Browse entries in the PDBbind-CN Database
HEADER 1WS1_COMPLEX COMPND 1WS1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 151 MET ALA VAL LEU GLU ILE ILE LYS HIS PRO ASN GLU VAL SEQRES 2 A 151 LEU GLU THR PRO CYS GLU ARG VAL ILE ASN PHE ASP LYS SEQRES 3 A 151 LYS LEU VAL LYS LEU LEU LYS ASP MET HIS GLU THR MET SEQRES 4 A 151 LEU ILE ALA ASP GLY VAL GLY LEU ALA ALA PRO GLN VAL SEQRES 5 A 151 GLY VAL SER LEU GLN VAL ALA VAL VAL ASP VAL ASP ASP SEQRES 6 A 151 ASP THR GLY LYS ILE GLU LEU ILE ASN PRO SER ILE LEU SEQRES 7 A 151 GLU LYS ARG GLY GLU GLN VAL GLY PRO GLU GLY CYS LEU SEQRES 8 A 151 SER PHE PRO GLY LEU TYR GLY GLU VAL GLU ARG ALA ASP SEQRES 9 A 151 TYR ILE LYS VAL ARG ALA GLN ASN ARG ARG GLY LYS VAL SEQRES 10 A 151 PHE LEU LEU GLU ALA GLU GLY PHE LEU ALA ARG ALA ILE SEQRES 11 A 151 GLN HIS GLU ILE ASP HIS LEU HIS GLY VAL LEU PHE THR SEQRES 12 A 151 SER LYS VAL THR ARG TYR TYR GLU HET NI A 1 1 HET BB A 2 60 ATOM 1 N MET A 1 12.508 42.974 66.318 1.00 42.73 N ATOM 2 CA MET A 1 11.468 43.357 65.293 1.00 41.40 C ATOM 3 C MET A 1 11.696 44.729 64.634 1.00 40.09 C ATOM 4 O MET A 1 12.364 45.614 65.175 1.00 38.79 O ATOM 5 CB MET A 1 10.041 43.310 65.908 1.00 40.23 C ATOM 6 CG MET A 1 9.651 44.494 66.811 1.00 34.94 C ATOM 7 SD MET A 1 9.279 46.144 66.009 1.00 37.95 S ATOM 8 CE MET A 1 7.571 45.941 65.360 1.00 25.66 C ATOM 9 HA MET A 1 11.567 42.614 64.502 1.00 0.00 H ATOM 10 HB2 MET A 1 9.326 43.268 65.087 1.00 0.00 H ATOM 11 HB3 MET A 1 9.964 42.399 66.502 1.00 0.00 H ATOM 12 HG2 MET A 1 10.474 44.653 67.507 1.00 0.00 H ATOM 13 HG3 MET A 1 8.760 44.197 67.365 1.00 0.00 H ATOM 14 HE1 MET A 1 7.551 45.120 64.643 1.00 0.00 H ATOM 15 HE2 MET A 1 6.894 45.721 66.185 1.00 0.00 H ATOM 16 HE3 MET A 1 7.259 46.862 64.868 1.00 0.00 H ATOM 17 HN3 MET A 1 12.516 43.679 67.082 1.00 0.00 H ATOM 18 HN2 MET A 1 13.444 42.941 65.865 1.00 0.00 H ATOM 19 HN1 MET A 1 12.278 42.039 66.711 1.00 0.00 H ATOM 20 N ALA A 2 11.113 44.884 63.457 1.00 38.78 N ATOM 21 CA ALA A 2 11.188 46.119 62.699 1.00 36.91 C ATOM 22 C ALA A 2 9.766 46.414 62.191 1.00 35.70 C ATOM 23 O ALA A 2 8.964 45.482 61.922 1.00 32.34 O ATOM 24 CB ALA A 2 12.148 45.966 61.511 1.00 33.52 C ATOM 25 HA ALA A 2 11.563 46.931 63.322 1.00 0.00 H ATOM 26 HB1 ALA A 2 13.143 45.716 61.879 1.00 0.00 H ATOM 27 HB2 ALA A 2 11.791 45.171 60.857 1.00 0.00 H ATOM 28 HB3 ALA A 2 12.190 46.903 60.956 1.00 0.00 H ATOM 29 H ALA A 2 10.578 44.087 63.058 1.00 0.00 H ATOM 30 N VAL A 3 9.443 47.699 62.119 1.00 34.45 N ATOM 31 CA VAL A 3 8.162 48.114 61.551 1.00 35.60 C ATOM 32 C VAL A 3 8.508 48.376 60.100 1.00 35.10 C ATOM 33 O VAL A 3 9.149 49.381 59.768 1.00 37.80 O ATOM 34 CB VAL A 3 7.602 49.404 62.194 1.00 34.85 C ATOM 35 CG1 VAL A 3 6.255 49.747 61.585 1.00 33.20 C ATOM 36 CG2 VAL A 3 7.431 49.180 63.688 1.00 34.46 C ATOM 37 HA VAL A 3 7.389 47.362 61.711 1.00 0.00 H ATOM 38 HB VAL A 3 8.296 50.225 62.014 1.00 0.00 H ATOM 39 HG11 VAL A 3 6.372 49.902 60.512 1.00 0.00 H ATOM 40 HG12 VAL A 3 5.559 48.927 61.761 1.00 0.00 H ATOM 41 HG13 VAL A 3 5.871 50.657 62.046 1.00 0.00 H ATOM 42 HG21 VAL A 3 6.737 48.356 63.853 1.00 0.00 H ATOM 43 HG22 VAL A 3 8.397 48.938 64.131 1.00 0.00 H ATOM 44 HG23 VAL A 3 7.036 50.086 64.147 1.00 0.00 H ATOM 45 H VAL A 3 10.108 48.418 62.470 1.00 0.00 H ATOM 46 N LEU A 4 8.087 47.446 59.255 1.00 33.78 N ATOM 47 CA LEU A 4 8.314 47.456 57.821 1.00 29.37 C ATOM 48 C LEU A 4 7.464 48.526 57.183 1.00 31.75 C ATOM 49 O LEU A 4 6.355 48.857 57.644 1.00 31.02 O ATOM 50 CB LEU A 4 7.903 46.101 57.238 1.00 29.45 C ATOM 51 CG LEU A 4 8.458 44.877 57.967 1.00 27.54 C ATOM 52 CD1 LEU A 4 7.911 43.598 57.339 1.00 22.14 C ATOM 53 CD2 LEU A 4 9.998 44.924 57.841 1.00 29.64 C ATOM 54 HA LEU A 4 9.368 47.650 57.625 1.00 0.00 H ATOM 55 HB2 LEU A 4 6.815 46.041 57.260 1.00 0.00 H ATOM 56 HB3 LEU A 4 8.247 46.061 56.204 1.00 0.00 H ATOM 57 HG LEU A 4 8.161 44.885 59.016 1.00 0.00 H ATOM 58 HD21 LEU A 4 10.276 44.900 56.787 1.00 0.00 H ATOM 59 HD22 LEU A 4 10.371 45.842 58.296 1.00 0.00 H ATOM 60 HD23 LEU A 4 10.429 44.063 58.351 1.00 0.00 H ATOM 61 HD11 LEU A 4 6.823 43.595 57.412 1.00 0.00 H ATOM 62 HD12 LEU A 4 8.206 43.554 56.291 1.00 0.00 H ATOM 63 HD13 LEU A 4 8.314 42.734 57.867 1.00 0.00 H ATOM 64 H LEU A 4 7.552 46.646 59.650 1.00 0.00 H ATOM 65 N GLU A 5 7.945 49.060 56.076 1.00 31.50 N ATOM 66 CA GLU A 5 7.155 50.090 55.416 1.00 30.67 C ATOM 67 C GLU A 5 6.059 49.379 54.578 1.00 28.83 C ATOM 68 O GLU A 5 6.394 48.459 53.805 1.00 26.18 O ATOM 69 CB GLU A 5 8.057 50.888 54.500 1.00 31.39 C ATOM 70 CG GLU A 5 7.280 51.697 53.505 1.00 41.82 C ATOM 71 CD GLU A 5 8.148 52.575 52.608 1.00 47.66 C ATOM 72 OE1 GLU A 5 9.155 52.068 52.024 1.00 50.90 O ATOM 73 OE2 GLU A 5 7.787 53.771 52.478 1.00 50.84 O ATOM 74 HA GLU A 5 6.700 50.761 56.144 1.00 0.00 H ATOM 75 HB2 GLU A 5 8.664 51.563 55.104 1.00 0.00 H ATOM 76 HB3 GLU A 5 8.708 50.200 53.961 1.00 0.00 H ATOM 77 HG2 GLU A 5 6.715 51.013 52.872 1.00 0.00 H ATOM 78 HG3 GLU A 5 6.589 52.340 54.050 1.00 0.00 H ATOM 79 H GLU A 5 8.860 48.755 55.687 1.00 0.00 H ATOM 80 N ILE A 6 4.788 49.750 54.733 1.00 25.71 N ATOM 81 CA ILE A 6 3.771 49.098 53.887 1.00 28.48 C ATOM 82 C ILE A 6 3.693 49.749 52.482 1.00 29.70 C ATOM 83 O ILE A 6 3.507 50.955 52.360 1.00 30.43 O ATOM 84 CB ILE A 6 2.352 49.060 54.563 1.00 29.12 C ATOM 85 CG1 ILE A 6 2.393 48.130 55.777 1.00 27.74 C ATOM 86 CG2 ILE A 6 1.296 48.417 53.598 1.00 21.86 C ATOM 87 CD1 ILE A 6 1.231 48.267 56.669 1.00 30.58 C ATOM 88 HA ILE A 6 4.096 48.064 53.767 1.00 0.00 H ATOM 89 HB ILE A 6 2.088 50.085 54.823 1.00 0.00 H ATOM 90 HG12 ILE A 6 2.434 47.101 55.421 1.00 0.00 H ATOM 91 HG13 ILE A 6 3.294 48.351 56.349 1.00 0.00 H ATOM 92 HD11 ILE A 6 1.182 49.289 57.045 1.00 0.00 H ATOM 93 HD12 ILE A 6 0.321 48.038 56.115 1.00 0.00 H ATOM 94 HD13 ILE A 6 1.333 47.575 57.505 1.00 0.00 H ATOM 95 HG21 ILE A 6 1.236 49.006 52.683 1.00 0.00 H ATOM 96 HG22 ILE A 6 1.599 47.398 53.356 1.00 0.00 H ATOM 97 HG23 ILE A 6 0.322 48.401 54.086 1.00 0.00 H ATOM 98 H ILE A 6 4.522 50.476 55.428 1.00 0.00 H ATOM 99 N ILE A 7 3.880 48.951 51.422 1.00 30.90 N ATOM 100 CA ILE A 7 3.856 49.479 50.052 1.00 32.95 C ATOM 101 C ILE A 7 2.443 49.897 49.609 1.00 35.35 C ATOM 102 O ILE A 7 1.486 49.106 49.711 1.00 35.27 O ATOM 103 CB ILE A 7 4.419 48.468 49.015 1.00 31.60 C ATOM 104 CG1 ILE A 7 5.908 48.119 49.283 1.00 35.01 C ATOM 105 CG2 ILE A 7 4.294 49.042 47.623 1.00 33.03 C ATOM 106 CD1 ILE A 7 6.861 49.289 49.447 1.00 33.36 C ATOM 107 HA ILE A 7 4.499 50.359 50.079 1.00 0.00 H ATOM 108 HB ILE A 7 3.835 47.552 49.107 1.00 0.00 H ATOM 109 HG12 ILE A 7 5.950 47.527 50.197 1.00 0.00 H ATOM 110 HG13 ILE A 7 6.263 47.518 48.446 1.00 0.00 H ATOM 111 HD11 ILE A 7 6.855 49.891 48.538 1.00 0.00 H ATOM 112 HD12 ILE A 7 6.542 49.900 50.291 1.00 0.00 H ATOM 113 HD13 ILE A 7 7.868 48.913 49.629 1.00 0.00 H ATOM 114 HG21 ILE A 7 3.244 49.237 47.405 1.00 0.00 H ATOM 115 HG22 ILE A 7 4.858 49.973 47.563 1.00 0.00 H ATOM 116 HG23 ILE A 7 4.690 48.329 46.900 1.00 0.00 H ATOM 117 H ILE A 7 4.046 47.935 51.573 1.00 0.00 H ATOM 118 N LYS A 8 2.312 51.139 49.137 1.00 36.50 N ATOM 119 CA LYS A 8 1.025 51.654 48.671 1.00 37.84 C ATOM 120 C LYS A 8 0.929 51.555 47.186 1.00 38.87 C ATOM 121 O LYS A 8 1.947 51.581 46.483 1.00 40.22 O ATOM 122 CB LYS A 8 0.839 53.129 48.996 1.00 37.09 C ATOM 123 CG LYS A 8 0.945 53.483 50.414 1.00 38.86 C ATOM 124 CD LYS A 8 -0.068 52.723 51.161 1.00 41.51 C ATOM 125 CE LYS A 8 0.375 52.539 52.603 1.00 44.67 C ATOM 126 NZ LYS A 8 0.679 53.841 53.214 1.00 48.73 N ATOM 127 HA LYS A 8 0.269 51.053 49.176 1.00 0.00 H ATOM 128 HB2 LYS A 8 1.598 53.691 48.452 1.00 0.00 H ATOM 129 HB3 LYS A 8 -0.150 53.427 48.649 1.00 0.00 H ATOM 130 HG2 LYS A 8 1.940 53.232 50.783 1.00 0.00 H ATOM 131 HG3 LYS A 8 0.771 54.552 50.541 1.00 0.00 H ATOM 132 HD2 LYS A 8 -1.013 53.265 51.140 1.00 0.00 H ATOM 133 HD3 LYS A 8 -0.201 51.746 50.697 1.00 0.00 H ATOM 134 HE2 LYS A 8 1.267 51.913 52.628 1.00 0.00 H ATOM 135 HE3 LYS A 8 -0.423 52.055 53.166 1.00 0.00 H ATOM 136 HZ1 LYS A 8 1.443 54.303 52.680 1.00 0.00 H ATOM 137 HZ2 LYS A 8 -0.171 54.439 53.193 1.00 0.00 H ATOM 138 HZ3 LYS A 8 0.980 53.698 54.199 1.00 0.00 H ATOM 139 H LYS A 8 3.148 51.757 49.100 1.00 0.00 H ATOM 140 N HIS A 9 -0.340 51.480 46.764 1.00 40.63 N ATOM 141 CA HIS A 9 -0.634 51.411 45.353 1.00 44.04 C ATOM 142 C HIS A 9 -0.311 52.664 44.619 1.00 47.07 C ATOM 143 O HIS A 9 -1.074 53.619 44.412 1.00 48.60 O ATOM 144 CB HIS A 9 -2.082 51.030 45.069 1.00 46.22 C ATOM 145 CG HIS A 9 -2.598 51.507 43.670 1.00 51.79 C ATOM 146 ND1 HIS A 9 -2.521 50.709 42.545 1.00 52.87 N ATOM 147 CD2 HIS A 9 -3.146 52.673 43.285 1.00 51.16 C ATOM 148 CE1 HIS A 9 -3.032 51.359 41.526 1.00 54.71 C ATOM 149 NE2 HIS A 9 -3.419 52.552 41.949 1.00 52.00 N ATOM 150 HA HIS A 9 0.020 50.620 44.985 1.00 0.00 H ATOM 151 HB2 HIS A 9 -2.167 49.944 45.115 1.00 0.00 H ATOM 152 HB3 HIS A 9 -2.712 51.476 45.838 1.00 0.00 H ATOM 153 HD2 HIS A 9 -3.336 53.543 43.913 1.00 0.00 H ATOM 154 HE1 HIS A 9 -3.122 50.982 40.507 1.00 0.00 H ATOM 155 H HIS A 9 -1.116 51.471 47.456 1.00 0.00 H ATOM 156 N PRO A 10 0.911 52.543 44.249 1.00 22.83 N ATOM 157 CA PRO A 10 1.694 53.304 43.307 1.00 24.37 C ATOM 158 C PRO A 10 2.858 52.344 43.138 1.00 23.93 C ATOM 159 O PRO A 10 4.013 52.778 43.210 1.00 24.89 O ATOM 160 CB PRO A 10 2.083 54.640 43.936 1.00 24.73 C ATOM 161 CG PRO A 10 2.174 54.231 45.335 1.00 25.60 C ATOM 162 CD PRO A 10 2.042 52.750 45.204 1.00 23.89 C ATOM 163 HA PRO A 10 1.222 53.585 42.366 1.00 0.00 H ATOM 164 HD3 PRO A 10 2.961 52.317 44.809 1.00 0.00 H ATOM 165 HD2 PRO A 10 1.815 52.299 46.170 1.00 0.00 H ATOM 166 HG3 PRO A 10 1.365 54.655 45.930 1.00 0.00 H ATOM 167 HG2 PRO A 10 3.132 54.511 45.774 1.00 0.00 H ATOM 168 HB2 PRO A 10 3.037 55.006 43.556 1.00 0.00 H ATOM 169 HB3 PRO A 10 1.317 55.400 43.783 1.00 0.00 H ATOM 170 N ASN A 11 2.591 51.026 42.893 1.00 49.04 N ATOM 171 CA ASN A 11 3.608 50.350 42.820 1.00 46.09 C ATOM 172 C ASN A 11 3.422 48.986 42.101 1.00 46.02 C ATOM 173 O ASN A 11 2.438 48.266 42.297 1.00 44.76 O ATOM 174 CB ASN A 11 4.014 50.055 44.246 1.00 46.35 C ATOM 175 CG ASN A 11 5.474 49.731 44.347 1.00 46.43 C ATOM 176 OD1 ASN A 11 6.266 50.482 44.912 1.00 53.87 O ATOM 177 ND2 ASN A 11 5.849 48.597 43.778 1.00 43.35 N ATOM 178 HA ASN A 11 4.341 50.910 42.240 1.00 0.00 H ATOM 179 HB2 ASN A 11 3.801 50.928 44.863 1.00 0.00 H ATOM 180 HB3 ASN A 11 3.437 49.205 44.610 1.00 0.00 H ATOM 181 HD22 ASN A 11 5.144 47.992 43.311 1.00 0.00 H ATOM 182 HD21 ASN A 11 6.849 48.311 43.798 1.00 0.00 H ATOM 183 H ASN A 11 1.631 50.641 42.781 1.00 0.00 H ATOM 184 N GLU A 12 4.412 48.653 41.249 1.00 41.87 N ATOM 185 CA GLU A 12 4.382 47.438 40.460 1.00 38.85 C ATOM 186 C GLU A 12 4.603 46.141 41.223 1.00 34.84 C ATOM 187 O GLU A 12 4.109 45.106 40.808 1.00 32.74 O ATOM 188 CB GLU A 12 5.358 47.567 39.305 1.00 43.46 C ATOM 189 CG GLU A 12 5.197 48.910 38.613 1.00 51.47 C ATOM 190 CD GLU A 12 5.949 49.030 37.286 1.00 57.57 C ATOM 191 OE1 GLU A 12 5.491 48.433 36.280 1.00 61.20 O ATOM 192 OE2 GLU A 12 6.994 49.733 37.235 1.00 61.33 O ATOM 193 HA GLU A 12 3.357 47.348 40.099 1.00 0.00 H ATOM 194 HB2 GLU A 12 6.376 47.480 39.685 1.00 0.00 H ATOM 195 HB3 GLU A 12 5.170 46.769 38.587 1.00 0.00 H ATOM 196 HG2 GLU A 12 4.136 49.070 38.420 1.00 0.00 H ATOM 197 HG3 GLU A 12 5.564 49.686 39.285 1.00 0.00 H ATOM 198 H GLU A 12 5.227 49.292 41.154 1.00 0.00 H ATOM 199 N VAL A 13 5.323 46.184 42.337 1.00 28.79 N ATOM 200 CA VAL A 13 5.531 44.962 43.104 1.00 27.58 C ATOM 201 C VAL A 13 4.150 44.368 43.556 1.00 23.37 C ATOM 202 O VAL A 13 4.044 43.178 43.713 1.00 26.16 O ATOM 203 CB VAL A 13 6.416 45.231 44.324 1.00 27.00 C ATOM 204 CG1 VAL A 13 5.625 46.078 45.360 1.00 29.37 C ATOM 205 CG2 VAL A 13 6.873 43.918 44.954 1.00 28.71 C ATOM 206 HA VAL A 13 6.038 44.237 42.467 1.00 0.00 H ATOM 207 HB VAL A 13 7.301 45.783 44.007 1.00 0.00 H ATOM 208 HG11 VAL A 13 5.333 47.025 44.906 1.00 0.00 H ATOM 209 HG12 VAL A 13 4.734 45.532 45.670 1.00 0.00 H ATOM 210 HG13 VAL A 13 6.256 46.269 46.228 1.00 0.00 H ATOM 211 HG21 VAL A 13 6.001 43.344 45.268 1.00 0.00 H ATOM 212 HG22 VAL A 13 7.442 43.344 44.223 1.00 0.00 H ATOM 213 HG23 VAL A 13 7.501 44.131 45.819 1.00 0.00 H ATOM 214 H VAL A 13 5.736 47.082 42.660 1.00 0.00 H ATOM 215 N LEU A 14 3.138 45.204 43.746 1.00 22.40 N ATOM 216 CA LEU A 14 1.794 44.787 44.154 1.00 23.92 C ATOM 217 C LEU A 14 1.047 43.873 43.163 1.00 26.40 C ATOM 218 O LEU A 14 0.153 43.145 43.604 1.00 26.63 O ATOM 219 CB LEU A 14 0.901 45.988 44.452 1.00 23.87 C ATOM 220 CG LEU A 14 1.311 46.811 45.673 1.00 27.86 C ATOM 221 CD1 LEU A 14 0.480 48.109 45.725 1.00 25.91 C ATOM 222 CD2 LEU A 14 1.123 45.984 46.899 1.00 32.82 C ATOM 223 HA LEU A 14 1.982 44.196 45.050 1.00 0.00 H ATOM 224 HB2 LEU A 14 0.915 46.644 43.582 1.00 0.00 H ATOM 225 HB3 LEU A 14 -0.113 45.623 44.615 1.00 0.00 H ATOM 226 HG LEU A 14 2.362 47.094 45.609 1.00 0.00 H ATOM 227 HD21 LEU A 14 0.075 45.695 46.984 1.00 0.00 H ATOM 228 HD22 LEU A 14 1.743 45.090 46.831 1.00 0.00 H ATOM 229 HD23 LEU A 14 1.413 46.564 47.775 1.00 0.00 H ATOM 230 HD11 LEU A 14 0.658 48.689 44.820 1.00 0.00 H ATOM 231 HD12 LEU A 14 -0.579 47.859 45.795 1.00 0.00 H ATOM 232 HD13 LEU A 14 0.775 48.693 46.597 1.00 0.00 H ATOM 233 H LEU A 14 3.309 46.219 43.596 1.00 0.00 H ATOM 234 N GLU A 15 1.334 43.995 41.846 1.00 23.39 N ATOM 235 CA GLU A 15 0.739 43.129 40.831 1.00 25.69 C ATOM 236 C GLU A 15 1.633 42.017 40.318 1.00 23.14 C ATOM 237 O GLU A 15 1.277 41.312 39.379 1.00 22.84 O ATOM 238 CB GLU A 15 0.265 43.949 39.648 1.00 27.54 C ATOM 239 CG GLU A 15 -0.641 44.998 40.087 1.00 39.93 C ATOM 240 CD GLU A 15 -1.804 45.125 39.195 1.00 45.46 C ATOM 241 OE1 GLU A 15 -2.693 44.215 39.242 1.00 51.04 O ATOM 242 OE2 GLU A 15 -1.819 46.124 38.453 1.00 45.32 O ATOM 243 HA GLU A 15 -0.090 42.643 41.345 1.00 0.00 H ATOM 244 HB2 GLU A 15 1.126 44.401 39.156 1.00 0.00 H ATOM 245 HB3 GLU A 15 -0.254 43.298 38.944 1.00 0.00 H ATOM 246 HG2 GLU A 15 -0.991 44.764 41.092 1.00 0.00 H ATOM 247 HG3 GLU A 15 -0.103 45.946 40.102 1.00 0.00 H ATOM 248 H GLU A 15 2.003 44.733 41.545 1.00 0.00 H ATOM 249 N THR A 16 2.769 41.818 40.966 1.00 22.35 N ATOM 250 CA THR A 16 3.690 40.787 40.554 1.00 18.50 C ATOM 251 C THR A 16 3.372 39.496 41.275 1.00 19.44 C ATOM 252 O THR A 16 3.501 39.418 42.493 1.00 22.59 O ATOM 253 CB THR A 16 5.132 41.267 40.887 1.00 21.60 C ATOM 254 OG1 THR A 16 5.493 42.319 40.007 1.00 22.49 O ATOM 255 CG2 THR A 16 6.117 40.167 40.830 1.00 13.68 C ATOM 256 HA THR A 16 3.604 40.601 39.483 1.00 0.00 H ATOM 257 HB THR A 16 5.139 41.633 41.914 1.00 0.00 H ATOM 258 HG1 THR A 16 4.860 43.072 40.117 1.00 0.00 H ATOM 259 HG23 THR A 16 5.815 39.375 41.515 1.00 0.00 H ATOM 260 HG21 THR A 16 6.162 39.774 39.814 1.00 0.00 H ATOM 261 HG22 THR A 16 7.098 40.544 41.119 1.00 0.00 H ATOM 262 H THR A 16 3.002 42.414 41.786 1.00 0.00 H ATOM 263 N PRO A 17 2.917 38.460 40.558 1.00 19.23 N ATOM 264 CA PRO A 17 2.619 37.191 41.298 1.00 18.22 C ATOM 265 C PRO A 17 3.930 36.768 41.997 1.00 20.27 C ATOM 266 O PRO A 17 5.035 36.867 41.400 1.00 17.88 O ATOM 267 CB PRO A 17 2.312 36.180 40.179 1.00 15.61 C ATOM 268 CG PRO A 17 1.958 37.089 38.995 1.00 20.27 C ATOM 269 CD PRO A 17 2.819 38.278 39.100 1.00 18.25 C ATOM 270 HA PRO A 17 1.813 37.271 42.028 1.00 0.00 H ATOM 271 HD3 PRO A 17 3.798 38.098 38.657 1.00 0.00 H ATOM 272 HD2 PRO A 17 2.359 39.143 38.623 1.00 0.00 H ATOM 273 HG3 PRO A 17 0.909 37.380 39.045 1.00 0.00 H ATOM 274 HG2 PRO A 17 2.146 36.571 38.054 1.00 0.00 H ATOM 275 HB2 PRO A 17 3.183 35.563 39.956 1.00 0.00 H ATOM 276 HB3 PRO A 17 1.473 35.538 40.447 1.00 0.00 H ATOM 277 N CYS A 18 3.796 36.232 43.206 1.00 18.36 N ATOM 278 CA CYS A 18 4.896 35.797 44.020 1.00 19.65 C ATOM 279 C CYS A 18 5.441 34.429 43.786 1.00 17.67 C ATOM 280 O CYS A 18 4.695 33.538 43.463 1.00 18.55 O ATOM 281 CB CYS A 18 4.446 35.860 45.463 1.00 14.48 C ATOM 282 SG CYS A 18 4.083 37.609 45.922 1.00 17.84 S ATOM 283 HA CYS A 18 5.712 36.467 43.751 1.00 0.00 H ATOM 284 HB2 CYS A 18 5.235 35.472 46.107 1.00 0.00 H ATOM 285 HB3 CYS A 18 3.547 35.257 45.590 1.00 0.00 H ATOM 286 HG CYS A 18 5.223 38.371 45.763 1.00 0.00 H ATOM 287 H CYS A 18 2.834 36.121 43.586 1.00 0.00 H ATOM 288 N GLU A 19 6.743 34.253 44.059 1.00 19.71 N ATOM 289 CA GLU A 19 7.381 32.946 43.931 1.00 19.06 C ATOM 290 C GLU A 19 7.101 32.103 45.219 1.00 17.28 C ATOM 291 O GLU A 19 6.881 32.638 46.281 1.00 15.56 O ATOM 292 CB GLU A 19 8.912 33.111 43.723 1.00 21.69 C ATOM 293 CG GLU A 19 9.303 33.568 42.242 1.00 25.31 C ATOM 294 CD GLU A 19 8.634 32.680 41.148 1.00 26.31 C ATOM 295 OE1 GLU A 19 8.751 31.452 41.249 1.00 29.62 O ATOM 296 OE2 GLU A 19 7.956 33.193 40.223 1.00 27.85 O ATOM 297 HA GLU A 19 6.969 32.430 43.064 1.00 0.00 H ATOM 298 HB2 GLU A 19 9.278 33.860 44.425 1.00 0.00 H ATOM 299 HB3 GLU A 19 9.394 32.156 43.929 1.00 0.00 H ATOM 300 HG2 GLU A 19 8.984 34.600 42.098 1.00 0.00 H ATOM 301 HG3 GLU A 19 10.385 33.505 42.130 1.00 0.00 H ATOM 302 H GLU A 19 7.311 35.067 44.369 1.00 0.00 H ATOM 303 N ARG A 20 7.111 30.767 45.106 1.00 17.24 N ATOM 304 CA ARG A 20 6.915 29.933 46.260 1.00 15.12 C ATOM 305 C ARG A 20 8.128 30.063 47.143 1.00 18.92 C ATOM 306 O ARG A 20 9.225 30.350 46.662 1.00 18.03 O ATOM 307 CB ARG A 20 6.794 28.456 45.821 1.00 17.87 C ATOM 308 CG ARG A 20 5.349 28.059 45.373 1.00 25.06 C ATOM 309 CD ARG A 20 5.318 26.746 44.659 1.00 26.90 C ATOM 310 NE ARG A 20 5.622 25.677 45.568 1.00 35.81 N ATOM 311 CZ ARG A 20 4.763 25.133 46.430 1.00 37.34 C ATOM 312 NH1 ARG A 20 3.503 25.578 46.497 1.00 37.58 N ATOM 313 NH2 ARG A 20 5.180 24.146 47.233 1.00 37.61 N ATOM 314 HA ARG A 20 6.009 30.236 46.785 1.00 0.00 H ATOM 315 HB2 ARG A 20 7.474 28.286 44.986 1.00 0.00 H ATOM 316 HB3 ARG A 20 7.083 27.821 46.659 1.00 0.00 H ATOM 317 HG2 ARG A 20 4.713 27.993 46.256 1.00 0.00 H ATOM 318 HG3 ARG A 20 4.964 28.830 44.706 1.00 0.00 H ATOM 319 HD2 ARG A 20 6.055 26.756 43.856 1.00 0.00 H ATOM 320 HD3 ARG A 20 4.325 26.589 44.238 1.00 0.00 H ATOM 321 HE ARG A 20 6.590 25.297 45.553 1.00 0.00 H ATOM 322 HH12 ARG A 20 2.836 25.151 47.171 1.00 0.00 H ATOM 323 HH11 ARG A 20 3.191 26.351 45.875 1.00 0.00 H ATOM 324 HH22 ARG A 20 4.520 23.713 47.910 1.00 0.00 H ATOM 325 HH21 ARG A 20 6.164 23.813 47.180 1.00 0.00 H ATOM 326 H ARG A 20 7.262 30.330 44.174 1.00 0.00 H ATOM 327 N VAL A 21 7.930 29.887 48.438 1.00 19.44 N ATOM 328 CA VAL A 21 9.046 29.807 49.375 1.00 17.63 C ATOM 329 C VAL A 21 9.688 28.402 49.217 1.00 18.98 C ATOM 330 O VAL A 21 8.984 27.387 49.229 1.00 18.02 O ATOM 331 CB VAL A 21 8.556 29.888 50.861 1.00 17.55 C ATOM 332 CG1 VAL A 21 9.666 29.371 51.782 1.00 17.79 C ATOM 333 CG2 VAL A 21 8.242 31.351 51.248 1.00 16.72 C ATOM 334 HA VAL A 21 9.730 30.629 49.164 1.00 0.00 H ATOM 335 HB VAL A 21 7.654 29.285 50.966 1.00 0.00 H ATOM 336 HG11 VAL A 21 9.896 28.337 51.526 1.00 0.00 H ATOM 337 HG12 VAL A 21 10.558 29.985 51.655 1.00 0.00 H ATOM 338 HG13 VAL A 21 9.331 29.425 52.818 1.00 0.00 H ATOM 339 HG21 VAL A 21 9.142 31.956 51.138 1.00 0.00 H ATOM 340 HG22 VAL A 21 7.460 31.738 50.595 1.00 0.00 H ATOM 341 HG23 VAL A 21 7.903 31.387 52.283 1.00 0.00 H ATOM 342 H VAL A 21 6.958 29.804 48.797 1.00 0.00 H ATOM 343 N ILE A 22 11.022 28.350 49.125 1.00 20.98 N ATOM 344 CA ILE A 22 11.776 27.103 49.022 1.00 20.87 C ATOM 345 C ILE A 22 12.629 26.832 50.246 1.00 20.66 C ATOM 346 O ILE A 22 12.674 25.709 50.719 1.00 21.99 O ATOM 347 CB ILE A 22 12.680 27.145 47.744 1.00 27.67 C ATOM 348 CG1 ILE A 22 11.737 27.213 46.521 1.00 27.26 C ATOM 349 CG2 ILE A 22 13.619 25.911 47.677 1.00 23.66 C ATOM 350 CD1 ILE A 22 12.401 27.324 45.245 1.00 33.07 C ATOM 351 HA ILE A 22 11.053 26.290 48.951 1.00 0.00 H ATOM 352 HB ILE A 22 13.333 28.017 47.764 1.00 0.00 H ATOM 353 HG12 ILE A 22 11.131 26.307 46.510 1.00 0.00 H ATOM 354 HG13 ILE A 22 11.088 28.081 46.642 1.00 0.00 H ATOM 355 HD11 ILE A 22 13.002 28.233 45.228 1.00 0.00 H ATOM 356 HD12 ILE A 22 13.045 26.458 45.096 1.00 0.00 H ATOM 357 HD13 ILE A 22 11.655 27.365 44.451 1.00 0.00 H ATOM 358 HG21 ILE A 22 14.262 25.897 48.557 1.00 0.00 H ATOM 359 HG22 ILE A 22 13.020 25.001 47.649 1.00 0.00 H ATOM 360 HG23 ILE A 22 14.233 25.971 46.778 1.00 0.00 H ATOM 361 H ILE A 22 11.551 29.246 49.127 1.00 0.00 H ATOM 362 N ASN A 23 13.320 27.847 50.749 1.00 19.65 N ATOM 363 CA ASN A 23 14.157 27.670 51.910 1.00 20.40 C ATOM 364 C ASN A 23 13.384 28.211 53.084 1.00 20.78 C ATOM 365 O ASN A 23 13.108 29.412 53.127 1.00 18.13 O ATOM 366 CB ASN A 23 15.489 28.443 51.710 1.00 21.79 C ATOM 367 CG ASN A 23 16.195 27.986 50.440 1.00 28.40 C ATOM 368 OD1 ASN A 23 16.506 26.818 50.296 1.00 31.03 O ATOM 369 ND2 ASN A 23 16.365 28.872 49.507 1.00 29.18 N ATOM 370 HA ASN A 23 14.409 26.623 52.075 1.00 0.00 H ATOM 371 HB2 ASN A 23 15.276 29.509 51.637 1.00 0.00 H ATOM 372 HB3 ASN A 23 16.139 28.262 52.566 1.00 0.00 H ATOM 373 HD22 ASN A 23 16.085 29.860 49.671 1.00 0.00 H ATOM 374 HD21 ASN A 23 16.781 28.594 48.595 1.00 0.00 H ATOM 375 H ASN A 23 13.257 28.783 50.300 1.00 0.00 H ATOM 376 N PHE A 24 12.982 27.309 54.000 1.00 20.40 N ATOM 377 CA PHE A 24 12.264 27.734 55.187 1.00 18.96 C ATOM 378 C PHE A 24 13.387 28.071 56.190 1.00 22.60 C ATOM 379 O PHE A 24 13.778 27.233 56.998 1.00 19.17 O ATOM 380 CB PHE A 24 11.351 26.603 55.671 1.00 20.27 C ATOM 381 CG PHE A 24 10.099 26.441 54.781 1.00 18.39 C ATOM 382 CD1 PHE A 24 10.180 25.777 53.546 1.00 21.45 C ATOM 383 CD2 PHE A 24 8.893 27.044 55.148 1.00 18.25 C ATOM 384 CE1 PHE A 24 9.076 25.727 52.679 1.00 18.96 C ATOM 385 CE2 PHE A 24 7.783 27.005 54.329 1.00 15.49 C ATOM 386 CZ PHE A 24 7.874 26.344 53.077 1.00 18.74 C ATOM 387 HA PHE A 24 11.605 28.588 55.032 1.00 0.00 H ATOM 388 HB2 PHE A 24 11.913 25.669 55.660 1.00 0.00 H ATOM 389 HB3 PHE A 24 11.032 26.821 56.690 1.00 0.00 H ATOM 390 HD2 PHE A 24 8.827 27.559 56.107 1.00 0.00 H ATOM 391 HE2 PHE A 24 6.850 27.475 54.640 1.00 0.00 H ATOM 392 HZ PHE A 24 7.007 26.313 52.418 1.00 0.00 H ATOM 393 HE1 PHE A 24 9.148 25.220 51.717 1.00 0.00 H ATOM 394 HD1 PHE A 24 11.113 25.294 53.256 1.00 0.00 H ATOM 395 H PHE A 24 13.188 26.300 53.855 1.00 0.00 H ATOM 396 N ASP A 25 13.861 29.313 56.122 1.00 21.64 N ATOM 397 CA ASP A 25 15.030 29.733 56.903 1.00 25.29 C ATOM 398 C ASP A 25 14.719 30.791 57.937 1.00 25.90 C ATOM 399 O ASP A 25 13.545 31.216 58.122 1.00 21.27 O ATOM 400 CB ASP A 25 16.110 30.274 55.964 1.00 23.68 C ATOM 401 CG ASP A 25 15.584 31.396 55.053 1.00 31.80 C ATOM 402 OD1 ASP A 25 14.475 31.975 55.351 1.00 26.88 O ATOM 403 OD2 ASP A 25 16.261 31.696 54.021 1.00 30.48 O ATOM 404 HA ASP A 25 15.373 28.847 57.437 1.00 0.00 H ATOM 405 HB2 ASP A 25 16.932 30.665 56.563 1.00 0.00 H ATOM 406 HB3 ASP A 25 16.474 29.457 55.340 1.00 0.00 H ATOM 407 H ASP A 25 13.392 30.002 55.500 1.00 0.00 H ATOM 408 N LYS A 26 15.786 31.213 58.606 1.00 24.04 N ATOM 409 CA LYS A 26 15.648 32.196 59.700 1.00 28.18 C ATOM 410 C LYS A 26 15.134 33.523 59.169 1.00 27.98 C ATOM 411 O LYS A 26 14.317 34.177 59.809 1.00 25.89 O ATOM 412 CB LYS A 26 16.996 32.407 60.393 1.00 29.03 C ATOM 413 CG LYS A 26 17.590 31.090 60.958 1.00 36.34 C ATOM 414 CD LYS A 26 18.900 31.394 61.707 1.00 42.78 C ATOM 415 CE LYS A 26 18.701 32.680 62.551 1.00 49.06 C ATOM 416 NZ LYS A 26 19.375 32.703 63.926 1.00 55.69 N ATOM 417 HA LYS A 26 14.929 31.805 60.420 1.00 0.00 H ATOM 418 HB2 LYS A 26 17.698 32.825 59.672 1.00 0.00 H ATOM 419 HB3 LYS A 26 16.860 33.110 61.215 1.00 0.00 H ATOM 420 HG2 LYS A 26 16.876 30.635 61.645 1.00 0.00 H ATOM 421 HG3 LYS A 26 17.792 30.402 60.138 1.00 0.00 H ATOM 422 HD2 LYS A 26 19.151 30.560 62.362 1.00 0.00 H ATOM 423 HD3 LYS A 26 19.707 31.546 60.990 1.00 0.00 H ATOM 424 HE2 LYS A 26 17.630 32.814 62.704 1.00 0.00 H ATOM 425 HE3 LYS A 26 19.092 33.519 61.975 1.00 0.00 H ATOM 426 HZ1 LYS A 26 19.006 31.921 64.505 1.00 0.00 H ATOM 427 HZ2 LYS A 26 20.403 32.594 63.809 1.00 0.00 H ATOM 428 HZ3 LYS A 26 19.172 33.609 64.395 1.00 0.00 H ATOM 429 H LYS A 26 16.728 30.848 58.357 1.00 0.00 H ATOM 430 N LYS A 27 15.595 33.899 57.978 1.00 27.05 N ATOM 431 CA LYS A 27 15.194 35.174 57.395 1.00 27.81 C ATOM 432 C LYS A 27 13.668 35.179 57.137 1.00 27.42 C ATOM 433 O LYS A 27 13.030 36.205 57.348 1.00 25.87 O ATOM 434 CB LYS A 27 16.047 35.510 56.119 1.00 30.82 C ATOM 435 CG LYS A 27 16.210 34.417 55.085 1.00 37.58 C ATOM 436 CD LYS A 27 17.125 34.857 53.856 1.00 41.48 C ATOM 437 CE LYS A 27 18.614 34.878 54.230 1.00 46.47 C ATOM 438 NZ LYS A 27 19.216 33.494 54.528 1.00 43.01 N ATOM 439 HA LYS A 27 15.399 35.977 58.103 1.00 0.00 H ATOM 440 HB2 LYS A 27 15.577 36.361 55.625 1.00 0.00 H ATOM 441 HB3 LYS A 27 17.044 35.793 56.457 1.00 0.00 H ATOM 442 HG2 LYS A 27 16.664 33.550 55.564 1.00 0.00 H ATOM 443 HG3 LYS A 27 15.224 34.147 54.706 1.00 0.00 H ATOM 444 HD2 LYS A 27 16.977 34.154 53.036 1.00 0.00 H ATOM 445 HD3 LYS A 27 16.828 35.855 53.535 1.00 0.00 H ATOM 446 HE2 LYS A 27 18.734 35.500 55.117 1.00 0.00 H ATOM 447 HE3 LYS A 27 19.167 35.319 53.401 1.00 0.00 H ATOM 448 HZ1 LYS A 27 18.709 33.061 55.326 1.00 0.00 H ATOM 449 HZ2 LYS A 27 19.123 32.889 53.688 1.00 0.00 H ATOM 450 HZ3 LYS A 27 20.222 33.600 54.771 1.00 0.00 H ATOM 451 H LYS A 27 16.247 33.278 57.459 1.00 0.00 H ATOM 452 N LEU A 28 13.113 34.033 56.730 1.00 25.85 N ATOM 453 CA LEU A 28 11.661 33.862 56.498 1.00 23.99 C ATOM 454 C LEU A 28 10.945 34.054 57.865 1.00 21.27 C ATOM 455 O LEU A 28 9.907 34.661 57.978 1.00 19.42 O ATOM 456 CB LEU A 28 11.350 32.434 55.979 1.00 20.50 C ATOM 457 CG LEU A 28 9.824 32.118 55.973 1.00 21.74 C ATOM 458 CD1 LEU A 28 9.135 33.027 54.989 1.00 19.47 C ATOM 459 CD2 LEU A 28 9.575 30.692 55.600 1.00 21.71 C ATOM 460 HA LEU A 28 11.322 34.584 55.755 1.00 0.00 H ATOM 461 HB2 LEU A 28 11.730 32.341 54.962 1.00 0.00 H ATOM 462 HB3 LEU A 28 11.854 31.711 56.621 1.00 0.00 H ATOM 463 HG LEU A 28 9.428 32.283 56.975 1.00 0.00 H ATOM 464 HD21 LEU A 28 9.976 30.503 54.604 1.00 0.00 H ATOM 465 HD22 LEU A 28 10.066 30.038 56.321 1.00 0.00 H ATOM 466 HD23 LEU A 28 8.502 30.499 55.604 1.00 0.00 H ATOM 467 HD11 LEU A 28 9.294 34.065 55.282 1.00 0.00 H ATOM 468 HD12 LEU A 28 9.548 32.862 53.994 1.00 0.00 H ATOM 469 HD13 LEU A 28 8.067 32.809 54.982 1.00 0.00 H ATOM 470 H LEU A 28 13.736 33.216 56.567 1.00 0.00 H ATOM 471 N VAL A 29 11.541 33.524 58.910 1.00 21.93 N ATOM 472 CA VAL A 29 10.936 33.680 60.216 1.00 21.91 C ATOM 473 C VAL A 29 10.883 35.141 60.650 1.00 23.11 C ATOM 474 O VAL A 29 9.840 35.634 61.112 1.00 20.77 O ATOM 475 CB VAL A 29 11.628 32.846 61.288 1.00 21.96 C ATOM 476 CG1 VAL A 29 11.019 33.218 62.711 1.00 20.91 C ATOM 477 CG2 VAL A 29 11.366 31.336 60.952 1.00 16.41 C ATOM 478 HA VAL A 29 9.916 33.311 60.111 1.00 0.00 H ATOM 479 HB VAL A 29 12.700 33.040 61.313 1.00 0.00 H ATOM 480 HG11 VAL A 29 11.181 34.278 62.908 1.00 0.00 H ATOM 481 HG12 VAL A 29 9.950 33.006 62.714 1.00 0.00 H ATOM 482 HG13 VAL A 29 11.511 32.624 63.482 1.00 0.00 H ATOM 483 HG21 VAL A 29 10.293 31.146 60.954 1.00 0.00 H ATOM 484 HG22 VAL A 29 11.775 31.108 59.968 1.00 0.00 H ATOM 485 HG23 VAL A 29 11.849 30.709 61.702 1.00 0.00 H ATOM 486 H VAL A 29 12.433 33.001 58.800 1.00 0.00 H ATOM 487 N LYS A 30 11.973 35.844 60.411 1.00 22.16 N ATOM 488 CA LYS A 30 12.015 37.247 60.777 1.00 24.57 C ATOM 489 C LYS A 30 11.031 38.051 59.914 1.00 22.27 C ATOM 490 O LYS A 30 10.413 39.007 60.391 1.00 22.43 O ATOM 491 CB LYS A 30 13.418 37.827 60.645 1.00 29.14 C ATOM 492 CG LYS A 30 13.404 39.297 61.102 1.00 33.72 C ATOM 493 CD LYS A 30 14.731 40.040 60.978 1.00 41.03 C ATOM 494 CE LYS A 30 14.532 41.570 61.345 1.00 40.40 C ATOM 495 NZ LYS A 30 13.916 41.766 62.715 1.00 41.22 N ATOM 496 HA LYS A 30 11.723 37.320 61.825 1.00 0.00 H ATOM 497 HB2 LYS A 30 14.108 37.258 61.268 1.00 0.00 H ATOM 498 HB3 LYS A 30 13.739 37.771 59.605 1.00 0.00 H ATOM 499 HG2 LYS A 30 12.665 39.828 60.502 1.00 0.00 H ATOM 500 HG3 LYS A 30 13.104 39.320 62.150 1.00 0.00 H ATOM 501 HD2 LYS A 30 15.458 39.597 61.658 1.00 0.00 H ATOM 502 HD3 LYS A 30 15.096 39.959 59.954 1.00 0.00 H ATOM 503 HE2 LYS A 30 13.880 42.026 60.600 1.00 0.00 H ATOM 504 HE3 LYS A 30 15.504 42.063 61.325 1.00 0.00 H ATOM 505 HZ1 LYS A 30 12.983 41.307 62.743 1.00 0.00 H ATOM 506 HZ2 LYS A 30 14.535 41.342 63.436 1.00 0.00 H ATOM 507 HZ3 LYS A 30 13.809 42.783 62.903 1.00 0.00 H ATOM 508 H LYS A 30 12.797 35.395 59.963 1.00 0.00 H ATOM 509 N LEU A 31 10.909 37.681 58.642 1.00 19.12 N ATOM 510 CA LEU A 31 9.953 38.354 57.792 1.00 20.69 C ATOM 511 C LEU A 31 8.538 38.256 58.455 1.00 17.32 C ATOM 512 O LEU A 31 7.877 39.237 58.599 1.00 18.31 O ATOM 513 CB LEU A 31 9.851 37.683 56.432 1.00 21.88 C ATOM 514 CG LEU A 31 8.790 38.253 55.450 1.00 21.94 C ATOM 515 CD1 LEU A 31 8.928 39.749 55.284 1.00 25.19 C ATOM 516 CD2 LEU A 31 8.954 37.574 54.054 1.00 20.51 C ATOM 517 HA LEU A 31 10.282 39.386 57.668 1.00 0.00 H ATOM 518 HB2 LEU A 31 10.825 37.764 55.950 1.00 0.00 H ATOM 519 HB3 LEU A 31 9.616 36.632 56.599 1.00 0.00 H ATOM 520 HG LEU A 31 7.805 38.042 55.867 1.00 0.00 H ATOM 521 HD21 LEU A 31 9.953 37.777 53.668 1.00 0.00 H ATOM 522 HD22 LEU A 31 8.814 36.498 54.156 1.00 0.00 H ATOM 523 HD23 LEU A 31 8.209 37.975 53.367 1.00 0.00 H ATOM 524 HD11 LEU A 31 8.797 40.234 56.251 1.00 0.00 H ATOM 525 HD12 LEU A 31 9.918 39.980 54.892 1.00 0.00 H ATOM 526 HD13 LEU A 31 8.168 40.108 54.590 1.00 0.00 H ATOM 527 H LEU A 31 11.498 36.913 58.262 1.00 0.00 H ATOM 528 N LEU A 32 8.084 37.041 58.733 1.00 14.74 N ATOM 529 CA LEU A 32 6.770 36.806 59.335 1.00 19.03 C ATOM 530 C LEU A 32 6.552 37.550 60.666 1.00 19.00 C ATOM 531 O LEU A 32 5.476 38.135 60.912 1.00 18.00 O ATOM 532 CB LEU A 32 6.536 35.279 59.552 1.00 18.28 C ATOM 533 CG LEU A 32 6.076 34.583 58.243 1.00 19.44 C ATOM 534 CD1 LEU A 32 5.992 33.066 58.335 1.00 22.15 C ATOM 535 CD2 LEU A 32 4.708 35.197 57.952 1.00 15.41 C ATOM 536 HA LEU A 32 6.045 37.207 58.627 1.00 0.00 H ATOM 537 HB2 LEU A 32 7.467 34.822 59.889 1.00 0.00 H ATOM 538 HB3 LEU A 32 5.769 35.143 60.315 1.00 0.00 H ATOM 539 HG LEU A 32 6.805 34.746 57.449 1.00 0.00 H ATOM 540 HD21 LEU A 32 4.034 34.991 58.784 1.00 0.00 H ATOM 541 HD22 LEU A 32 4.814 36.275 57.827 1.00 0.00 H ATOM 542 HD23 LEU A 32 4.303 34.762 57.038 1.00 0.00 H ATOM 543 HD11 LEU A 32 6.974 32.663 58.582 1.00 0.00 H ATOM 544 HD12 LEU A 32 5.279 32.789 59.111 1.00 0.00 H ATOM 545 HD13 LEU A 32 5.663 32.663 57.377 1.00 0.00 H ATOM 546 H LEU A 32 8.686 36.222 58.514 1.00 0.00 H ATOM 547 N LYS A 33 7.553 37.470 61.543 1.00 21.05 N ATOM 548 CA LYS A 33 7.441 38.170 62.819 1.00 23.75 C ATOM 549 C LYS A 33 7.277 39.671 62.551 1.00 23.67 C ATOM 550 O LYS A 33 6.408 40.296 63.121 1.00 24.38 O ATOM 551 CB LYS A 33 8.692 37.930 63.655 1.00 27.91 C ATOM 552 CG LYS A 33 8.806 36.548 64.287 1.00 30.88 C ATOM 553 CD LYS A 33 10.237 36.359 64.867 1.00 39.16 C ATOM 554 CE LYS A 33 10.298 35.148 65.819 1.00 42.79 C ATOM 555 NZ LYS A 33 11.496 35.167 66.691 1.00 44.49 N ATOM 556 HA LYS A 33 6.576 37.796 63.366 1.00 0.00 H ATOM 557 HB2 LYS A 33 9.559 38.077 63.011 1.00 0.00 H ATOM 558 HB3 LYS A 33 8.707 38.668 64.457 1.00 0.00 H ATOM 559 HG2 LYS A 33 8.073 36.453 65.089 1.00 0.00 H ATOM 560 HG3 LYS A 33 8.616 35.786 63.531 1.00 0.00 H ATOM 561 HD2 LYS A 33 10.936 36.201 64.045 1.00 0.00 H ATOM 562 HD3 LYS A 33 10.520 37.257 65.416 1.00 0.00 H ATOM 563 HE2 LYS A 33 10.314 34.236 65.223 1.00 0.00 H ATOM 564 HE3 LYS A 33 9.408 35.153 66.448 1.00 0.00 H ATOM 565 HZ1 LYS A 33 12.353 35.153 66.101 1.00 0.00 H ATOM 566 HZ2 LYS A 33 11.487 36.030 67.272 1.00 0.00 H ATOM 567 HZ3 LYS A 33 11.486 34.331 67.310 1.00 0.00 H ATOM 568 H LYS A 33 8.404 36.915 61.320 1.00 0.00 H ATOM 569 N ASP A 34 8.122 40.261 61.700 1.00 22.42 N ATOM 570 CA ASP A 34 8.021 41.732 61.424 1.00 21.72 C ATOM 571 C ASP A 34 6.672 42.083 60.765 1.00 19.07 C ATOM 572 O ASP A 34 6.097 43.149 61.013 1.00 17.12 O ATOM 573 CB ASP A 34 9.167 42.220 60.513 1.00 19.58 C ATOM 574 CG ASP A 34 10.566 42.120 61.189 1.00 23.59 C ATOM 575 OD1 ASP A 34 10.607 42.099 62.432 1.00 19.63 O ATOM 576 OD2 ASP A 34 11.611 42.060 60.483 1.00 23.35 O ATOM 577 HA ASP A 34 8.096 42.237 62.387 1.00 0.00 H ATOM 578 HB2 ASP A 34 9.174 41.613 59.608 1.00 0.00 H ATOM 579 HB3 ASP A 34 8.982 43.261 60.249 1.00 0.00 H ATOM 580 H ASP A 34 8.855 39.696 61.226 1.00 0.00 H ATOM 581 N MET A 35 6.204 41.203 59.881 1.00 18.14 N ATOM 582 CA MET A 35 4.923 41.430 59.203 1.00 16.80 C ATOM 583 C MET A 35 3.755 41.456 60.203 1.00 15.84 C ATOM 584 O MET A 35 2.944 42.346 60.180 1.00 19.53 O ATOM 585 CB MET A 35 4.650 40.317 58.167 1.00 18.17 C ATOM 586 CG MET A 35 5.426 40.471 56.855 1.00 17.68 C ATOM 587 SD MET A 35 5.128 39.084 55.704 1.00 19.73 S ATOM 588 CE MET A 35 3.336 39.336 55.309 1.00 13.21 C ATOM 589 HA MET A 35 4.994 42.397 58.705 1.00 0.00 H ATOM 590 HB2 MET A 35 4.921 39.361 58.614 1.00 0.00 H ATOM 591 HB3 MET A 35 3.585 40.319 57.936 1.00 0.00 H ATOM 592 HG2 MET A 35 6.491 40.516 57.081 1.00 0.00 H ATOM 593 HG3 MET A 35 5.119 41.399 56.373 1.00 0.00 H ATOM 594 HE1 MET A 35 2.751 39.275 56.227 1.00 0.00 H ATOM 595 HE2 MET A 35 3.200 40.317 54.854 1.00 0.00 H ATOM 596 HE3 MET A 35 3.006 38.563 54.614 1.00 0.00 H ATOM 597 H MET A 35 6.753 40.345 59.669 1.00 0.00 H ATOM 598 N HIS A 36 3.720 40.501 61.123 1.00 19.24 N ATOM 599 CA HIS A 36 2.595 40.448 62.026 1.00 18.50 C ATOM 600 C HIS A 36 2.494 41.729 62.880 1.00 20.61 C ATOM 601 O HIS A 36 1.403 42.302 62.989 1.00 19.38 O ATOM 602 CB HIS A 36 2.668 39.220 62.945 1.00 19.82 C ATOM 603 CG HIS A 36 1.516 39.141 63.903 1.00 21.62 C ATOM 604 ND1 HIS A 36 1.649 39.409 65.252 1.00 21.07 N ATOM 605 CD2 HIS A 36 0.223 38.755 63.720 1.00 22.46 C ATOM 606 CE1 HIS A 36 0.490 39.165 65.865 1.00 24.62 C ATOM 607 NE2 HIS A 36 -0.392 38.774 64.958 1.00 22.64 N ATOM 608 HA HIS A 36 1.701 40.369 61.408 1.00 0.00 H ATOM 609 HB2 HIS A 36 2.670 38.322 62.327 1.00 0.00 H ATOM 610 HB3 HIS A 36 3.594 39.268 63.517 1.00 0.00 H ATOM 611 HD2 HIS A 36 -0.241 38.482 62.772 1.00 0.00 H ATOM 612 HE1 HIS A 36 0.301 39.270 66.933 1.00 0.00 H ATOM 613 H HIS A 36 4.488 39.804 61.192 1.00 0.00 H ATOM 614 N GLU A 37 3.584 42.170 63.503 1.00 18.20 N ATOM 615 CA GLU A 37 3.520 43.414 64.337 1.00 20.81 C ATOM 616 C GLU A 37 3.272 44.667 63.469 1.00 20.95 C ATOM 617 O GLU A 37 2.452 45.526 63.822 1.00 21.87 O ATOM 618 CB GLU A 37 4.800 43.600 65.194 1.00 22.02 C ATOM 619 CG GLU A 37 5.227 42.301 65.942 1.00 21.87 C ATOM 620 CD GLU A 37 4.071 41.662 66.672 1.00 22.50 C ATOM 621 OE1 GLU A 37 3.335 42.388 67.367 1.00 23.20 O ATOM 622 OE2 GLU A 37 3.913 40.424 66.612 1.00 21.21 O ATOM 623 HA GLU A 37 2.674 43.293 65.014 1.00 0.00 H ATOM 624 HB2 GLU A 37 5.615 43.908 64.539 1.00 0.00 H ATOM 625 HB3 GLU A 37 4.614 44.381 65.932 1.00 0.00 H ATOM 626 HG2 GLU A 37 5.621 41.590 65.216 1.00 0.00 H ATOM 627 HG3 GLU A 37 6.005 42.550 66.664 1.00 0.00 H ATOM 628 H GLU A 37 4.481 41.651 63.411 1.00 0.00 H ATOM 629 N THR A 38 3.972 44.762 62.342 1.00 20.72 N ATOM 630 CA THR A 38 3.773 45.859 61.395 1.00 20.31 C ATOM 631 C THR A 38 2.257 45.949 61.040 1.00 21.03 C ATOM 632 O THR A 38 1.649 47.011 61.014 1.00 18.23 O ATOM 633 CB THR A 38 4.528 45.594 60.074 1.00 24.29 C ATOM 634 OG1 THR A 38 5.948 45.620 60.320 1.00 19.54 O ATOM 635 CG2 THR A 38 4.163 46.678 59.033 1.00 20.46 C ATOM 636 HA THR A 38 4.141 46.775 61.857 1.00 0.00 H ATOM 637 HB THR A 38 4.242 44.616 59.686 1.00 0.00 H ATOM 638 HG1 THR A 38 6.180 44.920 60.980 1.00 0.00 H ATOM 639 HG23 THR A 38 3.089 46.656 58.849 1.00 0.00 H ATOM 640 HG21 THR A 38 4.447 47.658 59.416 1.00 0.00 H ATOM 641 HG22 THR A 38 4.696 46.481 58.103 1.00 0.00 H ATOM 642 H THR A 38 4.683 44.034 62.127 1.00 0.00 H ATOM 643 N MET A 39 1.663 44.808 60.777 1.00 18.57 N ATOM 644 CA MET A 39 0.253 44.740 60.373 1.00 18.14 C ATOM 645 C MET A 39 -0.651 45.277 61.467 1.00 18.23 C ATOM 646 O MET A 39 -1.607 46.071 61.195 1.00 19.05 O ATOM 647 CB MET A 39 -0.100 43.259 60.123 1.00 20.13 C ATOM 648 CG MET A 39 -1.589 42.927 59.975 1.00 20.69 C ATOM 649 SD MET A 39 -1.725 41.104 59.908 1.00 24.03 S ATOM 650 CE MET A 39 -2.240 40.735 61.514 1.00 22.97 C ATOM 651 HA MET A 39 0.107 45.342 59.476 1.00 0.00 H ATOM 652 HB2 MET A 39 0.402 42.949 59.206 1.00 0.00 H ATOM 653 HB3 MET A 39 0.287 42.680 60.961 1.00 0.00 H ATOM 654 HG2 MET A 39 -1.982 43.366 59.058 1.00 0.00 H ATOM 655 HG3 MET A 39 -2.146 43.313 60.829 1.00 0.00 H ATOM 656 HE1 MET A 39 -1.491 41.085 62.224 1.00 0.00 H ATOM 657 HE2 MET A 39 -3.190 41.231 61.712 1.00 0.00 H ATOM 658 HE3 MET A 39 -2.363 39.657 61.616 1.00 0.00 H ATOM 659 H MET A 39 2.208 43.926 60.857 1.00 0.00 H ATOM 660 N LEU A 40 -0.415 44.728 62.683 1.00 16.17 N ATOM 661 CA LEU A 40 -1.193 45.077 63.875 1.00 18.00 C ATOM 662 C LEU A 40 -1.029 46.567 64.184 1.00 19.93 C ATOM 663 O LEU A 40 -2.022 47.253 64.460 1.00 17.36 O ATOM 664 CB LEU A 40 -0.786 44.232 65.079 1.00 18.04 C ATOM 665 CG LEU A 40 -1.206 42.746 64.952 1.00 18.43 C ATOM 666 CD1 LEU A 40 -0.893 42.014 66.230 1.00 18.24 C ATOM 667 CD2 LEU A 40 -2.726 42.675 64.668 1.00 21.50 C ATOM 668 HA LEU A 40 -2.242 44.866 63.669 1.00 0.00 H ATOM 669 HB2 LEU A 40 0.298 44.278 65.184 1.00 0.00 H ATOM 670 HB3 LEU A 40 -1.255 44.650 65.970 1.00 0.00 H ATOM 671 HG LEU A 40 -0.656 42.279 64.135 1.00 0.00 H ATOM 672 HD21 LEU A 40 -3.270 43.143 65.489 1.00 0.00 H ATOM 673 HD22 LEU A 40 -2.946 43.201 63.739 1.00 0.00 H ATOM 674 HD23 LEU A 40 -3.029 41.632 64.577 1.00 0.00 H ATOM 675 HD11 LEU A 40 0.178 42.070 66.426 1.00 0.00 H ATOM 676 HD12 LEU A 40 -1.439 42.474 67.054 1.00 0.00 H ATOM 677 HD13 LEU A 40 -1.191 40.970 66.132 1.00 0.00 H ATOM 678 H LEU A 40 0.350 44.030 62.774 1.00 0.00 H ATOM 679 N ILE A 41 0.204 47.071 64.082 1.00 17.89 N ATOM 680 CA ILE A 41 0.456 48.501 64.378 1.00 17.87 C ATOM 681 C ILE A 41 -0.366 49.371 63.405 1.00 18.30 C ATOM 682 O ILE A 41 -0.863 50.465 63.774 1.00 20.73 O ATOM 683 CB ILE A 41 2.000 48.863 64.271 1.00 18.98 C ATOM 684 CG1 ILE A 41 2.748 48.309 65.488 1.00 15.66 C ATOM 685 CG2 ILE A 41 2.221 50.453 64.196 1.00 20.10 C ATOM 686 CD1 ILE A 41 4.234 48.135 65.291 1.00 17.80 C ATOM 687 HA ILE A 41 0.149 48.699 65.405 1.00 0.00 H ATOM 688 HB ILE A 41 2.388 48.414 63.357 1.00 0.00 H ATOM 689 HG12 ILE A 41 2.594 48.994 66.322 1.00 0.00 H ATOM 690 HG13 ILE A 41 2.322 47.336 65.735 1.00 0.00 H ATOM 691 HD11 ILE A 41 4.412 47.441 64.469 1.00 0.00 H ATOM 692 HD12 ILE A 41 4.684 49.100 65.057 1.00 0.00 H ATOM 693 HD13 ILE A 41 4.676 47.739 66.205 1.00 0.00 H ATOM 694 HG21 ILE A 41 1.709 50.849 63.319 1.00 0.00 H ATOM 695 HG22 ILE A 41 1.816 50.918 65.095 1.00 0.00 H ATOM 696 HG23 ILE A 41 3.287 50.667 64.123 1.00 0.00 H ATOM 697 H ILE A 41 0.992 46.456 63.793 1.00 0.00 H ATOM 698 N ALA A 42 -0.511 48.894 62.168 1.00 21.04 N ATOM 699 CA ALA A 42 -1.253 49.618 61.125 1.00 20.25 C ATOM 700 C ALA A 42 -2.738 49.267 61.148 1.00 20.51 C ATOM 701 O ALA A 42 -3.452 49.675 60.233 1.00 19.19 O ATOM 702 CB ALA A 42 -0.671 49.304 59.698 1.00 17.05 C ATOM 703 HA ALA A 42 -1.139 50.681 61.336 1.00 0.00 H ATOM 704 HB1 ALA A 42 0.375 49.608 59.659 1.00 0.00 H ATOM 705 HB2 ALA A 42 -0.747 48.234 59.503 1.00 0.00 H ATOM 706 HB3 ALA A 42 -1.239 49.853 58.947 1.00 0.00 H ATOM 707 H ALA A 42 -0.083 47.976 61.932 1.00 0.00 H ATOM 708 N ASP A 43 -3.209 48.566 62.184 1.00 20.69 N ATOM 709 CA ASP A 43 -4.637 48.185 62.286 1.00 20.42 C ATOM 710 C ASP A 43 -5.168 47.237 61.221 1.00 21.68 C ATOM 711 O ASP A 43 -6.365 47.274 60.911 1.00 21.83 O ATOM 712 CB ASP A 43 -5.562 49.424 62.274 1.00 24.26 C ATOM 713 CG ASP A 43 -5.245 50.383 63.383 1.00 31.82 C ATOM 714 OD1 ASP A 43 -5.170 49.949 64.548 1.00 33.73 O ATOM 715 OD2 ASP A 43 -5.060 51.590 63.093 1.00 37.62 O ATOM 716 HA ASP A 43 -4.657 47.652 63.237 1.00 0.00 H ATOM 717 HB2 ASP A 43 -5.445 49.939 61.321 1.00 0.00 H ATOM 718 HB3 ASP A 43 -6.595 49.092 62.382 1.00 0.00 H ATOM 719 H ASP A 43 -2.554 48.280 62.940 1.00 0.00 H ATOM 720 N GLY A 44 -4.313 46.419 60.622 1.00 21.17 N ATOM 721 CA GLY A 44 -4.771 45.472 59.583 1.00 20.09 C ATOM 722 C GLY A 44 -5.180 44.158 60.256 1.00 20.42 C ATOM 723 O GLY A 44 -4.872 43.997 61.439 1.00 21.65 O ATOM 724 HA3 GLY A 44 -3.963 45.285 58.876 1.00 0.00 H ATOM 725 HA2 GLY A 44 -5.625 45.894 59.054 1.00 0.00 H ATOM 726 H GLY A 44 -3.308 46.444 60.887 1.00 0.00 H ATOM 727 N VAL A 45 -5.952 43.299 59.573 1.00 18.33 N ATOM 728 CA VAL A 45 -6.285 41.995 60.103 1.00 20.37 C ATOM 729 C VAL A 45 -5.487 40.976 59.263 1.00 20.07 C ATOM 730 O VAL A 45 -5.479 39.797 59.526 1.00 20.99 O ATOM 731 CB VAL A 45 -7.846 41.696 60.091 1.00 18.53 C ATOM 732 CG1 VAL A 45 -8.547 42.682 61.044 1.00 21.64 C ATOM 733 CG2 VAL A 45 -8.433 41.859 58.724 1.00 20.40 C ATOM 734 HA VAL A 45 -6.016 41.934 61.157 1.00 0.00 H ATOM 735 HB VAL A 45 -7.994 40.663 60.407 1.00 0.00 H ATOM 736 HG11 VAL A 45 -8.153 42.553 62.052 1.00 0.00 H ATOM 737 HG12 VAL A 45 -8.363 43.703 60.708 1.00 0.00 H ATOM 738 HG13 VAL A 45 -9.619 42.486 61.044 1.00 0.00 H ATOM 739 HG21 VAL A 45 -8.277 42.882 58.383 1.00 0.00 H ATOM 740 HG22 VAL A 45 -7.946 41.168 58.036 1.00 0.00 H ATOM 741 HG23 VAL A 45 -9.501 41.645 58.761 1.00 0.00 H ATOM 742 H VAL A 45 -6.320 43.577 58.641 1.00 0.00 H ATOM 743 N GLY A 46 -4.784 41.461 58.266 1.00 19.51 N ATOM 744 CA GLY A 46 -3.945 40.595 57.452 1.00 19.07 C ATOM 745 C GLY A 46 -2.821 41.401 56.767 1.00 19.57 C ATOM 746 O GLY A 46 -2.846 42.639 56.759 1.00 16.54 O ATOM 747 HA3 GLY A 46 -4.559 40.118 56.688 1.00 0.00 H ATOM 748 HA2 GLY A 46 -3.499 39.830 58.087 1.00 0.00 H ATOM 749 H GLY A 46 -4.827 42.478 58.055 1.00 0.00 H ATOM 750 N LEU A 47 -1.832 40.700 56.216 1.00 19.56 N ATOM 751 CA LEU A 47 -0.743 41.327 55.451 1.00 20.62 C ATOM 752 C LEU A 47 -0.052 40.253 54.602 1.00 17.71 C ATOM 753 O LEU A 47 0.107 39.095 55.035 1.00 17.29 O ATOM 754 CB LEU A 47 0.267 42.004 56.385 1.00 17.01 C ATOM 755 CG LEU A 47 1.224 42.946 55.649 1.00 20.55 C ATOM 756 CD1 LEU A 47 0.462 44.179 55.200 1.00 15.90 C ATOM 757 CD2 LEU A 47 2.378 43.397 56.540 1.00 13.94 C ATOM 758 HA LEU A 47 -1.159 42.098 54.803 1.00 0.00 H ATOM 759 HB2 LEU A 47 -0.281 42.579 57.132 1.00 0.00 H ATOM 760 HB3 LEU A 47 0.853 41.231 56.882 1.00 0.00 H ATOM 761 HG LEU A 47 1.634 42.401 54.799 1.00 0.00 H ATOM 762 HD21 LEU A 47 1.981 43.923 57.408 1.00 0.00 H ATOM 763 HD22 LEU A 47 2.943 42.525 56.869 1.00 0.00 H ATOM 764 HD23 LEU A 47 3.031 44.063 55.977 1.00 0.00 H ATOM 765 HD11 LEU A 47 -0.346 43.882 54.532 1.00 0.00 H ATOM 766 HD12 LEU A 47 0.047 44.685 56.071 1.00 0.00 H ATOM 767 HD13 LEU A 47 1.140 44.852 54.675 1.00 0.00 H ATOM 768 H LEU A 47 -1.829 39.666 56.331 1.00 0.00 H ATOM 769 N ALA A 48 0.292 40.622 53.373 1.00 15.83 N ATOM 770 CA ALA A 48 0.935 39.714 52.437 1.00 15.66 C ATOM 771 C ALA A 48 2.371 40.220 52.181 1.00 17.24 C ATOM 772 O ALA A 48 2.618 41.432 52.216 1.00 20.90 O ATOM 773 CB ALA A 48 0.137 39.686 51.141 1.00 12.85 C ATOM 774 HA ALA A 48 0.974 38.703 52.841 1.00 0.00 H ATOM 775 HB1 ALA A 48 -0.877 39.343 51.347 1.00 0.00 H ATOM 776 HB2 ALA A 48 0.103 40.689 50.715 1.00 0.00 H ATOM 777 HB3 ALA A 48 0.615 39.006 50.436 1.00 0.00 H ATOM 778 H ALA A 48 0.094 41.597 53.069 1.00 0.00 H ATOM 779 N ALA A 49 3.309 39.327 51.905 1.00 17.21 N ATOM 780 CA ALA A 49 4.732 39.743 51.693 1.00 15.85 C ATOM 781 C ALA A 49 4.945 40.825 50.598 1.00 20.17 C ATOM 782 O ALA A 49 5.756 41.753 50.790 1.00 19.15 O ATOM 783 CB ALA A 49 5.590 38.527 51.418 1.00 19.08 C ATOM 784 HA ALA A 49 5.039 40.223 52.622 1.00 0.00 H ATOM 785 HB1 ALA A 49 5.537 37.847 52.268 1.00 0.00 H ATOM 786 HB2 ALA A 49 5.226 38.022 50.523 1.00 0.00 H ATOM 787 HB3 ALA A 49 6.623 38.840 51.265 1.00 0.00 H ATOM 788 H ALA A 49 3.054 38.321 51.834 1.00 0.00 H ATOM 789 N PRO A 50 4.187 40.778 49.465 1.00 19.69 N ATOM 790 CA PRO A 50 4.390 41.831 48.436 1.00 20.06 C ATOM 791 C PRO A 50 4.053 43.226 48.992 1.00 21.31 C ATOM 792 O PRO A 50 4.594 44.256 48.523 1.00 19.32 O ATOM 793 CB PRO A 50 3.454 41.415 47.269 1.00 23.60 C ATOM 794 CG PRO A 50 2.537 40.353 47.924 1.00 21.32 C ATOM 795 CD PRO A 50 3.309 39.704 48.988 1.00 19.11 C ATOM 796 HA PRO A 50 5.427 41.907 48.109 1.00 0.00 H ATOM 797 HD3 PRO A 50 2.656 39.349 49.785 1.00 0.00 H ATOM 798 HD2 PRO A 50 3.889 38.868 48.597 1.00 0.00 H ATOM 799 HG3 PRO A 50 2.231 39.615 47.182 1.00 0.00 H ATOM 800 HG2 PRO A 50 1.653 40.832 48.344 1.00 0.00 H ATOM 801 HB2 PRO A 50 2.875 42.265 46.908 1.00 0.00 H ATOM 802 HB3 PRO A 50 4.022 40.987 46.443 1.00 0.00 H ATOM 803 N GLN A 51 3.161 43.284 49.983 1.00 19.10 N ATOM 804 CA GLN A 51 2.872 44.603 50.564 1.00 19.38 C ATOM 805 C GLN A 51 4.110 45.167 51.336 1.00 20.60 C ATOM 806 O GLN A 51 4.138 46.366 51.679 1.00 24.35 O ATOM 807 CB GLN A 51 1.632 44.529 51.465 1.00 15.60 C ATOM 808 CG GLN A 51 0.322 44.302 50.659 1.00 15.66 C ATOM 809 CD GLN A 51 -0.904 44.079 51.570 1.00 21.09 C ATOM 810 OE1 GLN A 51 -1.076 42.997 52.151 1.00 15.79 O ATOM 811 NE2 GLN A 51 -1.731 45.118 51.730 1.00 18.04 N ATOM 812 HA GLN A 51 2.658 45.297 49.751 1.00 0.00 H ATOM 813 HB2 GLN A 51 1.758 43.704 52.167 1.00 0.00 H ATOM 814 HB3 GLN A 51 1.545 45.464 52.018 1.00 0.00 H ATOM 815 HG2 GLN A 51 0.139 45.177 50.035 1.00 0.00 H ATOM 816 HG3 GLN A 51 0.450 43.425 50.024 1.00 0.00 H ATOM 817 HE22 GLN A 51 -1.551 46.009 51.224 1.00 0.00 H ATOM 818 HE21 GLN A 51 -2.554 45.035 52.360 1.00 0.00 H ATOM 819 H GLN A 51 2.687 42.426 50.332 1.00 0.00 H ATOM 820 N VAL A 52 5.133 44.360 51.626 1.00 21.50 N ATOM 821 CA VAL A 52 6.340 44.940 52.301 1.00 21.10 C ATOM 822 C VAL A 52 7.553 44.800 51.362 1.00 23.22 C ATOM 823 O VAL A 52 8.678 44.744 51.803 1.00 24.45 O ATOM 824 CB VAL A 52 6.657 44.330 53.667 1.00 20.83 C ATOM 825 CG1 VAL A 52 5.601 44.744 54.674 1.00 19.96 C ATOM 826 CG2 VAL A 52 6.635 42.821 53.597 1.00 22.48 C ATOM 827 HA VAL A 52 6.113 45.987 52.500 1.00 0.00 H ATOM 828 HB VAL A 52 7.645 44.682 53.964 1.00 0.00 H ATOM 829 HG11 VAL A 52 5.588 45.831 54.759 1.00 0.00 H ATOM 830 HG12 VAL A 52 4.625 44.392 54.340 1.00 0.00 H ATOM 831 HG13 VAL A 52 5.834 44.305 55.644 1.00 0.00 H ATOM 832 HG21 VAL A 52 5.646 42.488 53.283 1.00 0.00 H ATOM 833 HG22 VAL A 52 7.380 42.481 52.878 1.00 0.00 H ATOM 834 HG23 VAL A 52 6.863 42.410 54.580 1.00 0.00 H ATOM 835 H VAL A 52 5.094 43.348 51.388 1.00 0.00 H ATOM 836 N GLY A 53 7.239 44.688 50.070 1.00 21.42 N ATOM 837 CA GLY A 53 8.219 44.609 49.019 1.00 23.80 C ATOM 838 C GLY A 53 8.843 43.252 48.817 1.00 23.45 C ATOM 839 O GLY A 53 9.870 43.196 48.174 1.00 24.48 O ATOM 840 HA3 GLY A 53 9.017 45.315 49.249 1.00 0.00 H ATOM 841 HA2 GLY A 53 7.736 44.900 48.086 1.00 0.00 H ATOM 842 H GLY A 53 6.233 44.656 49.809 1.00 0.00 H ATOM 843 N VAL A 54 8.266 42.175 49.343 1.00 21.66 N ATOM 844 CA VAL A 54 8.879 40.841 49.178 1.00 19.37 C ATOM 845 C VAL A 54 7.969 39.935 48.324 1.00 21.92 C ATOM 846 O VAL A 54 6.866 39.618 48.751 1.00 20.44 O ATOM 847 CB VAL A 54 9.090 40.198 50.558 1.00 18.87 C ATOM 848 CG1 VAL A 54 9.676 38.833 50.415 1.00 20.82 C ATOM 849 CG2 VAL A 54 10.058 41.009 51.372 1.00 20.73 C ATOM 850 HA VAL A 54 9.839 40.955 48.674 1.00 0.00 H ATOM 851 HB VAL A 54 8.117 40.151 51.047 1.00 0.00 H ATOM 852 HG11 VAL A 54 9.000 38.208 49.832 1.00 0.00 H ATOM 853 HG12 VAL A 54 10.637 38.903 49.906 1.00 0.00 H ATOM 854 HG13 VAL A 54 9.818 38.395 51.403 1.00 0.00 H ATOM 855 HG21 VAL A 54 11.015 41.058 50.853 1.00 0.00 H ATOM 856 HG22 VAL A 54 9.664 42.016 51.506 1.00 0.00 H ATOM 857 HG23 VAL A 54 10.195 40.539 52.346 1.00 0.00 H ATOM 858 H VAL A 54 7.377 42.273 49.874 1.00 0.00 H ATOM 859 N SER A 55 8.413 39.549 47.121 1.00 18.64 N ATOM 860 CA SER A 55 7.580 38.714 46.231 1.00 18.48 C ATOM 861 C SER A 55 7.662 37.233 46.496 1.00 16.83 C ATOM 862 O SER A 55 8.084 36.462 45.600 1.00 15.50 O ATOM 863 CB SER A 55 7.908 38.962 44.705 1.00 18.25 C ATOM 864 OG SER A 55 7.581 40.286 44.384 1.00 23.00 O ATOM 865 HA SER A 55 6.564 39.035 46.461 1.00 0.00 H ATOM 866 HB2 SER A 55 7.323 38.280 44.088 1.00 0.00 H ATOM 867 HB3 SER A 55 8.970 38.792 44.526 1.00 0.00 H ATOM 868 HG SER A 55 6.617 40.436 44.550 1.00 0.00 H ATOM 869 H SER A 55 9.360 39.842 46.808 1.00 0.00 H ATOM 870 N LEU A 56 7.305 36.852 47.731 1.00 15.86 N ATOM 871 CA LEU A 56 7.275 35.427 48.178 1.00 13.89 C ATOM 872 C LEU A 56 5.833 35.135 48.634 1.00 13.65 C ATOM 873 O LEU A 56 5.146 36.032 49.126 1.00 13.18 O ATOM 874 CB LEU A 56 8.199 35.212 49.379 1.00 11.15 C ATOM 875 CG LEU A 56 9.706 35.360 48.957 1.00 18.19 C ATOM 876 CD1 LEU A 56 10.590 35.154 50.230 1.00 16.26 C ATOM 877 CD2 LEU A 56 10.065 34.315 47.825 1.00 15.37 C ATOM 878 HA LEU A 56 7.600 34.778 47.365 1.00 0.00 H ATOM 879 HB2 LEU A 56 7.968 35.952 50.145 1.00 0.00 H ATOM 880 HB3 LEU A 56 8.037 34.212 49.781 1.00 0.00 H ATOM 881 HG LEU A 56 9.892 36.352 48.546 1.00 0.00 H ATOM 882 HD21 LEU A 56 9.897 33.305 48.198 1.00 0.00 H ATOM 883 HD22 LEU A 56 9.432 34.492 46.955 1.00 0.00 H ATOM 884 HD23 LEU A 56 11.112 34.431 47.544 1.00 0.00 H ATOM 885 HD11 LEU A 56 10.333 35.907 50.975 1.00 0.00 H ATOM 886 HD12 LEU A 56 10.410 34.160 50.639 1.00 0.00 H ATOM 887 HD13 LEU A 56 11.642 35.252 49.960 1.00 0.00 H ATOM 888 H LEU A 56 7.035 37.588 48.414 1.00 0.00 H ATOM 889 N GLN A 57 5.421 33.887 48.500 1.00 14.63 N ATOM 890 CA GLN A 57 4.054 33.488 48.851 1.00 17.24 C ATOM 891 C GLN A 57 3.992 33.301 50.352 1.00 14.84 C ATOM 892 O GLN A 57 3.999 32.173 50.808 1.00 14.23 O ATOM 893 CB GLN A 57 3.735 32.185 48.151 1.00 14.25 C ATOM 894 CG GLN A 57 3.568 32.427 46.659 1.00 14.26 C ATOM 895 CD GLN A 57 3.110 31.199 45.949 1.00 19.36 C ATOM 896 OE1 GLN A 57 2.406 30.356 46.522 1.00 17.75 O ATOM 897 NE2 GLN A 57 3.486 31.084 44.670 1.00 17.15 N ATOM 898 HA GLN A 57 3.332 34.244 48.544 1.00 0.00 H ATOM 899 HB2 GLN A 57 4.548 31.478 48.314 1.00 0.00 H ATOM 900 HB3 GLN A 57 2.811 31.773 48.556 1.00 0.00 H ATOM 901 HG2 GLN A 57 2.832 33.217 46.509 1.00 0.00 H ATOM 902 HG3 GLN A 57 4.525 32.740 46.242 1.00 0.00 H ATOM 903 HE22 GLN A 57 4.078 31.819 44.234 1.00 0.00 H ATOM 904 HE21 GLN A 57 3.186 30.259 44.112 1.00 0.00 H ATOM 905 H GLN A 57 6.082 33.170 48.137 1.00 0.00 H ATOM 906 N VAL A 58 3.964 34.431 51.059 1.00 17.54 N ATOM 907 CA VAL A 58 3.964 34.517 52.558 1.00 15.95 C ATOM 908 C VAL A 58 2.932 35.515 53.015 1.00 18.14 C ATOM 909 O VAL A 58 2.904 36.666 52.557 1.00 17.27 O ATOM 910 CB VAL A 58 5.376 35.005 53.066 1.00 19.08 C ATOM 911 CG1 VAL A 58 5.408 35.098 54.596 1.00 15.43 C ATOM 912 CG2 VAL A 58 6.467 34.003 52.624 1.00 11.60 C ATOM 913 HA VAL A 58 3.737 33.530 52.961 1.00 0.00 H ATOM 914 HB VAL A 58 5.561 35.990 52.638 1.00 0.00 H ATOM 915 HG11 VAL A 58 4.651 35.807 54.932 1.00 0.00 H ATOM 916 HG12 VAL A 58 5.203 34.116 55.023 1.00 0.00 H ATOM 917 HG13 VAL A 58 6.393 35.437 54.918 1.00 0.00 H ATOM 918 HG21 VAL A 58 6.251 33.022 53.047 1.00 0.00 H ATOM 919 HG22 VAL A 58 6.478 33.936 51.536 1.00 0.00 H ATOM 920 HG23 VAL A 58 7.439 34.346 52.978 1.00 0.00 H ATOM 921 H VAL A 58 3.940 35.326 50.529 1.00 0.00 H ATOM 922 N ALA A 59 2.088 35.099 53.942 1.00 17.86 N ATOM 923 CA ALA A 59 1.088 36.011 54.445 1.00 18.40 C ATOM 924 C ALA A 59 0.706 35.650 55.869 1.00 16.56 C ATOM 925 O ALA A 59 1.018 34.547 56.353 1.00 14.89 O ATOM 926 CB ALA A 59 -0.118 35.917 53.561 1.00 18.51 C ATOM 927 HA ALA A 59 1.484 37.026 54.445 1.00 0.00 H ATOM 928 HB1 ALA A 59 0.158 36.188 52.542 1.00 0.00 H ATOM 929 HB2 ALA A 59 -0.500 34.896 53.576 1.00 0.00 H ATOM 930 HB3 ALA A 59 -0.887 36.599 53.924 1.00 0.00 H ATOM 931 H ALA A 59 2.143 34.126 54.305 1.00 0.00 H ATOM 932 N VAL A 60 0.113 36.599 56.574 1.00 17.70 N ATOM 933 CA VAL A 60 -0.362 36.289 57.922 1.00 19.21 C ATOM 934 C VAL A 60 -1.770 36.965 58.168 1.00 18.19 C ATOM 935 O VAL A 60 -2.049 38.043 57.615 1.00 23.86 O ATOM 936 CB VAL A 60 0.618 36.772 58.970 1.00 18.09 C ATOM 937 CG1 VAL A 60 0.823 38.307 58.788 1.00 17.36 C ATOM 938 CG2 VAL A 60 0.045 36.545 60.378 1.00 17.44 C ATOM 939 HA VAL A 60 -0.454 35.206 58.005 1.00 0.00 H ATOM 940 HB VAL A 60 1.555 36.226 58.857 1.00 0.00 H ATOM 941 HG11 VAL A 60 1.217 38.504 57.791 1.00 0.00 H ATOM 942 HG12 VAL A 60 -0.133 38.817 58.909 1.00 0.00 H ATOM 943 HG13 VAL A 60 1.527 38.670 59.537 1.00 0.00 H ATOM 944 HG21 VAL A 60 -0.890 37.096 60.482 1.00 0.00 H ATOM 945 HG22 VAL A 60 -0.141 35.481 60.526 1.00 0.00 H ATOM 946 HG23 VAL A 60 0.760 36.897 61.121 1.00 0.00 H ATOM 947 H VAL A 60 -0.014 37.551 56.176 1.00 0.00 H ATOM 948 N VAL A 61 -2.645 36.318 58.910 1.00 16.77 N ATOM 949 CA VAL A 61 -3.972 36.930 59.227 1.00 16.99 C ATOM 950 C VAL A 61 -4.088 36.780 60.733 1.00 18.87 C ATOM 951 O VAL A 61 -3.502 35.844 61.323 1.00 18.81 O ATOM 952 CB VAL A 61 -5.280 36.234 58.527 1.00 18.21 C ATOM 953 CG1 VAL A 61 -5.239 36.408 57.032 1.00 17.57 C ATOM 954 CG2 VAL A 61 -5.432 34.666 58.874 1.00 19.57 C ATOM 955 HA VAL A 61 -3.986 37.949 58.841 1.00 0.00 H ATOM 956 HB VAL A 61 -6.148 36.746 58.943 1.00 0.00 H ATOM 957 HG11 VAL A 61 -5.234 37.471 56.791 1.00 0.00 H ATOM 958 HG12 VAL A 61 -4.337 35.940 56.638 1.00 0.00 H ATOM 959 HG13 VAL A 61 -6.117 35.938 56.589 1.00 0.00 H ATOM 960 HG21 VAL A 61 -4.549 34.131 58.525 1.00 0.00 H ATOM 961 HG22 VAL A 61 -5.531 34.542 59.952 1.00 0.00 H ATOM 962 HG23 VAL A 61 -6.318 34.270 58.378 1.00 0.00 H ATOM 963 H VAL A 61 -2.411 35.374 59.278 1.00 0.00 H ATOM 964 N ASP A 62 -4.844 37.682 61.360 1.00 19.06 N ATOM 965 CA ASP A 62 -5.029 37.645 62.825 1.00 18.91 C ATOM 966 C ASP A 62 -6.276 38.483 63.015 1.00 23.33 C ATOM 967 O ASP A 62 -6.200 39.715 63.119 1.00 25.22 O ATOM 968 CB ASP A 62 -3.856 38.326 63.501 1.00 19.72 C ATOM 969 CG ASP A 62 -3.829 38.087 65.000 1.00 21.45 C ATOM 970 OD1 ASP A 62 -4.872 37.771 65.579 1.00 20.04 O ATOM 971 OD2 ASP A 62 -2.756 38.245 65.582 1.00 22.57 O ATOM 972 HA ASP A 62 -5.103 36.638 63.237 1.00 0.00 H ATOM 973 HB2 ASP A 62 -2.932 37.942 63.069 1.00 0.00 H ATOM 974 HB3 ASP A 62 -3.922 39.399 63.319 1.00 0.00 H ATOM 975 H ASP A 62 -5.313 38.427 60.806 1.00 0.00 H ATOM 976 N VAL A 63 -7.425 37.852 63.002 1.00 22.79 N ATOM 977 CA VAL A 63 -8.653 38.616 63.093 1.00 31.87 C ATOM 978 C VAL A 63 -9.305 38.499 64.483 1.00 37.22 C ATOM 979 O VAL A 63 -10.100 39.345 64.849 1.00 43.01 O ATOM 980 CB VAL A 63 -9.711 38.158 62.017 1.00 29.95 C ATOM 981 CG1 VAL A 63 -9.105 38.110 60.604 1.00 23.20 C ATOM 982 CG2 VAL A 63 -10.280 36.856 62.406 1.00 29.72 C ATOM 983 HA VAL A 63 -8.367 39.652 62.910 1.00 0.00 H ATOM 984 HB VAL A 63 -10.513 38.896 61.984 1.00 0.00 H ATOM 985 HG11 VAL A 63 -8.745 39.102 60.330 1.00 0.00 H ATOM 986 HG12 VAL A 63 -8.274 37.404 60.590 1.00 0.00 H ATOM 987 HG13 VAL A 63 -9.867 37.790 59.894 1.00 0.00 H ATOM 988 HG21 VAL A 63 -9.482 36.116 62.468 1.00 0.00 H ATOM 989 HG22 VAL A 63 -10.767 36.949 63.377 1.00 0.00 H ATOM 990 HG23 VAL A 63 -11.011 36.543 61.660 1.00 0.00 H ATOM 991 H VAL A 63 -7.455 36.815 62.927 1.00 0.00 H ATOM 992 N ASP A 64 -8.968 37.451 65.216 1.00 41.82 N ATOM 993 CA ASP A 64 -9.515 37.149 66.553 1.00 47.08 C ATOM 994 C ASP A 64 -8.450 36.564 67.443 1.00 49.93 C ATOM 995 O ASP A 64 -7.583 35.805 66.977 1.00 50.57 O ATOM 996 CB ASP A 64 -10.601 36.084 66.514 1.00 43.85 C ATOM 997 CG ASP A 64 -11.859 36.576 65.930 1.00 44.58 C ATOM 998 OD1 ASP A 64 -12.113 37.790 66.043 1.00 42.56 O ATOM 999 OD2 ASP A 64 -12.600 35.749 65.369 1.00 44.09 O ATOM 1000 HA ASP A 64 -9.906 38.098 66.919 1.00 0.00 H ATOM 1001 HB2 ASP A 64 -10.245 35.244 65.918 1.00 0.00 H ATOM 1002 HB3 ASP A 64 -10.797 35.748 67.532 1.00 0.00 H ATOM 1003 H ASP A 64 -8.267 36.792 64.822 1.00 0.00 H ATOM 1004 N ASP A 65 -8.593 36.838 68.737 1.00 54.83 N ATOM 1005 CA ASP A 65 -7.642 36.371 69.763 1.00 59.03 C ATOM 1006 C ASP A 65 -7.580 34.852 69.947 1.00 59.49 C ATOM 1007 O ASP A 65 -6.491 34.267 69.937 1.00 57.96 O ATOM 1008 CB ASP A 65 -7.972 37.034 71.098 1.00 61.33 C ATOM 1009 CG ASP A 65 -8.024 38.530 70.984 1.00 63.47 C ATOM 1010 OD1 ASP A 65 -9.044 39.037 70.453 1.00 65.23 O ATOM 1011 OD2 ASP A 65 -7.037 39.176 71.407 1.00 63.42 O ATOM 1012 HA ASP A 65 -6.655 36.661 69.403 1.00 0.00 H ATOM 1013 HB2 ASP A 65 -8.942 36.673 71.441 1.00 0.00 H ATOM 1014 HB3 ASP A 65 -7.207 36.762 71.825 1.00 0.00 H ATOM 1015 H ASP A 65 -9.411 37.406 69.038 1.00 0.00 H ATOM 1016 N ASP A 66 -8.752 34.254 70.157 1.00 59.75 N ATOM 1017 CA ASP A 66 -8.926 32.807 70.300 1.00 61.19 C ATOM 1018 C ASP A 66 -8.152 32.097 69.148 1.00 59.67 C ATOM 1019 O ASP A 66 -7.147 31.398 69.370 1.00 59.76 O ATOM 1020 CB ASP A 66 -10.427 32.520 70.209 1.00 63.79 C ATOM 1021 CG ASP A 66 -11.099 33.337 69.103 1.00 68.33 C ATOM 1022 OD1 ASP A 66 -10.773 34.555 68.968 1.00 69.79 O ATOM 1023 OD2 ASP A 66 -11.955 32.774 68.375 1.00 70.09 O ATOM 1024 HA ASP A 66 -8.539 32.441 71.251 1.00 0.00 H ATOM 1025 HB2 ASP A 66 -10.571 31.460 70.001 1.00 0.00 H ATOM 1026 HB3 ASP A 66 -10.892 32.769 71.163 1.00 0.00 H ATOM 1027 H ASP A 66 -9.599 34.854 70.224 1.00 0.00 H ATOM 1028 N THR A 67 -8.637 32.297 67.925 1.00 56.98 N ATOM 1029 CA THR A 67 -8.008 31.739 66.726 1.00 54.67 C ATOM 1030 C THR A 67 -6.552 32.154 66.820 1.00 50.04 C ATOM 1031 O THR A 67 -5.674 31.327 66.998 1.00 49.41 O ATOM 1032 CB THR A 67 -8.556 32.378 65.455 1.00 54.47 C ATOM 1033 OG1 THR A 67 -9.912 32.751 65.678 1.00 59.23 O ATOM 1034 CG2 THR A 67 -8.492 31.417 64.299 1.00 55.80 C ATOM 1035 HA THR A 67 -8.179 30.664 66.679 1.00 0.00 H ATOM 1036 HB THR A 67 -7.952 33.252 65.211 1.00 0.00 H ATOM 1037 HG1 THR A 67 -10.278 33.167 64.858 1.00 0.00 H ATOM 1038 HG23 THR A 67 -7.455 31.129 64.125 1.00 0.00 H ATOM 1039 HG21 THR A 67 -9.083 30.531 64.532 1.00 0.00 H ATOM 1040 HG22 THR A 67 -8.892 31.898 63.406 1.00 0.00 H ATOM 1041 H THR A 67 -9.497 32.872 67.816 1.00 0.00 H ATOM 1042 N GLY A 68 -6.331 33.456 66.694 1.00 46.15 N ATOM 1043 CA GLY A 68 -4.994 33.991 66.782 1.00 40.19 C ATOM 1044 C GLY A 68 -4.342 34.151 65.422 1.00 34.14 C ATOM 1045 O GLY A 68 -4.984 34.011 64.385 1.00 32.03 O ATOM 1046 HA3 GLY A 68 -4.386 33.316 67.384 1.00 0.00 H ATOM 1047 HA2 GLY A 68 -5.039 34.967 67.266 1.00 0.00 H ATOM 1048 H GLY A 68 -7.132 34.099 66.530 1.00 0.00 H ATOM 1049 N LYS A 69 -3.049 34.425 65.419 1.00 28.15 N ATOM 1050 CA LYS A 69 -2.401 34.617 64.163 1.00 25.13 C ATOM 1051 C LYS A 69 -2.346 33.303 63.396 1.00 23.44 C ATOM 1052 O LYS A 69 -2.183 32.198 63.953 1.00 21.50 O ATOM 1053 CB LYS A 69 -1.017 35.243 64.385 1.00 28.52 C ATOM 1054 CG LYS A 69 0.132 34.336 64.181 1.00 31.80 C ATOM 1055 CD LYS A 69 1.386 35.127 64.342 1.00 31.57 C ATOM 1056 CE LYS A 69 1.974 34.856 65.669 1.00 34.79 C ATOM 1057 NZ LYS A 69 3.359 34.318 65.532 1.00 35.40 N ATOM 1058 HA LYS A 69 -2.971 35.313 63.548 1.00 0.00 H ATOM 1059 HB2 LYS A 69 -0.912 36.079 63.694 1.00 0.00 H ATOM 1060 HB3 LYS A 69 -0.976 35.612 65.410 1.00 0.00 H ATOM 1061 HG2 LYS A 69 0.104 33.534 64.918 1.00 0.00 H ATOM 1062 HG3 LYS A 69 0.091 33.908 63.179 1.00 0.00 H ATOM 1063 HD2 LYS A 69 2.096 34.844 63.565 1.00 0.00 H ATOM 1064 HD3 LYS A 69 1.159 36.190 64.255 1.00 0.00 H ATOM 1065 HE2 LYS A 69 1.356 34.126 66.192 1.00 0.00 H ATOM 1066 HE3 LYS A 69 2.005 35.782 66.243 1.00 0.00 H ATOM 1067 HZ1 LYS A 69 3.333 33.432 64.988 1.00 0.00 H ATOM 1068 HZ2 LYS A 69 3.952 35.014 65.036 1.00 0.00 H ATOM 1069 HZ3 LYS A 69 3.753 34.135 66.477 1.00 0.00 H ATOM 1070 H LYS A 69 -2.518 34.499 66.310 1.00 0.00 H ATOM 1071 N ILE A 70 -2.487 33.397 62.091 1.00 19.93 N ATOM 1072 CA ILE A 70 -2.417 32.227 61.252 1.00 15.44 C ATOM 1073 C ILE A 70 -1.439 32.599 60.141 1.00 18.66 C ATOM 1074 O ILE A 70 -1.745 33.428 59.279 1.00 15.34 O ATOM 1075 CB ILE A 70 -3.742 31.936 60.636 1.00 17.59 C ATOM 1076 CG1 ILE A 70 -4.777 31.599 61.737 1.00 22.93 C ATOM 1077 CG2 ILE A 70 -3.566 30.795 59.651 1.00 15.19 C ATOM 1078 CD1 ILE A 70 -6.211 31.301 61.161 1.00 21.48 C ATOM 1079 HA ILE A 70 -2.114 31.349 61.823 1.00 0.00 H ATOM 1080 HB ILE A 70 -4.121 32.807 60.101 1.00 0.00 H ATOM 1081 HG12 ILE A 70 -4.432 30.720 62.282 1.00 0.00 H ATOM 1082 HG13 ILE A 70 -4.846 32.445 62.421 1.00 0.00 H ATOM 1083 HD11 ILE A 70 -6.573 32.176 60.621 1.00 0.00 H ATOM 1084 HD12 ILE A 70 -6.159 30.450 60.482 1.00 0.00 H ATOM 1085 HD13 ILE A 70 -6.890 31.072 61.982 1.00 0.00 H ATOM 1086 HG21 ILE A 70 -2.851 31.087 58.882 1.00 0.00 H ATOM 1087 HG22 ILE A 70 -3.196 29.916 60.178 1.00 0.00 H ATOM 1088 HG23 ILE A 70 -4.526 30.565 59.188 1.00 0.00 H ATOM 1089 H ILE A 70 -2.651 34.329 61.659 1.00 0.00 H ATOM 1090 N GLU A 71 -0.245 32.034 60.209 1.00 17.93 N ATOM 1091 CA GLU A 71 0.742 32.339 59.189 1.00 17.88 C ATOM 1092 C GLU A 71 0.509 31.374 58.024 1.00 17.10 C ATOM 1093 O GLU A 71 0.260 30.187 58.281 1.00 17.94 O ATOM 1094 CB GLU A 71 2.118 32.134 59.810 1.00 17.82 C ATOM 1095 CG GLU A 71 2.388 33.125 60.965 1.00 17.34 C ATOM 1096 CD GLU A 71 3.835 32.997 61.481 1.00 21.65 C ATOM 1097 OE1 GLU A 71 4.441 31.939 61.250 1.00 15.91 O ATOM 1098 OE2 GLU A 71 4.327 33.930 62.153 1.00 22.94 O ATOM 1099 HA GLU A 71 0.667 33.363 58.822 1.00 0.00 H ATOM 1100 HB2 GLU A 71 2.181 31.117 60.197 1.00 0.00 H ATOM 1101 HB3 GLU A 71 2.876 32.276 59.040 1.00 0.00 H ATOM 1102 HG2 GLU A 71 2.226 34.142 60.607 1.00 0.00 H ATOM 1103 HG3 GLU A 71 1.699 32.915 61.783 1.00 0.00 H ATOM 1104 H GLU A 71 -0.016 31.379 60.984 1.00 0.00 H ATOM 1105 N LEU A 72 0.557 31.868 56.784 1.00 13.04 N ATOM 1106 CA LEU A 72 0.382 31.024 55.634 1.00 15.48 C ATOM 1107 C LEU A 72 1.556 31.118 54.636 1.00 16.62 C ATOM 1108 O LEU A 72 1.877 32.183 54.176 1.00 16.59 O ATOM 1109 CB LEU A 72 -0.887 31.387 54.895 1.00 14.10 C ATOM 1110 CG LEU A 72 -2.173 31.462 55.758 1.00 17.22 C ATOM 1111 CD1 LEU A 72 -3.258 32.356 55.051 1.00 19.74 C ATOM 1112 CD2 LEU A 72 -2.742 30.074 55.975 1.00 15.97 C ATOM 1113 HA LEU A 72 0.332 30.005 56.018 1.00 0.00 H ATOM 1114 HB2 LEU A 72 -0.737 32.362 54.432 1.00 0.00 H ATOM 1115 HB3 LEU A 72 -1.048 30.639 54.119 1.00 0.00 H ATOM 1116 HG LEU A 72 -1.911 31.903 56.719 1.00 0.00 H ATOM 1117 HD21 LEU A 72 -2.985 29.628 55.011 1.00 0.00 H ATOM 1118 HD22 LEU A 72 -2.004 29.456 56.487 1.00 0.00 H ATOM 1119 HD23 LEU A 72 -3.644 30.144 56.582 1.00 0.00 H ATOM 1120 HD11 LEU A 72 -2.864 33.363 54.913 1.00 0.00 H ATOM 1121 HD12 LEU A 72 -3.506 31.925 54.081 1.00 0.00 H ATOM 1122 HD13 LEU A 72 -4.153 32.397 55.671 1.00 0.00 H ATOM 1123 H LEU A 72 0.725 32.885 56.648 1.00 0.00 H ATOM 1124 N ILE A 73 2.146 29.987 54.297 1.00 13.08 N ATOM 1125 CA ILE A 73 3.217 29.961 53.332 1.00 15.34 C ATOM 1126 C ILE A 73 2.837 29.035 52.215 1.00 13.92 C ATOM 1127 O ILE A 73 2.298 27.958 52.465 1.00 18.90 O ATOM 1128 CB ILE A 73 4.551 29.516 53.957 1.00 15.06 C ATOM 1129 CG1 ILE A 73 4.909 30.523 55.074 1.00 11.87 C ATOM 1130 CG2 ILE A 73 5.646 29.565 52.845 1.00 9.45 C ATOM 1131 CD1 ILE A 73 5.856 30.001 56.138 1.00 15.89 C ATOM 1132 HA ILE A 73 3.364 30.973 52.955 1.00 0.00 H ATOM 1133 HB ILE A 73 4.483 28.508 54.367 1.00 0.00 H ATOM 1134 HG12 ILE A 73 5.372 31.393 54.608 1.00 0.00 H ATOM 1135 HG13 ILE A 73 3.984 30.825 55.565 1.00 0.00 H ATOM 1136 HD11 ILE A 73 5.407 29.138 56.630 1.00 0.00 H ATOM 1137 HD12 ILE A 73 6.797 29.707 55.673 1.00 0.00 H ATOM 1138 HD13 ILE A 73 6.042 30.784 56.873 1.00 0.00 H ATOM 1139 HG21 ILE A 73 5.368 28.893 52.033 1.00 0.00 H ATOM 1140 HG22 ILE A 73 5.730 30.583 52.464 1.00 0.00 H ATOM 1141 HG23 ILE A 73 6.602 29.253 53.265 1.00 0.00 H ATOM 1142 H ILE A 73 1.832 29.097 54.735 1.00 0.00 H ATOM 1143 N ASN A 74 3.071 29.479 50.994 1.00 14.86 N ATOM 1144 CA ASN A 74 2.666 28.722 49.806 1.00 11.92 C ATOM 1145 C ASN A 74 1.198 28.225 49.909 1.00 16.28 C ATOM 1146 O ASN A 74 0.859 27.116 49.517 1.00 12.52 O ATOM 1147 CB ASN A 74 3.567 27.558 49.590 1.00 15.62 C ATOM 1148 CG ASN A 74 4.998 28.002 49.468 1.00 13.25 C ATOM 1149 OD1 ASN A 74 5.256 29.136 49.050 1.00 12.56 O ATOM 1150 ND2 ASN A 74 5.921 27.113 49.802 1.00 14.20 N ATOM 1151 HA ASN A 74 2.739 29.402 48.957 1.00 0.00 H ATOM 1152 HB2 ASN A 74 3.476 26.874 50.434 1.00 0.00 H ATOM 1153 HB3 ASN A 74 3.273 27.044 48.675 1.00 0.00 H ATOM 1154 HD22 ASN A 74 5.638 26.174 50.148 1.00 0.00 H ATOM 1155 HD21 ASN A 74 6.929 27.354 49.719 1.00 0.00 H ATOM 1156 H ASN A 74 3.556 30.391 50.872 1.00 0.00 H ATOM 1157 N PRO A 75 0.313 29.089 50.369 1.00 15.92 N ATOM 1158 CA PRO A 75 -1.102 28.641 50.485 1.00 16.73 C ATOM 1159 C PRO A 75 -1.839 28.409 49.174 1.00 18.79 C ATOM 1160 O PRO A 75 -1.643 29.154 48.207 1.00 21.69 O ATOM 1161 CB PRO A 75 -1.768 29.778 51.263 1.00 15.43 C ATOM 1162 CG PRO A 75 -0.983 31.044 50.669 1.00 16.90 C ATOM 1163 CD PRO A 75 0.479 30.552 50.581 1.00 18.72 C ATOM 1164 HA PRO A 75 -1.136 27.660 50.959 1.00 0.00 H ATOM 1165 HD3 PRO A 75 1.001 31.015 49.744 1.00 0.00 H ATOM 1166 HD2 PRO A 75 1.021 30.758 51.504 1.00 0.00 H ATOM 1167 HG3 PRO A 75 -1.066 31.902 51.335 1.00 0.00 H ATOM 1168 HG2 PRO A 75 -1.364 31.312 49.684 1.00 0.00 H ATOM 1169 HB2 PRO A 75 -2.837 29.834 51.056 1.00 0.00 H ATOM 1170 HB3 PRO A 75 -1.612 29.676 52.337 1.00 0.00 H ATOM 1171 N SER A 76 -2.696 27.391 49.135 1.00 19.33 N ATOM 1172 CA SER A 76 -3.611 27.236 47.998 1.00 21.35 C ATOM 1173 C SER A 76 -5.026 26.905 48.549 1.00 21.17 C ATOM 1174 O SER A 76 -5.174 26.302 49.603 1.00 22.71 O ATOM 1175 CB SER A 76 -3.136 26.177 47.032 1.00 25.49 C ATOM 1176 OG SER A 76 -3.108 24.966 47.662 1.00 30.50 O ATOM 1177 HA SER A 76 -3.643 28.168 47.434 1.00 0.00 H ATOM 1178 HB2 SER A 76 -2.135 26.428 46.681 1.00 0.00 H ATOM 1179 HB3 SER A 76 -3.816 26.129 46.182 1.00 0.00 H ATOM 1180 HG SER A 76 -2.489 25.011 48.434 1.00 0.00 H ATOM 1181 H SER A 76 -2.717 26.702 49.914 1.00 0.00 H ATOM 1182 N ILE A 77 -6.047 27.357 47.873 1.00 19.24 N ATOM 1183 CA ILE A 77 -7.406 27.097 48.270 1.00 19.47 C ATOM 1184 C ILE A 77 -7.833 25.819 47.585 1.00 21.10 C ATOM 1185 O ILE A 77 -7.848 25.736 46.367 1.00 20.28 O ATOM 1186 CB ILE A 77 -8.305 28.280 47.899 1.00 20.74 C ATOM 1187 CG1 ILE A 77 -7.891 29.468 48.783 1.00 20.10 C ATOM 1188 CG2 ILE A 77 -9.770 27.977 48.272 1.00 22.88 C ATOM 1189 CD1 ILE A 77 -8.670 30.751 48.516 1.00 19.16 C ATOM 1190 HA ILE A 77 -7.489 26.977 49.350 1.00 0.00 H ATOM 1191 HB ILE A 77 -8.210 28.478 46.831 1.00 0.00 H ATOM 1192 HG12 ILE A 77 -8.042 29.187 49.825 1.00 0.00 H ATOM 1193 HG13 ILE A 77 -6.833 29.669 48.612 1.00 0.00 H ATOM 1194 HD11 ILE A 77 -8.521 31.056 47.480 1.00 0.00 H ATOM 1195 HD12 ILE A 77 -9.731 30.574 48.695 1.00 0.00 H ATOM 1196 HD13 ILE A 77 -8.314 31.536 49.183 1.00 0.00 H ATOM 1197 HG21 ILE A 77 -10.105 27.092 47.732 1.00 0.00 H ATOM 1198 HG22 ILE A 77 -9.841 27.798 49.345 1.00 0.00 H ATOM 1199 HG23 ILE A 77 -10.396 28.828 48.002 1.00 0.00 H ATOM 1200 H ILE A 77 -5.873 27.924 47.019 1.00 0.00 H ATOM 1201 N LEU A 78 -8.111 24.796 48.373 1.00 20.82 N ATOM 1202 CA LEU A 78 -8.519 23.497 47.841 1.00 21.29 C ATOM 1203 C LEU A 78 -10.008 23.494 47.577 1.00 24.49 C ATOM 1204 O LEU A 78 -10.464 22.851 46.670 1.00 29.14 O ATOM 1205 CB LEU A 78 -8.221 22.407 48.863 1.00 20.88 C ATOM 1206 CG LEU A 78 -6.734 22.286 49.294 1.00 20.98 C ATOM 1207 CD1 LEU A 78 -6.634 21.073 50.249 1.00 21.64 C ATOM 1208 CD2 LEU A 78 -5.828 22.092 48.078 1.00 21.27 C ATOM 1209 HA LEU A 78 -7.971 23.313 46.917 1.00 0.00 H ATOM 1210 HB2 LEU A 78 -8.814 22.610 49.755 1.00 0.00 H ATOM 1211 HB3 LEU A 78 -8.526 21.452 48.435 1.00 0.00 H ATOM 1212 HG LEU A 78 -6.405 23.198 49.793 1.00 0.00 H ATOM 1213 HD21 LEU A 78 -6.117 21.181 47.553 1.00 0.00 H ATOM 1214 HD22 LEU A 78 -5.931 22.947 47.409 1.00 0.00 H ATOM 1215 HD23 LEU A 78 -4.792 22.010 48.408 1.00 0.00 H ATOM 1216 HD11 LEU A 78 -7.273 21.241 51.116 1.00 0.00 H ATOM 1217 HD12 LEU A 78 -6.957 20.173 49.726 1.00 0.00 H ATOM 1218 HD13 LEU A 78 -5.601 20.954 50.576 1.00 0.00 H ATOM 1219 H LEU A 78 -8.037 24.918 49.403 1.00 0.00 H ATOM 1220 N GLU A 79 -10.803 24.213 48.334 1.00 25.16 N ATOM 1221 CA GLU A 79 -12.251 24.132 48.051 1.00 26.96 C ATOM 1222 C GLU A 79 -12.861 25.464 48.465 1.00 24.42 C ATOM 1223 O GLU A 79 -12.287 26.128 49.362 1.00 24.66 O ATOM 1224 CB GLU A 79 -12.826 23.038 48.973 1.00 28.56 C ATOM 1225 CG GLU A 79 -13.875 22.171 48.404 1.00 41.51 C ATOM 1226 CD GLU A 79 -14.541 21.287 49.496 1.00 47.20 C ATOM 1227 OE1 GLU A 79 -13.819 20.657 50.300 1.00 49.07 O ATOM 1228 OE2 GLU A 79 -15.796 21.228 49.544 1.00 50.61 O ATOM 1229 HA GLU A 79 -12.455 23.914 47.003 1.00 0.00 H ATOM 1230 HB2 GLU A 79 -11.999 22.397 49.280 1.00 0.00 H ATOM 1231 HB3 GLU A 79 -13.246 23.532 49.849 1.00 0.00 H ATOM 1232 HG2 GLU A 79 -14.638 22.796 47.940 1.00 0.00 H ATOM 1233 HG3 GLU A 79 -13.429 21.524 47.649 1.00 0.00 H ATOM 1234 H GLU A 79 -10.431 24.812 49.098 1.00 0.00 H ATOM 1235 N LYS A 80 -14.014 25.814 47.873 1.00 20.40 N ATOM 1236 CA LYS A 80 -14.780 26.999 48.255 1.00 16.99 C ATOM 1237 C LYS A 80 -16.268 26.626 48.208 1.00 17.68 C ATOM 1238 O LYS A 80 -16.725 25.872 47.305 1.00 13.96 O ATOM 1239 CB LYS A 80 -14.576 28.183 47.295 1.00 24.97 C ATOM 1240 CG LYS A 80 -13.134 28.751 47.309 1.00 26.08 C ATOM 1241 CD LYS A 80 -13.061 29.912 46.373 1.00 33.19 C ATOM 1242 CE LYS A 80 -11.623 30.218 45.957 1.00 37.56 C ATOM 1243 NZ LYS A 80 -11.661 30.751 44.547 1.00 41.79 N ATOM 1244 HA LYS A 80 -14.442 27.306 49.245 1.00 0.00 H ATOM 1245 HB2 LYS A 80 -14.806 27.850 46.283 1.00 0.00 H ATOM 1246 HB3 LYS A 80 -15.263 28.980 47.579 1.00 0.00 H ATOM 1247 HG2 LYS A 80 -12.879 29.077 48.317 1.00 0.00 H ATOM 1248 HG3 LYS A 80 -12.434 27.979 46.990 1.00 0.00 H ATOM 1249 HD2 LYS A 80 -13.645 29.684 45.482 1.00 0.00 H ATOM 1250 HD3 LYS A 80 -13.480 30.789 46.866 1.00 0.00 H ATOM 1251 HE2 LYS A 80 -11.023 29.309 45.995 1.00 0.00 H ATOM 1252 HE3 LYS A 80 -11.193 30.964 46.625 1.00 0.00 H ATOM 1253 HZ1 LYS A 80 -12.077 30.035 43.918 1.00 0.00 H ATOM 1254 HZ2 LYS A 80 -12.239 31.615 44.520 1.00 0.00 H ATOM 1255 HZ3 LYS A 80 -10.694 30.969 44.234 1.00 0.00 H ATOM 1256 H LYS A 80 -14.379 25.214 47.106 1.00 0.00 H ATOM 1257 N ARG A 81 -17.019 27.204 49.133 1.00 14.51 N ATOM 1258 CA ARG A 81 -18.464 26.971 49.165 1.00 20.09 C ATOM 1259 C ARG A 81 -19.233 28.177 49.630 1.00 20.03 C ATOM 1260 O ARG A 81 -18.805 28.816 50.586 1.00 22.99 O ATOM 1261 CB ARG A 81 -18.846 25.799 50.098 1.00 17.86 C ATOM 1262 CG ARG A 81 -18.345 24.463 49.645 1.00 22.76 C ATOM 1263 CD ARG A 81 -18.931 24.114 48.294 1.00 26.87 C ATOM 1264 NE ARG A 81 -18.649 22.730 48.027 1.00 33.79 N ATOM 1265 CZ ARG A 81 -17.642 22.323 47.268 1.00 38.93 C ATOM 1266 NH1 ARG A 81 -16.824 23.200 46.684 1.00 38.76 N ATOM 1267 NH2 ARG A 81 -17.432 21.023 47.108 1.00 45.69 N ATOM 1268 HA ARG A 81 -18.729 26.736 48.134 1.00 0.00 H ATOM 1269 HB2 ARG A 81 -18.434 26.001 51.087 1.00 0.00 H ATOM 1270 HB3 ARG A 81 -19.933 25.753 50.161 1.00 0.00 H ATOM 1271 HG2 ARG A 81 -17.258 24.493 49.569 1.00 0.00 H ATOM 1272 HG3 ARG A 81 -18.637 23.704 50.371 1.00 0.00 H ATOM 1273 HD2 ARG A 81 -18.480 24.738 47.523 1.00 0.00 H ATOM 1274 HD3 ARG A 81 -20.009 24.276 48.306 1.00 0.00 H ATOM 1275 HE ARG A 81 -19.268 22.010 48.452 1.00 0.00 H ATOM 1276 HH12 ARG A 81 -16.038 22.864 46.091 1.00 0.00 H ATOM 1277 HH11 ARG A 81 -16.972 24.220 46.821 1.00 0.00 H ATOM 1278 HH22 ARG A 81 -16.645 20.693 46.514 1.00 0.00 H ATOM 1279 HH21 ARG A 81 -18.055 20.334 47.576 1.00 0.00 H ATOM 1280 H ARG A 81 -16.580 27.827 49.841 1.00 0.00 H ATOM 1281 N GLY A 82 -20.366 28.470 48.957 1.00 20.32 N ATOM 1282 CA GLY A 82 -21.227 29.561 49.385 1.00 21.68 C ATOM 1283 C GLY A 82 -20.578 30.886 49.033 1.00 22.58 C ATOM 1284 O GLY A 82 -19.393 30.887 48.610 1.00 21.36 O ATOM 1285 HA3 GLY A 82 -21.377 29.505 50.463 1.00 0.00 H ATOM 1286 HA2 GLY A 82 -22.190 29.483 48.881 1.00 0.00 H ATOM 1287 H GLY A 82 -20.626 27.908 48.122 1.00 0.00 H ATOM 1288 N GLU A 83 -21.321 31.985 49.222 1.00 18.46 N ATOM 1289 CA GLU A 83 -20.770 33.285 48.909 1.00 20.83 C ATOM 1290 C GLU A 83 -21.139 34.327 49.934 1.00 23.36 C ATOM 1291 O GLU A 83 -22.119 34.165 50.631 1.00 22.74 O ATOM 1292 CB GLU A 83 -21.255 33.696 47.527 1.00 21.36 C ATOM 1293 CG GLU A 83 -20.671 32.853 46.401 1.00 24.42 C ATOM 1294 CD GLU A 83 -21.221 33.317 45.057 1.00 29.59 C ATOM 1295 OE1 GLU A 83 -22.447 33.171 44.880 1.00 31.26 O ATOM 1296 OE2 GLU A 83 -20.463 33.854 44.229 1.00 29.22 O ATOM 1297 HA GLU A 83 -19.682 33.213 48.923 1.00 0.00 H ATOM 1298 HB2 GLU A 83 -22.341 33.603 47.500 1.00 0.00 H ATOM 1299 HB3 GLU A 83 -20.977 34.736 47.359 1.00 0.00 H ATOM 1300 HG2 GLU A 83 -19.586 32.954 46.401 1.00 0.00 H ATOM 1301 HG3 GLU A 83 -20.937 31.808 46.558 1.00 0.00 H ATOM 1302 H GLU A 83 -22.289 31.903 49.592 1.00 0.00 H ATOM 1303 N GLN A 84 -20.358 35.395 50.045 1.00 22.77 N ATOM 1304 CA GLN A 84 -20.659 36.451 51.015 1.00 23.43 C ATOM 1305 C GLN A 84 -20.314 37.772 50.347 1.00 24.24 C ATOM 1306 O GLN A 84 -19.351 37.862 49.572 1.00 22.32 O ATOM 1307 CB GLN A 84 -19.823 36.283 52.299 1.00 24.45 C ATOM 1308 CG GLN A 84 -18.306 36.110 52.076 1.00 24.37 C ATOM 1309 CD GLN A 84 -17.506 35.928 53.389 1.00 25.72 C ATOM 1310 OE1 GLN A 84 -17.861 36.498 54.427 1.00 25.66 O ATOM 1311 NE2 GLN A 84 -16.414 35.144 53.330 1.00 24.11 N ATOM 1312 HA GLN A 84 -21.709 36.409 51.304 1.00 0.00 H ATOM 1313 HB2 GLN A 84 -19.975 37.167 52.919 1.00 0.00 H ATOM 1314 HB3 GLN A 84 -20.189 35.403 52.828 1.00 0.00 H ATOM 1315 HG2 GLN A 84 -18.147 35.232 51.450 1.00 0.00 H ATOM 1316 HG3 GLN A 84 -17.929 36.994 51.562 1.00 0.00 H ATOM 1317 HE22 GLN A 84 -16.152 34.684 52.435 1.00 0.00 H ATOM 1318 HE21 GLN A 84 -15.832 34.998 54.179 1.00 0.00 H ATOM 1319 H GLN A 84 -19.521 35.483 49.435 1.00 0.00 H ATOM 1320 N VAL A 85 -21.081 38.802 50.673 1.00 23.61 N ATOM 1321 CA VAL A 85 -20.850 40.117 50.101 1.00 24.52 C ATOM 1322 C VAL A 85 -20.603 41.086 51.246 1.00 25.90 C ATOM 1323 O VAL A 85 -21.316 41.080 52.256 1.00 26.62 O ATOM 1324 CB VAL A 85 -22.081 40.522 49.230 1.00 25.69 C ATOM 1325 CG1 VAL A 85 -21.832 41.876 48.522 1.00 28.27 C ATOM 1326 CG2 VAL A 85 -22.289 39.423 48.143 1.00 24.68 C ATOM 1327 HA VAL A 85 -19.978 40.126 49.447 1.00 0.00 H ATOM 1328 HB VAL A 85 -22.958 40.618 49.871 1.00 0.00 H ATOM 1329 HG11 VAL A 85 -21.661 42.650 49.270 1.00 0.00 H ATOM 1330 HG12 VAL A 85 -20.957 41.792 47.877 1.00 0.00 H ATOM 1331 HG13 VAL A 85 -22.704 42.136 47.922 1.00 0.00 H ATOM 1332 HG21 VAL A 85 -21.396 39.354 47.522 1.00 0.00 H ATOM 1333 HG22 VAL A 85 -22.471 38.464 48.628 1.00 0.00 H ATOM 1334 HG23 VAL A 85 -23.145 39.686 47.522 1.00 0.00 H ATOM 1335 H VAL A 85 -21.860 38.667 51.349 1.00 0.00 H ATOM 1336 N GLY A 86 -19.584 41.918 51.120 1.00 24.16 N ATOM 1337 CA GLY A 86 -19.306 42.790 52.226 1.00 23.77 C ATOM 1338 C GLY A 86 -18.222 43.768 51.842 1.00 22.67 C ATOM 1339 O GLY A 86 -17.652 43.686 50.760 1.00 23.48 O ATOM 1340 HA3 GLY A 86 -18.975 42.199 53.080 1.00 0.00 H ATOM 1341 HA2 GLY A 86 -20.210 43.337 52.493 1.00 0.00 H ATOM 1342 H GLY A 86 -19.007 41.940 50.255 1.00 0.00 H ATOM 1343 N PRO A 87 -17.958 44.726 52.728 1.00 22.15 N ATOM 1344 CA PRO A 87 -16.982 45.796 52.620 1.00 21.33 C ATOM 1345 C PRO A 87 -15.551 45.311 52.839 1.00 21.81 C ATOM 1346 O PRO A 87 -15.302 44.523 53.736 1.00 23.59 O ATOM 1347 CB PRO A 87 -17.408 46.772 53.713 1.00 22.40 C ATOM 1348 CG PRO A 87 -17.903 45.845 54.804 1.00 22.20 C ATOM 1349 CD PRO A 87 -18.713 44.814 53.993 1.00 21.65 C ATOM 1350 HA PRO A 87 -16.967 46.238 51.624 1.00 0.00 H ATOM 1351 HD3 PRO A 87 -18.742 43.850 54.501 1.00 0.00 H ATOM 1352 HD2 PRO A 87 -19.731 45.163 53.819 1.00 0.00 H ATOM 1353 HG3 PRO A 87 -18.534 46.373 55.519 1.00 0.00 H ATOM 1354 HG2 PRO A 87 -17.074 45.373 55.332 1.00 0.00 H ATOM 1355 HB2 PRO A 87 -16.565 47.371 54.057 1.00 0.00 H ATOM 1356 HB3 PRO A 87 -18.203 47.431 53.365 1.00 0.00 H ATOM 1357 N GLU A 88 -14.643 45.776 51.988 1.00 20.77 N ATOM 1358 CA GLU A 88 -13.225 45.465 52.124 1.00 23.16 C ATOM 1359 C GLU A 88 -12.427 46.704 51.875 1.00 26.16 C ATOM 1360 O GLU A 88 -12.834 47.547 51.035 1.00 27.89 O ATOM 1361 CB GLU A 88 -12.715 44.434 51.082 1.00 22.69 C ATOM 1362 CG GLU A 88 -13.069 43.070 51.405 1.00 19.35 C ATOM 1363 CD GLU A 88 -12.425 42.036 50.541 1.00 19.91 C ATOM 1364 OE1 GLU A 88 -11.317 42.229 49.983 1.00 24.46 O ATOM 1365 OE2 GLU A 88 -13.016 40.976 50.459 1.00 18.21 O ATOM 1366 HA GLU A 88 -13.106 45.058 53.128 1.00 0.00 H ATOM 1367 HB2 GLU A 88 -13.144 44.682 50.111 1.00 0.00 H ATOM 1368 HB3 GLU A 88 -11.629 44.506 51.027 1.00 0.00 H ATOM 1369 HG2 GLU A 88 -12.778 42.879 52.438 1.00 0.00 H ATOM 1370 HG3 GLU A 88 -14.150 42.968 51.309 1.00 0.00 H ATOM 1371 H GLU A 88 -14.953 46.380 51.201 1.00 0.00 H ATOM 1372 N GLY A 89 -11.302 46.798 52.587 1.00 23.69 N ATOM 1373 CA GLY A 89 -10.335 47.863 52.387 1.00 25.16 C ATOM 1374 C GLY A 89 -8.991 47.143 52.206 1.00 22.18 C ATOM 1375 O GLY A 89 -8.932 45.917 52.228 1.00 22.51 O ATOM 1376 HA3 GLY A 89 -10.304 48.522 53.255 1.00 0.00 H ATOM 1377 HA2 GLY A 89 -10.582 48.445 51.499 1.00 0.00 H ATOM 1378 H GLY A 89 -11.110 46.080 53.314 1.00 0.00 H ATOM 1379 N CYS A 90 -7.920 47.883 52.030 1.00 23.00 N ATOM 1380 CA CYS A 90 -6.619 47.297 51.847 1.00 19.09 C ATOM 1381 C CYS A 90 -5.550 48.299 52.317 1.00 22.88 C ATOM 1382 O CYS A 90 -5.604 49.472 51.976 1.00 20.03 O ATOM 1383 CB CYS A 90 -6.387 46.949 50.349 1.00 20.36 C ATOM 1384 SG CYS A 90 -4.696 46.249 49.968 1.00 20.32 S ATOM 1385 HA CYS A 90 -6.552 46.379 52.431 1.00 0.00 H ATOM 1386 HB2 CYS A 90 -6.519 47.859 49.764 1.00 0.00 H ATOM 1387 HB3 CYS A 90 -7.135 46.215 50.050 1.00 0.00 H ATOM 1388 HG CYS A 90 -4.510 45.084 50.685 1.00 0.00 H ATOM 1389 H CYS A 90 -8.015 48.919 52.023 1.00 0.00 H ATOM 1390 N LEU A 91 -4.561 47.813 53.071 1.00 22.38 N ATOM 1391 CA LEU A 91 -3.494 48.689 53.558 1.00 23.32 C ATOM 1392 C LEU A 91 -2.685 49.306 52.453 1.00 23.24 C ATOM 1393 O LEU A 91 -1.944 50.273 52.676 1.00 26.10 O ATOM 1394 CB LEU A 91 -2.587 47.944 54.564 1.00 18.88 C ATOM 1395 CG LEU A 91 -3.314 47.627 55.900 1.00 24.79 C ATOM 1396 CD1 LEU A 91 -2.419 46.782 56.814 1.00 21.88 C ATOM 1397 CD2 LEU A 91 -3.720 48.960 56.595 1.00 26.83 C ATOM 1398 HA LEU A 91 -3.983 49.515 54.073 1.00 0.00 H ATOM 1399 HB2 LEU A 91 -2.260 47.007 54.113 1.00 0.00 H ATOM 1400 HB3 LEU A 91 -1.718 48.566 54.778 1.00 0.00 H ATOM 1401 HG LEU A 91 -4.214 47.048 55.692 1.00 0.00 H ATOM 1402 HD21 LEU A 91 -2.826 49.550 56.797 1.00 0.00 H ATOM 1403 HD22 LEU A 91 -4.387 49.521 55.940 1.00 0.00 H ATOM 1404 HD23 LEU A 91 -4.230 48.739 57.532 1.00 0.00 H ATOM 1405 HD11 LEU A 91 -2.173 45.845 56.314 1.00 0.00 H ATOM 1406 HD12 LEU A 91 -1.503 47.331 57.031 1.00 0.00 H ATOM 1407 HD13 LEU A 91 -2.947 46.571 57.744 1.00 0.00 H ATOM 1408 H LEU A 91 -4.549 46.802 53.315 1.00 0.00 H ATOM 1409 N SER A 92 -2.767 48.766 51.253 1.00 23.02 N ATOM 1410 CA SER A 92 -1.988 49.355 50.170 1.00 20.66 C ATOM 1411 C SER A 92 -2.831 50.443 49.431 1.00 22.15 C ATOM 1412 O SER A 92 -2.346 51.063 48.465 1.00 23.91 O ATOM 1413 CB SER A 92 -1.548 48.262 49.173 1.00 20.42 C ATOM 1414 OG SER A 92 -0.582 47.354 49.697 1.00 21.07 O ATOM 1415 HA SER A 92 -1.100 49.823 50.594 1.00 0.00 H ATOM 1416 HB2 SER A 92 -1.121 48.749 48.296 1.00 0.00 H ATOM 1417 HB3 SER A 92 -2.429 47.693 48.877 1.00 0.00 H ATOM 1418 HG SER A 92 0.231 47.854 49.960 1.00 0.00 H ATOM 1419 H SER A 92 -3.374 47.939 51.083 1.00 0.00 H ATOM 1420 N PHE A 93 -4.098 50.601 49.823 1.00 24.18 N ATOM 1421 CA PHE A 93 -5.040 51.610 49.244 1.00 23.12 C ATOM 1422 C PHE A 93 -5.701 52.349 50.401 1.00 24.14 C ATOM 1423 O PHE A 93 -6.952 52.324 50.599 1.00 26.51 O ATOM 1424 CB PHE A 93 -6.134 50.964 48.404 1.00 21.44 C ATOM 1425 CG PHE A 93 -5.625 50.257 47.169 1.00 23.12 C ATOM 1426 CD1 PHE A 93 -5.141 48.970 47.261 1.00 22.45 C ATOM 1427 CD2 PHE A 93 -5.720 50.863 45.899 1.00 24.24 C ATOM 1428 CE1 PHE A 93 -4.759 48.249 46.112 1.00 21.69 C ATOM 1429 CE2 PHE A 93 -5.348 50.167 44.745 1.00 24.43 C ATOM 1430 CZ PHE A 93 -4.872 48.851 44.859 1.00 22.24 C ATOM 1431 HA PHE A 93 -4.471 52.277 48.597 1.00 0.00 H ATOM 1432 HB2 PHE A 93 -6.658 50.237 49.024 1.00 0.00 H ATOM 1433 HB3 PHE A 93 -6.831 51.742 48.091 1.00 0.00 H ATOM 1434 HD2 PHE A 93 -6.088 51.886 45.816 1.00 0.00 H ATOM 1435 HE2 PHE A 93 -5.427 50.641 43.767 1.00 0.00 H ATOM 1436 HZ PHE A 93 -4.589 48.297 43.964 1.00 0.00 H ATOM 1437 HE1 PHE A 93 -4.379 47.231 46.202 1.00 0.00 H ATOM 1438 HD1 PHE A 93 -5.052 48.501 48.241 1.00 0.00 H ATOM 1439 H PHE A 93 -4.453 49.983 50.580 1.00 0.00 H ATOM 1440 N PRO A 94 -4.874 53.054 51.184 1.00 26.16 N ATOM 1441 CA PRO A 94 -5.489 53.761 52.319 1.00 27.70 C ATOM 1442 C PRO A 94 -6.692 54.576 51.988 1.00 25.85 C ATOM 1443 O PRO A 94 -6.665 55.316 51.067 1.00 29.38 O ATOM 1444 CB PRO A 94 -4.360 54.625 52.881 1.00 25.71 C ATOM 1445 CG PRO A 94 -3.429 54.787 51.696 1.00 27.70 C ATOM 1446 CD PRO A 94 -3.496 53.510 50.910 1.00 23.93 C ATOM 1447 HA PRO A 94 -5.887 53.040 53.033 1.00 0.00 H ATOM 1448 HD3 PRO A 94 -3.342 53.691 49.846 1.00 0.00 H ATOM 1449 HD2 PRO A 94 -2.761 52.787 51.264 1.00 0.00 H ATOM 1450 HG3 PRO A 94 -2.410 54.962 52.041 1.00 0.00 H ATOM 1451 HG2 PRO A 94 -3.751 55.625 51.078 1.00 0.00 H ATOM 1452 HB2 PRO A 94 -4.737 55.591 53.218 1.00 0.00 H ATOM 1453 HB3 PRO A 94 -3.858 54.123 53.708 1.00 0.00 H ATOM 1454 N GLY A 95 -7.767 54.407 52.735 1.00 30.00 N ATOM 1455 CA GLY A 95 -8.940 55.231 52.518 1.00 28.05 C ATOM 1456 C GLY A 95 -9.935 54.703 51.501 1.00 32.07 C ATOM 1457 O GLY A 95 -11.046 55.219 51.414 1.00 31.58 O ATOM 1458 HA3 GLY A 95 -8.603 56.211 52.180 1.00 0.00 H ATOM 1459 HA2 GLY A 95 -9.458 55.335 53.471 1.00 0.00 H ATOM 1460 H GLY A 95 -7.773 53.682 53.480 1.00 0.00 H ATOM 1461 N LEU A 96 -9.565 53.664 50.754 1.00 30.69 N ATOM 1462 CA LEU A 96 -10.440 53.125 49.726 1.00 26.45 C ATOM 1463 C LEU A 96 -11.182 51.891 50.210 1.00 29.16 C ATOM 1464 O LEU A 96 -10.536 50.944 50.664 1.00 25.47 O ATOM 1465 CB LEU A 96 -9.592 52.728 48.543 1.00 25.15 C ATOM 1466 CG LEU A 96 -10.337 52.310 47.272 1.00 24.18 C ATOM 1467 CD1 LEU A 96 -10.846 53.608 46.580 1.00 29.28 C ATOM 1468 CD2 LEU A 96 -9.474 51.578 46.328 1.00 23.92 C ATOM 1469 HA LEU A 96 -11.172 53.889 49.464 1.00 0.00 H ATOM 1470 HB2 LEU A 96 -8.958 53.578 48.290 1.00 0.00 H ATOM 1471 HB3 LEU A 96 -8.967 51.890 48.851 1.00 0.00 H ATOM 1472 HG LEU A 96 -11.152 51.642 47.551 1.00 0.00 H ATOM 1473 HD21 LEU A 96 -8.638 52.213 46.035 1.00 0.00 H ATOM 1474 HD22 LEU A 96 -9.096 50.676 46.808 1.00 0.00 H ATOM 1475 HD23 LEU A 96 -10.052 51.306 45.445 1.00 0.00 H ATOM 1476 HD11 LEU A 96 -11.515 54.141 47.256 1.00 0.00 H ATOM 1477 HD12 LEU A 96 -9.996 54.244 46.332 1.00 0.00 H ATOM 1478 HD13 LEU A 96 -11.383 53.346 45.668 1.00 0.00 H ATOM 1479 H LEU A 96 -8.633 53.230 50.909 1.00 0.00 H ATOM 1480 N TYR A 97 -12.516 51.882 50.081 1.00 26.54 N ATOM 1481 CA TYR A 97 -13.336 50.752 50.493 1.00 24.96 C ATOM 1482 C TYR A 97 -14.362 50.435 49.418 1.00 26.37 C ATOM 1483 O TYR A 97 -14.924 51.325 48.772 1.00 26.43 O ATOM 1484 CB TYR A 97 -14.093 51.019 51.791 1.00 26.49 C ATOM 1485 CG TYR A 97 -13.221 51.303 53.012 1.00 27.95 C ATOM 1486 CD1 TYR A 97 -12.761 52.597 53.285 1.00 28.05 C ATOM 1487 CD2 TYR A 97 -12.788 50.270 53.831 1.00 27.93 C ATOM 1488 CE1 TYR A 97 -11.869 52.854 54.338 1.00 29.10 C ATOM 1489 CE2 TYR A 97 -11.890 50.522 54.887 1.00 34.16 C ATOM 1490 CZ TYR A 97 -11.436 51.823 55.118 1.00 34.07 C ATOM 1491 OH TYR A 97 -10.489 52.070 56.097 1.00 42.14 O ATOM 1492 HA TYR A 97 -12.653 49.917 50.650 1.00 0.00 H ATOM 1493 HB3 TYR A 97 -14.704 50.143 52.010 1.00 0.00 H ATOM 1494 HB2 TYR A 97 -14.740 51.882 51.632 1.00 0.00 H ATOM 1495 HD2 TYR A 97 -13.146 49.255 53.656 1.00 0.00 H ATOM 1496 HE2 TYR A 97 -11.550 49.704 55.522 1.00 0.00 H ATOM 1497 HE1 TYR A 97 -11.525 53.870 54.531 1.00 0.00 H ATOM 1498 HD1 TYR A 97 -13.104 53.425 52.665 1.00 0.00 H ATOM 1499 HH TYR A 97 -9.663 51.564 55.891 1.00 0.00 H ATOM 1500 H TYR A 97 -12.984 52.715 49.670 1.00 0.00 H ATOM 1501 N GLY A 98 -14.596 49.150 49.217 1.00 25.44 N ATOM 1502 CA GLY A 98 -15.559 48.711 48.227 1.00 26.44 C ATOM 1503 C GLY A 98 -16.229 47.428 48.632 1.00 27.30 C ATOM 1504 O GLY A 98 -15.772 46.750 49.554 1.00 26.80 O ATOM 1505 HA3 GLY A 98 -15.045 48.557 47.278 1.00 0.00 H ATOM 1506 HA2 GLY A 98 -16.319 49.483 48.106 1.00 0.00 H ATOM 1507 H GLY A 98 -14.081 48.442 49.778 1.00 0.00 H ATOM 1508 N GLU A 99 -17.328 47.110 47.948 1.00 24.93 N ATOM 1509 CA GLU A 99 -18.070 45.923 48.175 1.00 24.13 C ATOM 1510 C GLU A 99 -17.460 44.801 47.343 1.00 25.04 C ATOM 1511 O GLU A 99 -17.208 44.942 46.130 1.00 25.58 O ATOM 1512 CB GLU A 99 -19.516 46.110 47.751 1.00 25.63 C ATOM 1513 CG GLU A 99 -20.285 44.889 47.944 1.00 24.36 C ATOM 1514 CD GLU A 99 -21.765 45.127 47.712 1.00 32.59 C ATOM 1515 OE1 GLU A 99 -22.190 44.943 46.573 1.00 29.03 O ATOM 1516 OE2 GLU A 99 -22.474 45.520 48.655 1.00 29.66 O ATOM 1517 HA GLU A 99 -18.039 45.681 49.237 1.00 0.00 H ATOM 1518 HB2 GLU A 99 -19.961 46.908 48.346 1.00 0.00 H ATOM 1519 HB3 GLU A 99 -19.545 46.385 46.697 1.00 0.00 H ATOM 1520 HG2 GLU A 99 -19.933 44.133 47.243 1.00 0.00 H ATOM 1521 HG3 GLU A 99 -20.138 44.534 48.964 1.00 0.00 H ATOM 1522 H GLU A 99 -17.658 47.765 47.211 1.00 0.00 H ATOM 1523 N VAL A 100 -17.289 43.654 47.997 1.00 21.52 N ATOM 1524 CA VAL A 100 -16.659 42.537 47.353 1.00 18.94 C ATOM 1525 C VAL A 100 -17.305 41.214 47.699 1.00 19.34 C ATOM 1526 O VAL A 100 -17.536 40.909 48.859 1.00 20.17 O ATOM 1527 CB VAL A 100 -15.145 42.336 47.791 1.00 16.83 C ATOM 1528 CG1 VAL A 100 -14.604 41.211 46.887 1.00 18.38 C ATOM 1529 CG2 VAL A 100 -14.288 43.615 47.609 1.00 14.43 C ATOM 1530 HA VAL A 100 -16.755 42.784 46.296 1.00 0.00 H ATOM 1531 HB VAL A 100 -15.092 42.096 48.853 1.00 0.00 H ATOM 1532 HG11 VAL A 100 -15.190 40.306 47.046 1.00 0.00 H ATOM 1533 HG12 VAL A 100 -14.681 41.516 45.844 1.00 0.00 H ATOM 1534 HG13 VAL A 100 -13.560 41.018 47.134 1.00 0.00 H ATOM 1535 HG21 VAL A 100 -14.294 43.908 46.559 1.00 0.00 H ATOM 1536 HG22 VAL A 100 -14.705 44.419 48.215 1.00 0.00 H ATOM 1537 HG23 VAL A 100 -13.265 43.413 47.925 1.00 0.00 H ATOM 1538 H VAL A 100 -17.614 43.567 48.981 1.00 0.00 H ATOM 1539 N GLU A 101 -17.514 40.404 46.684 1.00 21.90 N ATOM 1540 CA GLU A 101 -18.132 39.118 46.881 1.00 23.41 C ATOM 1541 C GLU A 101 -17.021 38.079 46.893 1.00 22.49 C ATOM 1542 O GLU A 101 -16.279 38.002 45.920 1.00 20.95 O ATOM 1543 CB GLU A 101 -19.079 38.836 45.699 1.00 25.18 C ATOM 1544 CG GLU A 101 -19.745 37.449 45.746 1.00 29.48 C ATOM 1545 CD GLU A 101 -20.842 37.215 44.662 1.00 33.93 C ATOM 1546 OE1 GLU A 101 -20.596 37.390 43.447 1.00 32.05 O ATOM 1547 OE2 GLU A 101 -21.957 36.815 45.045 1.00 38.66 O ATOM 1548 HA GLU A 101 -18.698 39.090 47.812 1.00 0.00 H ATOM 1549 HB2 GLU A 101 -19.863 39.593 45.700 1.00 0.00 H ATOM 1550 HB3 GLU A 101 -18.505 38.910 44.775 1.00 0.00 H ATOM 1551 HG2 GLU A 101 -18.969 36.695 45.613 1.00 0.00 H ATOM 1552 HG3 GLU A 101 -20.205 37.326 46.727 1.00 0.00 H ATOM 1553 H GLU A 101 -17.229 40.696 45.727 1.00 0.00 H ATOM 1554 N ARG A 102 -16.950 37.275 47.965 1.00 22.85 N ATOM 1555 CA ARG A 102 -15.983 36.180 48.085 1.00 19.72 C ATOM 1556 C ARG A 102 -16.690 34.896 48.526 1.00 20.07 C ATOM 1557 O ARG A 102 -17.901 34.897 48.930 1.00 19.57 O ATOM 1558 CB ARG A 102 -14.951 36.448 49.179 1.00 27.20 C ATOM 1559 CG ARG A 102 -14.344 37.783 49.189 1.00 26.06 C ATOM 1560 CD ARG A 102 -12.870 37.628 49.004 1.00 25.29 C ATOM 1561 NE ARG A 102 -12.142 38.887 49.013 1.00 20.45 N ATOM 1562 CZ ARG A 102 -11.133 39.122 48.167 1.00 21.50 C ATOM 1563 NH1 ARG A 102 -10.809 38.195 47.307 1.00 14.34 N ATOM 1564 NH2 ARG A 102 -10.474 40.265 48.159 1.00 17.31 N ATOM 1565 HA ARG A 102 -15.510 36.091 47.107 1.00 0.00 H ATOM 1566 HB2 ARG A 102 -15.441 36.299 50.141 1.00 0.00 H ATOM 1567 HB3 ARG A 102 -14.149 35.719 49.064 1.00 0.00 H ATOM 1568 HG2 ARG A 102 -14.757 38.382 48.378 1.00 0.00 H ATOM 1569 HG3 ARG A 102 -14.547 38.274 50.141 1.00 0.00 H ATOM 1570 HD2 ARG A 102 -12.693 37.135 48.048 1.00 0.00 H ATOM 1571 HD3 ARG A 102 -12.486 37.003 49.810 1.00 0.00 H ATOM 1572 HE ARG A 102 -12.413 39.624 49.695 1.00 0.00 H ATOM 1573 HH12 ARG A 102 -10.028 38.355 46.639 1.00 0.00 H ATOM 1574 HH11 ARG A 102 -11.332 37.296 47.289 1.00 0.00 H ATOM 1575 HH22 ARG A 102 -9.695 40.411 47.486 1.00 0.00 H ATOM 1576 HH21 ARG A 102 -10.734 41.020 48.826 1.00 0.00 H ATOM 1577 H ARG A 102 -17.614 37.437 48.749 1.00 0.00 H ATOM 1578 N ALA A 103 -15.922 33.808 48.533 1.00 15.06 N ATOM 1579 CA ALA A 103 -16.465 32.532 48.976 1.00 16.59 C ATOM 1580 C ALA A 103 -16.691 32.663 50.461 1.00 17.90 C ATOM 1581 O ALA A 103 -16.013 33.486 51.115 1.00 20.47 O ATOM 1582 CB ALA A 103 -15.528 31.360 48.668 1.00 15.01 C ATOM 1583 HA ALA A 103 -17.391 32.312 48.444 1.00 0.00 H ATOM 1584 HB1 ALA A 103 -15.363 31.301 47.592 1.00 0.00 H ATOM 1585 HB2 ALA A 103 -14.575 31.515 49.175 1.00 0.00 H ATOM 1586 HB3 ALA A 103 -15.981 30.433 49.019 1.00 0.00 H ATOM 1587 H ALA A 103 -14.932 33.870 48.221 1.00 0.00 H ATOM 1588 N ASP A 104 -17.681 31.927 50.971 1.00 18.03 N ATOM 1589 CA ASP A 104 -18.024 32.011 52.353 1.00 20.45 C ATOM 1590 C ASP A 104 -17.137 30.989 53.106 1.00 23.07 C ATOM 1591 O ASP A 104 -16.394 31.354 53.994 1.00 26.38 O ATOM 1592 CB ASP A 104 -19.513 31.744 52.537 1.00 24.52 C ATOM 1593 CG ASP A 104 -19.987 32.005 53.989 1.00 29.26 C ATOM 1594 OD1 ASP A 104 -19.519 32.948 54.632 1.00 27.64 O ATOM 1595 OD2 ASP A 104 -20.839 31.271 54.483 1.00 33.55 O ATOM 1596 HA ASP A 104 -17.841 33.007 52.756 1.00 0.00 H ATOM 1597 HB2 ASP A 104 -20.071 32.395 51.864 1.00 0.00 H ATOM 1598 HB3 ASP A 104 -19.716 30.703 52.284 1.00 0.00 H ATOM 1599 H ASP A 104 -18.211 31.282 50.351 1.00 0.00 H ATOM 1600 N TYR A 105 -17.172 29.740 52.705 1.00 20.51 N ATOM 1601 CA TYR A 105 -16.368 28.716 53.317 1.00 20.28 C ATOM 1602 C TYR A 105 -15.164 28.408 52.433 1.00 21.68 C ATOM 1603 O TYR A 105 -15.283 28.403 51.205 1.00 21.02 O ATOM 1604 CB TYR A 105 -17.153 27.433 53.466 1.00 20.81 C ATOM 1605 CG TYR A 105 -16.278 26.209 53.706 1.00 23.16 C ATOM 1606 CD1 TYR A 105 -16.007 25.718 55.008 1.00 22.89 C ATOM 1607 CD2 TYR A 105 -15.770 25.510 52.635 1.00 25.37 C ATOM 1608 CE1 TYR A 105 -15.247 24.526 55.178 1.00 24.58 C ATOM 1609 CE2 TYR A 105 -15.027 24.346 52.785 1.00 25.14 C ATOM 1610 CZ TYR A 105 -14.773 23.855 54.043 1.00 24.39 C ATOM 1611 OH TYR A 105 -14.061 22.683 54.101 1.00 24.47 O ATOM 1612 HA TYR A 105 -16.056 29.082 54.295 1.00 0.00 H ATOM 1613 HB3 TYR A 105 -17.729 27.273 52.554 1.00 0.00 H ATOM 1614 HB2 TYR A 105 -17.834 27.541 54.310 1.00 0.00 H ATOM 1615 HD2 TYR A 105 -15.958 25.885 51.629 1.00 0.00 H ATOM 1616 HE2 TYR A 105 -14.647 23.824 51.907 1.00 0.00 H ATOM 1617 HE1 TYR A 105 -15.037 24.141 56.176 1.00 0.00 H ATOM 1618 HD1 TYR A 105 -16.381 26.254 55.880 1.00 0.00 H ATOM 1619 HH TYR A 105 -13.935 22.421 55.047 1.00 0.00 H ATOM 1620 H TYR A 105 -17.802 29.482 51.919 1.00 0.00 H ATOM 1621 N ILE A 106 -14.006 28.195 53.037 1.00 18.02 N ATOM 1622 CA ILE A 106 -12.871 27.818 52.237 1.00 18.86 C ATOM 1623 C ILE A 106 -12.069 26.750 52.994 1.00 21.26 C ATOM 1624 O ILE A 106 -12.084 26.694 54.220 1.00 18.93 O ATOM 1625 CB ILE A 106 -11.859 28.964 51.892 1.00 19.64 C ATOM 1626 CG1 ILE A 106 -11.255 29.560 53.187 1.00 21.02 C ATOM 1627 CG2 ILE A 106 -12.496 30.019 50.975 1.00 16.38 C ATOM 1628 CD1 ILE A 106 -10.232 30.733 52.923 1.00 22.14 C ATOM 1629 HA ILE A 106 -13.302 27.480 51.295 1.00 0.00 H ATOM 1630 HB ILE A 106 -11.030 28.543 51.323 1.00 0.00 H ATOM 1631 HG12 ILE A 106 -12.069 29.943 53.803 1.00 0.00 H ATOM 1632 HG13 ILE A 106 -10.738 28.765 53.724 1.00 0.00 H ATOM 1633 HD11 ILE A 106 -9.405 30.363 52.317 1.00 0.00 H ATOM 1634 HD12 ILE A 106 -10.737 31.542 52.395 1.00 0.00 H ATOM 1635 HD13 ILE A 106 -9.850 31.101 53.875 1.00 0.00 H ATOM 1636 HG21 ILE A 106 -12.814 29.546 50.046 1.00 0.00 H ATOM 1637 HG22 ILE A 106 -13.360 30.459 51.474 1.00 0.00 H ATOM 1638 HG23 ILE A 106 -11.765 30.798 50.757 1.00 0.00 H ATOM 1639 H ILE A 106 -13.918 28.298 54.068 1.00 0.00 H ATOM 1640 N LYS A 107 -11.395 25.896 52.232 1.00 19.34 N ATOM 1641 CA LYS A 107 -10.519 24.920 52.809 1.00 20.90 C ATOM 1642 C LYS A 107 -9.196 25.294 52.193 1.00 18.98 C ATOM 1643 O LYS A 107 -9.094 25.309 50.970 1.00 19.85 O ATOM 1644 CB LYS A 107 -10.889 23.496 52.367 1.00 18.57 C ATOM 1645 CG LYS A 107 -9.949 22.449 53.026 1.00 24.10 C ATOM 1646 CD LYS A 107 -10.131 20.994 52.524 1.00 28.22 C ATOM 1647 CE LYS A 107 -11.558 20.529 52.698 1.00 36.92 C ATOM 1648 NZ LYS A 107 -11.698 19.176 53.439 1.00 41.22 N ATOM 1649 HA LYS A 107 -10.545 24.918 53.899 1.00 0.00 H ATOM 1650 HB2 LYS A 107 -11.918 23.287 52.660 1.00 0.00 H ATOM 1651 HB3 LYS A 107 -10.800 23.424 51.283 1.00 0.00 H ATOM 1652 HG2 LYS A 107 -8.919 22.748 52.829 1.00 0.00 H ATOM 1653 HG3 LYS A 107 -10.131 22.461 54.101 1.00 0.00 H ATOM 1654 HD2 LYS A 107 -9.868 20.947 51.467 1.00 0.00 H ATOM 1655 HD3 LYS A 107 -9.471 20.337 53.091 1.00 0.00 H ATOM 1656 HE2 LYS A 107 -12.007 20.426 51.710 1.00 0.00 H ATOM 1657 HE3 LYS A 107 -12.098 21.287 53.265 1.00 0.00 H ATOM 1658 HZ1 LYS A 107 -11.198 18.437 52.905 1.00 0.00 H ATOM 1659 HZ2 LYS A 107 -11.285 19.259 54.390 1.00 0.00 H ATOM 1660 HZ3 LYS A 107 -12.705 18.928 53.518 1.00 0.00 H ATOM 1661 H LYS A 107 -11.505 25.936 51.199 1.00 0.00 H ATOM 1662 N VAL A 108 -8.186 25.499 53.019 1.00 20.60 N ATOM 1663 CA VAL A 108 -6.848 25.924 52.598 1.00 19.44 C ATOM 1664 C VAL A 108 -5.762 24.964 53.001 1.00 20.20 C ATOM 1665 O VAL A 108 -5.817 24.340 54.091 1.00 19.99 O ATOM 1666 CB VAL A 108 -6.466 27.363 53.235 1.00 23.14 C ATOM 1667 CG1 VAL A 108 -5.059 27.861 52.727 1.00 21.21 C ATOM 1668 CG2 VAL A 108 -7.513 28.371 52.931 1.00 23.45 C ATOM 1669 HA VAL A 108 -6.899 25.969 51.510 1.00 0.00 H ATOM 1670 HB VAL A 108 -6.409 27.238 54.316 1.00 0.00 H ATOM 1671 HG11 VAL A 108 -4.294 27.140 53.015 1.00 0.00 H ATOM 1672 HG12 VAL A 108 -5.079 27.957 51.641 1.00 0.00 H ATOM 1673 HG13 VAL A 108 -4.835 28.829 53.174 1.00 0.00 H ATOM 1674 HG21 VAL A 108 -7.609 28.479 51.851 1.00 0.00 H ATOM 1675 HG22 VAL A 108 -8.464 28.043 53.350 1.00 0.00 H ATOM 1676 HG23 VAL A 108 -7.232 29.328 53.370 1.00 0.00 H ATOM 1677 H VAL A 108 -8.351 25.349 54.035 1.00 0.00 H ATOM 1678 N ARG A 109 -4.791 24.792 52.115 1.00 19.52 N ATOM 1679 CA ARG A 109 -3.633 23.927 52.352 1.00 20.98 C ATOM 1680 C ARG A 109 -2.419 24.889 52.309 1.00 18.47 C ATOM 1681 O ARG A 109 -2.263 25.647 51.361 1.00 19.36 O ATOM 1682 CB ARG A 109 -3.536 22.892 51.237 1.00 21.48 C ATOM 1683 CG ARG A 109 -2.341 22.040 51.318 1.00 34.20 C ATOM 1684 CD ARG A 109 -2.169 21.164 50.053 1.00 41.65 C ATOM 1685 NE ARG A 109 -0.947 20.379 50.166 1.00 52.28 N ATOM 1686 CZ ARG A 109 -0.265 19.856 49.154 1.00 56.34 C ATOM 1687 NH1 ARG A 109 -0.703 20.026 47.903 1.00 61.34 N ATOM 1688 NH2 ARG A 109 0.869 19.190 49.390 1.00 57.37 N ATOM 1689 HA ARG A 109 -3.691 23.382 53.294 1.00 0.00 H ATOM 1690 HB2 ARG A 109 -4.418 22.253 51.284 1.00 0.00 H ATOM 1691 HB3 ARG A 109 -3.520 23.417 50.282 1.00 0.00 H ATOM 1692 HG2 ARG A 109 -1.462 22.675 51.429 1.00 0.00 H ATOM 1693 HG3 ARG A 109 -2.430 21.389 52.188 1.00 0.00 H ATOM 1694 HD2 ARG A 109 -2.109 21.804 49.173 1.00 0.00 H ATOM 1695 HD3 ARG A 109 -3.023 20.494 49.956 1.00 0.00 H ATOM 1696 HE ARG A 109 -0.576 20.214 51.124 1.00 0.00 H ATOM 1697 HH12 ARG A 109 -0.173 19.619 47.107 1.00 0.00 H ATOM 1698 HH11 ARG A 109 -1.574 20.566 47.726 1.00 0.00 H ATOM 1699 HH22 ARG A 109 1.405 18.779 48.599 1.00 0.00 H ATOM 1700 HH21 ARG A 109 1.216 19.082 50.365 1.00 0.00 H ATOM 1701 H ARG A 109 -4.855 25.296 51.207 1.00 0.00 H ATOM 1702 N ALA A 110 -1.584 24.877 53.330 1.00 17.73 N ATOM 1703 CA ALA A 110 -0.465 25.810 53.358 1.00 17.78 C ATOM 1704 C ALA A 110 0.667 25.234 54.184 1.00 18.92 C ATOM 1705 O ALA A 110 0.494 24.137 54.768 1.00 20.78 O ATOM 1706 CB ALA A 110 -0.906 27.078 53.968 1.00 13.64 C ATOM 1707 HA ALA A 110 -0.118 25.984 52.339 1.00 0.00 H ATOM 1708 HB1 ALA A 110 -1.720 27.500 53.378 1.00 0.00 H ATOM 1709 HB2 ALA A 110 -1.252 26.890 54.984 1.00 0.00 H ATOM 1710 HB3 ALA A 110 -0.071 27.779 53.991 1.00 0.00 H ATOM 1711 H ALA A 110 -1.724 24.205 54.111 1.00 0.00 H ATOM 1712 N GLN A 111 1.802 25.941 54.256 1.00 18.46 N ATOM 1713 CA GLN A 111 2.960 25.462 55.059 1.00 16.10 C ATOM 1714 C GLN A 111 3.252 26.424 56.226 1.00 17.40 C ATOM 1715 O GLN A 111 2.922 27.580 56.148 1.00 17.00 O ATOM 1716 CB GLN A 111 4.209 25.320 54.183 1.00 13.52 C ATOM 1717 CG GLN A 111 4.129 24.083 53.171 1.00 13.68 C ATOM 1718 CD GLN A 111 5.183 24.107 52.107 1.00 16.77 C ATOM 1719 OE1 GLN A 111 5.110 24.885 51.123 1.00 22.63 O ATOM 1720 NE2 GLN A 111 6.200 23.288 52.275 1.00 19.51 N ATOM 1721 HA GLN A 111 2.700 24.484 55.464 1.00 0.00 H ATOM 1722 HB2 GLN A 111 4.333 26.235 53.604 1.00 0.00 H ATOM 1723 HB3 GLN A 111 5.074 25.182 54.832 1.00 0.00 H ATOM 1724 HG2 GLN A 111 4.238 23.162 53.743 1.00 0.00 H ATOM 1725 HG3 GLN A 111 3.152 24.095 52.688 1.00 0.00 H ATOM 1726 HE22 GLN A 111 6.229 22.657 53.101 1.00 0.00 H ATOM 1727 HE21 GLN A 111 6.975 23.272 51.581 1.00 0.00 H ATOM 1728 H GLN A 111 1.876 26.842 53.741 1.00 0.00 H ATOM 1729 N ASN A 112 3.783 25.912 57.332 1.00 17.27 N ATOM 1730 CA ASN A 112 4.162 26.743 58.451 1.00 19.16 C ATOM 1731 C ASN A 112 5.693 27.077 58.276 1.00 22.21 C ATOM 1732 O ASN A 112 6.305 26.712 57.251 1.00 17.30 O ATOM 1733 CB ASN A 112 3.900 26.030 59.828 1.00 17.49 C ATOM 1734 CG ASN A 112 4.763 24.772 60.059 1.00 21.32 C ATOM 1735 OD1 ASN A 112 5.751 24.528 59.330 1.00 18.58 O ATOM 1736 ND2 ASN A 112 4.421 23.976 61.116 1.00 14.72 N ATOM 1737 HA ASN A 112 3.559 27.651 58.462 1.00 0.00 H ATOM 1738 HB2 ASN A 112 4.109 26.741 60.627 1.00 0.00 H ATOM 1739 HB3 ASN A 112 2.851 25.738 59.869 1.00 0.00 H ATOM 1740 HD22 ASN A 112 3.592 24.212 61.698 1.00 0.00 H ATOM 1741 HD21 ASN A 112 4.989 23.134 61.338 1.00 0.00 H ATOM 1742 H ASN A 112 3.930 24.884 57.393 1.00 0.00 H ATOM 1743 N ARG A 113 6.285 27.771 59.257 1.00 20.14 N ATOM 1744 CA ARG A 113 7.701 28.162 59.204 1.00 23.29 C ATOM 1745 C ARG A 113 8.676 27.038 58.994 1.00 24.03 C ATOM 1746 O ARG A 113 9.776 27.264 58.517 1.00 28.82 O ATOM 1747 CB ARG A 113 8.125 28.852 60.489 1.00 25.92 C ATOM 1748 CG ARG A 113 7.348 30.080 60.781 1.00 24.74 C ATOM 1749 CD ARG A 113 7.712 30.582 62.140 1.00 27.77 C ATOM 1750 NE ARG A 113 7.008 31.816 62.422 1.00 26.05 N ATOM 1751 CZ ARG A 113 7.066 32.455 63.584 1.00 29.30 C ATOM 1752 NH1 ARG A 113 7.815 31.960 64.586 1.00 27.82 N ATOM 1753 NH2 ARG A 113 6.387 33.596 63.732 1.00 26.57 N ATOM 1754 HA ARG A 113 7.742 28.818 58.334 1.00 0.00 H ATOM 1755 HB2 ARG A 113 7.993 28.154 61.316 1.00 0.00 H ATOM 1756 HB3 ARG A 113 9.178 29.121 60.406 1.00 0.00 H ATOM 1757 HG2 ARG A 113 7.578 30.843 60.037 1.00 0.00 H ATOM 1758 HG3 ARG A 113 6.282 29.853 60.749 1.00 0.00 H ATOM 1759 HD2 ARG A 113 8.786 30.762 62.182 1.00 0.00 H ATOM 1760 HD3 ARG A 113 7.441 29.834 62.885 1.00 0.00 H ATOM 1761 HE ARG A 113 6.421 32.227 61.668 1.00 0.00 H ATOM 1762 HH12 ARG A 113 7.861 32.460 65.497 1.00 0.00 H ATOM 1763 HH11 ARG A 113 8.348 31.077 64.450 1.00 0.00 H ATOM 1764 HH22 ARG A 113 6.422 34.109 64.636 1.00 0.00 H ATOM 1765 HH21 ARG A 113 5.823 33.972 62.943 1.00 0.00 H ATOM 1766 H ARG A 113 5.721 28.043 60.088 1.00 0.00 H ATOM 1767 N ARG A 114 8.303 25.836 59.395 1.00 23.49 N ATOM 1768 CA ARG A 114 9.200 24.716 59.241 1.00 23.43 C ATOM 1769 C ARG A 114 8.911 23.959 57.982 1.00 23.47 C ATOM 1770 O ARG A 114 9.468 22.936 57.757 1.00 20.37 O ATOM 1771 CB ARG A 114 9.092 23.802 60.449 1.00 26.34 C ATOM 1772 CG ARG A 114 9.229 24.634 61.685 1.00 31.67 C ATOM 1773 CD ARG A 114 9.925 23.935 62.765 1.00 42.80 C ATOM 1774 NE ARG A 114 9.093 22.886 63.283 1.00 48.07 N ATOM 1775 CZ ARG A 114 9.052 21.628 62.838 1.00 56.07 C ATOM 1776 NH1 ARG A 114 9.810 21.182 61.837 1.00 59.06 N ATOM 1777 NH2 ARG A 114 8.199 20.792 63.406 1.00 59.53 N ATOM 1778 HA ARG A 114 10.219 25.097 59.171 1.00 0.00 H ATOM 1779 HB2 ARG A 114 8.124 23.302 60.447 1.00 0.00 H ATOM 1780 HB3 ARG A 114 9.885 23.055 60.418 1.00 0.00 H ATOM 1781 HG2 ARG A 114 9.788 25.537 61.437 1.00 0.00 H ATOM 1782 HG3 ARG A 114 8.233 24.908 62.033 1.00 0.00 H ATOM 1783 HD2 ARG A 114 10.156 24.641 63.563 1.00 0.00 H ATOM 1784 HD3 ARG A 114 10.851 23.506 62.381 1.00 0.00 H ATOM 1785 HE ARG A 114 8.466 23.128 64.076 1.00 0.00 H ATOM 1786 HH12 ARG A 114 9.737 20.191 61.531 1.00 0.00 H ATOM 1787 HH11 ARG A 114 10.475 21.825 61.362 1.00 0.00 H ATOM 1788 HH22 ARG A 114 8.143 19.805 63.081 1.00 0.00 H ATOM 1789 HH21 ARG A 114 7.584 21.121 64.177 1.00 0.00 H ATOM 1790 H ARG A 114 7.364 25.697 59.821 1.00 0.00 H ATOM 1791 N GLY A 115 7.989 24.449 57.163 1.00 25.16 N ATOM 1792 CA GLY A 115 7.714 23.741 55.942 1.00 21.08 C ATOM 1793 C GLY A 115 6.743 22.609 56.061 1.00 20.98 C ATOM 1794 O GLY A 115 6.555 21.853 55.088 1.00 21.29 O ATOM 1795 HA3 GLY A 115 8.655 23.339 55.567 1.00 0.00 H ATOM 1796 HA2 GLY A 115 7.313 24.454 55.222 1.00 0.00 H ATOM 1797 H GLY A 115 7.478 25.324 57.398 1.00 0.00 H ATOM 1798 N LYS A 116 6.134 22.439 57.224 1.00 19.96 N ATOM 1799 CA LYS A 116 5.162 21.331 57.343 1.00 20.15 C ATOM 1800 C LYS A 116 3.835 21.779 56.747 1.00 19.08 C ATOM 1801 O LYS A 116 3.416 22.910 56.936 1.00 19.13 O ATOM 1802 CB LYS A 116 4.912 20.902 58.818 1.00 15.96 C ATOM 1803 CG LYS A 116 6.123 20.411 59.560 1.00 24.43 C ATOM 1804 CD LYS A 116 6.679 19.071 59.084 1.00 27.89 C ATOM 1805 CE LYS A 116 5.752 17.962 59.457 1.00 26.16 C ATOM 1806 NZ LYS A 116 6.378 16.635 59.237 1.00 21.58 N ATOM 1807 HA LYS A 116 5.580 20.475 56.813 1.00 0.00 H ATOM 1808 HB2 LYS A 116 4.513 21.762 59.356 1.00 0.00 H ATOM 1809 HB3 LYS A 116 4.172 20.102 58.815 1.00 0.00 H ATOM 1810 HG2 LYS A 116 6.909 21.159 59.455 1.00 0.00 H ATOM 1811 HG3 LYS A 116 5.856 20.311 60.612 1.00 0.00 H ATOM 1812 HD2 LYS A 116 6.795 19.094 58.000 1.00 0.00 H ATOM 1813 HD3 LYS A 116 7.650 18.899 59.548 1.00 0.00 H ATOM 1814 HE2 LYS A 116 4.850 18.034 58.849 1.00 0.00 H ATOM 1815 HE3 LYS A 116 5.488 18.059 60.510 1.00 0.00 H ATOM 1816 HZ1 LYS A 116 6.628 16.533 58.233 1.00 0.00 H ATOM 1817 HZ2 LYS A 116 7.237 16.557 59.819 1.00 0.00 H ATOM 1818 HZ3 LYS A 116 5.707 15.888 59.506 1.00 0.00 H ATOM 1819 H LYS A 116 6.333 23.066 58.030 1.00 0.00 H ATOM 1820 N VAL A 117 3.160 20.875 56.057 1.00 19.87 N ATOM 1821 CA VAL A 117 1.892 21.195 55.409 1.00 20.36 C ATOM 1822 C VAL A 117 0.698 20.959 56.356 1.00 20.34 C ATOM 1823 O VAL A 117 0.572 19.854 56.951 1.00 19.40 O ATOM 1824 CB VAL A 117 1.643 20.278 54.159 1.00 18.25 C ATOM 1825 CG1 VAL A 117 0.197 20.471 53.630 1.00 17.53 C ATOM 1826 CG2 VAL A 117 2.658 20.501 53.118 1.00 19.70 C ATOM 1827 HA VAL A 117 1.962 22.244 55.122 1.00 0.00 H ATOM 1828 HB VAL A 117 1.744 19.237 54.465 1.00 0.00 H ATOM 1829 HG11 VAL A 117 -0.513 20.207 54.413 1.00 0.00 H ATOM 1830 HG12 VAL A 117 0.053 21.513 53.343 1.00 0.00 H ATOM 1831 HG13 VAL A 117 0.040 19.829 52.764 1.00 0.00 H ATOM 1832 HG21 VAL A 117 2.624 21.542 52.796 1.00 0.00 H ATOM 1833 HG22 VAL A 117 3.645 20.276 53.521 1.00 0.00 H ATOM 1834 HG23 VAL A 117 2.454 19.850 52.268 1.00 0.00 H ATOM 1835 H VAL A 117 3.542 19.911 55.974 1.00 0.00 H ATOM 1836 N PHE A 118 -0.186 21.959 56.493 1.00 17.85 N ATOM 1837 CA PHE A 118 -1.358 21.758 57.316 1.00 18.20 C ATOM 1838 C PHE A 118 -2.603 22.048 56.494 1.00 19.70 C ATOM 1839 O PHE A 118 -2.525 22.615 55.408 1.00 21.62 O ATOM 1840 CB PHE A 118 -1.356 22.684 58.539 1.00 16.53 C ATOM 1841 CG PHE A 118 -1.112 24.171 58.201 1.00 20.12 C ATOM 1842 CD1 PHE A 118 -2.177 25.017 57.828 1.00 17.31 C ATOM 1843 CD2 PHE A 118 0.180 24.747 58.352 1.00 16.81 C ATOM 1844 CE1 PHE A 118 -1.978 26.423 57.620 1.00 18.27 C ATOM 1845 CE2 PHE A 118 0.384 26.147 58.147 1.00 18.63 C ATOM 1846 CZ PHE A 118 -0.717 26.981 57.783 1.00 19.91 C ATOM 1847 HA PHE A 118 -1.350 20.724 57.662 1.00 0.00 H ATOM 1848 HB2 PHE A 118 -2.323 22.599 59.035 1.00 0.00 H ATOM 1849 HB3 PHE A 118 -0.570 22.353 59.218 1.00 0.00 H ATOM 1850 HD2 PHE A 118 1.024 24.114 58.627 1.00 0.00 H ATOM 1851 HE2 PHE A 118 1.378 26.577 58.268 1.00 0.00 H ATOM 1852 HZ PHE A 118 -0.568 28.050 57.634 1.00 0.00 H ATOM 1853 HE1 PHE A 118 -2.819 27.054 57.333 1.00 0.00 H ATOM 1854 HD1 PHE A 118 -3.173 24.594 57.695 1.00 0.00 H ATOM 1855 H PHE A 118 -0.030 22.868 56.013 1.00 0.00 H ATOM 1856 N LEU A 119 -3.749 21.760 57.075 1.00 20.36 N ATOM 1857 CA LEU A 119 -5.036 21.988 56.424 1.00 23.15 C ATOM 1858 C LEU A 119 -5.861 22.872 57.323 1.00 24.11 C ATOM 1859 O LEU A 119 -5.992 22.585 58.533 1.00 23.00 O ATOM 1860 CB LEU A 119 -5.743 20.657 56.205 1.00 23.86 C ATOM 1861 CG LEU A 119 -5.280 19.885 54.975 1.00 31.69 C ATOM 1862 CD1 LEU A 119 -6.185 18.626 54.865 1.00 33.52 C ATOM 1863 CD2 LEU A 119 -5.442 20.684 53.704 1.00 28.91 C ATOM 1864 HA LEU A 119 -4.895 22.466 55.455 1.00 0.00 H ATOM 1865 HB2 LEU A 119 -5.572 20.033 57.082 1.00 0.00 H ATOM 1866 HB3 LEU A 119 -6.810 20.852 56.102 1.00 0.00 H ATOM 1867 HG LEU A 119 -4.223 19.645 55.087 1.00 0.00 H ATOM 1868 HD21 LEU A 119 -6.493 20.939 53.568 1.00 0.00 H ATOM 1869 HD22 LEU A 119 -4.851 21.597 53.773 1.00 0.00 H ATOM 1870 HD23 LEU A 119 -5.098 20.090 52.857 1.00 0.00 H ATOM 1871 HD11 LEU A 119 -6.075 18.021 55.765 1.00 0.00 H ATOM 1872 HD12 LEU A 119 -7.225 18.936 54.759 1.00 0.00 H ATOM 1873 HD13 LEU A 119 -5.888 18.041 53.994 1.00 0.00 H ATOM 1874 H LEU A 119 -3.737 21.355 58.033 1.00 0.00 H ATOM 1875 N LEU A 120 -6.441 23.921 56.754 1.00 19.82 N ATOM 1876 CA LEU A 120 -7.235 24.863 57.560 1.00 21.90 C ATOM 1877 C LEU A 120 -8.578 25.099 56.892 1.00 22.19 C ATOM 1878 O LEU A 120 -8.628 25.222 55.656 1.00 23.03 O ATOM 1879 CB LEU A 120 -6.494 26.223 57.648 1.00 19.20 C ATOM 1880 CG LEU A 120 -7.230 27.467 58.093 1.00 22.28 C ATOM 1881 CD1 LEU A 120 -7.555 27.345 59.620 1.00 24.83 C ATOM 1882 CD2 LEU A 120 -6.370 28.671 57.824 1.00 20.03 C ATOM 1883 HA LEU A 120 -7.377 24.443 58.556 1.00 0.00 H ATOM 1884 HB2 LEU A 120 -5.665 26.084 58.342 1.00 0.00 H ATOM 1885 HB3 LEU A 120 -6.101 26.431 56.653 1.00 0.00 H ATOM 1886 HG LEU A 120 -8.164 27.577 57.542 1.00 0.00 H ATOM 1887 HD21 LEU A 120 -5.436 28.580 58.378 1.00 0.00 H ATOM 1888 HD22 LEU A 120 -6.157 28.733 56.757 1.00 0.00 H ATOM 1889 HD23 LEU A 120 -6.896 29.571 58.143 1.00 0.00 H ATOM 1890 HD11 LEU A 120 -8.179 26.467 59.788 1.00 0.00 H ATOM 1891 HD12 LEU A 120 -6.626 27.245 60.181 1.00 0.00 H ATOM 1892 HD13 LEU A 120 -8.086 28.238 59.950 1.00 0.00 H ATOM 1893 H LEU A 120 -6.334 24.079 55.732 1.00 0.00 H ATOM 1894 N GLU A 121 -9.649 25.171 57.678 1.00 21.80 N ATOM 1895 CA GLU A 121 -10.942 25.471 57.105 1.00 21.54 C ATOM 1896 C GLU A 121 -11.415 26.758 57.723 1.00 20.58 C ATOM 1897 O GLU A 121 -11.259 26.948 58.885 1.00 23.93 O ATOM 1898 CB GLU A 121 -11.965 24.347 57.353 1.00 24.84 C ATOM 1899 CG GLU A 121 -11.659 23.044 56.578 1.00 25.02 C ATOM 1900 CD GLU A 121 -12.688 21.982 56.915 1.00 31.36 C ATOM 1901 OE1 GLU A 121 -13.818 21.969 56.346 1.00 34.79 O ATOM 1902 OE2 GLU A 121 -12.392 21.169 57.776 1.00 30.75 O ATOM 1903 HA GLU A 121 -10.848 25.562 56.023 1.00 0.00 H ATOM 1904 HB2 GLU A 121 -11.975 24.119 58.419 1.00 0.00 H ATOM 1905 HB3 GLU A 121 -12.949 24.704 57.050 1.00 0.00 H ATOM 1906 HG2 GLU A 121 -11.687 23.246 55.507 1.00 0.00 H ATOM 1907 HG3 GLU A 121 -10.667 22.685 56.853 1.00 0.00 H ATOM 1908 H GLU A 121 -9.556 25.012 58.702 1.00 0.00 H ATOM 1909 N ALA A 122 -11.961 27.673 56.933 1.00 20.54 N ATOM 1910 CA ALA A 122 -12.429 28.905 57.518 1.00 21.32 C ATOM 1911 C ALA A 122 -13.728 29.386 56.875 1.00 22.12 C ATOM 1912 O ALA A 122 -14.161 28.916 55.795 1.00 23.00 O ATOM 1913 CB ALA A 122 -11.383 29.972 57.396 1.00 16.06 C ATOM 1914 HA ALA A 122 -12.628 28.705 58.571 1.00 0.00 H ATOM 1915 HB1 ALA A 122 -10.479 29.653 57.914 1.00 0.00 H ATOM 1916 HB2 ALA A 122 -11.159 30.141 56.343 1.00 0.00 H ATOM 1917 HB3 ALA A 122 -11.753 30.895 57.843 1.00 0.00 H ATOM 1918 H ALA A 122 -12.050 27.505 55.911 1.00 0.00 H ATOM 1919 N GLU A 123 -14.349 30.331 57.522 1.00 22.63 N ATOM 1920 CA GLU A 123 -15.587 30.873 56.967 1.00 26.36 C ATOM 1921 C GLU A 123 -15.839 32.336 57.422 1.00 23.49 C ATOM 1922 O GLU A 123 -15.095 32.873 58.255 1.00 24.71 O ATOM 1923 CB GLU A 123 -16.754 29.965 57.360 1.00 29.85 C ATOM 1924 CG GLU A 123 -17.134 30.040 58.806 1.00 38.95 C ATOM 1925 CD GLU A 123 -18.310 29.102 59.183 1.00 45.71 C ATOM 1926 OE1 GLU A 123 -18.481 28.012 58.572 1.00 47.51 O ATOM 1927 OE2 GLU A 123 -19.060 29.470 60.115 1.00 49.39 O ATOM 1928 HA GLU A 123 -15.496 30.899 55.881 1.00 0.00 H ATOM 1929 HB2 GLU A 123 -17.622 30.247 56.764 1.00 0.00 H ATOM 1930 HB3 GLU A 123 -16.477 28.936 57.133 1.00 0.00 H ATOM 1931 HG2 GLU A 123 -16.267 29.765 59.406 1.00 0.00 H ATOM 1932 HG3 GLU A 123 -17.423 31.066 59.035 1.00 0.00 H ATOM 1933 H GLU A 123 -13.969 30.694 58.420 1.00 0.00 H ATOM 1934 N GLY A 124 -16.847 32.985 56.838 1.00 22.00 N ATOM 1935 CA GLY A 124 -17.187 34.347 57.200 1.00 17.72 C ATOM 1936 C GLY A 124 -16.009 35.299 57.048 1.00 21.19 C ATOM 1937 O GLY A 124 -15.241 35.242 56.114 1.00 17.54 O ATOM 1938 HA3 GLY A 124 -17.517 34.361 58.239 1.00 0.00 H ATOM 1939 HA2 GLY A 124 -17.998 34.688 56.557 1.00 0.00 H ATOM 1940 H GLY A 124 -17.403 32.502 56.104 1.00 0.00 H ATOM 1941 N PHE A 125 -15.822 36.158 58.029 1.00 19.88 N ATOM 1942 CA PHE A 125 -14.793 37.173 57.920 1.00 21.17 C ATOM 1943 C PHE A 125 -13.319 36.656 57.829 1.00 20.08 C ATOM 1944 O PHE A 125 -12.522 37.176 57.050 1.00 21.07 O ATOM 1945 CB PHE A 125 -15.012 38.187 59.047 1.00 18.55 C ATOM 1946 CG PHE A 125 -14.142 39.380 58.921 1.00 23.75 C ATOM 1947 CD1 PHE A 125 -14.409 40.343 57.951 1.00 22.50 C ATOM 1948 CD2 PHE A 125 -12.979 39.483 59.683 1.00 24.98 C ATOM 1949 CE1 PHE A 125 -13.506 41.393 57.731 1.00 28.81 C ATOM 1950 CE2 PHE A 125 -12.074 40.513 59.491 1.00 28.38 C ATOM 1951 CZ PHE A 125 -12.330 41.482 58.502 1.00 29.63 C ATOM 1952 HA PHE A 125 -14.908 37.650 56.947 1.00 0.00 H ATOM 1953 HB2 PHE A 125 -16.053 38.511 59.028 1.00 0.00 H ATOM 1954 HB3 PHE A 125 -14.802 37.701 60.000 1.00 0.00 H ATOM 1955 HD2 PHE A 125 -12.777 38.734 60.449 1.00 0.00 H ATOM 1956 HE2 PHE A 125 -11.172 40.573 60.100 1.00 0.00 H ATOM 1957 HZ PHE A 125 -11.624 42.295 58.334 1.00 0.00 H ATOM 1958 HE1 PHE A 125 -13.714 42.140 56.964 1.00 0.00 H ATOM 1959 HD1 PHE A 125 -15.323 40.280 57.361 1.00 0.00 H ATOM 1960 H PHE A 125 -16.414 36.108 58.883 1.00 0.00 H ATOM 1961 N LEU A 126 -12.975 35.615 58.572 1.00 15.73 N ATOM 1962 CA LEU A 126 -11.640 35.073 58.505 1.00 18.98 C ATOM 1963 C LEU A 126 -11.357 34.521 57.079 1.00 19.11 C ATOM 1964 O LEU A 126 -10.267 34.663 56.566 1.00 18.40 O ATOM 1965 CB LEU A 126 -11.470 33.953 59.573 1.00 16.93 C ATOM 1966 CG LEU A 126 -10.134 33.190 59.419 1.00 17.39 C ATOM 1967 CD1 LEU A 126 -8.907 34.134 59.581 1.00 16.55 C ATOM 1968 CD2 LEU A 126 -10.104 32.015 60.473 1.00 18.36 C ATOM 1969 HA LEU A 126 -10.921 35.865 58.714 1.00 0.00 H ATOM 1970 HB2 LEU A 126 -11.503 34.406 60.564 1.00 0.00 H ATOM 1971 HB3 LEU A 126 -12.292 33.244 59.471 1.00 0.00 H ATOM 1972 HG LEU A 126 -10.068 32.779 58.412 1.00 0.00 H ATOM 1973 HD21 LEU A 126 -10.183 32.428 61.478 1.00 0.00 H ATOM 1974 HD22 LEU A 126 -10.941 31.342 60.289 1.00 0.00 H ATOM 1975 HD23 LEU A 126 -9.167 31.466 60.377 1.00 0.00 H ATOM 1976 HD11 LEU A 126 -8.947 34.913 58.820 1.00 0.00 H ATOM 1977 HD12 LEU A 126 -8.929 34.590 60.571 1.00 0.00 H ATOM 1978 HD13 LEU A 126 -7.989 33.558 59.466 1.00 0.00 H ATOM 1979 H LEU A 126 -13.674 35.184 59.210 1.00 0.00 H ATOM 1980 N ALA A 127 -12.372 33.941 56.443 1.00 18.36 N ATOM 1981 CA ALA A 127 -12.233 33.370 55.106 1.00 15.52 C ATOM 1982 C ALA A 127 -12.058 34.527 54.117 1.00 19.12 C ATOM 1983 O ALA A 127 -11.333 34.388 53.114 1.00 17.46 O ATOM 1984 CB ALA A 127 -13.491 32.550 54.728 1.00 15.22 C ATOM 1985 HA ALA A 127 -11.373 32.701 55.078 1.00 0.00 H ATOM 1986 HB1 ALA A 127 -13.625 31.740 55.446 1.00 0.00 H ATOM 1987 HB2 ALA A 127 -14.366 33.200 54.745 1.00 0.00 H ATOM 1988 HB3 ALA A 127 -13.365 32.134 53.728 1.00 0.00 H ATOM 1989 H ALA A 127 -13.297 33.893 56.915 1.00 0.00 H ATOM 1990 N ARG A 128 -12.737 35.632 54.375 1.00 15.88 N ATOM 1991 CA ARG A 128 -12.582 36.789 53.505 1.00 16.51 C ATOM 1992 C ARG A 128 -11.129 37.337 53.592 1.00 18.03 C ATOM 1993 O ARG A 128 -10.492 37.612 52.611 1.00 16.93 O ATOM 1994 CB ARG A 128 -13.555 37.875 53.918 1.00 16.09 C ATOM 1995 CG ARG A 128 -13.415 39.250 53.124 1.00 13.54 C ATOM 1996 CD ARG A 128 -14.402 40.337 53.582 1.00 20.05 C ATOM 1997 NE ARG A 128 -15.796 39.955 53.319 1.00 16.37 N ATOM 1998 CZ ARG A 128 -16.363 40.035 52.116 1.00 23.90 C ATOM 1999 NH1 ARG A 128 -15.621 40.487 51.094 1.00 16.89 N ATOM 2000 NH2 ARG A 128 -17.655 39.641 51.910 1.00 19.28 N ATOM 2001 HA ARG A 128 -12.788 36.485 52.479 1.00 0.00 H ATOM 2002 HB2 ARG A 128 -14.566 37.498 53.765 1.00 0.00 H ATOM 2003 HB3 ARG A 128 -13.402 38.080 54.978 1.00 0.00 H ATOM 2004 HG2 ARG A 128 -12.401 39.626 53.263 1.00 0.00 H ATOM 2005 HG3 ARG A 128 -13.586 39.054 52.065 1.00 0.00 H ATOM 2006 HD2 ARG A 128 -14.182 41.261 53.047 1.00 0.00 H ATOM 2007 HD3 ARG A 128 -14.276 40.499 54.652 1.00 0.00 H ATOM 2008 HE ARG A 128 -16.370 39.604 54.112 1.00 0.00 H ATOM 2009 HH12 ARG A 128 -16.036 40.561 50.143 1.00 0.00 H ATOM 2010 HH11 ARG A 128 -14.631 40.764 51.253 1.00 0.00 H ATOM 2011 HH22 ARG A 128 -18.076 39.713 50.962 1.00 0.00 H ATOM 2012 HH21 ARG A 128 -18.218 39.269 52.702 1.00 0.00 H ATOM 2013 H ARG A 128 -13.377 35.674 55.194 1.00 0.00 H ATOM 2014 N ALA A 129 -10.643 37.511 54.796 1.00 17.06 N ATOM 2015 CA ALA A 129 -9.290 38.026 54.998 1.00 16.88 C ATOM 2016 C ALA A 129 -8.292 37.132 54.276 1.00 15.51 C ATOM 2017 O ALA A 129 -7.429 37.598 53.571 1.00 20.27 O ATOM 2018 CB ALA A 129 -9.002 38.073 56.536 1.00 16.29 C ATOM 2019 HA ALA A 129 -9.195 39.032 54.589 1.00 0.00 H ATOM 2020 HB1 ALA A 129 -9.726 38.728 57.020 1.00 0.00 H ATOM 2021 HB2 ALA A 129 -9.084 37.068 56.951 1.00 0.00 H ATOM 2022 HB3 ALA A 129 -7.995 38.455 56.704 1.00 0.00 H ATOM 2023 H ALA A 129 -11.230 37.279 55.622 1.00 0.00 H ATOM 2024 N ILE A 130 -8.439 35.822 54.435 1.00 19.45 N ATOM 2025 CA ILE A 130 -7.514 34.868 53.822 1.00 15.86 C ATOM 2026 C ILE A 130 -7.518 34.938 52.317 1.00 18.16 C ATOM 2027 O ILE A 130 -6.457 34.918 51.662 1.00 15.56 O ATOM 2028 CB ILE A 130 -7.799 33.413 54.290 1.00 17.77 C ATOM 2029 CG1 ILE A 130 -7.415 33.277 55.786 1.00 12.82 C ATOM 2030 CG2 ILE A 130 -6.970 32.390 53.400 1.00 14.26 C ATOM 2031 CD1 ILE A 130 -7.734 31.926 56.449 1.00 11.93 C ATOM 2032 HA ILE A 130 -6.519 35.157 54.161 1.00 0.00 H ATOM 2033 HB ILE A 130 -8.859 33.186 54.174 1.00 0.00 H ATOM 2034 HG12 ILE A 130 -6.341 33.444 55.870 1.00 0.00 H ATOM 2035 HG13 ILE A 130 -7.946 34.052 56.338 1.00 0.00 H ATOM 2036 HD11 ILE A 130 -8.807 31.741 56.395 1.00 0.00 H ATOM 2037 HD12 ILE A 130 -7.200 31.132 55.927 1.00 0.00 H ATOM 2038 HD13 ILE A 130 -7.420 31.952 57.493 1.00 0.00 H ATOM 2039 HG21 ILE A 130 -7.264 32.498 52.356 1.00 0.00 H ATOM 2040 HG22 ILE A 130 -5.906 32.601 53.503 1.00 0.00 H ATOM 2041 HG23 ILE A 130 -7.174 31.372 53.733 1.00 0.00 H ATOM 2042 H ILE A 130 -9.230 35.466 55.009 1.00 0.00 H ATOM 2043 N GLN A 131 -8.697 35.064 51.758 1.00 12.78 N ATOM 2044 CA GLN A 131 -8.771 35.153 50.300 1.00 15.38 C ATOM 2045 C GLN A 131 -8.111 36.448 49.808 1.00 16.63 C ATOM 2046 O GLN A 131 -7.452 36.473 48.737 1.00 17.54 O ATOM 2047 CB GLN A 131 -10.231 35.125 49.848 1.00 15.11 C ATOM 2048 CG GLN A 131 -10.859 33.699 49.929 1.00 18.28 C ATOM 2049 CD GLN A 131 -12.386 33.752 49.731 1.00 23.03 C ATOM 2050 OE1 GLN A 131 -12.821 33.852 48.625 1.00 22.20 O ATOM 2051 NE2 GLN A 131 -13.180 33.708 50.815 1.00 15.88 N ATOM 2052 HA GLN A 131 -8.242 34.300 49.875 1.00 0.00 H ATOM 2053 HB2 GLN A 131 -10.807 35.797 50.485 1.00 0.00 H ATOM 2054 HB3 GLN A 131 -10.284 35.471 48.816 1.00 0.00 H ATOM 2055 HG2 GLN A 131 -10.421 33.072 49.152 1.00 0.00 H ATOM 2056 HG3 GLN A 131 -10.641 33.269 50.907 1.00 0.00 H ATOM 2057 HE22 GLN A 131 -12.761 33.620 51.763 1.00 0.00 H ATOM 2058 HE21 GLN A 131 -14.213 33.762 50.706 1.00 0.00 H ATOM 2059 H GLN A 131 -9.560 35.100 52.338 1.00 0.00 H ATOM 2060 N HIS A 132 -8.354 37.540 50.551 1.00 14.64 N ATOM 2061 CA HIS A 132 -7.775 38.812 50.210 1.00 15.66 C ATOM 2062 C HIS A 132 -6.253 38.688 50.186 1.00 16.43 C ATOM 2063 O HIS A 132 -5.638 39.173 49.254 1.00 20.51 O ATOM 2064 CB HIS A 132 -8.187 39.847 51.271 1.00 16.26 C ATOM 2065 CG HIS A 132 -7.662 41.219 51.011 1.00 16.63 C ATOM 2066 ND1 HIS A 132 -8.477 42.237 50.585 1.00 17.71 N ATOM 2067 CD2 HIS A 132 -6.448 41.784 51.268 1.00 13.83 C ATOM 2068 CE1 HIS A 132 -7.794 43.375 50.604 1.00 22.62 C ATOM 2069 NE2 HIS A 132 -6.566 43.126 51.019 1.00 18.00 N ATOM 2070 HA HIS A 132 -8.127 39.128 49.228 1.00 0.00 H ATOM 2071 HB2 HIS A 132 -9.276 39.895 51.300 1.00 0.00 H ATOM 2072 HB3 HIS A 132 -7.814 39.514 52.239 1.00 0.00 H ATOM 2073 HD2 HIS A 132 -5.552 41.265 51.608 1.00 0.00 H ATOM 2074 HE1 HIS A 132 -8.183 44.354 50.323 1.00 0.00 H ATOM 2075 H HIS A 132 -8.970 37.465 51.386 1.00 0.00 H ATOM 2076 N GLU A 133 -5.651 38.068 51.215 1.00 15.17 N ATOM 2077 CA GLU A 133 -4.171 37.901 51.263 1.00 15.95 C ATOM 2078 C GLU A 133 -3.683 36.966 50.151 1.00 17.03 C ATOM 2079 O GLU A 133 -2.663 37.246 49.480 1.00 21.00 O ATOM 2080 CB GLU A 133 -3.716 37.287 52.575 1.00 16.06 C ATOM 2081 CG GLU A 133 -4.077 38.110 53.821 1.00 13.22 C ATOM 2082 CD GLU A 133 -3.703 39.577 53.682 1.00 18.52 C ATOM 2083 OE1 GLU A 133 -2.646 39.911 53.091 1.00 23.20 O ATOM 2084 OE2 GLU A 133 -4.455 40.435 54.204 1.00 22.74 O ATOM 2085 HA GLU A 133 -3.755 38.902 51.145 1.00 0.00 H ATOM 2086 HB2 GLU A 133 -4.178 36.304 52.670 1.00 0.00 H ATOM 2087 HB3 GLU A 133 -2.632 37.176 52.542 1.00 0.00 H ATOM 2088 HG2 GLU A 133 -5.152 38.038 53.988 1.00 0.00 H ATOM 2089 HG3 GLU A 133 -3.549 37.695 54.679 1.00 0.00 H ATOM 2090 H GLU A 133 -6.230 37.697 51.995 1.00 0.00 H ATOM 2091 N ILE A 134 -4.368 35.841 49.965 1.00 19.34 N ATOM 2092 CA ILE A 134 -3.947 34.889 48.899 1.00 18.83 C ATOM 2093 C ILE A 134 -3.973 35.650 47.538 1.00 18.59 C ATOM 2094 O ILE A 134 -2.993 35.592 46.748 1.00 19.51 O ATOM 2095 CB ILE A 134 -4.800 33.593 48.871 1.00 15.28 C ATOM 2096 CG1 ILE A 134 -4.575 32.850 50.208 1.00 19.47 C ATOM 2097 CG2 ILE A 134 -4.375 32.708 47.643 1.00 15.72 C ATOM 2098 CD1 ILE A 134 -5.106 31.409 50.380 1.00 11.87 C ATOM 2099 HA ILE A 134 -2.935 34.541 49.108 1.00 0.00 H ATOM 2100 HB ILE A 134 -5.860 33.822 48.759 1.00 0.00 H ATOM 2101 HG12 ILE A 134 -3.498 32.812 50.372 1.00 0.00 H ATOM 2102 HG13 ILE A 134 -5.039 33.454 50.988 1.00 0.00 H ATOM 2103 HD11 ILE A 134 -6.188 31.404 50.250 1.00 0.00 H ATOM 2104 HD12 ILE A 134 -4.646 30.762 49.633 1.00 0.00 H ATOM 2105 HD13 ILE A 134 -4.857 31.048 51.378 1.00 0.00 H ATOM 2106 HG21 ILE A 134 -4.535 33.267 46.721 1.00 0.00 H ATOM 2107 HG22 ILE A 134 -3.321 32.446 47.733 1.00 0.00 H ATOM 2108 HG23 ILE A 134 -4.976 31.799 47.627 1.00 0.00 H ATOM 2109 H ILE A 134 -5.193 35.627 50.561 1.00 0.00 H ATOM 2110 N ASP A 135 -5.012 36.435 47.305 1.00 13.97 N ATOM 2111 CA ASP A 135 -5.039 37.239 46.048 1.00 15.45 C ATOM 2112 C ASP A 135 -3.692 38.017 45.909 1.00 15.64 C ATOM 2113 O ASP A 135 -3.030 37.997 44.878 1.00 15.97 O ATOM 2114 CB ASP A 135 -6.202 38.210 46.086 1.00 13.81 C ATOM 2115 CG ASP A 135 -7.561 37.548 45.602 1.00 20.08 C ATOM 2116 OD1 ASP A 135 -7.582 36.331 45.369 1.00 17.46 O ATOM 2117 OD2 ASP A 135 -8.613 38.228 45.488 1.00 19.63 O ATOM 2118 HA ASP A 135 -5.164 36.578 45.190 1.00 0.00 H ATOM 2119 HB2 ASP A 135 -6.330 38.563 47.109 1.00 0.00 H ATOM 2120 HB3 ASP A 135 -5.974 39.055 45.437 1.00 0.00 H ATOM 2121 H ASP A 135 -5.796 36.491 47.986 1.00 0.00 H ATOM 2122 N HIS A 136 -3.296 38.695 46.964 1.00 14.49 N ATOM 2123 CA HIS A 136 -2.044 39.477 46.950 1.00 16.41 C ATOM 2124 C HIS A 136 -0.845 38.655 46.516 1.00 15.01 C ATOM 2125 O HIS A 136 0.003 39.175 45.839 1.00 16.08 O ATOM 2126 CB HIS A 136 -1.716 40.014 48.342 1.00 15.82 C ATOM 2127 CG HIS A 136 -2.319 41.353 48.632 1.00 15.30 C ATOM 2128 ND1 HIS A 136 -2.011 42.496 47.910 1.00 17.72 N ATOM 2129 CD2 HIS A 136 -3.196 41.735 49.586 1.00 15.78 C ATOM 2130 CE1 HIS A 136 -2.663 43.528 48.429 1.00 15.90 C ATOM 2131 NE2 HIS A 136 -3.372 43.094 49.457 1.00 18.50 N ATOM 2132 HA HIS A 136 -2.220 40.284 46.239 1.00 0.00 H ATOM 2133 HB2 HIS A 136 -2.086 39.303 49.081 1.00 0.00 H ATOM 2134 HB3 HIS A 136 -0.633 40.098 48.432 1.00 0.00 H ATOM 2135 HD2 HIS A 136 -3.675 41.088 50.321 1.00 0.00 H ATOM 2136 HE1 HIS A 136 -2.621 44.556 48.070 1.00 0.00 H ATOM 2137 H HIS A 136 -3.877 38.680 47.826 1.00 0.00 H ATOM 2138 N LEU A 137 -0.768 37.410 46.968 1.00 12.41 N ATOM 2139 CA LEU A 137 0.361 36.522 46.640 1.00 16.99 C ATOM 2140 C LEU A 137 0.372 36.197 45.162 1.00 19.16 C ATOM 2141 O LEU A 137 1.398 35.746 44.637 1.00 14.26 O ATOM 2142 CB LEU A 137 0.281 35.228 47.418 1.00 12.95 C ATOM 2143 CG LEU A 137 0.248 35.527 48.941 1.00 13.30 C ATOM 2144 CD1 LEU A 137 0.308 34.218 49.728 1.00 12.96 C ATOM 2145 CD2 LEU A 137 1.400 36.491 49.365 1.00 10.09 C ATOM 2146 HA LEU A 137 1.276 37.049 46.910 1.00 0.00 H ATOM 2147 HB2 LEU A 137 -0.625 34.692 47.135 1.00 0.00 H ATOM 2148 HB3 LEU A 137 1.152 34.614 47.189 1.00 0.00 H ATOM 2149 HG LEU A 137 -0.690 36.034 49.169 1.00 0.00 H ATOM 2150 HD21 LEU A 137 2.360 36.035 49.125 1.00 0.00 H ATOM 2151 HD22 LEU A 137 1.299 37.434 48.827 1.00 0.00 H ATOM 2152 HD23 LEU A 137 1.342 36.675 50.438 1.00 0.00 H ATOM 2153 HD11 LEU A 137 -0.548 33.597 49.464 1.00 0.00 H ATOM 2154 HD12 LEU A 137 1.230 33.691 49.484 1.00 0.00 H ATOM 2155 HD13 LEU A 137 0.284 34.436 50.796 1.00 0.00 H ATOM 2156 H LEU A 137 -1.531 37.048 47.575 1.00 0.00 H ATOM 2157 N HIS A 138 -0.775 36.401 44.499 1.00 16.55 N ATOM 2158 CA HIS A 138 -0.817 36.136 43.056 1.00 19.46 C ATOM 2159 C HIS A 138 -0.900 37.416 42.234 1.00 18.50 C ATOM 2160 O HIS A 138 -1.186 37.377 41.046 1.00 19.40 O ATOM 2161 CB HIS A 138 -1.937 35.160 42.739 1.00 21.34 C ATOM 2162 CG HIS A 138 -1.723 33.824 43.356 1.00 25.34 C ATOM 2163 ND1 HIS A 138 -0.888 32.871 42.798 1.00 26.34 N ATOM 2164 CD2 HIS A 138 -2.081 33.347 44.582 1.00 27.42 C ATOM 2165 CE1 HIS A 138 -0.723 31.876 43.665 1.00 30.32 C ATOM 2166 NE2 HIS A 138 -1.431 32.138 44.756 1.00 28.07 N ATOM 2167 HA HIS A 138 0.124 35.669 42.766 1.00 0.00 H ATOM 2168 HB2 HIS A 138 -2.875 35.571 43.112 1.00 0.00 H ATOM 2169 HB3 HIS A 138 -2.000 35.039 41.658 1.00 0.00 H ATOM 2170 HD2 HIS A 138 -2.753 33.828 45.292 1.00 0.00 H ATOM 2171 HE1 HIS A 138 -0.107 30.991 43.505 1.00 0.00 H ATOM 2172 H HIS A 138 -1.621 36.741 44.999 1.00 0.00 H ATOM 2173 N GLY A 139 -0.574 38.533 42.869 1.00 16.42 N ATOM 2174 CA GLY A 139 -0.584 39.803 42.179 1.00 16.86 C ATOM 2175 C GLY A 139 -1.994 40.343 41.879 1.00 18.35 C ATOM 2176 O GLY A 139 -2.159 41.124 40.945 1.00 17.82 O ATOM 2177 HA3 GLY A 139 -0.054 39.684 41.234 1.00 0.00 H ATOM 2178 HA2 GLY A 139 -0.062 40.533 42.797 1.00 0.00 H ATOM 2179 H GLY A 139 -0.308 38.495 43.874 1.00 0.00 H ATOM 2180 N VAL A 140 -2.982 39.937 42.656 1.00 16.18 N ATOM 2181 CA VAL A 140 -4.376 40.366 42.440 1.00 17.40 C ATOM 2182 C VAL A 140 -4.751 41.328 43.584 1.00 17.95 C ATOM 2183 O VAL A 140 -4.559 40.978 44.772 1.00 15.27 O ATOM 2184 CB VAL A 140 -5.341 39.110 42.431 1.00 17.61 C ATOM 2185 CG1 VAL A 140 -6.839 39.596 42.360 1.00 14.62 C ATOM 2186 CG2 VAL A 140 -5.077 38.234 41.118 1.00 19.11 C ATOM 2187 HA VAL A 140 -4.477 40.867 41.477 1.00 0.00 H ATOM 2188 HB VAL A 140 -5.156 38.528 43.334 1.00 0.00 H ATOM 2189 HG11 VAL A 140 -7.060 40.217 43.228 1.00 0.00 H ATOM 2190 HG12 VAL A 140 -6.989 40.176 41.449 1.00 0.00 H ATOM 2191 HG13 VAL A 140 -7.501 38.730 42.354 1.00 0.00 H ATOM 2192 HG21 VAL A 140 -5.267 38.842 40.233 1.00 0.00 H ATOM 2193 HG22 VAL A 140 -4.041 37.894 41.112 1.00 0.00 H ATOM 2194 HG23 VAL A 140 -5.744 37.372 41.118 1.00 0.00 H ATOM 2195 H VAL A 140 -2.770 39.294 43.445 1.00 0.00 H ATOM 2196 N LEU A 141 -5.239 42.537 43.244 1.00 18.19 N ATOM 2197 CA LEU A 141 -5.602 43.558 44.236 1.00 18.56 C ATOM 2198 C LEU A 141 -7.127 43.533 44.330 1.00 18.58 C ATOM 2199 O LEU A 141 -7.753 43.194 43.359 1.00 19.42 O ATOM 2200 CB LEU A 141 -5.091 44.930 43.764 1.00 19.13 C ATOM 2201 CG LEU A 141 -3.544 44.862 43.554 1.00 20.58 C ATOM 2202 CD1 LEU A 141 -2.994 46.170 43.092 1.00 14.63 C ATOM 2203 CD2 LEU A 141 -2.894 44.456 44.907 1.00 17.55 C ATOM 2204 HA LEU A 141 -5.158 43.366 45.213 1.00 0.00 H ATOM 2205 HB2 LEU A 141 -5.575 45.195 42.824 1.00 0.00 H ATOM 2206 HB3 LEU A 141 -5.324 45.684 44.516 1.00 0.00 H ATOM 2207 HG LEU A 141 -3.318 44.128 42.780 1.00 0.00 H ATOM 2208 HD21 LEU A 141 -3.140 45.200 45.664 1.00 0.00 H ATOM 2209 HD22 LEU A 141 -3.276 43.483 45.215 1.00 0.00 H ATOM 2210 HD23 LEU A 141 -1.812 44.401 44.787 1.00 0.00 H ATOM 2211 HD11 LEU A 141 -3.459 46.444 42.145 1.00 0.00 H ATOM 2212 HD12 LEU A 141 -3.207 46.936 43.838 1.00 0.00 H ATOM 2213 HD13 LEU A 141 -1.916 46.082 42.957 1.00 0.00 H ATOM 2214 H LEU A 141 -5.364 42.757 42.235 1.00 0.00 H ATOM 2215 N PHE A 142 -7.714 43.933 45.451 1.00 17.90 N ATOM 2216 CA PHE A 142 -9.172 43.843 45.618 1.00 17.36 C ATOM 2217 C PHE A 142 -9.981 44.714 44.703 1.00 20.28 C ATOM 2218 O PHE A 142 -11.189 44.515 44.483 1.00 21.85 O ATOM 2219 CB PHE A 142 -9.588 44.107 47.061 1.00 20.38 C ATOM 2220 CG PHE A 142 -9.671 45.566 47.436 1.00 20.97 C ATOM 2221 CD1 PHE A 142 -10.889 46.100 47.834 1.00 18.43 C ATOM 2222 CD2 PHE A 142 -8.528 46.398 47.413 1.00 19.80 C ATOM 2223 CE1 PHE A 142 -10.987 47.471 48.209 1.00 17.61 C ATOM 2224 CE2 PHE A 142 -8.586 47.815 47.810 1.00 19.49 C ATOM 2225 CZ PHE A 142 -9.829 48.332 48.204 1.00 22.47 C ATOM 2226 HA PHE A 142 -9.399 42.815 45.337 1.00 0.00 H ATOM 2227 HB2 PHE A 142 -10.569 43.659 47.219 1.00 0.00 H ATOM 2228 HB3 PHE A 142 -8.861 43.628 47.717 1.00 0.00 H ATOM 2229 HD2 PHE A 142 -7.575 45.978 47.092 1.00 0.00 H ATOM 2230 HE2 PHE A 142 -7.694 48.441 47.798 1.00 0.00 H ATOM 2231 HZ PHE A 142 -9.919 49.376 48.504 1.00 0.00 H ATOM 2232 HE1 PHE A 142 -11.954 47.877 48.505 1.00 0.00 H ATOM 2233 HD1 PHE A 142 -11.776 45.467 47.860 1.00 0.00 H ATOM 2234 H PHE A 142 -7.133 44.316 46.224 1.00 0.00 H ATOM 2235 N THR A 143 -9.272 45.685 44.173 1.00 20.37 N ATOM 2236 CA THR A 143 -9.761 46.696 43.247 1.00 21.84 C ATOM 2237 C THR A 143 -10.368 46.010 42.007 1.00 24.15 C ATOM 2238 O THR A 143 -11.391 46.478 41.453 1.00 23.90 O ATOM 2239 CB THR A 143 -8.511 47.540 43.076 1.00 21.39 C ATOM 2240 OG1 THR A 143 -8.822 48.876 43.352 1.00 30.79 O ATOM 2241 CG2 THR A 143 -7.782 47.227 41.979 1.00 16.95 C ATOM 2242 HA THR A 143 -10.593 47.330 43.552 1.00 0.00 H ATOM 2243 HB THR A 143 -7.756 47.290 43.821 1.00 0.00 H ATOM 2244 HG1 THR A 143 -9.523 49.186 42.726 1.00 0.00 H ATOM 2245 HG23 THR A 143 -7.643 46.147 41.933 1.00 0.00 H ATOM 2246 HG21 THR A 143 -8.308 47.566 41.086 1.00 0.00 H ATOM 2247 HG22 THR A 143 -6.810 47.717 42.038 1.00 0.00 H ATOM 2248 H THR A 143 -8.268 45.736 44.440 1.00 0.00 H ATOM 2249 N SER A 144 -9.776 44.870 41.615 1.00 22.33 N ATOM 2250 CA SER A 144 -10.217 44.071 40.462 1.00 23.46 C ATOM 2251 C SER A 144 -11.516 43.322 40.772 1.00 24.07 C ATOM 2252 O SER A 144 -12.132 42.776 39.863 1.00 25.41 O ATOM 2253 CB SER A 144 -9.182 42.984 40.131 1.00 22.41 C ATOM 2254 OG SER A 144 -8.011 43.562 39.593 1.00 26.46 O ATOM 2255 HA SER A 144 -10.351 44.770 39.636 1.00 0.00 H ATOM 2256 HB2 SER A 144 -9.608 42.293 39.404 1.00 0.00 H ATOM 2257 HB3 SER A 144 -8.928 42.441 41.041 1.00 0.00 H ATOM 2258 HG SER A 144 -7.357 42.848 39.386 1.00 0.00 H ATOM 2259 H SER A 144 -8.957 44.532 42.159 1.00 0.00 H ATOM 2260 N LYS A 145 -11.918 43.283 42.038 1.00 22.52 N ATOM 2261 CA LYS A 145 -13.121 42.532 42.418 1.00 23.90 C ATOM 2262 C LYS A 145 -14.194 43.378 43.090 1.00 27.12 C ATOM 2263 O LYS A 145 -15.201 42.839 43.572 1.00 27.56 O ATOM 2264 CB LYS A 145 -12.729 41.366 43.339 1.00 25.13 C ATOM 2265 CG LYS A 145 -11.838 40.319 42.617 1.00 25.48 C ATOM 2266 CD LYS A 145 -11.393 39.150 43.565 1.00 25.94 C ATOM 2267 CE LYS A 145 -10.642 38.104 42.699 1.00 22.08 C ATOM 2268 NZ LYS A 145 -10.065 36.998 43.452 1.00 21.26 N ATOM 2269 HA LYS A 145 -13.560 42.166 41.490 1.00 0.00 H ATOM 2270 HB2 LYS A 145 -12.181 41.763 44.194 1.00 0.00 H ATOM 2271 HB3 LYS A 145 -13.637 40.874 43.687 1.00 0.00 H ATOM 2272 HG2 LYS A 145 -12.399 39.898 41.783 1.00 0.00 H ATOM 2273 HG3 LYS A 145 -10.947 40.820 42.238 1.00 0.00 H ATOM 2274 HD2 LYS A 145 -10.732 39.533 44.343 1.00 0.00 H ATOM 2275 HD3 LYS A 145 -12.268 38.692 44.027 1.00 0.00 H ATOM 2276 HE2 LYS A 145 -9.836 38.614 42.171 1.00 0.00 H ATOM 2277 HE3 LYS A 145 -11.346 37.693 41.975 1.00 0.00 H ATOM 2278 HZ1 LYS A 145 -9.380 37.369 44.141 1.00 0.00 H ATOM 2279 HZ2 LYS A 145 -10.821 36.490 43.953 1.00 0.00 H ATOM 2280 HZ3 LYS A 145 -9.584 36.349 42.798 1.00 0.00 H ATOM 2281 H LYS A 145 -11.375 43.789 42.767 1.00 0.00 H ATOM 2282 N VAL A 146 -13.979 44.688 43.129 1.00 26.07 N ATOM 2283 CA VAL A 146 -14.944 45.549 43.728 1.00 27.92 C ATOM 2284 C VAL A 146 -16.220 45.648 42.911 1.00 29.34 C ATOM 2285 O VAL A 146 -16.216 45.892 41.715 1.00 31.86 O ATOM 2286 CB VAL A 146 -14.383 46.935 43.959 1.00 27.63 C ATOM 2287 CG1 VAL A 146 -15.497 47.899 44.385 1.00 25.37 C ATOM 2288 CG2 VAL A 146 -13.395 46.844 45.108 1.00 26.55 C ATOM 2289 HA VAL A 146 -15.192 45.099 44.689 1.00 0.00 H ATOM 2290 HB VAL A 146 -13.919 47.296 43.041 1.00 0.00 H ATOM 2291 HG11 VAL A 146 -16.253 47.948 43.601 1.00 0.00 H ATOM 2292 HG12 VAL A 146 -15.952 47.541 45.309 1.00 0.00 H ATOM 2293 HG13 VAL A 146 -15.075 48.891 44.547 1.00 0.00 H ATOM 2294 HG21 VAL A 146 -13.909 46.488 46.001 1.00 0.00 H ATOM 2295 HG22 VAL A 146 -12.597 46.149 44.845 1.00 0.00 H ATOM 2296 HG23 VAL A 146 -12.971 47.830 45.300 1.00 0.00 H ATOM 2297 H VAL A 146 -13.108 45.085 42.723 1.00 0.00 H ATOM 2298 N THR A 147 -17.327 45.439 43.582 1.00 31.04 N ATOM 2299 CA THR A 147 -18.626 45.553 42.941 1.00 33.24 C ATOM 2300 C THR A 147 -18.986 47.073 42.770 1.00 33.92 C ATOM 2301 O THR A 147 -19.464 47.523 41.718 1.00 34.03 O ATOM 2302 CB THR A 147 -19.608 44.836 43.844 1.00 34.57 C ATOM 2303 OG1 THR A 147 -20.482 44.080 43.049 1.00 37.78 O ATOM 2304 CG2 THR A 147 -20.370 45.781 44.704 1.00 36.62 C ATOM 2305 HA THR A 147 -18.644 45.108 41.946 1.00 0.00 H ATOM 2306 HB THR A 147 -19.050 44.183 44.515 1.00 0.00 H ATOM 2307 HG1 THR A 147 -21.129 43.607 43.630 1.00 0.00 H ATOM 2308 HG23 THR A 147 -19.674 46.358 45.313 1.00 0.00 H ATOM 2309 HG21 THR A 147 -20.950 46.456 44.075 1.00 0.00 H ATOM 2310 HG22 THR A 147 -21.042 45.219 45.352 1.00 0.00 H ATOM 2311 H THR A 147 -17.274 45.187 44.590 1.00 0.00 H ATOM 2312 N ARG A 148 -18.767 47.842 43.829 1.00 34.24 N ATOM 2313 CA ARG A 148 -18.981 49.272 43.846 1.00 32.50 C ATOM 2314 C ARG A 148 -18.160 49.811 44.989 1.00 32.52 C ATOM 2315 O ARG A 148 -17.938 49.100 45.960 1.00 28.90 O ATOM 2316 CB ARG A 148 -20.458 49.607 44.102 1.00 37.15 C ATOM 2317 CG ARG A 148 -21.103 48.773 45.163 1.00 38.83 C ATOM 2318 CD ARG A 148 -22.623 49.033 45.278 1.00 43.79 C ATOM 2319 NE ARG A 148 -22.816 50.345 45.841 1.00 43.64 N ATOM 2320 CZ ARG A 148 -23.029 50.583 47.126 1.00 43.11 C ATOM 2321 NH1 ARG A 148 -23.122 49.598 47.993 1.00 43.74 N ATOM 2322 NH2 ARG A 148 -23.017 51.826 47.566 1.00 41.43 N ATOM 2323 HA ARG A 148 -18.699 49.706 42.887 1.00 0.00 H ATOM 2324 HB2 ARG A 148 -20.524 50.653 44.402 1.00 0.00 H ATOM 2325 HB3 ARG A 148 -21.008 49.462 43.172 1.00 0.00 H ATOM 2326 HG2 ARG A 148 -20.945 47.721 44.925 1.00 0.00 H ATOM 2327 HG3 ARG A 148 -20.635 49.002 46.121 1.00 0.00 H ATOM 2328 HD2 ARG A 148 -23.078 48.283 45.925 1.00 0.00 H ATOM 2329 HD3 ARG A 148 -23.081 48.984 44.290 1.00 0.00 H ATOM 2330 HE ARG A 148 -22.786 51.160 45.195 1.00 0.00 H ATOM 2331 HH12 ARG A 148 -23.290 49.804 48.998 1.00 0.00 H ATOM 2332 HH11 ARG A 148 -23.028 48.613 47.673 1.00 0.00 H ATOM 2333 HH22 ARG A 148 -23.183 52.023 48.574 1.00 0.00 H ATOM 2334 HH21 ARG A 148 -22.841 52.610 46.905 1.00 0.00 H ATOM 2335 H ARG A 148 -18.421 47.389 44.699 1.00 0.00 H ATOM 2336 N TYR A 149 -17.698 51.052 44.882 1.00 32.76 N ATOM 2337 CA TYR A 149 -16.982 51.642 46.005 1.00 34.12 C ATOM 2338 C TYR A 149 -18.028 52.332 46.807 1.00 35.34 C ATOM 2339 O TYR A 149 -19.049 52.716 46.278 1.00 34.51 O ATOM 2340 CB TYR A 149 -15.902 52.635 45.582 1.00 30.19 C ATOM 2341 CG TYR A 149 -14.774 51.927 44.888 1.00 31.37 C ATOM 2342 CD1 TYR A 149 -14.779 51.773 43.502 1.00 30.41 C ATOM 2343 CD2 TYR A 149 -13.744 51.324 45.617 1.00 29.90 C ATOM 2344 CE1 TYR A 149 -13.806 51.037 42.863 1.00 31.52 C ATOM 2345 CE2 TYR A 149 -12.746 50.569 44.971 1.00 27.99 C ATOM 2346 CZ TYR A 149 -12.798 50.437 43.612 1.00 29.51 C ATOM 2347 OH TYR A 149 -11.868 49.698 42.951 1.00 33.17 O ATOM 2348 HA TYR A 149 -16.451 50.869 46.560 1.00 0.00 H ATOM 2349 HB3 TYR A 149 -15.516 53.143 46.466 1.00 0.00 H ATOM 2350 HB2 TYR A 149 -16.336 53.369 44.903 1.00 0.00 H ATOM 2351 HD2 TYR A 149 -13.713 51.440 46.700 1.00 0.00 H ATOM 2352 HE2 TYR A 149 -11.947 50.099 45.544 1.00 0.00 H ATOM 2353 HE1 TYR A 149 -13.825 50.925 41.779 1.00 0.00 H ATOM 2354 HD1 TYR A 149 -15.567 52.243 42.914 1.00 0.00 H ATOM 2355 HH TYR A 149 -12.063 49.715 41.981 1.00 0.00 H ATOM 2356 H TYR A 149 -17.846 51.595 44.008 1.00 0.00 H ATOM 2357 N TYR A 150 -17.807 52.445 48.105 1.00 37.21 N ATOM 2358 CA TYR A 150 -18.786 53.125 48.916 1.00 39.72 C ATOM 2359 C TYR A 150 -18.597 54.645 48.806 1.00 43.96 C ATOM 2360 O TYR A 150 -17.500 55.128 48.460 1.00 41.65 O ATOM 2361 CB TYR A 150 -18.672 52.661 50.357 1.00 37.18 C ATOM 2362 CG TYR A 150 -18.893 51.172 50.482 1.00 36.84 C ATOM 2363 CD1 TYR A 150 -17.825 50.307 50.662 1.00 36.42 C ATOM 2364 CD2 TYR A 150 -20.167 50.634 50.413 1.00 34.01 C ATOM 2365 CE1 TYR A 150 -18.020 48.916 50.781 1.00 36.33 C ATOM 2366 CE2 TYR A 150 -20.373 49.253 50.530 1.00 36.01 C ATOM 2367 CZ TYR A 150 -19.297 48.390 50.720 1.00 36.39 C ATOM 2368 OH TYR A 150 -19.499 47.020 50.896 1.00 33.32 O ATOM 2369 HA TYR A 150 -19.786 52.883 48.557 1.00 0.00 H ATOM 2370 HB3 TYR A 150 -19.419 53.181 50.956 1.00 0.00 H ATOM 2371 HB2 TYR A 150 -17.677 52.903 50.729 1.00 0.00 H ATOM 2372 HD2 TYR A 150 -21.022 51.294 50.266 1.00 0.00 H ATOM 2373 HE2 TYR A 150 -21.384 48.851 50.472 1.00 0.00 H ATOM 2374 HE1 TYR A 150 -17.164 48.255 50.921 1.00 0.00 H ATOM 2375 HD1 TYR A 150 -16.814 50.711 50.713 1.00 0.00 H ATOM 2376 HH TYR A 150 -19.955 46.650 50.099 1.00 0.00 H ATOM 2377 H TYR A 150 -16.945 52.051 48.533 1.00 0.00 H ATOM 2378 N GLU A 151 -19.688 55.367 49.079 1.00 47.56 N ATOM 2379 CA GLU A 151 -19.714 56.829 49.043 1.00 53.03 C ATOM 2380 C GLU A 151 -19.117 57.411 50.332 1.00 52.67 C ATOM 2381 O GLU A 151 -18.848 56.663 51.275 1.00 50.90 O ATOM 2382 CB GLU A 151 -21.159 57.328 48.860 1.00 56.98 C ATOM 2383 CG GLU A 151 -22.181 56.758 49.881 1.00 63.94 C ATOM 2384 CD GLU A 151 -23.554 57.468 49.844 1.00 67.65 C ATOM 2385 OE1 GLU A 151 -23.636 58.646 50.282 1.00 70.45 O ATOM 2386 OE2 GLU A 151 -24.549 56.850 49.380 1.00 68.06 O ATOM 2387 HA GLU A 151 -19.112 57.165 48.199 1.00 0.00 H ATOM 2388 HB2 GLU A 151 -21.157 58.414 48.953 1.00 0.00 H ATOM 2389 HB3 GLU A 151 -21.489 57.051 47.859 1.00 0.00 H ATOM 2390 HG2 GLU A 151 -22.333 55.701 49.663 1.00 0.00 H ATOM 2391 HG3 GLU A 151 -21.764 56.865 50.883 1.00 0.00 H ATOM 2392 H GLU A 151 -20.563 54.864 49.330 1.00 0.00 H TER 2393 GLU A 151 HETATM 2394 O HOH 2 5.103 40.573 44.473 1.00 20.19 O HETATM 2395 O HOH 3 -0.001 42.106 45.990 1.00 16.06 O HETATM 2396 O HOH 4 -0.101 31.142 47.186 1.00 15.93 O HETATM 2397 O HOH 5 -16.797 38.596 55.674 1.00 20.22 O HETATM 2398 O HOH 6 -1.391 18.279 58.091 1.00 20.40 O HETATM 2399 O HOH 7 0.254 30.853 62.885 1.00 16.04 O HETATM 2400 O HOH 8 5.631 33.370 39.135 1.00 25.45 O HETATM 2401 O HOH 9 -5.703 41.344 47.279 1.00 19.27 O HETATM 2402 O HOH 10 14.107 24.592 53.826 1.00 25.97 O HETATM 2403 O HOH 11 -0.711 40.118 37.682 1.00 26.81 O HETATM 2404 O HOH 12 -5.862 44.128 47.573 1.00 17.71 O HETATM 2405 O HOH 13 7.177 29.725 42.549 1.00 22.34 O HETATM 2406 O HOH 14 -8.393 50.465 52.156 1.00 23.25 O HETATM 2407 O HOH 15 -5.484 43.114 40.281 1.00 24.57 O HETATM 2408 O HOH 16 4.339 18.099 55.780 1.00 28.69 O HETATM 2409 O HOH 17 -6.022 44.326 64.094 1.00 19.12 O HETATM 2410 O HOH 18 7.667 36.724 41.759 1.00 23.57 O HETATM 2411 O HOH 19 9.786 29.757 64.593 1.00 33.58 O HETATM 2412 O HOH 20 11.556 31.314 45.680 1.00 21.87 O HETATM 2413 O HOH 21 5.742 38.692 65.591 1.00 23.90 O HETATM 2414 O HOH 22 11.091 40.098 46.545 1.00 32.65 O HETATM 2415 O HOH 23 -7.131 41.951 64.349 1.00 22.05 O HETATM 2416 O HOH 24 -14.602 34.713 60.599 1.00 24.01 O HETATM 2417 O HOH 25 -4.144 51.583 65.931 1.00 27.63 O HETATM 2418 O HOH 26 -23.331 38.254 52.354 1.00 27.54 O HETATM 2419 O HOH 27 3.568 36.339 62.253 1.00 26.36 O HETATM 2420 O HOH 28 -12.099 35.535 46.644 1.00 27.01 O HETATM 2421 O HOH 29 -5.332 29.269 45.777 1.00 25.58 O HETATM 2422 O HOH 30 18.136 25.645 47.902 1.00 34.01 O HETATM 2423 O HOH 31 11.847 27.839 60.472 1.00 36.20 O HETATM 2424 O HOH 32 -16.932 40.993 43.809 1.00 28.35 O HETATM 2425 O HOH 33 -3.740 41.451 38.668 1.00 31.36 O HETATM 2426 O HOH 34 -15.445 38.525 43.169 1.00 33.67 O HETATM 2427 O HOH 35 -17.660 36.194 59.983 1.00 33.27 O HETATM 2428 O HOH 36 8.192 23.176 50.315 1.00 35.69 O HETATM 2429 O HOH 37 -2.994 29.961 45.666 1.00 35.14 O HETATM 2430 O HOH 38 12.334 22.965 63.362 1.00 37.97 O HETATM 2431 O HOH 39 -13.662 30.391 60.432 1.00 24.39 O HETATM 2432 O HOH 40 -21.786 46.117 50.668 1.00 37.02 O HETATM 2433 O HOH 41 11.953 41.383 57.744 1.00 30.70 O HETATM 2434 O HOH 42 -2.433 37.879 68.432 1.00 25.76 O HETATM 2435 O HOH 43 -8.244 52.287 54.483 1.00 28.91 O HETATM 2436 O HOH 44 -20.592 58.897 52.612 1.00 43.84 O HETATM 2437 O HOH 45 -0.755 17.111 50.869 1.00 46.07 O HETATM 2438 O HOH 46 1.065 22.132 49.645 1.00 44.15 O HETATM 2439 O HOH 47 -8.365 35.848 41.504 1.00 27.13 O HETATM 2440 O HOH 48 18.285 29.996 58.319 1.00 26.48 O HETATM 2441 O HOH 49 13.105 30.384 49.344 1.00 26.77 O HETATM 2442 O HOH 50 1.984 27.824 45.797 1.00 28.64 O HETATM 2443 O HOH 51 4.339 50.507 58.612 1.00 35.40 O HETATM 2444 O HOH 52 13.736 38.814 57.134 1.00 33.70 O HETATM 2445 O HOH 53 1.571 28.467 60.301 1.00 21.30 O HETATM 2446 O HOH 54 18.587 30.435 52.900 1.00 35.55 O HETATM 2447 O HOH 55 4.285 32.405 40.437 1.00 39.70 O HETATM 2448 O HOH 56 -23.866 31.355 50.031 1.00 33.13 O HETATM 2449 O HOH 57 -20.543 31.941 57.555 1.00 38.46 O HETATM 2450 O HOH 58 -17.733 24.025 57.813 1.00 38.25 O HETATM 2451 O HOH 59 10.296 27.711 63.085 1.00 35.04 O HETATM 2452 O HOH 60 10.652 36.167 44.392 1.00 33.78 O HETATM 2453 O HOH 61 -8.932 32.086 44.425 1.00 32.82 O HETATM 2454 O HOH 62 8.587 24.576 48.392 1.00 44.22 O HETATM 2455 O HOH 63 11.309 49.406 63.344 1.00 45.56 O HETATM 2456 O HOH 64 -11.724 57.391 52.908 1.00 36.28 O HETATM 2457 O HOH 65 11.388 23.573 50.195 1.00 40.08 O HETATM 2458 O HOH 66 2.198 17.634 57.083 1.00 33.48 O HETATM 2459 O HOH 67 -16.056 42.782 55.633 1.00 31.71 O HETATM 2460 O HOH 68 -12.013 49.293 40.428 1.00 36.74 O HETATM 2461 O HOH 69 -10.967 28.305 61.257 1.00 51.41 O HETATM 2462 O HOH 70 -0.835 48.875 42.413 1.00 44.37 O HETATM 2463 O HOH 71 -21.067 26.440 59.261 1.00 46.23 O HETATM 2464 O HOH 72 14.499 43.007 64.858 1.00 49.78 O HETATM 2465 O HOH 73 -21.659 21.570 49.635 1.00 52.71 O HETATM 2466 O HOH 74 8.757 50.715 39.897 1.00 56.17 O HETATM 2467 O HOH 75 -9.752 41.526 68.950 1.00 50.20 O HETATM 2468 O HOH 76 -10.886 19.138 49.208 1.00 40.83 O HETATM 2469 O HOH 77 -4.554 53.879 60.712 1.00 42.28 O HETATM 2470 O HOH 78 -13.732 54.515 49.557 1.00 38.09 O HETATM 2471 O HOH 79 2.552 29.044 42.524 1.00 41.80 O HETATM 2472 O HOH 80 -0.532 17.185 47.486 1.00 53.97 O HETATM 2473 O HOH 81 -6.932 41.394 72.810 1.00 48.77 O HETATM 2474 O HOH 82 -24.554 47.712 47.885 1.00 45.90 O HETATM 2475 O HOH 83 9.766 48.835 50.963 1.00 50.81 O HETATM 2476 O HOH 84 -8.372 40.708 46.408 1.00 22.71 O HETATM 2477 O HOH 85 -1.781 37.815 38.256 1.00 38.05 O HETATM 2478 O HOH 86 -6.032 54.948 47.952 1.00 47.92 O HETATM 2479 O HOH 87 -23.701 36.491 43.446 1.00 40.79 O HETATM 2480 O HOH 88 10.695 32.590 68.466 1.00 56.58 O HETATM 2481 O HOH 89 19.146 38.548 54.533 1.00 48.95 O HETATM 2482 O HOH 90 2.520 49.526 60.656 1.00 38.73 O HETATM 2483 O HOH 91 6.131 34.222 66.785 1.00 42.38 O HETATM 2484 O HOH 92 -0.489 24.067 48.906 1.00 55.86 O HETATM 2485 O HOH 93 12.471 42.455 48.012 1.00 45.86 O HETATM 2486 O HOH 94 -19.259 39.645 54.136 1.00 42.62 O HETATM 2487 O HOH 95 7.472 49.619 34.239 1.00 65.96 O HETATM 2488 O HOH 96 -1.243 33.266 68.252 1.00 38.02 O HETATM 2489 O HOH 97 13.479 35.351 64.017 1.00 51.49 O HETATM 2490 O HOH 98 4.009 52.039 56.125 1.00 50.32 O HETATM 2491 C5 BB A 2 -4.973 44.377 55.230 1.00 0.06 C HETATM 2492 C3 BB A 2 -4.420 44.044 53.840 1.00 0.20 C HETATM 2493 O4 BB A 2 -4.414 44.950 53.038 1.00 -0.40 O HETATM 2494 N1 BB A 2 -4.001 42.820 53.525 1.00 -0.16 N HETATM 2495 O2 BB A 2 -3.570 42.555 52.388 1.00 -0.27 O HETATM 2496 H4 BB A 2 -2.813 43.099 52.203 1.00 0.25 H HETATM 2497 H3 BB A 2 -4.033 42.099 54.217 1.00 0.22 H HETATM 2498 C6 BB A 2 -6.565 44.329 55.084 1.00 0.07 C HETATM 2499 C12 BB A 2 -7.307 44.929 56.276 1.00 0.18 C HETATM 2500 O13 BB A 2 -7.000 44.624 57.403 1.00 -0.40 O HETATM 2501 N14 BB A 2 -8.295 45.817 55.957 1.00 -0.27 N HETATM 2502 C15 BB A 2 -9.113 46.546 56.902 1.00 0.13 C HETATM 2503 C16 BB A 2 -8.817 48.051 56.983 1.00 -0.01 C HETATM 2504 C18 BB A 2 -8.758 48.680 55.645 1.00 -0.06 C HETATM 2505 H20 BB A 2 -8.544 49.754 55.754 1.00 0.02 H HETATM 2506 H21 BB A 2 -9.724 48.548 55.135 1.00 0.02 H HETATM 2507 H22 BB A 2 -7.962 48.206 55.052 1.00 0.02 H HETATM 2508 C17 BB A 2 -7.489 48.219 57.694 1.00 -0.06 C HETATM 2509 H23 BB A 2 -7.543 47.749 58.687 1.00 0.02 H HETATM 2510 H24 BB A 2 -7.267 49.290 57.807 1.00 0.02 H HETATM 2511 H25 BB A 2 -6.694 47.740 57.104 1.00 0.02 H HETATM 2512 H19 BB A 2 -9.610 48.542 57.566 1.00 0.03 H HETATM 2513 C19 BB A 2 -10.590 46.242 56.518 1.00 0.21 C HETATM 2514 O20 BB A 2 -10.883 46.101 55.311 1.00 -0.39 O HETATM 2515 N21 BB A 2 -11.518 46.115 57.491 1.00 -0.26 N HETATM 2516 C22 BB A 2 -12.925 45.804 57.180 1.00 0.10 C HETATM 2517 C25 BB A 2 -13.450 45.260 58.499 1.00 -0.02 C HETATM 2518 C24 BB A 2 -12.688 46.003 59.537 1.00 -0.03 C HETATM 2519 C23 BB A 2 -11.313 46.247 58.963 1.00 0.04 C HETATM 2520 H27 BB A 2 -10.953 47.254 59.221 1.00 0.05 H HETATM 2521 H28 BB A 2 -10.596 45.497 59.328 1.00 0.05 H HETATM 2522 H29 BB A 2 -13.183 46.960 59.760 1.00 0.03 H HETATM 2523 H30 BB A 2 -12.616 45.404 60.457 1.00 0.03 H HETATM 2524 H31 BB A 2 -13.261 44.179 58.577 1.00 0.03 H HETATM 2525 H32 BB A 2 -14.529 45.452 58.597 1.00 0.03 H HETATM 2526 C26 BB A 2 -13.707 47.027 56.760 1.00 0.06 C HETATM 2527 O27 BB A 2 -13.534 47.359 55.574 1.00 -0.57 O HETATM 2528 O1 BB A 2 -14.468 47.656 57.543 1.00 -0.57 O HETATM 2529 H26 BB A 2 -12.989 45.045 56.386 1.00 0.07 H HETATM 2530 H18 BB A 2 -8.924 46.133 57.904 1.00 0.08 H HETATM 2531 H17 BB A 2 -8.468 45.977 54.985 1.00 0.19 H HETATM 2532 C7 BB A 2 -7.007 42.830 54.992 1.00 -0.03 C HETATM 2533 C8 BB A 2 -8.532 42.908 54.741 1.00 -0.05 C HETATM 2534 C9 BB A 2 -9.151 41.619 54.551 1.00 -0.05 C HETATM 2535 C10 BB A 2 -10.573 41.753 54.023 1.00 -0.06 C HETATM 2536 C11 BB A 2 -11.518 42.342 55.006 1.00 -0.07 C HETATM 2537 H14 BB A 2 -12.520 42.408 54.557 1.00 0.02 H HETATM 2538 H15 BB A 2 -11.175 43.349 55.286 1.00 0.02 H HETATM 2539 H16 BB A 2 -11.559 41.706 55.902 1.00 0.02 H HETATM 2540 H12 BB A 2 -10.937 40.753 53.746 1.00 0.03 H HETATM 2541 H13 BB A 2 -10.554 42.396 53.131 1.00 0.03 H HETATM 2542 H10 BB A 2 -9.177 41.090 55.515 1.00 0.03 H HETATM 2543 H11 BB A 2 -8.556 41.040 53.830 1.00 0.03 H HETATM 2544 H8 BB A 2 -8.706 43.514 53.840 1.00 0.03 H HETATM 2545 H9 BB A 2 -9.003 43.396 55.607 1.00 0.03 H HETATM 2546 H6 BB A 2 -6.791 42.300 55.931 1.00 0.03 H HETATM 2547 H7 BB A 2 -6.499 42.322 54.159 1.00 0.03 H HETATM 2548 H5 BB A 2 -6.854 44.868 54.170 1.00 0.06 H HETATM 2549 H1 BB A 2 -4.646 45.380 55.543 1.00 0.05 H HETATM 2550 H2 BB A 2 -4.633 43.634 55.967 1.00 0.05 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2491 2492 2498 2549 2550 CONECT 2492 2491 2493 2494 CONECT 2493 2492 CONECT 2494 2492 2495 2497 CONECT 2495 2494 2496 CONECT 2496 2495 CONECT 2497 2494 CONECT 2498 2491 2499 2532 2548 CONECT 2499 2498 2500 2501 CONECT 2500 2499 CONECT 2501 2499 2502 2531 CONECT 2502 2501 2503 2513 2530 CONECT 2503 2502 2504 2508 2512 CONECT 2504 2503 2505 2506 2507 CONECT 2505 2504 CONECT 2506 2504 CONECT 2507 2504 CONECT 2508 2503 2509 2510 2511 CONECT 2509 2508 CONECT 2510 2508 CONECT 2511 2508 CONECT 2512 2503 CONECT 2513 2502 2514 2515 CONECT 2514 2513 CONECT 2515 2513 2516 2519 CONECT 2516 2515 2517 2526 2529 CONECT 2517 2516 2518 2524 2525 CONECT 2518 2517 2519 2522 2523 CONECT 2519 2515 2518 2520 2521 CONECT 2520 2519 CONECT 2521 2519 CONECT 2522 2518 CONECT 2523 2518 CONECT 2524 2517 CONECT 2525 2517 CONECT 2526 2516 2527 2528 CONECT 2527 2526 CONECT 2528 2526 CONECT 2529 2516 CONECT 2530 2502 CONECT 2531 2501 CONECT 2532 2498 2533 2546 2547 CONECT 2533 2532 2534 2544 2545 CONECT 2534 2533 2535 2542 2543 CONECT 2535 2534 2536 2540 2541 CONECT 2536 2535 2537 2538 2539 CONECT 2537 2536 CONECT 2538 2536 CONECT 2539 2536 CONECT 2540 2535 CONECT 2541 2535 CONECT 2542 2534 CONECT 2543 2534 CONECT 2544 2533 CONECT 2545 2533 CONECT 2546 2532 CONECT 2547 2532 CONECT 2548 2498 CONECT 2549 2491 CONECT 2550 2491 MASTER 0 0 0 0 0 0 0 0 2549 1 64 12 END
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Entry Information
PDB ID
1ws1
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
peptide deformylase 1
Ligand Name
BB2
EC.Number
E.C.3.5.1.88
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=0.28nM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
Proteins v61 pp. 217-20, 2005
Ligand Properties
Formula
C
1
9
H
3
3
N
3
O
6
Molecular Weight
399.482
Exact Mass
399.237
No. of atoms
61
No. of bonds
61
Polar Surface Area
136.04
LOGP Value
2.68 (
Computed with XLOGP3
)
2.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
Canonical SMILES
CCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)CC(=O)NO
InChI String
InChI=1S/C19H33N3O6/c1-4-5-6-8-13(11-15(23)21-28)17(24)20-16(12(2)3)18(25)22-10-7-9-14(22)19(26)27/h12-14,16,28H,4-11H2,1-3H3,(H,20,24)(H,21,23)(H,26,27)/t13-,14+,16+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q819U0
Entrez Gene ID
NCBI Entrez Gene ID:
56444439
61582022
ASD
Information of known allosteric effects of PDB entries
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