Browse entries in the PDBbind-CN Database
HEADER 1SWI_COMPLEX COMPND 1SWI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 31 ARG MET LYS GLN LEU GLU ASP LYS VAL GLU GLU LEU LEU SEQRES 2 A 31 SER LYS ALA TYR HIS LEU GLU ASN GLU VAL ALA ARG LEU SEQRES 3 A 31 LYS LYS LEU VAL GLY SEQRES 1 B 30 ARG MET LYS GLN LEU GLU ASP LYS VAL GLU GLU LEU LEU SEQRES 2 B 30 SER LYS ALA TYR HIS LEU GLU ASN GLU VAL ALA ARG LEU SEQRES 3 B 30 LYS LYS LEU VAL SEQRES 1 C 30 ARG MET LYS GLN LEU GLU ASP LYS VAL GLU GLU LEU LEU SEQRES 2 C 30 SER LYS ALA TYR HIS LEU GLU ASN GLU VAL ALA ARG LEU SEQRES 3 C 30 LYS LYS LEU VAL HET BNZ A 121 12 ATOM 1 N ARG A 1 -14.665 -29.653 37.225 1.00100.00 N ATOM 2 CA ARG A 1 -13.696 -28.563 37.208 1.00100.00 C ATOM 3 C ARG A 1 -13.924 -27.529 36.055 1.00100.00 C ATOM 4 O ARG A 1 -13.476 -26.373 36.141 1.00 62.76 O ATOM 5 CB ARG A 1 -12.250 -29.082 37.397 1.00 62.76 C ATOM 6 CG ARG A 1 -11.319 -28.344 38.377 1.00 62.76 C ATOM 7 CD ARG A 1 -10.859 -29.158 39.586 1.00 62.76 C ATOM 8 NE ARG A 1 -11.656 -28.828 40.787 1.00 62.76 N ATOM 9 CZ ARG A 1 -12.129 -29.646 41.777 1.00 62.76 C ATOM 10 NH1 ARG A 1 -11.914 -30.981 41.859 1.00 62.76 N ATOM 11 NH2 ARG A 1 -12.853 -29.070 42.742 1.00 62.76 N ATOM 12 HA ARG A 1 -13.877 -27.947 38.088 1.00 0.00 H ATOM 13 HB2 ARG A 1 -12.322 -30.114 37.739 1.00 0.00 H ATOM 14 HB3 ARG A 1 -11.770 -29.057 36.419 1.00 0.00 H ATOM 15 HG2 ARG A 1 -10.432 -28.030 37.826 1.00 0.00 H ATOM 16 HG3 ARG A 1 -11.847 -27.465 38.745 1.00 0.00 H ATOM 17 HD2 ARG A 1 -9.810 -28.939 39.784 1.00 0.00 H ATOM 18 HD3 ARG A 1 -10.972 -30.219 39.364 1.00 0.00 H ATOM 19 HE ARG A 1 -11.893 -27.821 40.896 1.00 0.00 H ATOM 20 HH12 ARG A 1 -12.314 -31.525 42.650 1.00 0.00 H ATOM 21 HH11 ARG A 1 -11.349 -31.462 41.131 1.00 0.00 H ATOM 22 HH22 ARG A 1 -13.237 -29.646 43.518 1.00 0.00 H ATOM 23 HH21 ARG A 1 -13.033 -28.046 42.716 1.00 0.00 H ATOM 24 HN3 ARG A 1 -14.613 -30.176 36.327 1.00 0.00 H ATOM 25 HN2 ARG A 1 -15.622 -29.263 37.345 1.00 0.00 H ATOM 26 HN1 ARG A 1 -14.449 -30.295 38.014 1.00 0.00 H ATOM 27 N MET A 2 -14.656 -27.881 34.968 1.00 52.74 N ATOM 28 CA MET A 2 -14.933 -26.860 33.951 1.00 52.74 C ATOM 29 C MET A 2 -15.943 -25.785 34.362 1.00 52.74 C ATOM 30 O MET A 2 -15.879 -24.652 33.910 1.00 45.59 O ATOM 31 CB MET A 2 -14.535 -27.021 32.463 1.00 45.59 C ATOM 32 CG MET A 2 -13.085 -27.452 32.296 1.00 45.59 C ATOM 33 SD MET A 2 -12.759 -28.908 31.220 1.00 45.59 S ATOM 34 CE MET A 2 -12.039 -30.105 32.392 1.00 45.59 C ATOM 35 HA MET A 2 -13.942 -26.407 33.948 1.00 0.00 H ATOM 36 HB2 MET A 2 -15.179 -27.773 32.007 1.00 0.00 H ATOM 37 HB3 MET A 2 -14.678 -26.066 31.956 1.00 0.00 H ATOM 38 HG2 MET A 2 -12.695 -27.683 33.287 1.00 0.00 H ATOM 39 HG3 MET A 2 -12.537 -26.607 31.879 1.00 0.00 H ATOM 40 HE1 MET A 2 -11.131 -29.686 32.826 1.00 0.00 H ATOM 41 HE2 MET A 2 -12.759 -30.314 33.184 1.00 0.00 H ATOM 42 HE3 MET A 2 -11.798 -31.028 31.865 1.00 0.00 H ATOM 43 H MET A 2 -15.012 -28.852 34.858 1.00 0.00 H ATOM 44 N LYS A 3 -16.845 -26.105 35.315 1.00 27.86 N ATOM 45 CA LYS A 3 -17.758 -25.087 35.805 1.00 27.86 C ATOM 46 C LYS A 3 -17.041 -23.790 36.127 1.00 27.86 C ATOM 47 O LYS A 3 -17.270 -22.754 35.518 1.00 70.51 O ATOM 48 CB LYS A 3 -18.587 -25.504 37.000 1.00 70.51 C ATOM 49 CG LYS A 3 -19.947 -24.788 36.969 1.00 70.51 C ATOM 50 CD LYS A 3 -20.690 -24.862 35.616 1.00 70.51 C ATOM 51 CE LYS A 3 -22.218 -24.795 35.721 1.00 70.51 C ATOM 52 NZ LYS A 3 -22.724 -23.899 36.785 1.00 70.51 N ATOM 53 HA LYS A 3 -18.449 -24.936 34.975 1.00 0.00 H ATOM 54 HB2 LYS A 3 -18.745 -26.582 36.972 1.00 0.00 H ATOM 55 HB3 LYS A 3 -18.060 -25.239 37.916 1.00 0.00 H ATOM 56 HG2 LYS A 3 -20.584 -25.237 37.731 1.00 0.00 H ATOM 57 HG3 LYS A 3 -19.783 -23.737 37.208 1.00 0.00 H ATOM 58 HD2 LYS A 3 -20.355 -24.029 34.998 1.00 0.00 H ATOM 59 HD3 LYS A 3 -20.423 -25.802 35.133 1.00 0.00 H ATOM 60 HE2 LYS A 3 -22.590 -25.801 35.918 1.00 0.00 H ATOM 61 HE3 LYS A 3 -22.610 -24.444 34.766 1.00 0.00 H ATOM 62 HZ1 LYS A 3 -22.372 -24.225 37.708 1.00 0.00 H ATOM 63 HZ2 LYS A 3 -22.391 -22.930 36.608 1.00 0.00 H ATOM 64 HZ3 LYS A 3 -23.764 -23.915 36.784 1.00 0.00 H ATOM 65 H LYS A 3 -16.886 -27.072 35.695 1.00 0.00 H ATOM 66 N GLN A 4 -16.156 -23.891 37.102 1.00100.00 N ATOM 67 CA GLN A 4 -15.378 -22.766 37.562 1.00100.00 C ATOM 68 C GLN A 4 -14.674 -22.006 36.428 1.00100.00 C ATOM 69 O GLN A 4 -14.973 -20.821 36.187 1.00 69.46 O ATOM 70 CB GLN A 4 -14.469 -23.160 38.760 1.00 69.46 C ATOM 71 CG GLN A 4 -15.237 -24.050 39.778 1.00 69.46 C ATOM 72 CD GLN A 4 -14.565 -24.307 41.127 1.00 69.46 C ATOM 73 OE1 GLN A 4 -15.224 -24.663 42.145 1.00 69.46 O ATOM 74 NE2 GLN A 4 -13.243 -24.165 41.121 1.00 69.46 N ATOM 75 HA GLN A 4 -16.072 -22.024 37.957 1.00 0.00 H ATOM 76 HB2 GLN A 4 -13.606 -23.710 38.386 1.00 0.00 H ATOM 77 HB3 GLN A 4 -14.131 -22.254 39.263 1.00 0.00 H ATOM 78 HG2 GLN A 4 -16.196 -23.571 39.975 1.00 0.00 H ATOM 79 HG3 GLN A 4 -15.406 -25.018 39.306 1.00 0.00 H ATOM 80 HE22 GLN A 4 -12.756 -23.869 40.251 1.00 0.00 H ATOM 81 HE21 GLN A 4 -12.696 -24.350 41.986 1.00 0.00 H ATOM 82 H GLN A 4 -16.014 -24.816 37.555 1.00 0.00 H ATOM 83 N LEU A 5 -13.760 -22.698 35.710 1.00 33.53 N ATOM 84 CA LEU A 5 -12.984 -22.076 34.638 1.00 33.53 C ATOM 85 C LEU A 5 -13.783 -21.399 33.551 1.00 33.53 C ATOM 86 O LEU A 5 -13.488 -20.261 33.215 1.00 82.94 O ATOM 87 CB LEU A 5 -11.757 -22.815 34.138 1.00 82.94 C ATOM 88 CG LEU A 5 -10.584 -21.852 34.163 1.00 82.94 C ATOM 89 CD1 LEU A 5 -9.683 -22.189 35.326 1.00 82.94 C ATOM 90 CD2 LEU A 5 -9.830 -21.847 32.828 1.00 82.94 C ATOM 91 HA LEU A 5 -12.539 -21.254 35.199 1.00 0.00 H ATOM 92 HB2 LEU A 5 -11.550 -23.667 34.785 1.00 0.00 H ATOM 93 HB3 LEU A 5 -11.926 -23.166 33.120 1.00 0.00 H ATOM 94 HG LEU A 5 -10.959 -20.838 34.301 1.00 0.00 H ATOM 95 HD21 LEU A 5 -9.450 -22.848 32.623 1.00 0.00 H ATOM 96 HD22 LEU A 5 -10.508 -21.544 32.030 1.00 0.00 H ATOM 97 HD23 LEU A 5 -8.998 -21.146 32.885 1.00 0.00 H ATOM 98 HD11 LEU A 5 -10.245 -22.103 36.256 1.00 0.00 H ATOM 99 HD12 LEU A 5 -9.315 -23.209 35.215 1.00 0.00 H ATOM 100 HD13 LEU A 5 -8.841 -21.497 35.344 1.00 0.00 H ATOM 101 H LEU A 5 -13.604 -23.703 35.927 1.00 0.00 H ATOM 102 N GLU A 6 -14.828 -22.080 33.049 1.00 31.67 N ATOM 103 CA GLU A 6 -15.723 -21.534 32.032 1.00 31.67 C ATOM 104 C GLU A 6 -16.758 -20.545 32.587 1.00 31.67 C ATOM 105 O GLU A 6 -17.643 -20.106 31.878 1.00100.00 O ATOM 106 CB GLU A 6 -16.250 -22.593 31.068 1.00100.00 C ATOM 107 CG GLU A 6 -15.185 -22.953 29.999 1.00100.00 C ATOM 108 CD GLU A 6 -14.010 -23.818 30.456 1.00100.00 C ATOM 109 OE1 GLU A 6 -13.638 -23.952 31.617 1.00100.00 O ATOM 110 OE2 GLU A 6 -13.411 -24.415 29.453 1.00100.00 O ATOM 111 HA GLU A 6 -15.112 -20.898 31.392 1.00 0.00 H ATOM 112 HB2 GLU A 6 -16.508 -23.490 31.630 1.00 0.00 H ATOM 113 HB3 GLU A 6 -17.140 -22.210 30.569 1.00 0.00 H ATOM 114 HG2 GLU A 6 -15.693 -23.485 29.194 1.00 0.00 H ATOM 115 HG3 GLU A 6 -14.776 -22.019 29.614 1.00 0.00 H ATOM 116 H GLU A 6 -15.008 -23.042 33.402 1.00 0.00 H ATOM 117 N ASP A 7 -16.584 -20.158 33.854 1.00 77.17 N ATOM 118 CA ASP A 7 -17.432 -19.174 34.528 1.00 77.17 C ATOM 119 C ASP A 7 -16.618 -17.845 34.857 1.00 77.17 C ATOM 120 O ASP A 7 -17.135 -16.660 34.939 1.00 37.89 O ATOM 121 CB ASP A 7 -18.210 -19.815 35.737 1.00 37.89 C ATOM 122 CG ASP A 7 -19.479 -20.684 35.479 1.00 37.89 C ATOM 123 OD1 ASP A 7 -20.064 -20.854 34.389 1.00 37.89 O ATOM 124 OD2 ASP A 7 -19.921 -21.249 36.601 1.00 37.89 O ATOM 125 HA ASP A 7 -18.220 -18.850 33.848 1.00 0.00 H ATOM 126 HB2 ASP A 7 -17.499 -20.447 36.269 1.00 0.00 H ATOM 127 HB3 ASP A 7 -18.518 -18.993 36.384 1.00 0.00 H ATOM 128 H ASP A 7 -15.801 -20.580 34.392 1.00 0.00 H ATOM 129 N LYS A 8 -15.282 -18.051 35.018 1.00 24.38 N ATOM 130 CA LYS A 8 -14.345 -16.955 35.294 1.00 24.38 C ATOM 131 C LYS A 8 -13.938 -16.342 34.007 1.00 24.38 C ATOM 132 O LYS A 8 -13.704 -15.152 33.963 1.00 68.88 O ATOM 133 CB LYS A 8 -13.181 -17.172 36.276 1.00 68.88 C ATOM 134 CG LYS A 8 -13.283 -16.330 37.562 1.00 68.88 C ATOM 135 CD LYS A 8 -13.346 -17.134 38.871 1.00 68.88 C ATOM 136 CE LYS A 8 -12.628 -18.496 38.829 1.00 68.88 C ATOM 137 NZ LYS A 8 -12.480 -19.169 40.137 1.00 68.88 N ATOM 138 HA LYS A 8 -14.921 -16.261 35.906 1.00 0.00 H ATOM 139 HB2 LYS A 8 -13.160 -18.225 36.556 1.00 0.00 H ATOM 140 HB3 LYS A 8 -12.251 -16.913 35.769 1.00 0.00 H ATOM 141 HG2 LYS A 8 -12.410 -15.679 37.608 1.00 0.00 H ATOM 142 HG3 LYS A 8 -14.185 -15.722 37.496 1.00 0.00 H ATOM 143 HD2 LYS A 8 -12.891 -16.535 39.659 1.00 0.00 H ATOM 144 HD3 LYS A 8 -14.395 -17.311 39.110 1.00 0.00 H ATOM 145 HE2 LYS A 8 -11.632 -18.340 38.415 1.00 0.00 H ATOM 146 HE3 LYS A 8 -13.194 -19.156 38.172 1.00 0.00 H ATOM 147 HZ1 LYS A 8 -11.929 -18.562 40.777 1.00 0.00 H ATOM 148 HZ2 LYS A 8 -13.421 -19.342 40.545 1.00 0.00 H ATOM 149 HZ3 LYS A 8 -11.986 -20.075 40.006 1.00 0.00 H ATOM 150 H LYS A 8 -14.912 -19.020 34.943 1.00 0.00 H ATOM 151 N VAL A 9 -13.977 -17.163 32.974 1.00 17.28 N ATOM 152 CA VAL A 9 -13.757 -16.679 31.653 1.00 17.28 C ATOM 153 C VAL A 9 -15.051 -15.961 31.228 1.00 17.28 C ATOM 154 O VAL A 9 -15.245 -15.474 30.080 1.00 14.77 O ATOM 155 CB VAL A 9 -13.401 -17.830 30.766 1.00 14.77 C ATOM 156 CG1 VAL A 9 -13.251 -17.459 29.279 1.00 14.77 C ATOM 157 CG2 VAL A 9 -12.220 -18.589 31.368 1.00 14.77 C ATOM 158 HA VAL A 9 -12.928 -15.975 31.589 1.00 0.00 H ATOM 159 HB VAL A 9 -14.247 -18.517 30.737 1.00 0.00 H ATOM 160 HG11 VAL A 9 -14.192 -17.050 28.911 1.00 0.00 H ATOM 161 HG12 VAL A 9 -12.463 -16.714 29.169 1.00 0.00 H ATOM 162 HG13 VAL A 9 -12.993 -18.351 28.708 1.00 0.00 H ATOM 163 HG21 VAL A 9 -11.365 -17.918 31.455 1.00 0.00 H ATOM 164 HG22 VAL A 9 -12.494 -18.961 32.355 1.00 0.00 H ATOM 165 HG23 VAL A 9 -11.961 -19.427 30.721 1.00 0.00 H ATOM 166 H VAL A 9 -14.170 -18.173 33.127 1.00 0.00 H ATOM 167 N GLU A 10 -16.008 -15.876 32.182 1.00 18.03 N ATOM 168 CA GLU A 10 -17.230 -15.097 31.904 1.00 18.03 C ATOM 169 C GLU A 10 -17.091 -13.789 32.658 1.00 18.03 C ATOM 170 O GLU A 10 -17.105 -12.700 32.059 1.00100.00 O ATOM 171 CB GLU A 10 -18.554 -15.763 32.295 1.00100.00 C ATOM 172 CG GLU A 10 -19.757 -15.027 31.664 1.00100.00 C ATOM 173 CD GLU A 10 -20.986 -15.087 32.523 1.00100.00 C ATOM 174 OE1 GLU A 10 -21.337 -16.097 33.104 1.00100.00 O ATOM 175 OE2 GLU A 10 -21.617 -13.938 32.578 1.00100.00 O ATOM 176 HA GLU A 10 -17.294 -14.982 30.822 1.00 0.00 H ATOM 177 HB2 GLU A 10 -18.548 -16.797 31.949 1.00 0.00 H ATOM 178 HB3 GLU A 10 -18.655 -15.745 33.380 1.00 0.00 H ATOM 179 HG2 GLU A 10 -19.487 -13.982 31.513 1.00 0.00 H ATOM 180 HG3 GLU A 10 -19.981 -15.486 30.701 1.00 0.00 H ATOM 181 H GLU A 10 -15.884 -16.353 33.098 1.00 0.00 H ATOM 182 N GLU A 11 -16.830 -13.921 33.970 1.00 23.32 N ATOM 183 CA GLU A 11 -16.488 -12.740 34.744 1.00 23.32 C ATOM 184 C GLU A 11 -15.426 -11.757 34.068 1.00 23.32 C ATOM 185 O GLU A 11 -15.427 -10.546 34.276 1.00 96.02 O ATOM 186 CB GLU A 11 -15.922 -13.176 36.126 1.00 96.02 C ATOM 187 CG GLU A 11 -15.211 -12.042 36.911 1.00 96.02 C ATOM 188 CD GLU A 11 -15.769 -11.811 38.295 1.00 96.02 C ATOM 189 OE1 GLU A 11 -16.787 -10.973 38.322 1.00 96.02 O ATOM 190 OE2 GLU A 11 -15.326 -12.373 39.282 1.00 96.02 O ATOM 191 HA GLU A 11 -17.419 -12.179 34.823 1.00 0.00 H ATOM 192 HB2 GLU A 11 -16.749 -13.545 36.733 1.00 0.00 H ATOM 193 HB3 GLU A 11 -15.205 -13.981 35.963 1.00 0.00 H ATOM 194 HG2 GLU A 11 -14.156 -12.299 37.005 1.00 0.00 H ATOM 195 HG3 GLU A 11 -15.309 -11.117 36.343 1.00 0.00 H ATOM 196 H GLU A 11 -16.872 -14.855 34.425 1.00 0.00 H ATOM 197 N LEU A 12 -14.431 -12.281 33.348 1.00 34.33 N ATOM 198 CA LEU A 12 -13.423 -11.455 32.753 1.00 34.33 C ATOM 199 C LEU A 12 -13.950 -11.042 31.414 1.00 34.33 C ATOM 200 O LEU A 12 -13.481 -10.050 30.892 1.00 43.67 O ATOM 201 CB LEU A 12 -12.131 -12.231 32.390 1.00 43.67 C ATOM 202 CG LEU A 12 -11.086 -12.612 33.453 1.00 43.67 C ATOM 203 CD1 LEU A 12 -9.818 -12.998 32.710 1.00 43.67 C ATOM 204 CD2 LEU A 12 -10.776 -11.518 34.486 1.00 43.67 C ATOM 205 HA LEU A 12 -13.202 -10.658 33.463 1.00 0.00 H ATOM 206 HB2 LEU A 12 -12.454 -13.165 31.930 1.00 0.00 H ATOM 207 HB3 LEU A 12 -11.608 -11.625 31.650 1.00 0.00 H ATOM 208 HG LEU A 12 -11.500 -13.431 34.042 1.00 0.00 H ATOM 209 HD21 LEU A 12 -10.392 -10.635 33.974 1.00 0.00 H ATOM 210 HD22 LEU A 12 -11.688 -11.260 35.024 1.00 0.00 H ATOM 211 HD23 LEU A 12 -10.029 -11.886 35.189 1.00 0.00 H ATOM 212 HD11 LEU A 12 -10.026 -13.843 32.053 1.00 0.00 H ATOM 213 HD12 LEU A 12 -9.474 -12.151 32.117 1.00 0.00 H ATOM 214 HD13 LEU A 12 -9.048 -13.276 33.429 1.00 0.00 H ATOM 215 H LEU A 12 -14.387 -13.312 33.216 1.00 0.00 H ATOM 216 N LEU A 13 -14.797 -11.862 30.775 1.00 44.50 N ATOM 217 CA LEU A 13 -15.286 -11.530 29.436 1.00 44.50 C ATOM 218 C LEU A 13 -16.224 -10.345 29.629 1.00 44.50 C ATOM 219 O LEU A 13 -16.295 -9.335 28.895 1.00 15.58 O ATOM 220 CB LEU A 13 -16.067 -12.721 28.812 1.00 15.58 C ATOM 221 CG LEU A 13 -15.384 -13.599 27.715 1.00 15.58 C ATOM 222 CD1 LEU A 13 -16.346 -14.673 27.150 1.00 15.58 C ATOM 223 CD2 LEU A 13 -14.857 -12.745 26.566 1.00 15.58 C ATOM 224 HA LEU A 13 -14.460 -11.303 28.762 1.00 0.00 H ATOM 225 HB2 LEU A 13 -16.335 -13.388 29.631 1.00 0.00 H ATOM 226 HB3 LEU A 13 -16.974 -12.309 28.369 1.00 0.00 H ATOM 227 HG LEU A 13 -14.548 -14.101 28.202 1.00 0.00 H ATOM 228 HD21 LEU A 13 -15.684 -12.202 26.109 1.00 0.00 H ATOM 229 HD22 LEU A 13 -14.123 -12.036 26.949 1.00 0.00 H ATOM 230 HD23 LEU A 13 -14.388 -13.389 25.822 1.00 0.00 H ATOM 231 HD11 LEU A 13 -16.671 -15.328 27.958 1.00 0.00 H ATOM 232 HD12 LEU A 13 -17.213 -14.184 26.705 1.00 0.00 H ATOM 233 HD13 LEU A 13 -15.828 -15.259 26.391 1.00 0.00 H ATOM 234 H LEU A 13 -15.109 -12.741 31.235 1.00 0.00 H ATOM 235 N SER A 14 -16.949 -10.449 30.706 1.00 19.64 N ATOM 236 CA SER A 14 -17.844 -9.380 30.882 1.00 19.64 C ATOM 237 C SER A 14 -17.053 -8.082 30.860 1.00 19.64 C ATOM 238 O SER A 14 -17.271 -7.203 29.978 1.00 49.83 O ATOM 239 CB SER A 14 -18.707 -9.531 32.117 1.00 49.83 C ATOM 240 OG SER A 14 -17.923 -9.602 33.290 1.00 49.83 O ATOM 241 HA SER A 14 -18.559 -9.372 30.059 1.00 0.00 H ATOM 242 HB2 SER A 14 -19.296 -10.444 32.028 1.00 0.00 H ATOM 243 HB3 SER A 14 -19.376 -8.674 32.189 1.00 0.00 H ATOM 244 HG SER A 14 -17.316 -10.382 33.233 1.00 0.00 H ATOM 245 H SER A 14 -16.873 -11.245 31.371 1.00 0.00 H ATOM 246 N LYS A 15 -16.172 -8.007 31.899 1.00 23.11 N ATOM 247 CA LYS A 15 -15.247 -6.925 32.322 1.00 23.11 C ATOM 248 C LYS A 15 -14.265 -6.378 31.283 1.00 23.11 C ATOM 249 O LYS A 15 -13.702 -5.364 31.467 1.00 37.09 O ATOM 250 CB LYS A 15 -14.555 -7.344 33.596 1.00 37.09 C ATOM 251 CG LYS A 15 -15.551 -7.793 34.642 1.00 37.09 C ATOM 252 CD LYS A 15 -14.858 -8.171 35.947 1.00 37.09 C ATOM 253 CE LYS A 15 -15.649 -7.818 37.221 1.00 37.09 C ATOM 254 NZ LYS A 15 -14.878 -8.004 38.483 1.00 37.09 N ATOM 255 HA LYS A 15 -15.886 -6.056 32.482 1.00 0.00 H ATOM 256 HB2 LYS A 15 -13.875 -8.167 33.377 1.00 0.00 H ATOM 257 HB3 LYS A 15 -13.987 -6.499 33.986 1.00 0.00 H ATOM 258 HG2 LYS A 15 -16.253 -6.981 34.835 1.00 0.00 H ATOM 259 HG3 LYS A 15 -16.095 -8.659 34.265 1.00 0.00 H ATOM 260 HD2 LYS A 15 -14.686 -9.247 35.941 1.00 0.00 H ATOM 261 HD3 LYS A 15 -13.901 -7.651 35.986 1.00 0.00 H ATOM 262 HE2 LYS A 15 -16.534 -8.453 37.263 1.00 0.00 H ATOM 263 HE3 LYS A 15 -15.955 -6.774 37.157 1.00 0.00 H ATOM 264 HZ1 LYS A 15 -14.587 -8.999 38.567 1.00 0.00 H ATOM 265 HZ2 LYS A 15 -14.035 -7.396 38.466 1.00 0.00 H ATOM 266 HZ3 LYS A 15 -15.476 -7.747 39.294 1.00 0.00 H ATOM 267 H LYS A 15 -16.143 -8.856 32.500 1.00 0.00 H ATOM 268 N ALA A 16 -14.028 -7.064 30.219 1.00 3.93 N ATOM 269 CA ALA A 16 -13.196 -6.637 29.129 1.00 3.93 C ATOM 270 C ALA A 16 -14.106 -5.799 28.240 1.00 3.93 C ATOM 271 O ALA A 16 -13.703 -4.920 27.492 1.00 28.71 O ATOM 272 CB ALA A 16 -12.634 -7.826 28.349 1.00 28.71 C ATOM 273 HA ALA A 16 -12.332 -6.077 29.486 1.00 0.00 H ATOM 274 HB1 ALA A 16 -12.036 -8.446 29.016 1.00 0.00 H ATOM 275 HB2 ALA A 16 -13.457 -8.415 27.944 1.00 0.00 H ATOM 276 HB3 ALA A 16 -12.010 -7.461 27.533 1.00 0.00 H ATOM 277 H ALA A 16 -14.474 -8.000 30.143 1.00 0.00 H ATOM 278 N TYR A 17 -15.384 -6.081 28.295 1.00 15.01 N ATOM 279 CA TYR A 17 -16.348 -5.360 27.548 1.00 15.01 C ATOM 280 C TYR A 17 -16.609 -4.043 28.301 1.00 15.01 C ATOM 281 O TYR A 17 -16.154 -3.057 27.807 1.00 14.29 O ATOM 282 CB TYR A 17 -17.531 -6.309 27.355 1.00 14.29 C ATOM 283 CG TYR A 17 -18.890 -5.686 27.045 1.00 14.29 C ATOM 284 CD1 TYR A 17 -19.243 -5.401 25.719 1.00 14.29 C ATOM 285 CD2 TYR A 17 -19.766 -5.385 28.087 1.00 14.29 C ATOM 286 CE1 TYR A 17 -20.452 -4.791 25.413 1.00 14.29 C ATOM 287 CE2 TYR A 17 -21.010 -4.861 27.788 1.00 14.29 C ATOM 288 CZ TYR A 17 -21.330 -4.589 26.466 1.00 14.29 C ATOM 289 OH TYR A 17 -22.574 -4.066 26.190 1.00 14.29 O ATOM 290 HA TYR A 17 -16.052 -5.051 26.545 1.00 0.00 H ATOM 291 HB3 TYR A 17 -17.638 -6.888 28.272 1.00 0.00 H ATOM 292 HB2 TYR A 17 -17.282 -6.978 26.531 1.00 0.00 H ATOM 293 HD2 TYR A 17 -19.474 -5.560 29.123 1.00 0.00 H ATOM 294 HE2 TYR A 17 -21.731 -4.664 28.582 1.00 0.00 H ATOM 295 HE1 TYR A 17 -20.698 -4.486 24.396 1.00 0.00 H ATOM 296 HD1 TYR A 17 -18.556 -5.663 24.914 1.00 0.00 H ATOM 297 HH TYR A 17 -22.662 -3.924 25.214 1.00 0.00 H ATOM 298 H TYR A 17 -15.701 -6.860 28.907 1.00 0.00 H ATOM 299 N HIS A 18 -17.217 -3.991 29.532 1.00 2.00 N ATOM 300 CA HIS A 18 -17.374 -2.765 30.390 1.00 2.00 C ATOM 301 C HIS A 18 -16.259 -1.786 30.170 1.00 2.00 C ATOM 302 O HIS A 18 -16.451 -0.794 29.481 1.00 50.44 O ATOM 303 CB HIS A 18 -17.332 -3.179 31.866 1.00 50.44 C ATOM 304 CG HIS A 18 -17.491 -2.105 32.898 1.00 50.44 C ATOM 305 ND1 HIS A 18 -16.948 -2.255 34.173 1.00 50.44 N ATOM 306 CD2 HIS A 18 -18.189 -0.930 32.868 1.00 50.44 C ATOM 307 CE1 HIS A 18 -17.275 -1.173 34.857 1.00 50.44 C ATOM 308 NE2 HIS A 18 -18.031 -0.361 34.106 1.00 50.44 N ATOM 309 HA HIS A 18 -18.322 -2.297 30.124 1.00 0.00 H ATOM 310 HB2 HIS A 18 -18.132 -3.903 32.024 1.00 0.00 H ATOM 311 HB3 HIS A 18 -16.369 -3.659 32.042 1.00 0.00 H ATOM 312 HD2 HIS A 18 -18.757 -0.527 32.029 1.00 0.00 H ATOM 313 HE1 HIS A 18 -16.973 -0.970 35.885 1.00 0.00 H ATOM 314 H HIS A 18 -17.604 -4.881 29.905 1.00 0.00 H ATOM 315 N LEU A 19 -15.047 -2.170 30.651 1.00 17.46 N ATOM 316 CA LEU A 19 -13.764 -1.444 30.471 1.00 17.46 C ATOM 317 C LEU A 19 -13.491 -1.045 29.067 1.00 17.46 C ATOM 318 O LEU A 19 -13.269 0.130 28.873 1.00 27.33 O ATOM 319 CB LEU A 19 -12.494 -2.111 30.895 1.00 27.33 C ATOM 320 CG LEU A 19 -12.505 -2.320 32.362 1.00 27.33 C ATOM 321 CD1 LEU A 19 -11.826 -3.661 32.634 1.00 27.33 C ATOM 322 CD2 LEU A 19 -11.767 -1.182 33.053 1.00 27.33 C ATOM 323 HA LEU A 19 -13.975 -0.614 31.145 1.00 0.00 H ATOM 324 HB2 LEU A 19 -12.405 -3.074 30.392 1.00 0.00 H ATOM 325 HB3 LEU A 19 -11.646 -1.482 30.625 1.00 0.00 H ATOM 326 HG LEU A 19 -13.523 -2.332 32.751 1.00 0.00 H ATOM 327 HD21 LEU A 19 -10.736 -1.153 32.701 1.00 0.00 H ATOM 328 HD22 LEU A 19 -12.259 -0.237 32.820 1.00 0.00 H ATOM 329 HD23 LEU A 19 -11.780 -1.344 34.131 1.00 0.00 H ATOM 330 HD11 LEU A 19 -12.377 -4.455 32.129 1.00 0.00 H ATOM 331 HD12 LEU A 19 -10.803 -3.632 32.259 1.00 0.00 H ATOM 332 HD13 LEU A 19 -11.815 -3.850 33.707 1.00 0.00 H ATOM 333 H LEU A 19 -15.015 -3.055 31.196 1.00 0.00 H ATOM 334 N GLU A 20 -13.462 -1.959 28.083 1.00 7.47 N ATOM 335 CA GLU A 20 -13.266 -1.463 26.714 1.00 7.47 C ATOM 336 C GLU A 20 -14.217 -0.253 26.560 1.00 7.47 C ATOM 337 O GLU A 20 -13.858 0.855 26.130 1.00 40.01 O ATOM 338 CB GLU A 20 -13.638 -2.460 25.633 1.00 40.01 C ATOM 339 CG GLU A 20 -12.469 -3.147 24.913 1.00 40.01 C ATOM 340 CD GLU A 20 -12.965 -4.460 24.337 1.00 40.01 C ATOM 341 OE1 GLU A 20 -13.602 -5.245 25.037 1.00 40.01 O ATOM 342 OE2 GLU A 20 -12.791 -4.616 23.006 1.00 40.01 O ATOM 343 HA GLU A 20 -12.207 -1.237 26.587 1.00 0.00 H ATOM 344 HB2 GLU A 20 -14.249 -3.237 26.093 1.00 0.00 H ATOM 345 HB3 GLU A 20 -14.227 -1.933 24.883 1.00 0.00 H ATOM 346 HG2 GLU A 20 -12.104 -2.507 24.110 1.00 0.00 H ATOM 347 HG3 GLU A 20 -11.661 -3.337 25.620 1.00 0.00 H ATOM 348 H GLU A 20 -13.573 -2.974 28.282 1.00 0.00 H ATOM 349 N ASN A 21 -15.446 -0.466 27.001 1.00 30.58 N ATOM 350 CA ASN A 21 -16.438 0.563 26.916 1.00 30.58 C ATOM 351 C ASN A 21 -16.101 1.830 27.641 1.00 30.58 C ATOM 352 O ASN A 21 -16.106 2.889 27.050 1.00 22.16 O ATOM 353 CB ASN A 21 -17.870 0.124 27.184 1.00 22.16 C ATOM 354 CG ASN A 21 -18.426 -0.666 26.047 1.00 22.16 C ATOM 355 OD1 ASN A 21 -17.832 -0.918 24.989 1.00 22.16 O ATOM 356 ND2 ASN A 21 -19.599 -1.169 26.331 1.00 22.16 N ATOM 357 HA ASN A 21 -16.403 0.802 25.853 1.00 0.00 H ATOM 358 HB2 ASN A 21 -17.889 -0.490 28.084 1.00 0.00 H ATOM 359 HB3 ASN A 21 -18.489 1.009 27.336 1.00 0.00 H ATOM 360 HD22 ASN A 21 -20.063 -0.931 27.231 1.00 0.00 H ATOM 361 HD21 ASN A 21 -20.068 -1.807 25.657 1.00 0.00 H ATOM 362 H ASN A 21 -15.694 -1.388 27.413 1.00 0.00 H ATOM 363 N GLU A 22 -15.907 1.705 28.911 1.00 26.96 N ATOM 364 CA GLU A 22 -15.550 2.797 29.773 1.00 26.96 C ATOM 365 C GLU A 22 -14.341 3.655 29.262 1.00 26.96 C ATOM 366 O GLU A 22 -14.468 4.864 29.060 1.00 50.70 O ATOM 367 CB GLU A 22 -15.297 2.178 31.145 1.00 50.70 C ATOM 368 CG GLU A 22 -15.216 3.232 32.211 1.00 50.70 C ATOM 369 CD GLU A 22 -16.538 3.799 32.561 1.00 50.70 C ATOM 370 OE1 GLU A 22 -17.018 4.513 31.603 1.00 50.70 O ATOM 371 OE2 GLU A 22 -17.066 3.671 33.640 1.00 50.70 O ATOM 372 HA GLU A 22 -16.360 3.525 29.805 1.00 0.00 H ATOM 373 HB2 GLU A 22 -16.112 1.494 31.382 1.00 0.00 H ATOM 374 HB3 GLU A 22 -14.357 1.626 31.118 1.00 0.00 H ATOM 375 HG2 GLU A 22 -14.779 2.789 33.106 1.00 0.00 H ATOM 376 HG3 GLU A 22 -14.574 4.038 31.856 1.00 0.00 H ATOM 377 H GLU A 22 -16.015 0.761 29.334 1.00 0.00 H ATOM 378 N VAL A 23 -13.177 3.021 28.958 1.00 41.27 N ATOM 379 CA VAL A 23 -11.956 3.664 28.457 1.00 41.27 C ATOM 380 C VAL A 23 -12.314 4.503 27.298 1.00 41.27 C ATOM 381 O VAL A 23 -11.966 5.663 27.296 1.00 32.45 O ATOM 382 CB VAL A 23 -10.825 2.689 28.073 1.00 32.45 C ATOM 383 CG1 VAL A 23 -9.984 3.163 26.924 1.00 32.45 C ATOM 384 CG2 VAL A 23 -9.884 2.526 29.234 1.00 32.45 C ATOM 385 HA VAL A 23 -11.553 4.257 29.278 1.00 0.00 H ATOM 386 HB VAL A 23 -11.325 1.762 27.791 1.00 0.00 H ATOM 387 HG11 VAL A 23 -10.614 3.293 26.044 1.00 0.00 H ATOM 388 HG12 VAL A 23 -9.519 4.114 27.184 1.00 0.00 H ATOM 389 HG13 VAL A 23 -9.210 2.425 26.713 1.00 0.00 H ATOM 390 HG21 VAL A 23 -9.456 3.495 29.492 1.00 0.00 H ATOM 391 HG22 VAL A 23 -10.430 2.129 30.090 1.00 0.00 H ATOM 392 HG23 VAL A 23 -9.086 1.836 28.959 1.00 0.00 H ATOM 393 H VAL A 23 -13.149 1.990 29.092 1.00 0.00 H ATOM 394 N ALA A 24 -13.033 3.908 26.355 1.00 29.90 N ATOM 395 CA ALA A 24 -13.467 4.576 25.134 1.00 29.90 C ATOM 396 C ALA A 24 -14.236 5.926 25.356 1.00 29.90 C ATOM 397 O ALA A 24 -14.020 6.901 24.578 1.00 29.84 O ATOM 398 CB ALA A 24 -14.204 3.594 24.209 1.00 29.84 C ATOM 399 HA ALA A 24 -12.559 4.896 24.624 1.00 0.00 H ATOM 400 HB1 ALA A 24 -13.535 2.775 23.944 1.00 0.00 H ATOM 401 HB2 ALA A 24 -15.079 3.198 24.725 1.00 0.00 H ATOM 402 HB3 ALA A 24 -14.518 4.115 23.305 1.00 0.00 H ATOM 403 H ALA A 24 -13.301 2.913 26.494 1.00 0.00 H ATOM 404 N ARG A 25 -15.137 5.919 26.404 1.00 19.48 N ATOM 405 CA ARG A 25 -15.990 7.025 26.857 1.00 19.48 C ATOM 406 C ARG A 25 -14.968 8.137 27.201 1.00 19.48 C ATOM 407 O ARG A 25 -14.870 9.102 26.446 1.00 76.08 O ATOM 408 CB ARG A 25 -16.840 6.624 28.048 1.00 76.08 C ATOM 409 CG ARG A 25 -18.201 7.285 28.065 1.00 76.08 C ATOM 410 CD ARG A 25 -18.640 7.766 29.470 1.00 76.08 C ATOM 411 NE ARG A 25 -19.681 8.837 29.453 1.00 76.08 N ATOM 412 CZ ARG A 25 -19.803 9.895 30.296 1.00 76.08 C ATOM 413 NH1 ARG A 25 -18.977 10.113 31.323 1.00 76.08 N ATOM 414 NH2 ARG A 25 -20.787 10.780 30.090 1.00 76.08 N ATOM 415 HA ARG A 25 -16.717 7.345 26.111 1.00 0.00 H ATOM 416 HB2 ARG A 25 -16.981 5.543 28.024 1.00 0.00 H ATOM 417 HB3 ARG A 25 -16.310 6.900 28.960 1.00 0.00 H ATOM 418 HG2 ARG A 25 -18.174 8.147 27.398 1.00 0.00 H ATOM 419 HG3 ARG A 25 -18.937 6.568 27.700 1.00 0.00 H ATOM 420 HD2 ARG A 25 -17.762 8.150 29.990 1.00 0.00 H ATOM 421 HD3 ARG A 25 -19.038 6.910 30.016 1.00 0.00 H ATOM 422 HE ARG A 25 -20.400 8.764 28.705 1.00 0.00 H ATOM 423 HH12 ARG A 25 -19.118 10.941 31.937 1.00 0.00 H ATOM 424 HH11 ARG A 25 -18.193 9.455 31.509 1.00 0.00 H ATOM 425 HH22 ARG A 25 -20.894 11.596 30.726 1.00 0.00 H ATOM 426 HH21 ARG A 25 -21.444 10.652 29.294 1.00 0.00 H ATOM 427 H ARG A 25 -15.220 5.027 26.933 1.00 0.00 H ATOM 428 N LEU A 26 -14.156 7.930 28.272 1.00 20.62 N ATOM 429 CA LEU A 26 -13.012 8.729 28.706 1.00 20.62 C ATOM 430 C LEU A 26 -12.150 9.250 27.550 1.00 20.62 C ATOM 431 O LEU A 26 -11.738 10.388 27.426 1.00 20.57 O ATOM 432 CB LEU A 26 -12.106 7.700 29.333 1.00 20.57 C ATOM 433 CG LEU A 26 -12.237 7.650 30.832 1.00 20.57 C ATOM 434 CD1 LEU A 26 -10.996 6.934 31.442 1.00 20.57 C ATOM 435 CD2 LEU A 26 -12.360 9.089 31.310 1.00 20.57 C ATOM 436 HA LEU A 26 -13.370 9.567 29.304 1.00 0.00 H ATOM 437 HB2 LEU A 26 -12.357 6.720 28.927 1.00 0.00 H ATOM 438 HB3 LEU A 26 -11.074 7.943 29.080 1.00 0.00 H ATOM 439 HG LEU A 26 -13.113 7.084 31.148 1.00 0.00 H ATOM 440 HD21 LEU A 26 -11.470 9.645 31.017 1.00 0.00 H ATOM 441 HD22 LEU A 26 -13.241 9.546 30.859 1.00 0.00 H ATOM 442 HD23 LEU A 26 -12.458 9.103 32.396 1.00 0.00 H ATOM 443 HD11 LEU A 26 -10.934 5.919 31.049 1.00 0.00 H ATOM 444 HD12 LEU A 26 -10.093 7.484 31.175 1.00 0.00 H ATOM 445 HD13 LEU A 26 -11.095 6.900 32.527 1.00 0.00 H ATOM 446 H LEU A 26 -14.377 7.098 28.856 1.00 0.00 H ATOM 447 N LYS A 27 -11.802 8.344 26.659 1.00 17.44 N ATOM 448 CA LYS A 27 -10.977 8.806 25.622 1.00 17.44 C ATOM 449 C LYS A 27 -11.768 9.849 24.894 1.00 17.44 C ATOM 450 O LYS A 27 -11.292 10.925 24.671 1.00 28.03 O ATOM 451 CB LYS A 27 -10.457 7.653 24.782 1.00 28.03 C ATOM 452 CG LYS A 27 -9.184 6.999 25.336 1.00 28.03 C ATOM 453 CD LYS A 27 -8.439 6.190 24.322 1.00 28.03 C ATOM 454 CE LYS A 27 -9.416 5.521 23.379 1.00 28.03 C ATOM 455 NZ LYS A 27 -8.866 5.272 22.052 1.00 28.03 N ATOM 456 HA LYS A 27 -10.058 9.272 25.979 1.00 0.00 H ATOM 457 HB2 LYS A 27 -11.236 6.893 24.724 1.00 0.00 H ATOM 458 HB3 LYS A 27 -10.242 8.028 23.781 1.00 0.00 H ATOM 459 HG2 LYS A 27 -8.524 7.785 25.703 1.00 0.00 H ATOM 460 HG3 LYS A 27 -9.463 6.345 26.162 1.00 0.00 H ATOM 461 HD2 LYS A 27 -7.777 6.843 23.754 1.00 0.00 H ATOM 462 HD3 LYS A 27 -7.848 5.429 24.830 1.00 0.00 H ATOM 463 HE2 LYS A 27 -10.291 6.163 23.275 1.00 0.00 H ATOM 464 HE3 LYS A 27 -9.716 4.567 23.813 1.00 0.00 H ATOM 465 HZ1 LYS A 27 -8.584 6.175 21.620 1.00 0.00 H ATOM 466 HZ2 LYS A 27 -8.036 4.651 22.133 1.00 0.00 H ATOM 467 HZ3 LYS A 27 -9.587 4.813 21.460 1.00 0.00 H ATOM 468 H LYS A 27 -12.117 7.355 26.720 1.00 0.00 H ATOM 469 N LYS A 28 -13.001 9.565 24.527 1.00 41.25 N ATOM 470 CA LYS A 28 -13.841 10.562 23.860 1.00 41.25 C ATOM 471 C LYS A 28 -13.991 11.903 24.621 1.00 41.25 C ATOM 472 O LYS A 28 -13.971 12.976 24.001 1.00 82.55 O ATOM 473 CB LYS A 28 -15.223 9.982 23.582 1.00 82.55 C ATOM 474 CG LYS A 28 -15.351 9.281 22.236 1.00 82.55 C ATOM 475 CD LYS A 28 -16.693 8.578 22.095 1.00 82.55 C ATOM 476 CE LYS A 28 -17.385 8.393 23.447 1.00 82.55 C ATOM 477 NZ LYS A 28 -18.628 7.590 23.388 1.00 82.55 N ATOM 478 HA LYS A 28 -13.320 10.799 22.933 1.00 0.00 H ATOM 479 HB2 LYS A 28 -15.455 9.261 24.366 1.00 0.00 H ATOM 480 HB3 LYS A 28 -15.947 10.796 23.613 1.00 0.00 H ATOM 481 HG2 LYS A 28 -15.254 10.021 21.441 1.00 0.00 H ATOM 482 HG3 LYS A 28 -14.554 8.543 22.144 1.00 0.00 H ATOM 483 HD2 LYS A 28 -17.337 9.174 21.448 1.00 0.00 H ATOM 484 HD3 LYS A 28 -16.533 7.599 21.644 1.00 0.00 H ATOM 485 HE2 LYS A 28 -17.633 9.378 23.842 1.00 0.00 H ATOM 486 HE3 LYS A 28 -16.689 7.896 24.123 1.00 0.00 H ATOM 487 HZ1 LYS A 28 -19.310 8.056 22.756 1.00 0.00 H ATOM 488 HZ2 LYS A 28 -18.409 6.641 23.024 1.00 0.00 H ATOM 489 HZ3 LYS A 28 -19.034 7.512 24.342 1.00 0.00 H ATOM 490 H LYS A 28 -13.384 8.617 24.714 1.00 0.00 H ATOM 491 N LEU A 29 -14.184 11.859 25.972 1.00 41.97 N ATOM 492 CA LEU A 29 -14.374 13.040 26.829 1.00 41.97 C ATOM 493 C LEU A 29 -13.096 13.711 27.251 1.00 41.97 C ATOM 494 O LEU A 29 -13.022 14.329 28.327 1.00 20.38 O ATOM 495 CB LEU A 29 -14.984 12.732 28.199 1.00 20.38 C ATOM 496 CG LEU A 29 -16.309 12.024 28.281 1.00 20.38 C ATOM 497 CD1 LEU A 29 -16.571 11.972 29.785 1.00 20.38 C ATOM 498 CD2 LEU A 29 -17.462 12.700 27.485 1.00 20.38 C ATOM 499 HA LEU A 29 -15.007 13.648 26.182 1.00 0.00 H ATOM 500 HB2 LEU A 29 -14.262 12.116 28.736 1.00 0.00 H ATOM 501 HB3 LEU A 29 -15.102 13.685 28.715 1.00 0.00 H ATOM 502 HG LEU A 29 -16.273 11.042 27.809 1.00 0.00 H ATOM 503 HD21 LEU A 29 -17.621 13.709 27.865 1.00 0.00 H ATOM 504 HD22 LEU A 29 -17.195 12.746 26.429 1.00 0.00 H ATOM 505 HD23 LEU A 29 -18.375 12.117 27.605 1.00 0.00 H ATOM 506 HD11 LEU A 29 -15.768 11.421 30.274 1.00 0.00 H ATOM 507 HD12 LEU A 29 -16.610 12.987 30.181 1.00 0.00 H ATOM 508 HD13 LEU A 29 -17.522 11.472 29.970 1.00 0.00 H ATOM 509 H LEU A 29 -14.198 10.924 26.428 1.00 0.00 H ATOM 510 N VAL A 30 -12.073 13.536 26.486 1.00 24.19 N ATOM 511 CA VAL A 30 -10.820 14.091 26.843 1.00 24.19 C ATOM 512 C VAL A 30 -10.082 14.318 25.521 1.00 24.19 C ATOM 513 O VAL A 30 -8.967 14.841 25.473 1.00 37.20 O ATOM 514 CB VAL A 30 -10.150 13.266 27.968 1.00 37.20 C ATOM 515 CG1 VAL A 30 -8.626 13.078 27.869 1.00 37.20 C ATOM 516 CG2 VAL A 30 -10.483 13.838 29.339 1.00 37.20 C ATOM 517 HA VAL A 30 -10.858 15.065 27.330 1.00 0.00 H ATOM 518 HB VAL A 30 -10.578 12.273 27.830 1.00 0.00 H ATOM 519 HG11 VAL A 30 -8.384 12.564 26.939 1.00 0.00 H ATOM 520 HG12 VAL A 30 -8.139 14.053 27.884 1.00 0.00 H ATOM 521 HG13 VAL A 30 -8.279 12.484 28.714 1.00 0.00 H ATOM 522 HG21 VAL A 30 -10.125 14.866 29.399 1.00 0.00 H ATOM 523 HG22 VAL A 30 -11.563 13.818 29.487 1.00 0.00 H ATOM 524 HG23 VAL A 30 -9.999 13.238 30.109 1.00 0.00 H ATOM 525 H VAL A 30 -12.168 12.988 25.607 1.00 0.00 H ATOM 526 N GLY A 31 -10.813 14.040 24.431 1.00 16.14 N ATOM 527 CA GLY A 31 -10.349 14.230 23.064 1.00 16.14 C ATOM 528 C GLY A 31 -8.940 13.700 22.853 1.00 16.14 C ATOM 529 O GLY A 31 -8.664 12.494 22.999 1.00 95.76 O ATOM 530 HA3 GLY A 31 -10.361 15.296 22.835 1.00 0.00 H ATOM 531 HA2 GLY A 31 -11.025 13.707 22.388 1.00 0.00 H ATOM 532 H GLY A 31 -11.773 13.665 24.571 1.00 0.00 H TER 533 GLY A 31 ATOM 534 N ARG B 1 -2.449 -28.923 31.345 1.00 45.48 N ATOM 535 CA ARG B 1 -3.346 -28.257 30.406 1.00 45.48 C ATOM 536 C ARG B 1 -4.302 -27.371 31.161 1.00 45.48 C ATOM 537 O ARG B 1 -4.434 -26.177 30.850 1.00 70.46 O ATOM 538 CB ARG B 1 -4.097 -29.186 29.423 1.00 70.46 C ATOM 539 CG ARG B 1 -3.580 -29.086 27.970 1.00 70.46 C ATOM 540 CD ARG B 1 -4.641 -29.207 26.856 1.00 70.46 C ATOM 541 NE ARG B 1 -4.293 -28.514 25.594 1.00 70.46 N ATOM 542 CZ ARG B 1 -4.970 -28.555 24.429 1.00 70.46 C ATOM 543 NH1 ARG B 1 -6.073 -29.276 24.234 1.00 70.46 N ATOM 544 NH2 ARG B 1 -4.526 -27.836 23.406 1.00 70.46 N ATOM 545 HA ARG B 1 -2.703 -27.661 29.758 1.00 0.00 H ATOM 546 HB2 ARG B 1 -3.980 -30.215 29.762 1.00 0.00 H ATOM 547 HB3 ARG B 1 -5.154 -28.919 29.433 1.00 0.00 H ATOM 548 HG2 ARG B 1 -3.089 -28.119 27.858 1.00 0.00 H ATOM 549 HG3 ARG B 1 -2.850 -29.882 27.822 1.00 0.00 H ATOM 550 HD2 ARG B 1 -5.575 -28.786 27.229 1.00 0.00 H ATOM 551 HD3 ARG B 1 -4.783 -30.265 26.635 1.00 0.00 H ATOM 552 HE ARG B 1 -3.431 -27.932 25.608 1.00 0.00 H ATOM 553 HH12 ARG B 1 -6.546 -29.262 23.308 1.00 0.00 H ATOM 554 HH11 ARG B 1 -6.461 -29.853 25.008 1.00 0.00 H ATOM 555 HH22 ARG B 1 -5.034 -27.854 22.499 1.00 0.00 H ATOM 556 HH21 ARG B 1 -3.670 -27.255 23.512 1.00 0.00 H ATOM 557 HN3 ARG B 1 -3.007 -29.500 32.006 1.00 0.00 H ATOM 558 HN2 ARG B 1 -1.912 -28.208 31.876 1.00 0.00 H ATOM 559 HN1 ARG B 1 -1.791 -29.534 30.820 1.00 0.00 H ATOM 560 N MET B 2 -4.970 -27.979 32.156 1.00 29.18 N ATOM 561 CA MET B 2 -5.934 -27.209 32.919 1.00 29.18 C ATOM 562 C MET B 2 -5.263 -26.217 33.838 1.00 29.18 C ATOM 563 O MET B 2 -5.620 -25.026 33.843 1.00 62.87 O ATOM 564 CB MET B 2 -6.978 -28.025 33.692 1.00 62.87 C ATOM 565 CG MET B 2 -8.231 -28.268 32.890 1.00 62.87 C ATOM 566 SD MET B 2 -8.032 -29.832 32.037 1.00 62.87 S ATOM 567 CE MET B 2 -8.116 -29.315 30.279 1.00 62.87 C ATOM 568 HA MET B 2 -6.495 -26.678 32.150 1.00 0.00 H ATOM 569 HB2 MET B 2 -6.542 -28.987 33.959 1.00 0.00 H ATOM 570 HB3 MET B 2 -7.243 -27.483 34.600 1.00 0.00 H ATOM 571 HG2 MET B 2 -8.372 -27.465 32.167 1.00 0.00 H ATOM 572 HG3 MET B 2 -9.095 -28.313 33.553 1.00 0.00 H ATOM 573 HE1 MET B 2 -9.078 -28.841 30.087 1.00 0.00 H ATOM 574 HE2 MET B 2 -7.313 -28.608 30.071 1.00 0.00 H ATOM 575 HE3 MET B 2 -8.006 -30.190 29.639 1.00 0.00 H ATOM 576 H MET B 2 -4.799 -28.981 32.375 1.00 0.00 H ATOM 577 N LYS B 3 -4.304 -26.714 34.628 1.00 37.95 N ATOM 578 CA LYS B 3 -3.714 -25.812 35.571 1.00 37.95 C ATOM 579 C LYS B 3 -3.403 -24.506 34.857 1.00 37.95 C ATOM 580 O LYS B 3 -3.846 -23.410 35.252 1.00 72.13 O ATOM 581 CB LYS B 3 -2.601 -26.398 36.414 1.00 72.13 C ATOM 582 CG LYS B 3 -2.685 -25.921 37.866 1.00 53.04 C ATOM 583 CD LYS B 3 -2.176 -26.940 38.895 1.00 53.04 C ATOM 584 CE LYS B 3 -2.231 -26.436 40.339 1.00 53.04 C ATOM 585 NZ LYS B 3 -3.347 -26.996 41.136 1.00 53.04 N ATOM 586 HA LYS B 3 -4.439 -25.595 36.356 1.00 0.00 H ATOM 587 HB2 LYS B 3 -2.676 -27.485 36.393 1.00 0.00 H ATOM 588 HB3 LYS B 3 -1.642 -26.093 35.996 1.00 0.00 H ATOM 589 HG2 LYS B 3 -2.091 -25.012 37.962 1.00 0.00 H ATOM 590 HG3 LYS B 3 -3.728 -25.698 38.093 1.00 0.00 H ATOM 591 HD2 LYS B 3 -2.787 -27.839 38.821 1.00 0.00 H ATOM 592 HD3 LYS B 3 -1.141 -27.185 38.655 1.00 0.00 H ATOM 593 HE2 LYS B 3 -2.336 -25.351 40.319 1.00 0.00 H ATOM 594 HE3 LYS B 3 -1.294 -26.700 40.829 1.00 0.00 H ATOM 595 HZ1 LYS B 3 -4.251 -26.743 40.689 1.00 0.00 H ATOM 596 HZ2 LYS B 3 -3.257 -28.031 41.177 1.00 0.00 H ATOM 597 HZ3 LYS B 3 -3.313 -26.606 42.099 1.00 0.00 H ATOM 598 H LYS B 3 -4.002 -27.707 34.560 1.00 0.00 H ATOM 599 N GLN B 4 -2.660 -24.684 33.740 1.00 96.92 N ATOM 600 CA GLN B 4 -2.233 -23.605 32.853 1.00 96.92 C ATOM 601 C GLN B 4 -3.394 -22.667 32.604 1.00 96.92 C ATOM 602 O GLN B 4 -3.320 -21.462 32.862 1.00 46.77 O ATOM 603 CB GLN B 4 -1.625 -24.152 31.537 1.00 46.77 C ATOM 604 CG GLN B 4 -2.005 -23.439 30.191 1.00 46.77 C ATOM 605 CD GLN B 4 -2.675 -24.276 29.066 1.00 46.77 C ATOM 606 OE1 GLN B 4 -3.831 -24.076 28.708 1.00 46.77 O ATOM 607 NE2 GLN B 4 -1.979 -25.195 28.433 1.00 46.77 N ATOM 608 HA GLN B 4 -1.436 -23.041 33.339 1.00 0.00 H ATOM 609 HB2 GLN B 4 -0.541 -24.100 31.636 1.00 0.00 H ATOM 610 HB3 GLN B 4 -1.931 -25.194 31.448 1.00 0.00 H ATOM 611 HG2 GLN B 4 -2.690 -22.628 30.439 1.00 0.00 H ATOM 612 HG3 GLN B 4 -1.086 -23.023 29.778 1.00 0.00 H ATOM 613 HE22 GLN B 4 -0.996 -25.388 28.713 1.00 0.00 H ATOM 614 HE21 GLN B 4 -2.411 -25.729 27.652 1.00 0.00 H ATOM 615 H GLN B 4 -2.374 -25.654 33.497 1.00 0.00 H ATOM 616 N LEU B 5 -4.500 -23.241 32.145 1.00 41.04 N ATOM 617 CA LEU B 5 -5.650 -22.421 31.887 1.00 41.04 C ATOM 618 C LEU B 5 -6.150 -21.735 33.134 1.00 41.04 C ATOM 619 O LEU B 5 -6.769 -20.670 33.049 1.00 73.74 O ATOM 620 CB LEU B 5 -6.746 -23.044 30.996 1.00 73.74 C ATOM 621 CG LEU B 5 -6.901 -22.271 29.671 1.00 73.74 C ATOM 622 CD1 LEU B 5 -6.654 -23.143 28.431 1.00 73.74 C ATOM 623 CD2 LEU B 5 -8.272 -21.618 29.605 1.00 73.74 C ATOM 624 HA LEU B 5 -5.284 -21.629 31.233 1.00 0.00 H ATOM 625 HB2 LEU B 5 -6.479 -24.077 30.775 1.00 0.00 H ATOM 626 HB3 LEU B 5 -7.695 -23.022 31.533 1.00 0.00 H ATOM 627 HG LEU B 5 -6.130 -21.501 29.661 1.00 0.00 H ATOM 628 HD21 LEU B 5 -9.042 -22.387 29.664 1.00 0.00 H ATOM 629 HD22 LEU B 5 -8.384 -20.925 30.439 1.00 0.00 H ATOM 630 HD23 LEU B 5 -8.370 -21.075 28.665 1.00 0.00 H ATOM 631 HD11 LEU B 5 -5.640 -23.541 28.465 1.00 0.00 H ATOM 632 HD12 LEU B 5 -7.369 -23.966 28.419 1.00 0.00 H ATOM 633 HD13 LEU B 5 -6.779 -22.539 27.533 1.00 0.00 H ATOM 634 H LEU B 5 -4.533 -24.267 31.975 1.00 0.00 H ATOM 635 N GLU B 6 -5.829 -22.307 34.287 1.00 49.42 N ATOM 636 CA GLU B 6 -6.227 -21.655 35.517 1.00 49.42 C ATOM 637 C GLU B 6 -5.111 -20.773 36.126 1.00 49.42 C ATOM 638 O GLU B 6 -5.318 -19.986 37.072 1.00 78.55 O ATOM 639 CB GLU B 6 -6.933 -22.584 36.496 1.00 78.55 C ATOM 640 CG GLU B 6 -7.293 -23.930 35.860 1.00 78.55 C ATOM 641 CD GLU B 6 -7.563 -24.926 36.940 1.00 78.55 C ATOM 642 OE1 GLU B 6 -7.181 -24.463 38.104 1.00 78.55 O ATOM 643 OE2 GLU B 6 -8.096 -26.008 36.765 1.00 78.55 O ATOM 644 HA GLU B 6 -7.004 -20.940 35.245 1.00 0.00 H ATOM 645 HB2 GLU B 6 -6.276 -22.762 37.347 1.00 0.00 H ATOM 646 HB3 GLU B 6 -7.848 -22.102 36.840 1.00 0.00 H ATOM 647 HG2 GLU B 6 -8.182 -23.814 35.239 1.00 0.00 H ATOM 648 HG3 GLU B 6 -6.463 -24.276 35.243 1.00 0.00 H ATOM 649 H GLU B 6 -5.303 -23.204 34.307 1.00 0.00 H ATOM 650 N ASP B 7 -3.907 -20.889 35.535 1.00 52.67 N ATOM 651 CA ASP B 7 -2.811 -20.016 35.903 1.00 52.67 C ATOM 652 C ASP B 7 -3.231 -18.662 35.361 1.00 52.67 C ATOM 653 O ASP B 7 -3.587 -17.739 36.090 1.00 61.36 O ATOM 654 CB ASP B 7 -1.489 -20.473 35.241 1.00 61.36 C ATOM 655 CG ASP B 7 -0.557 -21.143 36.222 1.00 61.36 C ATOM 656 OD1 ASP B 7 -0.910 -21.681 37.274 1.00 61.36 O ATOM 657 OD2 ASP B 7 0.691 -21.059 35.839 1.00 61.36 O ATOM 658 HA ASP B 7 -2.626 -20.010 36.977 1.00 0.00 H ATOM 659 HB2 ASP B 7 -1.722 -21.177 34.442 1.00 0.00 H ATOM 660 HB3 ASP B 7 -0.988 -19.601 34.821 1.00 0.00 H ATOM 661 H ASP B 7 -3.762 -21.615 34.805 1.00 0.00 H ATOM 662 N LYS B 8 -3.235 -18.668 34.028 1.00 24.45 N ATOM 663 CA LYS B 8 -3.687 -17.658 33.056 1.00 24.45 C ATOM 664 C LYS B 8 -4.870 -16.777 33.518 1.00 24.45 C ATOM 665 O LYS B 8 -4.813 -15.556 33.615 1.00 47.41 O ATOM 666 CB LYS B 8 -4.100 -18.394 31.761 1.00 47.41 C ATOM 667 CG LYS B 8 -3.418 -17.846 30.539 1.00 47.41 C ATOM 668 CD LYS B 8 -2.174 -17.024 30.897 1.00 47.41 C ATOM 669 CE LYS B 8 -2.301 -15.505 30.612 1.00 47.41 C ATOM 670 NZ LYS B 8 -1.097 -14.715 30.965 1.00 47.41 N ATOM 671 HA LYS B 8 -2.849 -16.975 32.916 1.00 0.00 H ATOM 672 HB2 LYS B 8 -3.842 -19.448 31.861 1.00 0.00 H ATOM 673 HB3 LYS B 8 -5.178 -18.296 31.633 1.00 0.00 H ATOM 674 HG2 LYS B 8 -3.120 -18.677 29.900 1.00 0.00 H ATOM 675 HG3 LYS B 8 -4.119 -17.208 30.000 1.00 0.00 H ATOM 676 HD2 LYS B 8 -1.974 -17.155 31.960 1.00 0.00 H ATOM 677 HD3 LYS B 8 -1.334 -17.410 30.320 1.00 0.00 H ATOM 678 HE2 LYS B 8 -3.143 -15.119 31.186 1.00 0.00 H ATOM 679 HE3 LYS B 8 -2.497 -15.372 29.548 1.00 0.00 H ATOM 680 HZ1 LYS B 8 -0.901 -14.819 31.981 1.00 0.00 H ATOM 681 HZ2 LYS B 8 -0.284 -15.061 30.417 1.00 0.00 H ATOM 682 HZ3 LYS B 8 -1.264 -13.713 30.744 1.00 0.00 H ATOM 683 H LYS B 8 -2.853 -19.536 33.601 1.00 0.00 H ATOM 684 N VAL B 9 -5.953 -17.495 33.706 1.00 37.25 N ATOM 685 CA VAL B 9 -7.214 -17.025 34.163 1.00 37.25 C ATOM 686 C VAL B 9 -7.091 -16.387 35.529 1.00 37.25 C ATOM 687 O VAL B 9 -7.644 -15.308 35.722 1.00 26.15 O ATOM 688 CB VAL B 9 -8.329 -18.078 34.029 1.00 26.15 C ATOM 689 CG1 VAL B 9 -9.506 -17.737 34.937 1.00 26.15 C ATOM 690 CG2 VAL B 9 -8.794 -18.254 32.573 1.00 26.15 C ATOM 691 HA VAL B 9 -7.543 -16.227 33.497 1.00 0.00 H ATOM 692 HB VAL B 9 -7.908 -19.032 34.347 1.00 0.00 H ATOM 693 HG11 VAL B 9 -9.168 -17.711 35.973 1.00 0.00 H ATOM 694 HG12 VAL B 9 -9.907 -16.762 34.660 1.00 0.00 H ATOM 695 HG13 VAL B 9 -10.281 -18.495 34.825 1.00 0.00 H ATOM 696 HG21 VAL B 9 -9.178 -17.305 32.198 1.00 0.00 H ATOM 697 HG22 VAL B 9 -7.951 -18.574 31.960 1.00 0.00 H ATOM 698 HG23 VAL B 9 -9.581 -19.007 32.533 1.00 0.00 H ATOM 699 H VAL B 9 -5.881 -18.512 33.499 1.00 0.00 H ATOM 700 N GLU B 10 -6.320 -16.932 36.449 1.00 58.13 N ATOM 701 CA GLU B 10 -6.177 -16.232 37.732 1.00 58.13 C ATOM 702 C GLU B 10 -5.457 -14.853 37.661 1.00 58.13 C ATOM 703 O GLU B 10 -5.947 -13.819 38.180 1.00 55.57 O ATOM 704 CB GLU B 10 -5.596 -17.091 38.856 1.00 55.57 C ATOM 705 CG GLU B 10 -6.037 -16.478 40.184 1.00 55.57 C ATOM 706 CD GLU B 10 -7.531 -16.562 40.374 1.00 55.57 C ATOM 707 OE1 GLU B 10 -8.275 -17.096 39.575 1.00 55.57 O ATOM 708 OE2 GLU B 10 -7.949 -16.049 41.509 1.00 55.57 O ATOM 709 HA GLU B 10 -7.215 -16.019 37.989 1.00 0.00 H ATOM 710 HB2 GLU B 10 -5.970 -18.111 38.775 1.00 0.00 H ATOM 711 HB3 GLU B 10 -4.508 -17.099 38.793 1.00 0.00 H ATOM 712 HG2 GLU B 10 -5.547 -17.012 40.999 1.00 0.00 H ATOM 713 HG3 GLU B 10 -5.737 -15.430 40.206 1.00 0.00 H ATOM 714 H GLU B 10 -5.828 -17.831 36.271 1.00 0.00 H ATOM 715 N GLU B 11 -4.263 -14.869 37.030 1.00 63.77 N ATOM 716 CA GLU B 11 -3.464 -13.682 36.812 1.00 63.77 C ATOM 717 C GLU B 11 -4.401 -12.591 36.309 1.00 63.77 C ATOM 718 O GLU B 11 -4.547 -11.560 36.975 1.00 34.97 O ATOM 719 CB GLU B 11 -2.224 -13.927 35.891 1.00 34.97 C ATOM 720 CG GLU B 11 -2.489 -13.881 34.366 1.00 34.97 C ATOM 721 CD GLU B 11 -1.217 -13.645 33.549 1.00 34.97 C ATOM 722 OE1 GLU B 11 -0.346 -14.490 33.473 1.00 34.97 O ATOM 723 OE2 GLU B 11 -1.090 -12.488 32.915 1.00 34.97 O ATOM 724 HA GLU B 11 -3.008 -13.364 37.749 1.00 0.00 H ATOM 725 HB2 GLU B 11 -1.480 -13.165 36.123 1.00 0.00 H ATOM 726 HB3 GLU B 11 -1.821 -14.911 36.130 1.00 0.00 H ATOM 727 HG2 GLU B 11 -2.928 -14.830 34.060 1.00 0.00 H ATOM 728 HG3 GLU B 11 -3.191 -13.073 34.159 1.00 0.00 H ATOM 729 H GLU B 11 -3.900 -15.780 36.683 1.00 0.00 H ATOM 730 N LEU B 12 -5.056 -12.875 35.147 1.00 27.92 N ATOM 731 CA LEU B 12 -6.052 -12.038 34.475 1.00 27.92 C ATOM 732 C LEU B 12 -7.121 -11.637 35.447 1.00 27.92 C ATOM 733 O LEU B 12 -7.839 -10.713 35.277 1.00 19.10 O ATOM 734 CB LEU B 12 -6.806 -12.781 33.368 1.00 19.10 C ATOM 735 CG LEU B 12 -5.980 -13.211 32.174 1.00 19.10 C ATOM 736 CD1 LEU B 12 -6.852 -13.980 31.199 1.00 19.10 C ATOM 737 CD2 LEU B 12 -5.570 -12.002 31.399 1.00 19.10 C ATOM 738 HA LEU B 12 -5.493 -11.197 34.065 1.00 0.00 H ATOM 739 HB2 LEU B 12 -7.248 -13.675 33.808 1.00 0.00 H ATOM 740 HB3 LEU B 12 -7.599 -12.126 33.007 1.00 0.00 H ATOM 741 HG LEU B 12 -5.138 -13.795 32.545 1.00 0.00 H ATOM 742 HD21 LEU B 12 -6.459 -11.472 31.058 1.00 0.00 H ATOM 743 HD22 LEU B 12 -4.978 -11.346 32.037 1.00 0.00 H ATOM 744 HD23 LEU B 12 -4.975 -12.308 30.539 1.00 0.00 H ATOM 745 HD11 LEU B 12 -7.258 -14.862 31.694 1.00 0.00 H ATOM 746 HD12 LEU B 12 -7.669 -13.342 30.863 1.00 0.00 H ATOM 747 HD13 LEU B 12 -6.253 -14.287 30.342 1.00 0.00 H ATOM 748 H LEU B 12 -4.824 -13.780 34.691 1.00 0.00 H ATOM 749 N LEU B 13 -7.352 -12.339 36.484 1.00 37.20 N ATOM 750 CA LEU B 13 -8.423 -11.804 37.232 1.00 37.20 C ATOM 751 C LEU B 13 -7.856 -10.718 38.112 1.00 37.20 C ATOM 752 O LEU B 13 -8.576 -9.821 38.562 1.00 51.78 O ATOM 753 CB LEU B 13 -9.107 -12.924 37.986 1.00 51.78 C ATOM 754 CG LEU B 13 -10.578 -12.685 38.204 1.00 51.78 C ATOM 755 CD1 LEU B 13 -11.342 -13.235 37.019 1.00 51.78 C ATOM 756 CD2 LEU B 13 -10.997 -13.378 39.510 1.00 51.78 C ATOM 757 HA LEU B 13 -9.195 -11.353 36.608 1.00 0.00 H ATOM 758 HB2 LEU B 13 -8.987 -13.847 37.419 1.00 0.00 H ATOM 759 HB3 LEU B 13 -8.626 -13.031 38.958 1.00 0.00 H ATOM 760 HG LEU B 13 -10.796 -11.620 38.289 1.00 0.00 H ATOM 761 HD21 LEU B 13 -10.801 -14.447 39.431 1.00 0.00 H ATOM 762 HD22 LEU B 13 -10.425 -12.963 40.340 1.00 0.00 H ATOM 763 HD23 LEU B 13 -12.061 -13.214 39.682 1.00 0.00 H ATOM 764 HD11 LEU B 13 -11.015 -12.728 36.111 1.00 0.00 H ATOM 765 HD12 LEU B 13 -11.150 -14.304 36.929 1.00 0.00 H ATOM 766 HD13 LEU B 13 -12.409 -13.067 37.167 1.00 0.00 H ATOM 767 H LEU B 13 -6.821 -13.194 36.746 1.00 0.00 H ATOM 768 N SER B 14 -6.545 -10.747 38.343 1.00 48.52 N ATOM 769 CA SER B 14 -5.940 -9.685 39.146 1.00 48.52 C ATOM 770 C SER B 14 -5.509 -8.390 38.361 1.00 48.52 C ATOM 771 O SER B 14 -5.517 -7.300 38.960 1.00 51.08 O ATOM 772 CB SER B 14 -4.872 -10.195 40.065 1.00 51.08 C ATOM 773 OG SER B 14 -3.660 -10.062 39.352 1.00 51.08 O ATOM 774 HA SER B 14 -6.762 -9.335 39.770 1.00 0.00 H ATOM 775 HB2 SER B 14 -5.053 -11.240 40.316 1.00 0.00 H ATOM 776 HB3 SER B 14 -4.842 -9.603 40.980 1.00 0.00 H ATOM 777 HG SER B 14 -3.707 -10.598 38.521 1.00 0.00 H ATOM 778 H SER B 14 -5.959 -11.515 37.957 1.00 0.00 H ATOM 779 N LYS B 15 -5.079 -8.496 37.065 1.00 26.29 N ATOM 780 CA LYS B 15 -4.822 -7.386 36.171 1.00 26.29 C ATOM 781 C LYS B 15 -6.184 -6.744 36.095 1.00 26.29 C ATOM 782 O LYS B 15 -6.357 -5.598 36.514 1.00 28.84 O ATOM 783 CB LYS B 15 -4.555 -7.782 34.729 1.00 28.84 C ATOM 784 CG LYS B 15 -3.280 -8.557 34.509 1.00 28.84 C ATOM 785 CD LYS B 15 -3.111 -9.085 33.092 1.00 28.84 C ATOM 786 CE LYS B 15 -1.638 -9.189 32.684 1.00 28.84 C ATOM 787 NZ LYS B 15 -1.356 -9.072 31.226 1.00 28.84 N ATOM 788 HA LYS B 15 -3.966 -6.817 36.533 1.00 0.00 H ATOM 789 HB2 LYS B 15 -5.388 -8.396 34.386 1.00 0.00 H ATOM 790 HB3 LYS B 15 -4.506 -6.872 34.131 1.00 0.00 H ATOM 791 HG2 LYS B 15 -2.438 -7.902 34.733 1.00 0.00 H ATOM 792 HG3 LYS B 15 -3.272 -9.405 35.194 1.00 0.00 H ATOM 793 HD2 LYS B 15 -3.563 -10.075 33.030 1.00 0.00 H ATOM 794 HD3 LYS B 15 -3.619 -8.411 32.403 1.00 0.00 H ATOM 795 HE2 LYS B 15 -1.266 -10.157 33.020 1.00 0.00 H ATOM 796 HE3 LYS B 15 -1.093 -8.395 33.194 1.00 0.00 H ATOM 797 HZ1 LYS B 15 -1.852 -9.830 30.716 1.00 0.00 H ATOM 798 HZ2 LYS B 15 -1.687 -8.148 30.883 1.00 0.00 H ATOM 799 HZ3 LYS B 15 -0.332 -9.156 31.064 1.00 0.00 H ATOM 800 H LYS B 15 -4.924 -9.454 36.691 1.00 0.00 H ATOM 801 N ALA B 16 -7.172 -7.514 35.566 1.00 32.86 N ATOM 802 CA ALA B 16 -8.560 -7.080 35.449 1.00 32.86 C ATOM 803 C ALA B 16 -9.081 -6.126 36.539 1.00 32.86 C ATOM 804 O ALA B 16 -9.730 -5.128 36.199 1.00 62.45 O ATOM 805 CB ALA B 16 -9.499 -8.262 35.411 1.00 62.45 C ATOM 806 HA ALA B 16 -8.549 -6.517 34.516 1.00 0.00 H ATOM 807 HB1 ALA B 16 -9.256 -8.890 34.554 1.00 0.00 H ATOM 808 HB2 ALA B 16 -9.390 -8.840 36.329 1.00 0.00 H ATOM 809 HB3 ALA B 16 -10.526 -7.906 35.323 1.00 0.00 H ATOM 810 H ALA B 16 -6.925 -8.465 35.226 1.00 0.00 H ATOM 811 N TYR B 17 -8.900 -6.509 37.822 1.00 52.57 N ATOM 812 CA TYR B 17 -9.298 -5.792 39.039 1.00 52.57 C ATOM 813 C TYR B 17 -8.575 -4.419 39.200 1.00 52.57 C ATOM 814 O TYR B 17 -9.180 -3.414 39.586 1.00 99.35 O ATOM 815 CB TYR B 17 -8.878 -6.726 40.191 1.00 99.35 C ATOM 816 CG TYR B 17 -9.258 -6.388 41.623 1.00 99.35 C ATOM 817 CD1 TYR B 17 -10.575 -6.068 41.972 1.00 99.35 C ATOM 818 CD2 TYR B 17 -8.323 -6.535 42.657 1.00 99.35 C ATOM 819 CE1 TYR B 17 -10.951 -5.831 43.298 1.00 99.35 C ATOM 820 CE2 TYR B 17 -8.683 -6.300 43.993 1.00 99.35 C ATOM 821 CZ TYR B 17 -9.999 -5.966 44.310 1.00 99.35 C ATOM 822 OH TYR B 17 -10.355 -5.739 45.611 1.00 99.35 O ATOM 823 HA TYR B 17 -10.364 -5.565 39.016 1.00 0.00 H ATOM 824 HB3 TYR B 17 -7.790 -6.792 40.162 1.00 0.00 H ATOM 825 HB2 TYR B 17 -9.306 -7.705 39.975 1.00 0.00 H ATOM 826 HD2 TYR B 17 -7.302 -6.836 42.420 1.00 0.00 H ATOM 827 HE2 TYR B 17 -7.935 -6.379 44.782 1.00 0.00 H ATOM 828 HE1 TYR B 17 -11.975 -5.544 43.538 1.00 0.00 H ATOM 829 HD1 TYR B 17 -11.329 -6.002 41.188 1.00 0.00 H ATOM 830 HH TYR B 17 -11.319 -5.516 45.654 1.00 0.00 H ATOM 831 H TYR B 17 -8.421 -7.421 37.964 1.00 0.00 H ATOM 832 N HIS B 18 -7.242 -4.423 38.905 1.00 32.05 N ATOM 833 CA HIS B 18 -6.340 -3.278 39.000 1.00 32.05 C ATOM 834 C HIS B 18 -6.736 -2.229 38.022 1.00 32.05 C ATOM 835 O HIS B 18 -6.660 -1.053 38.329 1.00 38.19 O ATOM 836 CB HIS B 18 -4.818 -3.594 39.000 1.00 38.19 C ATOM 837 CG HIS B 18 -3.930 -2.479 38.467 1.00 38.19 C ATOM 838 ND1 HIS B 18 -3.062 -2.661 37.365 1.00 38.19 N ATOM 839 CD2 HIS B 18 -3.753 -1.199 38.889 1.00 38.19 C ATOM 840 CE1 HIS B 18 -2.463 -1.500 37.111 1.00 38.19 C ATOM 841 NE2 HIS B 18 -2.832 -0.601 38.011 1.00 38.19 N ATOM 842 HA HIS B 18 -6.473 -2.884 40.008 1.00 0.00 H ATOM 843 HB2 HIS B 18 -4.516 -3.806 40.026 1.00 0.00 H ATOM 844 HB3 HIS B 18 -4.656 -4.479 38.385 1.00 0.00 H ATOM 845 HD2 HIS B 18 -4.234 -0.726 39.745 1.00 0.00 H ATOM 846 HE1 HIS B 18 -1.773 -1.317 36.287 1.00 0.00 H ATOM 847 H HIS B 18 -6.832 -5.323 38.583 1.00 0.00 H ATOM 848 N LEU B 19 -7.238 -2.698 36.879 1.00 29.64 N ATOM 849 CA LEU B 19 -7.724 -1.842 35.816 1.00 29.64 C ATOM 850 C LEU B 19 -9.091 -1.266 36.149 1.00 29.64 C ATOM 851 O LEU B 19 -9.419 -0.142 35.774 1.00 21.23 O ATOM 852 CB LEU B 19 -7.825 -2.598 34.506 1.00 21.23 C ATOM 853 CG LEU B 19 -6.514 -2.852 33.801 1.00 21.23 C ATOM 854 CD1 LEU B 19 -6.845 -3.495 32.465 1.00 21.23 C ATOM 855 CD2 LEU B 19 -5.886 -1.522 33.458 1.00 21.23 C ATOM 856 HA LEU B 19 -7.004 -1.030 35.715 1.00 0.00 H ATOM 857 HB2 LEU B 19 -8.290 -3.563 34.709 1.00 0.00 H ATOM 858 HB3 LEU B 19 -8.462 -2.023 33.834 1.00 0.00 H ATOM 859 HG LEU B 19 -5.860 -3.462 34.425 1.00 0.00 H ATOM 860 HD21 LEU B 19 -6.557 -0.962 32.806 1.00 0.00 H ATOM 861 HD22 LEU B 19 -5.712 -0.957 34.374 1.00 0.00 H ATOM 862 HD23 LEU B 19 -4.938 -1.690 32.948 1.00 0.00 H ATOM 863 HD11 LEU B 19 -7.379 -4.430 32.636 1.00 0.00 H ATOM 864 HD12 LEU B 19 -7.471 -2.819 31.883 1.00 0.00 H ATOM 865 HD13 LEU B 19 -5.922 -3.696 31.921 1.00 0.00 H ATOM 866 H LEU B 19 -7.283 -3.728 36.744 1.00 0.00 H ATOM 867 N GLU B 20 -9.908 -2.032 36.840 1.00 21.09 N ATOM 868 CA GLU B 20 -11.205 -1.482 37.166 1.00 21.09 C ATOM 869 C GLU B 20 -11.029 -0.252 38.087 1.00 21.09 C ATOM 870 O GLU B 20 -11.634 0.824 37.897 1.00 53.04 O ATOM 871 CB GLU B 20 -12.198 -2.526 37.741 1.00 53.04 C ATOM 872 CG GLU B 20 -12.926 -3.434 36.704 1.00 53.04 C ATOM 873 CD GLU B 20 -14.055 -4.287 37.275 1.00 53.04 C ATOM 874 OE1 GLU B 20 -13.865 -4.699 38.515 1.00 53.04 O ATOM 875 OE2 GLU B 20 -15.060 -4.552 36.634 1.00 53.04 O ATOM 876 HA GLU B 20 -11.671 -1.158 36.235 1.00 0.00 H ATOM 877 HB2 GLU B 20 -11.642 -3.175 38.418 1.00 0.00 H ATOM 878 HB3 GLU B 20 -12.960 -1.985 38.302 1.00 0.00 H ATOM 879 HG2 GLU B 20 -13.345 -2.793 35.928 1.00 0.00 H ATOM 880 HG3 GLU B 20 -12.187 -4.102 36.262 1.00 0.00 H ATOM 881 H GLU B 20 -9.633 -2.990 37.138 1.00 0.00 H ATOM 882 N ASN B 21 -10.167 -0.396 39.111 1.00 43.75 N ATOM 883 CA ASN B 21 -9.911 0.719 39.991 1.00 43.75 C ATOM 884 C ASN B 21 -9.505 1.893 39.083 1.00 43.75 C ATOM 885 O ASN B 21 -10.344 2.755 38.828 1.00 52.77 O ATOM 886 CB ASN B 21 -8.923 0.321 41.096 1.00 52.77 C ATOM 887 CG ASN B 21 -9.563 -0.436 42.283 1.00 52.77 C ATOM 888 OD1 ASN B 21 -9.446 -1.686 42.411 1.00 52.77 O ATOM 889 ND2 ASN B 21 -10.199 0.321 43.214 1.00 52.77 N ATOM 890 HA ASN B 21 -10.782 1.040 40.563 1.00 0.00 H ATOM 891 HB2 ASN B 21 -8.158 -0.319 40.656 1.00 0.00 H ATOM 892 HB3 ASN B 21 -8.458 1.229 41.481 1.00 0.00 H ATOM 893 HD22 ASN B 21 -10.280 1.349 43.081 1.00 0.00 H ATOM 894 HD21 ASN B 21 -10.605 -0.128 44.060 1.00 0.00 H ATOM 895 H ASN B 21 -9.688 -1.306 39.267 1.00 0.00 H ATOM 896 N GLU B 22 -8.292 1.808 38.471 1.00 30.49 N ATOM 897 CA GLU B 22 -7.699 2.708 37.439 1.00 30.49 C ATOM 898 C GLU B 22 -8.674 3.549 36.647 1.00 30.49 C ATOM 899 O GLU B 22 -8.391 4.722 36.435 1.00 33.95 O ATOM 900 CB GLU B 22 -6.894 1.937 36.363 1.00 33.95 C ATOM 901 CG GLU B 22 -5.364 2.020 36.480 1.00 33.95 C ATOM 902 CD GLU B 22 -4.986 2.459 37.848 1.00 33.95 C ATOM 903 OE1 GLU B 22 -5.275 1.617 38.754 1.00 33.95 O ATOM 904 OE2 GLU B 22 -4.542 3.536 38.120 1.00 33.95 O ATOM 905 HA GLU B 22 -7.080 3.353 38.063 1.00 0.00 H ATOM 906 HB2 GLU B 22 -7.177 0.886 36.423 1.00 0.00 H ATOM 907 HB3 GLU B 22 -7.176 2.333 35.387 1.00 0.00 H ATOM 908 HG2 GLU B 22 -4.932 1.039 36.282 1.00 0.00 H ATOM 909 HG3 GLU B 22 -4.984 2.736 35.752 1.00 0.00 H ATOM 910 H GLU B 22 -7.697 1.006 38.763 1.00 0.00 H ATOM 911 N VAL B 23 -9.762 2.937 36.180 1.00 29.30 N ATOM 912 CA VAL B 23 -10.822 3.597 35.374 1.00 29.30 C ATOM 913 C VAL B 23 -11.884 4.475 36.166 1.00 29.30 C ATOM 914 O VAL B 23 -12.757 5.190 35.621 1.00 26.14 O ATOM 915 CB VAL B 23 -11.455 2.559 34.450 1.00 26.14 C ATOM 916 CG1 VAL B 23 -12.865 2.890 34.033 1.00 26.14 C ATOM 917 CG2 VAL B 23 -10.583 2.298 33.223 1.00 26.14 C ATOM 918 HA VAL B 23 -10.323 4.368 34.786 1.00 0.00 H ATOM 919 HB VAL B 23 -11.517 1.647 35.044 1.00 0.00 H ATOM 920 HG11 VAL B 23 -13.497 2.962 34.918 1.00 0.00 H ATOM 921 HG12 VAL B 23 -12.871 3.842 33.502 1.00 0.00 H ATOM 922 HG13 VAL B 23 -13.243 2.105 33.378 1.00 0.00 H ATOM 923 HG21 VAL B 23 -10.456 3.226 32.665 1.00 0.00 H ATOM 924 HG22 VAL B 23 -9.609 1.928 33.543 1.00 0.00 H ATOM 925 HG23 VAL B 23 -11.065 1.554 32.588 1.00 0.00 H ATOM 926 H VAL B 23 -9.877 1.926 36.395 1.00 0.00 H ATOM 927 N ALA B 24 -11.783 4.402 37.496 1.00 50.10 N ATOM 928 CA ALA B 24 -12.599 5.123 38.432 1.00 50.10 C ATOM 929 C ALA B 24 -11.830 6.352 38.898 1.00 50.10 C ATOM 930 O ALA B 24 -12.345 7.465 38.901 1.00 68.73 O ATOM 931 CB ALA B 24 -12.864 4.204 39.607 1.00 68.73 C ATOM 932 HA ALA B 24 -13.540 5.439 37.982 1.00 0.00 H ATOM 933 HB1 ALA B 24 -13.382 3.311 39.258 1.00 0.00 H ATOM 934 HB2 ALA B 24 -11.917 3.921 40.066 1.00 0.00 H ATOM 935 HB3 ALA B 24 -13.483 4.722 40.339 1.00 0.00 H ATOM 936 H ALA B 24 -11.054 3.771 37.885 1.00 0.00 H ATOM 937 N ARG B 25 -10.568 6.128 39.302 1.00 37.18 N ATOM 938 CA ARG B 25 -9.685 7.194 39.675 1.00 37.18 C ATOM 939 C ARG B 25 -9.689 8.087 38.424 1.00 37.18 C ATOM 940 O ARG B 25 -9.806 9.312 38.506 1.00 60.28 O ATOM 941 CB ARG B 25 -8.293 6.665 40.085 1.00 60.28 C ATOM 942 CG ARG B 25 -7.169 7.718 40.248 1.00 60.28 C ATOM 943 CD ARG B 25 -6.586 7.931 41.686 1.00 60.28 C ATOM 944 NE ARG B 25 -5.265 8.646 41.745 1.00 60.28 N ATOM 945 CZ ARG B 25 -4.311 8.677 42.737 1.00 60.28 C ATOM 946 NH1 ARG B 25 -4.386 8.074 43.937 1.00 60.28 N ATOM 947 NH2 ARG B 25 -3.213 9.384 42.495 1.00 60.28 N ATOM 948 HA ARG B 25 -9.995 7.748 40.561 1.00 0.00 H ATOM 949 HB2 ARG B 25 -8.403 6.149 41.039 1.00 0.00 H ATOM 950 HB3 ARG B 25 -7.972 5.954 39.324 1.00 0.00 H ATOM 951 HG2 ARG B 25 -6.344 7.419 39.601 1.00 0.00 H ATOM 952 HG3 ARG B 25 -7.566 8.675 39.910 1.00 0.00 H ATOM 953 HD2 ARG B 25 -6.460 6.951 42.147 1.00 0.00 H ATOM 954 HD3 ARG B 25 -7.309 8.511 42.260 1.00 0.00 H ATOM 955 HE ARG B 25 -5.035 9.208 40.901 1.00 0.00 H ATOM 956 HH12 ARG B 25 -3.602 8.164 44.614 1.00 0.00 H ATOM 957 HH11 ARG B 25 -5.228 7.517 44.188 1.00 0.00 H ATOM 958 HH22 ARG B 25 -2.462 9.440 43.212 1.00 0.00 H ATOM 959 HH21 ARG B 25 -3.104 9.882 41.588 1.00 0.00 H ATOM 960 H ARG B 25 -10.220 5.149 39.345 1.00 0.00 H ATOM 961 N LEU B 26 -9.623 7.460 37.227 1.00 35.92 N ATOM 962 CA LEU B 26 -9.593 8.269 36.032 1.00 35.92 C ATOM 963 C LEU B 26 -10.865 9.069 35.928 1.00 35.92 C ATOM 964 O LEU B 26 -10.780 10.269 35.668 1.00 40.01 O ATOM 965 CB LEU B 26 -9.400 7.518 34.692 1.00 40.01 C ATOM 966 CG LEU B 26 -8.011 7.020 34.263 1.00 40.01 C ATOM 967 CD1 LEU B 26 -7.814 7.089 32.730 1.00 40.01 C ATOM 968 CD2 LEU B 26 -6.836 7.608 35.031 1.00 40.01 C ATOM 969 HA LEU B 26 -8.704 8.887 36.160 1.00 0.00 H ATOM 970 HB2 LEU B 26 -10.047 6.641 34.730 1.00 0.00 H ATOM 971 HB3 LEU B 26 -9.746 8.189 33.906 1.00 0.00 H ATOM 972 HG LEU B 26 -8.005 5.969 34.551 1.00 0.00 H ATOM 973 HD21 LEU B 26 -6.827 8.691 34.905 1.00 0.00 H ATOM 974 HD22 LEU B 26 -6.937 7.365 36.089 1.00 0.00 H ATOM 975 HD23 LEU B 26 -5.906 7.188 34.647 1.00 0.00 H ATOM 976 HD11 LEU B 26 -8.564 6.467 32.240 1.00 0.00 H ATOM 977 HD12 LEU B 26 -7.922 8.121 32.397 1.00 0.00 H ATOM 978 HD13 LEU B 26 -6.818 6.727 32.476 1.00 0.00 H ATOM 979 H LEU B 26 -9.595 6.422 37.169 1.00 0.00 H ATOM 980 N LYS B 27 -12.001 8.347 36.106 1.00 30.17 N ATOM 981 CA LYS B 27 -13.378 8.805 36.003 1.00 30.17 C ATOM 982 C LYS B 27 -13.691 10.036 36.828 1.00 30.17 C ATOM 983 O LYS B 27 -14.506 10.846 36.408 1.00 43.82 O ATOM 984 CB LYS B 27 -14.339 7.708 36.349 1.00 43.82 C ATOM 985 CG LYS B 27 -15.003 7.058 35.156 1.00 43.82 C ATOM 986 CD LYS B 27 -16.019 5.988 35.603 1.00 43.82 C ATOM 987 CE LYS B 27 -15.421 4.800 36.387 1.00 43.82 C ATOM 988 NZ LYS B 27 -16.368 3.688 36.596 1.00 43.82 N ATOM 989 HA LYS B 27 -13.500 9.094 34.959 1.00 0.00 H ATOM 990 HB2 LYS B 27 -13.795 6.939 36.898 1.00 0.00 H ATOM 991 HB3 LYS B 27 -15.118 8.126 36.987 1.00 0.00 H ATOM 992 HG2 LYS B 27 -15.521 7.822 34.576 1.00 0.00 H ATOM 993 HG3 LYS B 27 -14.240 6.588 34.535 1.00 0.00 H ATOM 994 HD2 LYS B 27 -16.761 6.472 36.238 1.00 0.00 H ATOM 995 HD3 LYS B 27 -16.507 5.593 34.712 1.00 0.00 H ATOM 996 HE2 LYS B 27 -15.094 5.161 37.362 1.00 0.00 H ATOM 997 HE3 LYS B 27 -14.562 4.421 35.834 1.00 0.00 H ATOM 998 HZ1 LYS B 27 -17.190 4.031 37.133 1.00 0.00 H ATOM 999 HZ2 LYS B 27 -16.682 3.324 35.674 1.00 0.00 H ATOM 1000 HZ3 LYS B 27 -15.897 2.929 37.128 1.00 0.00 H ATOM 1001 H LYS B 27 -11.871 7.343 36.345 1.00 0.00 H ATOM 1002 N LYS B 28 -12.970 10.157 37.945 1.00 40.90 N ATOM 1003 CA LYS B 28 -13.036 11.242 38.892 1.00 40.90 C ATOM 1004 C LYS B 28 -12.172 12.454 38.529 1.00 40.90 C ATOM 1005 O LYS B 28 -12.656 13.610 38.547 1.00 71.76 O ATOM 1006 CB LYS B 28 -12.853 10.791 40.318 1.00 71.76 C ATOM 1007 CG LYS B 28 -11.533 10.116 40.546 1.00 71.76 C ATOM 1008 CD LYS B 28 -11.618 9.219 41.749 1.00 71.76 C ATOM 1009 CE LYS B 28 -11.487 10.007 43.039 1.00 71.76 C ATOM 1010 NZ LYS B 28 -12.747 10.126 43.792 1.00 71.76 N ATOM 1011 HA LYS B 28 -14.060 11.607 38.818 1.00 0.00 H ATOM 1012 HB2 LYS B 28 -12.917 11.662 40.971 1.00 0.00 H ATOM 1013 HB3 LYS B 28 -13.651 10.091 40.568 1.00 0.00 H ATOM 1014 HG2 LYS B 28 -11.274 9.522 39.669 1.00 0.00 H ATOM 1015 HG3 LYS B 28 -10.764 10.871 40.711 1.00 0.00 H ATOM 1016 HD2 LYS B 28 -12.580 8.707 41.742 1.00 0.00 H ATOM 1017 HD3 LYS B 28 -10.816 8.483 41.700 1.00 0.00 H ATOM 1018 HE2 LYS B 28 -11.135 11.010 42.796 1.00 0.00 H ATOM 1019 HE3 LYS B 28 -10.753 9.510 43.673 1.00 0.00 H ATOM 1020 HZ1 LYS B 28 -13.456 10.609 43.205 1.00 0.00 H ATOM 1021 HZ2 LYS B 28 -13.091 9.177 44.042 1.00 0.00 H ATOM 1022 HZ3 LYS B 28 -12.581 10.676 44.659 1.00 0.00 H ATOM 1023 H LYS B 28 -12.295 9.394 38.152 1.00 0.00 H ATOM 1024 N LEU B 29 -10.915 12.189 38.129 1.00 82.43 N ATOM 1025 CA LEU B 29 -9.982 13.215 37.657 1.00 82.43 C ATOM 1026 C LEU B 29 -10.400 13.767 36.285 1.00 82.43 C ATOM 1027 O LEU B 29 -9.568 14.239 35.508 1.00 44.44 O ATOM 1028 CB LEU B 29 -8.546 12.680 37.584 1.00 44.44 C ATOM 1029 CG LEU B 29 -8.101 11.968 38.855 1.00 44.44 C ATOM 1030 CD1 LEU B 29 -6.582 12.074 38.988 1.00 44.44 C ATOM 1031 CD2 LEU B 29 -8.782 12.541 40.101 1.00 44.44 C ATOM 1032 HA LEU B 29 -10.014 14.026 38.384 1.00 0.00 H ATOM 1033 HB2 LEU B 29 -8.480 11.978 36.753 1.00 0.00 H ATOM 1034 HB3 LEU B 29 -7.873 13.518 37.404 1.00 0.00 H ATOM 1035 HG LEU B 29 -8.396 10.921 38.779 1.00 0.00 H ATOM 1036 HD21 LEU B 29 -8.532 13.598 40.196 1.00 0.00 H ATOM 1037 HD22 LEU B 29 -9.862 12.429 40.007 1.00 0.00 H ATOM 1038 HD23 LEU B 29 -8.435 12.003 40.983 1.00 0.00 H ATOM 1039 HD11 LEU B 29 -6.109 11.608 38.123 1.00 0.00 H ATOM 1040 HD12 LEU B 29 -6.295 13.124 39.038 1.00 0.00 H ATOM 1041 HD13 LEU B 29 -6.262 11.565 39.897 1.00 0.00 H ATOM 1042 H LEU B 29 -10.588 11.202 38.156 1.00 0.00 H ATOM 1043 N VAL B 30 -11.716 13.647 36.027 1.00 47.50 N ATOM 1044 CA VAL B 30 -12.484 14.098 34.860 1.00 47.50 C ATOM 1045 C VAL B 30 -13.966 14.143 35.262 1.00 47.50 C ATOM 1046 O VAL B 30 -14.819 14.753 34.610 1.00 53.40 O ATOM 1047 CB VAL B 30 -12.305 13.233 33.629 1.00 53.40 C ATOM 1048 CG1 VAL B 30 -12.891 13.993 32.439 1.00 53.40 C ATOM 1049 CG2 VAL B 30 -10.826 12.938 33.392 1.00 53.40 C ATOM 1050 HA VAL B 30 -12.109 15.082 34.577 1.00 0.00 H ATOM 1051 HB VAL B 30 -12.815 12.279 33.761 1.00 0.00 H ATOM 1052 HG11 VAL B 30 -13.949 14.185 32.618 1.00 0.00 H ATOM 1053 HG12 VAL B 30 -12.364 14.939 32.318 1.00 0.00 H ATOM 1054 HG13 VAL B 30 -12.777 13.394 31.535 1.00 0.00 H ATOM 1055 HG21 VAL B 30 -10.288 13.875 33.248 1.00 0.00 H ATOM 1056 HG22 VAL B 30 -10.418 12.413 34.256 1.00 0.00 H ATOM 1057 HG23 VAL B 30 -10.719 12.316 32.504 1.00 0.00 H ATOM 1058 H VAL B 30 -12.270 13.164 36.763 1.00 0.00 H TER 1059 VAL B 30 ATOM 1060 N ARG C 1 -11.961 -27.254 21.836 1.00 54.20 N ATOM 1061 CA ARG C 1 -12.424 -27.316 23.232 1.00 54.20 C ATOM 1062 C ARG C 1 -11.630 -26.356 24.113 1.00 54.20 C ATOM 1063 O ARG C 1 -12.127 -25.322 24.621 1.00 60.35 O ATOM 1064 CB ARG C 1 -12.311 -28.737 23.795 1.00 60.35 C ATOM 1065 HA ARG C 1 -13.473 -27.021 23.236 1.00 0.00 H ATOM 1066 HB2 ARG C 1 -12.922 -29.413 23.197 1.00 0.00 H ATOM 1067 HB3 ARG C 1 -11.270 -29.059 23.760 1.00 0.00 H ATOM 1068 HN3 ARG C 1 -10.955 -27.515 21.794 1.00 0.00 H ATOM 1069 HN2 ARG C 1 -12.085 -26.287 21.474 1.00 0.00 H ATOM 1070 HN1 ARG C 1 -12.517 -27.916 21.258 1.00 0.00 H ATOM 1071 N MET C 2 -10.349 -26.748 24.237 1.00100.00 N ATOM 1072 CA MET C 2 -9.298 -26.071 24.982 1.00100.00 C ATOM 1073 C MET C 2 -8.375 -25.271 24.056 1.00100.00 C ATOM 1074 O MET C 2 -7.746 -24.283 24.440 1.00 89.57 O ATOM 1075 CB MET C 2 -8.583 -27.086 25.876 1.00 89.57 C ATOM 1076 CG MET C 2 -9.610 -27.943 26.598 1.00 89.57 C ATOM 1077 SD MET C 2 -11.101 -27.014 27.086 1.00 89.57 S ATOM 1078 CE MET C 2 -11.420 -27.792 28.681 1.00 89.57 C ATOM 1079 HA MET C 2 -9.729 -25.318 25.642 1.00 0.00 H ATOM 1080 HB2 MET C 2 -7.945 -27.723 25.264 1.00 0.00 H ATOM 1081 HB3 MET C 2 -7.972 -26.558 26.608 1.00 0.00 H ATOM 1082 HG2 MET C 2 -9.149 -28.355 27.495 1.00 0.00 H ATOM 1083 HG3 MET C 2 -9.909 -28.757 25.938 1.00 0.00 H ATOM 1084 HE1 MET C 2 -11.584 -28.860 28.537 1.00 0.00 H ATOM 1085 HE2 MET C 2 -10.562 -27.640 29.336 1.00 0.00 H ATOM 1086 HE3 MET C 2 -12.306 -27.345 29.131 1.00 0.00 H ATOM 1087 H MET C 2 -10.082 -27.627 23.749 1.00 0.00 H ATOM 1088 N LYS C 3 -8.335 -25.686 22.799 1.00 76.63 N ATOM 1089 CA LYS C 3 -7.626 -24.928 21.806 1.00 76.63 C ATOM 1090 C LYS C 3 -8.564 -23.770 21.496 1.00 76.63 C ATOM 1091 O LYS C 3 -8.228 -22.782 20.814 1.00 30.98 O ATOM 1092 CB LYS C 3 -7.403 -25.717 20.532 1.00 30.98 C ATOM 1093 CG LYS C 3 -6.075 -25.405 19.866 1.00 30.98 C ATOM 1094 CD LYS C 3 -6.181 -25.310 18.348 1.00 30.98 C ATOM 1095 CE LYS C 3 -4.785 -25.435 17.697 1.00 30.98 C ATOM 1096 NZ LYS C 3 -4.702 -26.221 16.432 1.00 30.98 N ATOM 1097 HA LYS C 3 -6.641 -24.634 22.168 1.00 0.00 H ATOM 1098 HB2 LYS C 3 -7.430 -26.780 20.772 1.00 0.00 H ATOM 1099 HB3 LYS C 3 -8.206 -25.483 19.833 1.00 0.00 H ATOM 1100 HG2 LYS C 3 -5.708 -24.453 20.250 1.00 0.00 H ATOM 1101 HG3 LYS C 3 -5.366 -26.194 20.117 1.00 0.00 H ATOM 1102 HD2 LYS C 3 -6.821 -26.113 17.982 1.00 0.00 H ATOM 1103 HD3 LYS C 3 -6.618 -24.348 18.078 1.00 0.00 H ATOM 1104 HE2 LYS C 3 -4.123 -25.907 18.423 1.00 0.00 H ATOM 1105 HE3 LYS C 3 -4.429 -24.427 17.484 1.00 0.00 H ATOM 1106 HZ1 LYS C 3 -5.019 -27.195 16.609 1.00 0.00 H ATOM 1107 HZ2 LYS C 3 -5.311 -25.782 15.712 1.00 0.00 H ATOM 1108 HZ3 LYS C 3 -3.718 -26.231 16.096 1.00 0.00 H ATOM 1109 H LYS C 3 -8.820 -26.566 22.529 1.00 0.00 H ATOM 1110 N GLN C 4 -9.783 -23.954 22.015 1.00100.00 N ATOM 1111 CA GLN C 4 -10.876 -23.010 21.887 1.00100.00 C ATOM 1112 C GLN C 4 -10.881 -22.052 23.065 1.00100.00 C ATOM 1113 O GLN C 4 -11.203 -20.847 22.882 1.00 61.69 O ATOM 1114 CB GLN C 4 -12.222 -23.721 21.701 1.00 61.69 C ATOM 1115 CG GLN C 4 -12.508 -24.247 20.248 1.00 61.69 C ATOM 1116 CD GLN C 4 -11.416 -24.017 19.185 1.00 61.69 C ATOM 1117 OE1 GLN C 4 -10.808 -22.921 19.093 1.00 61.69 O ATOM 1118 NE2 GLN C 4 -11.200 -25.051 18.340 1.00 61.69 N ATOM 1119 HA GLN C 4 -10.721 -22.421 20.983 1.00 0.00 H ATOM 1120 HB2 GLN C 4 -12.250 -24.573 22.380 1.00 0.00 H ATOM 1121 HB3 GLN C 4 -13.013 -23.020 21.968 1.00 0.00 H ATOM 1122 HG2 GLN C 4 -12.678 -25.322 20.316 1.00 0.00 H ATOM 1123 HG3 GLN C 4 -13.416 -23.758 19.896 1.00 0.00 H ATOM 1124 HE22 GLN C 4 -11.729 -25.938 18.458 1.00 0.00 H ATOM 1125 HE21 GLN C 4 -10.505 -24.959 17.572 1.00 0.00 H ATOM 1126 H GLN C 4 -9.958 -24.832 22.545 1.00 0.00 H ATOM 1127 N LEU C 5 -10.450 -22.646 24.219 1.00 47.97 N ATOM 1128 CA LEU C 5 -10.226 -22.022 25.555 1.00 47.97 C ATOM 1129 C LEU C 5 -8.849 -21.358 25.778 1.00 47.97 C ATOM 1130 O LEU C 5 -8.736 -20.376 26.521 1.00 38.87 O ATOM 1131 CB LEU C 5 -10.547 -22.933 26.753 1.00 38.87 C ATOM 1132 CG LEU C 5 -11.492 -22.288 27.754 1.00 38.87 C ATOM 1133 CD1 LEU C 5 -12.923 -22.648 27.335 1.00 38.87 C ATOM 1134 CD2 LEU C 5 -11.159 -22.803 29.171 1.00 38.87 C ATOM 1135 HA LEU C 5 -10.962 -21.219 25.518 1.00 0.00 H ATOM 1136 HB2 LEU C 5 -11.007 -23.848 26.380 1.00 0.00 H ATOM 1137 HB3 LEU C 5 -9.615 -23.178 27.263 1.00 0.00 H ATOM 1138 HG LEU C 5 -11.387 -21.203 27.769 1.00 0.00 H ATOM 1139 HD21 LEU C 5 -11.278 -23.886 29.200 1.00 0.00 H ATOM 1140 HD22 LEU C 5 -10.130 -22.543 29.418 1.00 0.00 H ATOM 1141 HD23 LEU C 5 -11.835 -22.343 29.892 1.00 0.00 H ATOM 1142 HD11 LEU C 5 -13.113 -22.268 26.331 1.00 0.00 H ATOM 1143 HD12 LEU C 5 -13.041 -23.732 27.343 1.00 0.00 H ATOM 1144 HD13 LEU C 5 -13.629 -22.200 28.034 1.00 0.00 H ATOM 1145 H LEU C 5 -10.253 -23.665 24.157 1.00 0.00 H ATOM 1146 N GLU C 6 -7.805 -21.905 25.171 1.00100.00 N ATOM 1147 CA GLU C 6 -6.484 -21.283 25.247 1.00100.00 C ATOM 1148 C GLU C 6 -6.532 -20.174 24.181 1.00100.00 C ATOM 1149 O GLU C 6 -5.585 -19.403 23.954 1.00 69.40 O ATOM 1150 CB GLU C 6 -5.284 -22.266 25.025 1.00 69.40 C ATOM 1151 CG GLU C 6 -4.575 -22.870 26.281 1.00 69.40 C ATOM 1152 CD GLU C 6 -3.942 -24.204 25.970 1.00 69.40 C ATOM 1153 OE1 GLU C 6 -4.567 -25.149 25.594 1.00 69.40 O ATOM 1154 OE2 GLU C 6 -2.681 -24.299 26.269 1.00 69.40 O ATOM 1155 HA GLU C 6 -6.293 -20.906 26.252 1.00 0.00 H ATOM 1156 HB2 GLU C 6 -5.657 -23.101 24.432 1.00 0.00 H ATOM 1157 HB3 GLU C 6 -4.527 -21.727 24.455 1.00 0.00 H ATOM 1158 HG2 GLU C 6 -3.801 -22.180 26.617 1.00 0.00 H ATOM 1159 HG3 GLU C 6 -5.311 -23.003 27.074 1.00 0.00 H ATOM 1160 H GLU C 6 -7.927 -22.787 24.634 1.00 0.00 H ATOM 1161 N ASP C 7 -7.710 -20.173 23.525 1.00 97.35 N ATOM 1162 CA ASP C 7 -8.127 -19.223 22.510 1.00 97.35 C ATOM 1163 C ASP C 7 -8.968 -18.192 23.191 1.00 97.35 C ATOM 1164 O ASP C 7 -8.941 -17.006 22.866 1.00 50.50 O ATOM 1165 CB ASP C 7 -8.890 -19.833 21.330 1.00 50.50 C ATOM 1166 CG ASP C 7 -7.911 -20.083 20.234 1.00 50.50 C ATOM 1167 OD1 ASP C 7 -6.744 -20.438 20.490 1.00 50.50 O ATOM 1168 OD2 ASP C 7 -8.427 -19.914 19.023 1.00 50.50 O ATOM 1169 HA ASP C 7 -7.227 -18.801 22.063 1.00 0.00 H ATOM 1170 HB2 ASP C 7 -9.355 -20.771 21.634 1.00 0.00 H ATOM 1171 HB3 ASP C 7 -9.660 -19.141 20.989 1.00 0.00 H ATOM 1172 H ASP C 7 -8.385 -20.925 23.770 1.00 0.00 H ATOM 1173 N LYS C 8 -9.703 -18.656 24.184 1.00 39.69 N ATOM 1174 CA LYS C 8 -10.424 -17.658 24.912 1.00 39.69 C ATOM 1175 C LYS C 8 -9.354 -16.908 25.662 1.00 39.69 C ATOM 1176 O LYS C 8 -9.047 -15.761 25.361 1.00 45.16 O ATOM 1177 CB LYS C 8 -11.525 -18.159 25.802 1.00 45.16 C ATOM 1178 CG LYS C 8 -12.852 -17.516 25.442 1.00 45.16 C ATOM 1179 CD LYS C 8 -12.860 -16.794 24.100 1.00 45.16 C ATOM 1180 CE LYS C 8 -13.948 -17.293 23.170 1.00 45.16 C ATOM 1181 NZ LYS C 8 -13.513 -17.372 21.769 1.00 45.16 N ATOM 1182 HA LYS C 8 -10.991 -17.029 24.226 1.00 0.00 H ATOM 1183 HB2 LYS C 8 -11.610 -19.240 25.690 1.00 0.00 H ATOM 1184 HB3 LYS C 8 -11.283 -17.921 26.838 1.00 0.00 H ATOM 1185 HG2 LYS C 8 -13.612 -18.296 25.414 1.00 0.00 H ATOM 1186 HG3 LYS C 8 -13.103 -16.794 26.219 1.00 0.00 H ATOM 1187 HD2 LYS C 8 -13.015 -15.730 24.278 1.00 0.00 H ATOM 1188 HD3 LYS C 8 -11.894 -16.944 23.618 1.00 0.00 H ATOM 1189 HE2 LYS C 8 -14.798 -16.613 23.233 1.00 0.00 H ATOM 1190 HE3 LYS C 8 -14.255 -18.287 23.495 1.00 0.00 H ATOM 1191 HZ1 LYS C 8 -13.226 -16.427 21.443 1.00 0.00 H ATOM 1192 HZ2 LYS C 8 -12.708 -18.026 21.694 1.00 0.00 H ATOM 1193 HZ3 LYS C 8 -14.299 -17.719 21.182 1.00 0.00 H ATOM 1194 H LYS C 8 -9.754 -19.668 24.419 1.00 0.00 H ATOM 1195 N VAL C 9 -8.679 -17.594 26.560 1.00 31.03 N ATOM 1196 CA VAL C 9 -7.587 -16.880 27.185 1.00 31.03 C ATOM 1197 C VAL C 9 -6.664 -16.133 26.174 1.00 31.03 C ATOM 1198 O VAL C 9 -5.952 -15.225 26.573 1.00 41.00 O ATOM 1199 CB VAL C 9 -6.869 -17.776 28.158 1.00 41.00 C ATOM 1200 CG1 VAL C 9 -5.853 -17.016 29.009 1.00 41.00 C ATOM 1201 CG2 VAL C 9 -7.958 -18.419 29.011 1.00 41.00 C ATOM 1202 HA VAL C 9 -8.009 -16.061 27.768 1.00 0.00 H ATOM 1203 HB VAL C 9 -6.280 -18.528 27.632 1.00 0.00 H ATOM 1204 HG11 VAL C 9 -5.107 -16.558 28.359 1.00 0.00 H ATOM 1205 HG12 VAL C 9 -6.366 -16.241 29.579 1.00 0.00 H ATOM 1206 HG13 VAL C 9 -5.364 -17.709 29.693 1.00 0.00 H ATOM 1207 HG21 VAL C 9 -8.519 -17.641 29.529 1.00 0.00 H ATOM 1208 HG22 VAL C 9 -8.631 -18.989 28.370 1.00 0.00 H ATOM 1209 HG23 VAL C 9 -7.499 -19.085 29.742 1.00 0.00 H ATOM 1210 H VAL C 9 -8.914 -18.578 26.803 1.00 0.00 H ATOM 1211 N GLU C 10 -6.704 -16.494 24.869 1.00 32.35 N ATOM 1212 CA GLU C 10 -5.940 -15.874 23.788 1.00 32.35 C ATOM 1213 C GLU C 10 -6.364 -14.424 23.417 1.00 32.35 C ATOM 1214 O GLU C 10 -5.473 -13.571 23.133 1.00 43.53 O ATOM 1215 CB GLU C 10 -6.064 -16.744 22.530 1.00 43.53 C ATOM 1216 CG GLU C 10 -5.742 -16.017 21.226 1.00 43.53 C ATOM 1217 CD GLU C 10 -6.575 -16.484 20.053 1.00 43.53 C ATOM 1218 OE1 GLU C 10 -7.797 -16.653 20.074 1.00 43.53 O ATOM 1219 OE2 GLU C 10 -5.848 -16.642 18.965 1.00 43.53 O ATOM 1220 HA GLU C 10 -4.918 -15.805 24.160 1.00 0.00 H ATOM 1221 HB2 GLU C 10 -5.380 -17.587 22.629 1.00 0.00 H ATOM 1222 HB3 GLU C 10 -7.088 -17.114 22.471 1.00 0.00 H ATOM 1223 HG2 GLU C 10 -5.918 -14.951 21.372 1.00 0.00 H ATOM 1224 HG3 GLU C 10 -4.691 -16.181 20.990 1.00 0.00 H ATOM 1225 H GLU C 10 -7.334 -17.281 24.614 1.00 0.00 H ATOM 1226 N GLU C 11 -7.721 -14.208 23.356 1.00 18.66 N ATOM 1227 CA GLU C 11 -8.481 -13.000 23.073 1.00 18.66 C ATOM 1228 C GLU C 11 -8.347 -12.034 24.252 1.00 18.66 C ATOM 1229 O GLU C 11 -8.110 -10.859 24.024 1.00 69.19 O ATOM 1230 CB GLU C 11 -9.967 -13.345 22.984 1.00 69.19 C ATOM 1231 CG GLU C 11 -10.510 -13.463 21.571 1.00 69.19 C ATOM 1232 CD GLU C 11 -11.061 -14.833 21.320 1.00 69.19 C ATOM 1233 OE1 GLU C 11 -11.177 -15.669 22.198 1.00 69.19 O ATOM 1234 OE2 GLU C 11 -11.363 -15.044 20.058 1.00 69.19 O ATOM 1235 HA GLU C 11 -8.110 -12.565 22.145 1.00 0.00 H ATOM 1236 HB2 GLU C 11 -10.125 -14.298 23.489 1.00 0.00 H ATOM 1237 HB3 GLU C 11 -10.528 -12.565 23.499 1.00 0.00 H ATOM 1238 HG2 GLU C 11 -11.303 -12.728 21.431 1.00 0.00 H ATOM 1239 HG3 GLU C 11 -9.706 -13.267 20.862 1.00 0.00 H ATOM 1240 H GLU C 11 -8.302 -15.050 23.544 1.00 0.00 H ATOM 1241 N LEU C 12 -8.538 -12.557 25.524 1.00 22.62 N ATOM 1242 CA LEU C 12 -8.445 -11.769 26.790 1.00 22.62 C ATOM 1243 C LEU C 12 -7.065 -11.198 27.115 1.00 22.62 C ATOM 1244 O LEU C 12 -6.927 -10.381 27.972 1.00 21.94 O ATOM 1245 CB LEU C 12 -8.899 -12.519 28.076 1.00 21.94 C ATOM 1246 CG LEU C 12 -10.317 -13.069 28.017 1.00 21.94 C ATOM 1247 CD1 LEU C 12 -10.850 -13.535 29.369 1.00 21.94 C ATOM 1248 CD2 LEU C 12 -11.179 -11.972 27.390 1.00 21.94 C ATOM 1249 HA LEU C 12 -9.140 -10.965 26.548 1.00 0.00 H ATOM 1250 HB2 LEU C 12 -8.217 -13.352 28.244 1.00 0.00 H ATOM 1251 HB3 LEU C 12 -8.837 -11.826 28.915 1.00 0.00 H ATOM 1252 HG LEU C 12 -10.339 -13.976 27.413 1.00 0.00 H ATOM 1253 HD21 LEU C 12 -11.132 -11.076 28.009 1.00 0.00 H ATOM 1254 HD22 LEU C 12 -10.806 -11.745 26.391 1.00 0.00 H ATOM 1255 HD23 LEU C 12 -12.211 -12.316 27.324 1.00 0.00 H ATOM 1256 HD11 LEU C 12 -10.210 -14.327 29.757 1.00 0.00 H ATOM 1257 HD12 LEU C 12 -10.855 -12.696 30.065 1.00 0.00 H ATOM 1258 HD13 LEU C 12 -11.865 -13.914 29.247 1.00 0.00 H ATOM 1259 H LEU C 12 -8.762 -13.570 25.601 1.00 0.00 H ATOM 1260 N LEU C 13 -6.051 -11.761 26.524 1.00 33.04 N ATOM 1261 CA LEU C 13 -4.671 -11.391 26.730 1.00 33.04 C ATOM 1262 C LEU C 13 -4.381 -10.186 25.848 1.00 33.04 C ATOM 1263 O LEU C 13 -3.893 -9.123 26.279 1.00 33.77 O ATOM 1264 CB LEU C 13 -3.744 -12.600 26.444 1.00 33.77 C ATOM 1265 CG LEU C 13 -3.602 -13.430 27.704 1.00 33.77 C ATOM 1266 CD1 LEU C 13 -2.218 -14.055 27.937 1.00 33.77 C ATOM 1267 CD2 LEU C 13 -3.981 -12.510 28.859 1.00 33.77 C ATOM 1268 HA LEU C 13 -4.480 -11.112 27.766 1.00 0.00 H ATOM 1269 HB2 LEU C 13 -4.176 -13.211 25.652 1.00 0.00 H ATOM 1270 HB3 LEU C 13 -2.763 -12.242 26.131 1.00 0.00 H ATOM 1271 HG LEU C 13 -4.254 -14.299 27.613 1.00 0.00 H ATOM 1272 HD21 LEU C 13 -3.309 -11.652 28.874 1.00 0.00 H ATOM 1273 HD22 LEU C 13 -5.007 -12.167 28.727 1.00 0.00 H ATOM 1274 HD23 LEU C 13 -3.897 -13.056 29.799 1.00 0.00 H ATOM 1275 HD11 LEU C 13 -1.975 -14.716 27.105 1.00 0.00 H ATOM 1276 HD12 LEU C 13 -1.471 -13.265 28.005 1.00 0.00 H ATOM 1277 HD13 LEU C 13 -2.230 -14.626 28.865 1.00 0.00 H ATOM 1278 H LEU C 13 -6.249 -12.533 25.856 1.00 0.00 H ATOM 1279 N SER C 14 -4.749 -10.387 24.591 1.00 11.34 N ATOM 1280 CA SER C 14 -4.606 -9.392 23.605 1.00 11.34 C ATOM 1281 C SER C 14 -5.291 -8.166 24.120 1.00 11.34 C ATOM 1282 O SER C 14 -4.671 -7.104 24.125 1.00 35.57 O ATOM 1283 CB SER C 14 -5.107 -9.801 22.234 1.00 35.57 C ATOM 1284 OG SER C 14 -5.269 -8.687 21.364 1.00 35.57 O ATOM 1285 HA SER C 14 -3.545 -9.205 23.438 1.00 0.00 H ATOM 1286 HB2 SER C 14 -6.069 -10.301 22.347 1.00 0.00 H ATOM 1287 HB3 SER C 14 -4.390 -10.492 21.790 1.00 0.00 H ATOM 1288 HG SER C 14 -5.596 -9.002 20.484 1.00 0.00 H ATOM 1289 H SER C 14 -5.155 -11.307 24.325 1.00 0.00 H ATOM 1290 N LYS C 15 -6.456 -8.350 24.727 1.00 17.40 N ATOM 1291 CA LYS C 15 -7.275 -7.223 25.183 1.00 17.40 C ATOM 1292 C LYS C 15 -6.746 -6.477 26.382 1.00 17.40 C ATOM 1293 O LYS C 15 -6.927 -5.285 26.427 1.00 43.81 O ATOM 1294 CB LYS C 15 -8.748 -7.522 25.457 1.00 43.81 C ATOM 1295 CG LYS C 15 -9.602 -8.150 24.385 1.00 43.81 C ATOM 1296 CD LYS C 15 -10.896 -8.609 25.035 1.00 43.81 C ATOM 1297 CE LYS C 15 -11.950 -9.073 24.058 1.00 43.81 C ATOM 1298 NZ LYS C 15 -12.670 -7.943 23.453 1.00 43.81 N ATOM 1299 HA LYS C 15 -7.202 -6.594 24.295 1.00 0.00 H ATOM 1300 HB2 LYS C 15 -8.779 -8.192 26.317 1.00 0.00 H ATOM 1301 HB3 LYS C 15 -9.218 -6.574 25.719 1.00 0.00 H ATOM 1302 HG2 LYS C 15 -9.817 -7.419 23.605 1.00 0.00 H ATOM 1303 HG3 LYS C 15 -9.083 -9.003 23.948 1.00 0.00 H ATOM 1304 HD2 LYS C 15 -10.666 -9.435 25.708 1.00 0.00 H ATOM 1305 HD3 LYS C 15 -11.304 -7.777 25.609 1.00 0.00 H ATOM 1306 HE2 LYS C 15 -12.665 -9.706 24.584 1.00 0.00 H ATOM 1307 HE3 LYS C 15 -11.469 -9.649 23.267 1.00 0.00 H ATOM 1308 HZ1 LYS C 15 -13.137 -7.391 24.200 1.00 0.00 H ATOM 1309 HZ2 LYS C 15 -11.996 -7.337 22.943 1.00 0.00 H ATOM 1310 HZ3 LYS C 15 -13.384 -8.304 22.789 1.00 0.00 H ATOM 1311 H LYS C 15 -6.797 -9.320 24.884 1.00 0.00 H ATOM 1312 N ALA C 16 -6.228 -7.179 27.384 1.00 20.70 N ATOM 1313 CA ALA C 16 -5.730 -6.548 28.570 1.00 20.70 C ATOM 1314 C ALA C 16 -4.413 -5.837 28.218 1.00 20.70 C ATOM 1315 O ALA C 16 -4.070 -4.785 28.756 1.00 27.30 O ATOM 1316 CB ALA C 16 -5.508 -7.596 29.637 1.00 27.30 C ATOM 1317 HA ALA C 16 -6.444 -5.818 28.952 1.00 0.00 H ATOM 1318 HB1 ALA C 16 -6.452 -8.095 29.857 1.00 0.00 H ATOM 1319 HB2 ALA C 16 -4.783 -8.328 29.280 1.00 0.00 H ATOM 1320 HB3 ALA C 16 -5.129 -7.118 30.540 1.00 0.00 H ATOM 1321 H ALA C 16 -6.183 -8.215 27.305 1.00 0.00 H ATOM 1322 N TYR C 17 -3.653 -6.382 27.271 1.00 38.57 N ATOM 1323 CA TYR C 17 -2.492 -5.638 26.884 1.00 38.57 C ATOM 1324 C TYR C 17 -2.898 -4.244 26.289 1.00 38.57 C ATOM 1325 O TYR C 17 -2.350 -3.240 26.700 1.00 21.00 O ATOM 1326 CB TYR C 17 -1.614 -6.512 25.977 1.00 21.00 C ATOM 1327 CG TYR C 17 -0.622 -5.793 25.057 1.00 21.00 C ATOM 1328 CD1 TYR C 17 0.611 -5.352 25.543 1.00 21.00 C ATOM 1329 CD2 TYR C 17 -0.898 -5.688 23.686 1.00 21.00 C ATOM 1330 CE1 TYR C 17 1.509 -4.698 24.699 1.00 21.00 C ATOM 1331 CE2 TYR C 17 -0.043 -5.042 22.800 1.00 21.00 C ATOM 1332 CZ TYR C 17 1.155 -4.563 23.348 1.00 21.00 C ATOM 1333 OH TYR C 17 2.028 -3.913 22.518 1.00 21.00 O ATOM 1334 HA TYR C 17 -1.877 -5.390 27.749 1.00 0.00 H ATOM 1335 HB3 TYR C 17 -2.279 -7.101 25.346 1.00 0.00 H ATOM 1336 HB2 TYR C 17 -1.040 -7.179 26.620 1.00 0.00 H ATOM 1337 HD2 TYR C 17 -1.817 -6.129 23.301 1.00 0.00 H ATOM 1338 HE2 TYR C 17 -0.289 -4.916 21.746 1.00 0.00 H ATOM 1339 HE1 TYR C 17 2.453 -4.305 25.076 1.00 0.00 H ATOM 1340 HD1 TYR C 17 0.873 -5.520 26.588 1.00 0.00 H ATOM 1341 HH TYR C 17 2.825 -3.632 23.034 1.00 0.00 H ATOM 1342 H TYR C 17 -3.889 -7.297 26.836 1.00 0.00 H ATOM 1343 N HIS C 18 -3.867 -4.147 25.324 1.00 19.35 N ATOM 1344 CA HIS C 18 -4.299 -2.899 24.744 1.00 19.35 C ATOM 1345 C HIS C 18 -4.926 -2.026 25.827 1.00 19.35 C ATOM 1346 O HIS C 18 -4.825 -0.810 25.817 1.00 67.08 O ATOM 1347 CB HIS C 18 -5.297 -3.041 23.580 1.00 67.08 C ATOM 1348 CG HIS C 18 -4.790 -3.810 22.380 1.00 67.08 C ATOM 1349 ND1 HIS C 18 -4.486 -3.204 21.172 1.00 67.08 N ATOM 1350 CD2 HIS C 18 -4.631 -5.156 22.192 1.00 67.08 C ATOM 1351 CE1 HIS C 18 -4.077 -4.179 20.350 1.00 67.08 C ATOM 1352 NE2 HIS C 18 -4.174 -5.374 20.922 1.00 67.08 N ATOM 1353 HA HIS C 18 -3.402 -2.444 24.324 1.00 0.00 H ATOM 1354 HB2 HIS C 18 -6.183 -3.552 23.957 1.00 0.00 H ATOM 1355 HB3 HIS C 18 -5.570 -2.040 23.247 1.00 0.00 H ATOM 1356 HD2 HIS C 18 -4.835 -5.928 22.934 1.00 0.00 H ATOM 1357 HE1 HIS C 18 -3.710 -4.013 19.337 1.00 0.00 H ATOM 1358 H HIS C 18 -4.316 -5.024 24.991 1.00 0.00 H ATOM 1359 N LEU C 19 -5.545 -2.639 26.815 1.00 17.59 N ATOM 1360 CA LEU C 19 -6.223 -1.931 27.857 1.00 17.59 C ATOM 1361 C LEU C 19 -5.241 -1.400 28.844 1.00 17.59 C ATOM 1362 O LEU C 19 -5.552 -0.895 29.911 1.00 16.92 O ATOM 1363 CB LEU C 19 -7.263 -2.858 28.516 1.00 16.92 C ATOM 1364 CG LEU C 19 -8.547 -2.987 27.672 1.00 16.92 C ATOM 1365 CD1 LEU C 19 -9.683 -3.491 28.539 1.00 16.92 C ATOM 1366 CD2 LEU C 19 -8.916 -1.620 27.218 1.00 16.92 C ATOM 1367 HA LEU C 19 -6.753 -1.075 27.439 1.00 0.00 H ATOM 1368 HB2 LEU C 19 -6.823 -3.848 28.640 1.00 0.00 H ATOM 1369 HB3 LEU C 19 -7.525 -2.453 29.494 1.00 0.00 H ATOM 1370 HG LEU C 19 -8.378 -3.672 26.841 1.00 0.00 H ATOM 1371 HD21 LEU C 19 -9.090 -0.985 28.086 1.00 0.00 H ATOM 1372 HD22 LEU C 19 -8.104 -1.206 26.620 1.00 0.00 H ATOM 1373 HD23 LEU C 19 -9.823 -1.671 26.616 1.00 0.00 H ATOM 1374 HD11 LEU C 19 -9.421 -4.467 28.948 1.00 0.00 H ATOM 1375 HD12 LEU C 19 -9.856 -2.788 29.354 1.00 0.00 H ATOM 1376 HD13 LEU C 19 -10.587 -3.580 27.936 1.00 0.00 H ATOM 1377 H LEU C 19 -5.541 -3.679 26.839 1.00 0.00 H ATOM 1378 N GLU C 20 -3.973 -1.584 28.586 1.00 30.26 N ATOM 1379 CA GLU C 20 -3.116 -0.984 29.575 1.00 30.26 C ATOM 1380 C GLU C 20 -2.253 0.038 28.929 1.00 30.26 C ATOM 1381 O GLU C 20 -1.841 0.966 29.580 1.00 30.65 O ATOM 1382 CB GLU C 20 -2.407 -1.838 30.600 1.00 30.65 C ATOM 1383 CG GLU C 20 -3.022 -3.175 30.819 1.00 30.65 C ATOM 1384 CD GLU C 20 -2.003 -4.224 30.508 1.00 30.65 C ATOM 1385 OE1 GLU C 20 -1.573 -4.399 29.348 1.00 30.65 O ATOM 1386 OE2 GLU C 20 -1.735 -4.980 31.597 1.00 30.65 O ATOM 1387 HA GLU C 20 -3.824 -0.526 30.265 1.00 0.00 H ATOM 1388 HB2 GLU C 20 -1.379 -1.986 30.269 1.00 0.00 H ATOM 1389 HB3 GLU C 20 -2.408 -1.303 31.549 1.00 0.00 H ATOM 1390 HG2 GLU C 20 -3.340 -3.268 31.857 1.00 0.00 H ATOM 1391 HG3 GLU C 20 -3.885 -3.295 30.164 1.00 0.00 H ATOM 1392 H GLU C 20 -3.622 -2.106 27.758 1.00 0.00 H ATOM 1393 N ASN C 21 -2.152 -0.167 27.623 1.00 12.47 N ATOM 1394 CA ASN C 21 -1.437 0.670 26.731 1.00 12.47 C ATOM 1395 C ASN C 21 -2.293 1.889 26.486 1.00 12.47 C ATOM 1396 O ASN C 21 -1.927 2.778 25.685 1.00 33.32 O ATOM 1397 CB ASN C 21 -1.090 -0.009 25.393 1.00 33.32 C ATOM 1398 CG ASN C 21 -0.081 -1.177 25.512 1.00 33.32 C ATOM 1399 OD1 ASN C 21 0.211 -1.670 26.629 1.00 33.32 O ATOM 1400 ND2 ASN C 21 0.474 -1.583 24.355 1.00 33.32 N ATOM 1401 HA ASN C 21 -0.479 0.924 27.185 1.00 0.00 H ATOM 1402 HB2 ASN C 21 -2.011 -0.397 24.958 1.00 0.00 H ATOM 1403 HB3 ASN C 21 -0.665 0.743 24.729 1.00 0.00 H ATOM 1404 HD22 ASN C 21 0.193 -1.137 23.459 1.00 0.00 H ATOM 1405 HD21 ASN C 21 1.184 -2.343 24.357 1.00 0.00 H ATOM 1406 H ASN C 21 -2.631 -1.000 27.226 1.00 0.00 H ATOM 1407 N GLU C 22 -3.422 1.944 27.187 1.00 19.04 N ATOM 1408 CA GLU C 22 -4.372 3.027 26.976 1.00 19.04 C ATOM 1409 C GLU C 22 -4.814 3.637 28.272 1.00 19.04 C ATOM 1410 O GLU C 22 -4.859 4.835 28.489 1.00 30.88 O ATOM 1411 CB GLU C 22 -5.552 2.498 26.180 1.00 30.88 C ATOM 1412 CG GLU C 22 -5.322 2.640 24.672 1.00 30.88 C ATOM 1413 CD GLU C 22 -6.545 2.100 24.117 1.00 30.88 C ATOM 1414 OE1 GLU C 22 -7.107 1.275 24.767 1.00 30.88 O ATOM 1415 OE2 GLU C 22 -7.051 2.694 23.060 1.00 30.88 O ATOM 1416 HA GLU C 22 -3.885 3.823 26.412 1.00 0.00 H ATOM 1417 HB2 GLU C 22 -5.697 1.444 26.419 1.00 0.00 H ATOM 1418 HB3 GLU C 22 -6.445 3.058 26.456 1.00 0.00 H ATOM 1419 HG2 GLU C 22 -5.188 3.684 24.390 1.00 0.00 H ATOM 1420 HG3 GLU C 22 -4.455 2.064 24.349 1.00 0.00 H ATOM 1421 H GLU C 22 -3.628 1.207 27.892 1.00 0.00 H ATOM 1422 N VAL C 23 -5.030 2.775 29.197 1.00 13.59 N ATOM 1423 CA VAL C 23 -5.377 3.312 30.435 1.00 13.59 C ATOM 1424 C VAL C 23 -4.122 4.020 30.887 1.00 13.59 C ATOM 1425 O VAL C 23 -4.145 4.919 31.712 1.00 18.52 O ATOM 1426 CB VAL C 23 -5.930 2.340 31.456 1.00 18.52 C ATOM 1427 CG1 VAL C 23 -6.028 3.144 32.727 1.00 18.52 C ATOM 1428 CG2 VAL C 23 -7.356 1.849 31.170 1.00 18.52 C ATOM 1429 HA VAL C 23 -6.232 3.980 30.333 1.00 0.00 H ATOM 1430 HB VAL C 23 -5.285 1.462 31.474 1.00 0.00 H ATOM 1431 HG11 VAL C 23 -5.038 3.506 33.004 1.00 0.00 H ATOM 1432 HG12 VAL C 23 -6.695 3.992 32.569 1.00 0.00 H ATOM 1433 HG13 VAL C 23 -6.422 2.514 33.524 1.00 0.00 H ATOM 1434 HG21 VAL C 23 -8.035 2.702 31.147 1.00 0.00 H ATOM 1435 HG22 VAL C 23 -7.377 1.340 30.206 1.00 0.00 H ATOM 1436 HG23 VAL C 23 -7.665 1.158 31.954 1.00 0.00 H ATOM 1437 H VAL C 23 -4.952 1.751 29.035 1.00 0.00 H ATOM 1438 N ALA C 24 -2.988 3.622 30.350 1.00 66.45 N ATOM 1439 CA ALA C 24 -1.765 4.289 30.715 1.00 66.45 C ATOM 1440 C ALA C 24 -1.436 5.430 29.790 1.00 66.45 C ATOM 1441 O ALA C 24 -0.455 6.067 30.012 1.00 23.85 O ATOM 1442 CB ALA C 24 -0.596 3.349 30.911 1.00 23.85 C ATOM 1443 HA ALA C 24 -1.954 4.723 31.697 1.00 0.00 H ATOM 1444 HB1 ALA C 24 -0.830 2.641 31.706 1.00 0.00 H ATOM 1445 HB2 ALA C 24 -0.407 2.808 29.984 1.00 0.00 H ATOM 1446 HB3 ALA C 24 0.289 3.924 31.184 1.00 0.00 H ATOM 1447 H ALA C 24 -2.975 2.835 29.670 1.00 0.00 H ATOM 1448 N ARG C 25 -2.256 5.692 28.773 1.00 47.56 N ATOM 1449 CA ARG C 25 -2.106 6.859 27.908 1.00 47.56 C ATOM 1450 C ARG C 25 -2.874 8.019 28.575 1.00 47.56 C ATOM 1451 O ARG C 25 -2.317 9.012 29.125 1.00 38.59 O ATOM 1452 CB ARG C 25 -2.521 6.622 26.458 1.00 38.59 C ATOM 1453 CG ARG C 25 -1.272 6.506 25.552 1.00 38.59 C ATOM 1454 CD ARG C 25 -1.545 6.165 24.090 1.00 38.59 C ATOM 1455 NE ARG C 25 -2.438 7.138 23.519 1.00 38.59 N ATOM 1456 CZ ARG C 25 -2.073 8.025 22.577 1.00 38.59 C ATOM 1457 NH1 ARG C 25 -0.847 8.046 22.049 1.00 38.59 N ATOM 1458 NH2 ARG C 25 -2.963 8.920 22.115 1.00 38.59 N ATOM 1459 HA ARG C 25 -1.048 7.105 27.817 1.00 0.00 H ATOM 1460 HB2 ARG C 25 -3.098 5.699 26.395 1.00 0.00 H ATOM 1461 HB3 ARG C 25 -3.135 7.456 26.119 1.00 0.00 H ATOM 1462 HG2 ARG C 25 -0.747 7.461 25.581 1.00 0.00 H ATOM 1463 HG3 ARG C 25 -0.630 5.727 25.964 1.00 0.00 H ATOM 1464 HD2 ARG C 25 -2.000 5.176 24.028 1.00 0.00 H ATOM 1465 HD3 ARG C 25 -0.606 6.167 23.537 1.00 0.00 H ATOM 1466 HE ARG C 25 -3.422 7.156 23.854 1.00 0.00 H ATOM 1467 HH12 ARG C 25 -0.606 8.750 21.322 1.00 0.00 H ATOM 1468 HH11 ARG C 25 -0.133 7.359 22.365 1.00 0.00 H ATOM 1469 HH22 ARG C 25 -2.680 9.606 21.386 1.00 0.00 H ATOM 1470 HH21 ARG C 25 -3.934 8.927 22.486 1.00 0.00 H ATOM 1471 H ARG C 25 -3.040 5.034 28.586 1.00 0.00 H ATOM 1472 N LEU C 26 -4.183 7.817 28.619 1.00 18.68 N ATOM 1473 CA LEU C 26 -5.042 8.692 29.329 1.00 18.68 C ATOM 1474 C LEU C 26 -4.285 9.245 30.521 1.00 18.68 C ATOM 1475 O LEU C 26 -3.877 10.397 30.554 1.00 43.58 O ATOM 1476 CB LEU C 26 -6.156 7.805 29.847 1.00 43.58 C ATOM 1477 CG LEU C 26 -7.073 7.334 28.726 1.00 43.58 C ATOM 1478 CD1 LEU C 26 -8.270 6.585 29.357 1.00 43.58 C ATOM 1479 CD2 LEU C 26 -7.506 8.546 27.869 1.00 43.58 C ATOM 1480 HA LEU C 26 -5.406 9.515 28.714 1.00 0.00 H ATOM 1481 HB2 LEU C 26 -5.717 6.934 30.333 1.00 0.00 H ATOM 1482 HB3 LEU C 26 -6.745 8.366 30.573 1.00 0.00 H ATOM 1483 HG LEU C 26 -6.560 6.643 28.057 1.00 0.00 H ATOM 1484 HD21 LEU C 26 -8.037 9.262 28.496 1.00 0.00 H ATOM 1485 HD22 LEU C 26 -6.623 9.021 27.441 1.00 0.00 H ATOM 1486 HD23 LEU C 26 -8.162 8.207 27.067 1.00 0.00 H ATOM 1487 HD11 LEU C 26 -7.903 5.729 29.924 1.00 0.00 H ATOM 1488 HD12 LEU C 26 -8.809 7.259 30.022 1.00 0.00 H ATOM 1489 HD13 LEU C 26 -8.938 6.240 28.568 1.00 0.00 H ATOM 1490 H LEU C 26 -4.589 6.999 28.122 1.00 0.00 H ATOM 1491 N LYS C 27 -4.095 8.376 31.482 1.00 15.59 N ATOM 1492 CA LYS C 27 -3.391 8.649 32.745 1.00 15.59 C ATOM 1493 C LYS C 27 -2.280 9.683 32.592 1.00 15.59 C ATOM 1494 O LYS C 27 -2.224 10.614 33.349 1.00 49.24 O ATOM 1495 CB LYS C 27 -2.942 7.370 33.478 1.00 49.24 C ATOM 1496 CG LYS C 27 -1.633 7.451 34.257 1.00 49.24 C ATOM 1497 CD LYS C 27 -1.084 6.115 34.797 1.00 49.24 C ATOM 1498 CE LYS C 27 -1.300 5.961 36.315 1.00 49.24 C ATOM 1499 NZ LYS C 27 -0.266 5.197 37.063 1.00 49.24 N ATOM 1500 HA LYS C 27 -4.128 9.109 33.403 1.00 0.00 H ATOM 1501 HB2 LYS C 27 -3.729 7.098 34.181 1.00 0.00 H ATOM 1502 HB3 LYS C 27 -2.835 6.582 32.733 1.00 0.00 H ATOM 1503 HG2 LYS C 27 -0.878 7.880 33.598 1.00 0.00 H ATOM 1504 HG3 LYS C 27 -1.791 8.115 35.107 1.00 0.00 H ATOM 1505 HD2 LYS C 27 -1.591 5.296 34.286 1.00 0.00 H ATOM 1506 HD3 LYS C 27 -0.015 6.066 34.589 1.00 0.00 H ATOM 1507 HE2 LYS C 27 -2.255 5.457 36.464 1.00 0.00 H ATOM 1508 HE3 LYS C 27 -1.348 6.961 36.745 1.00 0.00 H ATOM 1509 HZ1 LYS C 27 -0.211 4.230 36.685 1.00 0.00 H ATOM 1510 HZ2 LYS C 27 0.656 5.666 36.954 1.00 0.00 H ATOM 1511 HZ3 LYS C 27 -0.523 5.163 38.070 1.00 0.00 H ATOM 1512 H LYS C 27 -4.472 7.417 31.341 1.00 0.00 H ATOM 1513 N LYS C 28 -1.442 9.521 31.590 1.00 37.13 N ATOM 1514 CA LYS C 28 -0.413 10.466 31.378 1.00 37.13 C ATOM 1515 C LYS C 28 -1.032 11.783 30.930 1.00 37.13 C ATOM 1516 O LYS C 28 -0.930 12.785 31.674 1.00 50.67 O ATOM 1517 CB LYS C 28 0.648 9.948 30.476 1.00 50.67 C ATOM 1518 CG LYS C 28 1.605 9.197 31.355 1.00 50.67 C ATOM 1519 CD LYS C 28 3.006 9.044 30.781 1.00 50.67 C ATOM 1520 CE LYS C 28 3.676 7.717 31.152 1.00 50.67 C ATOM 1521 NZ LYS C 28 4.546 7.143 30.074 1.00 50.67 N ATOM 1522 HA LYS C 28 0.111 10.656 32.315 1.00 0.00 H ATOM 1523 HB2 LYS C 28 0.218 9.282 29.728 1.00 0.00 H ATOM 1524 HB3 LYS C 28 1.158 10.772 29.977 1.00 0.00 H ATOM 1525 HG2 LYS C 28 1.682 9.727 32.304 1.00 0.00 H ATOM 1526 HG3 LYS C 28 1.198 8.201 31.528 1.00 0.00 H ATOM 1527 HD2 LYS C 28 2.943 9.107 29.695 1.00 0.00 H ATOM 1528 HD3 LYS C 28 3.624 9.860 31.156 1.00 0.00 H ATOM 1529 HE2 LYS C 28 2.895 6.993 31.383 1.00 0.00 H ATOM 1530 HE3 LYS C 28 4.291 7.880 32.037 1.00 0.00 H ATOM 1531 HZ1 LYS C 28 3.973 6.968 29.224 1.00 0.00 H ATOM 1532 HZ2 LYS C 28 5.306 7.816 29.849 1.00 0.00 H ATOM 1533 HZ3 LYS C 28 4.960 6.248 30.404 1.00 0.00 H ATOM 1534 H LYS C 28 -1.537 8.701 30.957 1.00 0.00 H ATOM 1535 N LEU C 29 -1.729 11.776 29.752 1.00 17.04 N ATOM 1536 CA LEU C 29 -2.358 12.958 29.208 1.00 17.04 C ATOM 1537 C LEU C 29 -3.313 13.670 30.115 1.00 17.04 C ATOM 1538 O LEU C 29 -3.417 14.880 30.043 1.00 21.55 O ATOM 1539 CB LEU C 29 -3.156 12.688 27.965 1.00 21.55 C ATOM 1540 CG LEU C 29 -2.658 11.622 27.044 1.00 21.55 C ATOM 1541 CD1 LEU C 29 -3.216 12.007 25.678 1.00 21.55 C ATOM 1542 CD2 LEU C 29 -1.136 11.556 27.028 1.00 21.55 C ATOM 1543 HA LEU C 29 -1.483 13.581 29.024 1.00 0.00 H ATOM 1544 HB2 LEU C 29 -4.162 12.407 28.277 1.00 0.00 H ATOM 1545 HB3 LEU C 29 -3.200 13.617 27.396 1.00 0.00 H ATOM 1546 HG LEU C 29 -2.981 10.629 27.356 1.00 0.00 H ATOM 1547 HD21 LEU C 29 -0.736 12.513 26.694 1.00 0.00 H ATOM 1548 HD22 LEU C 29 -0.772 11.339 28.032 1.00 0.00 H ATOM 1549 HD23 LEU C 29 -0.815 10.768 26.346 1.00 0.00 H ATOM 1550 HD11 LEU C 29 -4.305 12.029 25.725 1.00 0.00 H ATOM 1551 HD12 LEU C 29 -2.843 12.993 25.399 1.00 0.00 H ATOM 1552 HD13 LEU C 29 -2.897 11.274 24.937 1.00 0.00 H ATOM 1553 H LEU C 29 -1.809 10.882 29.226 1.00 0.00 H ATOM 1554 N VAL C 30 -4.163 12.943 30.823 1.00 19.49 N ATOM 1555 CA VAL C 30 -5.167 13.664 31.644 1.00 19.49 C ATOM 1556 C VAL C 30 -4.482 14.446 32.711 1.00 19.49 C ATOM 1557 O VAL C 30 -4.237 15.531 32.295 1.00 14.88 O ATOM 1558 CB VAL C 30 -6.359 12.942 32.262 1.00 14.88 C ATOM 1559 CG1 VAL C 30 -7.026 12.009 31.265 1.00 14.88 C ATOM 1560 CG2 VAL C 30 -5.968 12.328 33.611 1.00 14.88 C ATOM 1561 HA VAL C 30 -5.651 14.257 30.868 1.00 0.00 H ATOM 1562 HB VAL C 30 -7.148 13.655 32.501 1.00 0.00 H ATOM 1563 HG11 VAL C 30 -7.378 12.585 30.409 1.00 0.00 H ATOM 1564 HG12 VAL C 30 -6.306 11.262 30.931 1.00 0.00 H ATOM 1565 HG13 VAL C 30 -7.871 11.513 31.743 1.00 0.00 H ATOM 1566 HG21 VAL C 30 -5.157 11.615 33.463 1.00 0.00 H ATOM 1567 HG22 VAL C 30 -5.640 13.118 34.287 1.00 0.00 H ATOM 1568 HG23 VAL C 30 -6.830 11.816 34.039 1.00 0.00 H ATOM 1569 H VAL C 30 -4.128 11.904 30.804 1.00 0.00 H TER 1570 VAL C 30 HETATM 1571 O HOH 1 -18.296 -5.419 35.083 1.00 40.47 O HETATM 1572 O HOH 2 -21.262 -2.794 23.674 1.00 40.47 O HETATM 1573 O HOH 3 -6.380 5.895 22.449 1.00 40.47 O HETATM 1574 O HOH 4 -16.073 -1.133 23.188 1.00 40.47 O HETATM 1575 O HOH 5 -12.216 -18.053 42.925 1.00 40.47 O HETATM 1576 O HOH 6 -14.426 -13.902 42.597 1.00 40.47 O HETATM 1577 O HOH 7 -20.531 5.474 33.516 1.00 40.47 O HETATM 1578 O HOH 8 -11.284 10.550 22.180 1.00 40.47 O HETATM 1579 O HOH 9 -15.575 -7.775 25.998 1.00 40.47 O HETATM 1580 O HOH 10 -16.239 17.256 28.994 1.00 40.47 O HETATM 1581 O HOH 11 -17.343 9.493 32.810 1.00 40.47 O HETATM 1582 O HOH 12 -21.359 -15.637 37.103 1.00 40.47 O HETATM 1583 O HOH 13 -15.851 15.051 31.274 1.00 40.47 O HETATM 1584 O HOH 14 -0.202 -26.049 27.299 1.00 40.47 O HETATM 1585 O HOH 15 -14.597 0.880 37.046 1.00 40.47 O HETATM 1586 O HOH 16 -3.288 -7.107 41.039 1.00 40.47 O HETATM 1587 O HOH 17 4.066 -20.697 37.163 1.00 40.47 O HETATM 1588 O HOH 18 -1.278 -7.279 37.257 1.00 40.47 O HETATM 1589 O HOH 19 -7.310 -12.540 42.040 1.00 40.47 O HETATM 1590 O HOH 20 -6.371 -13.447 44.781 1.00 40.47 O HETATM 1591 O HOH 21 -1.455 -1.050 22.836 1.00 40.47 O HETATM 1592 O HOH 22 1.925 4.826 28.114 1.00 40.47 O HETATM 1593 O HOH 23 -6.949 -22.547 18.284 1.00 40.47 O HETATM 1594 O HOH 24 -8.953 -4.260 24.493 1.00 40.47 O HETATM 1595 O HOH 25 1.239 -5.071 28.242 1.00 40.47 O HETATM 1596 O HOH 26 -2.454 1.060 33.941 1.00 40.47 O HETATM 1597 O HOH 27 0.348 16.221 34.415 1.00 40.47 O HETATM 1598 O HOH 28 -10.700 1.001 23.875 1.00 40.47 O HETATM 1599 O HOH 29 0.378 -1.938 33.982 1.00 40.47 O HETATM 1600 C1 BNZ A 30 -10.248 -9.558 31.480 1.00 -0.06 C HETATM 1601 C2 BNZ A 30 -10.010 -8.648 32.511 1.00 -0.06 C HETATM 1602 C3 BNZ A 30 -8.779 -7.983 32.540 1.00 -0.06 C HETATM 1603 C4 BNZ A 30 -7.827 -8.144 31.532 1.00 -0.06 C HETATM 1604 C5 BNZ A 30 -8.124 -8.997 30.470 1.00 -0.06 C HETATM 1605 C6 BNZ A 30 -9.315 -9.722 30.458 1.00 -0.06 C HETATM 1606 H6 BNZ A 30 -9.516 -10.416 29.650 1.00 0.06 H HETATM 1607 H5 BNZ A 30 -7.424 -9.097 29.648 1.00 0.06 H HETATM 1608 H4 BNZ A 30 -6.880 -7.619 31.574 1.00 0.06 H HETATM 1609 H3 BNZ A 30 -8.558 -7.323 33.371 1.00 0.06 H HETATM 1610 H2 BNZ A 30 -10.760 -8.461 33.271 1.00 0.06 H HETATM 1611 H1 BNZ A 30 -11.163 -10.140 31.474 1.00 0.06 H CONECT 1 2 24 25 26 CONECT 24 1 CONECT 25 1 CONECT 26 1 CONECT 534 535 557 558 559 CONECT 557 534 CONECT 558 534 CONECT 559 534 CONECT 1060 1061 1068 1069 1070 CONECT 1068 1060 CONECT 1069 1060 CONECT 1070 1060 CONECT 1600 1601 1605 1611 CONECT 1601 1600 1602 1610 CONECT 1602 1601 1603 1609 CONECT 1603 1602 1604 1608 CONECT 1604 1603 1605 1607 CONECT 1605 1600 1604 1606 CONECT 1606 1605 CONECT 1607 1604 CONECT 1608 1603 CONECT 1609 1602 CONECT 1610 1601 CONECT 1611 1600 MASTER 0 0 0 0 0 0 0 0 1608 3 24 9 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1swi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1p4b
RCSB PDB
PDBbind
12aa, >1P4B_3|Chain... at 91%
3p8m
RCSB PDB
PDBbind
46aa, >3P8M_2|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1l83
RCSB PDB
PDBbind
BNZ
220l
RCSB PDB
PDBbind
BNZ
223l
RCSB PDB
PDBbind
BNZ
2z9g
RCSB PDB
PDBbind
BNZ
4i7j
RCSB PDB
PDBbind
BNZ
4w52
RCSB PDB
PDBbind
BNZ
Entry Information
PDB ID
1swi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
gcn4p1
Ligand Name
BNZ
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=800uM
Release Year
1996
Protein/NA Sequence
Check fasta file
Primary Reference
Nat.Struct.Biol. v3 pp. 510-5, 1996
Ligand Properties
Formula
C
6
H
6
Molecular Weight
78.112
Exact Mass
78.047
No. of atoms
12
No. of bonds
12
Polar Surface Area
0
LOGP Value
1.92 (
Computed with XLOGP3
)
1.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 1
Canonical SMILES
c1ccccc1
InChI String
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
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):
P03069
Entrez Gene ID
NCBI Entrez Gene ID:
856709
ASD
Information of known allosteric effects of PDB entries
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