H ATOM 598 H HIS A 118 75.738 60.497 26.358 1.00 0.00 H ATOM 599 N GLN A 119 76.826 56.759 25.121 1.00 28.72 N ATOM 600 CA GLN A 119 77.937 56.218 24.338 1.00 29.35 C ATOM 601 C GLN A 119 79.171 57.135 24.452 1.00 28.54 C ATOM 602 O GLN A 119 79.540 57.536 25.561 1.00 27.26 O ATOM 603 CB GLN A 119 77.501 55.996 22.878 1.00 31.74 C ATOM 604 CG GLN A 119 76.366 54.975 22.693 1.00 34.64 C ATOM 605 CD GLN A 119 74.975 55.559 22.902 1.00 39.77 C ATOM 606 OE1 GLN A 119 74.642 56.621 22.367 1.00 42.46 O ATOM 607 NE2 GLN A 119 74.148 54.855 23.671 1.00 41.12 N ATOM 608 HA GLN A 119 78.224 55.246 24.740 1.00 0.00 H ATOM 609 HB2 GLN A 119 77.167 56.952 22.474 1.00 0.00 H ATOM 610 HB3 GLN A 119 78.366 55.647 22.314 1.00 0.00 H ATOM 611 HG2 GLN A 119 76.423 54.577 21.680 1.00 0.00 H ATOM 612 HG3 GLN A 119 76.511 54.166 23.409 1.00 0.00 H ATOM 613 HE22 GLN A 119 74.470 53.965 24.102 1.00 0.00 H ATOM 614 HE21 GLN A 119 73.180 55.195 23.841 1.00 0.00 H ATOM 615 H GLN A 119 76.302 56.118 25.751 1.00 0.00 H ATOM 616 N ASP A 120 79.806 57.464 23.326 1.00 26.29 N ATOM 617 CA ASP A 120 80.944 58.383 23.319 1.00 25.23 C ATOM 618 C ASP A 120 80.594 59.727 22.669 1.00 24.79 C ATOM 619 O ASP A 120 81.467 60.420 22.144 1.00 24.78 O ATOM 620 CB ASP A 120 82.153 57.737 22.626 1.00 25.20 C ATOM 621 CG ASP A 120 81.921 57.470 21.146 1.00 24.41 C ATOM 622 OD1 ASP A 120 80.763 57.543 20.680 1.00 24.66 O ATOM 623 OD2 ASP A 120 82.913 57.170 20.446 1.00 25.75 O ATOM 624 HA ASP A 120 81.205 58.589 24.357 1.00 0.00 H ATOM 625 HB2 ASP A 120 83.009 58.404 22.728 1.00 0.00 H ATOM 626 HB3 ASP A 120 82.371 56.790 23.120 1.00 0.00 H ATOM 627 H ASP A 120 79.482 57.055 22.426 1.00 0.00 H ATOM 628 N LYS A 121 79.322 60.106 22.745 1.00 23.54 N ATOM 629 CA LYS A 121 78.844 61.345 22.145 1.00 23.83 C ATOM 630 C LYS A 121 79.242 62.529 23.024 1.00 24.88 C ATOM 631 O LYS A 121 78.987 62.527 24.226 1.00 27.13 O ATOM 632 CB LYS A 121 77.324 61.309 21.987 1.00 24.73 C ATOM 633 CG LYS A 121 76.824 60.310 20.955 1.00 24.58 C ATOM 634 CD LYS A 121 75.317 60.088 21.080 1.00 27.48 C ATOM 635 CE LYS A 121 74.764 59.244 19.939 1.00 31.73 C ATOM 636 NZ LYS A 121 75.192 57.811 19.999 1.00 36.76 N ATOM 637 HA LYS A 121 79.296 61.455 21.159 1.00 0.00 H ATOM 638 HB2 LYS A 121 76.887 61.051 22.952 1.00 0.00 H ATOM 639 HB3 LYS A 121 76.988 62.303 21.691 1.00 0.00 H ATOM 640 HG2 LYS A 121 77.046 60.689 19.957 1.00 0.00 H ATOM 641 HG3 LYS A 121 77.337 59.360 21.103 1.00 0.00 H ATOM 642 HD2 LYS A 121 75.113 59.581 22.023 1.00 0.00 H ATOM 643 HD3 LYS A 121 74.817 61.057 21.075 1.00 0.00 H ATOM 644 HE2 LYS A 121 75.108 59.669 18.996 1.00 0.00 H ATOM 645 HE3 LYS A 121 73.675 59.282 19.977 1.00 0.00 H ATOM 646 HZ1 LYS A 121 76.230 57.758 19.953 1.00 0.00 H ATOM 647 HZ2 LYS A 121 74.861 57.389 20.890 1.00 0.00 H ATOM 648 HZ3 LYS A 121 74.782 57.294 19.195 1.00 0.00 H ATOM 649 H LYS A 121 78.646 59.498 23.249 1.00 0.00 H ATOM 650 N VAL A 122 79.867 63.533 22.414 1.00 25.29 N ATOM 651 CA VAL A 122 80.216 64.774 23.104 1.00 24.08 C ATOM 652 C VAL A 122 79.706 65.967 22.308 1.00 25.45 C ATOM 653 O VAL A 122 79.352 65.838 21.136 1.00 25.23 O ATOM 654 CB VAL A 122 81.744 64.928 23.310 1.00 24.34 C ATOM 655 CG1 VAL A 122 82.316 63.717 24.055 1.00 24.76 C ATOM 656 CG2 VAL A 122 82.467 65.149 21.977 1.00 26.31 C ATOM 657 HA VAL A 122 79.746 64.735 24.087 1.00 0.00 H ATOM 658 HB VAL A 122 81.912 65.813 23.924 1.00 0.00 H ATOM 659 HG11 VAL A 122 81.836 63.632 25.030 1.00 0.00 H ATOM 660 HG12 VAL A 122 82.128 62.813 23.475 1.00 0.00 H ATOM 661 HG13 VAL A 122 83.390 63.848 24.188 1.00 0.00 H ATOM 662 HG21 VAL A 122 82.289 64.295 21.323 1.00 0.00 H ATOM 663 HG22 VAL A 122 82.087 66.055 21.505 1.00 0.00 H ATOM 664 HG23 VAL A 122 83.537 65.253 22.158 1.00 0.00 H ATOM 665 H VAL A 122 80.116 63.431 21.409 1.00 0.00 H ATOM 666 N ARG A 123 79.664 67.126 22.958 1.00 27.37 N ATOM 667 CA ARG A 123 79.258 68.356 22.297 1.00 26.50 C ATOM 668 C ARG A 123 80.091 69.540 22.779 1.00 23.92 C ATOM 669 O ARG A 123 80.462 69.608 23.946 1.00 25.03 O ATOM 670 CB ARG A 123 77.784 68.622 22.557 1.00 28.31 C ATOM 671 CG ARG A 123 77.157 69.476 21.523 1.00 30.46 C ATOM 672 CD ARG A 123 75.726 69.803 21.870 1.00 31.07 C ATOM 673 NE ARG A 123 74.819 68.660 21.825 1.00 29.66 N ATOM 674 CZ ARG A 123 74.207 68.212 20.732 1.00 29.16 C ATOM 675 NH1 ARG A 123 74.418 68.757 19.533 1.00 31.07 N ATOM 676 NH2 ARG A 123 73.374 67.190 20.838 1.00 34.39 N ATOM 677 HA ARG A 123 79.422 68.236 21.226 1.00 0.00 H ATOM 678 HB2 ARG A 123 77.258 67.667 22.584 1.00 0.00 H ATOM 679 HB3 ARG A 123 77.686 69.117 23.523 1.00 0.00 H ATOM 680 HG2 ARG A 123 77.722 70.404 21.439 1.00 0.00 H ATOM 681 HG3 ARG A 123 77.179 68.951 20.568 1.00 0.00 H ATOM 682 HD2 ARG A 123 75.366 70.552 21.165 1.00 0.00 H ATOM 683 HD3 ARG A 123 75.705 70.216 22.879 1.00 0.00 H ATOM 684 HE ARG A 123 74.637 68.157 22.717 1.00 0.00 H ATOM 685 HH12 ARG A 123 73.924 68.383 18.698 1.00 0.00 H ATOM 686 HH11 ARG A 123 75.077 69.556 19.433 1.00 0.00 H ATOM 687 HH22 ARG A 123 72.887 66.827 19.994 1.00 0.00 H ATOM 688 HH21 ARG A 123 73.206 66.750 21.765 1.00 0.00 H ATOM 689 H ARG A 123 79.928 67.154 23.964 1.00 0.00 H ATOM 690 N CYS A 124 80.393 70.466 21.870 1.00 24.22 N ATOM 691 CA CYS A 124 81.087 71.696 22.244 1.00 24.83 C ATOM 692 C CYS A 124 80.087 72.663 22.857 1.00 24.51 C ATOM 693 O CYS A 124 79.010 72.871 22.302 1.00 24.64 O ATOM 694 CB CYS A 124 81.749 72.338 21.027 1.00 26.29 C ATOM 695 SG CYS A 124 82.412 74.002 21.287 1.00 24.82 S ATOM 696 HA CYS A 124 81.866 71.457 22.968 1.00 0.00 H ATOM 697 HB2 CYS A 124 81.007 72.393 20.231 1.00 0.00 H ATOM 698 HB3 CYS A 124 82.571 71.694 20.713 1.00 0.00 H ATOM 699 HG CYS A 124 82.978 74.459 20.114 1.00 0.00 H ATOM 700 H CYS A 124 80.130 70.310 20.876 1.00 0.00 H ATOM 701 N PHE A 125 80.441 73.262 23.993 1.00 24.85 N ATOM 702 CA PHE A 125 79.537 74.193 24.668 1.00 24.37 C ATOM 703 C PHE A 125 79.281 75.446 23.839 1.00 23.68 C ATOM 704 O PHE A 125 78.233 76.072 23.972 1.00 22.70 O ATOM 705 CB PHE A 125 80.093 74.606 26.035 1.00 24.13 C ATOM 706 CG PHE A 125 81.119 75.709 25.965 1.00 23.14 C ATOM 707 CD1 PHE A 125 82.446 75.421 25.685 1.00 23.39 C ATOM 708 CD2 PHE A 125 80.751 77.036 26.164 1.00 25.25 C ATOM 709 CE1 PHE A 125 83.391 76.430 25.615 1.00 24.04 C ATOM 710 CE2 PHE A 125 81.695 78.055 26.090 1.00 24.72 C ATOM 711 CZ PHE A 125 83.017 77.749 25.819 1.00 24.66 C ATOM 712 HA PHE A 125 78.593 73.664 24.800 1.00 0.00 H ATOM 713 HB2 PHE A 125 79.264 74.946 26.655 1.00 0.00 H ATOM 714 HB3 PHE A 125 80.556 73.734 26.496 1.00 0.00 H ATOM 715 HD2 PHE A 125 79.711 77.280 26.380 1.00 0.00 H ATOM 716 HE2 PHE A 125 81.394 79.091 26.245 1.00 0.00 H ATOM 717 HZ PHE A 125 83.762 78.543 25.766 1.00 0.00 H ATOM 718 HE1 PHE A 125 84.431 76.187 25.399 1.00 0.00 H ATOM 719 HD1 PHE A 125 82.749 74.387 25.518 1.00 0.00 H ATOM 720 H PHE A 125 81.375 73.065 24.406 1.00 0.00 H ATOM 721 N PHE A 126 80.235 75.821 22.990 1.00 22.98 N ATOM 722 CA PHE A 126 80.139 77.098 22.297 1.00 23.77 C ATOM 723 C PHE A 126 79.386 77.018 20.971 1.00 23.85 C ATOM 724 O PHE A 126 78.441 77.788 20.751 1.00 23.51 O ATOM 725 CB PHE A 126 81.517 77.717 22.076 1.00 24.70 C ATOM 726 CG PHE A 126 81.448 79.179 21.762 1.00 23.02 C ATOM 727 CD1 PHE A 126 81.081 79.604 20.496 1.00 24.10 C ATOM 728 CD2 PHE A 126 81.682 80.127 22.745 1.00 24.61 C ATOM 729 CE1 PHE A 126 80.974 80.948 20.209 1.00 24.40 C ATOM 730 CE2 PHE A 126 81.579 81.471 22.462 1.00 25.54 C ATOM 731 CZ PHE A 126 81.223 81.883 21.195 1.00 25.07 C ATOM 732 HA PHE A 126 79.556 77.741 22.956 1.00 0.00 H ATOM 733 HB2 PHE A 126 82.110 77.582 22.981 1.00 0.00 H ATOM 734 HB3 PHE A 126 82.001 77.204 21.245 1.00 0.00 H ATOM 735 HD2 PHE A 126 81.950 79.806 23.752 1.00 0.00 H ATOM 736 HE2 PHE A 126 81.779 82.209 23.239 1.00 0.00 H ATOM 737 HZ PHE A 126 81.138 82.946 20.972 1.00 0.00 H ATOM 738 HE1 PHE A 126 80.694 81.272 19.207 1.00 0.00 H ATOM 739 HD1 PHE A 126 80.875 78.868 19.719 1.00 0.00 H ATOM 740 H PHE A 126 81.052 75.200 22.821 1.00 0.00 H ATOM 741 N CYS A 127 79.825 76.123 20.083 1.00 24.40 N ATOM 742 CA CYS A 127 79.181 75.945 18.773 1.00 23.90 C ATOM 743 C CYS A 127 78.090 74.874 18.773 1.00 24.38 C ATOM 744 O CYS A 127 77.324 74.787 17.817 1.00 22.89 O ATOM 745 CB CYS A 127 80.218 75.643 17.680 1.00 25.37 C ATOM 746 SG CYS A 127 81.076 74.050 17.830 1.00 24.79 S ATOM 747 HA CYS A 127 78.693 76.894 18.553 1.00 0.00 H ATOM 748 HB2 CYS A 127 80.969 76.432 17.703 1.00 0.00 H ATOM 749 HB3 CYS A 127 79.706 75.659 16.718 1.00 0.00 H ATOM 750 HG CYS A 127 81.754 74.006 19.031 1.00 0.00 H ATOM 751 H CYS A 127 80.647 75.534 20.325 1.00 0.00 H ATOM 752 N TYR A 128 78.011 74.091 19.849 1.00 23.88 N ATOM 753 CA TYR A 128 77.021 73.001 20.012 1.00 24.73 C ATOM 754 C TYR A 128 77.229 71.858 19.007 1.00 26.51 C ATOM 755 O TYR A 128 76.332 71.046 18.787 1.00 25.38 O ATOM 756 CB TYR A 128 75.576 73.534 19.944 1.00 24.80 C ATOM 757 CG TYR A 128 74.622 72.911 20.961 1.00 23.57 C ATOM 758 CD1 TYR A 128 74.840 73.055 22.330 1.00 24.12 C ATOM 759 CD2 TYR A 128 73.503 72.186 20.554 1.00 23.84 C ATOM 760 CE1 TYR A 128 73.966 72.494 23.268 1.00 24.55 C ATOM 761 CE2 TYR A 128 72.622 71.621 21.489 1.00 24.72 C ATOM 762 CZ TYR A 128 72.861 71.780 22.843 1.00 26.47 C ATOM 763 OH TYR A 128 71.996 71.229 23.776 1.00 24.71 O ATOM 764 HA TYR A 128 77.185 72.586 21.006 1.00 0.00 H ATOM 765 HB3 TYR A 128 75.186 73.336 18.946 1.00 0.00 H ATOM 766 HB2 TYR A 128 75.601 74.610 20.116 1.00 0.00 H ATOM 767 HD2 TYR A 128 73.309 72.055 19.489 1.00 0.00 H ATOM 768 HE2 TYR A 128 71.752 71.059 21.150 1.00 0.00 H ATOM 769 HE1 TYR A 128 74.156 72.620 24.334 1.00 0.00 H ATOM 770 HD1 TYR A 128 75.708 73.615 22.677 1.00 0.00 H ATOM 771 HH TYR A 128 72.318 71.440 24.688 1.00 0.00 H ATOM 772 H TYR A 128 78.687 74.256 20.622 1.00 0.00 H ATOM 773 N GLY A 129 78.416 71.788 18.414 1.00 25.62 N ATOM 774 CA GLY A 129 78.725 70.737 17.443 1.00 26.07 C ATOM 775 C GLY A 129 78.937 69.425 18.171 1.00 25.32 C ATOM 776 O GLY A 129 79.681 69.375 19.155 1.00 23.93 O ATOM 777 HA3 GLY A 129 79.631 71.001 16.897 1.00 0.00 H ATOM 778 HA2 GLY A 129 77.897 70.634 16.742 1.00 0.00 H ATOM 779 H GLY A 129 79.142 72.496 18.645 1.00 0.00 H ATOM 780 N GLY A 130 78.278 68.368 17.700 1.00 26.51 N ATOM 781 CA GLY A 130 78.395 67.045 18.316 1.00 26.29 C ATOM 782 C GLY A 130 79.346 66.146 17.542 1.00 24.76 C ATOM 783 O GLY A 130 79.379 66.195 16.312 1.00 24.93 O ATOM 784 HA3 GLY A 130 77.410 66.579 18.342 1.00 0.00 H ATOM 785 HA2 GLY A 130 78.768 67.161 19.334 1.00 0.00 H ATOM 786 H GLY A 130 77.662 68.486 16.870 1.00 0.00 H ATOM 787 N LEU A 131 80.110 65.334 18.267 1.00 24.77 N ATOM 788 CA LEU A 131 81.021 64.350 17.676 1.00 25.08 C ATOM 789 C LEU A 131 80.917 63.018 18.415 1.00 25.55 C ATOM 790 O LEU A 131 80.824 62.988 19.643 1.00 24.11 O ATOM 791 CB LEU A 131 82.463 64.841 17.754 1.00 23.74 C ATOM 792 CG LEU A 131 82.845 66.029 16.874 1.00 23.16 C ATOM 793 CD1 LEU A 131 84.240 66.508 17.246 1.00 23.29 C ATOM 794 CD2 LEU A 131 82.759 65.668 15.395 1.00 22.96 C ATOM 795 HA LEU A 131 80.737 64.215 16.632 1.00 0.00 H ATOM 796 HB2 LEU A 131 82.658 65.123 18.789 1.00 0.00 H ATOM 797 HB3 LEU A 131 83.109 64.007 17.478 1.00 0.00 H ATOM 798 HG LEU A 131 82.138 66.840 17.047 1.00 0.00 H ATOM 799 HD21 LEU A 131 83.440 64.844 15.183 1.00 0.00 H ATOM 800 HD22 LEU A 131 81.739 65.369 15.154 1.00 0.00 H ATOM 801 HD23 LEU A 131 83.037 66.534 14.794 1.00 0.00 H ATOM 802 HD11 LEU A 131 84.251 66.812 18.293 1.00 0.00 H ATOM 803 HD12 LEU A 131 84.953 65.698 17.094 1.00 0.00 H ATOM 804 HD13 LEU A 131 84.511 67.356 16.617 1.00 0.00 H ATOM 805 H LEU A 131 80.058 65.401 19.304 1.00 0.00 H ATOM 806 N GLN A 132 80.932 61.922 17.663 1.00 23.40 N ATOM 807 CA GLN A 132 80.923 60.583 18.253 1.00 23.91 C ATOM 808 C GLN A 132 81.843 59.657 17.460 1.00 23.03 C ATOM 809 O GLN A 132 82.560 60.111 16.570 1.00 23.32 O ATOM 810 CB GLN A 132 79.493 60.033 18.324 1.00 23.74 C ATOM 811 CG GLN A 132 78.831 59.767 16.977 1.00 26.36 C ATOM 812 CD GLN A 132 77.482 59.072 17.104 1.00 27.75 C ATOM 813 OE1 GLN A 132 76.485 59.516 16.527 1.00 31.80 O ATOM 814 NE2 GLN A 132 77.447 57.974 17.851 1.00 27.54 N ATOM 815 HA GLN A 132 81.300 60.641 19.274 1.00 0.00 H ATOM 816 HB2 GLN A 132 79.520 59.095 18.878 1.00 0.00 H ATOM 817 HB3 GLN A 132 78.880 60.755 18.864 1.00 0.00 H ATOM 818 HG2 GLN A 132 78.685 60.719 16.467 1.00 0.00 H ATOM 819 HG3 GLN A 132 79.492 59.136 16.383 1.00 0.00 H ATOM 820 HE22 GLN A 132 78.312 57.636 18.319 1.00 0.00 H ATOM 821 HE21 GLN A 132 76.555 57.453 17.968 1.00 0.00 H ATOM 822 H GLN A 132 80.951 62.019 16.628 1.00 0.00 H ATOM 823 N SER A 133 81.832 58.366 17.782 1.00 21.71 N ATOM 824 CA SER A 133 82.674 57.384 17.089 1.00 22.47 C ATOM 825 C SER A 133 84.145 57.810 17.119 1.00 22.97 C ATOM 826 O SER A 133 84.840 57.821 16.092 1.00 23.03 O ATOM 827 CB SER A 133 82.189 57.168 15.653 1.00 23.53 C ATOM 828 OG SER A 133 80.837 56.745 15.643 1.00 25.68 O ATOM 829 HA SER A 133 82.592 56.433 17.615 1.00 0.00 H ATOM 830 HB2 SER A 133 82.807 56.407 15.176 1.00 0.00 H ATOM 831 HB3 SER A 133 82.276 58.103 15.100 1.00 0.00 H ATOM 832 HG SER A 133 80.541 56.611 14.708 1.00 0.00 H ATOM 833 H SER A 133 81.208 58.043 18.548 1.00 0.00 H ATOM 834 N TRP A 134 84.605 58.148 18.319 1.00 24.10 N ATOM 835 CA TRP A 134 85.996 58.521 18.551 1.00 24.57 C ATOM 836 C TRP A 134 86.911 57.317 18.351 1.00 25.70 C ATOM 837 O TRP A 134 86.588 56.198 18.766 1.00 25.32 O ATOM 838 CB TRP A 134 86.166 59.094 19.961 1.00 24.85 C ATOM 839 CG TRP A 134 85.496 60.434 20.124 1.00 24.84 C ATOM 840 CD1 TRP A 134 84.183 60.667 20.410 1.00 24.64 C ATOM 841 CD2 TRP A 134 86.105 61.716 19.960 1.00 23.70 C ATOM 842 NE1 TRP A 134 83.939 62.018 20.450 1.00 25.11 N ATOM 843 CE2 TRP A 134 85.105 62.686 20.176 1.00 24.83 C ATOM 844 CE3 TRP A 134 87.403 62.140 19.652 1.00 24.62 C ATOM 845 CZ2 TRP A 134 85.361 64.053 20.094 1.00 25.32 C ATOM 846 CZ3 TRP A 134 87.659 63.500 19.579 1.00 25.01 C ATOM 847 CH2 TRP A 134 86.646 64.440 19.794 1.00 25.46 C ATOM 848 HA TRP A 134 86.274 59.289 17.829 1.00 0.00 H ATOM 849 HB2 TRP A 134 85.732 58.396 20.677 1.00 0.00 H ATOM 850 HB3 TRP A 134 87.230 59.208 20.166 1.00 0.00 H ATOM 851 HE1 TRP A 134 83.021 62.462 20.654 1.00 0.00 H ATOM 852 HD1 TRP A 134 83.435 59.893 20.582 1.00 0.00 H ATOM 853 HZ2 TRP A 134 84.573 64.787 20.261 1.00 0.00 H ATOM 854 HH2 TRP A 134 86.880 65.502 19.722 1.00 0.00 H ATOM 855 HZ3 TRP A 134 88.668 63.843 19.350 1.00 0.00 H ATOM 856 HE3 TRP A 134 88.197 61.415 19.473 1.00 0.00 H ATOM 857 H TRP A 134 83.947 58.147 19.125 1.00 0.00 H ATOM 858 N LYS A 135 88.040 57.556 17.690 1.00 25.13 N ATOM 859 CA LYS A 135 89.049 56.526 17.464 1.00 25.54 C ATOM 860 C LYS A 135 90.205 56.738 18.424 1.00 23.79 C ATOM 861 O LYS A 135 90.501 57.874 18.809 1.00 24.72 O ATOM 862 CB LYS A 135 89.534 56.560 16.017 1.00 31.66 C ATOM 863 CG LYS A 135 88.426 56.289 15.000 1.00 36.10 C ATOM 864 CD LYS A 135 87.883 54.857 15.103 1.00 39.63 C ATOM 865 CE LYS A 135 86.419 54.768 14.676 1.00 40.38 C ATOM 866 NZ LYS A 135 85.824 53.432 14.955 1.00 41.62 N ATOM 867 HA LYS A 135 88.610 55.545 17.645 1.00 0.00 H ATOM 868 HB2 LYS A 135 89.955 57.545 15.816 1.00 0.00 H ATOM 869 HB3 LYS A 135 90.309 55.804 15.894 1.00 0.00 H ATOM 870 HG2 LYS A 135 87.609 56.988 15.176 1.00 0.00 H ATOM 871 HG3 LYS A 135 88.824 56.443 13.997 1.00 0.00 H ATOM 872 HD2 LYS A 135 88.477 54.208 14.460 1.00 0.00 H ATOM 873 HD3 LYS A 135 87.970 54.521 16.136 1.00 0.00 H ATOM 874 HE2 LYS A 135 86.354 54.963 13.606 1.00 0.00 H ATOM 875 HE3 LYS A 135 85.850 55.524 15.217 1.00 0.00 H ATOM 876 HZ1 LYS A 135 86.354 52.703 14.437 1.00 0.00 H ATOM 877 HZ2 LYS A 135 85.873 53.238 15.976 1.00 0.00 H ATOM 878 HZ3 LYS A 135 84.831 53.425 14.647 1.00 0.00 H ATOM 879 H LYS A 135 88.210 58.513 17.320 1.00 0.00 H ATOM 880 N ARG A 136 90.842 55.642 18.830 1.00 22.75 N ATOM 881 CA ARG A 136 91.958 55.731 19.758 1.00 23.43 C ATOM 882 C ARG A 136 93.019 56.652 19.157 1.00 23.68 C ATOM 883 O ARG A 136 93.320 56.572 17.964 1.00 20.88 O ATOM 884 CB ARG A 136 92.521 54.338 20.111 1.00 25.25 C ATOM 885 CG ARG A 136 93.131 53.550 18.960 1.00 27.57 C ATOM 886 CD ARG A 136 93.744 52.213 19.431 1.00 29.67 C ATOM 887 NE ARG A 136 94.543 51.608 18.360 1.00 32.02 N ATOM 888 CZ ARG A 136 95.440 50.626 18.505 1.00 34.66 C ATOM 889 NH1 ARG A 136 95.707 50.088 19.690 1.00 33.66 N ATOM 890 NH2 ARG A 136 96.091 50.180 17.437 1.00 35.03 N ATOM 891 HA ARG A 136 91.615 56.155 20.702 1.00 0.00 H ATOM 892 HB2 ARG A 136 93.293 54.473 20.869 1.00 0.00 H ATOM 893 HB3 ARG A 136 91.706 53.745 20.526 1.00 0.00 H ATOM 894 HG2 ARG A 136 92.353 53.341 18.226 1.00 0.00 H ATOM 895 HG3 ARG A 136 93.913 54.152 18.497 1.00 0.00 H ATOM 896 HD2 ARG A 136 92.942 51.529 19.711 1.00 0.00 H ATOM 897 HD3 ARG A 136 94.382 52.396 20.296 1.00 0.00 H ATOM 898 HE ARG A 136 94.399 51.977 17.398 1.00 0.00 H ATOM 899 HH12 ARG A 136 96.410 49.326 19.768 1.00 0.00 H ATOM 900 HH11 ARG A 136 95.213 50.429 20.539 1.00 0.00 H ATOM 901 HH22 ARG A 136 96.791 49.417 17.536 1.00 0.00 H ATOM 902 HH21 ARG A 136 95.901 50.594 16.502 1.00 0.00 H ATOM 903 H ARG A 136 90.538 54.711 18.479 1.00 0.00 H ATOM 904 N GLY A 137 93.542 57.557 19.981 1.00 22.91 N ATOM 905 CA GLY A 137 94.546 58.519 19.540 1.00 23.98 C ATOM 906 C GLY A 137 94.012 59.782 18.876 1.00 24.18 C ATOM 907 O GLY A 137 94.803 60.653 18.503 1.00 22.78 O ATOM 908 HA3 GLY A 137 95.199 58.017 18.826 1.00 0.00 H ATOM 909 HA2 GLY A 137 95.126 58.820 20.412 1.00 0.00 H ATOM 910 H GLY A 137 93.225 57.579 20.971 1.00 0.00 H ATOM 911 N ASP A 138 92.691 59.893 18.704 1.00 22.76 N ATOM 912 CA ASP A 138 92.089 61.132 18.182 1.00 24.00 C ATOM 913 C ASP A 138 92.501 62.316 19.053 1.00 24.06 C ATOM 914 O ASP A 138 92.559 62.198 20.277 1.00 24.19 O ATOM 915 CB ASP A 138 90.551 61.064 18.175 1.00 23.96 C ATOM 916 CG ASP A 138 89.974 60.455 16.913 1.00 26.18 C ATOM 917 OD1 ASP A 138 90.715 60.176 15.950 1.00 24.14 O ATOM 918 OD2 ASP A 138 88.742 60.249 16.901 1.00 26.82 O ATOM 919 HA ASP A 138 92.445 61.254 17.159 1.00 0.00 H ATOM 920 HB2 ASP A 138 90.229 60.463 19.026 1.00 0.00 H ATOM 921 HB3 ASP A 138 90.161 62.077 18.278 1.00 0.00 H ATOM 922 H ASP A 138 92.076 59.089 18.943 1.00 0.00 H ATOM 923 N ASP A 139 92.787 63.450 18.409 1.00 24.78 N ATOM 924 CA ASP A 139 93.141 64.687 19.104 1.00 25.59 C ATOM 925 C ASP A 139 91.898 65.577 19.090 1.00 23.96 C ATOM 926 O ASP A 139 91.473 66.016 18.022 1.00 22.13 O ATOM 927 CB ASP A 139 94.314 65.375 18.402 1.00 27.84 C ATOM 928 CG ASP A 139 94.811 66.611 19.145 1.00 31.82 C ATOM 929 OD1 ASP A 139 93.997 67.468 19.518 1.00 41.43 O ATOM 930 OD2 ASP A 139 96.029 66.730 19.350 1.00 38.19 O ATOM 931 HA ASP A 139 93.454 64.485 20.128 1.00 0.00 H ATOM 932 HB2 ASP A 139 95.136 64.664 18.321 1.00 0.00 H ATOM 933 HB3 ASP A 139 93.995 65.674 17.404 1.00 0.00 H ATOM 934 H ASP A 139 92.757 63.454 17.369 1.00 0.00 H ATOM 935 N PRO A 140 91.294 65.816 20.263 1.00 24.11 N ATOM 936 CA PRO A 140 90.072 66.620 20.324 1.00 24.90 C ATOM 937 C PRO A 140 90.142 67.997 19.651 1.00 23.85 C ATOM 938 O PRO A 140 89.184 68.377 18.983 1.00 25.66 O ATOM 939 CB PRO A 140 89.805 66.740 21.825 1.00 26.92 C ATOM 940 CG PRO A 140 90.405 65.485 22.395 1.00 26.19 C ATOM 941 CD PRO A 140 91.655 65.285 21.594 1.00 25.32 C ATOM 942 HA PRO A 140 89.275 66.138 19.758 1.00 0.00 H ATOM 943 HD3 PRO A 140 92.488 65.841 22.024 1.00 0.00 H ATOM 944 HD2 PRO A 140 91.917 64.229 21.535 1.00 0.00 H ATOM 945 HG3 PRO A 140 89.727 64.641 22.273 1.00 0.00 H ATOM 946 HG2 PRO A 140 90.638 65.612 23.452 1.00 0.00 H ATOM 947 HB2 PRO A 140 90.290 67.625 22.237 1.00 0.00 H ATOM 948 HB3 PRO A 140 88.735 66.786 22.027 1.00 0.00 H ATOM 949 N TRP A 141 91.241 68.733 19.818 1.00 23.40 N ATOM 950 CA TRP A 141 91.379 70.035 19.145 1.00 25.81 C ATOM 951 C TRP A 141 91.414 69.893 17.616 1.00 26.20 C ATOM 952 O TRP A 141 90.807 70.694 16.903 1.00 25.50 O ATOM 953 CB TRP A 141 92.630 70.787 19.613 1.00 28.24 C ATOM 954 CG TRP A 141 92.466 71.654 20.839 1.00 27.92 C ATOM 955 CD1 TRP A 141 93.261 71.648 21.947 1.00 29.68 C ATOM 956 CD2 TRP A 141 91.488 72.684 21.056 1.00 27.38 C ATOM 957 NE1 TRP A 141 92.829 72.592 22.846 1.00 30.12 N ATOM 958 CE2 TRP A 141 91.746 73.245 22.324 1.00 29.58 C ATOM 959 CE3 TRP A 141 90.415 73.179 20.309 1.00 27.87 C ATOM 960 CZ2 TRP A 141 90.972 74.278 22.860 1.00 29.23 C ATOM 961 CZ3 TRP A 141 89.640 74.203 20.848 1.00 28.86 C ATOM 962 CH2 TRP A 141 89.929 74.743 22.105 1.00 28.35 C ATOM 963 HA TRP A 141 90.496 70.611 19.421 1.00 0.00 H ATOM 964 HB2 TRP A 141 93.402 70.048 19.828 1.00 0.00 H ATOM 965 HB3 TRP A 141 92.960 71.427 18.794 1.00 0.00 H ATOM 966 HE1 TRP A 141 93.257 72.780 23.775 1.00 0.00 H ATOM 967 HD1 TRP A 141 94.116 70.989 22.097 1.00 0.00 H ATOM 968 HZ2 TRP A 141 91.191 74.698 23.842 1.00 0.00 H ATOM 969 HH2 TRP A 141 89.310 75.552 22.492 1.00 0.00 H ATOM 970 HZ3 TRP A 141 88.794 74.590 20.280 1.00 0.00 H ATOM 971 HE3 TRP A 141 90.189 72.771 19.324 1.00 0.00 H ATOM 972 H TRP A 141 92.007 68.384 20.429 1.00 0.00 H ATOM 973 N THR A 142 92.137 68.888 17.122 1.00 22.90 N ATOM 974 CA THR A 142 92.193 68.598 15.687 1.00 23.36 C ATOM 975 C THR A 142 90.799 68.294 15.128 1.00 23.78 C ATOM 976 O THR A 142 90.403 68.828 14.081 1.00 21.93 O ATOM 977 CB THR A 142 93.120 67.400 15.376 1.00 23.34 C ATOM 978 OG1 THR A 142 94.461 67.694 15.797 1.00 21.95 O ATOM 979 CG2 THR A 142 93.120 67.097 13.883 1.00 23.24 C ATOM 980 HA THR A 142 92.595 69.492 15.210 1.00 0.00 H ATOM 981 HB THR A 142 92.747 66.530 15.917 1.00 0.00 H ATOM 982 HG1 THR A 142 95.046 66.922 15.594 1.00 0.00 H ATOM 983 HG23 THR A 142 92.104 66.873 13.559 1.00 0.00 H ATOM 984 HG21 THR A 142 93.494 67.964 13.338 1.00 0.00 H ATOM 985 HG22 THR A 142 93.762 66.238 13.688 1.00 0.00 H ATOM 986 H THR A 142 92.680 68.290 17.777 1.00 0.00 H ATOM 987 N GLU A 143 90.063 67.431 15.823 1.00 23.31 N ATOM 988 CA GLU A 143 88.704 67.076 15.412 1.00 23.94 C ATOM 989 C GLU A 143 87.771 68.287 15.461 1.00 23.70 C ATOM 990 O GLU A 143 86.922 68.438 14.592 1.00 26.14 O ATOM 991 CB GLU A 143 88.140 65.938 16.273 1.00 22.90 C ATOM 992 CG GLU A 143 88.928 64.623 16.195 1.00 23.67 C ATOM 993 CD GLU A 143 89.038 64.072 14.783 1.00 24.47 C ATOM 994 OE1 GLU A 143 87.990 63.796 14.165 1.00 25.09 O ATOM 995 OE2 GLU A 143 90.173 63.912 14.284 1.00 25.26 O ATOM 996 HA GLU A 143 88.762 66.730 14.380 1.00 0.00 H ATOM 997 HB2 GLU A 143 88.133 66.269 17.312 1.00 0.00 H ATOM 998 HB3 GLU A 143 87.118 65.741 15.949 1.00 0.00 H ATOM 999 HG2 GLU A 143 89.933 64.798 16.578 1.00 0.00 H ATOM 1000 HG3 GLU A 143 88.428 63.882 16.818 1.00 0.00 H ATOM 1001 H GLU A 143 90.463 66.998 16.680 1.00 0.00 H ATOM 1002 N HIS A 144 87.940 69.143 16.470 1.00 25.12 N ATOM 1003 CA HIS A 144 87.141 70.374 16.597 1.00 23.98 C ATOM 1004 C HIS A 144 87.348 71.259 15.367 1.00 24.48 C ATOM 1005 O HIS A 144 86.388 71.740 14.771 1.00 26.56 O ATOM 1006 CB HIS A 144 87.531 71.151 17.866 1.00 24.33 C ATOM 1007 CG HIS A 144 86.432 72.001 18.439 1.00 24.75 C ATOM 1008 ND1 HIS A 144 86.348 72.281 19.784 1.00 23.79 N ATOM 1009 CD2 HIS A 144 85.377 72.628 17.860 1.00 24.43 C ATOM 1010 CE1 HIS A 144 85.290 73.042 20.011 1.00 24.17 C ATOM 1011 NE2 HIS A 144 84.684 73.269 18.861 1.00 23.23 N ATOM 1012 HA HIS A 144 86.090 70.094 16.671 1.00 0.00 H ATOM 1013 HB2 HIS A 144 87.836 70.431 18.626 1.00 0.00 H ATOM 1014 HB3 HIS A 144 88.372 71.800 17.623 1.00 0.00 H ATOM 1015 HD2 HIS A 144 85.125 72.624 16.799 1.00 0.00 H ATOM 1016 HE1 HIS A 144 84.972 73.418 20.984 1.00 0.00 H ATOM 1017 H HIS A 144 88.660 68.934 17.191 1.00 0.00 H ATOM 1018 N ALA A 145 88.609 71.450 14.986 1.00 23.80 N ATOM 1019 CA ALA A 145 88.957 72.298 13.842 1.00 23.34 C ATOM 1020 C ALA A 145 88.605 71.642 12.511 1.00 24.30 C ATOM 1021 O ALA A 145 88.236 72.332 11.559 1.00 25.44 O ATOM 1022 CB ALA A 145 90.432 72.654 13.881 1.00 22.85 C ATOM 1023 HA ALA A 145 88.364 73.209 13.920 1.00 0.00 H ATOM 1024 HB1 ALA A 145 90.650 73.192 14.803 1.00 0.00 H ATOM 1025 HB2 ALA A 145 91.026 71.741 13.842 1.00 0.00 H ATOM 1026 HB3 ALA A 145 90.675 73.284 13.025 1.00 0.00 H ATOM 1027 H ALA A 145 89.372 70.983 15.517 1.00 0.00 H ATOM 1028 N LYS A 146 88.725 70.317 12.444 1.00 24.00 N ATOM 1029 CA LYS A 146 88.361 69.563 11.252 1.00 25.32 C ATOM 1030 C LYS A 146 86.886 69.760 10.900 1.00 23.84 C ATOM 1031 O LYS A 146 86.563 70.100 9.767 1.00 23.10 O ATOM 1032 CB LYS A 146 88.659 68.070 11.450 1.00 27.78 C ATOM 1033 CG LYS A 146 88.267 67.194 10.267 1.00 30.21 C ATOM 1034 CD LYS A 146 88.767 65.758 10.418 1.00 31.22 C ATOM 1035 CE LYS A 146 88.412 64.935 9.179 1.00 32.53 C ATOM 1036 NZ LYS A 146 89.034 63.574 9.173 1.00 34.15 N ATOM 1037 HA LYS A 146 88.962 69.939 10.424 1.00 0.00 H ATOM 1038 HB2 LYS A 146 89.729 67.954 11.622 1.00 0.00 H ATOM 1039 HB3 LYS A 146 88.112 67.725 12.327 1.00 0.00 H ATOM 1040 HG2 LYS A 146 87.180 67.180 10.185 1.00 0.00 H ATOM 1041 HG3 LYS A 146 88.693 67.620 9.359 1.00 0.00 H ATOM 1042 HD2 LYS A 146 89.849 65.766 10.546 1.00 0.00 H ATOM 1043 HD3 LYS A 146 88.302 65.306 11.294 1.00 0.00 H ATOM 1044 HE2 LYS A 146 88.753 65.475 8.296 1.00 0.00 H ATOM 1045 HE3 LYS A 146 87.329 64.821 9.138 1.00 0.00 H ATOM 1046 HZ1 LYS A 146 90.069 63.667 9.201 1.00 0.00 H ATOM 1047 HZ2 LYS A 146 88.710 63.042 10.006 1.00 0.00 H ATOM 1048 HZ3 LYS A 146 88.754 63.070 8.308 1.00 0.00 H ATOM 1049 H LYS A 146 89.091 69.803 13.271 1.00 0.00 H ATOM 1050 N TRP A 147 86.009 69.569 11.880 1.00 23.43 N ATOM 1051 CA TRP A 147 84.563 69.515 11.641 1.00 24.11 C ATOM 1052 C TRP A 147 83.831 70.836 11.873 1.00 25.57 C ATOM 1053 O TRP A 147 82.822 71.101 11.211 1.00 24.15 O ATOM 1054 CB TRP A 147 83.924 68.417 12.496 1.00 24.91 C ATOM 1055 CG TRP A 147 84.443 67.043 12.203 1.00 25.31 C ATOM 1056 CD1 TRP A 147 85.231 66.277 13.016 1.00 25.97 C ATOM 1057 CD2 TRP A 147 84.224 66.264 11.012 1.00 26.88 C ATOM 1058 NE1 TRP A 147 85.509 65.077 12.414 1.00 25.20 N ATOM 1059 CE2 TRP A 147 84.905 65.040 11.185 1.00 26.00 C ATOM 1060 CE3 TRP A 147 83.507 66.477 9.828 1.00 25.54 C ATOM 1061 CZ2 TRP A 147 84.897 64.035 10.217 1.00 25.68 C ATOM 1062 CZ3 TRP A 147 83.502 65.476 8.864 1.00 26.06 C ATOM 1063 CH2 TRP A 147 84.195 64.272 9.065 1.00 25.97 C ATOM 1064 HA TRP A 147 84.454 69.291 10.580 1.00 0.00 H ATOM 1065 HB2 TRP A 147 84.118 68.641 13.545 1.00 0.00 H ATOM 1066 HB3 TRP A 147 82.849 68.424 12.317 1.00 0.00 H ATOM 1067 HE1 TRP A 147 86.087 64.316 12.825 1.00 0.00 H ATOM 1068 HD1 TRP A 147 85.587 66.577 14.001 1.00 0.00 H ATOM 1069 HZ2 TRP A 147 85.429 63.097 10.372 1.00 0.00 H ATOM 1070 HH2 TRP A 147 84.174 63.509 8.287 1.00 0.00 H ATOM 1071 HZ3 TRP A 147 82.951 65.628 7.936 1.00 0.00 H ATOM 1072 HE3 TRP A 147 82.964 67.408 9.666 1.00 0.00 H ATOM 1073 H TRP A 147 86.361 69.454 12.852 1.00 0.00 H ATOM 1074 N PHE A 148 84.321 71.656 12.803 1.00 24.48 N ATOM 1075 CA PHE A 148 83.661 72.923 13.143 1.00 25.01 C ATOM 1076 C PHE A 148 84.630 74.113 13.097 1.00 24.72 C ATOM 1077 O PHE A 148 84.798 74.818 14.092 1.00 25.43 O ATOM 1078 CB PHE A 148 83.004 72.836 14.530 1.00 26.98 C ATOM 1079 CG PHE A 148 82.261 71.551 14.774 1.00 27.21 C ATOM 1080 CD1 PHE A 148 81.144 71.224 14.020 1.00 28.92 C ATOM 1081 CD2 PHE A 148 82.679 70.671 15.763 1.00 28.39 C ATOM 1082 CE1 PHE A 148 80.459 70.033 14.243 1.00 29.11 C ATOM 1083 CE2 PHE A 148 82.000 69.487 15.995 1.00 28.07 C ATOM 1084 CZ PHE A 148 80.887 69.166 15.233 1.00 27.53 C ATOM 1085 HA PHE A 148 82.892 73.093 12.389 1.00 0.00 H ATOM 1086 HB2 PHE A 148 83.784 72.931 15.286 1.00 0.00 H ATOM 1087 HB3 PHE A 148 82.301 73.663 14.629 1.00 0.00 H ATOM 1088 HD2 PHE A 148 83.554 70.916 16.365 1.00 0.00 H ATOM 1089 HE2 PHE A 148 82.340 68.807 16.776 1.00 0.00 H ATOM 1090 HZ PHE A 148 80.351 68.234 15.413 1.00 0.00 H ATOM 1091 HE1 PHE A 148 79.587 69.784 13.639 1.00 0.00 H ATOM 1092 HD1 PHE A 148 80.799 71.907 13.244 1.00 0.00 H ATOM 1093 H PHE A 148 85.195 71.391 13.301 1.00 0.00 H ATOM 1094 N PRO A 149 85.239 74.367 11.925 1.00 23.98 N ATOM 1095 CA PRO A 149 86.277 75.397 11.816 1.00 24.14 C ATOM 1096 C PRO A 149 85.810 76.828 12.094 1.00 24.98 C ATOM 1097 O PRO A 149 86.645 77.696 12.345 1.00 24.74 O ATOM 1098 CB PRO A 149 86.752 75.262 10.368 1.00 25.64 C ATOM 1099 CG PRO A 149 85.614 74.641 9.646 1.00 26.21 C ATOM 1100 CD PRO A 149 84.976 73.718 10.627 1.00 24.50 C ATOM 1101 HA PRO A 149 87.046 75.239 12.572 1.00 0.00 H ATOM 1102 HD3 PRO A 149 83.905 73.632 10.443 1.00 0.00 H ATOM 1103 HD2 PRO A 149 85.431 72.728 10.586 1.00 0.00 H ATOM 1104 HG3 PRO A 149 85.970 74.087 8.777 1.00 0.00 H ATOM 1105 HG2 PRO A 149 84.905 75.404 9.323 1.00 0.00 H ATOM 1106 HB2 PRO A 149 86.984 76.241 9.948 1.00 0.00 H ATOM 1107 HB3 PRO A 149 87.635 74.625 10.312 1.00 0.00 H ATOM 1108 N GLY A 150 84.500 77.074 12.044 1.00 25.64 N ATOM 1109 CA GLY A 150 83.950 78.401 12.335 1.00 25.21 C ATOM 1110 C GLY A 150 83.674 78.683 13.805 1.00 25.27 C ATOM 1111 O GLY A 150 83.248 79.782 14.151 1.00 24.16 O ATOM 1112 HA3 GLY A 150 83.012 78.504 11.790 1.00 0.00 H ATOM 1113 HA2 GLY A 150 84.660 79.146 11.976 1.00 0.00 H ATOM 1114 H GLY A 150 83.850 76.302 11.791 1.00 0.00 H ATOM 1115 N CYS A 151 83.910 77.706 14.677 1.00 24.31 N ATOM 1116 CA CYS A 151 83.670 77.888 16.109 1.00 24.56 C ATOM 1117 C CYS A 151 84.543 78.991 16.710 1.00 25.13 C ATOM 1118 O CYS A 151 85.762 78.963 16.571 1.00 25.97 O ATOM 1119 CB CYS A 151 83.934 76.588 16.853 1.00 25.32 C ATOM 1120 SG CYS A 151 83.670 76.685 18.636 1.00 24.68 S ATOM 1121 HA CYS A 151 82.627 78.184 16.220 1.00 0.00 H ATOM 1122 HB2 CYS A 151 84.970 76.298 16.676 1.00 0.00 H ATOM 1123 HB3 CYS A 151 83.270 75.823 16.450 1.00 0.00 H ATOM 1124 HG CYS A 151 83.937 75.457 19.206 1.00 0.00 H ATOM 1125 H CYS A 151 84.273 76.794 14.334 1.00 0.00 H ATOM 1126 N GLN A 152 83.922 79.938 17.408 1.00 25.33 N ATOM 1127 CA GLN A 152 84.655 81.083 17.945 1.00 25.52 C ATOM 1128 C GLN A 152 85.472 80.757 19.202 1.00 24.46 C ATOM 1129 O GLN A 152 86.501 81.390 19.449 1.00 23.73 O ATOM 1130 CB GLN A 152 83.711 82.267 18.188 1.00 28.03 C ATOM 1131 CG GLN A 152 83.097 82.817 16.901 1.00 32.15 C ATOM 1132 CD GLN A 152 84.144 83.281 15.894 1.00 36.55 C ATOM 1133 OE1 GLN A 152 84.788 84.313 16.084 1.00 39.66 O ATOM 1134 NE2 GLN A 152 84.316 82.515 14.814 1.00 37.96 N ATOM 1135 HA GLN A 152 85.384 81.362 17.184 1.00 0.00 H ATOM 1136 HB2 GLN A 152 82.905 81.940 18.845 1.00 0.00 H ATOM 1137 HB3 GLN A 152 84.273 83.065 18.674 1.00 0.00 H ATOM 1138 HG2 GLN A 152 82.494 82.034 16.441 1.00 0.00 H ATOM 1139 HG3 GLN A 152 82.459 83.663 17.154 1.00 0.00 H ATOM 1140 HE22 GLN A 152 83.750 81.651 14.694 1.00 0.00 H ATOM 1141 HE21 GLN A 152 85.016 82.782 14.093 1.00 0.00 H ATOM 1142 H GLN A 152 82.898 79.862 17.574 1.00 0.00 H ATOM 1143 N PHE A 153 85.019 79.782 19.994 1.00 24.02 N ATOM 1144 CA PHE A 153 85.824 79.255 21.100 1.00 24.36 C ATOM 1145 C PHE A 153 87.118 78.623 20.586 1.00 25.66 C ATOM 1146 O PHE A 153 88.195 78.856 21.137 1.00 25.34 O ATOM 1147 CB PHE A 153 85.039 78.226 21.919 1.00 25.01 C ATOM 1148 CG PHE A 153 85.852 77.577 23.008 1.00 25.55 C ATOM 1149 CD1 PHE A 153 86.165 78.278 24.161 1.00 24.89 C ATOM 1150 CD2 PHE A 153 86.313 76.277 22.872 1.00 24.82 C ATOM 1151 CE1 PHE A 153 86.917 77.689 25.176 1.00 25.88 C ATOM 1152 CE2 PHE A 153 87.067 75.684 23.875 1.00 24.40 C ATOM 1153 CZ PHE A 153 87.372 76.393 25.027 1.00 25.49 C ATOM 1154 HA PHE A 153 86.074 80.097 21.745 1.00 0.00 H ATOM 1155 HB2 PHE A 153 84.186 78.727 22.377 1.00 0.00 H ATOM 1156 HB3 PHE A 153 84.682 77.448 21.244 1.00 0.00 H ATOM 1157 HD2 PHE A 153 86.081 75.714 21.968 1.00 0.00 H ATOM 1158 HE2 PHE A 153 87.420 74.659 23.757 1.00 0.00 H ATOM 1159 HZ PHE A 153 87.969 75.929 25.812 1.00 0.00 H ATOM 1160 HE1 PHE A 153 87.145 78.248 26.083 1.00 0.00 H ATOM 1161 HD1 PHE A 153 85.818 79.305 24.276 1.00 0.00 H ATOM 1162 H PHE A 153 84.072 79.387 19.822 1.00 0.00 H ATOM 1163 N LEU A 154 86.994 77.803 19.547 1.00 23.89 N ATOM 1164 CA LEU A 154 88.153 77.225 18.861 1.00 24.69 C ATOM 1165 C LEU A 154 89.112 78.311 18.385 1.00 23.10 C ATOM 1166 O LEU A 154 90.328 78.228 18.611 1.00 21.81 O ATOM 1167 CB LEU A 154 87.686 76.378 17.671 1.00 24.27 C ATOM 1168 CG LEU A 154 88.742 75.865 16.688 1.00 27.08 C ATOM 1169 CD1 LEU A 154 89.617 74.801 17.343 1.00 26.65 C ATOM 1170 CD2 LEU A 154 88.062 75.310 15.450 1.00 26.70 C ATOM 1171 HA LEU A 154 88.686 76.592 19.570 1.00 0.00 H ATOM 1172 HB2 LEU A 154 87.171 75.507 18.076 1.00 0.00 H ATOM 1173 HB3 LEU A 154 86.980 76.982 17.101 1.00 0.00 H ATOM 1174 HG LEU A 154 89.385 76.695 16.397 1.00 0.00 H ATOM 1175 HD21 LEU A 154 87.404 74.489 15.735 1.00 0.00 H ATOM 1176 HD22 LEU A 154 87.477 76.097 14.974 1.00 0.00 H ATOM 1177 HD23 LEU A 154 88.818 74.946 14.754 1.00 0.00 H ATOM 1178 HD11 LEU A 154 90.120 75.229 18.210 1.00 0.00 H ATOM 1179 HD12 LEU A 154 88.994 73.965 17.660 1.00 0.00 H ATOM 1180 HD13 LEU A 154 90.360 74.451 16.626 1.00 0.00 H ATOM 1181 H LEU A 154 86.040 77.563 19.209 1.00 0.00 H ATOM 1182 N LEU A 155 88.567 79.328 17.721 1.00 22.74 N ATOM 1183 CA LEU A 155 89.386 80.418 17.194 1.00 22.87 C ATOM 1184 C LEU A 155 90.101 81.162 18.319 1.00 22.65 C ATOM 1185 O LEU A 155 91.304 81.399 18.251 1.00 20.12 O ATOM 1186 CB LEU A 155 88.529 81.394 16.384 1.00 22.77 C ATOM 1187 CG LEU A 155 89.239 82.631 15.820 1.00 22.83 C ATOM 1188 CD1 LEU A 155 90.385 82.247 14.892 1.00 22.69 C ATOM 1189 CD2 LEU A 155 88.238 83.530 15.103 1.00 24.07 C ATOM 1190 HA LEU A 155 90.138 79.980 16.538 1.00 0.00 H ATOM 1191 HB2 LEU A 155 88.106 80.844 15.543 1.00 0.00 H ATOM 1192 HB3 LEU A 155 87.723 81.742 17.031 1.00 0.00 H ATOM 1193 HG LEU A 155 89.671 83.182 16.656 1.00 0.00 H ATOM 1194 HD21 LEU A 155 87.777 82.978 14.284 1.00 0.00 H ATOM 1195 HD22 LEU A 155 87.469 83.849 15.807 1.00 0.00 H ATOM 1196 HD23 LEU A 155 88.755 84.404 14.707 1.00 0.00 H ATOM 1197 HD11 LEU A 155 91.114 81.653 15.443 1.00 0.00 H ATOM 1198 HD12 LEU A 155 89.995 81.663 14.058 1.00 0.00 H ATOM 1199 HD13 LEU A 155 90.862 83.151 14.513 1.00 0.00 H ATOM 1200 H LEU A 155 87.538 79.347 17.574 1.00 0.00 H ATOM 1201 N ARG A 156 89.351 81.529 19.351 1.00 23.69 N ATOM 1202 CA ARG A 156 89.910 82.256 20.489 1.00 24.72 C ATOM 1203 C ARG A 156 91.024 81.460 21.164 1.00 22.92 C ATOM 1204 O ARG A 156 92.046 82.022 21.555 1.00 21.90 O ATOM 1205 CB ARG A 156 88.815 82.541 21.516 1.00 30.98 C ATOM 1206 CG ARG A 156 89.216 83.514 22.614 1.00 33.59 C ATOM 1207 CD ARG A 156 89.109 84.937 22.128 1.00 42.14 C ATOM 1208 NE ARG A 156 89.108 85.904 23.224 1.00 43.12 N ATOM 1209 CZ ARG A 156 88.827 87.195 23.078 1.00 45.93 C ATOM 1210 NH1 ARG A 156 88.503 87.690 21.884 1.00 47.37 N ATOM 1211 NH2 ARG A 156 88.860 87.997 24.137 1.00 47.71 N ATOM 1212 HA ARG A 156 90.325 83.191 20.112 1.00 0.00 H ATOM 1213 HB2 ARG A 156 87.955 82.956 20.990 1.00 0.00 H ATOM 1214 HB3 ARG A 156 88.533 81.598 21.983 1.00 0.00 H ATOM 1215 HG2 ARG A 156 88.557 83.378 23.472 1.00 0.00 H ATOM 1216 HG3 ARG A 156 90.245 83.314 22.912 1.00 0.00 H ATOM 1217 HD2 ARG A 156 88.182 85.046 21.565 1.00 0.00 H ATOM 1218 HD3 ARG A 156 89.956 85.149 21.476 1.00 0.00 H ATOM 1219 HE ARG A 156 89.342 85.561 24.177 1.00 0.00 H ATOM 1220 HH12 ARG A 156 88.285 88.702 21.782 1.00 0.00 H ATOM 1221 HH11 ARG A 156 88.468 87.065 21.054 1.00 0.00 H ATOM 1222 HH22 ARG A 156 88.641 89.008 24.031 1.00 0.00 H ATOM 1223 HH21 ARG A 156 89.104 87.614 25.072 1.00 0.00 H ATOM 1224 H ARG A 156 88.338 81.293 19.350 1.00 0.00 H ATOM 1225 N SER A 157 90.810 80.153 21.290 1.00 23.31 N ATOM 1226 CA SER A 157 91.734 79.279 22.011 1.00 23.35 C ATOM 1227 C SER A 157 92.980 78.922 21.205 1.00 21.65 C ATOM 1228 O SER A 157 94.090 78.971 21.734 1.00 21.81 O ATOM 1229 CB SER A 157 91.019 77.993 22.425 1.00 25.15 C ATOM 1230 OG SER A 157 89.890 78.280 23.232 1.00 27.21 O ATOM 1231 HA SER A 157 92.065 79.836 22.887 1.00 0.00 H ATOM 1232 HB2 SER A 157 91.710 77.365 22.988 1.00 0.00 H ATOM 1233 HB3 SER A 157 90.693 77.462 21.531 1.00 0.00 H ATOM 1234 HG SER A 157 89.258 78.847 22.723 1.00 0.00 H ATOM 1235 H SER A 157 89.957 79.739 20.862 1.00 0.00 H ATOM 1236 N LYS A 158 92.790 78.568 19.933 1.00 22.20 N ATOM 1237 CA LYS A 158 93.861 77.991 19.108 1.00 22.52 C ATOM 1238 C LYS A 158 94.406 78.889 17.992 1.00 21.32 C ATOM 1239 O LYS A 158 95.504 78.639 17.485 1.00 19.89 O ATOM 1240 CB LYS A 158 93.380 76.665 18.501 1.00 24.02 C ATOM 1241 CG LYS A 158 93.023 75.590 19.517 1.00 26.92 C ATOM 1242 CD LYS A 158 94.214 75.147 20.374 1.00 28.09 C ATOM 1243 CE LYS A 158 95.200 74.305 19.600 1.00 30.64 C ATOM 1244 NZ LYS A 158 96.393 73.976 20.439 1.00 31.32 N ATOM 1245 HA LYS A 158 94.697 77.851 19.793 1.00 0.00 H ATOM 1246 HB2 LYS A 158 92.495 76.869 17.898 1.00 0.00 H ATOM 1247 HB3 LYS A 158 94.173 76.277 17.861 1.00 0.00 H ATOM 1248 HG2 LYS A 158 92.248 75.980 20.176 1.00 0.00 H ATOM 1249 HG3 LYS A 158 92.639 74.721 18.982 1.00 0.00 H ATOM 1250 HD2 LYS A 158 94.727 76.034 20.746 1.00 0.00 H ATOM 1251 HD3 LYS A 158 93.842 74.564 21.217 1.00 0.00 H ATOM 1252 HE2 LYS A 158 95.525 74.856 18.717 1.00 0.00 H ATOM 1253 HE3 LYS A 158 94.714 73.379 19.291 1.00 0.00 H ATOM 1254 HZ1 LYS A 158 96.862 74.856 20.733 1.00 0.00 H ATOM 1255 HZ2 LYS A 158 96.088 73.447 21.281 1.00 0.00 H ATOM 1256 HZ3 LYS A 158 97.056 73.397 19.885 1.00 0.00 H ATOM 1257 H LYS A 158 91.850 78.705 19.510 1.00 0.00 H ATOM 1258 N GLY A 159 93.653 79.917 17.600 1.00 20.95 N ATOM 1259 CA GLY A 159 94.104 80.854 16.576 1.00 21.41 C ATOM 1260 C GLY A 159 93.809 80.377 15.168 1.00 20.22 C ATOM 1261 O GLY A 159 93.590 79.184 14.939 1.00 20.16 O ATOM 1262 HA3 GLY A 159 95.181 80.990 16.679 1.00 0.00 H ATOM 1263 HA2 GLY A 159 93.602 81.809 16.732 1.00 0.00 H ATOM 1264 H GLY A 159 92.719 80.055 18.036 1.00 0.00 H ATOM 1265 N GLN A 160 93.821 81.316 14.223 1.00 20.31 N ATOM 1266 CA GLN A 160 93.437 81.033 12.839 1.00 22.05 C ATOM 1267 C GLN A 160 94.450 80.159 12.092 1.00 21.77 C ATOM 1268 O GLN A 160 94.063 79.325 11.274 1.00 23.20 O ATOM 1269 CB GLN A 160 93.215 82.338 12.068 1.00 23.70 C ATOM 1270 CG GLN A 160 92.533 82.159 10.712 1.00 25.75 C ATOM 1271 CD GLN A 160 91.139 81.564 10.838 1.00 29.29 C ATOM 1272 OE1 GLN A 160 90.263 82.144 11.475 1.00 32.73 O ATOM 1273 NE2 GLN A 160 90.932 80.398 10.237 1.00 30.20 N ATOM 1274 HA GLN A 160 92.508 80.466 12.893 1.00 0.00 H ATOM 1275 HB2 GLN A 160 92.595 82.994 12.678 1.00 0.00 H ATOM 1276 HB3 GLN A 160 94.185 82.807 11.903 1.00 0.00 H ATOM 1277 HG2 GLN A 160 92.456 83.132 10.227 1.00 0.00 H ATOM 1278 HG3 GLN A 160 93.143 81.496 10.098 1.00 0.00 H ATOM 1279 HE22 GLN A 160 91.702 79.942 9.708 1.00 0.00 H ATOM 1280 HE21 GLN A 160 90.000 79.941 10.295 1.00 0.00 H ATOM 1281 H GLN A 160 94.113 82.281 14.477 1.00 0.00 H ATOM 1282 N GLU A 161 95.737 80.361 12.365 1.00 22.32 N ATOM 1283 CA GLU A 161 96.794 79.587 11.708 1.00 24.49 C ATOM 1284 C GLU A 161 96.620 78.091 11.960 1.00 22.52 C ATOM 1285 O GLU A 161 96.757 77.282 11.040 1.00 22.40 O ATOM 1286 CB GLU A 161 98.176 80.036 12.191 1.00 28.40 C ATOM 1287 CG GLU A 161 98.568 81.427 11.726 1.00 33.80 C ATOM 1288 CD GLU A 161 98.832 81.488 10.235 1.00 38.38 C ATOM 1289 OE1 GLU A 161 99.713 80.742 9.756 1.00 42.40 O ATOM 1290 OE2 GLU A 161 98.162 82.281 9.542 1.00 40.62 O ATOM 1291 HA GLU A 161 96.716 79.770 10.636 1.00 0.00 H ATOM 1292 HB2 GLU A 161 98.179 80.024 13.281 1.00 0.00 H ATOM 1293 HB3 GLU A 161 98.917 79.328 11.819 1.00 0.00 H ATOM 1294 HG2 GLU A 161 97.759 82.117 11.967 1.00 0.00 H ATOM 1295 HG3 GLU A 161 99.472 81.730 12.254 1.00 0.00 H ATOM 1296 H GLU A 161 95.999 81.087 13.062 1.00 0.00 H ATOM 1297 N TYR A 162 96.320 77.741 13.208 1.00 23.51 N ATOM 1298 CA TYR A 162 96.048 76.356 13.592 1.00 24.09 C ATOM 1299 C TYR A 162 94.888 75.766 12.790 1.00 23.76 C ATOM 1300 O TYR A 162 94.984 74.653 12.278 1.00 23.70 O ATOM 1301 CB TYR A 162 95.734 76.269 15.090 1.00 24.04 C ATOM 1302 CG TYR A 162 95.390 74.872 15.563 1.00 23.44 C ATOM 1303 CD1 TYR A 162 96.384 73.984 15.956 1.00 24.98 C ATOM 1304 CD2 TYR A 162 94.070 74.436 15.604 1.00 23.51 C ATOM 1305 CE1 TYR A 162 96.064 72.690 16.389 1.00 25.79 C ATOM 1306 CE2 TYR A 162 93.745 73.158 16.031 1.00 23.73 C ATOM 1307 CZ TYR A 162 94.743 72.287 16.417 1.00 25.31 C ATOM 1308 OH TYR A 162 94.409 71.016 16.833 1.00 25.33 O ATOM 1309 HA TYR A 162 96.944 75.775 13.373 1.00 0.00 H ATOM 1310 HB3 TYR A 162 94.888 76.922 15.302 1.00 0.00 H ATOM 1311 HB2 TYR A 162 96.606 76.615 15.645 1.00 0.00 H ATOM 1312 HD2 TYR A 162 93.274 75.113 15.294 1.00 0.00 H ATOM 1313 HE2 TYR A 162 92.702 72.842 16.062 1.00 0.00 H ATOM 1314 HE1 TYR A 162 96.853 72.006 16.702 1.00 0.00 H ATOM 1315 HD1 TYR A 162 97.427 74.298 15.927 1.00 0.00 H ATOM 1316 HH TYR A 162 95.232 70.522 17.073 1.00 0.00 H ATOM 1317 H TYR A 162 96.277 78.480 13.938 1.00 0.00 H ATOM 1318 N ILE A 163 93.794 76.515 12.692 1.00 24.32 N ATOM 1319 CA ILE A 163 92.603 76.048 11.976 1.00 25.97 C ATOM 1320 C ILE A 163 92.916 75.884 10.480 1.00 26.48 C ATOM 1321 O ILE A 163 92.562 74.871 9.870 1.00 28.65 O ATOM 1322 CB ILE A 163 91.389 77.009 12.178 1.00 26.59 C ATOM 1323 CG1 ILE A 163 91.030 77.139 13.666 1.00 27.83 C ATOM 1324 CG2 ILE A 163 90.177 76.513 11.403 1.00 24.66 C ATOM 1325 CD1 ILE A 163 89.976 78.205 13.976 1.00 25.51 C ATOM 1326 HA ILE A 163 92.324 75.080 12.392 1.00 0.00 H ATOM 1327 HB ILE A 163 91.678 77.990 11.800 1.00 0.00 H ATOM 1328 HG12 ILE A 163 90.652 76.176 14.010 1.00 0.00 H ATOM 1329 HG13 ILE A 163 91.938 77.389 14.215 1.00 0.00 H ATOM 1330 HD11 ILE A 163 90.341 79.180 13.652 1.00 0.00 H ATOM 1331 HD12 ILE A 163 89.053 77.966 13.447 1.00 0.00 H ATOM 1332 HD13 ILE A 163 89.786 78.225 15.049 1.00 0.00 H ATOM 1333 HG21 ILE A 163 90.420 76.469 10.341 1.00 0.00 H ATOM 1334 HG22 ILE A 163 89.903 75.519 11.756 1.00 0.00 H ATOM 1335 HG23 ILE A 163 89.343 77.198 11.558 1.00 0.00 H ATOM 1336 H ILE A 163 93.783 77.456 13.134 1.00 0.00 H ATOM 1337 N ASN A 164 93.602 76.871 9.906 1.00 25.14 N ATOM 1338 CA ASN A 164 93.999 76.831 8.497 1.00 26.54 C ATOM 1339 C ASN A 164 94.880 75.629 8.158 1.00 26.44 C ATOM 1340 O ASN A 164 94.714 75.010 7.106 1.00 28.76 O ATOM 1341 CB ASN A 164 94.734 78.121 8.107 1.00 25.29 C ATOM 1342 CG ASN A 164 93.817 79.337 8.058 1.00 25.53 C ATOM 1343 OD1 ASN A 164 92.598 79.224 8.185 1.00 27.91 O ATOM 1344 ND2 ASN A 164 94.409 80.510 7.873 1.00 24.39 N ATOM 1345 HA ASN A 164 93.076 76.735 7.925 1.00 0.00 H ATOM 1346 HB2 ASN A 164 95.520 78.308 8.838 1.00 0.00 H ATOM 1347 HB3 ASN A 164 95.181 77.983 7.122 1.00 0.00 H ATOM 1348 HD22 ASN A 164 95.443 80.560 7.770 1.00 0.00 H ATOM 1349 HD21 ASN A 164 93.839 81.379 7.831 1.00 0.00 H ATOM 1350 H ASN A 164 93.865 77.699 10.478 1.00 0.00 H ATOM 1351 N ASN A 165 95.818 75.309 9.045 1.00 26.71 N ATOM 1352 CA ASN A 165 96.753 74.208 8.812 1.00 31.07 C ATOM 1353 C ASN A 165 96.077 72.834 8.832 1.00 33.16 C ATOM 1354 O ASN A 165 96.470 71.941 8.082 1.00 33.43 O ATOM 1355 CB ASN A 165 97.912 74.253 9.818 1.00 32.73 C ATOM 1356 CG ASN A 165 98.892 75.392 9.543 1.00 36.95 C ATOM 1357 OD1 ASN A 165 98.992 75.897 8.420 1.00 38.32 O ATOM 1358 ND2 ASN A 165 99.628 75.794 10.575 1.00 39.02 N ATOM 1359 HA ASN A 165 97.149 74.348 7.806 1.00 0.00 H ATOM 1360 HB2 ASN A 165 97.500 74.382 10.819 1.00 0.00 H ATOM 1361 HB3 ASN A 165 98.453 73.308 9.768 1.00 0.00 H ATOM 1362 HD22 ASN A 165 99.512 75.341 11.504 1.00 0.00 H ATOM 1363 HD21 ASN A 165 100.320 76.561 10.453 1.00 0.00 H ATOM 1364 H ASN A 165 95.889 75.856 9.927 1.00 0.00 H ATOM 1365 N ILE A 166 95.059 72.671 9.675 1.00 35.90 N ATOM 1366 CA ILE A 166 94.282 71.425 9.715 1.00 38.08 C ATOM 1367 C ILE A 166 93.502 71.213 8.413 1.00 40.81 C ATOM 1368 O ILE A 166 93.268 70.075 8.007 1.00 43.08 O ATOM 1369 CB ILE A 166 93.349 71.380 10.941 1.00 38.56 C ATOM 1370 CG1 ILE A 166 94.187 71.197 12.206 1.00 38.75 C ATOM 1371 CG2 ILE A 166 92.339 70.239 10.830 1.00 38.17 C ATOM 1372 CD1 ILE A 166 93.420 71.337 13.461 1.00 39.73 C ATOM 1373 HA ILE A 166 94.990 70.602 9.813 1.00 0.00 H ATOM 1374 HB ILE A 166 92.797 72.319 10.986 1.00 0.00 H ATOM 1375 HG12 ILE A 166 94.629 70.201 12.183 1.00 0.00 H ATOM 1376 HG13 ILE A 166 94.980 71.945 12.203 1.00 0.00 H ATOM 1377 HD11 ILE A 166 92.980 72.333 13.507 1.00 0.00 H ATOM 1378 HD12 ILE A 166 92.629 70.588 13.487 1.00 0.00 H ATOM 1379 HD13 ILE A 166 94.087 71.193 14.311 1.00 0.00 H ATOM 1380 HG21 ILE A 166 91.731 70.379 9.936 1.00 0.00 H ATOM 1381 HG22 ILE A 166 92.871 69.290 10.764 1.00 0.00 H ATOM 1382 HG23 ILE A 166 91.697 70.237 11.711 1.00 0.00 H ATOM 1383 H ILE A 166 94.808 73.446 10.322 1.00 0.00 H ATOM 1384 N HIS A 167 93.119 72.308 7.760 1.00 42.24 N ATOM 1385 CA HIS A 167 92.577 72.253 6.402 1.00 43.15 C ATOM 1386 C HIS A 167 93.687 72.512 5.390 1.00 43.97 C ATOM 1387 O HIS A 167 93.434 72.632 4.193 1.00 46.41 O ATOM 1388 CB HIS A 167 91.452 73.276 6.229 1.00 44.46 C ATOM 1389 CG HIS A 167 90.243 72.977 7.056 1.00 45.45 C ATOM 1390 ND1 HIS A 167 90.201 73.199 8.415 1.00 46.41 N ATOM 1391 CD2 HIS A 167 89.037 72.461 6.720 1.00 45.97 C ATOM 1392 CE1 HIS A 167 89.020 72.836 8.879 1.00 45.03 C ATOM 1393 NE2 HIS A 167 88.294 72.383 7.873 1.00 46.39 N ATOM 1394 HA HIS A 167 92.164 71.259 6.230 1.00 0.00 H ATOM 1395 HB2 HIS A 167 91.831 74.258 6.513 1.00 0.00 H ATOM 1396 HB3 HIS A 167 91.158 73.292 5.180 1.00 0.00 H ATOM 1397 HD2 HIS A 167 88.716 72.163 5.722 1.00 0.00 H ATOM 1398 HE1 HIS A 167 88.698 72.899 9.918 1.00 0.00 H ATOM 1399 H HIS A 167 93.208 73.232 8.230 1.00 0.00 H TER 1400 HIS A 167 HETATM 1401 ZN ZN A 1 82.994 74.511 19.082 1.00 25.43 ZN HETATM 1402 O HOH 2 73.366 77.428 29.603 1.00 14.52 O HETATM 1403 O HOH 3 90.746 69.388 31.284 1.00 16.87 O HETATM 1404 O HOH 4 92.642 69.427 24.241 1.00 18.47 O HETATM 1405 O HOH 5 86.878 77.020 28.892 1.00 19.14 O HETATM 1406 O HOH 6 77.574 63.491 31.210 1.00 22.95 O HETATM 1407 O HOH 7 76.253 75.673 34.463 1.00 16.18 O HETATM 1408 O HOH 8 79.924 60.575 31.949 1.00 17.93 O HETATM 1409 O HOH 9 94.098 59.072 29.346 1.00 14.54 O HETATM 1410 O HOH 10 92.717 60.487 31.471 1.00 24.59 O HETATM 1411 O HOH 11 82.081 75.535 11.378 1.00 27.07 O HETATM 1412 O HOH 12 75.161 83.031 24.644 1.00 20.95 O HETATM 1413 O HOH 13 93.419 68.204 21.949 1.00 27.49 O HETATM 1414 O HOH 14 80.116 77.034 33.308 1.00 26.61 O HETATM 1415 O HOH 15 79.823 80.738 29.309 1.00 26.92 O HETATM 1416 O HOH 16 85.435 58.941 36.788 1.00 23.65 O HETATM 1417 O HOH 17 86.557 63.027 34.499 1.00 32.35 O HETATM 1418 O HOH 18 86.963 54.731 30.417 1.00 19.55 O HETATM 1419 O HOH 19 87.177 77.344 31.751 1.00 20.23 O HETATM 1420 O HOH 20 95.931 58.267 25.556 1.00 17.34 O HETATM 1421 O HOH 21 97.260 61.151 19.511 1.00 35.18 O HETATM 1422 O HOH 22 90.443 84.775 11.676 1.00 38.67 O HETATM 1423 O HOH 23 87.348 75.662 34.984 1.00 18.99 O HETATM 1424 O HOH 24 86.663 79.765 13.902 1.00 30.79 O HETATM 1425 O HOH 25 96.706 78.978 21.156 1.00 16.54 O HETATM 1426 O HOH 26 85.895 61.866 36.377 1.00 41.13 O HETATM 1427 O HOH 27 98.349 65.631 19.060 1.00 36.40 O HETATM 1428 O HOH 28 80.925 80.011 16.857 1.00 24.56 O HETATM 1429 O HOH 29 93.285 54.909 15.892 1.00 33.19 O HETATM 1430 O HOH 30 90.432 60.489 13.361 1.00 39.33 O HETATM 1431 O HOH 31 84.802 79.654 28.667 1.00 29.34 O HETATM 1432 O HOH 32 90.131 53.062 28.560 1.00 27.77 O HETATM 1433 O HOH 33 91.831 84.059 18.134 1.00 21.44 O HETATM 1434 O HOH 34 75.659 68.822 16.108 1.00 45.49 O HETATM 1435 O HOH 35 89.023 63.474 35.330 1.00 40.62 O HETATM 1436 O HOH 36 90.615 66.972 38.009 1.00 39.61 O HETATM 1437 O HOH 37 94.849 52.706 15.446 1.00 46.74 O HETATM 1438 O HOH 38 97.431 76.634 18.434 1.00 31.88 O HETATM 1439 O HOH 39 94.616 70.948 25.703 1.00 25.39 O HETATM 1440 O HOH 40 73.815 57.874 16.815 1.00 43.77 O HETATM 1441 O HOH 41 77.044 76.990 36.686 1.00 19.65 O HETATM 1442 O HOH 42 78.855 56.165 28.038 1.00 33.36 O HETATM 1443 O HOH 43 89.375 77.864 28.091 1.00 27.76 O HETATM 1444 O HOH 44 86.689 60.264 33.771 1.00 39.26 O HETATM 1445 O HOH 45 96.275 69.649 18.051 1.00 23.15 O HETATM 1446 O HOH 46 80.751 76.370 13.674 1.00 49.07 O HETATM 1447 O HOH 47 84.735 83.953 22.429 1.00 45.05 O HETATM 1448 O HOH 48 80.172 78.022 35.753 1.00 40.21 O HETATM 1449 O HOH 49 85.332 56.874 33.196 1.00 40.41 O HETATM 1450 O HOH 50 90.186 90.099 22.312 1.00 46.00 O HETATM 1451 O HOH 51 80.625 79.563 32.583 1.00 47.24 O HETATM 1452 O HOH 52 97.235 72.960 12.847 1.00 30.31 O HETATM 1453 O HOH 53 80.498 69.221 9.863 1.00 48.84 O HETATM 1454 O HOH 54 96.290 68.435 21.404 1.00 35.60 O HETATM 1455 O HOH 55 97.776 76.490 21.349 1.00 31.97 O HETATM 1456 O HOH 56 83.609 75.947 37.576 1.00 34.20 O HETATM 1457 O HOH 57 95.876 74.820 23.634 1.00 54.04 O HETATM 1458 O HOH 58 93.388 65.193 35.583 1.00 27.30 O HETATM 1459 O HOH 59 75.561 54.943 26.663 1.00 41.00 O HETATM 1460 O HOH 60 73.196 62.417 23.504 1.00 37.86 O HETATM 1461 O HOH 61 89.836 68.916 39.584 1.00 33.80 O HETATM 1462 O HOH 62 81.896 81.707 12.768 1.00 45.97 O HETATM 1463 O HOH 63 86.293 77.997 34.767 1.00 49.82 O HETATM 1464 O HOH 64 75.970 84.175 26.900 1.00 30.58 O HETATM 1465 O HOH 65 97.219 69.647 32.992 1.00 37.89 O HETATM 1466 O HOH 66 96.306 83.648 10.684 1.00 36.84 O HETATM 1467 O HOH 67 73.446 67.892 15.933 1.00 44.59 O HETATM 1468 O HOH 68 90.729 77.823 25.918 1.00 34.89 O HETATM 1469 O HOH 69 92.591 68.915 33.091 1.00 29.06 O HETATM 1470 O HOH 70 92.509 67.785 35.632 1.00 30.59 O HETATM 1471 O HOH 71 94.133 73.441 25.552 1.00 34.37 O HETATM 1472 O HOH 72 94.852 70.184 28.685 1.00 51.14 O HETATM 1473 O HOH 73 78.694 83.086 28.703 1.00 35.13 O HETATM 1474 O HOH 74 92.749 74.840 29.206 1.00 36.54 O HETATM 1475 O HOH 75 77.606 79.556 18.680 1.00 43.09 O HETATM 1476 O HOH 76 77.407 59.561 32.083 1.00 31.16 O HETATM 1477 O HOH 77 76.476 79.163 34.476 1.00 38.47 O HETATM 1478 O HOH 78 91.185 75.285 26.715 1.00 40.47 O HETATM 1479 O HOH 79 93.636 72.210 30.162 1.00 31.46 O HETATM 1480 O HOH 80 89.911 76.693 31.894 1.00 36.46 O HETATM 1481 O HOH 81 88.016 79.283 10.175 1.00 32.63 O HETATM 1482 O HOH 82 83.631 74.179 39.400 1.00 34.47 O HETATM 1483 O HOH 83 97.301 52.503 17.051 1.00 35.64 O HETATM 1484 O HOH 84 75.033 80.465 32.735 1.00 36.61 O HETATM 1485 O HOH 85 93.403 49.715 21.685 1.00 39.13 O HETATM 1486 O HOH 86 88.239 51.396 26.994 1.00 44.78 O HETATM 1487 O HOH 87 93.731 83.196 7.539 1.00 46.07 O HETATM 1488 O HOH 88 81.273 54.079 30.552 1.00 39.28 O HETATM 1489 O HOH 89 92.655 50.124 24.033 1.00 43.70 O HETATM 1490 O HOH 90 84.892 51.264 28.592 1.00 35.90 O HETATM 1491 O HOH 91 82.290 81.035 28.460 1.00 40.96 O HETATM 1492 O HOH 92 97.289 80.449 7.609 1.00 41.70 O HETATM 1493 O HOH 93 87.837 81.692 25.569 1.00 43.35 O HETATM 1494 O HOH 94 82.569 81.791 25.917 1.00 40.30 O HETATM 1495 O HOH 95 81.612 84.565 24.830 1.00 36.82 O HETATM 1496 O HOH 96 96.924 71.150 20.179 1.00 44.79 O HETATM 1497 O HOH 97 93.409 60.400 22.117 1.00 13.89 O HETATM 1498 O HOH 98 92.524 63.583 15.553 1.00 19.02 O HETATM 1499 O HOH 99 72.912 70.049 26.063 1.00 16.32 O HETATM 1500 O HOH 100 84.857 56.984 13.477 1.00 31.16 O HETATM 1501 O HOH 101 84.276 55.029 19.652 1.00 24.95 O HETATM 1502 O HOH 102 93.055 58.527 15.756 1.00 28.33 O HETATM 1503 O HOH 103 88.191 62.484 11.684 1.00 30.91 O HETATM 1504 O HOH 104 89.729 52.990 18.117 1.00 30.32 O HETATM 1505 O HOH 105 72.521 65.081 22.727 1.00 29.04 O HETATM 1506 O HOH 106 77.132 66.915 14.896 1.00 28.70 O HETATM 1507 O HOH 107 85.200 81.877 23.901 1.00 35.67 O HETATM 1508 O HOH 108 89.995 85.986 18.410 1.00 35.56 O HETATM 1509 O HOH 109 79.249 56.190 18.873 1.00 35.02 O HETATM 1510 O HOH 110 95.303 67.646 32.376 1.00 31.27 O HETATM 1511 O HOH 111 90.101 71.891 34.688 1.00 43.14 O HETATM 1512 O HOH 112 86.868 60.489 10.365 1.00 37.81 O HETATM 1513 O6 UNN A 113 85.372 62.202 13.157 1.00 -0.39 O HETATM 1514 C5 UNN A 113 84.782 61.757 14.144 1.00 0.23 C HETATM 1515 C3 UNN A 113 85.594 61.304 15.384 1.00 0.06 C HETATM 1516 N2 UNN A 113 86.971 60.942 14.946 1.00 0.24 N HETATM 1517 C1 UNN A 113 87.123 59.781 14.034 1.00 -0.04 C HETATM 1518 H4 UNN A 113 88.188 59.636 13.799 1.00 0.08 H HETATM 1519 H5 UNN A 113 86.565 59.969 13.105 1.00 0.08 H HETATM 1520 H6 UNN A 113 86.729 58.877 14.522 1.00 0.08 H HETATM 1521 H2 UNN A 113 87.509 60.745 15.776 1.00 0.20 H HETATM 1522 H3 UNN A 113 87.359 61.746 14.477 1.00 0.20 H HETATM 1523 C4 UNN A 113 85.583 62.364 16.513 1.00 -0.00 C HETATM 1524 H7 UNN A 113 84.544 62.590 16.794 1.00 0.03 H HETATM 1525 H8 UNN A 113 86.075 63.282 16.159 1.00 0.03 H HETATM 1526 H9 UNN A 113 86.122 61.973 17.388 1.00 0.03 H HETATM 1527 H1 UNN A 113 85.119 60.397 15.787 1.00 0.11 H HETATM 1528 N7 UNN A 113 83.448 61.648 14.214 1.00 -0.26 N HETATM 1529 C8 UNN A 113 82.530 61.965 13.086 1.00 0.14 C HETATM 1530 C9 UNN A 113 82.050 60.683 12.298 1.00 0.00 C HETATM 1531 C10 UNN A 113 83.286 59.837 11.873 1.00 -0.06 C HETATM 1532 H12 UNN A 113 82.949 58.945 11.325 1.00 0.02 H HETATM 1533 H13 UNN A 113 83.844 59.527 12.769 1.00 0.02 H HETATM 1534 H14 UNN A 113 83.938 60.441 11.225 1.00 0.02 H HETATM 1535 C11 UNN A 113 81.080 59.764 13.097 1.00 -0.06 C HETATM 1536 H15 UNN A 113 80.198 60.344 13.407 1.00 0.02 H HETATM 1537 H16 UNN A 113 81.594 59.374 13.988 1.00 0.02 H HETATM 1538 H17 UNN A 113 80.762 58.925 12.461 1.00 0.02 H HETATM 1539 C12 UNN A 113 81.326 61.109 10.987 1.00 -0.06 C HETATM 1540 H18 UNN A 113 81.988 61.761 10.398 1.00 0.02 H HETATM 1541 H19 UNN A 113 80.403 61.653 11.238 1.00 0.02 H HETATM 1542 H20 UNN A 113 81.076 60.214 10.399 1.00 0.02 H HETATM 1543 C13 UNN A 113 81.355 62.804 13.694 1.00 0.20 C HETATM 1544 O14 UNN A 113 80.890 62.441 14.793 1.00 -0.39 O HETATM 1545 N15 UNN A 113 80.820 63.878 13.042 1.00 -0.27 N HETATM 1546 C16 UNN A 113 79.545 64.497 13.457 1.00 0.07 C HETATM 1547 C17 UNN A 113 79.423 65.755 12.573 1.00 -0.01 C HETATM 1548 C18 UNN A 113 80.825 65.972 11.989 1.00 -0.03 C HETATM 1549 C19 UNN A 113 81.389 64.562 11.867 1.00 0.03 C HETATM 1550 H22 UNN A 113 81.060 64.084 10.933 1.00 0.05 H HETATM 1551 H23 UNN A 113 82.488 64.570 11.908 1.00 0.05 H HETATM 1552 H24 UNN A 113 80.768 66.458 11.004 1.00 0.03 H HETATM 1553 H25 UNN A 113 81.441 66.584 12.665 1.00 0.03 H HETATM 1554 C20 UNN A 113 78.311 65.434 11.552 1.00 -0.05 C HETATM 1555 C21 UNN A 113 78.058 63.931 11.653 1.00 -0.03 C HETATM 1556 C22 UNN A 113 78.318 63.610 13.130 1.00 0.07 C HETATM 1557 N25 UNN A 113 77.144 63.960 13.959 1.00 -0.28 N HETATM 1558 C26 UNN A 113 76.610 63.128 14.856 1.00 0.20 C HETATM 1559 O27 UNN A 113 76.939 61.945 14.968 1.00 -0.39 O HETATM 1560 C28 UNN A 113 75.506 63.715 15.782 1.00 0.11 C HETATM 1561 C29 UNN A 113 75.915 63.899 17.284 1.00 -0.01 C HETATM 1562 C30 UNN A 113 75.035 64.635 18.100 1.00 -0.06 C HETATM 1563 C31 UNN A 113 75.326 64.838 19.443 1.00 -0.07 C HETATM 1564 C32 UNN A 113 76.488 64.314 19.997 1.00 -0.07 C HETATM 1565 C33 UNN A 113 77.364 63.583 19.212 1.00 -0.07 C HETATM 1566 C34 UNN A 113 77.088 63.371 17.864 1.00 -0.06 C HETATM 1567 H38 UNN A 113 77.778 62.797 17.256 1.00 0.06 H HETATM 1568 H37 UNN A 113 78.268 63.174 19.649 1.00 0.06 H HETATM 1569 H36 UNN A 113 76.709 64.478 21.046 1.00 0.06 H HETATM 1570 H35 UNN A 113 74.643 65.408 20.062 1.00 0.06 H HETATM 1571 H34 UNN A 113 74.125 65.046 17.678 1.00 0.06 H HETATM 1572 C35 UNN A 113 74.247 62.827 15.560 1.00 -0.01 C HETATM 1573 C36 UNN A 113 73.884 61.793 16.449 1.00 -0.06 C HETATM 1574 C37 UNN A 113 72.747 61.022 16.207 1.00 -0.07 C HETATM 1575 C38 UNN A 113 71.968 61.271 15.080 1.00 -0.07 C HETATM 1576 C39 UNN A 113 72.315 62.288 14.195 1.00 -0.07 C HETATM 1577 C40 UNN A 113 73.451 63.064 14.428 1.00 -0.06 C HETATM 1578 H43 UNN A 113 73.720 63.852 13.733 1.00 0.06 H HETATM 1579 H42 UNN A 113 71.701 62.478 13.322 1.00 0.06 H HETATM 1580 H41 UNN A 113 71.086 60.669 14.891 1.00 0.06 H HETATM 1581 H40 UNN A 113 72.471 60.231 16.895 1.00 0.06 H HETATM 1582 H39 UNN A 113 74.492 61.597 17.325 1.00 0.06 H HETATM 1583 H33 UNN A 113 75.270 64.724 15.412 1.00 0.08 H HETATM 1584 H32 UNN A 113 76.731 64.863 13.842 1.00 0.19 H HETATM 1585 H31 UNN A 113 78.556 62.545 13.269 1.00 0.06 H HETATM 1586 H29 UNN A 113 78.749 63.373 11.004 1.00 0.03 H HETATM 1587 H30 UNN A 113 77.021 63.690 11.377 1.00 0.03 H HETATM 1588 H27 UNN A 113 78.639 65.698 10.536 1.00 0.03 H HETATM 1589 H28 UNN A 113 77.395 65.992 11.798 1.00 0.03 H HETATM 1590 H26 UNN A 113 79.132 66.637 13.163 1.00 0.03 H HETATM 1591 H21 UNN A 113 79.563 64.746 14.528 1.00 0.06 H HETATM 1592 H11 UNN A 113 83.070 62.599 12.368 1.00 0.08 H HETATM 1593 H10 UNN A 113 83.046 61.335 15.075 1.00 0.19 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 695 694 699 1401 CONECT 746 745 750 1401 CONECT 1011 1009 1010 1401 CONECT 1120 1119 1124 1401 CONECT 1401 695 746 1011 1120 CONECT 1513 1514 CONECT 1514 1513 1515 1528 CONECT 1515 1514 1516 1523 1527 CONECT 1516 1515 1517 1521 1522 CONECT 1517 1516 1518 1519 1520 CONECT 1518 1517 CONECT 1519 1517 CONECT 1520 1517 CONECT 1521 1516 CONECT 1522 1516 CONECT 1523 1515 1524 1525 1526 CONECT 1524 1523 CONECT 1525 1523 CONECT 1526 1523 CONECT 1527 1515 CONECT 1528 1514 1529 1593 CONECT 1529 1528 1530 1543 1592 CONECT 1530 1529 1531 1535 1539 CONECT 1531 1530 1532 1533 1534 CONECT 1532 1531 CONECT 1533 1531 CONECT 1534 1531 CONECT 1535 1530 1536 1537 1538 CONECT 1536 1535 CONECT 1537 1535 CONECT 1538 1535 CONECT 1539 1530 1540 1541 1542 CONECT 1540 1539 CONECT 1541 1539 CONECT 1542 1539 CONECT 1543 1529 1544 1545 CONECT 1544 1543 CONECT 1545 1543 1546 1549 CONECT 1546 1545 1547 1556 1591 CONECT 1547 1546 1548 1554 1590 CONECT 1548 1547 1549 1552 1553 CONECT 1549 1545 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1548 CONECT 1553 1548 CONECT 1554 1547 1555 1588 1589 CONECT 1555 1554 1556 1586 1587 CONECT 1556 1546 1555 1557 1585 CONECT 1557 1556 1558 1584 CONECT 1558 1557 1559 1560 CONECT 1559 1558 CONECT 1560 1558 1561 1572 1583 CONECT 1561 1560 1562 1566 CONECT 1562 1561 1563 1571 CONECT 1563 1562 1564 1570 CONECT 1564 1563 1565 1569 CONECT 1565 1564 1566 1568 CONECT 1566 1561 1565 1567 CONECT 1567 1566 CONECT 1568 1565 CONECT 1569 1564 CONECT 1570 1563 CONECT 1571 1562 CONECT 1572 1560 1573 1577 CONECT 1573 1572 1574 1582 CONECT 1574 1573 1575 1581 CONECT 1575 1574 1576 1580 CONECT 1576 1575 1577 1579 CONECT 1577 1572 1576 1578 CONECT 1578 1577 CONECT 1579 1576 CONECT 1580 1575 CONECT 1581 1574 CONECT 1582 1573 CONECT 1583 1560 CONECT 1584 1557 CONECT 1585 1556 CONECT 1586 1555 CONECT 1587 1555 CONECT 1588 1554 CONECT 1589 1554 CONECT 1590 1547 CONECT 1591 1546 CONECT 1592 1529 CONECT 1593 1528 MASTER 0 0 0 0 0 0 0 0 1592 1 90 7 END
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Structure:
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Related entries of code: 3f7h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
140aa, >1OXN_1|Chains... *
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
133aa, >2I3H_1|Chains... at 90%
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PDBbind
133aa, >2I3I_1|Chains... at 90%
3f7g
RCSB PDB
PDBbind
140aa, >3F7G_1|Chains... at 99%
3f7i
RCSB PDB
PDBbind
133aa, >3F7I_1|Chains... at 90%
3gt9
RCSB PDB
PDBbind
133aa, >3GT9_1|Chains... at 90%
3gta
RCSB PDB
PDBbind
133aa, >3GTA_1|Chains... at 90%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3f7h
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Baculoviral IAP repeat-containing protein 7
Ligand Name
419
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=82nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Med.Chem. Vol. 52: pp. 1723-1730
Ligand Properties
Formula
C
3
1
H
4
3
N
4
O
3
Molecular Weight
519.698
Exact Mass
519.334
No. of atoms
81
No. of bonds
84
Polar Surface Area
95.12
LOGP Value
4.45 (
Computed with XLOGP3
)
3.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
C[NH2+][C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c1ccccc1)c1ccccc1)C
InChI String
InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/p+1/t20-,23+,24-,26-,27+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96CA5
Entrez Gene ID
NCBI Entrez Gene ID:
79444
ASD
Information of known allosteric effects of PDB entries
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