Browse entries in the PDBbind-CN Database
HEADER 2R5D_COMPLEX COMPND 2R5D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 A 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 A 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 A 46 GLN LEU GLN ALA ARG ILE LEU SEQRES 1 B 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 B 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 B 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 B 46 GLN LEU GLN ALA ARG ILE LEU SEQRES 1 C 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 C 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 C 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 C 46 GLN LEU GLN ALA ARG ILE LEU HET ACE A 0 6 HET ACE B 0 6 HET ACE C 0 6 HET DLY A 325 229 HETATM 1 CA ACE A 0 37.804 -4.529 -16.580 1.00 37.09 C HETATM 2 C ACE A 0 36.404 -4.057 -16.304 1.00 37.50 C HETATM 3 O ACE A 0 35.769 -4.498 -15.335 1.00 36.99 O HETATM 4 H3 ACE A 0 38.187 -4.027 -17.468 1.00 0.00 H HETATM 5 H2 ACE A 0 37.797 -5.606 -16.745 1.00 0.00 H HETATM 6 H1 ACE A 0 38.440 -4.295 -15.726 1.00 0.00 H ATOM 7 N ARG A 1 35.946 -3.105 -17.123 1.00 36.92 N ATOM 8 CA ARG A 1 34.777 -2.299 -16.786 1.00 37.36 C ATOM 9 C ARG A 1 33.507 -3.141 -16.842 1.00 37.38 C ATOM 10 O ARG A 1 32.598 -2.967 -16.013 1.00 36.09 O ATOM 11 CB ARG A 1 34.663 -1.062 -17.685 1.00 38.18 C ATOM 12 CG ARG A 1 35.509 0.109 -17.230 1.00 38.42 C ATOM 13 CD ARG A 1 34.702 1.400 -17.241 1.00 40.18 C ATOM 14 NE ARG A 1 35.203 2.317 -18.233 1.00 43.42 N ATOM 15 CZ ARG A 1 34.692 3.503 -18.535 1.00 43.09 C ATOM 16 NH1 ARG A 1 33.619 3.973 -17.923 1.00 40.05 N ATOM 17 NH2 ARG A 1 35.282 4.226 -19.472 1.00 41.71 N ATOM 18 HA ARG A 1 34.904 -1.943 -15.764 1.00 0.00 H ATOM 19 HB2 ARG A 1 34.974 -1.340 -18.692 1.00 0.00 H ATOM 20 HB3 ARG A 1 33.620 -0.746 -17.703 1.00 0.00 H ATOM 21 HG2 ARG A 1 35.866 -0.080 -16.218 1.00 0.00 H ATOM 22 HG3 ARG A 1 36.362 0.215 -17.901 1.00 0.00 H ATOM 23 HD2 ARG A 1 34.766 1.868 -16.259 1.00 0.00 H ATOM 24 HD3 ARG A 1 33.661 1.167 -17.465 1.00 0.00 H ATOM 25 HE ARG A 1 36.047 2.020 -18.763 1.00 0.00 H ATOM 26 HH12 ARG A 1 33.240 4.907 -18.181 1.00 0.00 H ATOM 27 HH11 ARG A 1 33.153 3.409 -17.184 1.00 0.00 H ATOM 28 HH22 ARG A 1 34.900 5.159 -19.726 1.00 0.00 H ATOM 29 HH21 ARG A 1 36.128 3.861 -19.955 1.00 0.00 H ATOM 30 H ARG A 1 36.436 -2.934 -18.024 1.00 0.00 H ATOM 31 N MET A 2 33.447 -4.078 -17.785 1.00 37.09 N ATOM 32 CA MET A 2 32.301 -4.991 -17.826 1.00 38.38 C ATOM 33 C MET A 2 32.246 -5.913 -16.610 1.00 37.04 C ATOM 34 O MET A 2 31.163 -6.134 -16.074 1.00 36.17 O ATOM 35 CB MET A 2 32.245 -5.797 -19.122 1.00 38.53 C ATOM 36 CG MET A 2 31.214 -5.258 -20.095 1.00 39.41 C ATOM 37 SD MET A 2 30.950 -6.472 -21.366 1.00 44.40 S ATOM 38 CE MET A 2 29.196 -6.340 -21.618 1.00 41.75 C ATOM 39 HA MET A 2 31.416 -4.356 -17.796 1.00 0.00 H ATOM 40 HB2 MET A 2 33.225 -5.765 -19.597 1.00 0.00 H ATOM 41 HB3 MET A 2 31.993 -6.830 -18.881 1.00 0.00 H ATOM 42 HG2 MET A 2 31.577 -4.332 -20.540 1.00 0.00 H ATOM 43 HG3 MET A 2 30.278 -5.065 -19.570 1.00 0.00 H ATOM 44 HE1 MET A 2 28.678 -6.569 -20.687 1.00 0.00 H ATOM 45 HE2 MET A 2 28.951 -5.325 -21.931 1.00 0.00 H ATOM 46 HE3 MET A 2 28.887 -7.045 -22.390 1.00 0.00 H ATOM 47 H MET A 2 34.208 -4.162 -18.488 1.00 0.00 H ATOM 48 N LYS A 3 33.395 -6.450 -16.186 1.00 36.11 N ATOM 49 CA LYS A 3 33.442 -7.295 -14.984 1.00 36.10 C ATOM 50 C LYS A 3 32.953 -6.539 -13.738 1.00 35.23 C ATOM 51 O LYS A 3 32.148 -7.067 -12.953 1.00 35.11 O ATOM 52 CB LYS A 3 34.845 -7.864 -14.751 1.00 36.73 C ATOM 53 CG LYS A 3 34.973 -8.736 -13.500 1.00 39.17 C ATOM 54 CD LYS A 3 34.117 -9.987 -13.581 1.00 41.85 C ATOM 55 CE LYS A 3 34.443 -10.951 -12.457 1.00 43.99 C ATOM 56 NZ LYS A 3 33.523 -12.118 -12.538 1.00 47.00 N ATOM 57 HA LYS A 3 32.763 -8.130 -15.158 1.00 0.00 H ATOM 58 HB2 LYS A 3 35.117 -8.468 -15.617 1.00 0.00 H ATOM 59 HB3 LYS A 3 35.541 -7.030 -14.658 1.00 0.00 H ATOM 60 HG2 LYS A 3 36.016 -9.031 -13.383 1.00 0.00 H ATOM 61 HG3 LYS A 3 34.662 -8.153 -12.633 1.00 0.00 H ATOM 62 HD2 LYS A 3 33.067 -9.704 -13.513 1.00 0.00 H ATOM 63 HD3 LYS A 3 34.298 -10.480 -14.536 1.00 0.00 H ATOM 64 HE2 LYS A 3 34.315 -10.450 -11.497 1.00 0.00 H ATOM 65 HE3 LYS A 3 35.474 -11.291 -12.554 1.00 0.00 H ATOM 66 HZ1 LYS A 3 32.540 -11.790 -12.446 1.00 0.00 H ATOM 67 HZ2 LYS A 3 33.647 -12.593 -13.455 1.00 0.00 H ATOM 68 HZ3 LYS A 3 33.741 -12.784 -11.769 1.00 0.00 H ATOM 69 H LYS A 3 34.271 -6.267 -16.716 1.00 0.00 H ATOM 70 N GLN A 4 33.438 -5.311 -13.568 1.00 34.28 N ATOM 71 CA GLN A 4 33.013 -4.450 -12.445 1.00 34.52 C ATOM 72 C GLN A 4 31.493 -4.237 -12.416 1.00 33.27 C ATOM 73 O GLN A 4 30.872 -4.277 -11.347 1.00 32.16 O ATOM 74 CB GLN A 4 33.725 -3.103 -12.515 1.00 35.37 C ATOM 75 CG GLN A 4 34.743 -2.868 -11.424 1.00 41.03 C ATOM 76 CD GLN A 4 34.135 -2.160 -10.219 1.00 45.25 C ATOM 77 OE1 GLN A 4 33.303 -2.724 -9.490 1.00 50.82 O ATOM 78 NE2 GLN A 4 34.539 -0.913 -10.008 1.00 47.35 N ATOM 79 HA GLN A 4 33.289 -4.964 -11.524 1.00 0.00 H ATOM 80 HB2 GLN A 4 34.236 -3.039 -13.476 1.00 0.00 H ATOM 81 HB3 GLN A 4 32.972 -2.317 -12.452 1.00 0.00 H ATOM 82 HG2 GLN A 4 35.143 -3.830 -11.103 1.00 0.00 H ATOM 83 HG3 GLN A 4 35.551 -2.254 -11.822 1.00 0.00 H ATOM 84 HE22 GLN A 4 35.238 -0.478 -10.643 1.00 0.00 H ATOM 85 HE21 GLN A 4 34.156 -0.371 -9.207 1.00 0.00 H ATOM 86 H GLN A 4 34.137 -4.947 -14.246 1.00 0.00 H ATOM 87 N ILE A 5 30.915 -3.984 -13.590 1.00 32.20 N ATOM 88 CA ILE A 5 29.460 -3.819 -13.741 1.00 31.35 C ATOM 89 C ILE A 5 28.712 -5.089 -13.289 1.00 31.40 C ATOM 90 O ILE A 5 27.754 -5.030 -12.473 1.00 30.77 O ATOM 91 CB ILE A 5 29.113 -3.394 -15.204 1.00 30.67 C ATOM 92 CG1 ILE A 5 29.488 -1.914 -15.433 1.00 30.18 C ATOM 93 CG2 ILE A 5 27.647 -3.613 -15.537 1.00 30.31 C ATOM 94 CD1 ILE A 5 29.677 -1.526 -16.915 1.00 30.94 C ATOM 95 HA ILE A 5 29.120 -3.016 -13.087 1.00 0.00 H ATOM 96 HB ILE A 5 29.698 -4.029 -15.870 1.00 0.00 H ATOM 97 HG12 ILE A 5 28.695 -1.293 -15.016 1.00 0.00 H ATOM 98 HG13 ILE A 5 30.421 -1.713 -14.906 1.00 0.00 H ATOM 99 HD11 ILE A 5 30.476 -2.128 -17.348 1.00 0.00 H ATOM 100 HD12 ILE A 5 28.749 -1.707 -17.458 1.00 0.00 H ATOM 101 HD13 ILE A 5 29.938 -0.470 -16.982 1.00 0.00 H ATOM 102 HG21 ILE A 5 27.404 -4.670 -15.426 1.00 0.00 H ATOM 103 HG22 ILE A 5 27.030 -3.024 -14.859 1.00 0.00 H ATOM 104 HG23 ILE A 5 27.459 -3.302 -16.565 1.00 0.00 H ATOM 105 H ILE A 5 31.517 -3.900 -14.434 1.00 0.00 H ATOM 106 N GLU A 6 29.175 -6.229 -13.784 1.00 31.53 N ATOM 107 CA GLU A 6 28.568 -7.520 -13.455 1.00 32.19 C ATOM 108 C GLU A 6 28.615 -7.877 -11.976 1.00 33.04 C ATOM 109 O GLU A 6 27.664 -8.462 -11.461 1.00 33.49 O ATOM 110 CB GLU A 6 29.223 -8.633 -14.266 1.00 32.16 C ATOM 111 CG GLU A 6 28.822 -8.585 -15.718 1.00 32.45 C ATOM 112 CD GLU A 6 29.742 -9.404 -16.607 1.00 32.58 C ATOM 113 OE1 GLU A 6 29.342 -9.670 -17.760 1.00 35.91 O ATOM 114 OE2 GLU A 6 30.863 -9.778 -16.168 1.00 36.69 O ATOM 115 HA GLU A 6 27.514 -7.421 -13.714 1.00 0.00 H ATOM 116 HB2 GLU A 6 30.306 -8.529 -14.196 1.00 0.00 H ATOM 117 HB3 GLU A 6 28.924 -9.595 -13.850 1.00 0.00 H ATOM 118 HG2 GLU A 6 27.808 -8.973 -15.813 1.00 0.00 H ATOM 119 HG3 GLU A 6 28.845 -7.548 -16.053 1.00 0.00 H ATOM 120 H GLU A 6 29.994 -6.205 -14.425 1.00 0.00 H ATOM 121 N ASP A 7 29.718 -7.528 -11.307 1.00 32.98 N ATOM 122 CA ASP A 7 29.878 -7.784 -9.876 1.00 33.35 C ATOM 123 C ASP A 7 28.898 -6.940 -9.071 1.00 33.07 C ATOM 124 O ASP A 7 28.267 -7.443 -8.137 1.00 33.49 O ATOM 125 CB ASP A 7 31.298 -7.460 -9.419 1.00 33.53 C ATOM 126 CG ASP A 7 32.307 -8.509 -9.834 1.00 36.85 C ATOM 127 OD1 ASP A 7 33.520 -8.240 -9.657 1.00 38.95 O ATOM 128 OD2 ASP A 7 31.902 -9.591 -10.331 1.00 39.24 O ATOM 129 HA ASP A 7 29.678 -8.842 -9.707 1.00 0.00 H ATOM 130 HB2 ASP A 7 31.593 -6.504 -9.852 1.00 0.00 H ATOM 131 HB3 ASP A 7 31.304 -7.383 -8.332 1.00 0.00 H ATOM 132 H ASP A 7 30.490 -7.058 -11.822 1.00 0.00 H ATOM 133 N LYS A 8 28.777 -5.662 -9.436 1.00 32.60 N ATOM 134 CA LYS A 8 27.824 -4.762 -8.770 1.00 32.18 C ATOM 135 C LYS A 8 26.388 -5.213 -8.988 1.00 31.83 C ATOM 136 O LYS A 8 25.573 -5.143 -8.059 1.00 31.59 O ATOM 137 CB LYS A 8 27.991 -3.312 -9.234 1.00 32.45 C ATOM 138 CG LYS A 8 29.261 -2.635 -8.739 1.00 34.65 C ATOM 139 CD LYS A 8 29.397 -1.249 -9.330 1.00 39.63 C ATOM 140 CE LYS A 8 30.743 -0.590 -8.963 1.00 41.84 C ATOM 141 NZ LYS A 8 30.916 -0.421 -7.500 1.00 46.38 N ATOM 142 HA LYS A 8 28.046 -4.807 -7.704 1.00 0.00 H ATOM 143 HB2 LYS A 8 28.002 -3.302 -10.324 1.00 0.00 H ATOM 144 HB3 LYS A 8 27.137 -2.738 -8.875 1.00 0.00 H ATOM 145 HG2 LYS A 8 29.225 -2.558 -7.652 1.00 0.00 H ATOM 146 HG3 LYS A 8 30.123 -3.235 -9.031 1.00 0.00 H ATOM 147 HD2 LYS A 8 29.325 -1.321 -10.415 1.00 0.00 H ATOM 148 HD3 LYS A 8 28.586 -0.625 -8.954 1.00 0.00 H ATOM 149 HE2 LYS A 8 30.792 0.391 -9.436 1.00 0.00 H ATOM 150 HE3 LYS A 8 31.552 -1.215 -9.340 1.00 0.00 H ATOM 151 HZ1 LYS A 8 30.154 0.181 -7.129 1.00 0.00 H ATOM 152 HZ2 LYS A 8 30.879 -1.352 -7.038 1.00 0.00 H ATOM 153 HZ3 LYS A 8 31.836 0.026 -7.310 1.00 0.00 H ATOM 154 H LYS A 8 29.369 -5.295 -10.208 1.00 0.00 H ATOM 155 N ILE A 9 26.073 -5.683 -10.200 1.00 31.23 N ATOM 156 CA ILE A 9 24.726 -6.202 -10.496 1.00 31.96 C ATOM 157 C ILE A 9 24.378 -7.380 -9.590 1.00 33.15 C ATOM 158 O ILE A 9 23.273 -7.417 -9.002 1.00 32.69 O ATOM 159 CB ILE A 9 24.563 -6.604 -11.981 1.00 31.42 C ATOM 160 CG1 ILE A 9 24.437 -5.343 -12.842 1.00 31.01 C ATOM 161 CG2 ILE A 9 23.344 -7.545 -12.164 1.00 31.03 C ATOM 162 CD1 ILE A 9 24.318 -5.602 -14.360 1.00 31.83 C ATOM 163 HA ILE A 9 24.030 -5.387 -10.298 1.00 0.00 H ATOM 164 HB ILE A 9 25.446 -7.155 -12.305 1.00 0.00 H ATOM 165 HG12 ILE A 9 23.548 -4.800 -12.520 1.00 0.00 H ATOM 166 HG13 ILE A 9 25.320 -4.726 -12.671 1.00 0.00 H ATOM 167 HD11 ILE A 9 25.205 -6.132 -14.707 1.00 0.00 H ATOM 168 HD12 ILE A 9 23.432 -6.206 -14.556 1.00 0.00 H ATOM 169 HD13 ILE A 9 24.234 -4.650 -14.884 1.00 0.00 H ATOM 170 HG21 ILE A 9 23.490 -8.446 -11.569 1.00 0.00 H ATOM 171 HG22 ILE A 9 22.439 -7.033 -11.836 1.00 0.00 H ATOM 172 HG23 ILE A 9 23.249 -7.814 -13.216 1.00 0.00 H ATOM 173 H ILE A 9 26.794 -5.682 -10.949 1.00 0.00 H ATOM 174 N GLU A 10 25.310 -8.322 -9.459 1.00 33.98 N ATOM 175 CA GLU A 10 25.138 -9.435 -8.504 1.00 35.30 C ATOM 176 C GLU A 10 24.874 -8.963 -7.067 1.00 35.64 C ATOM 177 O GLU A 10 23.978 -9.488 -6.389 1.00 34.27 O ATOM 178 CB GLU A 10 26.352 -10.360 -8.514 1.00 36.27 C ATOM 179 CG GLU A 10 26.187 -11.576 -9.387 1.00 40.65 C ATOM 180 CD GLU A 10 27.412 -12.458 -9.344 1.00 46.13 C ATOM 181 OE1 GLU A 10 28.402 -12.125 -10.033 1.00 47.57 O ATOM 182 OE2 GLU A 10 27.384 -13.477 -8.616 1.00 48.58 O ATOM 183 HA GLU A 10 24.255 -9.978 -8.841 1.00 0.00 H ATOM 184 HB2 GLU A 10 27.212 -9.794 -8.873 1.00 0.00 H ATOM 185 HB3 GLU A 10 26.538 -10.693 -7.493 1.00 0.00 H ATOM 186 HG2 GLU A 10 25.326 -12.148 -9.040 1.00 0.00 H ATOM 187 HG3 GLU A 10 26.018 -11.254 -10.415 1.00 0.00 H ATOM 188 H GLU A 10 26.172 -8.273 -10.038 1.00 0.00 H ATOM 189 N GLU A 11 25.654 -7.982 -6.614 1.00 35.69 N ATOM 190 CA GLU A 11 25.503 -7.402 -5.275 1.00 37.00 C ATOM 191 C GLU A 11 24.107 -6.789 -5.096 1.00 35.27 C ATOM 192 O GLU A 11 23.437 -7.028 -4.085 1.00 34.85 O ATOM 193 CB GLU A 11 26.582 -6.345 -5.036 1.00 36.84 C ATOM 194 CG GLU A 11 26.588 -5.711 -3.642 1.00 41.16 C ATOM 195 CD GLU A 11 27.883 -4.943 -3.355 1.00 41.72 C ATOM 196 OE1 GLU A 11 28.857 -5.069 -4.150 1.00 48.07 O ATOM 197 OE2 GLU A 11 27.923 -4.221 -2.324 1.00 48.87 O ATOM 198 HA GLU A 11 25.619 -8.199 -4.541 1.00 0.00 H ATOM 199 HB2 GLU A 11 27.553 -6.814 -5.196 1.00 0.00 H ATOM 200 HB3 GLU A 11 26.440 -5.549 -5.767 1.00 0.00 H ATOM 201 HG2 GLU A 11 25.748 -5.021 -3.567 1.00 0.00 H ATOM 202 HG3 GLU A 11 26.476 -6.500 -2.898 1.00 0.00 H ATOM 203 H GLU A 11 26.401 -7.612 -7.236 1.00 0.00 H ATOM 204 N ILE A 12 23.679 -6.002 -6.077 1.00 34.23 N ATOM 205 CA ILE A 12 22.358 -5.388 -6.038 1.00 33.21 C ATOM 206 C ILE A 12 21.252 -6.457 -5.974 1.00 33.33 C ATOM 207 O ILE A 12 20.323 -6.343 -5.163 1.00 33.09 O ATOM 208 CB ILE A 12 22.146 -4.410 -7.222 1.00 33.17 C ATOM 209 CG1 ILE A 12 23.122 -3.219 -7.124 1.00 31.53 C ATOM 210 CG2 ILE A 12 20.684 -3.934 -7.277 1.00 33.01 C ATOM 211 CD1 ILE A 12 23.244 -2.419 -8.452 1.00 33.29 C ATOM 212 HA ILE A 12 22.295 -4.797 -5.125 1.00 0.00 H ATOM 213 HB ILE A 12 22.358 -4.939 -8.151 1.00 0.00 H ATOM 214 HG12 ILE A 12 22.769 -2.545 -6.344 1.00 0.00 H ATOM 215 HG13 ILE A 12 24.108 -3.599 -6.856 1.00 0.00 H ATOM 216 HD11 ILE A 12 23.606 -3.079 -9.240 1.00 0.00 H ATOM 217 HD12 ILE A 12 22.266 -2.024 -8.728 1.00 0.00 H ATOM 218 HD13 ILE A 12 23.945 -1.596 -8.316 1.00 0.00 H ATOM 219 HG21 ILE A 12 20.028 -4.794 -7.407 1.00 0.00 H ATOM 220 HG22 ILE A 12 20.434 -3.423 -6.347 1.00 0.00 H ATOM 221 HG23 ILE A 12 20.558 -3.249 -8.115 1.00 0.00 H ATOM 222 H ILE A 12 24.300 -5.820 -6.891 1.00 0.00 H ATOM 223 N GLU A 13 21.358 -7.494 -6.809 1.00 33.16 N ATOM 224 CA GLU A 13 20.383 -8.603 -6.797 1.00 34.21 C ATOM 225 C GLU A 13 20.296 -9.299 -5.429 1.00 34.30 C ATOM 226 O GLU A 13 19.193 -9.570 -4.928 1.00 33.88 O ATOM 227 CB GLU A 13 20.680 -9.621 -7.901 1.00 34.64 C ATOM 228 CG GLU A 13 20.390 -9.083 -9.296 1.00 34.59 C ATOM 229 CD GLU A 13 21.037 -9.892 -10.421 1.00 35.70 C ATOM 230 OE1 GLU A 13 22.003 -10.656 -10.177 1.00 38.23 O ATOM 231 OE2 GLU A 13 20.575 -9.728 -11.569 1.00 38.06 O ATOM 232 HA GLU A 13 19.409 -8.155 -6.993 1.00 0.00 H ATOM 233 HB2 GLU A 13 21.733 -9.897 -7.846 1.00 0.00 H ATOM 234 HB3 GLU A 13 20.065 -10.505 -7.734 1.00 0.00 H ATOM 235 HG2 GLU A 13 19.311 -9.087 -9.448 1.00 0.00 H ATOM 236 HG3 GLU A 13 20.760 -8.059 -9.353 1.00 0.00 H ATOM 237 H GLU A 13 22.148 -7.521 -7.485 1.00 0.00 H ATOM 238 N SER A 14 21.453 -9.567 -4.820 1.00 34.00 N ATOM 239 CA SER A 14 21.518 -10.190 -3.500 1.00 34.35 C ATOM 240 C SER A 14 20.806 -9.336 -2.444 1.00 33.80 C ATOM 241 O SER A 14 20.093 -9.862 -1.568 1.00 33.43 O ATOM 242 CB SER A 14 22.969 -10.397 -3.078 1.00 34.46 C ATOM 243 OG SER A 14 23.032 -10.788 -1.714 1.00 37.93 O ATOM 244 HA SER A 14 21.015 -11.154 -3.570 1.00 0.00 H ATOM 245 HB2 SER A 14 23.520 -9.466 -3.212 1.00 0.00 H ATOM 246 HB3 SER A 14 23.417 -11.175 -3.697 1.00 0.00 H ATOM 247 HG SER A 14 22.628 -10.082 -1.150 1.00 0.00 H ATOM 248 H SER A 14 22.341 -9.323 -5.303 1.00 0.00 H ATOM 249 N LYS A 15 21.013 -8.025 -2.528 1.00 33.04 N ATOM 250 CA LYS A 15 20.419 -7.092 -1.576 1.00 34.11 C ATOM 251 C LYS A 15 18.919 -7.011 -1.745 1.00 33.17 C ATOM 252 O LYS A 15 18.182 -6.897 -0.745 1.00 32.90 O ATOM 253 CB LYS A 15 21.004 -5.708 -1.766 1.00 34.78 C ATOM 254 CG LYS A 15 21.563 -5.176 -0.490 1.00 39.49 C ATOM 255 CD LYS A 15 22.932 -5.783 -0.222 1.00 42.84 C ATOM 256 CE LYS A 15 23.996 -5.128 -1.093 1.00 46.11 C ATOM 257 NZ LYS A 15 23.982 -3.643 -0.947 1.00 47.17 N ATOM 258 HA LYS A 15 20.643 -7.461 -0.575 1.00 0.00 H ATOM 259 HB2 LYS A 15 21.800 -5.758 -2.509 1.00 0.00 H ATOM 260 HB3 LYS A 15 20.221 -5.037 -2.118 1.00 0.00 H ATOM 261 HG2 LYS A 15 21.657 -4.092 -0.562 1.00 0.00 H ATOM 262 HG3 LYS A 15 20.891 -5.427 0.330 1.00 0.00 H ATOM 263 HD2 LYS A 15 23.189 -5.636 0.827 1.00 0.00 H ATOM 264 HD3 LYS A 15 22.899 -6.850 -0.441 1.00 0.00 H ATOM 265 HE2 LYS A 15 23.808 -5.384 -2.136 1.00 0.00 H ATOM 266 HE3 LYS A 15 24.976 -5.504 -0.799 1.00 0.00 H ATOM 267 HZ1 LYS A 15 23.051 -3.277 -1.231 1.00 0.00 H ATOM 268 HZ2 LYS A 15 24.167 -3.392 0.045 1.00 0.00 H ATOM 269 HZ3 LYS A 15 24.719 -3.229 -1.554 1.00 0.00 H ATOM 270 H LYS A 15 21.614 -7.655 -3.292 1.00 0.00 H ATOM 271 N GLN A 16 18.463 -7.065 -2.998 1.00 32.57 N ATOM 272 CA GLN A 16 17.031 -7.029 -3.289 1.00 32.81 C ATOM 273 C GLN A 16 16.335 -8.242 -2.691 1.00 33.50 C ATOM 274 O GLN A 16 15.239 -8.127 -2.145 1.00 32.34 O ATOM 275 CB GLN A 16 16.768 -6.959 -4.794 1.00 32.90 C ATOM 276 CG GLN A 16 17.035 -5.587 -5.370 1.00 32.36 C ATOM 277 CD GLN A 16 16.438 -5.384 -6.764 1.00 33.19 C ATOM 278 OE1 GLN A 16 16.421 -6.301 -7.595 1.00 34.83 O ATOM 279 NE2 GLN A 16 15.980 -4.171 -7.031 1.00 29.93 N ATOM 280 HA GLN A 16 16.624 -6.126 -2.833 1.00 0.00 H ATOM 281 HB2 GLN A 16 17.414 -7.680 -5.295 1.00 0.00 H ATOM 282 HB3 GLN A 16 15.725 -7.218 -4.978 1.00 0.00 H ATOM 283 HG2 GLN A 16 16.608 -4.842 -4.699 1.00 0.00 H ATOM 284 HG3 GLN A 16 18.114 -5.442 -5.432 1.00 0.00 H ATOM 285 HE22 GLN A 16 16.014 -3.430 -6.302 1.00 0.00 H ATOM 286 HE21 GLN A 16 15.586 -3.959 -7.970 1.00 0.00 H ATOM 287 H GLN A 16 19.141 -7.134 -3.784 1.00 0.00 H ATOM 288 N LYS A 17 16.965 -9.407 -2.807 1.00 34.08 N ATOM 289 CA LYS A 17 16.429 -10.598 -2.156 1.00 35.54 C ATOM 290 C LYS A 17 16.367 -10.410 -0.631 1.00 35.61 C ATOM 291 O LYS A 17 15.352 -10.740 -0.022 1.00 35.73 O ATOM 292 CB LYS A 17 17.234 -11.838 -2.546 1.00 36.26 C ATOM 293 CG LYS A 17 17.060 -12.239 -4.008 1.00 39.14 C ATOM 294 CD LYS A 17 18.179 -13.210 -4.438 1.00 42.45 C ATOM 295 CE LYS A 17 18.578 -13.032 -5.912 1.00 42.93 C ATOM 296 NZ LYS A 17 20.026 -13.352 -6.149 1.00 45.43 N ATOM 297 HA LYS A 17 15.407 -10.750 -2.504 1.00 0.00 H ATOM 298 HB2 LYS A 17 18.290 -11.635 -2.366 1.00 0.00 H ATOM 299 HB3 LYS A 17 16.913 -12.670 -1.919 1.00 0.00 H ATOM 300 HG2 LYS A 17 16.093 -12.727 -4.134 1.00 0.00 H ATOM 301 HG3 LYS A 17 17.099 -11.346 -4.632 1.00 0.00 H ATOM 302 HD2 LYS A 17 19.055 -13.032 -3.814 1.00 0.00 H ATOM 303 HD3 LYS A 17 17.831 -14.232 -4.291 1.00 0.00 H ATOM 304 HE2 LYS A 17 18.394 -11.998 -6.204 1.00 0.00 H ATOM 305 HE3 LYS A 17 17.967 -13.695 -6.524 1.00 0.00 H ATOM 306 HZ1 LYS A 17 20.618 -12.719 -5.574 1.00 0.00 H ATOM 307 HZ2 LYS A 17 20.210 -14.340 -5.880 1.00 0.00 H ATOM 308 HZ3 LYS A 17 20.249 -13.218 -7.156 1.00 0.00 H ATOM 309 H LYS A 17 17.842 -9.470 -3.363 1.00 0.00 H ATOM 310 N LYS A 18 17.414 -9.849 -0.021 1.00 35.30 N ATOM 311 CA LYS A 18 17.394 -9.565 1.429 1.00 35.53 C ATOM 312 C LYS A 18 16.240 -8.624 1.807 1.00 34.08 C ATOM 313 O LYS A 18 15.547 -8.836 2.825 1.00 33.10 O ATOM 314 CB LYS A 18 18.724 -8.956 1.890 1.00 35.38 C ATOM 315 CG LYS A 18 18.735 -8.519 3.343 1.00 38.57 C ATOM 316 CD LYS A 18 20.014 -7.777 3.732 1.00 39.18 C ATOM 317 CE LYS A 18 19.772 -6.921 4.968 1.00 43.66 C ATOM 318 NZ LYS A 18 21.015 -6.820 5.799 1.00 47.98 N ATOM 319 HA LYS A 18 17.243 -10.518 1.936 1.00 0.00 H ATOM 320 HB2 LYS A 18 19.508 -9.700 1.750 1.00 0.00 H ATOM 321 HB3 LYS A 18 18.936 -8.086 1.269 1.00 0.00 H ATOM 322 HG2 LYS A 18 17.884 -7.860 3.515 1.00 0.00 H ATOM 323 HG3 LYS A 18 18.640 -9.403 3.973 1.00 0.00 H ATOM 324 HD2 LYS A 18 20.800 -8.502 3.944 1.00 0.00 H ATOM 325 HD3 LYS A 18 20.324 -7.137 2.906 1.00 0.00 H ATOM 326 HE2 LYS A 18 18.979 -7.371 5.565 1.00 0.00 H ATOM 327 HE3 LYS A 18 19.468 -5.922 4.657 1.00 0.00 H ATOM 328 HZ1 LYS A 18 21.306 -7.771 6.102 1.00 0.00 H ATOM 329 HZ2 LYS A 18 21.774 -6.387 5.235 1.00 0.00 H ATOM 330 HZ3 LYS A 18 20.825 -6.232 6.635 1.00 0.00 H ATOM 331 H LYS A 18 18.259 -9.607 -0.577 1.00 0.00 H ATOM 332 N ILE A 19 16.052 -7.586 0.992 1.00 32.83 N ATOM 333 CA ILE A 19 15.024 -6.569 1.234 1.00 31.78 C ATOM 334 C ILE A 19 13.624 -7.176 1.145 1.00 31.99 C ATOM 335 O ILE A 19 12.754 -6.902 2.001 1.00 29.54 O ATOM 336 CB ILE A 19 15.203 -5.351 0.276 1.00 32.03 C ATOM 337 CG1 ILE A 19 16.375 -4.468 0.744 1.00 30.59 C ATOM 338 CG2 ILE A 19 13.916 -4.516 0.156 1.00 32.11 C ATOM 339 CD1 ILE A 19 16.942 -3.548 -0.374 1.00 32.57 C ATOM 340 HA ILE A 19 15.145 -6.193 2.250 1.00 0.00 H ATOM 341 HB ILE A 19 15.427 -5.746 -0.715 1.00 0.00 H ATOM 342 HG12 ILE A 19 16.028 -3.841 1.565 1.00 0.00 H ATOM 343 HG13 ILE A 19 17.177 -5.117 1.097 1.00 0.00 H ATOM 344 HD11 ILE A 19 17.304 -4.162 -1.199 1.00 0.00 H ATOM 345 HD12 ILE A 19 16.154 -2.884 -0.731 1.00 0.00 H ATOM 346 HD13 ILE A 19 17.764 -2.955 0.027 1.00 0.00 H ATOM 347 HG21 ILE A 19 13.114 -5.142 -0.235 1.00 0.00 H ATOM 348 HG22 ILE A 19 13.637 -4.138 1.139 1.00 0.00 H ATOM 349 HG23 ILE A 19 14.089 -3.679 -0.521 1.00 0.00 H ATOM 350 H ILE A 19 16.658 -7.494 0.152 1.00 0.00 H ATOM 351 N GLU A 20 13.411 -8.013 0.134 1.00 31.73 N ATOM 352 CA GLU A 20 12.132 -8.696 -0.053 1.00 32.50 C ATOM 353 C GLU A 20 11.809 -9.598 1.145 1.00 32.50 C ATOM 354 O GLU A 20 10.647 -9.664 1.604 1.00 32.32 O ATOM 355 CB GLU A 20 12.131 -9.473 -1.381 1.00 32.96 C ATOM 356 CG GLU A 20 11.926 -8.581 -2.600 1.00 35.10 C ATOM 357 CD GLU A 20 10.484 -8.103 -2.766 1.00 39.98 C ATOM 358 OE1 GLU A 20 9.870 -8.419 -3.808 1.00 42.91 O ATOM 359 OE2 GLU A 20 9.959 -7.411 -1.862 1.00 42.88 O ATOM 360 HA GLU A 20 11.340 -7.949 -0.108 1.00 0.00 H ATOM 361 HB2 GLU A 20 13.088 -9.985 -1.483 1.00 0.00 H ATOM 362 HB3 GLU A 20 11.328 -10.209 -1.351 1.00 0.00 H ATOM 363 HG2 GLU A 20 12.571 -7.708 -2.502 1.00 0.00 H ATOM 364 HG3 GLU A 20 12.209 -9.142 -3.491 1.00 0.00 H ATOM 365 H GLU A 20 14.179 -8.187 -0.545 1.00 0.00 H ATOM 366 N ASN A 21 12.843 -10.231 1.691 1.00 32.51 N ATOM 367 CA ASN A 21 12.699 -11.038 2.912 1.00 33.72 C ATOM 368 C ASN A 21 12.409 -10.220 4.171 1.00 33.58 C ATOM 369 O ASN A 21 11.619 -10.652 5.038 1.00 33.68 O ATOM 370 CB ASN A 21 13.923 -11.931 3.109 1.00 34.72 C ATOM 371 CG ASN A 21 13.902 -13.156 2.194 1.00 37.26 C ATOM 372 OD1 ASN A 21 13.377 -13.116 1.079 1.00 41.41 O ATOM 373 ND2 ASN A 21 14.466 -14.250 2.672 1.00 41.03 N ATOM 374 HA ASN A 21 11.816 -11.659 2.760 1.00 0.00 H ATOM 375 HB2 ASN A 21 14.820 -11.349 2.895 1.00 0.00 H ATOM 376 HB3 ASN A 21 13.948 -12.268 4.145 1.00 0.00 H ATOM 377 HD22 ASN A 21 14.898 -14.242 3.618 1.00 0.00 H ATOM 378 HD21 ASN A 21 14.478 -15.120 2.103 1.00 0.00 H ATOM 379 H ASN A 21 13.778 -10.153 1.243 1.00 0.00 H ATOM 380 N GLU A 22 13.019 -9.040 4.277 1.00 32.91 N ATOM 381 CA GLU A 22 12.685 -8.089 5.352 1.00 33.21 C ATOM 382 C GLU A 22 11.226 -7.625 5.249 1.00 31.19 C ATOM 383 O GLU A 22 10.513 -7.531 6.281 1.00 30.39 O ATOM 384 CB GLU A 22 13.620 -6.870 5.346 1.00 33.24 C ATOM 385 CG GLU A 22 15.039 -7.143 5.865 1.00 36.16 C ATOM 386 CD GLU A 22 16.027 -5.966 5.689 1.00 38.07 C ATOM 387 OE1 GLU A 22 16.171 -5.408 4.560 1.00 44.06 O ATOM 388 OE2 GLU A 22 16.704 -5.619 6.699 1.00 45.56 O ATOM 389 HA GLU A 22 12.821 -8.619 6.294 1.00 0.00 H ATOM 390 HB2 GLU A 22 13.698 -6.507 4.321 1.00 0.00 H ATOM 391 HB3 GLU A 22 13.173 -6.097 5.971 1.00 0.00 H ATOM 392 HG2 GLU A 22 14.974 -7.376 6.928 1.00 0.00 H ATOM 393 HG3 GLU A 22 15.437 -8.005 5.329 1.00 0.00 H ATOM 394 H GLU A 22 13.750 -8.784 3.583 1.00 0.00 H ATOM 395 N ILE A 23 10.770 -7.353 4.022 1.00 29.52 N ATOM 396 CA ILE A 23 9.401 -6.846 3.801 1.00 28.26 C ATOM 397 C ILE A 23 8.368 -7.912 4.181 1.00 28.58 C ATOM 398 O ILE A 23 7.356 -7.606 4.829 1.00 28.61 O ATOM 399 CB ILE A 23 9.225 -6.312 2.350 1.00 28.89 C ATOM 400 CG1 ILE A 23 9.985 -4.995 2.186 1.00 26.05 C ATOM 401 CG2 ILE A 23 7.758 -6.107 1.989 1.00 26.93 C ATOM 402 CD1 ILE A 23 10.008 -4.465 0.742 1.00 27.98 C ATOM 403 HA ILE A 23 9.229 -5.992 4.457 1.00 0.00 H ATOM 404 HB ILE A 23 9.631 -7.063 1.672 1.00 0.00 H ATOM 405 HG12 ILE A 23 9.513 -4.245 2.820 1.00 0.00 H ATOM 406 HG13 ILE A 23 11.014 -5.149 2.512 1.00 0.00 H ATOM 407 HD11 ILE A 23 10.489 -5.199 0.095 1.00 0.00 H ATOM 408 HD12 ILE A 23 8.986 -4.293 0.403 1.00 0.00 H ATOM 409 HD13 ILE A 23 10.565 -3.529 0.709 1.00 0.00 H ATOM 410 HG21 ILE A 23 7.229 -7.057 2.069 1.00 0.00 H ATOM 411 HG22 ILE A 23 7.314 -5.384 2.674 1.00 0.00 H ATOM 412 HG23 ILE A 23 7.685 -5.734 0.968 1.00 0.00 H ATOM 413 H ILE A 23 11.394 -7.502 3.204 1.00 0.00 H ATOM 414 N ALA A 24 8.633 -9.159 3.802 1.00 28.57 N ATOM 415 CA ALA A 24 7.807 -10.295 4.223 1.00 29.22 C ATOM 416 C ALA A 24 7.633 -10.365 5.746 1.00 29.27 C ATOM 417 O ALA A 24 6.503 -10.534 6.265 1.00 29.81 O ATOM 418 CB ALA A 24 8.410 -11.600 3.695 1.00 29.49 C ATOM 419 HA ALA A 24 6.814 -10.150 3.798 1.00 0.00 H ATOM 420 HB1 ALA A 24 8.449 -11.566 2.606 1.00 0.00 H ATOM 421 HB2 ALA A 24 9.418 -11.720 4.092 1.00 0.00 H ATOM 422 HB3 ALA A 24 7.791 -12.439 4.012 1.00 0.00 H ATOM 423 H ALA A 24 9.453 -9.334 3.187 1.00 0.00 H ATOM 424 N ARG A 25 8.741 -10.223 6.463 1.00 29.19 N ATOM 425 CA ARG A 25 8.708 -10.274 7.923 1.00 29.64 C ATOM 426 C ARG A 25 7.956 -9.098 8.515 1.00 28.21 C ATOM 427 O ARG A 25 7.187 -9.271 9.481 1.00 27.64 O ATOM 428 CB ARG A 25 10.120 -10.324 8.508 1.00 29.72 C ATOM 429 CG ARG A 25 10.884 -11.632 8.195 1.00 32.15 C ATOM 430 CD ARG A 25 12.176 -11.715 9.018 1.00 34.57 C ATOM 431 NE ARG A 25 13.209 -10.802 8.520 1.00 41.68 N ATOM 432 CZ ARG A 25 14.148 -11.127 7.632 1.00 45.44 C ATOM 433 NH1 ARG A 25 14.207 -12.362 7.124 1.00 47.77 N ATOM 434 NH2 ARG A 25 15.037 -10.215 7.248 1.00 45.32 N ATOM 435 HA ARG A 25 8.179 -11.189 8.189 1.00 0.00 H ATOM 436 HB2 ARG A 25 10.690 -9.488 8.102 1.00 0.00 H ATOM 437 HB3 ARG A 25 10.047 -10.220 9.591 1.00 0.00 H ATOM 438 HG2 ARG A 25 10.249 -12.484 8.438 1.00 0.00 H ATOM 439 HG3 ARG A 25 11.133 -11.656 7.134 1.00 0.00 H ATOM 440 HD2 ARG A 25 12.557 -12.735 8.972 1.00 0.00 H ATOM 441 HD3 ARG A 25 11.950 -11.459 10.053 1.00 0.00 H ATOM 442 HE ARG A 25 13.209 -9.829 8.887 1.00 0.00 H ATOM 443 HH12 ARG A 25 14.944 -12.605 6.432 1.00 0.00 H ATOM 444 HH11 ARG A 25 13.516 -13.080 7.421 1.00 0.00 H ATOM 445 HH22 ARG A 25 15.772 -10.464 6.555 1.00 0.00 H ATOM 446 HH21 ARG A 25 14.998 -9.253 7.641 1.00 0.00 H ATOM 447 H ARG A 25 9.648 -10.073 5.977 1.00 0.00 H ATOM 448 N ILE A 26 8.163 -7.914 7.942 1.00 26.74 N ATOM 449 CA ILE A 26 7.481 -6.708 8.412 1.00 26.80 C ATOM 450 C ILE A 26 5.975 -6.868 8.250 1.00 26.41 C ATOM 451 O ILE A 26 5.202 -6.561 9.173 1.00 26.47 O ATOM 452 CB ILE A 26 7.963 -5.442 7.672 1.00 26.44 C ATOM 453 CG1 ILE A 26 9.389 -5.083 8.126 1.00 25.57 C ATOM 454 CG2 ILE A 26 6.991 -4.264 7.917 1.00 24.58 C ATOM 455 CD1 ILE A 26 10.078 -4.063 7.239 1.00 26.41 C ATOM 456 HA ILE A 26 7.726 -6.581 9.467 1.00 0.00 H ATOM 457 HB ILE A 26 7.979 -5.643 6.601 1.00 0.00 H ATOM 458 HG12 ILE A 26 9.336 -4.679 9.137 1.00 0.00 H ATOM 459 HG13 ILE A 26 9.988 -5.994 8.131 1.00 0.00 H ATOM 460 HD11 ILE A 26 10.151 -4.456 6.225 1.00 0.00 H ATOM 461 HD12 ILE A 26 9.499 -3.140 7.232 1.00 0.00 H ATOM 462 HD13 ILE A 26 11.078 -3.864 7.625 1.00 0.00 H ATOM 463 HG21 ILE A 26 5.999 -4.531 7.552 1.00 0.00 H ATOM 464 HG22 ILE A 26 6.941 -4.052 8.985 1.00 0.00 H ATOM 465 HG23 ILE A 26 7.350 -3.382 7.386 1.00 0.00 H ATOM 466 H ILE A 26 8.824 -7.845 7.142 1.00 0.00 H ATOM 467 N LYS A 27 5.562 -7.363 7.084 1.00 26.56 N ATOM 468 CA LYS A 27 4.136 -7.549 6.795 1.00 26.94 C ATOM 469 C LYS A 27 3.455 -8.482 7.808 1.00 27.23 C ATOM 470 O LYS A 27 2.346 -8.202 8.258 1.00 27.15 O ATOM 471 CB LYS A 27 3.939 -8.098 5.382 1.00 27.11 C ATOM 472 CG LYS A 27 4.127 -7.067 4.292 1.00 29.78 C ATOM 473 CD LYS A 27 3.851 -7.761 2.950 1.00 33.88 C ATOM 474 CE LYS A 27 4.224 -6.931 1.757 1.00 37.78 C ATOM 475 NZ LYS A 27 3.956 -7.699 0.490 1.00 41.47 N ATOM 476 HA LYS A 27 3.668 -6.568 6.874 1.00 0.00 H ATOM 477 HB2 LYS A 27 4.658 -8.902 5.222 1.00 0.00 H ATOM 478 HB3 LYS A 27 2.927 -8.497 5.307 1.00 0.00 H ATOM 479 HG2 LYS A 27 3.430 -6.242 4.435 1.00 0.00 H ATOM 480 HG3 LYS A 27 5.148 -6.686 4.312 1.00 0.00 H ATOM 481 HD2 LYS A 27 4.423 -8.688 2.917 1.00 0.00 H ATOM 482 HD3 LYS A 27 2.787 -7.989 2.892 1.00 0.00 H ATOM 483 HE2 LYS A 27 5.283 -6.679 1.809 1.00 0.00 H ATOM 484 HE3 LYS A 27 3.634 -6.015 1.756 1.00 0.00 H ATOM 485 HZ1 LYS A 27 4.521 -8.572 0.489 1.00 0.00 H ATOM 486 HZ2 LYS A 27 2.945 -7.938 0.438 1.00 0.00 H ATOM 487 HZ3 LYS A 27 4.218 -7.115 -0.330 1.00 0.00 H ATOM 488 H LYS A 27 6.266 -7.623 6.364 1.00 0.00 H ATOM 489 N LYS A 28 4.113 -9.587 8.145 1.00 26.67 N ATOM 490 CA LYS A 28 3.560 -10.545 9.105 1.00 27.87 C ATOM 491 C LYS A 28 3.352 -9.894 10.479 1.00 26.60 C ATOM 492 O LYS A 28 2.291 -10.087 11.108 1.00 26.40 O ATOM 493 CB LYS A 28 4.499 -11.731 9.295 1.00 27.63 C ATOM 494 CG LYS A 28 4.444 -12.859 8.262 1.00 31.61 C ATOM 495 CD LYS A 28 5.461 -13.960 8.694 1.00 31.99 C ATOM 496 CE LYS A 28 6.900 -13.376 8.901 1.00 36.49 C ATOM 497 NZ LYS A 28 7.801 -14.007 9.955 1.00 35.62 N ATOM 498 HA LYS A 28 2.605 -10.879 8.699 1.00 0.00 H ATOM 499 HB2 LYS A 28 5.517 -11.342 9.298 1.00 0.00 H ATOM 500 HB3 LYS A 28 4.276 -12.170 10.268 1.00 0.00 H ATOM 501 HG2 LYS A 28 3.438 -13.278 8.225 1.00 0.00 H ATOM 502 HG3 LYS A 28 4.712 -12.473 7.278 1.00 0.00 H ATOM 503 HD2 LYS A 28 5.123 -14.405 9.630 1.00 0.00 H ATOM 504 HD3 LYS A 28 5.500 -14.728 7.921 1.00 0.00 H ATOM 505 HE2 LYS A 28 6.785 -12.325 9.165 1.00 0.00 H ATOM 506 HE3 LYS A 28 7.419 -13.455 7.946 1.00 0.00 H ATOM 507 HZ1 LYS A 28 7.348 -13.930 10.888 1.00 0.00 H ATOM 508 HZ2 LYS A 28 7.953 -15.010 9.724 1.00 0.00 H ATOM 509 HZ3 LYS A 28 8.715 -13.511 9.970 1.00 0.00 H ATOM 510 H LYS A 28 5.042 -9.776 7.717 1.00 0.00 H ATOM 511 N LEU A 29 4.363 -9.159 10.949 1.00 25.29 N ATOM 512 CA LEU A 29 4.302 -8.539 12.296 1.00 25.00 C ATOM 513 C LEU A 29 3.273 -7.407 12.299 1.00 24.87 C ATOM 514 O LEU A 29 2.495 -7.254 13.254 1.00 24.65 O ATOM 515 CB LEU A 29 5.691 -8.056 12.778 1.00 24.52 C ATOM 516 CG LEU A 29 5.745 -7.336 14.152 1.00 24.66 C ATOM 517 CD1 LEU A 29 5.109 -8.208 15.269 1.00 23.73 C ATOM 518 CD2 LEU A 29 7.163 -6.943 14.566 1.00 25.59 C ATOM 519 HA LEU A 29 3.983 -9.300 13.009 1.00 0.00 H ATOM 520 HB2 LEU A 29 6.341 -8.929 12.837 1.00 0.00 H ATOM 521 HB3 LEU A 29 6.079 -7.366 12.029 1.00 0.00 H ATOM 522 HG LEU A 29 5.168 -6.420 14.027 1.00 0.00 H ATOM 523 HD21 LEU A 29 7.781 -7.838 14.636 1.00 0.00 H ATOM 524 HD22 LEU A 29 7.584 -6.267 13.821 1.00 0.00 H ATOM 525 HD23 LEU A 29 7.132 -6.444 15.535 1.00 0.00 H ATOM 526 HD11 LEU A 29 4.067 -8.409 15.022 1.00 0.00 H ATOM 527 HD12 LEU A 29 5.653 -9.149 15.348 1.00 0.00 H ATOM 528 HD13 LEU A 29 5.163 -7.676 16.219 1.00 0.00 H ATOM 529 H LEU A 29 5.209 -9.018 10.360 1.00 0.00 H ATOM 530 N LEU A 30 3.255 -6.616 11.233 1.00 24.76 N ATOM 531 CA LEU A 30 2.231 -5.582 11.076 1.00 25.15 C ATOM 532 C LEU A 30 0.818 -6.191 11.090 1.00 25.83 C ATOM 533 O LEU A 30 -0.085 -5.655 11.755 1.00 26.38 O ATOM 534 CB LEU A 30 2.497 -4.788 9.786 1.00 25.20 C ATOM 535 CG LEU A 30 1.699 -3.520 9.495 1.00 26.26 C ATOM 536 CD1 LEU A 30 1.740 -2.515 10.649 1.00 27.31 C ATOM 537 CD2 LEU A 30 2.233 -2.917 8.165 1.00 24.85 C ATOM 538 HA LEU A 30 2.285 -4.896 11.922 1.00 0.00 H ATOM 539 HB2 LEU A 30 3.549 -4.502 9.803 1.00 0.00 H ATOM 540 HB3 LEU A 30 2.321 -5.470 8.954 1.00 0.00 H ATOM 541 HG LEU A 30 0.644 -3.772 9.390 1.00 0.00 H ATOM 542 HD21 LEU A 30 3.292 -2.682 8.274 1.00 0.00 H ATOM 543 HD22 LEU A 30 2.101 -3.641 7.361 1.00 0.00 H ATOM 544 HD23 LEU A 30 1.679 -2.007 7.932 1.00 0.00 H ATOM 545 HD11 LEU A 30 1.321 -2.974 11.544 1.00 0.00 H ATOM 546 HD12 LEU A 30 2.773 -2.223 10.838 1.00 0.00 H ATOM 547 HD13 LEU A 30 1.155 -1.635 10.383 1.00 0.00 H ATOM 548 H LEU A 30 3.981 -6.733 10.497 1.00 0.00 H ATOM 549 N GLN A 31 0.615 -7.332 10.428 1.00 26.63 N ATOM 550 CA GLN A 31 -0.717 -7.986 10.531 1.00 27.54 C ATOM 551 C GLN A 31 -1.103 -8.404 11.970 1.00 26.38 C ATOM 552 O GLN A 31 -2.264 -8.286 12.369 1.00 26.28 O ATOM 553 CB GLN A 31 -0.896 -9.119 9.511 1.00 28.78 C ATOM 554 CG GLN A 31 -1.068 -8.593 8.072 1.00 32.22 C ATOM 555 CD GLN A 31 -2.269 -7.628 7.917 1.00 36.64 C ATOM 556 OE1 GLN A 31 -2.171 -6.576 7.277 1.00 38.30 O ATOM 557 NE2 GLN A 31 -3.388 -7.982 8.532 1.00 36.57 N ATOM 558 HA GLN A 31 -1.437 -7.213 10.264 1.00 0.00 H ATOM 559 HB2 GLN A 31 -0.018 -9.764 9.546 1.00 0.00 H ATOM 560 HB3 GLN A 31 -1.780 -9.697 9.781 1.00 0.00 H ATOM 561 HG2 GLN A 31 -0.159 -8.065 7.785 1.00 0.00 H ATOM 562 HG3 GLN A 31 -1.218 -9.444 7.407 1.00 0.00 H ATOM 563 HE22 GLN A 31 -3.430 -8.876 9.061 1.00 0.00 H ATOM 564 HE21 GLN A 31 -4.224 -7.365 8.486 1.00 0.00 H ATOM 565 H GLN A 31 1.371 -7.755 9.853 1.00 0.00 H ATOM 566 N LEU A 32 -0.118 -8.820 12.750 1.00 25.16 N ATOM 567 CA LEU A 32 -0.319 -9.162 14.162 1.00 24.64 C ATOM 568 C LEU A 32 -0.700 -7.915 14.975 1.00 24.28 C ATOM 569 O LEU A 32 -1.604 -7.968 15.830 1.00 24.33 O ATOM 570 CB LEU A 32 0.932 -9.814 14.750 1.00 24.82 C ATOM 571 CG LEU A 32 1.197 -11.307 14.484 1.00 26.90 C ATOM 572 CD1 LEU A 32 2.638 -11.635 14.784 1.00 28.20 C ATOM 573 CD2 LEU A 32 0.282 -12.180 15.336 1.00 29.08 C ATOM 574 HA LEU A 32 -1.139 -9.878 14.219 1.00 0.00 H ATOM 575 HB2 LEU A 32 1.790 -9.264 14.363 1.00 0.00 H ATOM 576 HB3 LEU A 32 0.879 -9.688 15.831 1.00 0.00 H ATOM 577 HG LEU A 32 0.990 -11.510 13.433 1.00 0.00 H ATOM 578 HD21 LEU A 32 0.463 -11.973 16.391 1.00 0.00 H ATOM 579 HD22 LEU A 32 -0.758 -11.959 15.094 1.00 0.00 H ATOM 580 HD23 LEU A 32 0.489 -13.230 15.130 1.00 0.00 H ATOM 581 HD11 LEU A 32 3.286 -11.035 14.145 1.00 0.00 H ATOM 582 HD12 LEU A 32 2.850 -11.413 15.830 1.00 0.00 H ATOM 583 HD13 LEU A 32 2.816 -12.693 14.593 1.00 0.00 H ATOM 584 H LEU A 32 0.836 -8.908 12.346 1.00 0.00 H ATOM 585 N THR A 33 -0.063 -6.785 14.683 1.00 22.94 N ATOM 586 CA THR A 33 -0.394 -5.536 15.416 1.00 23.29 C ATOM 587 C THR A 33 -1.820 -5.045 15.121 1.00 22.73 C ATOM 588 O THR A 33 -2.529 -4.589 16.030 1.00 22.86 O ATOM 589 CB THR A 33 0.617 -4.390 15.214 1.00 22.96 C ATOM 590 OG1 THR A 33 0.662 -4.022 13.832 1.00 24.46 O ATOM 591 CG2 THR A 33 2.013 -4.768 15.772 1.00 23.16 C ATOM 592 HA THR A 33 -0.331 -5.822 16.466 1.00 0.00 H ATOM 593 HB THR A 33 0.288 -3.519 15.781 1.00 0.00 H ATOM 594 HG1 THR A 33 1.313 -3.286 13.709 1.00 0.00 H ATOM 595 HG23 THR A 33 1.921 -5.039 16.824 1.00 0.00 H ATOM 596 HG21 THR A 33 2.410 -5.614 15.211 1.00 0.00 H ATOM 597 HG22 THR A 33 2.686 -3.916 15.672 1.00 0.00 H ATOM 598 H THR A 33 0.667 -6.776 13.942 1.00 0.00 H ATOM 599 N VAL A 34 -2.227 -5.150 13.853 1.00 22.46 N ATOM 600 CA VAL A 34 -3.589 -4.812 13.429 1.00 22.50 C ATOM 601 C VAL A 34 -4.598 -5.655 14.246 1.00 23.02 C ATOM 602 O VAL A 34 -5.527 -5.100 14.858 1.00 22.94 O ATOM 603 CB VAL A 34 -3.746 -5.028 11.905 1.00 22.07 C ATOM 604 CG1 VAL A 34 -5.203 -4.994 11.449 1.00 23.51 C ATOM 605 CG2 VAL A 34 -2.886 -4.021 11.124 1.00 23.23 C ATOM 606 HA VAL A 34 -3.791 -3.759 13.622 1.00 0.00 H ATOM 607 HB VAL A 34 -3.385 -6.033 11.686 1.00 0.00 H ATOM 608 HG11 VAL A 34 -5.760 -5.782 11.956 1.00 0.00 H ATOM 609 HG12 VAL A 34 -5.637 -4.025 11.695 1.00 0.00 H ATOM 610 HG13 VAL A 34 -5.249 -5.151 10.371 1.00 0.00 H ATOM 611 HG21 VAL A 34 -3.201 -3.007 11.372 1.00 0.00 H ATOM 612 HG22 VAL A 34 -1.838 -4.154 11.394 1.00 0.00 H ATOM 613 HG23 VAL A 34 -3.011 -4.191 10.055 1.00 0.00 H ATOM 614 H VAL A 34 -1.550 -5.485 13.138 1.00 0.00 H ATOM 615 N TRP A 35 -4.363 -6.969 14.299 1.00 22.71 N ATOM 616 CA TRP A 35 -5.197 -7.888 15.085 1.00 23.80 C ATOM 617 C TRP A 35 -5.243 -7.491 16.567 1.00 23.31 C ATOM 618 O TRP A 35 -6.323 -7.508 17.179 1.00 24.42 O ATOM 619 CB TRP A 35 -4.670 -9.321 14.953 1.00 24.68 C ATOM 620 CG TRP A 35 -5.556 -10.289 15.654 1.00 26.84 C ATOM 621 CD1 TRP A 35 -6.640 -10.918 15.133 1.00 28.97 C ATOM 622 CD2 TRP A 35 -5.475 -10.683 17.031 1.00 28.54 C ATOM 623 NE1 TRP A 35 -7.236 -11.712 16.097 1.00 30.22 N ATOM 624 CE2 TRP A 35 -6.542 -11.576 17.271 1.00 29.53 C ATOM 625 CE3 TRP A 35 -4.602 -10.366 18.089 1.00 27.04 C ATOM 626 CZ2 TRP A 35 -6.764 -12.161 18.523 1.00 29.56 C ATOM 627 CZ3 TRP A 35 -4.825 -10.955 19.340 1.00 29.03 C ATOM 628 CH2 TRP A 35 -5.896 -11.839 19.540 1.00 28.06 C ATOM 629 HA TRP A 35 -6.211 -7.830 14.689 1.00 0.00 H ATOM 630 HB2 TRP A 35 -4.620 -9.585 13.897 1.00 0.00 H ATOM 631 HB3 TRP A 35 -3.672 -9.374 15.387 1.00 0.00 H ATOM 632 HE1 TRP A 35 -8.073 -12.313 15.954 1.00 0.00 H ATOM 633 HD1 TRP A 35 -6.990 -10.813 14.106 1.00 0.00 H ATOM 634 HZ2 TRP A 35 -7.595 -12.847 18.686 1.00 0.00 H ATOM 635 HH2 TRP A 35 -6.044 -12.281 20.525 1.00 0.00 H ATOM 636 HZ3 TRP A 35 -4.157 -10.723 20.170 1.00 0.00 H ATOM 637 HE3 TRP A 35 -3.771 -9.677 17.938 1.00 0.00 H ATOM 638 H TRP A 35 -3.560 -7.356 13.764 1.00 0.00 H ATOM 639 N GLY A 36 -4.080 -7.210 17.158 1.00 23.31 N ATOM 640 CA GLY A 36 -3.965 -6.819 18.584 1.00 23.36 C ATOM 641 C GLY A 36 -4.718 -5.543 18.944 1.00 22.66 C ATOM 642 O GLY A 36 -5.395 -5.481 19.986 1.00 22.62 O ATOM 643 HA3 GLY A 36 -2.910 -6.670 18.814 1.00 0.00 H ATOM 644 HA2 GLY A 36 -4.358 -7.632 19.195 1.00 0.00 H ATOM 645 H GLY A 36 -3.211 -7.268 16.590 1.00 0.00 H ATOM 646 N ILE A 37 -4.662 -4.547 18.066 1.00 21.65 N ATOM 647 CA ILE A 37 -5.420 -3.302 18.255 1.00 22.31 C ATOM 648 C ILE A 37 -6.929 -3.598 18.164 1.00 22.58 C ATOM 649 O ILE A 37 -7.723 -3.175 19.032 1.00 22.72 O ATOM 650 CB ILE A 37 -5.025 -2.223 17.184 1.00 21.76 C ATOM 651 CG1 ILE A 37 -3.561 -1.771 17.381 1.00 20.48 C ATOM 652 CG2 ILE A 37 -5.969 -1.002 17.258 1.00 22.62 C ATOM 653 CD1 ILE A 37 -2.957 -1.040 16.191 1.00 23.20 C ATOM 654 HA ILE A 37 -5.179 -2.903 19.240 1.00 0.00 H ATOM 655 HB ILE A 37 -5.123 -2.678 16.198 1.00 0.00 H ATOM 656 HG12 ILE A 37 -3.524 -1.106 18.244 1.00 0.00 H ATOM 657 HG13 ILE A 37 -2.956 -2.656 17.580 1.00 0.00 H ATOM 658 HD11 ILE A 37 -2.971 -1.694 15.319 1.00 0.00 H ATOM 659 HD12 ILE A 37 -3.540 -0.143 15.983 1.00 0.00 H ATOM 660 HD13 ILE A 37 -1.929 -0.762 16.421 1.00 0.00 H ATOM 661 HG21 ILE A 37 -6.993 -1.324 17.071 1.00 0.00 H ATOM 662 HG22 ILE A 37 -5.904 -0.553 18.249 1.00 0.00 H ATOM 663 HG23 ILE A 37 -5.674 -0.270 16.506 1.00 0.00 H ATOM 664 H ILE A 37 -4.065 -4.651 17.221 1.00 0.00 H ATOM 665 N LYS A 38 -7.310 -4.368 17.142 1.00 23.22 N ATOM 666 CA LYS A 38 -8.692 -4.836 16.974 1.00 24.77 C ATOM 667 C LYS A 38 -9.167 -5.535 18.255 1.00 24.50 C ATOM 668 O LYS A 38 -10.264 -5.268 18.733 1.00 25.29 O ATOM 669 CB LYS A 38 -8.797 -5.804 15.778 1.00 24.55 C ATOM 670 CG LYS A 38 -10.242 -5.947 15.252 1.00 26.38 C ATOM 671 CD LYS A 38 -10.258 -6.791 13.982 1.00 27.44 C ATOM 672 CE LYS A 38 -11.620 -6.766 13.276 1.00 32.73 C ATOM 673 NZ LYS A 38 -12.742 -7.140 14.174 1.00 38.82 N ATOM 674 HA LYS A 38 -9.328 -3.973 16.778 1.00 0.00 H ATOM 675 HB2 LYS A 38 -8.167 -5.431 14.971 1.00 0.00 H ATOM 676 HB3 LYS A 38 -8.441 -6.785 16.091 1.00 0.00 H ATOM 677 HG2 LYS A 38 -10.857 -6.428 16.013 1.00 0.00 H ATOM 678 HG3 LYS A 38 -10.645 -4.958 15.033 1.00 0.00 H ATOM 679 HD2 LYS A 38 -9.502 -6.407 13.297 1.00 0.00 H ATOM 680 HD3 LYS A 38 -10.019 -7.822 14.244 1.00 0.00 H ATOM 681 HE2 LYS A 38 -11.593 -7.467 12.442 1.00 0.00 H ATOM 682 HE3 LYS A 38 -11.798 -5.759 12.897 1.00 0.00 H ATOM 683 HZ1 LYS A 38 -12.589 -8.103 14.535 1.00 0.00 H ATOM 684 HZ2 LYS A 38 -12.784 -6.472 14.970 1.00 0.00 H ATOM 685 HZ3 LYS A 38 -13.636 -7.106 13.643 1.00 0.00 H ATOM 686 H LYS A 38 -6.599 -4.648 16.436 1.00 0.00 H ATOM 687 N GLN A 39 -8.320 -6.407 18.804 1.00 23.96 N ATOM 688 CA GLN A 39 -8.665 -7.198 19.983 1.00 25.28 C ATOM 689 C GLN A 39 -8.895 -6.290 21.185 1.00 24.94 C ATOM 690 O GLN A 39 -9.929 -6.417 21.850 1.00 25.73 O ATOM 691 CB GLN A 39 -7.565 -8.214 20.279 1.00 25.42 C ATOM 692 CG GLN A 39 -7.913 -9.251 21.357 1.00 27.58 C ATOM 693 CD GLN A 39 -9.032 -10.239 20.965 1.00 28.68 C ATOM 694 OE1 GLN A 39 -9.403 -11.099 21.763 1.00 34.93 O ATOM 695 NE2 GLN A 39 -9.553 -10.128 19.740 1.00 30.87 N ATOM 696 HA GLN A 39 -9.590 -7.739 19.781 1.00 0.00 H ATOM 697 HB2 GLN A 39 -7.340 -8.748 19.356 1.00 0.00 H ATOM 698 HB3 GLN A 39 -6.680 -7.669 20.607 1.00 0.00 H ATOM 699 HG2 GLN A 39 -7.014 -9.826 21.578 1.00 0.00 H ATOM 700 HG3 GLN A 39 -8.230 -8.717 22.253 1.00 0.00 H ATOM 701 HE22 GLN A 39 -9.212 -9.387 19.095 1.00 0.00 H ATOM 702 HE21 GLN A 39 -10.300 -10.783 19.431 1.00 0.00 H ATOM 703 H GLN A 39 -7.379 -6.528 18.377 1.00 0.00 H ATOM 704 N LEU A 40 -7.947 -5.383 21.462 1.00 23.91 N ATOM 705 CA LEU A 40 -8.094 -4.467 22.614 1.00 25.26 C ATOM 706 C LEU A 40 -9.373 -3.630 22.523 1.00 24.77 C ATOM 707 O LEU A 40 -10.093 -3.441 23.520 1.00 24.72 O ATOM 708 CB LEU A 40 -6.901 -3.534 22.744 1.00 23.71 C ATOM 709 CG LEU A 40 -5.570 -4.162 23.158 1.00 26.46 C ATOM 710 CD1 LEU A 40 -4.441 -3.134 23.102 1.00 24.95 C ATOM 711 CD2 LEU A 40 -5.611 -4.842 24.521 1.00 27.60 C ATOM 712 HA LEU A 40 -8.151 -5.102 23.498 1.00 0.00 H ATOM 713 HB2 LEU A 40 -6.752 -3.054 21.777 1.00 0.00 H ATOM 714 HB3 LEU A 40 -7.154 -2.778 23.488 1.00 0.00 H ATOM 715 HG LEU A 40 -5.374 -4.951 22.432 1.00 0.00 H ATOM 716 HD21 LEU A 40 -5.876 -4.109 25.283 1.00 0.00 H ATOM 717 HD22 LEU A 40 -6.355 -5.638 24.506 1.00 0.00 H ATOM 718 HD23 LEU A 40 -4.631 -5.263 24.745 1.00 0.00 H ATOM 719 HD11 LEU A 40 -4.348 -2.753 22.085 1.00 0.00 H ATOM 720 HD12 LEU A 40 -4.667 -2.311 23.780 1.00 0.00 H ATOM 721 HD13 LEU A 40 -3.506 -3.607 23.401 1.00 0.00 H ATOM 722 H LEU A 40 -7.100 -5.323 20.861 1.00 0.00 H ATOM 723 N GLN A 41 -9.626 -3.101 21.325 1.00 25.19 N ATOM 724 CA GLN A 41 -10.827 -2.328 21.097 1.00 25.02 C ATOM 725 C GLN A 41 -12.090 -3.151 21.391 1.00 25.41 C ATOM 726 O GLN A 41 -12.985 -2.681 22.129 1.00 25.99 O ATOM 727 CB GLN A 41 -10.861 -1.814 19.661 1.00 24.24 C ATOM 728 CG GLN A 41 -12.043 -0.918 19.415 1.00 24.43 C ATOM 729 CD GLN A 41 -12.176 -0.527 17.967 1.00 23.23 C ATOM 730 OE1 GLN A 41 -11.948 -1.334 17.080 1.00 24.92 O ATOM 731 NE2 GLN A 41 -12.576 0.708 17.723 1.00 24.88 N ATOM 732 HA GLN A 41 -10.811 -1.480 21.782 1.00 0.00 H ATOM 733 HB2 GLN A 41 -9.947 -1.254 19.465 1.00 0.00 H ATOM 734 HB3 GLN A 41 -10.916 -2.665 18.983 1.00 0.00 H ATOM 735 HG2 GLN A 41 -12.949 -1.441 19.721 1.00 0.00 H ATOM 736 HG3 GLN A 41 -11.928 -0.014 20.013 1.00 0.00 H ATOM 737 HE22 GLN A 41 -12.758 1.361 18.512 1.00 0.00 H ATOM 738 HE21 GLN A 41 -12.709 1.027 16.742 1.00 0.00 H ATOM 739 H GLN A 41 -8.952 -3.246 20.546 1.00 0.00 H ATOM 740 N ALA A 42 -12.154 -4.365 20.826 1.00 24.77 N ATOM 741 CA ALA A 42 -13.327 -5.254 20.963 1.00 26.37 C ATOM 742 C ALA A 42 -13.541 -5.657 22.400 1.00 27.34 C ATOM 743 O ALA A 42 -14.683 -5.607 22.882 1.00 27.77 O ATOM 744 CB ALA A 42 -13.184 -6.500 20.093 1.00 26.25 C ATOM 745 HA ALA A 42 -14.197 -4.691 20.624 1.00 0.00 H ATOM 746 HB1 ALA A 42 -13.093 -6.203 19.048 1.00 0.00 H ATOM 747 HB2 ALA A 42 -12.293 -7.052 20.394 1.00 0.00 H ATOM 748 HB3 ALA A 42 -14.064 -7.132 20.218 1.00 0.00 H ATOM 749 H ALA A 42 -11.342 -4.696 20.266 1.00 0.00 H ATOM 750 N ARG A 43 -12.458 -6.040 23.082 1.00 27.05 N ATOM 751 CA ARG A 43 -12.567 -6.604 24.451 1.00 29.08 C ATOM 752 C ARG A 43 -12.999 -5.573 25.495 1.00 28.93 C ATOM 753 O ARG A 43 -13.732 -5.896 26.459 1.00 30.65 O ATOM 754 CB ARG A 43 -11.242 -7.252 24.885 1.00 28.34 C ATOM 755 CG ARG A 43 -10.831 -8.495 24.105 1.00 30.92 C ATOM 756 CD ARG A 43 -11.885 -9.622 24.130 1.00 36.24 C ATOM 757 NE ARG A 43 -12.037 -10.120 22.763 1.00 45.80 N ATOM 758 CZ ARG A 43 -13.115 -9.941 22.000 1.00 46.99 C ATOM 759 NH1 ARG A 43 -14.188 -9.322 22.476 1.00 45.29 N ATOM 760 NH2 ARG A 43 -13.126 -10.417 20.762 1.00 48.51 N ATOM 761 HA ARG A 43 -13.349 -7.362 24.400 1.00 0.00 H ATOM 762 HB2 ARG A 43 -10.452 -6.509 24.773 1.00 0.00 H ATOM 763 HB3 ARG A 43 -11.332 -7.529 25.935 1.00 0.00 H ATOM 764 HG2 ARG A 43 -10.658 -8.209 23.068 1.00 0.00 H ATOM 765 HG3 ARG A 43 -9.906 -8.880 24.534 1.00 0.00 H ATOM 766 HD2 ARG A 43 -12.837 -9.233 24.491 1.00 0.00 H ATOM 767 HD3 ARG A 43 -11.552 -10.428 24.784 1.00 0.00 H ATOM 768 HE ARG A 43 -11.243 -10.654 22.355 1.00 0.00 H ATOM 769 HH12 ARG A 43 -15.023 -9.189 21.870 1.00 0.00 H ATOM 770 HH11 ARG A 43 -14.194 -8.970 23.455 1.00 0.00 H ATOM 771 HH22 ARG A 43 -13.963 -10.282 20.160 1.00 0.00 H ATOM 772 HH21 ARG A 43 -12.297 -10.926 20.393 1.00 0.00 H ATOM 773 H ARG A 43 -11.519 -5.941 22.645 1.00 0.00 H ATOM 774 N ILE A 44 -12.574 -4.330 25.297 1.00 29.46 N ATOM 775 CA ILE A 44 -12.794 -3.279 26.308 1.00 30.15 C ATOM 776 C ILE A 44 -13.881 -2.262 25.932 1.00 29.97 C ATOM 777 O ILE A 44 -14.749 -1.916 26.744 1.00 30.19 O ATOM 778 CB ILE A 44 -11.444 -2.550 26.597 1.00 30.09 C ATOM 779 CG1 ILE A 44 -10.350 -3.559 27.075 1.00 30.13 C ATOM 780 CG2 ILE A 44 -11.664 -1.379 27.569 1.00 29.25 C ATOM 781 CD1 ILE A 44 -10.698 -4.376 28.364 1.00 36.65 C ATOM 782 HA ILE A 44 -13.162 -3.780 27.204 1.00 0.00 H ATOM 783 HB ILE A 44 -11.065 -2.118 25.671 1.00 0.00 H ATOM 784 HG12 ILE A 44 -10.172 -4.268 26.267 1.00 0.00 H ATOM 785 HG13 ILE A 44 -9.437 -2.996 27.271 1.00 0.00 H ATOM 786 HD11 ILE A 44 -10.865 -3.689 29.194 1.00 0.00 H ATOM 787 HD12 ILE A 44 -11.600 -4.962 28.189 1.00 0.00 H ATOM 788 HD13 ILE A 44 -9.870 -5.043 28.604 1.00 0.00 H ATOM 789 HG21 ILE A 44 -12.364 -0.669 27.128 1.00 0.00 H ATOM 790 HG22 ILE A 44 -12.071 -1.758 28.506 1.00 0.00 H ATOM 791 HG23 ILE A 44 -10.712 -0.883 27.759 1.00 0.00 H ATOM 792 H ILE A 44 -12.078 -4.094 24.414 1.00 0.00 H ATOM 793 N LEU A 45 -13.817 -1.748 24.703 1.00 30.24 N ATOM 794 CA LEU A 45 -14.759 -0.739 24.246 1.00 30.91 C ATOM 795 C LEU A 45 -15.970 -1.333 23.523 1.00 32.23 C ATOM 796 O LEU A 45 -15.985 -2.485 23.030 1.00 33.12 O ATOM 797 CB LEU A 45 -14.053 0.323 23.386 1.00 30.43 C ATOM 798 CG LEU A 45 -12.889 1.063 24.057 1.00 30.14 C ATOM 799 CD1 LEU A 45 -12.102 1.903 23.029 1.00 29.18 C ATOM 800 CD2 LEU A 45 -13.386 1.946 25.211 1.00 32.17 C ATOM 801 HA LEU A 45 -15.152 -0.252 25.138 1.00 0.00 H ATOM 802 HB2 LEU A 45 -13.666 -0.172 22.495 1.00 0.00 H ATOM 803 HB3 LEU A 45 -14.796 1.065 23.094 1.00 0.00 H ATOM 804 HG LEU A 45 -12.215 0.313 24.472 1.00 0.00 H ATOM 805 HD21 LEU A 45 -14.092 2.682 24.826 1.00 0.00 H ATOM 806 HD22 LEU A 45 -13.880 1.323 25.957 1.00 0.00 H ATOM 807 HD23 LEU A 45 -12.538 2.457 25.667 1.00 0.00 H ATOM 808 HD11 LEU A 45 -11.701 1.247 22.256 1.00 0.00 H ATOM 809 HD12 LEU A 45 -12.768 2.637 22.575 1.00 0.00 H ATOM 810 HD13 LEU A 45 -11.283 2.417 23.532 1.00 0.00 H ATOM 811 H LEU A 45 -13.074 -2.078 24.054 1.00 0.00 H TER 812 LEU A 45 HETATM 813 CA ACE B 0 25.387 -12.306 -25.050 1.00 34.59 C HETATM 814 C ACE B 0 25.606 -11.566 -23.764 1.00 34.84 C HETATM 815 O ACE B 0 24.681 -11.309 -22.993 1.00 34.87 O HETATM 816 H3 ACE B 0 26.339 -12.421 -25.568 1.00 0.00 H HETATM 817 H2 ACE B 0 24.695 -11.744 -25.678 1.00 0.00 H HETATM 818 H1 ACE B 0 24.968 -13.289 -24.835 1.00 0.00 H ATOM 819 N ARG B 1 26.807 -11.019 -23.609 1.00 34.16 N ATOM 820 CA ARG B 1 27.249 -10.552 -22.307 1.00 34.16 C ATOM 821 C ARG B 1 26.620 -9.189 -21.963 1.00 33.77 C ATOM 822 O ARG B 1 26.090 -8.982 -20.852 1.00 33.55 O ATOM 823 CB ARG B 1 28.776 -10.497 -22.279 1.00 34.18 C ATOM 824 CG ARG B 1 29.369 -10.549 -20.894 1.00 34.18 C ATOM 825 CD ARG B 1 30.884 -10.486 -20.909 1.00 34.55 C ATOM 826 NE ARG B 1 31.371 -10.146 -19.579 1.00 32.76 N ATOM 827 CZ ARG B 1 32.647 -10.106 -19.213 1.00 38.65 C ATOM 828 NH1 ARG B 1 33.617 -10.403 -20.090 1.00 35.24 N ATOM 829 NH2 ARG B 1 32.964 -9.783 -17.964 1.00 34.20 N ATOM 830 HA ARG B 1 26.914 -11.252 -21.542 1.00 0.00 H ATOM 831 HB2 ARG B 1 29.160 -11.344 -22.848 1.00 0.00 H ATOM 832 HB3 ARG B 1 29.094 -9.568 -22.753 1.00 0.00 H ATOM 833 HG2 ARG B 1 28.989 -9.705 -20.319 1.00 0.00 H ATOM 834 HG3 ARG B 1 29.062 -11.480 -20.417 1.00 0.00 H ATOM 835 HD2 ARG B 1 31.209 -9.726 -21.620 1.00 0.00 H ATOM 836 HD3 ARG B 1 31.285 -11.455 -21.206 1.00 0.00 H ATOM 837 HE ARG B 1 30.660 -9.915 -18.856 1.00 0.00 H ATOM 838 HH12 ARG B 1 34.614 -10.369 -19.794 1.00 0.00 H ATOM 839 HH11 ARG B 1 33.373 -10.667 -21.066 1.00 0.00 H ATOM 840 HH22 ARG B 1 33.962 -9.750 -17.673 1.00 0.00 H ATOM 841 HH21 ARG B 1 32.214 -9.563 -17.278 1.00 0.00 H ATOM 842 H ARG B 1 27.438 -10.924 -24.430 1.00 0.00 H ATOM 843 N MET B 2 26.664 -8.268 -22.925 1.00 33.29 N ATOM 844 CA MET B 2 26.060 -6.953 -22.756 1.00 32.97 C ATOM 845 C MET B 2 24.534 -7.045 -22.690 1.00 33.22 C ATOM 846 O MET B 2 23.894 -6.303 -21.940 1.00 31.49 O ATOM 847 CB MET B 2 26.534 -5.998 -23.864 1.00 32.54 C ATOM 848 CG MET B 2 25.983 -4.584 -23.740 1.00 34.24 C ATOM 849 SD MET B 2 26.353 -3.815 -22.147 1.00 34.02 S ATOM 850 CE MET B 2 28.002 -3.192 -22.459 1.00 34.31 C ATOM 851 HA MET B 2 26.390 -6.542 -21.802 1.00 0.00 H ATOM 852 HB2 MET B 2 27.622 -5.946 -23.830 1.00 0.00 H ATOM 853 HB3 MET B 2 26.221 -6.405 -24.825 1.00 0.00 H ATOM 854 HG2 MET B 2 24.901 -4.621 -23.864 1.00 0.00 H ATOM 855 HG3 MET B 2 26.417 -3.972 -24.530 1.00 0.00 H ATOM 856 HE1 MET B 2 28.662 -4.023 -22.709 1.00 0.00 H ATOM 857 HE2 MET B 2 27.972 -2.487 -23.290 1.00 0.00 H ATOM 858 HE3 MET B 2 28.373 -2.688 -21.567 1.00 0.00 H ATOM 859 H MET B 2 27.142 -8.494 -23.820 1.00 0.00 H ATOM 860 N LYS B 3 23.964 -7.965 -23.463 1.00 33.28 N ATOM 861 CA LYS B 3 22.540 -8.271 -23.376 1.00 34.85 C ATOM 862 C LYS B 3 22.140 -8.648 -21.943 1.00 34.71 C ATOM 863 O LYS B 3 21.149 -8.117 -21.407 1.00 35.14 O ATOM 864 CB LYS B 3 22.176 -9.407 -24.340 1.00 34.98 C ATOM 865 CG LYS B 3 20.691 -9.789 -24.326 1.00 37.55 C ATOM 866 CD LYS B 3 19.857 -8.693 -24.956 1.00 42.60 C ATOM 867 CE LYS B 3 18.544 -9.238 -25.500 1.00 45.14 C ATOM 868 NZ LYS B 3 17.638 -9.665 -24.407 1.00 47.18 N ATOM 869 HA LYS B 3 21.988 -7.375 -23.659 1.00 0.00 H ATOM 870 HB2 LYS B 3 22.440 -9.096 -25.351 1.00 0.00 H ATOM 871 HB3 LYS B 3 22.759 -10.287 -24.068 1.00 0.00 H ATOM 872 HG2 LYS B 3 20.552 -10.713 -24.887 1.00 0.00 H ATOM 873 HG3 LYS B 3 20.368 -9.939 -23.296 1.00 0.00 H ATOM 874 HD2 LYS B 3 19.642 -7.934 -24.204 1.00 0.00 H ATOM 875 HD3 LYS B 3 20.421 -8.243 -25.773 1.00 0.00 H ATOM 876 HE2 LYS B 3 18.754 -10.094 -26.141 1.00 0.00 H ATOM 877 HE3 LYS B 3 18.052 -8.460 -26.084 1.00 0.00 H ATOM 878 HZ1 LYS B 3 18.099 -10.412 -23.848 1.00 0.00 H ATOM 879 HZ2 LYS B 3 17.428 -8.851 -23.794 1.00 0.00 H ATOM 880 HZ3 LYS B 3 16.754 -10.031 -24.814 1.00 0.00 H ATOM 881 H LYS B 3 24.550 -8.481 -24.149 1.00 0.00 H ATOM 882 N GLN B 4 22.903 -9.555 -21.327 1.00 34.93 N ATOM 883 CA GLN B 4 22.587 -10.017 -19.952 1.00 34.78 C ATOM 884 C GLN B 4 22.609 -8.841 -18.968 1.00 34.11 C ATOM 885 O GLN B 4 21.713 -8.698 -18.127 1.00 33.89 O ATOM 886 CB GLN B 4 23.523 -11.169 -19.499 1.00 34.56 C ATOM 887 CG GLN B 4 23.119 -11.808 -18.137 1.00 36.95 C ATOM 888 CD GLN B 4 23.307 -13.337 -18.055 1.00 40.47 C ATOM 889 OE1 GLN B 4 24.301 -13.901 -18.540 1.00 44.21 O ATOM 890 NE2 GLN B 4 22.349 -14.009 -17.408 1.00 43.87 N ATOM 891 HA GLN B 4 21.577 -10.426 -19.961 1.00 0.00 H ATOM 892 HB2 GLN B 4 23.506 -11.947 -20.262 1.00 0.00 H ATOM 893 HB3 GLN B 4 24.535 -10.774 -19.407 1.00 0.00 H ATOM 894 HG2 GLN B 4 23.724 -11.350 -17.355 1.00 0.00 H ATOM 895 HG3 GLN B 4 22.067 -11.586 -17.957 1.00 0.00 H ATOM 896 HE22 GLN B 4 21.531 -13.500 -17.016 1.00 0.00 H ATOM 897 HE21 GLN B 4 22.422 -15.041 -17.297 1.00 0.00 H ATOM 898 H GLN B 4 23.733 -9.944 -21.819 1.00 0.00 H ATOM 899 N ILE B 5 23.621 -7.985 -19.095 1.00 33.44 N ATOM 900 CA ILE B 5 23.715 -6.780 -18.265 1.00 33.40 C ATOM 901 C ILE B 5 22.501 -5.858 -18.418 1.00 33.61 C ATOM 902 O ILE B 5 21.938 -5.372 -17.420 1.00 33.29 O ATOM 903 CB ILE B 5 25.015 -5.999 -18.608 1.00 32.77 C ATOM 904 CG1 ILE B 5 26.206 -6.693 -17.941 1.00 33.38 C ATOM 905 CG2 ILE B 5 24.906 -4.529 -18.147 1.00 32.83 C ATOM 906 CD1 ILE B 5 27.583 -6.178 -18.400 1.00 33.06 C ATOM 907 HA ILE B 5 23.739 -7.111 -17.227 1.00 0.00 H ATOM 908 HB ILE B 5 25.161 -5.995 -19.688 1.00 0.00 H ATOM 909 HG12 ILE B 5 26.128 -6.544 -16.864 1.00 0.00 H ATOM 910 HG13 ILE B 5 26.149 -7.758 -18.164 1.00 0.00 H ATOM 911 HD11 ILE B 5 27.687 -6.330 -19.474 1.00 0.00 H ATOM 912 HD12 ILE B 5 27.666 -5.115 -18.173 1.00 0.00 H ATOM 913 HD13 ILE B 5 28.367 -6.725 -17.877 1.00 0.00 H ATOM 914 HG21 ILE B 5 24.065 -4.053 -18.651 1.00 0.00 H ATOM 915 HG22 ILE B 5 24.750 -4.498 -17.069 1.00 0.00 H ATOM 916 HG23 ILE B 5 25.827 -4.002 -18.397 1.00 0.00 H ATOM 917 H ILE B 5 24.362 -8.176 -19.799 1.00 0.00 H ATOM 918 N GLU B 6 22.121 -5.599 -19.671 1.00 34.68 N ATOM 919 CA GLU B 6 20.981 -4.742 -19.975 1.00 35.92 C ATOM 920 C GLU B 6 19.684 -5.339 -19.437 1.00 36.04 C ATOM 921 O GLU B 6 18.902 -4.631 -18.766 1.00 36.32 O ATOM 922 CB GLU B 6 20.916 -4.448 -21.477 1.00 36.72 C ATOM 923 CG GLU B 6 21.995 -3.443 -21.891 1.00 37.82 C ATOM 924 CD GLU B 6 22.265 -3.406 -23.386 1.00 40.90 C ATOM 925 OE1 GLU B 6 23.236 -2.730 -23.786 1.00 38.48 O ATOM 926 OE2 GLU B 6 21.515 -4.044 -24.158 1.00 41.59 O ATOM 927 HA GLU B 6 21.115 -3.787 -19.466 1.00 0.00 H ATOM 928 HB2 GLU B 6 21.064 -5.377 -22.028 1.00 0.00 H ATOM 929 HB3 GLU B 6 19.936 -4.037 -21.717 1.00 0.00 H ATOM 930 HG2 GLU B 6 21.677 -2.449 -21.575 1.00 0.00 H ATOM 931 HG3 GLU B 6 22.922 -3.706 -21.381 1.00 0.00 H ATOM 932 H GLU B 6 22.656 -6.022 -20.456 1.00 0.00 H ATOM 933 N ASP B 7 19.479 -6.637 -19.684 1.00 35.65 N ATOM 934 CA ASP B 7 18.306 -7.359 -19.161 1.00 35.92 C ATOM 935 C ASP B 7 18.248 -7.305 -17.626 1.00 35.14 C ATOM 936 O ASP B 7 17.202 -6.976 -17.048 1.00 34.58 O ATOM 937 CB ASP B 7 18.281 -8.816 -19.643 1.00 35.85 C ATOM 938 CG ASP B 7 17.960 -8.954 -21.149 1.00 38.56 C ATOM 939 OD1 ASP B 7 18.224 -10.044 -21.694 1.00 41.12 O ATOM 940 OD2 ASP B 7 17.445 -8.003 -21.793 1.00 40.89 O ATOM 941 HA ASP B 7 17.423 -6.854 -19.553 1.00 0.00 H ATOM 942 HB2 ASP B 7 19.258 -9.260 -19.455 1.00 0.00 H ATOM 943 HB3 ASP B 7 17.523 -9.356 -19.076 1.00 0.00 H ATOM 944 H ASP B 7 20.170 -7.154 -20.264 1.00 0.00 H ATOM 945 N LYS B 8 19.376 -7.593 -16.975 1.00 34.11 N ATOM 946 CA LYS B 8 19.421 -7.662 -15.505 1.00 35.03 C ATOM 947 C LYS B 8 19.168 -6.306 -14.878 1.00 34.52 C ATOM 948 O LYS B 8 18.546 -6.208 -13.806 1.00 34.53 O ATOM 949 CB LYS B 8 20.750 -8.241 -15.022 1.00 35.29 C ATOM 950 CG LYS B 8 20.922 -9.724 -15.349 1.00 36.59 C ATOM 951 CD LYS B 8 22.180 -10.289 -14.757 1.00 39.28 C ATOM 952 CE LYS B 8 22.090 -11.815 -14.696 1.00 41.92 C ATOM 953 NZ LYS B 8 23.425 -12.441 -14.841 1.00 43.69 N ATOM 954 HA LYS B 8 18.622 -8.331 -15.186 1.00 0.00 H ATOM 955 HB2 LYS B 8 21.561 -7.687 -15.495 1.00 0.00 H ATOM 956 HB3 LYS B 8 20.809 -8.116 -13.941 1.00 0.00 H ATOM 957 HG2 LYS B 8 20.068 -10.273 -14.952 1.00 0.00 H ATOM 958 HG3 LYS B 8 20.958 -9.844 -16.432 1.00 0.00 H ATOM 959 HD2 LYS B 8 23.031 -10.002 -15.375 1.00 0.00 H ATOM 960 HD3 LYS B 8 22.314 -9.894 -13.750 1.00 0.00 H ATOM 961 HE2 LYS B 8 21.444 -12.165 -15.501 1.00 0.00 H ATOM 962 HE3 LYS B 8 21.663 -12.107 -13.737 1.00 0.00 H ATOM 963 HZ1 LYS B 8 23.836 -12.170 -15.757 1.00 0.00 H ATOM 964 HZ2 LYS B 8 24.045 -12.115 -14.072 1.00 0.00 H ATOM 965 HZ3 LYS B 8 23.328 -13.475 -14.795 1.00 0.00 H ATOM 966 H LYS B 8 20.244 -7.773 -17.519 1.00 0.00 H ATOM 967 N ILE B 9 19.641 -5.255 -15.548 1.00 34.30 N ATOM 968 CA ILE B 9 19.378 -3.895 -15.087 1.00 34.62 C ATOM 969 C ILE B 9 17.884 -3.601 -15.151 1.00 35.71 C ATOM 970 O ILE B 9 17.315 -3.091 -14.177 1.00 35.57 O ATOM 971 CB ILE B 9 20.230 -2.843 -15.852 1.00 34.29 C ATOM 972 CG1 ILE B 9 21.658 -2.824 -15.273 1.00 33.04 C ATOM 973 CG2 ILE B 9 19.583 -1.453 -15.764 1.00 34.23 C ATOM 974 CD1 ILE B 9 22.681 -1.948 -16.059 1.00 33.78 C ATOM 975 HA ILE B 9 19.687 -3.819 -14.045 1.00 0.00 H ATOM 976 HB ILE B 9 20.279 -3.117 -16.906 1.00 0.00 H ATOM 977 HG12 ILE B 9 21.603 -2.445 -14.252 1.00 0.00 H ATOM 978 HG13 ILE B 9 22.031 -3.848 -15.260 1.00 0.00 H ATOM 979 HD11 ILE B 9 22.764 -2.318 -17.081 1.00 0.00 H ATOM 980 HD12 ILE B 9 22.337 -0.914 -16.073 1.00 0.00 H ATOM 981 HD13 ILE B 9 23.654 -2.002 -15.571 1.00 0.00 H ATOM 982 HG21 ILE B 9 18.587 -1.489 -16.205 1.00 0.00 H ATOM 983 HG22 ILE B 9 19.508 -1.154 -14.718 1.00 0.00 H ATOM 984 HG23 ILE B 9 20.196 -0.733 -16.306 1.00 0.00 H ATOM 985 H ILE B 9 20.204 -5.406 -16.409 1.00 0.00 H ATOM 986 N GLU B 10 17.241 -3.946 -16.270 1.00 36.27 N ATOM 987 CA GLU B 10 15.782 -3.799 -16.365 1.00 38.45 C ATOM 988 C GLU B 10 15.025 -4.560 -15.266 1.00 38.50 C ATOM 989 O GLU B 10 14.050 -4.037 -14.707 1.00 38.75 O ATOM 990 CB GLU B 10 15.272 -4.205 -17.743 1.00 39.32 C ATOM 991 CG GLU B 10 15.451 -3.109 -18.779 1.00 44.30 C ATOM 992 CD GLU B 10 14.447 -3.213 -19.912 1.00 49.04 C ATOM 993 OE1 GLU B 10 13.461 -2.442 -19.883 1.00 52.40 O ATOM 994 OE2 GLU B 10 14.637 -4.065 -20.821 1.00 51.27 O ATOM 995 HA GLU B 10 15.578 -2.739 -16.213 1.00 0.00 H ATOM 996 HB2 GLU B 10 15.819 -5.089 -18.071 1.00 0.00 H ATOM 997 HB3 GLU B 10 14.211 -4.443 -17.667 1.00 0.00 H ATOM 998 HG2 GLU B 10 15.329 -2.142 -18.291 1.00 0.00 H ATOM 999 HG3 GLU B 10 16.456 -3.181 -19.194 1.00 0.00 H ATOM 1000 H GLU B 10 17.776 -4.321 -17.079 1.00 0.00 H ATOM 1001 N GLU B 11 15.463 -5.782 -14.961 1.00 38.37 N ATOM 1002 CA GLU B 11 14.815 -6.606 -13.930 1.00 39.16 C ATOM 1003 C GLU B 11 14.939 -5.964 -12.544 1.00 38.05 C ATOM 1004 O GLU B 11 13.975 -5.959 -11.745 1.00 37.42 O ATOM 1005 CB GLU B 11 15.412 -8.016 -13.893 1.00 39.50 C ATOM 1006 CG GLU B 11 15.017 -8.901 -15.068 1.00 41.97 C ATOM 1007 CD GLU B 11 15.819 -10.205 -15.161 1.00 42.49 C ATOM 1008 OE1 GLU B 11 15.483 -11.015 -16.054 1.00 48.48 O ATOM 1009 OE2 GLU B 11 16.773 -10.432 -14.367 1.00 47.11 O ATOM 1010 HA GLU B 11 13.759 -6.674 -14.193 1.00 0.00 H ATOM 1011 HB2 GLU B 11 16.498 -7.926 -13.885 1.00 0.00 H ATOM 1012 HB3 GLU B 11 15.082 -8.502 -12.975 1.00 0.00 H ATOM 1013 HG2 GLU B 11 13.961 -9.153 -14.968 1.00 0.00 H ATOM 1014 HG3 GLU B 11 15.169 -8.338 -15.989 1.00 0.00 H ATOM 1015 H GLU B 11 16.287 -6.164 -15.467 1.00 0.00 H ATOM 1016 N ILE B 12 16.126 -5.421 -12.278 1.00 36.86 N ATOM 1017 CA ILE B 12 16.438 -4.749 -11.020 1.00 36.37 C ATOM 1018 C ILE B 12 15.559 -3.505 -10.843 1.00 36.49 C ATOM 1019 O ILE B 12 14.964 -3.304 -9.780 1.00 34.99 O ATOM 1020 CB ILE B 12 17.945 -4.386 -10.926 1.00 36.08 C ATOM 1021 CG1 ILE B 12 18.786 -5.647 -10.682 1.00 35.26 C ATOM 1022 CG2 ILE B 12 18.196 -3.370 -9.824 1.00 36.50 C ATOM 1023 CD1 ILE B 12 20.320 -5.421 -10.810 1.00 36.28 C ATOM 1024 HA ILE B 12 16.221 -5.442 -10.207 1.00 0.00 H ATOM 1025 HB ILE B 12 18.242 -3.940 -11.875 1.00 0.00 H ATOM 1026 HG12 ILE B 12 18.576 -6.010 -9.676 1.00 0.00 H ATOM 1027 HG13 ILE B 12 18.489 -6.403 -11.409 1.00 0.00 H ATOM 1028 HD11 ILE B 12 20.552 -5.069 -11.815 1.00 0.00 H ATOM 1029 HD12 ILE B 12 20.638 -4.676 -10.081 1.00 0.00 H ATOM 1030 HD13 ILE B 12 20.841 -6.360 -10.623 1.00 0.00 H ATOM 1031 HG21 ILE B 12 17.631 -2.462 -10.033 1.00 0.00 H ATOM 1032 HG22 ILE B 12 17.877 -3.786 -8.868 1.00 0.00 H ATOM 1033 HG23 ILE B 12 19.260 -3.136 -9.783 1.00 0.00 H ATOM 1034 H ILE B 12 16.869 -5.479 -13.004 1.00 0.00 H ATOM 1035 N GLU B 13 15.452 -2.699 -11.893 1.00 36.82 N ATOM 1036 CA GLU B 13 14.647 -1.479 -11.854 1.00 38.19 C ATOM 1037 C GLU B 13 13.165 -1.790 -11.597 1.00 38.47 C ATOM 1038 O GLU B 13 12.510 -1.092 -10.818 1.00 38.57 O ATOM 1039 CB GLU B 13 14.827 -0.659 -13.135 1.00 38.59 C ATOM 1040 CG GLU B 13 16.180 0.043 -13.199 1.00 39.88 C ATOM 1041 CD GLU B 13 16.444 0.717 -14.539 1.00 42.76 C ATOM 1042 OE1 GLU B 13 16.202 0.097 -15.603 1.00 45.41 O ATOM 1043 OE2 GLU B 13 16.927 1.870 -14.528 1.00 46.48 O ATOM 1044 HA GLU B 13 15.003 -0.877 -11.018 1.00 0.00 H ATOM 1045 HB2 GLU B 13 14.739 -1.327 -13.992 1.00 0.00 H ATOM 1046 HB3 GLU B 13 14.040 0.094 -13.181 1.00 0.00 H ATOM 1047 HG2 GLU B 13 16.214 0.801 -12.417 1.00 0.00 H ATOM 1048 HG3 GLU B 13 16.962 -0.695 -13.022 1.00 0.00 H ATOM 1049 H GLU B 13 15.956 -2.943 -12.769 1.00 0.00 H ATOM 1050 N SER B 14 12.661 -2.844 -12.243 1.00 38.61 N ATOM 1051 CA SER B 14 11.282 -3.303 -12.050 1.00 38.67 C ATOM 1052 C SER B 14 11.070 -3.797 -10.618 1.00 38.38 C ATOM 1053 O SER B 14 10.038 -3.483 -9.986 1.00 38.02 O ATOM 1054 CB SER B 14 10.945 -4.445 -13.000 1.00 39.12 C ATOM 1055 OG SER B 14 10.513 -3.972 -14.269 1.00 42.59 O ATOM 1056 HA SER B 14 10.632 -2.452 -12.253 1.00 0.00 H ATOM 1057 HB2 SER B 14 10.150 -5.047 -12.559 1.00 0.00 H ATOM 1058 HB3 SER B 14 11.833 -5.062 -13.138 1.00 0.00 H ATOM 1059 HG SER B 14 10.305 -4.743 -14.854 1.00 0.00 H ATOM 1060 H SER B 14 13.271 -3.360 -12.909 1.00 0.00 H ATOM 1061 N LYS B 15 12.019 -4.593 -10.116 1.00 37.64 N ATOM 1062 CA LYS B 15 11.911 -5.104 -8.744 1.00 38.27 C ATOM 1063 C LYS B 15 11.967 -3.961 -7.720 1.00 37.62 C ATOM 1064 O LYS B 15 11.309 -4.013 -6.667 1.00 37.31 O ATOM 1065 CB LYS B 15 12.980 -6.163 -8.454 1.00 37.93 C ATOM 1066 CG LYS B 15 12.924 -6.716 -7.018 1.00 40.96 C ATOM 1067 CD LYS B 15 11.850 -7.782 -6.872 1.00 45.25 C ATOM 1068 CE LYS B 15 12.443 -9.182 -7.019 1.00 48.41 C ATOM 1069 NZ LYS B 15 13.123 -9.606 -5.747 1.00 50.02 N ATOM 1070 HA LYS B 15 10.939 -5.587 -8.649 1.00 0.00 H ATOM 1071 HB2 LYS B 15 12.842 -6.992 -9.149 1.00 0.00 H ATOM 1072 HB3 LYS B 15 13.961 -5.716 -8.614 1.00 0.00 H ATOM 1073 HG2 LYS B 15 13.892 -7.151 -6.768 1.00 0.00 H ATOM 1074 HG3 LYS B 15 12.707 -5.898 -6.331 1.00 0.00 H ATOM 1075 HD2 LYS B 15 11.389 -7.691 -5.888 1.00 0.00 H ATOM 1076 HD3 LYS B 15 11.093 -7.633 -7.642 1.00 0.00 H ATOM 1077 HE2 LYS B 15 13.171 -9.180 -7.831 1.00 0.00 H ATOM 1078 HE3 LYS B 15 11.644 -9.887 -7.251 1.00 0.00 H ATOM 1079 HZ1 LYS B 15 13.888 -8.937 -5.525 1.00 0.00 H ATOM 1080 HZ2 LYS B 15 12.431 -9.613 -4.971 1.00 0.00 H ATOM 1081 HZ3 LYS B 15 13.519 -10.560 -5.868 1.00 0.00 H ATOM 1082 H LYS B 15 12.839 -4.852 -10.701 1.00 0.00 H ATOM 1083 N GLN B 16 12.727 -2.917 -8.041 1.00 36.95 N ATOM 1084 CA GLN B 16 12.867 -1.773 -7.144 1.00 36.70 C ATOM 1085 C GLN B 16 11.555 -1.014 -7.037 1.00 36.88 C ATOM 1086 O GLN B 16 11.217 -0.525 -5.957 1.00 35.73 O ATOM 1087 CB GLN B 16 13.959 -0.830 -7.621 1.00 37.51 C ATOM 1088 CG GLN B 16 14.572 0.013 -6.522 1.00 38.61 C ATOM 1089 CD GLN B 16 15.953 0.513 -6.904 1.00 40.33 C ATOM 1090 OE1 GLN B 16 16.964 0.145 -6.292 1.00 40.03 O ATOM 1091 NE2 GLN B 16 16.002 1.345 -7.941 1.00 38.08 N ATOM 1092 HA GLN B 16 13.142 -2.158 -6.162 1.00 0.00 H ATOM 1093 HB2 GLN B 16 14.750 -1.425 -8.078 1.00 0.00 H ATOM 1094 HB3 GLN B 16 13.532 -0.161 -8.368 1.00 0.00 H ATOM 1095 HG2 GLN B 16 13.926 0.870 -6.331 1.00 0.00 H ATOM 1096 HG3 GLN B 16 14.652 -0.589 -5.617 1.00 0.00 H ATOM 1097 HE22 GLN B 16 15.125 1.626 -8.424 1.00 0.00 H ATOM 1098 HE21 GLN B 16 16.917 1.714 -8.269 1.00 0.00 H ATOM 1099 H GLN B 16 13.232 -2.916 -8.950 1.00 0.00 H ATOM 1100 N LYS B 17 10.844 -0.894 -8.161 1.00 36.52 N ATOM 1101 CA LYS B 17 9.531 -0.237 -8.186 1.00 36.97 C ATOM 1102 C LYS B 17 8.526 -1.056 -7.390 1.00 36.20 C ATOM 1103 O LYS B 17 7.712 -0.504 -6.623 1.00 36.48 O ATOM 1104 CB LYS B 17 9.038 -0.029 -9.629 1.00 37.70 C ATOM 1105 CG LYS B 17 9.841 1.013 -10.378 1.00 39.62 C ATOM 1106 CD LYS B 17 9.122 1.524 -11.624 1.00 42.71 C ATOM 1107 CE LYS B 17 9.958 2.588 -12.330 1.00 44.78 C ATOM 1108 NZ LYS B 17 10.569 3.557 -11.356 1.00 46.18 N ATOM 1109 HA LYS B 17 9.631 0.746 -7.727 1.00 0.00 H ATOM 1110 HB2 LYS B 17 9.112 -0.976 -10.163 1.00 0.00 H ATOM 1111 HB3 LYS B 17 7.996 0.289 -9.599 1.00 0.00 H ATOM 1112 HG2 LYS B 17 10.028 1.855 -9.712 1.00 0.00 H ATOM 1113 HG3 LYS B 17 10.791 0.572 -10.679 1.00 0.00 H ATOM 1114 HD2 LYS B 17 8.952 0.691 -12.306 1.00 0.00 H ATOM 1115 HD3 LYS B 17 8.164 1.956 -11.333 1.00 0.00 H ATOM 1116 HE2 LYS B 17 9.319 3.138 -13.021 1.00 0.00 H ATOM 1117 HE3 LYS B 17 10.756 2.097 -12.887 1.00 0.00 H ATOM 1118 HZ1 LYS B 17 9.814 4.035 -10.824 1.00 0.00 H ATOM 1119 HZ2 LYS B 17 11.186 3.041 -10.697 1.00 0.00 H ATOM 1120 HZ3 LYS B 17 11.128 4.263 -11.876 1.00 0.00 H ATOM 1121 H LYS B 17 11.232 -1.278 -9.046 1.00 0.00 H ATOM 1122 N LYS B 18 8.597 -2.375 -7.558 1.00 35.12 N ATOM 1123 CA LYS B 18 7.764 -3.313 -6.805 1.00 35.26 C ATOM 1124 C LYS B 18 7.965 -3.085 -5.288 1.00 34.51 C ATOM 1125 O LYS B 18 6.998 -2.948 -4.525 1.00 34.42 O ATOM 1126 CB LYS B 18 8.162 -4.746 -7.182 1.00 35.68 C ATOM 1127 CG LYS B 18 7.145 -5.803 -6.819 1.00 37.89 C ATOM 1128 CD LYS B 18 7.816 -7.010 -6.175 1.00 40.89 C ATOM 1129 CE LYS B 18 6.843 -8.172 -6.037 1.00 41.93 C ATOM 1130 NZ LYS B 18 7.032 -8.835 -4.718 1.00 42.98 N ATOM 1131 HA LYS B 18 6.713 -3.153 -7.046 1.00 0.00 H ATOM 1132 HB2 LYS B 18 8.319 -4.782 -8.260 1.00 0.00 H ATOM 1133 HB3 LYS B 18 9.096 -4.984 -6.672 1.00 0.00 H ATOM 1134 HG2 LYS B 18 6.425 -5.379 -6.119 1.00 0.00 H ATOM 1135 HG3 LYS B 18 6.626 -6.123 -7.722 1.00 0.00 H ATOM 1136 HD2 LYS B 18 8.657 -7.322 -6.794 1.00 0.00 H ATOM 1137 HD3 LYS B 18 8.178 -6.730 -5.186 1.00 0.00 H ATOM 1138 HE2 LYS B 18 7.025 -8.893 -6.834 1.00 0.00 H ATOM 1139 HE3 LYS B 18 5.821 -7.800 -6.112 1.00 0.00 H ATOM 1140 HZ1 LYS B 18 8.006 -9.192 -4.647 1.00 0.00 H ATOM 1141 HZ2 LYS B 18 6.857 -8.147 -3.958 1.00 0.00 H ATOM 1142 HZ3 LYS B 18 6.364 -9.628 -4.631 1.00 0.00 H ATOM 1143 H LYS B 18 9.272 -2.754 -8.253 1.00 0.00 H ATOM 1144 N ILE B 19 9.230 -3.040 -4.873 1.00 33.49 N ATOM 1145 CA ILE B 19 9.616 -2.819 -3.468 1.00 32.16 C ATOM 1146 C ILE B 19 9.147 -1.458 -2.936 1.00 31.67 C ATOM 1147 O ILE B 19 8.569 -1.375 -1.828 1.00 31.50 O ATOM 1148 CB ILE B 19 11.157 -3.015 -3.310 1.00 31.83 C ATOM 1149 CG1 ILE B 19 11.516 -4.509 -3.446 1.00 31.66 C ATOM 1150 CG2 ILE B 19 11.686 -2.407 -2.002 1.00 31.66 C ATOM 1151 CD1 ILE B 19 13.009 -4.789 -3.646 1.00 32.70 C ATOM 1152 HA ILE B 19 9.107 -3.562 -2.854 1.00 0.00 H ATOM 1153 HB ILE B 19 11.655 -2.472 -4.114 1.00 0.00 H ATOM 1154 HG12 ILE B 19 11.192 -5.021 -2.540 1.00 0.00 H ATOM 1155 HG13 ILE B 19 10.976 -4.912 -4.303 1.00 0.00 H ATOM 1156 HD11 ILE B 19 13.351 -4.296 -4.556 1.00 0.00 H ATOM 1157 HD12 ILE B 19 13.567 -4.405 -2.792 1.00 0.00 H ATOM 1158 HD13 ILE B 19 13.167 -5.864 -3.732 1.00 0.00 H ATOM 1159 HG21 ILE B 19 11.476 -1.337 -1.989 1.00 0.00 H ATOM 1160 HG22 ILE B 19 11.194 -2.885 -1.155 1.00 0.00 H ATOM 1161 HG23 ILE B 19 12.762 -2.568 -1.937 1.00 0.00 H ATOM 1162 H ILE B 19 9.985 -3.167 -5.577 1.00 0.00 H ATOM 1163 N GLU B 20 9.361 -0.398 -3.710 1.00 31.60 N ATOM 1164 CA GLU B 20 8.916 0.943 -3.322 1.00 32.64 C ATOM 1165 C GLU B 20 7.395 0.979 -3.112 1.00 33.35 C ATOM 1166 O GLU B 20 6.906 1.619 -2.169 1.00 33.06 O ATOM 1167 CB GLU B 20 9.323 1.977 -4.364 1.00 33.12 C ATOM 1168 CG GLU B 20 10.815 2.220 -4.393 1.00 34.27 C ATOM 1169 CD GLU B 20 11.308 2.830 -5.702 1.00 40.52 C ATOM 1170 OE1 GLU B 20 12.523 3.083 -5.790 1.00 42.73 O ATOM 1171 OE2 GLU B 20 10.501 3.047 -6.637 1.00 42.93 O ATOM 1172 HA GLU B 20 9.403 1.190 -2.379 1.00 0.00 H ATOM 1173 HB2 GLU B 20 9.007 1.625 -5.346 1.00 0.00 H ATOM 1174 HB3 GLU B 20 8.821 2.917 -4.137 1.00 0.00 H ATOM 1175 HG2 GLU B 20 11.070 2.898 -3.579 1.00 0.00 H ATOM 1176 HG3 GLU B 20 11.323 1.267 -4.243 1.00 0.00 H ATOM 1177 H GLU B 20 9.858 -0.524 -4.615 1.00 0.00 H ATOM 1178 N ASN B 21 6.663 0.286 -3.988 1.00 33.92 N ATOM 1179 CA ASN B 21 5.204 0.164 -3.867 1.00 35.45 C ATOM 1180 C ASN B 21 4.769 -0.549 -2.585 1.00 35.30 C ATOM 1181 O ASN B 21 3.865 -0.078 -1.888 1.00 35.64 O ATOM 1182 CB ASN B 21 4.623 -0.555 -5.083 1.00 35.96 C ATOM 1183 CG ASN B 21 4.594 0.323 -6.323 1.00 38.99 C ATOM 1184 OD1 ASN B 21 4.845 1.532 -6.255 1.00 42.36 O ATOM 1185 ND2 ASN B 21 4.267 -0.280 -7.466 1.00 41.01 N ATOM 1186 HA ASN B 21 4.813 1.180 -3.819 1.00 0.00 H ATOM 1187 HB2 ASN B 21 5.231 -1.435 -5.292 1.00 0.00 H ATOM 1188 HB3 ASN B 21 3.604 -0.866 -4.851 1.00 0.00 H ATOM 1189 HD22 ASN B 21 4.064 -1.300 -7.476 1.00 0.00 H ATOM 1190 HD21 ASN B 21 4.215 0.269 -8.347 1.00 0.00 H ATOM 1191 H ASN B 21 7.142 -0.183 -4.783 1.00 0.00 H ATOM 1192 N GLU B 22 5.421 -1.671 -2.279 1.00 34.73 N ATOM 1193 CA GLU B 22 5.181 -2.427 -1.045 1.00 34.59 C ATOM 1194 C GLU B 22 5.453 -1.550 0.188 1.00 32.92 C ATOM 1195 O GLU B 22 4.654 -1.542 1.170 1.00 31.35 O ATOM 1196 CB GLU B 22 6.065 -3.674 -0.997 1.00 34.97 C ATOM 1197 CG GLU B 22 5.671 -4.818 -1.938 1.00 37.21 C ATOM 1198 CD GLU B 22 6.664 -5.989 -1.864 1.00 38.09 C ATOM 1199 OE1 GLU B 22 6.253 -7.099 -1.450 1.00 42.64 O ATOM 1200 OE2 GLU B 22 7.857 -5.802 -2.196 1.00 41.84 O ATOM 1201 HA GLU B 22 4.135 -2.735 -1.036 1.00 0.00 H ATOM 1202 HB2 GLU B 22 7.082 -3.371 -1.248 1.00 0.00 H ATOM 1203 HB3 GLU B 22 6.043 -4.059 0.023 1.00 0.00 H ATOM 1204 HG2 GLU B 22 4.680 -5.178 -1.660 1.00 0.00 H ATOM 1205 HG3 GLU B 22 5.646 -4.441 -2.960 1.00 0.00 H ATOM 1206 H GLU B 22 6.134 -2.027 -2.947 1.00 0.00 H ATOM 1207 N ILE B 23 6.566 -0.807 0.130 1.00 31.43 N ATOM 1208 CA ILE B 23 6.946 0.126 1.207 1.00 30.48 C ATOM 1209 C ILE B 23 5.878 1.215 1.444 1.00 30.49 C ATOM 1210 O ILE B 23 5.478 1.471 2.590 1.00 29.71 O ATOM 1211 CB ILE B 23 8.354 0.752 0.951 1.00 30.69 C ATOM 1212 CG1 ILE B 23 9.433 -0.313 1.176 1.00 27.71 C ATOM 1213 CG2 ILE B 23 8.576 1.942 1.865 1.00 29.91 C ATOM 1214 CD1 ILE B 23 10.850 0.133 0.828 1.00 31.16 C ATOM 1215 HA ILE B 23 7.006 -0.460 2.124 1.00 0.00 H ATOM 1216 HB ILE B 23 8.412 1.103 -0.079 1.00 0.00 H ATOM 1217 HG12 ILE B 23 9.415 -0.598 2.228 1.00 0.00 H ATOM 1218 HG13 ILE B 23 9.189 -1.180 0.562 1.00 0.00 H ATOM 1219 HD11 ILE B 23 10.894 0.410 -0.225 1.00 0.00 H ATOM 1220 HD12 ILE B 23 11.120 0.992 1.442 1.00 0.00 H ATOM 1221 HD13 ILE B 23 11.544 -0.685 1.019 1.00 0.00 H ATOM 1222 HG21 ILE B 23 7.811 2.694 1.672 1.00 0.00 H ATOM 1223 HG22 ILE B 23 8.514 1.617 2.904 1.00 0.00 H ATOM 1224 HG23 ILE B 23 9.562 2.366 1.674 1.00 0.00 H ATOM 1225 H ILE B 23 7.183 -0.891 -0.703 1.00 0.00 H ATOM 1226 N ALA B 24 5.421 1.843 0.361 1.00 30.61 N ATOM 1227 CA ALA B 24 4.318 2.825 0.398 1.00 30.65 C ATOM 1228 C ALA B 24 3.088 2.321 1.156 1.00 31.16 C ATOM 1229 O ALA B 24 2.539 3.028 2.001 1.00 30.68 O ATOM 1230 CB ALA B 24 3.928 3.233 -1.034 1.00 31.00 C ATOM 1231 HA ALA B 24 4.687 3.692 0.945 1.00 0.00 H ATOM 1232 HB1 ALA B 24 4.790 3.679 -1.531 1.00 0.00 H ATOM 1233 HB2 ALA B 24 3.605 2.351 -1.587 1.00 0.00 H ATOM 1234 HB3 ALA B 24 3.114 3.957 -0.995 1.00 0.00 H ATOM 1235 H ALA B 24 5.863 1.631 -0.556 1.00 0.00 H ATOM 1236 N ARG B 25 2.686 1.095 0.843 1.00 30.81 N ATOM 1237 CA ARG B 25 1.478 0.490 1.397 1.00 31.18 C ATOM 1238 C ARG B 25 1.711 0.172 2.879 1.00 29.68 C ATOM 1239 O ARG B 25 0.844 0.439 3.717 1.00 28.45 O ATOM 1240 CB ARG B 25 1.100 -0.758 0.593 1.00 32.24 C ATOM 1241 CG ARG B 25 0.173 -0.462 -0.612 1.00 36.50 C ATOM 1242 CD ARG B 25 0.634 -0.986 -1.972 1.00 46.14 C ATOM 1243 NE ARG B 25 1.188 -2.341 -1.970 1.00 51.12 N ATOM 1244 CZ ARG B 25 1.796 -2.902 -3.018 1.00 53.10 C ATOM 1245 NH1 ARG B 25 1.921 -2.238 -4.165 1.00 54.30 N ATOM 1246 NH2 ARG B 25 2.281 -4.134 -2.926 1.00 54.19 N ATOM 1247 HA ARG B 25 0.641 1.185 1.326 1.00 0.00 H ATOM 1248 HB2 ARG B 25 2.015 -1.218 0.220 1.00 0.00 H ATOM 1249 HB3 ARG B 25 0.590 -1.455 1.258 1.00 0.00 H ATOM 1250 HG2 ARG B 25 -0.800 -0.905 -0.399 1.00 0.00 H ATOM 1251 HG3 ARG B 25 0.068 0.620 -0.692 1.00 0.00 H ATOM 1252 HD2 ARG B 25 1.401 -0.310 -2.351 1.00 0.00 H ATOM 1253 HD3 ARG B 25 -0.223 -0.974 -2.645 1.00 0.00 H ATOM 1254 HE ARG B 25 1.103 -2.901 -1.098 1.00 0.00 H ATOM 1255 HH12 ARG B 25 2.396 -2.684 -4.975 1.00 0.00 H ATOM 1256 HH11 ARG B 25 1.543 -1.273 -4.251 1.00 0.00 H ATOM 1257 HH22 ARG B 25 2.754 -4.569 -3.744 1.00 0.00 H ATOM 1258 HH21 ARG B 25 2.188 -4.664 -2.036 1.00 0.00 H ATOM 1259 H ARG B 25 3.257 0.541 0.173 1.00 0.00 H ATOM 1260 N ILE B 26 2.887 -0.376 3.192 1.00 28.35 N ATOM 1261 CA ILE B 26 3.280 -0.666 4.576 1.00 28.04 C ATOM 1262 C ILE B 26 3.217 0.605 5.404 1.00 28.12 C ATOM 1263 O ILE B 26 2.676 0.595 6.508 1.00 27.64 O ATOM 1264 CB ILE B 26 4.677 -1.367 4.667 1.00 27.91 C ATOM 1265 CG1 ILE B 26 4.551 -2.832 4.222 1.00 27.35 C ATOM 1266 CG2 ILE B 26 5.306 -1.251 6.085 1.00 25.74 C ATOM 1267 CD1 ILE B 26 5.867 -3.511 3.926 1.00 29.98 C ATOM 1268 HA ILE B 26 2.569 -1.381 4.990 1.00 0.00 H ATOM 1269 HB ILE B 26 5.359 -0.851 3.992 1.00 0.00 H ATOM 1270 HG12 ILE B 26 4.052 -3.388 5.016 1.00 0.00 H ATOM 1271 HG13 ILE B 26 3.941 -2.863 3.319 1.00 0.00 H ATOM 1272 HD11 ILE B 26 6.377 -2.978 3.124 1.00 0.00 H ATOM 1273 HD12 ILE B 26 6.488 -3.503 4.822 1.00 0.00 H ATOM 1274 HD13 ILE B 26 5.682 -4.541 3.620 1.00 0.00 H ATOM 1275 HG21 ILE B 26 5.439 -0.199 6.337 1.00 0.00 H ATOM 1276 HG22 ILE B 26 4.645 -1.720 6.814 1.00 0.00 H ATOM 1277 HG23 ILE B 26 6.273 -1.753 6.094 1.00 0.00 H ATOM 1278 H ILE B 26 3.551 -0.607 2.425 1.00 0.00 H ATOM 1279 N LYS B 27 3.739 1.703 4.864 1.00 27.61 N ATOM 1280 CA LYS B 27 3.788 2.968 5.608 1.00 27.89 C ATOM 1281 C LYS B 27 2.413 3.519 5.937 1.00 27.64 C ATOM 1282 O LYS B 27 2.194 4.027 7.037 1.00 28.43 O ATOM 1283 CB LYS B 27 4.567 4.017 4.832 1.00 28.20 C ATOM 1284 CG LYS B 27 6.087 3.802 4.926 1.00 29.01 C ATOM 1285 CD LYS B 27 6.831 4.713 3.972 1.00 35.67 C ATOM 1286 CE LYS B 27 6.508 6.161 4.230 1.00 37.08 C ATOM 1287 NZ LYS B 27 7.298 6.688 5.366 1.00 41.08 N ATOM 1288 HA LYS B 27 4.290 2.742 6.549 1.00 0.00 H ATOM 1289 HB2 LYS B 27 4.270 3.971 3.784 1.00 0.00 H ATOM 1290 HB3 LYS B 27 4.326 5.001 5.234 1.00 0.00 H ATOM 1291 HG2 LYS B 27 6.413 4.011 5.945 1.00 0.00 H ATOM 1292 HG3 LYS B 27 6.315 2.765 4.678 1.00 0.00 H ATOM 1293 HD2 LYS B 27 7.903 4.560 4.099 1.00 0.00 H ATOM 1294 HD3 LYS B 27 6.548 4.463 2.949 1.00 0.00 H ATOM 1295 HE2 LYS B 27 5.447 6.254 4.460 1.00 0.00 H ATOM 1296 HE3 LYS B 27 6.737 6.742 3.337 1.00 0.00 H ATOM 1297 HZ1 LYS B 27 7.080 6.140 6.222 1.00 0.00 H ATOM 1298 HZ2 LYS B 27 8.312 6.606 5.149 1.00 0.00 H ATOM 1299 HZ3 LYS B 27 7.055 7.687 5.521 1.00 0.00 H ATOM 1300 H LYS B 27 4.119 1.665 3.897 1.00 0.00 H ATOM 1301 N LYS B 28 1.491 3.407 4.986 1.00 27.50 N ATOM 1302 CA LYS B 28 0.115 3.875 5.212 1.00 27.27 C ATOM 1303 C LYS B 28 -0.524 3.061 6.319 1.00 27.14 C ATOM 1304 O LYS B 28 -1.153 3.625 7.218 1.00 27.13 O ATOM 1305 CB LYS B 28 -0.732 3.796 3.940 1.00 28.42 C ATOM 1306 CG LYS B 28 -0.359 4.825 2.870 1.00 29.50 C ATOM 1307 CD LYS B 28 -1.293 4.683 1.689 1.00 36.69 C ATOM 1308 CE LYS B 28 -1.082 5.756 0.627 1.00 41.10 C ATOM 1309 NZ LYS B 28 -2.337 5.967 -0.176 1.00 42.96 N ATOM 1310 HA LYS B 28 0.161 4.924 5.506 1.00 0.00 H ATOM 1311 HB2 LYS B 28 -0.614 2.800 3.512 1.00 0.00 H ATOM 1312 HB3 LYS B 28 -1.775 3.951 4.214 1.00 0.00 H ATOM 1313 HG2 LYS B 28 -0.447 5.829 3.285 1.00 0.00 H ATOM 1314 HG3 LYS B 28 0.667 4.656 2.545 1.00 0.00 H ATOM 1315 HD2 LYS B 28 -1.130 3.706 1.233 1.00 0.00 H ATOM 1316 HD3 LYS B 28 -2.320 4.748 2.049 1.00 0.00 H ATOM 1317 HE2 LYS B 28 -0.278 5.445 -0.041 1.00 0.00 H ATOM 1318 HE3 LYS B 28 -0.807 6.692 1.114 1.00 0.00 H ATOM 1319 HZ1 LYS B 28 -2.601 5.077 -0.645 1.00 0.00 H ATOM 1320 HZ2 LYS B 28 -3.106 6.267 0.457 1.00 0.00 H ATOM 1321 HZ3 LYS B 28 -2.169 6.702 -0.893 1.00 0.00 H ATOM 1322 H LYS B 28 1.746 2.983 4.071 1.00 0.00 H ATOM 1323 N LEU B 29 -0.372 1.740 6.275 1.00 26.15 N ATOM 1324 CA LEU B 29 -1.017 0.909 7.298 1.00 25.73 C ATOM 1325 C LEU B 29 -0.402 1.170 8.693 1.00 25.21 C ATOM 1326 O LEU B 29 -1.121 1.243 9.722 1.00 25.45 O ATOM 1327 CB LEU B 29 -0.942 -0.570 6.931 1.00 25.52 C ATOM 1328 CG LEU B 29 -1.541 -1.539 7.975 1.00 25.29 C ATOM 1329 CD1 LEU B 29 -2.997 -1.146 8.354 1.00 25.85 C ATOM 1330 CD2 LEU B 29 -1.479 -2.979 7.490 1.00 26.77 C ATOM 1331 HA LEU B 29 -2.070 1.187 7.341 1.00 0.00 H ATOM 1332 HB2 LEU B 29 -1.478 -0.712 5.992 1.00 0.00 H ATOM 1333 HB3 LEU B 29 0.107 -0.830 6.792 1.00 0.00 H ATOM 1334 HG LEU B 29 -0.932 -1.459 8.875 1.00 0.00 H ATOM 1335 HD21 LEU B 29 -2.045 -3.073 6.563 1.00 0.00 H ATOM 1336 HD22 LEU B 29 -0.440 -3.257 7.313 1.00 0.00 H ATOM 1337 HD23 LEU B 29 -1.908 -3.635 8.247 1.00 0.00 H ATOM 1338 HD11 LEU B 29 -3.003 -0.140 8.775 1.00 0.00 H ATOM 1339 HD12 LEU B 29 -3.623 -1.172 7.462 1.00 0.00 H ATOM 1340 HD13 LEU B 29 -3.382 -1.851 9.090 1.00 0.00 H ATOM 1341 H LEU B 29 0.198 1.301 5.524 1.00 0.00 H ATOM 1342 N LEU B 30 0.927 1.322 8.718 1.00 25.83 N ATOM 1343 CA LEU B 30 1.644 1.632 9.939 1.00 25.86 C ATOM 1344 C LEU B 30 1.154 2.941 10.532 1.00 26.43 C ATOM 1345 O LEU B 30 0.956 3.028 11.744 1.00 26.94 O ATOM 1346 CB LEU B 30 3.162 1.659 9.662 1.00 25.64 C ATOM 1347 CG LEU B 30 4.092 1.686 10.853 1.00 26.08 C ATOM 1348 CD1 LEU B 30 3.741 0.613 11.877 1.00 25.18 C ATOM 1349 CD2 LEU B 30 5.543 1.517 10.326 1.00 26.50 C ATOM 1350 HA LEU B 30 1.450 0.854 10.677 1.00 0.00 H ATOM 1351 HB2 LEU B 30 3.403 0.769 9.080 1.00 0.00 H ATOM 1352 HB3 LEU B 30 3.369 2.548 9.066 1.00 0.00 H ATOM 1353 HG LEU B 30 3.990 2.638 11.375 1.00 0.00 H ATOM 1354 HD21 LEU B 30 5.629 0.566 9.800 1.00 0.00 H ATOM 1355 HD22 LEU B 30 5.778 2.334 9.643 1.00 0.00 H ATOM 1356 HD23 LEU B 30 6.237 1.533 11.166 1.00 0.00 H ATOM 1357 HD11 LEU B 30 2.724 0.773 12.235 1.00 0.00 H ATOM 1358 HD12 LEU B 30 3.813 -0.370 11.411 1.00 0.00 H ATOM 1359 HD13 LEU B 30 4.436 0.671 12.715 1.00 0.00 H ATOM 1360 H LEU B 30 1.463 1.214 7.833 1.00 0.00 H ATOM 1361 N GLN B 31 0.938 3.962 9.701 1.00 26.33 N ATOM 1362 CA GLN B 31 0.375 5.209 10.214 1.00 27.16 C ATOM 1363 C GLN B 31 -1.039 5.013 10.823 1.00 25.96 C ATOM 1364 O GLN B 31 -1.368 5.598 11.869 1.00 26.05 O ATOM 1365 CB GLN B 31 0.381 6.306 9.157 1.00 28.71 C ATOM 1366 CG GLN B 31 1.775 6.900 8.913 1.00 29.63 C ATOM 1367 CD GLN B 31 2.502 7.342 10.192 1.00 32.94 C ATOM 1368 OE1 GLN B 31 1.990 8.162 10.981 1.00 37.34 O ATOM 1369 NE2 GLN B 31 3.691 6.802 10.402 1.00 32.54 N ATOM 1370 HA GLN B 31 1.025 5.532 11.027 1.00 0.00 H ATOM 1371 HB2 GLN B 31 0.013 5.887 8.220 1.00 0.00 H ATOM 1372 HB3 GLN B 31 -0.285 7.105 9.482 1.00 0.00 H ATOM 1373 HG2 GLN B 31 2.386 6.147 8.415 1.00 0.00 H ATOM 1374 HG3 GLN B 31 1.668 7.768 8.262 1.00 0.00 H ATOM 1375 HE22 GLN B 31 4.081 6.122 9.719 1.00 0.00 H ATOM 1376 HE21 GLN B 31 4.236 7.057 11.250 1.00 0.00 H ATOM 1377 H GLN B 31 1.170 3.871 8.691 1.00 0.00 H ATOM 1378 N LEU B 32 -1.849 4.175 10.195 1.00 24.16 N ATOM 1379 CA LEU B 32 -3.176 3.809 10.778 1.00 24.22 C ATOM 1380 C LEU B 32 -3.029 3.180 12.170 1.00 23.77 C ATOM 1381 O LEU B 32 -3.739 3.553 13.112 1.00 22.75 O ATOM 1382 CB LEU B 32 -3.943 2.862 9.858 1.00 24.12 C ATOM 1383 CG LEU B 32 -4.604 3.471 8.606 1.00 25.97 C ATOM 1384 CD1 LEU B 32 -5.050 2.362 7.685 1.00 28.81 C ATOM 1385 CD2 LEU B 32 -5.804 4.363 8.973 1.00 30.63 C ATOM 1386 HA LEU B 32 -3.743 4.734 10.879 1.00 0.00 H ATOM 1387 HB2 LEU B 32 -3.244 2.097 9.520 1.00 0.00 H ATOM 1388 HB3 LEU B 32 -4.731 2.397 10.450 1.00 0.00 H ATOM 1389 HG LEU B 32 -3.868 4.099 8.104 1.00 0.00 H ATOM 1390 HD21 LEU B 32 -6.550 3.768 9.500 1.00 0.00 H ATOM 1391 HD22 LEU B 32 -5.467 5.177 9.614 1.00 0.00 H ATOM 1392 HD23 LEU B 32 -6.242 4.773 8.063 1.00 0.00 H ATOM 1393 HD11 LEU B 32 -4.186 1.768 7.388 1.00 0.00 H ATOM 1394 HD12 LEU B 32 -5.768 1.727 8.204 1.00 0.00 H ATOM 1395 HD13 LEU B 32 -5.517 2.793 6.800 1.00 0.00 H ATOM 1396 H LEU B 32 -1.558 3.766 9.284 1.00 0.00 H ATOM 1397 N THR B 33 -2.109 2.221 12.303 1.00 22.83 N ATOM 1398 CA THR B 33 -1.939 1.526 13.616 1.00 22.62 C ATOM 1399 C THR B 33 -1.439 2.474 14.703 1.00 22.48 C ATOM 1400 O THR B 33 -1.873 2.397 15.857 1.00 22.07 O ATOM 1401 CB THR B 33 -1.012 0.301 13.531 1.00 22.48 C ATOM 1402 OG1 THR B 33 0.288 0.740 13.116 1.00 22.35 O ATOM 1403 CG2 THR B 33 -1.578 -0.771 12.562 1.00 23.16 C ATOM 1404 HA THR B 33 -2.934 1.173 13.886 1.00 0.00 H ATOM 1405 HB THR B 33 -0.943 -0.169 14.512 1.00 0.00 H ATOM 1406 HG1 THR B 33 0.895 -0.040 13.057 1.00 0.00 H ATOM 1407 HG23 THR B 33 -2.565 -1.083 12.904 1.00 0.00 H ATOM 1408 HG21 THR B 33 -1.656 -0.348 11.560 1.00 0.00 H ATOM 1409 HG22 THR B 33 -0.909 -1.631 12.543 1.00 0.00 H ATOM 1410 H THR B 33 -1.511 1.958 11.494 1.00 0.00 H ATOM 1411 N VAL B 34 -0.535 3.384 14.346 1.00 22.11 N ATOM 1412 CA VAL B 34 -0.094 4.424 15.287 1.00 21.97 C ATOM 1413 C VAL B 34 -1.306 5.232 15.781 1.00 23.05 C ATOM 1414 O VAL B 34 -1.484 5.406 17.006 1.00 23.07 O ATOM 1415 CB VAL B 34 0.947 5.334 14.648 1.00 22.49 C ATOM 1416 CG1 VAL B 34 1.236 6.564 15.556 1.00 23.55 C ATOM 1417 CG2 VAL B 34 2.214 4.507 14.391 1.00 22.55 C ATOM 1418 HA VAL B 34 0.376 3.942 16.144 1.00 0.00 H ATOM 1419 HB VAL B 34 0.575 5.726 13.701 1.00 0.00 H ATOM 1420 HG11 VAL B 34 0.316 7.130 15.703 1.00 0.00 H ATOM 1421 HG12 VAL B 34 1.611 6.222 16.520 1.00 0.00 H ATOM 1422 HG13 VAL B 34 1.982 7.199 15.079 1.00 0.00 H ATOM 1423 HG21 VAL B 34 2.588 4.115 15.337 1.00 0.00 H ATOM 1424 HG22 VAL B 34 1.977 3.680 13.722 1.00 0.00 H ATOM 1425 HG23 VAL B 34 2.973 5.141 13.933 1.00 0.00 H ATOM 1426 H VAL B 34 -0.135 3.359 13.387 1.00 0.00 H ATOM 1427 N TRP B 35 -2.151 5.659 14.848 1.00 22.27 N ATOM 1428 CA TRP B 35 -3.359 6.409 15.181 1.00 22.21 C ATOM 1429 C TRP B 35 -4.290 5.585 16.099 1.00 21.39 C ATOM 1430 O TRP B 35 -4.796 6.121 17.097 1.00 21.92 O ATOM 1431 CB TRP B 35 -4.101 6.851 13.914 1.00 24.05 C ATOM 1432 CG TRP B 35 -5.349 7.660 14.200 1.00 25.12 C ATOM 1433 CD1 TRP B 35 -5.437 9.019 14.309 1.00 26.50 C ATOM 1434 CD2 TRP B 35 -6.677 7.150 14.367 1.00 27.67 C ATOM 1435 NE1 TRP B 35 -6.756 9.397 14.555 1.00 28.85 N ATOM 1436 CE2 TRP B 35 -7.531 8.266 14.609 1.00 27.22 C ATOM 1437 CE3 TRP B 35 -7.236 5.854 14.361 1.00 25.82 C ATOM 1438 CZ2 TRP B 35 -8.910 8.128 14.811 1.00 28.62 C ATOM 1439 CZ3 TRP B 35 -8.637 5.725 14.595 1.00 26.77 C ATOM 1440 CH2 TRP B 35 -9.440 6.859 14.807 1.00 26.99 C ATOM 1441 HA TRP B 35 -3.053 7.303 15.724 1.00 0.00 H ATOM 1442 HB2 TRP B 35 -3.425 7.458 13.312 1.00 0.00 H ATOM 1443 HB3 TRP B 35 -4.386 5.962 13.352 1.00 0.00 H ATOM 1444 HE1 TRP B 35 -7.096 10.372 14.677 1.00 0.00 H ATOM 1445 HD1 TRP B 35 -4.597 9.708 14.217 1.00 0.00 H ATOM 1446 HZ2 TRP B 35 -9.544 9.001 14.967 1.00 0.00 H ATOM 1447 HH2 TRP B 35 -10.510 6.729 14.972 1.00 0.00 H ATOM 1448 HZ3 TRP B 35 -9.091 4.734 14.610 1.00 0.00 H ATOM 1449 HE3 TRP B 35 -6.615 4.976 14.183 1.00 0.00 H ATOM 1450 H TRP B 35 -1.945 5.453 13.850 1.00 0.00 H ATOM 1451 N GLY B 36 -4.495 4.302 15.778 1.00 19.57 N ATOM 1452 CA GLY B 36 -5.385 3.426 16.572 1.00 20.57 C ATOM 1453 C GLY B 36 -4.873 3.239 17.997 1.00 19.77 C ATOM 1454 O GLY B 36 -5.652 3.286 18.979 1.00 20.28 O ATOM 1455 HA3 GLY B 36 -5.445 2.451 16.088 1.00 0.00 H ATOM 1456 HA2 GLY B 36 -6.378 3.873 16.610 1.00 0.00 H ATOM 1457 H GLY B 36 -4.014 3.908 14.944 1.00 0.00 H ATOM 1458 N ILE B 37 -3.559 3.059 18.123 1.00 20.96 N ATOM 1459 CA ILE B 37 -2.970 2.891 19.448 1.00 20.28 C ATOM 1460 C ILE B 37 -3.176 4.165 20.280 1.00 20.53 C ATOM 1461 O ILE B 37 -3.498 4.086 21.476 1.00 21.88 O ATOM 1462 CB ILE B 37 -1.445 2.493 19.349 1.00 19.48 C ATOM 1463 CG1 ILE B 37 -1.297 1.066 18.781 1.00 17.59 C ATOM 1464 CG2 ILE B 37 -0.772 2.559 20.725 1.00 19.52 C ATOM 1465 CD1 ILE B 37 0.134 0.699 18.361 1.00 19.51 C ATOM 1466 HA ILE B 37 -3.477 2.070 19.956 1.00 0.00 H ATOM 1467 HB ILE B 37 -0.959 3.204 18.681 1.00 0.00 H ATOM 1468 HG12 ILE B 37 -1.621 0.359 19.545 1.00 0.00 H ATOM 1469 HG13 ILE B 37 -1.943 0.977 17.908 1.00 0.00 H ATOM 1470 HD11 ILE B 37 0.472 1.388 17.587 1.00 0.00 H ATOM 1471 HD12 ILE B 37 0.794 0.769 19.225 1.00 0.00 H ATOM 1472 HD13 ILE B 37 0.148 -0.320 17.974 1.00 0.00 H ATOM 1473 HG21 ILE B 37 -0.845 3.574 21.116 1.00 0.00 H ATOM 1474 HG22 ILE B 37 -1.271 1.869 21.406 1.00 0.00 H ATOM 1475 HG23 ILE B 37 0.277 2.280 20.629 1.00 0.00 H ATOM 1476 H ILE B 37 -2.953 3.038 17.278 1.00 0.00 H ATOM 1477 N LYS B 38 -2.972 5.325 19.652 1.00 21.87 N ATOM 1478 CA LYS B 38 -3.170 6.639 20.293 1.00 22.99 C ATOM 1479 C LYS B 38 -4.605 6.752 20.801 1.00 22.77 C ATOM 1480 O LYS B 38 -4.843 7.185 21.942 1.00 24.04 O ATOM 1481 CB LYS B 38 -2.862 7.754 19.284 1.00 23.94 C ATOM 1482 CG LYS B 38 -2.766 9.165 19.825 1.00 28.30 C ATOM 1483 CD LYS B 38 -2.043 10.020 18.762 1.00 31.89 C ATOM 1484 CE LYS B 38 -2.188 11.524 18.988 1.00 38.08 C ATOM 1485 NZ LYS B 38 -1.409 12.041 20.155 1.00 41.56 N ATOM 1486 HA LYS B 38 -2.493 6.740 21.142 1.00 0.00 H ATOM 1487 HB2 LYS B 38 -1.908 7.517 18.813 1.00 0.00 H ATOM 1488 HB3 LYS B 38 -3.650 7.743 18.531 1.00 0.00 H ATOM 1489 HG2 LYS B 38 -3.764 9.563 20.007 1.00 0.00 H ATOM 1490 HG3 LYS B 38 -2.199 9.170 20.756 1.00 0.00 H ATOM 1491 HD2 LYS B 38 -0.982 9.769 18.780 1.00 0.00 H ATOM 1492 HD3 LYS B 38 -2.456 9.776 17.783 1.00 0.00 H ATOM 1493 HE2 LYS B 38 -3.242 11.746 19.154 1.00 0.00 H ATOM 1494 HE3 LYS B 38 -1.846 12.040 18.091 1.00 0.00 H ATOM 1495 HZ1 LYS B 38 -1.731 11.567 21.023 1.00 0.00 H ATOM 1496 HZ2 LYS B 38 -0.398 11.848 20.008 1.00 0.00 H ATOM 1497 HZ3 LYS B 38 -1.558 13.066 20.243 1.00 0.00 H ATOM 1498 H LYS B 38 -2.658 5.301 18.661 1.00 0.00 H ATOM 1499 N GLN B 39 -5.561 6.341 19.974 1.00 22.28 N ATOM 1500 CA GLN B 39 -6.979 6.424 20.349 1.00 21.85 C ATOM 1501 C GLN B 39 -7.315 5.490 21.501 1.00 21.94 C ATOM 1502 O GLN B 39 -8.127 5.843 22.388 1.00 21.89 O ATOM 1503 CB GLN B 39 -7.883 6.117 19.155 1.00 22.34 C ATOM 1504 CG GLN B 39 -7.527 6.835 17.849 1.00 21.85 C ATOM 1505 CD GLN B 39 -7.112 8.299 18.022 1.00 22.52 C ATOM 1506 OE1 GLN B 39 -6.103 8.751 17.436 1.00 26.13 O ATOM 1507 NE2 GLN B 39 -7.876 9.049 18.825 1.00 25.62 N ATOM 1508 HA GLN B 39 -7.159 7.448 20.676 1.00 0.00 H ATOM 1509 HB2 GLN B 39 -7.840 5.044 18.970 1.00 0.00 H ATOM 1510 HB3 GLN B 39 -8.901 6.398 19.425 1.00 0.00 H ATOM 1511 HG2 GLN B 39 -6.701 6.300 17.380 1.00 0.00 H ATOM 1512 HG3 GLN B 39 -8.398 6.803 17.194 1.00 0.00 H ATOM 1513 HE22 GLN B 39 -8.706 8.631 19.292 1.00 0.00 H ATOM 1514 HE21 GLN B 39 -7.640 10.050 18.982 1.00 0.00 H ATOM 1515 H GLN B 39 -5.300 5.954 19.045 1.00 0.00 H ATOM 1516 N LEU B 40 -6.717 4.298 21.493 1.00 21.12 N ATOM 1517 CA LEU B 40 -6.994 3.293 22.580 1.00 21.77 C ATOM 1518 C LEU B 40 -6.375 3.724 23.913 1.00 22.10 C ATOM 1519 O LEU B 40 -6.987 3.560 24.960 1.00 23.65 O ATOM 1520 CB LEU B 40 -6.543 1.887 22.192 1.00 21.86 C ATOM 1521 CG LEU B 40 -7.272 1.176 21.058 1.00 22.62 C ATOM 1522 CD1 LEU B 40 -6.702 -0.252 20.870 1.00 24.78 C ATOM 1523 CD2 LEU B 40 -8.802 1.168 21.216 1.00 24.30 C ATOM 1524 HA LEU B 40 -8.076 3.259 22.709 1.00 0.00 H ATOM 1525 HB2 LEU B 40 -5.493 1.953 21.908 1.00 0.00 H ATOM 1526 HB3 LEU B 40 -6.640 1.261 23.079 1.00 0.00 H ATOM 1527 HG LEU B 40 -7.086 1.752 20.151 1.00 0.00 H ATOM 1528 HD21 LEU B 40 -9.068 0.659 22.143 1.00 0.00 H ATOM 1529 HD22 LEU B 40 -9.168 2.194 21.245 1.00 0.00 H ATOM 1530 HD23 LEU B 40 -9.250 0.645 20.372 1.00 0.00 H ATOM 1531 HD11 LEU B 40 -5.641 -0.189 20.630 1.00 0.00 H ATOM 1532 HD12 LEU B 40 -6.834 -0.819 21.792 1.00 0.00 H ATOM 1533 HD13 LEU B 40 -7.231 -0.749 20.057 1.00 0.00 H ATOM 1534 H LEU B 40 -6.053 4.060 20.729 1.00 0.00 H ATOM 1535 N GLN B 41 -5.167 4.297 23.861 1.00 22.49 N ATOM 1536 CA GLN B 41 -4.535 4.808 25.083 1.00 22.83 C ATOM 1537 C GLN B 41 -5.442 5.856 25.757 1.00 23.90 C ATOM 1538 O GLN B 41 -5.719 5.755 26.967 1.00 24.28 O ATOM 1539 CB GLN B 41 -3.171 5.415 24.804 1.00 23.56 C ATOM 1540 CG GLN B 41 -2.389 5.739 26.079 1.00 23.40 C ATOM 1541 CD GLN B 41 -1.186 6.637 25.778 1.00 25.02 C ATOM 1542 OE1 GLN B 41 -1.053 7.132 24.674 1.00 25.37 O ATOM 1543 NE2 GLN B 41 -0.361 6.892 26.773 1.00 24.29 N ATOM 1544 HA GLN B 41 -4.395 3.960 25.754 1.00 0.00 H ATOM 1545 HB2 GLN B 41 -2.591 4.709 24.210 1.00 0.00 H ATOM 1546 HB3 GLN B 41 -3.309 6.336 24.238 1.00 0.00 H ATOM 1547 HG2 GLN B 41 -3.048 6.251 26.780 1.00 0.00 H ATOM 1548 HG3 GLN B 41 -2.036 4.810 26.526 1.00 0.00 H ATOM 1549 HE22 GLN B 41 -0.512 6.447 27.701 1.00 0.00 H ATOM 1550 HE21 GLN B 41 0.441 7.538 26.631 1.00 0.00 H ATOM 1551 H GLN B 41 -4.673 4.381 22.950 1.00 0.00 H ATOM 1552 N ALA B 42 -5.925 6.815 24.968 1.00 23.63 N ATOM 1553 CA ALA B 42 -6.823 7.867 25.449 1.00 25.69 C ATOM 1554 C ALA B 42 -8.162 7.304 25.909 1.00 26.61 C ATOM 1555 O ALA B 42 -8.633 7.640 27.016 1.00 27.38 O ATOM 1556 CB ALA B 42 -7.026 8.926 24.344 1.00 25.42 C ATOM 1557 HA ALA B 42 -6.359 8.337 26.316 1.00 0.00 H ATOM 1558 HB1 ALA B 42 -6.063 9.365 24.082 1.00 0.00 H ATOM 1559 HB2 ALA B 42 -7.463 8.453 23.465 1.00 0.00 H ATOM 1560 HB3 ALA B 42 -7.695 9.706 24.708 1.00 0.00 H ATOM 1561 H ALA B 42 -5.652 6.816 23.965 1.00 0.00 H ATOM 1562 N ARG B 43 -8.781 6.443 25.091 1.00 26.17 N ATOM 1563 CA ARG B 43 -10.185 6.050 25.326 1.00 27.77 C ATOM 1564 C ARG B 43 -10.303 4.970 26.402 1.00 26.94 C ATOM 1565 O ARG B 43 -11.297 4.944 27.164 1.00 26.89 O ATOM 1566 CB ARG B 43 -10.844 5.589 24.023 1.00 28.43 C ATOM 1567 CG ARG B 43 -11.393 6.700 23.109 1.00 33.61 C ATOM 1568 CD ARG B 43 -10.474 7.879 22.841 1.00 41.67 C ATOM 1569 NE ARG B 43 -11.233 9.131 22.704 1.00 48.11 N ATOM 1570 CZ ARG B 43 -11.981 9.467 21.652 1.00 50.62 C ATOM 1571 NH1 ARG B 43 -12.099 8.649 20.613 1.00 53.56 N ATOM 1572 NH2 ARG B 43 -12.628 10.628 21.644 1.00 52.36 N ATOM 1573 HA ARG B 43 -10.712 6.932 25.690 1.00 0.00 H ATOM 1574 HB2 ARG B 43 -10.102 5.027 23.455 1.00 0.00 H ATOM 1575 HB3 ARG B 43 -11.674 4.932 24.284 1.00 0.00 H ATOM 1576 HG2 ARG B 43 -11.638 6.247 22.148 1.00 0.00 H ATOM 1577 HG3 ARG B 43 -12.302 7.087 23.569 1.00 0.00 H ATOM 1578 HD2 ARG B 43 -9.922 7.696 21.919 1.00 0.00 H ATOM 1579 HD3 ARG B 43 -9.773 7.978 23.670 1.00 0.00 H ATOM 1580 HE ARG B 43 -11.183 9.809 23.491 1.00 0.00 H ATOM 1581 HH12 ARG B 43 -12.685 8.923 19.799 1.00 0.00 H ATOM 1582 HH11 ARG B 43 -11.605 7.734 20.613 1.00 0.00 H ATOM 1583 HH22 ARG B 43 -13.212 10.892 20.825 1.00 0.00 H ATOM 1584 HH21 ARG B 43 -12.550 11.272 22.457 1.00 0.00 H ATOM 1585 H ARG B 43 -8.266 6.046 24.279 1.00 0.00 H ATOM 1586 N ILE B 44 -9.305 4.092 26.489 1.00 26.02 N ATOM 1587 CA ILE B 44 -9.317 3.041 27.534 1.00 26.62 C ATOM 1588 C ILE B 44 -8.688 3.532 28.851 1.00 27.32 C ATOM 1589 O ILE B 44 -9.298 3.473 29.944 1.00 27.70 O ATOM 1590 CB ILE B 44 -8.614 1.744 27.060 1.00 26.39 C ATOM 1591 CG1 ILE B 44 -9.371 1.149 25.864 1.00 26.32 C ATOM 1592 CG2 ILE B 44 -8.506 0.740 28.230 1.00 26.80 C ATOM 1593 CD1 ILE B 44 -8.783 -0.163 25.268 1.00 25.23 C ATOM 1594 HA ILE B 44 -10.366 2.811 27.722 1.00 0.00 H ATOM 1595 HB ILE B 44 -7.601 1.975 26.732 1.00 0.00 H ATOM 1596 HG12 ILE B 44 -10.392 0.942 26.185 1.00 0.00 H ATOM 1597 HG13 ILE B 44 -9.386 1.898 25.072 1.00 0.00 H ATOM 1598 HD11 ILE B 44 -7.766 0.021 24.922 1.00 0.00 H ATOM 1599 HD12 ILE B 44 -8.773 -0.937 26.036 1.00 0.00 H ATOM 1600 HD13 ILE B 44 -9.400 -0.488 24.430 1.00 0.00 H ATOM 1601 HG21 ILE B 44 -7.927 1.187 29.038 1.00 0.00 H ATOM 1602 HG22 ILE B 44 -9.505 0.495 28.590 1.00 0.00 H ATOM 1603 HG23 ILE B 44 -8.010 -0.167 27.884 1.00 0.00 H ATOM 1604 H ILE B 44 -8.512 4.144 25.819 1.00 0.00 H ATOM 1605 N LEU B 45 -7.452 4.011 28.759 1.00 27.33 N ATOM 1606 CA LEU B 45 -6.723 4.368 29.958 1.00 28.25 C ATOM 1607 C LEU B 45 -6.960 5.814 30.366 1.00 29.16 C ATOM 1608 O LEU B 45 -7.517 6.637 29.626 1.00 29.39 O ATOM 1609 CB LEU B 45 -5.228 4.065 29.806 1.00 27.75 C ATOM 1610 CG LEU B 45 -4.866 2.592 29.549 1.00 28.25 C ATOM 1611 CD1 LEU B 45 -3.358 2.407 29.336 1.00 28.34 C ATOM 1612 CD2 LEU B 45 -5.404 1.625 30.641 1.00 31.70 C ATOM 1613 HA LEU B 45 -7.110 3.747 30.766 1.00 0.00 H ATOM 1614 HB2 LEU B 45 -4.851 4.653 28.970 1.00 0.00 H ATOM 1615 HB3 LEU B 45 -4.728 4.377 30.723 1.00 0.00 H ATOM 1616 HG LEU B 45 -5.374 2.320 28.624 1.00 0.00 H ATOM 1617 HD21 LEU B 45 -4.985 1.902 31.608 1.00 0.00 H ATOM 1618 HD22 LEU B 45 -6.491 1.694 30.682 1.00 0.00 H ATOM 1619 HD23 LEU B 45 -5.112 0.604 30.396 1.00 0.00 H ATOM 1620 HD11 LEU B 45 -3.039 2.994 28.475 1.00 0.00 H ATOM 1621 HD12 LEU B 45 -2.823 2.742 30.224 1.00 0.00 H ATOM 1622 HD13 LEU B 45 -3.144 1.353 29.158 1.00 0.00 H ATOM 1623 H LEU B 45 -7.008 4.129 27.826 1.00 0.00 H TER 1624 LEU B 45 HETATM 1625 CA ACE C 0 28.936 6.310 -21.548 1.00 32.52 C HETATM 1626 C ACE C 0 29.629 6.099 -22.854 1.00 33.70 C HETATM 1627 O ACE C 0 30.385 6.990 -23.280 1.00 34.41 O HETATM 1628 H3 ACE C 0 28.317 5.442 -21.322 1.00 0.00 H HETATM 1629 H2 ACE C 0 28.309 7.199 -21.611 1.00 0.00 H HETATM 1630 H1 ACE C 0 29.679 6.443 -20.761 1.00 0.00 H ATOM 1631 N ARG C 1 29.667 4.833 -23.269 1.00 32.25 N ATOM 1632 CA ARG C 1 28.612 3.845 -23.048 1.00 32.33 C ATOM 1633 C ARG C 1 28.816 3.086 -21.725 1.00 31.53 C ATOM 1634 O ARG C 1 27.842 2.834 -20.967 1.00 31.30 O ATOM 1635 CB ARG C 1 28.549 2.872 -24.214 1.00 32.65 C ATOM 1636 CG ARG C 1 27.189 2.271 -24.390 1.00 36.46 C ATOM 1637 CD ARG C 1 27.076 0.972 -23.693 1.00 39.45 C ATOM 1638 NE ARG C 1 25.705 0.768 -23.235 1.00 46.62 N ATOM 1639 CZ ARG C 1 24.810 -0.001 -23.848 1.00 47.90 C ATOM 1640 NH1 ARG C 1 25.133 -0.668 -24.967 1.00 46.04 N ATOM 1641 NH2 ARG C 1 23.590 -0.116 -23.315 1.00 50.04 N ATOM 1642 HA ARG C 1 27.664 4.379 -22.980 1.00 0.00 H ATOM 1643 HB2 ARG C 1 28.817 3.403 -25.127 1.00 0.00 H ATOM 1644 HB3 ARG C 1 29.265 2.070 -24.038 1.00 0.00 H ATOM 1645 HG2 ARG C 1 26.444 2.956 -23.986 1.00 0.00 H ATOM 1646 HG3 ARG C 1 27.003 2.120 -25.453 1.00 0.00 H ATOM 1647 HD2 ARG C 1 27.748 0.963 -22.835 1.00 0.00 H ATOM 1648 HD3 ARG C 1 27.351 0.170 -24.378 1.00 0.00 H ATOM 1649 HE ARG C 1 25.407 1.259 -22.368 1.00 0.00 H ATOM 1650 HH12 ARG C 1 24.425 -1.267 -25.438 1.00 0.00 H ATOM 1651 HH11 ARG C 1 26.091 -0.586 -25.363 1.00 0.00 H ATOM 1652 HH22 ARG C 1 22.874 -0.712 -23.778 1.00 0.00 H ATOM 1653 HH21 ARG C 1 23.356 0.391 -22.437 1.00 0.00 H ATOM 1654 H ARG C 1 30.512 4.524 -23.790 1.00 0.00 H ATOM 1655 N MET C 2 30.070 2.768 -21.420 1.00 30.31 N ATOM 1656 CA MET C 2 30.399 2.128 -20.146 1.00 30.76 C ATOM 1657 C MET C 2 29.988 3.035 -18.985 1.00 30.77 C ATOM 1658 O MET C 2 29.399 2.555 -18.007 1.00 30.49 O ATOM 1659 CB MET C 2 31.875 1.739 -20.052 1.00 30.50 C ATOM 1660 CG MET C 2 32.305 0.695 -21.081 1.00 32.91 C ATOM 1661 SD MET C 2 31.309 -0.819 -21.095 1.00 40.41 S ATOM 1662 CE MET C 2 32.003 -1.693 -19.717 1.00 40.82 C ATOM 1663 HA MET C 2 29.834 1.198 -20.086 1.00 0.00 H ATOM 1664 HB2 MET C 2 32.477 2.636 -20.200 1.00 0.00 H ATOM 1665 HB3 MET C 2 32.062 1.337 -19.056 1.00 0.00 H ATOM 1666 HG2 MET C 2 33.338 0.419 -20.872 1.00 0.00 H ATOM 1667 HG3 MET C 2 32.245 1.149 -22.070 1.00 0.00 H ATOM 1668 HE1 MET C 2 33.064 -1.868 -19.896 1.00 0.00 H ATOM 1669 HE2 MET C 2 31.879 -1.099 -18.812 1.00 0.00 H ATOM 1670 HE3 MET C 2 31.491 -2.648 -19.599 1.00 0.00 H ATOM 1671 H MET C 2 30.830 2.978 -22.098 1.00 0.00 H ATOM 1672 N LYS C 3 30.268 4.335 -19.101 1.00 30.69 N ATOM 1673 CA LYS C 3 29.831 5.297 -18.057 1.00 30.81 C ATOM 1674 C LYS C 3 28.309 5.363 -17.913 1.00 30.84 C ATOM 1675 O LYS C 3 27.819 5.473 -16.789 1.00 29.49 O ATOM 1676 CB LYS C 3 30.376 6.703 -18.313 1.00 30.83 C ATOM 1677 CG LYS C 3 29.903 7.754 -17.302 1.00 32.74 C ATOM 1678 CD LYS C 3 30.392 9.155 -17.670 1.00 33.04 C ATOM 1679 CE LYS C 3 29.577 10.213 -16.948 1.00 35.49 C ATOM 1680 NZ LYS C 3 29.677 10.062 -15.477 1.00 37.66 N ATOM 1681 HA LYS C 3 30.245 4.918 -17.123 1.00 0.00 H ATOM 1682 HB2 LYS C 3 31.465 6.660 -18.278 1.00 0.00 H ATOM 1683 HB3 LYS C 3 30.058 7.017 -19.307 1.00 0.00 H ATOM 1684 HG2 LYS C 3 28.813 7.755 -17.277 1.00 0.00 H ATOM 1685 HG3 LYS C 3 30.287 7.493 -16.316 1.00 0.00 H ATOM 1686 HD2 LYS C 3 31.440 9.255 -17.387 1.00 0.00 H ATOM 1687 HD3 LYS C 3 30.292 9.298 -18.746 1.00 0.00 H ATOM 1688 HE2 LYS C 3 28.532 10.120 -17.244 1.00 0.00 H ATOM 1689 HE3 LYS C 3 29.946 11.199 -17.230 1.00 0.00 H ATOM 1690 HZ1 LYS C 3 29.321 9.125 -15.201 1.00 0.00 H ATOM 1691 HZ2 LYS C 3 30.671 10.156 -15.187 1.00 0.00 H ATOM 1692 HZ3 LYS C 3 29.109 10.800 -15.015 1.00 0.00 H ATOM 1693 H LYS C 3 30.796 4.677 -19.929 1.00 0.00 H ATOM 1694 N GLN C 4 27.572 5.311 -19.024 1.00 30.47 N ATOM 1695 CA GLN C 4 26.100 5.348 -18.951 1.00 32.40 C ATOM 1696 C GLN C 4 25.575 4.186 -18.100 1.00 31.28 C ATOM 1697 O GLN C 4 24.658 4.364 -17.258 1.00 30.79 O ATOM 1698 CB GLN C 4 25.451 5.337 -20.345 1.00 31.65 C ATOM 1699 CG GLN C 4 25.522 6.676 -21.111 1.00 35.78 C ATOM 1700 CD GLN C 4 24.877 6.591 -22.491 1.00 35.94 C ATOM 1701 OE1 GLN C 4 24.775 5.513 -23.078 1.00 40.94 O ATOM 1702 NE2 GLN C 4 24.432 7.735 -23.011 1.00 41.56 N ATOM 1703 HA GLN C 4 25.822 6.288 -18.474 1.00 0.00 H ATOM 1704 HB2 GLN C 4 25.952 4.577 -20.945 1.00 0.00 H ATOM 1705 HB3 GLN C 4 24.401 5.071 -20.227 1.00 0.00 H ATOM 1706 HG2 GLN C 4 25.006 7.440 -20.530 1.00 0.00 H ATOM 1707 HG3 GLN C 4 26.569 6.957 -21.230 1.00 0.00 H ATOM 1708 HE22 GLN C 4 24.539 8.623 -22.481 1.00 0.00 H ATOM 1709 HE21 GLN C 4 23.978 7.739 -23.947 1.00 0.00 H ATOM 1710 H GLN C 4 28.040 5.244 -19.950 1.00 0.00 H ATOM 1711 N ILE C 5 26.152 3.006 -18.294 1.00 30.93 N ATOM 1712 CA ILE C 5 25.745 1.828 -17.515 1.00 30.92 C ATOM 1713 C ILE C 5 26.159 1.988 -16.044 1.00 31.03 C ATOM 1714 O ILE C 5 25.348 1.776 -15.117 1.00 32.06 O ATOM 1715 CB ILE C 5 26.313 0.517 -18.096 1.00 30.99 C ATOM 1716 CG1 ILE C 5 25.753 0.261 -19.496 1.00 29.77 C ATOM 1717 CG2 ILE C 5 25.998 -0.655 -17.160 1.00 30.56 C ATOM 1718 CD1 ILE C 5 26.520 -0.791 -20.289 1.00 34.23 C ATOM 1719 HA ILE C 5 24.659 1.762 -17.575 1.00 0.00 H ATOM 1720 HB ILE C 5 27.396 0.612 -18.179 1.00 0.00 H ATOM 1721 HG12 ILE C 5 24.719 -0.071 -19.396 1.00 0.00 H ATOM 1722 HG13 ILE C 5 25.781 1.198 -20.053 1.00 0.00 H ATOM 1723 HD11 ILE C 5 27.555 -0.470 -20.410 1.00 0.00 H ATOM 1724 HD12 ILE C 5 26.493 -1.740 -19.753 1.00 0.00 H ATOM 1725 HD13 ILE C 5 26.059 -0.913 -21.269 1.00 0.00 H ATOM 1726 HG21 ILE C 5 26.449 -0.471 -16.185 1.00 0.00 H ATOM 1727 HG22 ILE C 5 24.918 -0.750 -17.050 1.00 0.00 H ATOM 1728 HG23 ILE C 5 26.404 -1.574 -17.582 1.00 0.00 H ATOM 1729 H ILE C 5 26.903 2.914 -19.008 1.00 0.00 H ATOM 1730 N GLU C 6 27.411 2.380 -15.831 1.00 30.67 N ATOM 1731 CA GLU C 6 27.952 2.700 -14.499 1.00 31.07 C ATOM 1732 C GLU C 6 27.143 3.747 -13.713 1.00 31.74 C ATOM 1733 O GLU C 6 26.901 3.565 -12.504 1.00 31.26 O ATOM 1734 CB GLU C 6 29.419 3.125 -14.625 1.00 30.57 C ATOM 1735 CG GLU C 6 30.303 1.938 -14.924 1.00 32.92 C ATOM 1736 CD GLU C 6 31.611 2.335 -15.630 1.00 31.20 C ATOM 1737 OE1 GLU C 6 31.832 3.559 -15.803 1.00 32.26 O ATOM 1738 OE2 GLU C 6 32.415 1.434 -16.008 1.00 41.06 O ATOM 1739 HA GLU C 6 27.873 1.785 -13.911 1.00 0.00 H ATOM 1740 HB2 GLU C 6 29.512 3.851 -15.433 1.00 0.00 H ATOM 1741 HB3 GLU C 6 29.740 3.582 -13.689 1.00 0.00 H ATOM 1742 HG2 GLU C 6 30.550 1.441 -13.986 1.00 0.00 H ATOM 1743 HG3 GLU C 6 29.755 1.248 -15.566 1.00 0.00 H ATOM 1744 H GLU C 6 28.045 2.466 -16.651 1.00 0.00 H ATOM 1745 N ASP C 7 26.709 4.808 -14.396 1.00 31.50 N ATOM 1746 CA ASP C 7 25.832 5.827 -13.787 1.00 32.27 C ATOM 1747 C ASP C 7 24.487 5.226 -13.371 1.00 32.28 C ATOM 1748 O ASP C 7 23.944 5.577 -12.306 1.00 31.60 O ATOM 1749 CB ASP C 7 25.578 6.996 -14.755 1.00 32.65 C ATOM 1750 CG ASP C 7 26.814 7.865 -14.996 1.00 34.86 C ATOM 1751 OD1 ASP C 7 26.743 8.725 -15.904 1.00 37.14 O ATOM 1752 OD2 ASP C 7 27.844 7.714 -14.300 1.00 36.34 O ATOM 1753 HA ASP C 7 26.349 6.199 -12.902 1.00 0.00 H ATOM 1754 HB2 ASP C 7 25.250 6.588 -15.711 1.00 0.00 H ATOM 1755 HB3 ASP C 7 24.790 7.624 -14.340 1.00 0.00 H ATOM 1756 H ASP C 7 26.998 4.920 -15.389 1.00 0.00 H ATOM 1757 N LYS C 8 23.944 4.344 -14.212 1.00 31.81 N ATOM 1758 CA LYS C 8 22.673 3.670 -13.934 1.00 33.70 C ATOM 1759 C LYS C 8 22.809 2.833 -12.663 1.00 33.10 C ATOM 1760 O LYS C 8 21.977 2.923 -11.731 1.00 33.08 O ATOM 1761 CB LYS C 8 22.292 2.795 -15.124 1.00 34.15 C ATOM 1762 CG LYS C 8 21.186 1.791 -14.856 1.00 37.34 C ATOM 1763 CD LYS C 8 19.861 2.285 -15.402 1.00 42.62 C ATOM 1764 CE LYS C 8 19.481 3.635 -14.825 1.00 43.08 C ATOM 1765 NZ LYS C 8 19.169 4.561 -15.951 1.00 45.61 N ATOM 1766 HA LYS C 8 21.885 4.407 -13.780 1.00 0.00 H ATOM 1767 HB2 LYS C 8 21.967 3.448 -15.934 1.00 0.00 H ATOM 1768 HB3 LYS C 8 23.179 2.245 -15.437 1.00 0.00 H ATOM 1769 HG2 LYS C 8 21.439 0.845 -15.335 1.00 0.00 H ATOM 1770 HG3 LYS C 8 21.095 1.639 -13.780 1.00 0.00 H ATOM 1771 HD2 LYS C 8 19.937 2.373 -16.486 1.00 0.00 H ATOM 1772 HD3 LYS C 8 19.084 1.563 -15.151 1.00 0.00 H ATOM 1773 HE2 LYS C 8 20.311 4.032 -14.241 1.00 0.00 H ATOM 1774 HE3 LYS C 8 18.606 3.528 -14.184 1.00 0.00 H ATOM 1775 HZ1 LYS C 8 20.006 4.658 -16.560 1.00 0.00 H ATOM 1776 HZ2 LYS C 8 18.378 4.176 -16.506 1.00 0.00 H ATOM 1777 HZ3 LYS C 8 18.906 5.492 -15.570 1.00 0.00 H ATOM 1778 H LYS C 8 24.442 4.127 -15.099 1.00 0.00 H ATOM 1779 N ILE C 9 23.886 2.051 -12.617 1.00 32.03 N ATOM 1780 CA ILE C 9 24.200 1.221 -11.464 1.00 32.89 C ATOM 1781 C ILE C 9 24.338 2.052 -10.182 1.00 32.87 C ATOM 1782 O ILE C 9 23.769 1.695 -9.129 1.00 32.29 O ATOM 1783 CB ILE C 9 25.441 0.374 -11.741 1.00 32.63 C ATOM 1784 CG1 ILE C 9 25.083 -0.700 -12.765 1.00 33.47 C ATOM 1785 CG2 ILE C 9 26.006 -0.244 -10.466 1.00 32.13 C ATOM 1786 CD1 ILE C 9 26.174 -1.650 -13.013 1.00 36.49 C ATOM 1787 HA ILE C 9 23.364 0.542 -11.296 1.00 0.00 H ATOM 1788 HB ILE C 9 26.225 1.016 -12.142 1.00 0.00 H ATOM 1789 HG12 ILE C 9 24.218 -1.253 -12.399 1.00 0.00 H ATOM 1790 HG13 ILE C 9 24.829 -0.211 -13.705 1.00 0.00 H ATOM 1791 HD11 ILE C 9 27.044 -1.112 -13.390 1.00 0.00 H ATOM 1792 HD12 ILE C 9 26.433 -2.155 -12.082 1.00 0.00 H ATOM 1793 HD13 ILE C 9 25.853 -2.386 -13.750 1.00 0.00 H ATOM 1794 HG21 ILE C 9 26.282 0.549 -9.771 1.00 0.00 H ATOM 1795 HG22 ILE C 9 25.251 -0.884 -10.008 1.00 0.00 H ATOM 1796 HG23 ILE C 9 26.887 -0.837 -10.711 1.00 0.00 H ATOM 1797 H ILE C 9 24.527 2.033 -13.436 1.00 0.00 H ATOM 1798 N GLU C 10 25.065 3.166 -10.278 1.00 33.71 N ATOM 1799 CA GLU C 10 25.148 4.137 -9.175 1.00 35.33 C ATOM 1800 C GLU C 10 23.778 4.616 -8.703 1.00 35.05 C ATOM 1801 O GLU C 10 23.530 4.655 -7.495 1.00 33.72 O ATOM 1802 CB GLU C 10 26.001 5.341 -9.573 1.00 36.00 C ATOM 1803 CG GLU C 10 27.490 5.106 -9.394 1.00 41.66 C ATOM 1804 CD GLU C 10 27.963 5.481 -7.991 1.00 48.14 C ATOM 1805 OE1 GLU C 10 27.644 4.728 -7.032 1.00 50.17 O ATOM 1806 OE2 GLU C 10 28.655 6.527 -7.853 1.00 50.31 O ATOM 1807 HA GLU C 10 25.618 3.612 -8.343 1.00 0.00 H ATOM 1808 HB2 GLU C 10 25.810 5.570 -10.621 1.00 0.00 H ATOM 1809 HB3 GLU C 10 25.708 6.192 -8.958 1.00 0.00 H ATOM 1810 HG2 GLU C 10 27.704 4.051 -9.568 1.00 0.00 H ATOM 1811 HG3 GLU C 10 28.032 5.710 -10.122 1.00 0.00 H ATOM 1812 H GLU C 10 25.588 3.354 -11.157 1.00 0.00 H ATOM 1813 N GLU C 11 22.911 4.993 -9.648 1.00 34.98 N ATOM 1814 CA GLU C 11 21.535 5.435 -9.328 1.00 35.92 C ATOM 1815 C GLU C 11 20.744 4.358 -8.590 1.00 34.31 C ATOM 1816 O GLU C 11 20.048 4.652 -7.621 1.00 34.25 O ATOM 1817 CB GLU C 11 20.754 5.776 -10.593 1.00 36.34 C ATOM 1818 CG GLU C 11 21.279 6.937 -11.407 1.00 40.47 C ATOM 1819 CD GLU C 11 20.404 7.223 -12.620 1.00 40.25 C ATOM 1820 OE1 GLU C 11 20.748 8.158 -13.371 1.00 46.85 O ATOM 1821 OE2 GLU C 11 19.373 6.522 -12.810 1.00 45.46 O ATOM 1822 HA GLU C 11 21.648 6.315 -8.695 1.00 0.00 H ATOM 1823 HB2 GLU C 11 20.754 4.893 -11.233 1.00 0.00 H ATOM 1824 HB3 GLU C 11 19.731 6.010 -10.300 1.00 0.00 H ATOM 1825 HG2 GLU C 11 21.308 7.825 -10.776 1.00 0.00 H ATOM 1826 HG3 GLU C 11 22.287 6.701 -11.747 1.00 0.00 H ATOM 1827 H GLU C 11 23.214 4.975 -10.643 1.00 0.00 H ATOM 1828 N ILE C 12 20.833 3.125 -9.080 1.00 32.72 N ATOM 1829 CA ILE C 12 20.161 1.986 -8.467 1.00 32.25 C ATOM 1830 C ILE C 12 20.690 1.765 -7.044 1.00 32.19 C ATOM 1831 O ILE C 12 19.894 1.632 -6.084 1.00 31.98 O ATOM 1832 CB ILE C 12 20.306 0.703 -9.323 1.00 31.43 C ATOM 1833 CG1 ILE C 12 19.446 0.802 -10.585 1.00 31.23 C ATOM 1834 CG2 ILE C 12 19.939 -0.540 -8.498 1.00 31.86 C ATOM 1835 CD1 ILE C 12 19.705 -0.309 -11.624 1.00 32.23 C ATOM 1836 HA ILE C 12 19.096 2.212 -8.413 1.00 0.00 H ATOM 1837 HB ILE C 12 21.347 0.605 -9.631 1.00 0.00 H ATOM 1838 HG12 ILE C 12 18.398 0.754 -10.288 1.00 0.00 H ATOM 1839 HG13 ILE C 12 19.644 1.764 -11.058 1.00 0.00 H ATOM 1840 HD11 ILE C 12 20.746 -0.269 -11.945 1.00 0.00 H ATOM 1841 HD12 ILE C 12 19.499 -1.280 -11.174 1.00 0.00 H ATOM 1842 HD13 ILE C 12 19.052 -0.160 -12.484 1.00 0.00 H ATOM 1843 HG21 ILE C 12 20.603 -0.612 -7.637 1.00 0.00 H ATOM 1844 HG22 ILE C 12 18.907 -0.456 -8.157 1.00 0.00 H ATOM 1845 HG23 ILE C 12 20.047 -1.430 -9.117 1.00 0.00 H ATOM 1846 H ILE C 12 21.405 2.967 -9.934 1.00 0.00 H ATOM 1847 N GLU C 13 22.018 1.744 -6.904 1.00 32.04 N ATOM 1848 CA GLU C 13 22.651 1.541 -5.587 1.00 33.14 C ATOM 1849 C GLU C 13 22.220 2.606 -4.585 1.00 32.72 C ATOM 1850 O GLU C 13 21.930 2.284 -3.418 1.00 32.15 O ATOM 1851 CB GLU C 13 24.179 1.552 -5.700 1.00 33.27 C ATOM 1852 CG GLU C 13 24.781 0.269 -6.239 1.00 34.72 C ATOM 1853 CD GLU C 13 26.290 0.406 -6.548 1.00 36.10 C ATOM 1854 OE1 GLU C 13 26.809 1.543 -6.665 1.00 40.58 O ATOM 1855 OE2 GLU C 13 26.971 -0.630 -6.676 1.00 42.06 O ATOM 1856 HA GLU C 13 22.321 0.566 -5.229 1.00 0.00 H ATOM 1857 HB2 GLU C 13 24.465 2.368 -6.364 1.00 0.00 H ATOM 1858 HB3 GLU C 13 24.592 1.731 -4.707 1.00 0.00 H ATOM 1859 HG2 GLU C 13 24.646 -0.519 -5.498 1.00 0.00 H ATOM 1860 HG3 GLU C 13 24.259 -0.004 -7.157 1.00 0.00 H ATOM 1861 H GLU C 13 22.620 1.874 -7.742 1.00 0.00 H ATOM 1862 N SER C 14 22.167 3.853 -5.052 1.00 31.80 N ATOM 1863 CA SER C 14 21.740 4.996 -4.238 1.00 33.04 C ATOM 1864 C SER C 14 20.280 4.820 -3.787 1.00 32.89 C ATOM 1865 O SER C 14 19.923 5.078 -2.596 1.00 31.99 O ATOM 1866 CB SER C 14 21.933 6.302 -5.031 1.00 33.87 C ATOM 1867 OG SER C 14 21.608 7.434 -4.233 1.00 37.45 O ATOM 1868 HA SER C 14 22.356 5.049 -3.340 1.00 0.00 H ATOM 1869 HB2 SER C 14 21.286 6.286 -5.908 1.00 0.00 H ATOM 1870 HB3 SER C 14 22.973 6.376 -5.349 1.00 0.00 H ATOM 1871 HG SER C 14 22.196 7.455 -3.437 1.00 0.00 H ATOM 1872 H SER C 14 22.441 4.024 -6.040 1.00 0.00 H ATOM 1873 N LYS C 15 19.444 4.352 -4.712 1.00 32.00 N ATOM 1874 CA LYS C 15 18.028 4.146 -4.422 1.00 33.48 C ATOM 1875 C LYS C 15 17.857 3.002 -3.416 1.00 32.49 C ATOM 1876 O LYS C 15 17.005 3.054 -2.495 1.00 31.20 O ATOM 1877 CB LYS C 15 17.260 3.842 -5.701 1.00 34.15 C ATOM 1878 CG LYS C 15 16.086 4.790 -5.982 1.00 37.76 C ATOM 1879 CD LYS C 15 15.126 4.925 -4.813 1.00 40.39 C ATOM 1880 CE LYS C 15 13.926 5.828 -5.153 1.00 40.34 C ATOM 1881 NZ LYS C 15 12.914 5.895 -4.027 1.00 43.77 N ATOM 1882 HA LYS C 15 17.626 5.061 -3.987 1.00 0.00 H ATOM 1883 HB2 LYS C 15 17.955 3.904 -6.538 1.00 0.00 H ATOM 1884 HB3 LYS C 15 16.868 2.827 -5.630 1.00 0.00 H ATOM 1885 HG2 LYS C 15 16.487 5.776 -6.216 1.00 0.00 H ATOM 1886 HG3 LYS C 15 15.533 4.410 -6.841 1.00 0.00 H ATOM 1887 HD2 LYS C 15 14.757 3.935 -4.544 1.00 0.00 H ATOM 1888 HD3 LYS C 15 15.661 5.354 -3.966 1.00 0.00 H ATOM 1889 HE2 LYS C 15 13.434 5.436 -6.043 1.00 0.00 H ATOM 1890 HE3 LYS C 15 14.292 6.835 -5.355 1.00 0.00 H ATOM 1891 HZ1 LYS C 15 12.552 4.940 -3.831 1.00 0.00 H ATOM 1892 HZ2 LYS C 15 13.371 6.276 -3.174 1.00 0.00 H ATOM 1893 HZ3 LYS C 15 12.127 6.515 -4.306 1.00 0.00 H ATOM 1894 H LYS C 15 19.807 4.129 -5.661 1.00 0.00 H ATOM 1895 N GLN C 16 18.682 1.974 -3.586 1.00 31.39 N ATOM 1896 CA GLN C 16 18.685 0.836 -2.682 1.00 31.85 C ATOM 1897 C GLN C 16 19.084 1.213 -1.255 1.00 31.19 C ATOM 1898 O GLN C 16 18.512 0.683 -0.295 1.00 31.11 O ATOM 1899 CB GLN C 16 19.594 -0.259 -3.212 1.00 32.14 C ATOM 1900 CG GLN C 16 19.348 -1.593 -2.577 1.00 35.68 C ATOM 1901 CD GLN C 16 19.945 -2.723 -3.373 1.00 37.07 C ATOM 1902 OE1 GLN C 16 19.221 -3.520 -3.975 1.00 39.24 O ATOM 1903 NE2 GLN C 16 21.272 -2.789 -3.403 1.00 38.87 N ATOM 1904 HA GLN C 16 17.660 0.467 -2.637 1.00 0.00 H ATOM 1905 HB2 GLN C 16 19.434 -0.352 -4.286 1.00 0.00 H ATOM 1906 HB3 GLN C 16 20.628 0.029 -3.024 1.00 0.00 H ATOM 1907 HG2 GLN C 16 19.790 -1.594 -1.580 1.00 0.00 H ATOM 1908 HG3 GLN C 16 18.272 -1.750 -2.497 1.00 0.00 H ATOM 1909 HE22 GLN C 16 21.839 -2.093 -2.878 1.00 0.00 H ATOM 1910 HE21 GLN C 16 21.743 -3.537 -3.951 1.00 0.00 H ATOM 1911 H GLN C 16 19.344 1.984 -4.388 1.00 0.00 H ATOM 1912 N LYS C 17 20.071 2.098 -1.117 1.00 30.75 N ATOM 1913 CA LYS C 17 20.462 2.617 0.196 1.00 30.81 C ATOM 1914 C LYS C 17 19.319 3.380 0.849 1.00 30.66 C ATOM 1915 O LYS C 17 19.083 3.211 2.047 1.00 29.68 O ATOM 1916 CB LYS C 17 21.696 3.500 0.106 1.00 31.93 C ATOM 1917 CG LYS C 17 22.946 2.693 -0.047 1.00 34.66 C ATOM 1918 CD LYS C 17 24.176 3.572 0.045 1.00 38.58 C ATOM 1919 CE LYS C 17 25.410 2.699 0.083 1.00 41.77 C ATOM 1920 NZ LYS C 17 25.274 1.602 -0.911 1.00 43.90 N ATOM 1921 HA LYS C 17 20.706 1.756 0.818 1.00 0.00 H ATOM 1922 HB2 LYS C 17 21.595 4.161 -0.754 1.00 0.00 H ATOM 1923 HB3 LYS C 17 21.770 4.097 1.015 1.00 0.00 H ATOM 1924 HG2 LYS C 17 22.984 1.942 0.742 1.00 0.00 H ATOM 1925 HG3 LYS C 17 22.934 2.197 -1.018 1.00 0.00 H ATOM 1926 HD2 LYS C 17 24.221 4.229 -0.824 1.00 0.00 H ATOM 1927 HD3 LYS C 17 24.127 4.174 0.952 1.00 0.00 H ATOM 1928 HE2 LYS C 17 25.524 2.274 1.080 1.00 0.00 H ATOM 1929 HE3 LYS C 17 26.287 3.300 -0.157 1.00 0.00 H ATOM 1930 HZ1 LYS C 17 24.437 1.029 -0.681 1.00 0.00 H ATOM 1931 HZ2 LYS C 17 25.166 2.009 -1.862 1.00 0.00 H ATOM 1932 HZ3 LYS C 17 26.124 1.003 -0.883 1.00 0.00 H ATOM 1933 H LYS C 17 20.577 2.429 -1.963 1.00 0.00 H ATOM 1934 N LYS C 18 18.619 4.205 0.066 1.00 29.60 N ATOM 1935 CA LYS C 18 17.495 4.967 0.611 1.00 30.93 C ATOM 1936 C LYS C 18 16.425 3.997 1.081 1.00 29.17 C ATOM 1937 O LYS C 18 15.877 4.178 2.164 1.00 28.79 O ATOM 1938 CB LYS C 18 16.937 5.984 -0.396 1.00 31.11 C ATOM 1939 CG LYS C 18 17.988 7.047 -0.792 1.00 34.16 C ATOM 1940 CD LYS C 18 17.412 8.157 -1.673 1.00 34.63 C ATOM 1941 CE LYS C 18 18.390 9.326 -1.781 1.00 39.43 C ATOM 1942 NZ LYS C 18 19.634 8.986 -2.573 1.00 42.47 N ATOM 1943 HA LYS C 18 17.848 5.554 1.459 1.00 0.00 H ATOM 1944 HB2 LYS C 18 16.619 5.453 -1.293 1.00 0.00 H ATOM 1945 HB3 LYS C 18 16.079 6.487 0.050 1.00 0.00 H ATOM 1946 HG2 LYS C 18 18.387 7.497 0.117 1.00 0.00 H ATOM 1947 HG3 LYS C 18 18.793 6.554 -1.336 1.00 0.00 H ATOM 1948 HD2 LYS C 18 17.219 7.759 -2.669 1.00 0.00 H ATOM 1949 HD3 LYS C 18 16.478 8.511 -1.237 1.00 0.00 H ATOM 1950 HE2 LYS C 18 18.689 9.623 -0.776 1.00 0.00 H ATOM 1951 HE3 LYS C 18 17.884 10.159 -2.270 1.00 0.00 H ATOM 1952 HZ1 LYS C 18 20.132 8.198 -2.112 1.00 0.00 H ATOM 1953 HZ2 LYS C 18 19.364 8.709 -3.538 1.00 0.00 H ATOM 1954 HZ3 LYS C 18 20.257 9.818 -2.611 1.00 0.00 H ATOM 1955 H LYS C 18 18.874 4.306 -0.937 1.00 0.00 H ATOM 1956 N ILE C 19 16.148 2.971 0.278 1.00 27.12 N ATOM 1957 CA ILE C 19 15.193 1.906 0.643 1.00 27.59 C ATOM 1958 C ILE C 19 15.589 1.168 1.937 1.00 26.74 C ATOM 1959 O ILE C 19 14.731 0.897 2.811 1.00 25.92 O ATOM 1960 CB ILE C 19 15.027 0.899 -0.516 1.00 27.04 C ATOM 1961 CG1 ILE C 19 14.256 1.548 -1.676 1.00 27.38 C ATOM 1962 CG2 ILE C 19 14.408 -0.426 -0.042 1.00 28.46 C ATOM 1963 CD1 ILE C 19 14.313 0.752 -2.997 1.00 28.46 C ATOM 1964 HA ILE C 19 14.238 2.397 0.833 1.00 0.00 H ATOM 1965 HB ILE C 19 16.015 0.635 -0.893 1.00 0.00 H ATOM 1966 HG12 ILE C 19 13.211 1.646 -1.380 1.00 0.00 H ATOM 1967 HG13 ILE C 19 14.676 2.538 -1.855 1.00 0.00 H ATOM 1968 HD11 ILE C 19 15.351 0.655 -3.317 1.00 0.00 H ATOM 1969 HD12 ILE C 19 13.885 -0.238 -2.842 1.00 0.00 H ATOM 1970 HD13 ILE C 19 13.744 1.279 -3.762 1.00 0.00 H ATOM 1971 HG21 ILE C 19 15.052 -0.877 0.713 1.00 0.00 H ATOM 1972 HG22 ILE C 19 13.424 -0.233 0.386 1.00 0.00 H ATOM 1973 HG23 ILE C 19 14.310 -1.104 -0.890 1.00 0.00 H ATOM 1974 H ILE C 19 16.625 2.918 -0.645 1.00 0.00 H ATOM 1975 N GLU C 20 16.874 0.825 2.051 1.00 26.45 N ATOM 1976 CA GLU C 20 17.384 0.190 3.277 1.00 27.38 C ATOM 1977 C GLU C 20 17.188 1.110 4.498 1.00 26.73 C ATOM 1978 O GLU C 20 16.781 0.646 5.579 1.00 27.52 O ATOM 1979 CB GLU C 20 18.840 -0.258 3.105 1.00 26.46 C ATOM 1980 CG GLU C 20 18.982 -1.383 2.044 1.00 27.40 C ATOM 1981 CD GLU C 20 20.440 -1.628 1.543 1.00 31.90 C ATOM 1982 OE1 GLU C 20 20.722 -2.757 1.078 1.00 37.45 O ATOM 1983 OE2 GLU C 20 21.303 -0.716 1.592 1.00 37.35 O ATOM 1984 HA GLU C 20 16.801 -0.712 3.464 1.00 0.00 H ATOM 1985 HB2 GLU C 20 19.437 0.598 2.792 1.00 0.00 H ATOM 1986 HB3 GLU C 20 19.210 -0.627 4.061 1.00 0.00 H ATOM 1987 HG2 GLU C 20 18.613 -2.311 2.481 1.00 0.00 H ATOM 1988 HG3 GLU C 20 18.367 -1.118 1.184 1.00 0.00 H ATOM 1989 H GLU C 20 17.525 1.009 1.261 1.00 0.00 H ATOM 1990 N ASN C 21 17.423 2.408 4.306 1.00 26.13 N ATOM 1991 CA ASN C 21 17.224 3.409 5.372 1.00 27.58 C ATOM 1992 C ASN C 21 15.750 3.454 5.777 1.00 26.86 C ATOM 1993 O ASN C 21 15.437 3.433 6.975 1.00 28.00 O ATOM 1994 CB ASN C 21 17.707 4.807 4.947 1.00 28.20 C ATOM 1995 CG ASN C 21 19.248 4.946 4.969 1.00 34.23 C ATOM 1996 OD1 ASN C 21 19.943 4.158 5.603 1.00 40.55 O ATOM 1997 ND2 ASN C 21 19.782 5.961 4.260 1.00 38.16 N ATOM 1998 HA ASN C 21 17.826 3.106 6.229 1.00 0.00 H ATOM 1999 HB2 ASN C 21 17.354 5.004 3.935 1.00 0.00 H ATOM 2000 HB3 ASN C 21 17.282 5.544 5.628 1.00 0.00 H ATOM 2001 HD22 ASN C 21 19.163 6.610 3.734 1.00 0.00 H ATOM 2002 HD21 ASN C 21 20.813 6.095 4.239 1.00 0.00 H ATOM 2003 H ASN C 21 17.758 2.726 3.374 1.00 0.00 H ATOM 2004 N GLU C 22 14.864 3.479 4.782 1.00 26.60 N ATOM 2005 CA GLU C 22 13.405 3.463 4.984 1.00 26.54 C ATOM 2006 C GLU C 22 12.932 2.232 5.757 1.00 24.82 C ATOM 2007 O GLU C 22 12.119 2.364 6.695 1.00 25.37 O ATOM 2008 CB GLU C 22 12.693 3.475 3.644 1.00 27.83 C ATOM 2009 CG GLU C 22 12.541 4.820 3.001 1.00 33.15 C ATOM 2010 CD GLU C 22 11.610 4.744 1.806 1.00 39.45 C ATOM 2011 OE1 GLU C 22 12.097 4.429 0.688 1.00 43.69 O ATOM 2012 OE2 GLU C 22 10.396 5.002 1.984 1.00 44.37 O ATOM 2013 HA GLU C 22 13.165 4.353 5.566 1.00 0.00 H ATOM 2014 HB2 GLU C 22 13.254 2.838 2.960 1.00 0.00 H ATOM 2015 HB3 GLU C 22 11.696 3.059 3.790 1.00 0.00 H ATOM 2016 HG2 GLU C 22 12.132 5.520 3.729 1.00 0.00 H ATOM 2017 HG3 GLU C 22 13.519 5.171 2.671 1.00 0.00 H ATOM 2018 H GLU C 22 15.223 3.512 3.807 1.00 0.00 H ATOM 2019 N ILE C 23 13.424 1.050 5.373 1.00 24.38 N ATOM 2020 CA ILE C 23 13.054 -0.222 6.027 1.00 23.38 C ATOM 2021 C ILE C 23 13.491 -0.249 7.499 1.00 23.17 C ATOM 2022 O ILE C 23 12.780 -0.780 8.371 1.00 22.13 O ATOM 2023 CB ILE C 23 13.603 -1.450 5.252 1.00 23.84 C ATOM 2024 CG1 ILE C 23 12.880 -1.596 3.906 1.00 23.54 C ATOM 2025 CG2 ILE C 23 13.488 -2.750 6.094 1.00 23.54 C ATOM 2026 CD1 ILE C 23 13.584 -2.532 2.936 1.00 24.51 C ATOM 2027 HA ILE C 23 11.966 -0.286 6.007 1.00 0.00 H ATOM 2028 HB ILE C 23 14.663 -1.284 5.058 1.00 0.00 H ATOM 2029 HG12 ILE C 23 11.878 -1.982 4.093 1.00 0.00 H ATOM 2030 HG13 ILE C 23 12.808 -0.611 3.444 1.00 0.00 H ATOM 2031 HD11 ILE C 23 14.585 -2.153 2.729 1.00 0.00 H ATOM 2032 HD12 ILE C 23 13.654 -3.526 3.378 1.00 0.00 H ATOM 2033 HD13 ILE C 23 13.016 -2.585 2.007 1.00 0.00 H ATOM 2034 HG21 ILE C 23 14.061 -2.637 7.014 1.00 0.00 H ATOM 2035 HG22 ILE C 23 12.441 -2.933 6.336 1.00 0.00 H ATOM 2036 HG23 ILE C 23 13.882 -3.589 5.520 1.00 0.00 H ATOM 2037 H ILE C 23 14.096 1.025 4.580 1.00 0.00 H ATOM 2038 N ALA C 24 14.657 0.325 7.776 1.00 22.37 N ATOM 2039 CA ALA C 24 15.130 0.470 9.172 1.00 22.11 C ATOM 2040 C ALA C 24 14.225 1.387 9.996 1.00 22.57 C ATOM 2041 O ALA C 24 13.884 1.072 11.157 1.00 23.22 O ATOM 2042 CB ALA C 24 16.570 0.980 9.201 1.00 22.39 C ATOM 2043 HA ALA C 24 15.093 -0.519 9.628 1.00 0.00 H ATOM 2044 HB1 ALA C 24 17.215 0.272 8.680 1.00 0.00 H ATOM 2045 HB2 ALA C 24 16.620 1.951 8.708 1.00 0.00 H ATOM 2046 HB3 ALA C 24 16.898 1.079 10.236 1.00 0.00 H ATOM 2047 H ALA C 24 15.249 0.679 6.998 1.00 0.00 H ATOM 2048 N ARG C 25 13.811 2.510 9.400 1.00 22.53 N ATOM 2049 CA ARG C 25 12.861 3.424 10.076 1.00 23.60 C ATOM 2050 C ARG C 25 11.503 2.740 10.325 1.00 22.91 C ATOM 2051 O ARG C 25 10.908 2.884 11.416 1.00 23.08 O ATOM 2052 CB ARG C 25 12.675 4.711 9.278 1.00 24.41 C ATOM 2053 CG ARG C 25 13.976 5.512 9.169 1.00 27.79 C ATOM 2054 CD ARG C 25 13.779 6.937 8.675 1.00 35.90 C ATOM 2055 NE ARG C 25 13.359 7.029 7.276 1.00 39.12 N ATOM 2056 CZ ARG C 25 14.174 7.086 6.213 1.00 43.03 C ATOM 2057 NH1 ARG C 25 15.504 7.034 6.339 1.00 43.42 N ATOM 2058 NH2 ARG C 25 13.647 7.184 4.996 1.00 43.96 N ATOM 2059 HA ARG C 25 13.290 3.681 11.044 1.00 0.00 H ATOM 2060 HB2 ARG C 25 12.333 4.457 8.275 1.00 0.00 H ATOM 2061 HB3 ARG C 25 11.923 5.326 9.772 1.00 0.00 H ATOM 2062 HG2 ARG C 25 14.440 5.551 10.155 1.00 0.00 H ATOM 2063 HG3 ARG C 25 14.641 4.996 8.476 1.00 0.00 H ATOM 2064 HD2 ARG C 25 14.722 7.472 8.786 1.00 0.00 H ATOM 2065 HD3 ARG C 25 13.018 7.412 9.294 1.00 0.00 H ATOM 2066 HE ARG C 25 12.336 7.052 7.090 1.00 0.00 H ATOM 2067 HH12 ARG C 25 16.109 7.081 5.494 1.00 0.00 H ATOM 2068 HH11 ARG C 25 15.934 6.947 7.282 1.00 0.00 H ATOM 2069 HH22 ARG C 25 14.268 7.229 4.163 1.00 0.00 H ATOM 2070 HH21 ARG C 25 12.614 7.216 4.878 1.00 0.00 H ATOM 2071 H ARG C 25 14.161 2.745 8.449 1.00 0.00 H ATOM 2072 N ILE C 26 11.032 1.988 9.327 1.00 22.57 N ATOM 2073 CA ILE C 26 9.763 1.244 9.412 1.00 23.68 C ATOM 2074 C ILE C 26 9.848 0.204 10.542 1.00 24.17 C ATOM 2075 O ILE C 26 8.929 0.104 11.375 1.00 22.67 O ATOM 2076 CB ILE C 26 9.379 0.596 8.051 1.00 23.40 C ATOM 2077 CG1 ILE C 26 8.883 1.667 7.058 1.00 21.56 C ATOM 2078 CG2 ILE C 26 8.322 -0.549 8.242 1.00 25.08 C ATOM 2079 CD1 ILE C 26 8.889 1.211 5.579 1.00 24.27 C ATOM 2080 HA ILE C 26 8.963 1.946 9.648 1.00 0.00 H ATOM 2081 HB ILE C 26 10.274 0.139 7.629 1.00 0.00 H ATOM 2082 HG12 ILE C 26 7.862 1.938 7.328 1.00 0.00 H ATOM 2083 HG13 ILE C 26 9.526 2.542 7.149 1.00 0.00 H ATOM 2084 HD11 ILE C 26 9.905 0.947 5.285 1.00 0.00 H ATOM 2085 HD12 ILE C 26 8.240 0.343 5.465 1.00 0.00 H ATOM 2086 HD13 ILE C 26 8.526 2.023 4.948 1.00 0.00 H ATOM 2087 HG21 ILE C 26 8.738 -1.321 8.889 1.00 0.00 H ATOM 2088 HG22 ILE C 26 7.421 -0.138 8.697 1.00 0.00 H ATOM 2089 HG23 ILE C 26 8.076 -0.980 7.272 1.00 0.00 H ATOM 2090 H ILE C 26 11.586 1.925 8.449 1.00 0.00 H ATOM 2091 N LYS C 27 10.957 -0.542 10.591 1.00 23.51 N ATOM 2092 CA LYS C 27 11.154 -1.540 11.670 1.00 23.89 C ATOM 2093 C LYS C 27 11.148 -0.925 13.069 1.00 23.74 C ATOM 2094 O LYS C 27 10.498 -1.455 13.996 1.00 23.52 O ATOM 2095 CB LYS C 27 12.424 -2.372 11.425 1.00 24.26 C ATOM 2096 CG LYS C 27 12.235 -3.378 10.290 1.00 26.79 C ATOM 2097 CD LYS C 27 13.561 -3.940 9.804 1.00 31.90 C ATOM 2098 CE LYS C 27 14.166 -4.952 10.746 1.00 35.54 C ATOM 2099 NZ LYS C 27 15.494 -5.411 10.221 1.00 38.80 N ATOM 2100 HA LYS C 27 10.293 -2.208 11.634 1.00 0.00 H ATOM 2101 HB2 LYS C 27 13.242 -1.699 11.168 1.00 0.00 H ATOM 2102 HB3 LYS C 27 12.673 -2.913 12.338 1.00 0.00 H ATOM 2103 HG2 LYS C 27 11.613 -4.199 10.647 1.00 0.00 H ATOM 2104 HG3 LYS C 27 11.736 -2.881 9.458 1.00 0.00 H ATOM 2105 HD2 LYS C 27 13.400 -4.420 8.839 1.00 0.00 H ATOM 2106 HD3 LYS C 27 14.263 -3.115 9.686 1.00 0.00 H ATOM 2107 HE2 LYS C 27 13.497 -5.808 10.835 1.00 0.00 H ATOM 2108 HE3 LYS C 27 14.303 -4.496 11.727 1.00 0.00 H ATOM 2109 HZ1 LYS C 27 15.364 -5.848 9.286 1.00 0.00 H ATOM 2110 HZ2 LYS C 27 16.133 -4.595 10.138 1.00 0.00 H ATOM 2111 HZ3 LYS C 27 15.903 -6.108 10.876 1.00 0.00 H ATOM 2112 H LYS C 27 11.690 -0.421 9.863 1.00 0.00 H ATOM 2113 N LYS C 28 11.823 0.208 13.217 1.00 22.44 N ATOM 2114 CA LYS C 28 11.846 0.933 14.503 1.00 22.82 C ATOM 2115 C LYS C 28 10.421 1.336 14.911 1.00 22.41 C ATOM 2116 O LYS C 28 10.018 1.164 16.084 1.00 22.32 O ATOM 2117 CB LYS C 28 12.688 2.197 14.404 1.00 23.00 C ATOM 2118 CG LYS C 28 12.808 2.938 15.735 1.00 25.73 C ATOM 2119 CD LYS C 28 13.623 4.195 15.669 1.00 30.21 C ATOM 2120 CE LYS C 28 13.774 4.777 17.064 1.00 32.91 C ATOM 2121 NZ LYS C 28 14.503 6.067 17.016 1.00 34.98 N ATOM 2122 HA LYS C 28 12.279 0.265 15.247 1.00 0.00 H ATOM 2123 HB2 LYS C 28 13.688 1.924 14.067 1.00 0.00 H ATOM 2124 HB3 LYS C 28 12.229 2.864 13.674 1.00 0.00 H ATOM 2125 HG2 LYS C 28 11.805 3.198 16.073 1.00 0.00 H ATOM 2126 HG3 LYS C 28 13.271 2.268 16.459 1.00 0.00 H ATOM 2127 HD2 LYS C 28 14.608 3.968 15.261 1.00 0.00 H ATOM 2128 HD3 LYS C 28 13.123 4.919 15.026 1.00 0.00 H ATOM 2129 HE2 LYS C 28 14.328 4.075 17.687 1.00 0.00 H ATOM 2130 HE3 LYS C 28 12.785 4.940 17.493 1.00 0.00 H ATOM 2131 HZ1 LYS C 28 15.448 5.915 16.610 1.00 0.00 H ATOM 2132 HZ2 LYS C 28 13.975 6.740 16.425 1.00 0.00 H ATOM 2133 HZ3 LYS C 28 14.595 6.448 17.979 1.00 0.00 H ATOM 2134 H LYS C 28 12.349 0.595 12.407 1.00 0.00 H ATOM 2135 N LEU C 29 9.672 1.914 13.975 1.00 21.10 N ATOM 2136 CA LEU C 29 8.314 2.394 14.312 1.00 22.17 C ATOM 2137 C LEU C 29 7.398 1.208 14.602 1.00 21.17 C ATOM 2138 O LEU C 29 6.597 1.216 15.574 1.00 23.22 O ATOM 2139 CB LEU C 29 7.758 3.296 13.225 1.00 21.15 C ATOM 2140 CG LEU C 29 6.303 3.742 13.361 1.00 22.90 C ATOM 2141 CD1 LEU C 29 6.128 4.510 14.687 1.00 21.79 C ATOM 2142 CD2 LEU C 29 5.838 4.607 12.160 1.00 23.47 C ATOM 2143 HA LEU C 29 8.372 3.002 15.215 1.00 0.00 H ATOM 2144 HB2 LEU C 29 8.375 4.194 13.197 1.00 0.00 H ATOM 2145 HB3 LEU C 29 7.851 2.764 12.278 1.00 0.00 H ATOM 2146 HG LEU C 29 5.674 2.852 13.365 1.00 0.00 H ATOM 2147 HD21 LEU C 29 6.461 5.499 12.094 1.00 0.00 H ATOM 2148 HD22 LEU C 29 5.930 4.029 11.240 1.00 0.00 H ATOM 2149 HD23 LEU C 29 4.798 4.898 12.305 1.00 0.00 H ATOM 2150 HD11 LEU C 29 6.390 3.858 15.520 1.00 0.00 H ATOM 2151 HD12 LEU C 29 6.780 5.383 14.688 1.00 0.00 H ATOM 2152 HD13 LEU C 29 5.091 4.829 14.786 1.00 0.00 H ATOM 2153 H LEU C 29 10.040 2.028 13.009 1.00 0.00 H ATOM 2154 N LEU C 30 7.539 0.159 13.809 1.00 22.40 N ATOM 2155 CA LEU C 30 6.756 -1.046 14.032 1.00 22.96 C ATOM 2156 C LEU C 30 7.055 -1.603 15.424 1.00 22.37 C ATOM 2157 O LEU C 30 6.126 -1.972 16.143 1.00 24.19 O ATOM 2158 CB LEU C 30 7.028 -2.091 12.951 1.00 21.80 C ATOM 2159 CG LEU C 30 6.285 -3.427 13.016 1.00 23.75 C ATOM 2160 CD1 LEU C 30 4.751 -3.270 13.128 1.00 24.45 C ATOM 2161 CD2 LEU C 30 6.653 -4.281 11.796 1.00 24.09 C ATOM 2162 HA LEU C 30 5.698 -0.791 13.974 1.00 0.00 H ATOM 2163 HB2 LEU C 30 6.782 -1.633 11.993 1.00 0.00 H ATOM 2164 HB3 LEU C 30 8.094 -2.315 12.982 1.00 0.00 H ATOM 2165 HG LEU C 30 6.604 -3.927 13.931 1.00 0.00 H ATOM 2166 HD21 LEU C 30 6.370 -3.753 10.886 1.00 0.00 H ATOM 2167 HD22 LEU C 30 7.728 -4.463 11.793 1.00 0.00 H ATOM 2168 HD23 LEU C 30 6.122 -5.232 11.846 1.00 0.00 H ATOM 2169 HD11 LEU C 30 4.509 -2.715 14.034 1.00 0.00 H ATOM 2170 HD12 LEU C 30 4.378 -2.729 12.259 1.00 0.00 H ATOM 2171 HD13 LEU C 30 4.288 -4.256 13.170 1.00 0.00 H ATOM 2172 H LEU C 30 8.215 0.196 13.020 1.00 0.00 H ATOM 2173 N GLN C 31 8.330 -1.622 15.822 1.00 22.27 N ATOM 2174 CA GLN C 31 8.683 -2.090 17.175 1.00 23.08 C ATOM 2175 C GLN C 31 8.094 -1.206 18.301 1.00 22.84 C ATOM 2176 O GLN C 31 7.638 -1.711 19.338 1.00 23.07 O ATOM 2177 CB GLN C 31 10.195 -2.315 17.318 1.00 24.13 C ATOM 2178 CG GLN C 31 10.670 -3.546 16.528 1.00 26.31 C ATOM 2179 CD GLN C 31 10.125 -4.885 17.058 1.00 29.22 C ATOM 2180 OE1 GLN C 31 9.816 -5.042 18.257 1.00 34.99 O ATOM 2181 NE2 GLN C 31 10.021 -5.862 16.165 1.00 31.08 N ATOM 2182 HA GLN C 31 8.205 -3.061 17.302 1.00 0.00 H ATOM 2183 HB2 GLN C 31 10.719 -1.434 16.947 1.00 0.00 H ATOM 2184 HB3 GLN C 31 10.432 -2.460 18.372 1.00 0.00 H ATOM 2185 HG2 GLN C 31 10.350 -3.432 15.492 1.00 0.00 H ATOM 2186 HG3 GLN C 31 11.759 -3.580 16.569 1.00 0.00 H ATOM 2187 HE22 GLN C 31 10.289 -5.692 15.175 1.00 0.00 H ATOM 2188 HE21 GLN C 31 9.672 -6.797 16.456 1.00 0.00 H ATOM 2189 H GLN C 31 9.078 -1.305 15.173 1.00 0.00 H ATOM 2190 N LEU C 32 8.077 0.099 18.082 1.00 21.41 N ATOM 2191 CA LEU C 32 7.349 1.015 18.977 1.00 21.64 C ATOM 2192 C LEU C 32 5.856 0.640 19.117 1.00 21.56 C ATOM 2193 O LEU C 32 5.320 0.641 20.228 1.00 21.55 O ATOM 2194 CB LEU C 32 7.494 2.459 18.521 1.00 22.15 C ATOM 2195 CG LEU C 32 8.863 3.136 18.799 1.00 23.81 C ATOM 2196 CD1 LEU C 32 9.053 4.434 17.992 1.00 25.49 C ATOM 2197 CD2 LEU C 32 9.022 3.438 20.312 1.00 26.04 C ATOM 2198 HA LEU C 32 7.803 0.913 19.963 1.00 0.00 H ATOM 2199 HB2 LEU C 32 7.323 2.486 17.445 1.00 0.00 H ATOM 2200 HB3 LEU C 32 6.725 3.045 19.025 1.00 0.00 H ATOM 2201 HG LEU C 32 9.631 2.432 18.480 1.00 0.00 H ATOM 2202 HD21 LEU C 32 8.224 4.107 20.634 1.00 0.00 H ATOM 2203 HD22 LEU C 32 8.966 2.506 20.875 1.00 0.00 H ATOM 2204 HD23 LEU C 32 9.988 3.912 20.487 1.00 0.00 H ATOM 2205 HD11 LEU C 32 8.999 4.209 16.927 1.00 0.00 H ATOM 2206 HD12 LEU C 32 8.268 5.142 18.256 1.00 0.00 H ATOM 2207 HD13 LEU C 32 10.026 4.866 18.225 1.00 0.00 H ATOM 2208 H LEU C 32 8.587 0.485 17.262 1.00 0.00 H ATOM 2209 N THR C 33 5.185 0.339 18.011 1.00 20.90 N ATOM 2210 CA THR C 33 3.757 0.002 18.071 1.00 20.59 C ATOM 2211 C THR C 33 3.541 -1.310 18.809 1.00 20.91 C ATOM 2212 O THR C 33 2.554 -1.441 19.560 1.00 21.59 O ATOM 2213 CB THR C 33 3.079 -0.048 16.690 1.00 20.77 C ATOM 2214 OG1 THR C 33 3.630 -1.119 15.916 1.00 20.32 O ATOM 2215 CG2 THR C 33 3.190 1.306 15.958 1.00 20.22 C ATOM 2216 HA THR C 33 3.282 0.813 18.623 1.00 0.00 H ATOM 2217 HB THR C 33 2.015 -0.240 16.830 1.00 0.00 H ATOM 2218 HG1 THR C 33 3.189 -1.145 15.030 1.00 0.00 H ATOM 2219 HG23 THR C 33 2.760 2.091 16.581 1.00 0.00 H ATOM 2220 HG21 THR C 33 4.239 1.528 15.765 1.00 0.00 H ATOM 2221 HG22 THR C 33 2.649 1.252 15.013 1.00 0.00 H ATOM 2222 H THR C 33 5.676 0.342 17.094 1.00 0.00 H ATOM 2223 N VAL C 34 4.448 -2.278 18.595 1.00 21.13 N ATOM 2224 CA VAL C 34 4.429 -3.543 19.351 1.00 22.34 C ATOM 2225 C VAL C 34 4.524 -3.268 20.880 1.00 23.01 C ATOM 2226 O VAL C 34 3.686 -3.764 21.678 1.00 23.34 O ATOM 2227 CB VAL C 34 5.520 -4.536 18.873 1.00 23.28 C ATOM 2228 CG1 VAL C 34 5.581 -5.732 19.801 1.00 23.07 C ATOM 2229 CG2 VAL C 34 5.209 -4.970 17.440 1.00 22.08 C ATOM 2230 HA VAL C 34 3.473 -4.028 19.153 1.00 0.00 H ATOM 2231 HB VAL C 34 6.495 -4.049 18.891 1.00 0.00 H ATOM 2232 HG11 VAL C 34 5.821 -5.396 20.810 1.00 0.00 H ATOM 2233 HG12 VAL C 34 4.615 -6.237 19.805 1.00 0.00 H ATOM 2234 HG13 VAL C 34 6.351 -6.421 19.454 1.00 0.00 H ATOM 2235 HG21 VAL C 34 4.233 -5.455 17.412 1.00 0.00 H ATOM 2236 HG22 VAL C 34 5.199 -4.095 16.791 1.00 0.00 H ATOM 2237 HG23 VAL C 34 5.973 -5.668 17.099 1.00 0.00 H ATOM 2238 H VAL C 34 5.184 -2.130 17.875 1.00 0.00 H ATOM 2239 N TRP C 35 5.506 -2.453 21.261 1.00 22.89 N ATOM 2240 CA TRP C 35 5.679 -2.001 22.653 1.00 23.74 C ATOM 2241 C TRP C 35 4.412 -1.309 23.211 1.00 23.14 C ATOM 2242 O TRP C 35 4.016 -1.571 24.361 1.00 23.03 O ATOM 2243 CB TRP C 35 6.856 -1.043 22.742 1.00 25.60 C ATOM 2244 CG TRP C 35 7.138 -0.588 24.128 1.00 25.84 C ATOM 2245 CD1 TRP C 35 8.012 -1.153 25.008 1.00 29.25 C ATOM 2246 CD2 TRP C 35 6.516 0.511 24.822 1.00 27.14 C ATOM 2247 NE1 TRP C 35 7.997 -0.458 26.196 1.00 30.56 N ATOM 2248 CE2 TRP C 35 7.082 0.560 26.114 1.00 28.27 C ATOM 2249 CE3 TRP C 35 5.560 1.471 24.466 1.00 27.08 C ATOM 2250 CZ2 TRP C 35 6.701 1.522 27.065 1.00 29.80 C ATOM 2251 CZ3 TRP C 35 5.162 2.420 25.419 1.00 28.32 C ATOM 2252 CH2 TRP C 35 5.738 2.433 26.702 1.00 27.60 C ATOM 2253 HA TRP C 35 5.865 -2.888 23.258 1.00 0.00 H ATOM 2254 HB2 TRP C 35 7.742 -1.546 22.355 1.00 0.00 H ATOM 2255 HB3 TRP C 35 6.639 -0.169 22.128 1.00 0.00 H ATOM 2256 HE1 TRP C 35 8.587 -0.671 27.025 1.00 0.00 H ATOM 2257 HD1 TRP C 35 8.631 -2.026 24.802 1.00 0.00 H ATOM 2258 HZ2 TRP C 35 7.154 1.545 28.056 1.00 0.00 H ATOM 2259 HH2 TRP C 35 5.414 3.182 27.424 1.00 0.00 H ATOM 2260 HZ3 TRP C 35 4.399 3.155 25.163 1.00 0.00 H ATOM 2261 HE3 TRP C 35 5.132 1.480 23.464 1.00 0.00 H ATOM 2262 H TRP C 35 6.181 -2.120 20.544 1.00 0.00 H ATOM 2263 N GLY C 36 3.804 -0.414 22.429 1.00 22.60 N ATOM 2264 CA GLY C 36 2.608 0.346 22.890 1.00 22.41 C ATOM 2265 C GLY C 36 1.415 -0.557 23.118 1.00 22.50 C ATOM 2266 O GLY C 36 0.682 -0.410 24.127 1.00 22.66 O ATOM 2267 HA3 GLY C 36 2.349 1.087 22.134 1.00 0.00 H ATOM 2268 HA2 GLY C 36 2.851 0.851 23.825 1.00 0.00 H ATOM 2269 H GLY C 36 4.175 -0.243 21.473 1.00 0.00 H ATOM 2270 N ILE C 37 1.210 -1.512 22.215 1.00 21.61 N ATOM 2271 CA ILE C 37 0.135 -2.508 22.370 1.00 22.19 C ATOM 2272 C ILE C 37 0.392 -3.348 23.640 1.00 22.25 C ATOM 2273 O ILE C 37 -0.517 -3.580 24.453 1.00 21.24 O ATOM 2274 CB ILE C 37 -0.020 -3.409 21.114 1.00 21.90 C ATOM 2275 CG1 ILE C 37 -0.569 -2.615 19.914 1.00 21.23 C ATOM 2276 CG2 ILE C 37 -0.936 -4.610 21.393 1.00 22.03 C ATOM 2277 CD1 ILE C 37 -0.269 -3.269 18.511 1.00 21.99 C ATOM 2278 HA ILE C 37 -0.810 -1.976 22.478 1.00 0.00 H ATOM 2279 HB ILE C 37 0.977 -3.775 20.868 1.00 0.00 H ATOM 2280 HG12 ILE C 37 -1.650 -2.529 20.027 1.00 0.00 H ATOM 2281 HG13 ILE C 37 -0.123 -1.620 19.930 1.00 0.00 H ATOM 2282 HD11 ILE C 37 0.809 -3.352 18.373 1.00 0.00 H ATOM 2283 HD12 ILE C 37 -0.719 -4.261 18.470 1.00 0.00 H ATOM 2284 HD13 ILE C 37 -0.691 -2.645 17.723 1.00 0.00 H ATOM 2285 HG21 ILE C 37 -0.512 -5.210 22.198 1.00 0.00 H ATOM 2286 HG22 ILE C 37 -1.923 -4.252 21.686 1.00 0.00 H ATOM 2287 HG23 ILE C 37 -1.021 -5.218 20.492 1.00 0.00 H ATOM 2288 H ILE C 37 1.825 -1.557 21.377 1.00 0.00 H ATOM 2289 N LYS C 38 1.645 -3.762 23.816 1.00 22.30 N ATOM 2290 CA LYS C 38 2.044 -4.559 24.971 1.00 23.91 C ATOM 2291 C LYS C 38 1.739 -3.774 26.264 1.00 23.61 C ATOM 2292 O LYS C 38 1.223 -4.336 27.249 1.00 24.85 O ATOM 2293 CB LYS C 38 3.536 -4.883 24.897 1.00 24.68 C ATOM 2294 CG LYS C 38 3.930 -6.031 25.816 1.00 27.06 C ATOM 2295 CD LYS C 38 5.436 -6.220 25.798 1.00 30.54 C ATOM 2296 CE LYS C 38 5.884 -7.056 26.989 1.00 36.27 C ATOM 2297 NZ LYS C 38 5.410 -8.466 26.857 1.00 39.54 N ATOM 2298 HA LYS C 38 1.484 -5.494 24.973 1.00 0.00 H ATOM 2299 HB2 LYS C 38 3.784 -5.155 23.871 1.00 0.00 H ATOM 2300 HB3 LYS C 38 4.101 -3.996 25.183 1.00 0.00 H ATOM 2301 HG2 LYS C 38 3.607 -5.807 26.832 1.00 0.00 H ATOM 2302 HG3 LYS C 38 3.447 -6.947 25.476 1.00 0.00 H ATOM 2303 HD2 LYS C 38 5.723 -6.726 24.876 1.00 0.00 H ATOM 2304 HD3 LYS C 38 5.921 -5.245 25.842 1.00 0.00 H ATOM 2305 HE2 LYS C 38 5.474 -6.625 27.903 1.00 0.00 H ATOM 2306 HE3 LYS C 38 6.973 -7.048 27.042 1.00 0.00 H ATOM 2307 HZ1 LYS C 38 4.371 -8.478 26.810 1.00 0.00 H ATOM 2308 HZ2 LYS C 38 5.802 -8.882 25.988 1.00 0.00 H ATOM 2309 HZ3 LYS C 38 5.728 -9.016 27.681 1.00 0.00 H ATOM 2310 H LYS C 38 2.363 -3.509 23.107 1.00 0.00 H ATOM 2311 N GLN C 39 2.066 -2.486 26.242 1.00 24.34 N ATOM 2312 CA GLN C 39 1.926 -1.596 27.408 1.00 24.92 C ATOM 2313 C GLN C 39 0.453 -1.380 27.731 1.00 24.93 C ATOM 2314 O GLN C 39 0.049 -1.465 28.896 1.00 25.05 O ATOM 2315 CB GLN C 39 2.610 -0.253 27.125 1.00 26.61 C ATOM 2316 CG GLN C 39 2.628 0.731 28.294 1.00 28.59 C ATOM 2317 CD GLN C 39 3.512 0.280 29.465 1.00 31.98 C ATOM 2318 OE1 GLN C 39 4.454 -0.516 29.297 1.00 35.37 O ATOM 2319 NE2 GLN C 39 3.205 0.793 30.663 1.00 32.77 N ATOM 2320 HA GLN C 39 2.406 -2.062 28.269 1.00 0.00 H ATOM 2321 HB2 GLN C 39 3.642 -0.454 26.838 1.00 0.00 H ATOM 2322 HB3 GLN C 39 2.089 0.222 26.293 1.00 0.00 H ATOM 2323 HG2 GLN C 39 2.999 1.690 27.932 1.00 0.00 H ATOM 2324 HG3 GLN C 39 1.608 0.852 28.659 1.00 0.00 H ATOM 2325 HE22 GLN C 39 2.409 1.455 30.756 1.00 0.00 H ATOM 2326 HE21 GLN C 39 3.763 0.529 31.500 1.00 0.00 H ATOM 2327 H GLN C 39 2.439 -2.086 25.357 1.00 0.00 H ATOM 2328 N LEU C 40 -0.338 -1.110 26.700 1.00 23.85 N ATOM 2329 CA LEU C 40 -1.798 -0.988 26.866 1.00 24.28 C ATOM 2330 C LEU C 40 -2.393 -2.222 27.499 1.00 24.08 C ATOM 2331 O LEU C 40 -3.129 -2.121 28.496 1.00 24.56 O ATOM 2332 CB LEU C 40 -2.485 -0.720 25.537 1.00 24.59 C ATOM 2333 CG LEU C 40 -2.408 0.681 24.921 1.00 25.75 C ATOM 2334 CD1 LEU C 40 -3.131 0.689 23.571 1.00 28.11 C ATOM 2335 CD2 LEU C 40 -2.993 1.779 25.800 1.00 28.32 C ATOM 2336 HA LEU C 40 -1.966 -0.140 27.530 1.00 0.00 H ATOM 2337 HB2 LEU C 40 -2.055 -1.410 24.812 1.00 0.00 H ATOM 2338 HB3 LEU C 40 -3.542 -0.950 25.673 1.00 0.00 H ATOM 2339 HG LEU C 40 -1.347 0.901 24.807 1.00 0.00 H ATOM 2340 HD21 LEU C 40 -4.045 1.568 25.990 1.00 0.00 H ATOM 2341 HD22 LEU C 40 -2.452 1.813 26.745 1.00 0.00 H ATOM 2342 HD23 LEU C 40 -2.899 2.738 25.291 1.00 0.00 H ATOM 2343 HD11 LEU C 40 -2.656 -0.028 22.902 1.00 0.00 H ATOM 2344 HD12 LEU C 40 -4.175 0.414 23.718 1.00 0.00 H ATOM 2345 HD13 LEU C 40 -3.074 1.687 23.136 1.00 0.00 H ATOM 2346 H LEU C 40 0.080 -0.982 25.756 1.00 0.00 H ATOM 2347 N GLN C 41 -2.094 -3.386 26.927 1.00 23.26 N ATOM 2348 CA GLN C 41 -2.674 -4.636 27.426 1.00 24.28 C ATOM 2349 C GLN C 41 -2.223 -4.938 28.858 1.00 24.81 C ATOM 2350 O GLN C 41 -3.029 -5.422 29.667 1.00 25.76 O ATOM 2351 CB GLN C 41 -2.381 -5.798 26.472 1.00 24.24 C ATOM 2352 CG GLN C 41 -2.969 -7.121 26.929 1.00 26.25 C ATOM 2353 CD GLN C 41 -2.340 -8.333 26.276 1.00 26.38 C ATOM 2354 OE1 GLN C 41 -1.118 -8.414 26.133 1.00 29.40 O ATOM 2355 NE2 GLN C 41 -3.180 -9.290 25.867 1.00 26.72 N ATOM 2356 HA GLN C 41 -3.756 -4.510 27.461 1.00 0.00 H ATOM 2357 HB2 GLN C 41 -2.797 -5.555 25.494 1.00 0.00 H ATOM 2358 HB3 GLN C 41 -1.300 -5.911 26.388 1.00 0.00 H ATOM 2359 HG2 GLN C 41 -2.832 -7.203 28.007 1.00 0.00 H ATOM 2360 HG3 GLN C 41 -4.034 -7.121 26.698 1.00 0.00 H ATOM 2361 HE22 GLN C 41 -4.204 -9.178 26.009 1.00 0.00 H ATOM 2362 HE21 GLN C 41 -2.809 -10.146 25.407 1.00 0.00 H ATOM 2363 H GLN C 41 -1.442 -3.409 26.117 1.00 0.00 H ATOM 2364 N ALA C 42 -0.962 -4.638 29.170 1.00 24.28 N ATOM 2365 CA ALA C 42 -0.394 -4.805 30.525 1.00 26.03 C ATOM 2366 C ALA C 42 -1.129 -3.985 31.565 1.00 27.23 C ATOM 2367 O ALA C 42 -1.360 -4.448 32.683 1.00 27.23 O ATOM 2368 CB ALA C 42 1.096 -4.406 30.523 1.00 26.56 C ATOM 2369 HA ALA C 42 -0.505 -5.856 30.791 1.00 0.00 H ATOM 2370 HB1 ALA C 42 1.640 -5.041 29.824 1.00 0.00 H ATOM 2371 HB2 ALA C 42 1.191 -3.364 30.219 1.00 0.00 H ATOM 2372 HB3 ALA C 42 1.506 -4.532 31.525 1.00 0.00 H ATOM 2373 H ALA C 42 -0.345 -4.267 28.420 1.00 0.00 H ATOM 2374 N ARG C 43 -1.477 -2.753 31.212 1.00 28.03 N ATOM 2375 CA ARG C 43 -2.056 -1.845 32.195 1.00 29.27 C ATOM 2376 C ARG C 43 -3.489 -2.279 32.518 1.00 29.52 C ATOM 2377 O ARG C 43 -3.995 -2.041 33.607 1.00 29.99 O ATOM 2378 CB ARG C 43 -1.997 -0.398 31.692 1.00 29.48 C ATOM 2379 CG ARG C 43 -0.592 0.238 31.717 1.00 32.64 C ATOM 2380 CD ARG C 43 0.032 0.302 33.151 1.00 38.40 C ATOM 2381 NE ARG C 43 0.284 -1.036 33.714 1.00 44.72 N ATOM 2382 CZ ARG C 43 0.206 -1.369 35.011 1.00 47.24 C ATOM 2383 NH1 ARG C 43 -0.115 -0.471 35.937 1.00 48.75 N ATOM 2384 NH2 ARG C 43 0.444 -2.620 35.390 1.00 47.93 N ATOM 2385 HA ARG C 43 -1.474 -1.889 33.116 1.00 0.00 H ATOM 2386 HB2 ARG C 43 -2.359 -0.381 30.664 1.00 0.00 H ATOM 2387 HB3 ARG C 43 -2.654 0.206 32.318 1.00 0.00 H ATOM 2388 HG2 ARG C 43 0.066 -0.351 31.079 1.00 0.00 H ATOM 2389 HG3 ARG C 43 -0.664 1.252 31.325 1.00 0.00 H ATOM 2390 HD2 ARG C 43 -0.655 0.835 33.808 1.00 0.00 H ATOM 2391 HD3 ARG C 43 0.977 0.844 33.098 1.00 0.00 H ATOM 2392 HE ARG C 43 0.546 -1.789 33.046 1.00 0.00 H ATOM 2393 HH12 ARG C 43 -0.170 -0.752 36.937 1.00 0.00 H ATOM 2394 HH11 ARG C 43 -0.312 0.512 35.662 1.00 0.00 H ATOM 2395 HH22 ARG C 43 0.384 -2.879 36.395 1.00 0.00 H ATOM 2396 HH21 ARG C 43 0.691 -3.340 34.681 1.00 0.00 H ATOM 2397 H ARG C 43 -1.336 -2.435 30.232 1.00 0.00 H ATOM 2398 N ILE C 44 -4.122 -2.910 31.539 1.00 30.17 N ATOM 2399 CA ILE C 44 -5.488 -3.425 31.657 1.00 31.43 C ATOM 2400 C ILE C 44 -5.490 -4.762 32.408 1.00 32.22 C ATOM 2401 O ILE C 44 -6.238 -4.944 33.385 1.00 32.56 O ATOM 2402 CB ILE C 44 -6.128 -3.566 30.248 1.00 31.54 C ATOM 2403 CG1 ILE C 44 -6.194 -2.198 29.550 1.00 30.62 C ATOM 2404 CG2 ILE C 44 -7.489 -4.250 30.325 1.00 32.23 C ATOM 2405 CD1 ILE C 44 -6.398 -2.238 28.026 1.00 31.35 C ATOM 2406 HA ILE C 44 -6.088 -2.719 32.232 1.00 0.00 H ATOM 2407 HB ILE C 44 -5.494 -4.210 29.639 1.00 0.00 H ATOM 2408 HG12 ILE C 44 -7.023 -1.639 29.985 1.00 0.00 H ATOM 2409 HG13 ILE C 44 -5.259 -1.674 29.750 1.00 0.00 H ATOM 2410 HD11 ILE C 44 -5.572 -2.779 27.564 1.00 0.00 H ATOM 2411 HD12 ILE C 44 -7.337 -2.744 27.800 1.00 0.00 H ATOM 2412 HD13 ILE C 44 -6.430 -1.220 27.638 1.00 0.00 H ATOM 2413 HG21 ILE C 44 -7.370 -5.245 30.754 1.00 0.00 H ATOM 2414 HG22 ILE C 44 -8.156 -3.659 30.953 1.00 0.00 H ATOM 2415 HG23 ILE C 44 -7.910 -4.333 29.323 1.00 0.00 H ATOM 2416 H ILE C 44 -3.621 -3.047 30.638 1.00 0.00 H ATOM 2417 N LEU C 45 -4.632 -5.684 31.976 1.00 33.19 N ATOM 2418 CA LEU C 45 -4.624 -7.045 32.490 1.00 34.41 C ATOM 2419 C LEU C 45 -3.901 -7.198 33.831 1.00 35.66 C ATOM 2420 O LEU C 45 -4.352 -7.953 34.696 1.00 36.32 O ATOM 2421 CB LEU C 45 -4.036 -8.009 31.462 1.00 34.56 C ATOM 2422 CG LEU C 45 -4.876 -8.359 30.228 1.00 34.47 C ATOM 2423 CD1 LEU C 45 -4.246 -9.523 29.506 1.00 35.93 C ATOM 2424 CD2 LEU C 45 -6.313 -8.727 30.634 1.00 34.19 C ATOM 2425 HA LEU C 45 -5.669 -7.296 32.675 1.00 0.00 H ATOM 2426 HB2 LEU C 45 -3.104 -7.571 31.104 1.00 0.00 H ATOM 2427 HB3 LEU C 45 -3.821 -8.943 31.981 1.00 0.00 H ATOM 2428 HG LEU C 45 -4.911 -7.489 29.572 1.00 0.00 H ATOM 2429 HD21 LEU C 45 -6.291 -9.588 31.302 1.00 0.00 H ATOM 2430 HD22 LEU C 45 -6.773 -7.881 31.145 1.00 0.00 H ATOM 2431 HD23 LEU C 45 -6.890 -8.971 29.742 1.00 0.00 H ATOM 2432 HD11 LEU C 45 -3.237 -9.253 29.195 1.00 0.00 H ATOM 2433 HD12 LEU C 45 -4.204 -10.383 30.174 1.00 0.00 H ATOM 2434 HD13 LEU C 45 -4.844 -9.771 28.629 1.00 0.00 H ATOM 2435 H LEU C 45 -3.942 -5.421 31.244 1.00 0.00 H TER 2436 LEU C 45 HETATM 2437 O HOH 1 -12.375 -4.076 17.440 1.00 26.38 O HETATM 2438 O HOH 2 16.167 -2.408 -4.399 1.00 33.40 O HETATM 2439 O HOH 3 7.467 -11.252 11.226 1.00 28.98 O HETATM 2440 O HOH 4 0.615 -11.954 10.512 1.00 41.60 O HETATM 2441 O HOH 5 -8.846 -9.014 17.103 1.00 32.54 O HETATM 2442 O HOH 6 -13.634 2.355 19.804 1.00 37.86 O HETATM 2443 O HOH 7 8.408 -9.456 -0.001 1.00 36.27 O HETATM 2444 O HOH 8 30.983 10.146 -20.917 1.00 40.82 O HETATM 2445 O HOH 9 16.567 -10.349 4.928 1.00 38.29 O HETATM 2446 O HOH 10 -14.655 -3.185 18.562 1.00 33.58 O HETATM 2447 O HOH 11 -13.986 -5.367 15.702 1.00 42.99 O HETATM 2448 O HOH 12 36.581 6.637 -18.928 1.00 51.24 O HETATM 2449 O HOH 13 -0.122 -12.021 7.975 1.00 43.56 O HETATM 2450 O HOH 14 34.139 6.966 -18.288 1.00 38.27 O HETATM 2451 O HOH 15 -11.577 -12.920 23.943 1.00 44.04 O HETATM 2452 O HOH 16 -6.989 -8.456 12.207 1.00 43.69 O HETATM 2453 O HOH 17 -16.645 -5.001 18.977 1.00 40.58 O HETATM 2454 O HOH 18 10.900 -13.469 5.298 1.00 55.33 O HETATM 2455 O HOH 19 8.392 -13.818 6.468 1.00 55.55 O HETATM 2456 O HOH 20 -4.584 -8.722 11.061 1.00 38.69 O HETATM 2457 O HOH 21 -16.835 -6.135 21.361 1.00 39.11 O HETATM 2458 O HOH 22 -14.205 -12.812 20.840 1.00 54.55 O HETATM 2459 O HOH 23 5.977 -9.739 1.014 1.00 54.67 O HETATM 2460 O HOH 24 25.966 -9.911 -13.111 1.00 37.99 O HETATM 2461 O HOH 25 4.468 -11.732 4.673 1.00 40.60 O HETATM 2462 O HOH 26 37.243 -5.978 -13.562 1.00 50.29 O HETATM 2463 O HOH 27 31.014 -8.728 -24.389 1.00 49.09 O HETATM 2464 O HOH 28 23.879 -11.628 -11.884 1.00 40.52 O HETATM 2465 O HOH 29 30.179 -11.116 -11.471 1.00 50.51 O HETATM 2466 O HOH 30 32.924 7.932 -20.456 1.00 39.79 O HETATM 2467 O HOH 31 -14.289 -13.321 25.160 1.00 40.12 O HETATM 2468 O HOH 32 10.667 -14.288 2.516 1.00 59.62 O HETATM 2469 O HOH 33 -19.051 -3.622 17.546 1.00 52.28 O HETATM 2470 O HOH 34 1.762 -1.428 13.900 1.00 28.23 O HETATM 2471 O HOH 35 26.818 -10.120 -18.540 1.00 33.36 O HETATM 2472 O HOH 36 -3.055 8.757 23.051 1.00 29.50 O HETATM 2473 O HOH 37 -0.847 8.270 12.270 1.00 33.49 O HETATM 2474 O HOH 38 27.217 -12.662 -18.707 1.00 40.31 O HETATM 2475 O HOH 39 28.449 -8.357 -25.276 1.00 29.31 O HETATM 2476 O HOH 40 -10.869 9.362 27.239 1.00 32.27 O HETATM 2477 O HOH 41 12.975 -11.771 -3.702 1.00 53.07 O HETATM 2478 O HOH 42 -4.209 7.929 28.631 1.00 33.25 O HETATM 2479 O HOH 43 -2.491 5.954 6.511 1.00 39.03 O HETATM 2480 O HOH 44 -10.389 11.072 25.259 1.00 37.26 O HETATM 2481 O HOH 45 -2.260 11.288 22.741 1.00 42.77 O HETATM 2482 O HOH 46 4.349 -4.241 -5.057 1.00 40.22 O HETATM 2483 O HOH 47 4.570 5.104 8.420 1.00 40.87 O HETATM 2484 O HOH 48 2.067 7.016 4.649 1.00 47.07 O HETATM 2485 O HOH 49 33.470 -11.294 -22.954 1.00 35.13 O HETATM 2486 O HOH 50 7.971 3.954 -1.434 1.00 40.41 O HETATM 2487 O HOH 51 -13.747 6.356 26.368 1.00 46.12 O HETATM 2488 O HOH 52 2.865 5.725 1.916 1.00 35.37 O HETATM 2489 O HOH 53 -1.588 9.455 14.925 1.00 45.77 O HETATM 2490 O HOH 54 -3.559 11.624 15.488 1.00 48.25 O HETATM 2491 O HOH 55 -13.351 8.760 25.853 1.00 48.83 O HETATM 2492 O HOH 56 4.724 -7.168 -4.117 1.00 48.58 O HETATM 2493 O HOH 57 -5.674 11.521 17.160 1.00 56.33 O HETATM 2494 O HOH 58 -11.900 6.406 19.053 1.00 45.61 O HETATM 2495 O HOH 59 13.719 -4.721 -23.214 1.00 54.65 O HETATM 2496 O HOH 60 3.229 -4.056 1.249 1.00 48.01 O HETATM 2497 O HOH 61 28.594 -11.315 -25.739 1.00 45.31 O HETATM 2498 O HOH 62 -2.201 1.621 0.730 1.00 44.08 O HETATM 2499 O HOH 63 12.938 1.719 -10.589 1.00 51.52 O HETATM 2500 O HOH 64 25.448 -10.300 -15.982 1.00 37.04 O HETATM 2501 O HOH 65 0.189 -8.847 4.731 1.00 44.34 O HETATM 2502 O HOH 66 -1.747 0.309 3.109 1.00 30.43 O HETATM 2503 O HOH 67 -0.060 7.914 5.975 1.00 47.57 O HETATM 2504 O HOH 68 4.716 7.615 6.603 1.00 47.70 O HETATM 2505 O HOH 69 -11.531 13.625 25.722 1.00 50.95 O HETATM 2506 O HOH 70 14.801 -8.759 -18.263 1.00 50.99 O HETATM 2507 O HOH 71 0.632 -6.442 6.540 1.00 52.36 O HETATM 2508 O HOH 72 22.201 -11.346 -27.420 1.00 51.39 O HETATM 2509 O HOH 73 -3.615 1.191 4.791 1.00 32.94 O HETATM 2510 O HOH 74 11.570 0.744 18.301 1.00 29.98 O HETATM 2511 O HOH 75 17.231 4.584 8.916 1.00 35.01 O HETATM 2512 O HOH 76 0.973 -7.060 27.523 1.00 27.42 O HETATM 2513 O HOH 77 32.168 5.311 -20.968 1.00 30.60 O HETATM 2514 O HOH 78 13.351 -1.184 17.427 1.00 39.03 O HETATM 2515 O HOH 79 15.421 6.800 2.999 1.00 42.30 O HETATM 2516 O HOH 80 15.296 -0.579 12.863 1.00 34.53 O HETATM 2517 O HOH 81 28.821 2.058 -8.216 1.00 39.97 O HETATM 2518 O HOH 82 -0.594 -8.225 29.553 1.00 33.95 O HETATM 2519 O HOH 83 11.188 5.223 12.781 1.00 33.53 O HETATM 2520 O HOH 84 32.714 -0.752 -14.517 1.00 34.16 O HETATM 2521 O HOH 85 17.055 7.278 9.317 1.00 48.57 O HETATM 2522 O HOH 86 8.926 -3.808 20.695 1.00 34.34 O HETATM 2523 O HOH 87 16.829 -2.977 8.764 1.00 36.43 O HETATM 2524 O HOH 88 17.367 -1.944 6.262 1.00 35.02 O HETATM 2525 O HOH 89 22.717 0.608 3.307 1.00 50.26 O HETATM 2526 O HOH 90 7.728 -4.855 23.049 1.00 40.44 O HETATM 2527 O HOH 91 7.298 5.221 0.767 1.00 51.37 O HETATM 2528 O HOH 92 28.876 2.336 -10.778 1.00 43.28 O HETATM 2529 O HOH 93 0.582 -8.315 32.024 1.00 42.47 O HETATM 2530 O HOH 94 7.283 -8.075 22.852 1.00 51.01 O HETATM 2531 O HOH 95 31.114 -0.262 -12.109 1.00 46.19 O HETATM 2532 O HOH 96 10.670 3.668 -1.316 1.00 42.06 O HETATM 2533 O HOH 97 -5.765 -10.279 34.344 1.00 41.71 O HETATM 2534 O HOH 98 5.230 -2.422 26.858 1.00 37.79 O HETATM 2535 O HOH 99 -2.799 1.746 35.224 1.00 51.00 O HETATM 2536 O HOH 100 32.257 2.312 -11.168 1.00 66.11 O HETATM 2537 O HOH 101 10.475 -5.187 13.561 1.00 41.47 O HETATM 2538 O HOH 102 21.184 2.751 3.766 1.00 42.69 O HETATM 2539 O HOH 103 13.394 -4.772 14.452 1.00 42.21 O HETATM 2540 O HOH 104 10.408 -7.060 11.502 1.00 50.00 O HETATM 2541 O HOH 105 35.484 0.173 -13.811 1.00 61.67 O HETATM 2542 O HOH 106 -1.334 -6.834 36.284 1.00 47.94 O HETATM 2543 O HOH 107 18.086 7.958 3.031 1.00 56.62 O HETATM 2544 O HOH 108 3.192 -8.631 28.334 1.00 39.89 O HETATM 2545 O HOH 109 1.669 3.070 30.672 1.00 47.39 O HETATM 2546 O HOH 110 17.050 7.252 16.012 1.00 46.73 O HETATM 2547 O HOH 111 16.190 0.496 15.002 1.00 46.24 O HETATM 2548 O HOH 112 14.622 7.824 14.884 1.00 47.19 O HETATM 2549 O HOH 113 13.127 2.437 19.706 1.00 42.18 O HETATM 2550 O HOH 114 9.117 -7.442 19.519 1.00 45.71 O HETATM 2551 O HOH 115 23.250 -0.044 -2.304 1.00 42.73 O HETATM 2552 O HOH 116 21.337 7.016 -1.145 1.00 47.03 O HETATM 2553 O HOH 117 -2.667 -0.865 35.705 1.00 40.36 O HETATM 2554 O HOH 118 15.639 2.230 18.814 1.00 47.47 O HETATM 2555 O HOH 119 25.210 5.137 -4.124 1.00 50.13 O HETATM 2556 O HOH 120 22.755 6.119 -16.999 1.00 48.55 O HETATM 2557 O HOH 121 31.802 5.841 -14.539 1.00 36.13 O HETATM 2558 O HOH 122 13.461 7.099 12.519 1.00 39.30 O HETATM 2559 O HOH 123 -7.902 -10.921 24.283 1.00 32.05 O HETATM 2560 O HOH 124 9.081 -10.638 13.363 1.00 30.86 O HETATM 2561 O HOH 125 9.665 -8.720 16.861 1.00 36.28 O HETATM 2562 O HOH 126 -1.782 -15.707 15.161 1.00 35.08 O HETATM 2563 O HOH 127 2.295 -13.731 26.595 1.00 40.25 O HETATM 2564 O HOH 128 -9.558 -14.044 25.946 1.00 31.85 O HETATM 2565 O HOH 129 -3.213 -12.851 14.514 1.00 37.94 O HETATM 2566 O HOH 130 -4.813 -21.844 23.436 1.00 42.18 O HETATM 2567 O HOH 131 7.560 -11.388 22.303 1.00 34.56 O HETATM 2568 O HOH 132 5.429 -17.354 23.454 1.00 37.90 O HETATM 2569 O HOH 133 -0.640 -10.833 28.512 1.00 35.00 O HETATM 2570 O HOH 134 -6.109 -15.226 29.419 1.00 37.72 O HETATM 2571 O HOH 135 0.697 -15.727 13.787 1.00 42.42 O HETATM 2572 O HOH 136 -11.569 -13.073 21.329 1.00 34.15 O HETATM 2573 O HOH 137 5.976 -15.038 24.899 1.00 40.50 O HETATM 2574 O HOH 138 -2.278 -12.386 30.532 1.00 41.31 O HETATM 2575 O HOH 139 1.460 -15.703 28.104 1.00 43.81 O HETATM 2576 O HOH 140 5.482 -11.865 13.080 1.00 35.04 O HETATM 2577 O HOH 141 3.331 -15.492 14.751 1.00 30.75 O HETATM 2578 O HOH 142 3.536 -18.444 14.217 1.00 38.92 O HETATM 2579 O HOH 143 7.239 -15.343 15.220 1.00 59.30 O HETATM 2580 O HOH 144 -7.603 -16.277 26.982 1.00 35.04 O HETATM 2581 O HOH 145 3.927 -14.248 12.399 1.00 35.63 O HETATM 2582 O HOH 146 8.369 -13.463 24.095 1.00 46.93 O HETATM 2583 O HOH 147 2.112 -20.225 15.573 1.00 47.37 O HETATM 2584 O HOH 148 -9.753 -13.249 16.822 1.00 43.09 O HETATM 2585 O HOH 149 11.403 -12.325 17.366 1.00 62.45 O HETATM 2586 O HOH 150 1.872 -11.635 28.584 1.00 40.76 O HETATM 2587 O HOH 151 10.197 -12.630 14.773 1.00 64.57 O HETATM 2588 O HOH 152 -4.169 -11.808 11.846 1.00 49.15 O HETATM 2589 O HOH 153 -2.703 -2.175 3.570 1.00 31.47 O HETATM 2590 O HOH 154 -15.411 -1.608 16.342 1.00 32.68 O HETATM 2591 O HOH 155 -7.401 3.658 4.671 1.00 33.97 O HETATM 2592 O HOH 156 -15.471 -1.515 11.985 1.00 32.26 O HETATM 2593 O HOH 157 -10.123 -4.885 8.012 1.00 34.94 O HETATM 2594 O HOH 158 -4.229 -5.247 5.724 1.00 32.48 O HETATM 2595 O HOH 159 -15.174 4.097 8.828 1.00 47.34 O HETATM 2596 O HOH 160 -18.339 -1.904 11.539 1.00 44.52 O HETATM 2597 O HOH 161 -6.308 7.421 10.615 1.00 41.45 O HETATM 2598 O HOH 162 -15.822 -3.272 14.102 1.00 46.14 O HETATM 2599 O HOH 163 -9.203 -6.623 10.394 1.00 50.68 O HETATM 2600 O HOH 164 -7.084 6.164 5.756 1.00 42.61 O HETATM 2601 O HOH 165 -9.911 -2.266 2.032 1.00 46.89 O HETATM 2602 O HOH 166 -4.788 3.772 3.967 1.00 37.41 O HETATM 2603 O HOH 167 -8.295 7.172 7.962 1.00 41.42 O HETATM 2604 O HOH 168 9.932 1.410 23.144 1.00 36.19 O HETATM 2605 O HOH 169 9.386 6.909 12.099 1.00 35.43 O HETATM 2606 O HOH 170 8.300 9.511 25.871 1.00 43.22 O HETATM 2607 O HOH 171 10.485 12.963 22.703 1.00 45.57 O HETATM 2608 O HOH 172 5.622 8.514 12.222 1.00 39.37 O HETATM 2609 O HOH 173 2.614 12.461 24.035 1.00 34.88 O HETATM 2610 O HOH 174 3.453 11.387 17.057 1.00 40.32 O HETATM 2611 O HOH 175 12.009 7.129 18.897 1.00 36.57 O HETATM 2612 O HOH 176 10.555 5.659 15.277 1.00 36.60 O HETATM 2613 O HOH 177 12.329 4.808 20.798 1.00 39.65 O HETATM 2614 O HOH 178 10.329 0.087 20.773 1.00 46.25 O HETATM 2615 O HOH 179 4.595 14.581 19.771 1.00 44.66 O HETATM 2616 O HOH 180 11.582 4.153 23.200 1.00 40.91 O HETATM 2617 O HOH 181 7.973 7.070 33.546 1.00 60.08 O HETATM 2618 O HOH 182 7.762 -0.815 30.410 1.00 57.91 O HETATM 2619 O HOH 183 0.670 10.848 16.695 1.00 64.28 O HETATM 2620 O HOH 184 10.724 -2.253 21.847 1.00 60.01 O HETATM 2621 O HOH 185 10.110 11.467 25.027 1.00 43.98 O HETATM 2622 O HOH 186 13.273 10.221 19.383 1.00 54.92 O HETATM 2623 N DLY A 187 -8.852 -17.479 16.379 1.00 0.24 N HETATM 2624 CA DLY A 187 -8.862 -16.606 15.187 1.00 0.07 C HETATM 2625 C DLY A 187 -7.654 -15.648 15.062 1.00 0.23 C HETATM 2626 O DLY A 187 -7.676 -14.717 14.248 1.00 -0.39 O HETATM 2627 N DLY A 187 -6.620 -15.862 15.878 1.00 -0.26 N HETATM 2628 CA DLY A 187 -5.436 -14.994 15.882 1.00 0.12 C HETATM 2629 C DLY A 187 -4.688 -14.980 17.205 1.00 0.20 C HETATM 2630 O DLY A 187 -4.955 -15.790 18.094 1.00 -0.39 O HETATM 2631 N DLY A 187 -3.746 -14.050 17.325 1.00 -0.26 N HETATM 2632 CA DLY A 187 -2.895 -13.875 18.514 1.00 0.13 C HETATM 2633 CB DLY A 187 -1.771 -12.884 18.214 1.00 -0.02 C HETATM 2634 H21 DLY A 187 -1.142 -12.761 19.108 1.00 0.03 H HETATM 2635 H22 DLY A 187 -2.204 -11.912 17.934 1.00 0.03 H HETATM 2636 H23 DLY A 187 -1.158 -13.265 17.384 1.00 0.03 H HETATM 2637 C DLY A 187 -2.314 -15.163 19.059 1.00 0.20 C HETATM 2638 O DLY A 187 -2.256 -15.374 20.289 1.00 -0.39 O HETATM 2639 N DLY A 187 -1.913 -16.038 18.143 1.00 -0.26 N HETATM 2640 CA DLY A 187 -1.266 -17.295 18.508 1.00 0.14 C HETATM 2641 C DLY A 187 -2.179 -18.240 19.269 1.00 0.20 C HETATM 2642 O DLY A 187 -1.698 -19.141 19.942 1.00 -0.39 O HETATM 2643 N DLY A 187 -3.490 -18.013 19.178 1.00 -0.26 N HETATM 2644 CA DLY A 187 -4.467 -18.893 19.818 1.00 0.14 C HETATM 2645 C DLY A 187 -4.677 -18.519 21.279 1.00 0.21 C HETATM 2646 O DLY A 187 -5.286 -19.288 22.040 1.00 -0.39 O HETATM 2647 N DLY A 187 -4.209 -17.340 21.681 1.00 -0.26 N HETATM 2648 CA DLY A 187 -4.534 -16.803 23.036 1.00 0.14 C HETATM 2649 C DLY A 187 -3.347 -16.817 23.990 1.00 0.21 C HETATM 2650 O DLY A 187 -2.276 -16.315 23.651 1.00 -0.39 O HETATM 2651 N DLY A 187 -3.538 -17.371 25.205 1.00 -0.25 N HETATM 2652 CA DLY A 187 -2.453 -17.345 26.198 1.00 0.13 C HETATM 2653 CB DLY A 187 -3.101 -17.926 27.448 1.00 -0.01 C HETATM 2654 CG DLY A 187 -4.583 -17.891 27.177 1.00 -0.03 C HETATM 2655 CD DLY A 187 -4.747 -18.038 25.725 1.00 0.04 C HETATM 2656 H46 DLY A 187 -4.775 -19.098 25.432 1.00 0.05 H HETATM 2657 H47 DLY A 187 -5.661 -17.537 25.374 1.00 0.05 H HETATM 2658 H44 DLY A 187 -5.008 -16.933 27.512 1.00 0.03 H HETATM 2659 H45 DLY A 187 -5.085 -18.718 27.701 1.00 0.03 H HETATM 2660 H42 DLY A 187 -2.856 -17.315 28.329 1.00 0.03 H HETATM 2661 H43 DLY A 187 -2.763 -18.960 27.613 1.00 0.03 H HETATM 2662 C DLY A 187 -1.916 -15.927 26.468 1.00 0.20 C HETATM 2663 O DLY A 187 -0.690 -15.730 26.509 1.00 -0.39 O HETATM 2664 N DLY A 187 -2.811 -14.948 26.581 1.00 -0.26 N HETATM 2665 CA DLY A 187 -2.423 -13.569 26.927 1.00 0.13 C HETATM 2666 C DLY A 187 -1.765 -12.805 25.777 1.00 0.20 C HETATM 2667 O DLY A 187 -1.343 -11.648 25.963 1.00 -0.39 O HETATM 2668 N DLY A 187 -1.691 -13.438 24.603 1.00 -0.26 N HETATM 2669 CA DLY A 187 -1.157 -12.775 23.383 1.00 0.14 C HETATM 2670 CB DLY A 187 -2.243 -12.649 22.309 1.00 0.00 C HETATM 2671 CG DLY A 187 -3.298 -11.604 22.602 1.00 -0.04 C HETATM 2672 CD1 DLY A 187 -4.576 -11.830 23.021 1.00 0.02 C HETATM 2673 NE1 DLY A 187 -5.249 -10.640 23.192 1.00 -0.29 N HETATM 2674 CE2 DLY A 187 -4.412 -9.610 22.845 1.00 0.06 C HETATM 2675 CZ2 DLY A 187 -4.632 -8.235 22.848 1.00 -0.04 C HETATM 2676 CH2 DLY A 187 -3.595 -7.412 22.438 1.00 -0.08 C HETATM 2677 CZ3 DLY A 187 -2.354 -7.948 22.057 1.00 -0.08 C HETATM 2678 CE3 DLY A 187 -2.134 -9.333 22.075 1.00 -0.07 C HETATM 2679 CD2 DLY A 187 -3.166 -10.181 22.478 1.00 -0.02 C HETATM 2680 H63 DLY A 187 -1.174 -9.740 21.779 1.00 0.05 H HETATM 2681 H62 DLY A 187 -1.557 -7.283 21.745 1.00 0.05 H HETATM 2682 H61 DLY A 187 -3.744 -6.339 22.411 1.00 0.05 H HETATM 2683 H60 DLY A 187 -5.584 -7.822 23.161 1.00 0.05 H HETATM 2684 H59 DLY A 187 -6.219 -10.540 23.525 1.00 0.22 H HETATM 2685 H58 DLY A 187 -5.005 -12.815 23.196 1.00 0.08 H HETATM 2686 H56 DLY A 187 -2.743 -13.624 22.210 1.00 0.04 H HETATM 2687 H57 DLY A 187 -1.756 -12.388 21.358 1.00 0.04 H HETATM 2688 C DLY A 187 0.049 -13.525 22.811 1.00 0.21 C HETATM 2689 O DLY A 187 0.548 -13.191 21.697 1.00 -0.39 O HETATM 2690 N DLY A 187 0.525 -14.515 23.572 1.00 -0.26 N HETATM 2691 CA DLY A 187 1.738 -15.282 23.177 1.00 0.13 C HETATM 2692 C DLY A 187 2.945 -14.384 22.892 1.00 0.20 C HETATM 2693 O DLY A 187 3.662 -14.616 21.899 1.00 -0.39 O HETATM 2694 N DLY A 187 3.165 -13.353 23.717 1.00 -0.26 N HETATM 2695 CA DLY A 187 4.271 -12.400 23.445 1.00 0.14 C HETATM 2696 CB DLY A 187 4.329 -11.280 24.477 1.00 0.00 C HETATM 2697 CG DLY A 187 3.085 -10.431 24.485 1.00 -0.04 C HETATM 2698 CD1 DLY A 187 1.941 -10.635 25.218 1.00 0.02 C HETATM 2699 NE1 DLY A 187 1.023 -9.646 24.939 1.00 -0.29 N HETATM 2700 CE2 DLY A 187 1.555 -8.784 24.015 1.00 0.06 C HETATM 2701 CZ2 DLY A 187 1.008 -7.646 23.428 1.00 -0.04 C HETATM 2702 CH2 DLY A 187 1.787 -6.955 22.525 1.00 -0.08 C HETATM 2703 CZ3 DLY A 187 3.103 -7.401 22.179 1.00 -0.08 C HETATM 2704 CE3 DLY A 187 3.642 -8.536 22.759 1.00 -0.07 C HETATM 2705 CD2 DLY A 187 2.860 -9.252 23.699 1.00 -0.02 C HETATM 2706 H81 DLY A 187 4.640 -8.870 22.500 1.00 0.05 H HETATM 2707 H80 DLY A 187 3.684 -6.843 21.454 1.00 0.05 H HETATM 2708 H79 DLY A 187 1.395 -6.054 22.067 1.00 0.05 H HETATM 2709 H78 DLY A 187 0.005 -7.315 23.672 1.00 0.05 H HETATM 2710 H77 DLY A 187 0.086 -9.567 25.358 1.00 0.22 H HETATM 2711 H76 DLY A 187 1.783 -11.456 25.916 1.00 0.08 H HETATM 2712 H74 DLY A 187 5.192 -10.637 24.250 1.00 0.04 H HETATM 2713 H75 DLY A 187 4.456 -11.727 25.474 1.00 0.04 H HETATM 2714 C DLY A 187 4.190 -11.779 22.042 1.00 0.21 C HETATM 2715 O DLY A 187 5.212 -11.602 21.374 1.00 -0.39 O HETATM 2716 N DLY A 187 2.979 -11.468 21.586 1.00 -0.26 N HETATM 2717 CA DLY A 187 2.783 -10.871 20.262 1.00 0.13 C HETATM 2718 CB DLY A 187 1.383 -10.270 20.159 1.00 -0.01 C HETATM 2719 CG DLY A 187 1.104 -9.508 18.855 1.00 -0.04 C HETATM 2720 CD1 DLY A 187 2.128 -8.371 18.567 1.00 -0.06 C HETATM 2721 H87 DLY A 187 1.866 -7.872 17.622 1.00 0.02 H HETATM 2722 H88 DLY A 187 3.138 -8.799 18.488 1.00 0.02 H HETATM 2723 H89 DLY A 187 2.103 -7.639 19.387 1.00 0.02 H HETATM 2724 CD2 DLY A 187 -0.322 -8.942 18.910 1.00 -0.06 C HETATM 2725 H90 DLY A 187 -1.032 -9.757 19.114 1.00 0.02 H HETATM 2726 H91 DLY A 187 -0.568 -8.474 17.945 1.00 0.02 H HETATM 2727 H92 DLY A 187 -0.387 -8.190 19.710 1.00 0.02 H HETATM 2728 H86 DLY A 187 1.163 -10.227 18.024 1.00 0.03 H HETATM 2729 H84 DLY A 187 1.247 -9.572 20.999 1.00 0.03 H HETATM 2730 H85 DLY A 187 0.652 -11.088 20.240 1.00 0.03 H HETATM 2731 C DLY A 187 2.988 -11.908 19.160 1.00 0.20 C HETATM 2732 O DLY A 187 3.693 -11.649 18.180 1.00 -0.39 O HETATM 2733 N DLY A 187 2.360 -13.070 19.315 1.00 -0.26 N HETATM 2734 CA DLY A 187 2.622 -14.231 18.459 1.00 0.14 C HETATM 2735 C DLY A 187 4.140 -14.416 18.249 1.00 0.20 C HETATM 2736 O DLY A 187 4.632 -14.524 17.100 1.00 -0.39 O HETATM 2737 N DLY A 187 4.878 -14.425 19.363 1.00 -0.26 N HETATM 2738 CA DLY A 187 6.342 -14.591 19.337 1.00 0.13 C HETATM 2739 CB DLY A 187 6.875 -14.730 20.763 1.00 -0.02 C HETATM 2740 H99 DLY A 187 7.968 -14.854 20.736 1.00 0.03 H HETATM 2741 H100 DLY A 187 6.419 -15.609 21.241 1.00 0.03 H HETATM 2742 H101 DLY A 187 6.622 -13.827 21.338 1.00 0.03 H HETATM 2743 C DLY A 187 7.098 -13.484 18.590 1.00 0.20 C HETATM 2744 O DLY A 187 8.109 -13.769 17.936 1.00 -0.39 O HETATM 2745 N DLY A 187 6.629 -12.240 18.715 1.00 -0.26 N HETATM 2746 CA DLY A 187 7.235 -11.064 18.065 1.00 0.14 C HETATM 2747 CB DLY A 187 6.615 -9.800 18.620 1.00 -0.02 C HETATM 2748 H104 DLY A 187 7.069 -8.925 18.133 1.00 0.03 H HETATM 2749 H105 DLY A 187 6.793 -9.750 19.704 1.00 0.03 H HETATM 2750 H106 DLY A 187 5.532 -9.807 18.426 1.00 0.03 H HETATM 2751 C DLY A 187 7.078 -11.104 16.546 1.00 0.26 C HETATM 2752 O DLY A 187 7.895 -10.527 15.792 1.00 -0.37 O HETATM 2753 O DLY A 187 6.054 -11.764 16.014 1.00 -0.29 O HETATM 2754 H107 DLY A 187 5.528 -12.145 16.708 1.00 0.25 H HETATM 2755 H103 DLY A 187 8.310 -11.059 18.298 1.00 0.08 H HETATM 2756 H102 DLY A 187 5.819 -12.098 19.283 1.00 0.19 H HETATM 2757 H98 DLY A 187 6.549 -15.533 18.807 1.00 0.08 H HETATM 2758 H97 DLY A 187 4.421 -14.315 20.245 1.00 0.19 H HETATM 2759 CB DLY A 187 2.026 -15.462 19.143 1.00 0.04 C HETATM 2760 SG DLY A 187 2.225 -16.973 18.223 1.00 -0.09 S HETATM 2761 SG DLY A 187 0.822 -17.147 16.770 1.00 -0.09 S HETATM 2762 CB DLY A 187 -0.697 -17.976 17.267 1.00 0.04 C HETATM 2763 H26 DLY A 187 -1.430 -17.919 16.449 1.00 0.04 H HETATM 2764 H27 DLY A 187 -0.482 -19.031 17.494 1.00 0.04 H HETATM 2765 H95 DLY A 187 0.950 -15.287 19.292 1.00 0.04 H HETATM 2766 H96 DLY A 187 2.516 -15.585 20.120 1.00 0.04 H HETATM 2767 H94 DLY A 187 2.140 -14.083 17.481 1.00 0.08 H HETATM 2768 H93 DLY A 187 1.682 -13.155 20.045 1.00 0.19 H HETATM 2769 H83 DLY A 187 3.522 -10.068 20.128 1.00 0.08 H HETATM 2770 H82 DLY A 187 2.181 -11.646 22.162 1.00 0.19 H HETATM 2771 H73 DLY A 187 5.211 -12.967 23.508 1.00 0.08 H HETATM 2772 H72 DLY A 187 2.582 -13.224 24.520 1.00 0.19 H HETATM 2773 CB DLY A 187 2.081 -16.393 24.189 1.00 0.00 C HETATM 2774 CG DLY A 187 1.022 -17.502 24.281 1.00 0.04 C HETATM 2775 CD DLY A 187 0.776 -18.200 22.941 1.00 0.17 C HETATM 2776 OE1 DLY A 187 1.588 -19.003 22.485 1.00 -0.40 O HETATM 2777 NE2 DLY A 187 -0.345 -17.881 22.306 1.00 -0.30 N HETATM 2778 H70 DLY A 187 -0.559 -18.305 21.426 1.00 0.18 H HETATM 2779 H71 DLY A 187 -0.975 -17.216 22.707 1.00 0.18 H HETATM 2780 H68 DLY A 187 0.076 -17.057 24.624 1.00 0.05 H HETATM 2781 H69 DLY A 187 1.361 -18.252 25.011 1.00 0.05 H HETATM 2782 H66 DLY A 187 2.189 -15.934 25.183 1.00 0.03 H HETATM 2783 H67 DLY A 187 3.036 -16.850 23.890 1.00 0.03 H HETATM 2784 H65 DLY A 187 1.492 -15.784 22.230 1.00 0.08 H HETATM 2785 H64 DLY A 187 0.056 -14.745 24.425 1.00 0.19 H HETATM 2786 H55 DLY A 187 -0.829 -11.763 23.664 1.00 0.08 H HETATM 2787 H54 DLY A 187 -2.004 -14.386 24.542 1.00 0.19 H HETATM 2788 CB DLY A 187 -3.632 -12.779 27.468 1.00 -0.00 C HETATM 2789 CG DLY A 187 -4.714 -12.488 26.412 1.00 0.00 C HETATM 2790 CD DLY A 187 -5.802 -13.565 26.287 1.00 0.04 C HETATM 2791 OE1 DLY A 187 -5.550 -14.772 26.556 1.00 -0.57 O HETATM 2792 OE2 DLY A 187 -6.944 -13.174 25.931 1.00 -0.57 O HETATM 2793 H52 DLY A 187 -4.219 -12.387 25.435 1.00 0.04 H HETATM 2794 H53 DLY A 187 -5.202 -11.538 26.676 1.00 0.04 H HETATM 2795 H50 DLY A 187 -3.269 -11.819 27.864 1.00 0.03 H HETATM 2796 H51 DLY A 187 -4.090 -13.362 28.281 1.00 0.03 H HETATM 2797 H49 DLY A 187 -1.680 -13.638 27.735 1.00 0.08 H HETATM 2798 H48 DLY A 187 -3.777 -15.155 26.426 1.00 0.19 H HETATM 2799 H41 DLY A 187 -1.619 -17.980 25.864 1.00 0.08 H HETATM 2800 CB DLY A 187 -5.048 -15.367 22.927 1.00 0.02 C HETATM 2801 CG DLY A 187 -6.371 -15.265 22.240 1.00 -0.05 C HETATM 2802 CD1 DLY A 187 -7.548 -15.182 22.985 1.00 -0.07 C HETATM 2803 CE1 DLY A 187 -8.781 -15.110 22.360 1.00 -0.04 C HETATM 2804 CZ DLY A 187 -8.846 -15.119 20.977 1.00 0.08 C HETATM 2805 CE2 DLY A 187 -7.690 -15.218 20.212 1.00 -0.04 C HETATM 2806 CD2 DLY A 187 -6.461 -15.294 20.847 1.00 -0.07 C HETATM 2807 H37 DLY A 187 -5.557 -15.377 20.254 1.00 0.05 H HETATM 2808 H39 DLY A 187 -7.749 -15.236 19.130 1.00 0.05 H HETATM 2809 OH DLY A 187 -10.069 -15.057 20.354 1.00 -0.34 O HETATM 2810 H40 DLY A 187 -10.754 -14.992 21.009 1.00 0.25 H HETATM 2811 H38 DLY A 187 -9.689 -15.047 22.949 1.00 0.05 H HETATM 2812 H36 DLY A 187 -7.496 -15.174 24.068 1.00 0.05 H HETATM 2813 H34 DLY A 187 -4.314 -14.775 22.361 1.00 0.05 H HETATM 2814 H35 DLY A 187 -5.148 -14.954 23.942 1.00 0.05 H HETATM 2815 H33 DLY A 187 -5.327 -17.432 23.466 1.00 0.08 H HETATM 2816 H32 DLY A 187 -3.630 -16.805 21.066 1.00 0.19 H HETATM 2817 CB DLY A 187 -5.803 -18.829 19.067 1.00 0.04 C HETATM 2818 CG DLY A 187 -5.689 -19.305 17.621 1.00 0.04 C HETATM 2819 OD1 DLY A 187 -5.949 -18.515 16.690 1.00 -0.57 O HETATM 2820 OD2 DLY A 187 -5.332 -20.474 17.417 1.00 -0.57 O HETATM 2821 H30 DLY A 187 -6.158 -17.788 19.068 1.00 0.05 H HETATM 2822 H31 DLY A 187 -6.532 -19.465 19.590 1.00 0.05 H HETATM 2823 H29 DLY A 187 -4.087 -19.924 19.774 1.00 0.08 H HETATM 2824 H28 DLY A 187 -3.813 -17.221 18.659 1.00 0.19 H HETATM 2825 H25 DLY A 187 -0.425 -17.049 19.173 1.00 0.08 H HETATM 2826 H24 DLY A 187 -2.058 -15.830 17.176 1.00 0.19 H HETATM 2827 H20 DLY A 187 -3.527 -13.444 19.304 1.00 0.08 H HETATM 2828 H19 DLY A 187 -3.606 -13.427 16.556 1.00 0.19 H HETATM 2829 H17 DLY A 187 -5.758 -13.967 15.655 1.00 0.08 H HETATM 2830 H18 DLY A 187 -4.747 -15.343 15.098 1.00 0.08 H HETATM 2831 H16 DLY A 187 -6.653 -16.639 16.507 1.00 0.19 H HETATM 2832 CB DLY A 187 -9.082 -17.447 13.915 1.00 0.01 C HETATM 2833 CG DLY A 187 -8.040 -17.316 12.800 1.00 -0.04 C HETATM 2834 CD DLY A 187 -7.540 -18.682 12.323 1.00 -0.01 C HETATM 2835 CE DLY A 187 -8.462 -19.290 11.258 1.00 -0.04 C HETATM 2836 NZ DLY A 187 -9.781 -19.730 11.823 1.00 0.22 N HETATM 2837 H13 DLY A 187 -10.348 -20.121 11.087 1.00 0.20 H HETATM 2838 H14 DLY A 187 -10.255 -18.937 12.227 1.00 0.20 H HETATM 2839 H15 DLY A 187 -9.626 -20.427 12.534 1.00 0.20 H HETATM 2840 H11 DLY A 187 -7.960 -20.162 10.813 1.00 0.08 H HETATM 2841 H12 DLY A 187 -8.646 -18.536 10.479 1.00 0.08 H HETATM 2842 H9 DLY A 187 -7.494 -19.364 13.185 1.00 0.03 H HETATM 2843 H10 DLY A 187 -6.534 -18.563 11.896 1.00 0.03 H HETATM 2844 H7 DLY A 187 -7.185 -16.737 13.178 1.00 0.03 H HETATM 2845 H8 DLY A 187 -8.494 -16.787 11.949 1.00 0.03 H HETATM 2846 H5 DLY A 187 -10.056 -17.160 13.493 1.00 0.03 H HETATM 2847 H6 DLY A 187 -9.111 -18.504 14.218 1.00 0.03 H HETATM 2848 H4 DLY A 187 -9.745 -15.958 15.292 1.00 0.11 H HETATM 2849 H1 DLY A 187 -9.673 -18.064 16.374 1.00 0.20 H HETATM 2850 H2 DLY A 187 -8.849 -16.911 17.212 1.00 0.20 H HETATM 2851 H3 DLY A 187 -8.027 -18.058 16.364 1.00 0.20 H CONECT 1 2 4 5 6 CONECT 2 1 3 7 CONECT 4 1 CONECT 5 1 CONECT 6 1 CONECT 7 2 8 30 CONECT 813 814 816 817 818 CONECT 814 813 815 819 CONECT 816 813 CONECT 817 813 CONECT 818 813 CONECT 819 814 820 842 CONECT 1625 1626 1628 1629 1630 CONECT 1626 1625 1627 1631 CONECT 1628 1625 CONECT 1629 1625 CONECT 1630 1625 CONECT 1631 1626 1632 1654 CONECT 2623 2624 2849 2850 2851 CONECT 2624 2623 2625 2832 2848 CONECT 2625 2624 2626 2627 CONECT 2626 2625 CONECT 2627 2625 2628 2831 CONECT 2628 2627 2629 2829 2830 CONECT 2629 2628 2630 2631 CONECT 2630 2629 CONECT 2631 2629 2632 2828 CONECT 2632 2631 2633 2637 2827 CONECT 2633 2632 2634 2635 2636 CONECT 2634 2633 CONECT 2635 2633 CONECT 2636 2633 CONECT 2637 2632 2638 2639 CONECT 2638 2637 CONECT 2639 2637 2640 2826 CONECT 2640 2639 2641 2762 2825 CONECT 2641 2640 2642 2643 CONECT 2642 2641 CONECT 2643 2641 2644 2824 CONECT 2644 2643 2645 2817 2823 CONECT 2645 2644 2646 2647 CONECT 2646 2645 CONECT 2647 2645 2648 2816 CONECT 2648 2647 2649 2800 2815 CONECT 2649 2648 2650 2651 CONECT 2650 2649 CONECT 2651 2649 2652 2655 CONECT 2652 2651 2653 2662 2799 CONECT 2653 2652 2654 2660 2661 CONECT 2654 2653 2655 2658 2659 CONECT 2655 2651 2654 2656 2657 CONECT 2656 2655 CONECT 2657 2655 CONECT 2658 2654 CONECT 2659 2654 CONECT 2660 2653 CONECT 2661 2653 CONECT 2662 2652 2663 2664 CONECT 2663 2662 CONECT 2664 2662 2665 2798 CONECT 2665 2664 2666 2788 2797 CONECT 2666 2665 2667 2668 CONECT 2667 2666 CONECT 2668 2666 2669 2787 CONECT 2669 2668 2670 2688 2786 CONECT 2670 2669 2671 2686 2687 CONECT 2671 2670 2672 2679 CONECT 2672 2671 2673 2685 CONECT 2673 2672 2674 2684 CONECT 2674 2673 2675 2679 CONECT 2675 2674 2676 2683 CONECT 2676 2675 2677 2682 CONECT 2677 2676 2678 2681 CONECT 2678 2677 2679 2680 CONECT 2679 2671 2674 2678 CONECT 2680 2678 CONECT 2681 2677 CONECT 2682 2676 CONECT 2683 2675 CONECT 2684 2673 CONECT 2685 2672 CONECT 2686 2670 CONECT 2687 2670 CONECT 2688 2669 2689 2690 CONECT 2689 2688 CONECT 2690 2688 2691 2785 CONECT 2691 2690 2692 2773 2784 CONECT 2692 2691 2693 2694 CONECT 2693 2692 CONECT 2694 2692 2695 2772 CONECT 2695 2694 2696 2714 2771 CONECT 2696 2695 2697 2712 2713 CONECT 2697 2696 2698 2705 CONECT 2698 2697 2699 2711 CONECT 2699 2698 2700 2710 CONECT 2700 2699 2701 2705 CONECT 2701 2700 2702 2709 CONECT 2702 2701 2703 2708 CONECT 2703 2702 2704 2707 CONECT 2704 2703 2705 2706 CONECT 2705 2697 2700 2704 CONECT 2706 2704 CONECT 2707 2703 CONECT 2708 2702 CONECT 2709 2701 CONECT 2710 2699 CONECT 2711 2698 CONECT 2712 2696 CONECT 2713 2696 CONECT 2714 2695 2715 2716 CONECT 2715 2714 CONECT 2716 2714 2717 2770 CONECT 2717 2716 2718 2731 2769 CONECT 2718 2717 2719 2729 2730 CONECT 2719 2718 2720 2724 2728 CONECT 2720 2719 2721 2722 2723 CONECT 2721 2720 CONECT 2722 2720 CONECT 2723 2720 CONECT 2724 2719 2725 2726 2727 CONECT 2725 2724 CONECT 2726 2724 CONECT 2727 2724 CONECT 2728 2719 CONECT 2729 2718 CONECT 2730 2718 CONECT 2731 2717 2732 2733 CONECT 2732 2731 CONECT 2733 2731 2734 2768 CONECT 2734 2733 2735 2759 2767 CONECT 2735 2734 2736 2737 CONECT 2736 2735 CONECT 2737 2735 2738 2758 CONECT 2738 2737 2739 2743 2757 CONECT 2739 2738 2740 2741 2742 CONECT 2740 2739 CONECT 2741 2739 CONECT 2742 2739 CONECT 2743 2738 2744 2745 CONECT 2744 2743 CONECT 2745 2743 2746 2756 CONECT 2746 2745 2747 2751 2755 CONECT 2747 2746 2748 2749 2750 CONECT 2748 2747 CONECT 2749 2747 CONECT 2750 2747 CONECT 2751 2746 2752 2753 CONECT 2752 2751 CONECT 2753 2751 2754 CONECT 2754 2753 CONECT 2755 2746 CONECT 2756 2745 CONECT 2757 2738 CONECT 2758 2737 CONECT 2759 2734 2760 2765 2766 CONECT 2760 2759 2761 CONECT 2761 2760 2762 CONECT 2762 2640 2761 2763 2764 CONECT 2763 2762 CONECT 2764 2762 CONECT 2765 2759 CONECT 2766 2759 CONECT 2767 2734 CONECT 2768 2733 CONECT 2769 2717 CONECT 2770 2716 CONECT 2771 2695 CONECT 2772 2694 CONECT 2773 2691 2774 2782 2783 CONECT 2774 2773 2775 2780 2781 CONECT 2775 2774 2776 2777 CONECT 2776 2775 CONECT 2777 2775 2778 2779 CONECT 2778 2777 CONECT 2779 2777 CONECT 2780 2774 CONECT 2781 2774 CONECT 2782 2773 CONECT 2783 2773 CONECT 2784 2691 CONECT 2785 2690 CONECT 2786 2669 CONECT 2787 2668 CONECT 2788 2665 2789 2795 2796 CONECT 2789 2788 2790 2793 2794 CONECT 2790 2789 2791 2792 CONECT 2791 2790 CONECT 2792 2790 CONECT 2793 2789 CONECT 2794 2789 CONECT 2795 2788 CONECT 2796 2788 CONECT 2797 2665 CONECT 2798 2664 CONECT 2799 2652 CONECT 2800 2648 2801 2813 2814 CONECT 2801 2800 2802 2806 CONECT 2802 2801 2803 2812 CONECT 2803 2802 2804 2811 CONECT 2804 2803 2805 2809 CONECT 2805 2804 2806 2808 CONECT 2806 2801 2805 2807 CONECT 2807 2806 CONECT 2808 2805 CONECT 2809 2804 2810 CONECT 2810 2809 CONECT 2811 2803 CONECT 2812 2802 CONECT 2813 2800 CONECT 2814 2800 CONECT 2815 2648 CONECT 2816 2647 CONECT 2817 2644 2818 2821 2822 CONECT 2818 2817 2819 2820 CONECT 2819 2818 CONECT 2820 2818 CONECT 2821 2817 CONECT 2822 2817 CONECT 2823 2644 CONECT 2824 2643 CONECT 2825 2640 CONECT 2826 2639 CONECT 2827 2632 CONECT 2828 2631 CONECT 2829 2628 CONECT 2830 2628 CONECT 2831 2627 CONECT 2832 2624 2833 2846 2847 CONECT 2833 2832 2834 2844 2845 CONECT 2834 2833 2835 2842 2843 CONECT 2835 2834 2836 2840 2841 CONECT 2836 2835 2837 2838 2839 CONECT 2837 2836 CONECT 2838 2836 CONECT 2839 2836 CONECT 2840 2835 CONECT 2841 2835 CONECT 2842 2834 CONECT 2843 2834 CONECT 2844 2833 CONECT 2845 2833 CONECT 2846 2832 CONECT 2847 2832 CONECT 2848 2624 CONECT 2849 2623 CONECT 2850 2623 CONECT 2851 2623 MASTER 0 0 0 0 0 0 0 0 2848 3 247 12 END
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Entry Information
PDB ID
2r5d
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
gp41 N-peptide
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.66(Å)
Affinity (Kd/Ki/IC50)
Kd=0.07nM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Proc.Natl.Acad.Sci.Usa Vol. 104: pp. 16828-16833
Ligand Properties
Formula
C
7
9
H
1
0
9
N
1
9
O
2
2
S
2
Molecular Weight
1740.950
Exact Mass
1739.740
No. of atoms
231
No. of bonds
237
Polar Surface Area
711.29
LOGP Value
-3.10 (
Computed with XLOGP3
)
0.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 41
No. of Rings: 7
Canonical SMILES
[NH3+]CCCC[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]2N(C(=O)[C@H](NC(=O)[C@H](NC1=O)CC(=O)O)Cc1ccc(cc1)O)CCC2)CCC(=O)O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C)C)C)[NH3+]
InChI String
InChI=1S/C79H107N19O22S2/c1-39(2)29-54-71(111)97-59(75(115)87-41(4)66(106)88-42(5)79(119)120)37-121-122-38-60(96-67(107)40(3)86-63(101)36-85-68(108)49(81)15-10-11-27-80)76(116)94-57(33-65(104)105)74(114)95-58(30-43-19-21-46(99)22-20-43)78(118)98-28-12-18-61(98)77(117)90-53(24-26-64(102)103)70(110)92-55(31-44-34-83-50-16-8-6-13-47(44)50)72(112)89-52(23-25-62(82)100)69(109)93-56(73(113)91-54)32-45-35-84-51-17-9-7-14-48(45)51/h6-9,13-14,16-17,19-22,34-35,39-42,49,52-61,83-84,99H,10-12,15,18,23-33,36-38,80-81H2,1-5H3,(H2,82,100)(H,85,108)(H,86,101)(H,87,115)(H,88,106)(H,89,112)(H,90,117)(H,91,113)(H,92,110)(H,93,109)(H,94,116)(H,95,114)(H,96,107)(H,97,111)(H,102,103)(H,104,105)(H,119,120)/p+2/t40-,41-,42-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m1/s1
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No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
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