Browse entries in the PDBbind-CN Database
HEADER 5E0M_COMPLEX COMPND 5E0M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 ASP ARG LYS ALA VAL ILE LYS ASN ALA ASP MET SER GLU SEQRES 2 A 87 GLU MET GLN GLN ASP ALA VAL ASP CYS ALA THR GLN ALA SEQRES 3 A 87 LEU GLU LYS TYR ASN ILE GLU LYS ASP ILE ALA ALA TYR SEQRES 4 A 87 ILE LYS LYS GLU PHE ASP LYS LYS TYR ASN PRO THR TRP SEQRES 5 A 87 HIS CYS ILE VAL GLY ARG ASN PHE GLY SER TYR VAL THR SEQRES 6 A 87 HIS GLU THR ARG HIS PHE ILE TYR PHE TYR LEU GLY GLN SEQRES 7 A 87 VAL ALA ILE LEU LEU PHE LYS SER GLY SEQRES 1 B 87 ASP ARG LYS ALA VAL ILE LYS ASN ALA ASP MET SER GLU SEQRES 2 B 87 GLU MET GLN GLN ASP ALA VAL ASP CYS ALA THR GLN ALA SEQRES 3 B 87 LEU GLU LYS TYR ASN ILE GLU LYS ASP ILE ALA ALA TYR SEQRES 4 B 87 ILE LYS LYS GLU PHE ASP LYS LYS TYR ASN PRO THR TRP SEQRES 5 B 87 HIS CYS ILE VAL GLY ARG ASN PHE GLY SER TYR VAL THR SEQRES 6 B 87 HIS GLU THR ARG HIS PHE ILE TYR PHE TYR LEU GLY GLN SEQRES 7 B 87 VAL ALA ILE LEU LEU PHE LYS SER GLY HET ARG A 295 140 ATOM 1 N ASP A 3 -2.952 10.204 3.383 1.00 64.41 N ATOM 2 CA ASP A 3 -4.068 11.121 3.199 1.00 73.37 C ATOM 3 C ASP A 3 -3.981 11.782 1.820 1.00 75.91 C ATOM 4 O ASP A 3 -2.935 12.310 1.434 1.00 65.51 O ATOM 5 CB ASP A 3 -4.083 12.171 4.307 1.00 80.66 C ATOM 6 CG ASP A 3 -5.463 12.367 4.901 1.00 88.01 C ATOM 7 OD1 ASP A 3 -6.459 12.297 4.149 1.00 89.26 O ATOM 8 OD2 ASP A 3 -5.555 12.582 6.126 1.00 75.78 O ATOM 9 HN3 ASP A 3 -2.057 10.730 3.311 1.00 0.00 H ATOM 10 HN2 ASP A 3 -2.984 9.469 2.648 1.00 0.00 H ATOM 11 HN1 ASP A 3 -3.020 9.761 4.321 1.00 0.00 H ATOM 12 N ARG A 4 -5.089 11.756 1.086 1.00 71.30 N ATOM 13 CA ARG A 4 -5.075 12.095 -0.335 1.00 69.30 C ATOM 14 C ARG A 4 -5.138 13.591 -0.616 1.00 62.38 C ATOM 15 O ARG A 4 -5.905 14.335 0.006 1.00 59.11 O ATOM 16 CB ARG A 4 -6.234 11.402 -1.040 1.00 75.59 C ATOM 17 CG ARG A 4 -6.058 9.902 -1.154 1.00 91.46 C ATOM 18 CD ARG A 4 -7.204 9.280 -1.928 1.00 98.89 C ATOM 19 NE ARG A 4 -7.097 7.826 -1.999 1.00 92.77 N ATOM 20 CZ ARG A 4 -7.543 6.993 -1.062 1.00 87.89 C ATOM 21 NH1 ARG A 4 -8.130 7.460 0.035 1.00 70.13 N ATOM 22 NH2 ARG A 4 -7.399 5.684 -1.222 1.00 87.35 N ATOM 23 HE ARG A 4 -6.642 7.413 -2.838 1.00 0.00 H ATOM 24 HH12 ARG A 4 -8.475 6.800 0.761 1.00 0.00 H ATOM 25 HH11 ARG A 4 -8.244 8.485 0.167 1.00 0.00 H ATOM 26 HH22 ARG A 4 -7.746 5.030 -0.492 1.00 0.00 H ATOM 27 HH21 ARG A 4 -6.939 5.312 -2.077 1.00 0.00 H ATOM 28 H ARG A 4 -5.988 11.488 1.534 1.00 0.00 H ATOM 29 N LYS A 5 -4.335 14.005 -1.588 1.00 44.37 N ATOM 30 CA LYS A 5 -4.196 15.405 -1.966 1.00 44.70 C ATOM 31 C LYS A 5 -5.289 15.825 -2.925 1.00 40.66 C ATOM 32 O LYS A 5 -5.466 15.200 -3.965 1.00 41.27 O ATOM 33 CB LYS A 5 -2.828 15.616 -2.600 1.00 55.32 C ATOM 34 CG LYS A 5 -2.540 17.009 -3.127 1.00 43.47 C ATOM 35 CD LYS A 5 -1.107 17.029 -3.643 1.00 63.74 C ATOM 36 CE LYS A 5 -0.710 18.335 -4.286 1.00 66.11 C ATOM 37 NZ LYS A 5 0.683 18.227 -4.813 1.00 65.19 N ATOM 38 HZ1 LYS A 5 1.333 18.014 -4.030 1.00 0.00 H ATOM 39 HZ2 LYS A 5 0.727 17.465 -5.519 1.00 0.00 H ATOM 40 HZ3 LYS A 5 0.956 19.128 -5.256 1.00 0.00 H ATOM 41 H LYS A 5 -3.778 13.295 -2.105 1.00 0.00 H ATOM 42 N ALA A 6 -6.020 16.878 -2.570 1.00 36.39 N ATOM 43 CA ALA A 6 -7.071 17.410 -3.422 1.00 37.53 C ATOM 44 C ALA A 6 -6.506 18.459 -4.371 1.00 43.45 C ATOM 45 O ALA A 6 -5.858 19.407 -3.944 1.00 39.56 O ATOM 46 CB ALA A 6 -8.181 18.001 -2.580 1.00 40.76 C ATOM 47 H ALA A 6 -5.834 17.335 -1.654 1.00 0.00 H ATOM 48 N VAL A 7 -6.746 18.277 -5.666 1.00 35.47 N ATOM 49 CA VAL A 7 -6.346 19.252 -6.669 1.00 36.82 C ATOM 50 C VAL A 7 -7.568 19.528 -7.530 1.00 37.56 C ATOM 51 O VAL A 7 -7.985 18.672 -8.292 1.00 34.13 O ATOM 52 CB VAL A 7 -5.175 18.761 -7.532 1.00 45.78 C ATOM 53 CG1 VAL A 7 -4.813 19.807 -8.592 1.00 43.43 C ATOM 54 CG2 VAL A 7 -3.974 18.427 -6.663 1.00 46.09 C ATOM 55 H VAL A 7 -7.235 17.411 -5.971 1.00 0.00 H ATOM 56 N ILE A 8 -8.140 20.717 -7.391 1.00 38.50 N ATOM 57 CA ILE A 8 -9.316 21.103 -8.152 1.00 33.64 C ATOM 58 C ILE A 8 -8.842 21.660 -9.483 1.00 42.60 C ATOM 59 O ILE A 8 -8.081 22.623 -9.527 1.00 41.06 O ATOM 60 CB ILE A 8 -10.174 22.107 -7.370 1.00 45.73 C ATOM 61 CG1 ILE A 8 -10.753 21.428 -6.117 1.00 40.93 C ATOM 62 CG2 ILE A 8 -11.273 22.666 -8.251 1.00 43.96 C ATOM 63 CD1 ILE A 8 -11.634 22.326 -5.258 1.00 58.66 C ATOM 64 H ILE A 8 -7.733 21.395 -6.715 1.00 0.00 H ATOM 65 N LYS A 9 -9.300 21.050 -10.572 1.00 35.23 N ATOM 66 CA LYS A 9 -8.777 21.365 -11.904 1.00 36.74 C ATOM 67 C LYS A 9 -9.645 22.390 -12.623 1.00 43.36 C ATOM 68 O LYS A 9 -9.143 23.257 -13.328 1.00 46.95 O ATOM 69 CB LYS A 9 -8.670 20.091 -12.758 1.00 38.51 C ATOM 70 CG LYS A 9 -7.706 19.029 -12.215 1.00 47.26 C ATOM 71 CD LYS A 9 -6.240 19.340 -12.502 1.00 59.79 C ATOM 72 CE LYS A 9 -5.332 18.207 -12.020 1.00 64.63 C ATOM 73 NZ LYS A 9 -3.886 18.551 -12.032 1.00 70.90 N ATOM 74 HZ1 LYS A 9 -3.596 18.789 -13.002 1.00 0.00 H ATOM 75 HZ2 LYS A 9 -3.720 19.367 -11.409 1.00 0.00 H ATOM 76 HZ3 LYS A 9 -3.334 17.737 -11.694 1.00 0.00 H ATOM 77 H LYS A 9 -10.047 20.333 -10.476 1.00 0.00 H ATOM 78 N ASN A 10 -10.954 22.272 -12.452 1.00 31.94 N ATOM 79 CA ASN A 10 -11.905 23.180 -13.087 1.00 37.89 C ATOM 80 C ASN A 10 -13.151 23.216 -12.221 1.00 42.17 C ATOM 81 O ASN A 10 -13.674 22.178 -11.837 1.00 43.67 O ATOM 82 CB ASN A 10 -12.237 22.732 -14.518 1.00 38.73 C ATOM 83 CG ASN A 10 -13.091 23.753 -15.285 1.00 50.17 C ATOM 84 OD1 ASN A 10 -13.352 24.855 -14.806 1.00 50.05 O ATOM 85 ND2 ASN A 10 -13.517 23.378 -16.490 1.00 52.64 N ATOM 86 HD22 ASN A 10 -13.273 22.436 -16.858 1.00 0.00 H ATOM 87 HD21 ASN A 10 -14.093 24.027 -17.063 1.00 0.00 H ATOM 88 H ASN A 10 -11.315 21.508 -11.846 1.00 0.00 H ATOM 89 N ALA A 11 -13.616 24.412 -11.898 1.00 40.90 N ATOM 90 CA ALA A 11 -14.787 24.538 -11.050 1.00 40.67 C ATOM 91 C ALA A 11 -15.630 25.719 -11.475 1.00 43.66 C ATOM 92 O ALA A 11 -15.114 26.798 -11.751 1.00 49.25 O ATOM 93 CB ALA A 11 -14.381 24.683 -9.594 1.00 47.71 C ATOM 94 H ALA A 11 -13.140 25.266 -12.253 1.00 0.00 H ATOM 95 N ASP A 12 -16.930 25.483 -11.549 1.00 39.05 N ATOM 96 CA ASP A 12 -17.908 26.546 -11.624 1.00 38.63 C ATOM 97 C ASP A 12 -18.883 26.259 -10.499 1.00 52.71 C ATOM 98 O ASP A 12 -19.908 25.612 -10.693 1.00 37.37 O ATOM 99 CB ASP A 12 -18.597 26.587 -12.983 1.00 41.24 C ATOM 100 CG ASP A 12 -19.671 27.643 -13.052 1.00 47.55 C ATOM 101 OD1 ASP A 12 -19.632 28.586 -12.232 1.00 51.92 O ATOM 102 OD2 ASP A 12 -20.567 27.526 -13.914 1.00 51.07 O ATOM 103 H ASP A 12 -17.261 24.497 -11.553 1.00 0.00 H ATOM 104 N MET A 13 -18.536 26.729 -9.307 1.00 43.45 N ATOM 105 CA MET A 13 -19.169 26.242 -8.094 1.00 43.25 C ATOM 106 C MET A 13 -18.715 27.066 -6.899 1.00 42.18 C ATOM 107 O MET A 13 -17.557 27.482 -6.831 1.00 46.28 O ATOM 108 CB MET A 13 -18.818 24.763 -7.898 1.00 46.94 C ATOM 109 CG MET A 13 -19.321 24.141 -6.624 1.00 47.30 C ATOM 110 SD MET A 13 -18.837 22.402 -6.492 1.00 37.78 S ATOM 111 CE MET A 13 -19.989 21.648 -7.644 1.00 37.96 C ATOM 112 H MET A 13 -17.798 27.459 -9.241 1.00 0.00 H ATOM 113 N SER A 14 -19.622 27.294 -5.956 1.00 53.44 N ATOM 114 CA SER A 14 -19.289 28.062 -4.760 1.00 50.30 C ATOM 115 C SER A 14 -18.160 27.375 -3.995 1.00 54.18 C ATOM 116 O SER A 14 -18.025 26.157 -4.033 1.00 43.27 O ATOM 117 CB SER A 14 -20.517 28.229 -3.865 1.00 51.08 C ATOM 118 OG SER A 14 -20.758 27.054 -3.116 1.00 52.02 O ATOM 119 HG SER A 14 -19.972 26.860 -2.546 1.00 0.00 H ATOM 120 H SER A 14 -20.585 26.919 -6.071 1.00 0.00 H ATOM 121 N GLU A 15 -17.345 28.160 -3.301 1.00 52.93 N ATOM 122 CA GLU A 15 -16.215 27.606 -2.566 1.00 56.75 C ATOM 123 C GLU A 15 -16.687 26.634 -1.491 1.00 48.83 C ATOM 124 O GLU A 15 -16.009 25.645 -1.201 1.00 51.59 O ATOM 125 CB GLU A 15 -15.382 28.724 -1.936 1.00 70.03 C ATOM 126 CG GLU A 15 -14.643 29.593 -2.949 1.00 87.23 C ATOM 127 CD GLU A 15 -13.553 28.834 -3.686 1.00 94.42 C ATOM 128 OE1 GLU A 15 -13.192 27.726 -3.234 1.00101.79 O ATOM 129 OE2 GLU A 15 -13.057 29.346 -4.714 1.00 90.47 O ATOM 130 H GLU A 15 -17.515 29.186 -3.281 1.00 0.00 H ATOM 131 N GLU A 16 -17.849 26.911 -0.905 1.00 51.63 N ATOM 132 CA GLU A 16 -18.396 26.051 0.142 1.00 52.98 C ATOM 133 C GLU A 16 -18.745 24.681 -0.435 1.00 47.39 C ATOM 134 O GLU A 16 -18.520 23.642 0.182 1.00 41.10 O ATOM 135 CB GLU A 16 -19.635 26.689 0.775 1.00 71.85 C ATOM 136 CG GLU A 16 -20.220 25.893 1.936 1.00102.29 C ATOM 137 CD GLU A 16 -21.228 26.692 2.752 1.00117.46 C ATOM 138 OE1 GLU A 16 -21.113 27.937 2.802 1.00113.31 O ATOM 139 OE2 GLU A 16 -22.138 26.070 3.343 1.00119.16 O ATOM 140 H GLU A 16 -18.379 27.757 -1.198 1.00 0.00 H ATOM 141 N MET A 17 -19.295 24.686 -1.637 1.00 47.16 N ATOM 142 CA MET A 17 -19.700 23.446 -2.281 1.00 46.72 C ATOM 143 C MET A 17 -18.489 22.685 -2.796 1.00 41.60 C ATOM 144 O MET A 17 -18.448 21.456 -2.735 1.00 39.35 O ATOM 145 CB MET A 17 -20.674 23.729 -3.416 1.00 44.11 C ATOM 146 CG MET A 17 -22.023 24.183 -2.922 1.00 42.32 C ATOM 147 SD MET A 17 -23.279 24.377 -4.203 1.00 55.00 S ATOM 148 CE MET A 17 -23.337 22.729 -4.889 1.00 52.23 C ATOM 149 H MET A 17 -19.440 25.590 -2.130 1.00 0.00 H ATOM 150 N GLN A 18 -17.491 23.409 -3.293 1.00 42.78 N ATOM 151 CA GLN A 18 -16.276 22.754 -3.752 1.00 45.72 C ATOM 152 C GLN A 18 -15.683 22.008 -2.568 1.00 43.24 C ATOM 153 O GLN A 18 -15.234 20.877 -2.702 1.00 39.88 O ATOM 154 CB GLN A 18 -15.258 23.743 -4.317 1.00 43.18 C ATOM 155 CG GLN A 18 -15.655 24.381 -5.641 1.00 41.53 C ATOM 156 CD GLN A 18 -14.604 25.333 -6.159 1.00 49.00 C ATOM 157 OE1 GLN A 18 -13.419 25.017 -6.167 1.00 43.09 O ATOM 158 NE2 GLN A 18 -15.034 26.513 -6.596 1.00 51.89 N ATOM 159 HE22 GLN A 18 -16.049 26.739 -6.571 1.00 0.00 H ATOM 160 HE21 GLN A 18 -14.355 27.210 -6.963 1.00 0.00 H ATOM 161 H GLN A 18 -17.579 24.444 -3.354 1.00 0.00 H ATOM 162 N GLN A 19 -15.687 22.638 -1.398 1.00 44.46 N ATOM 163 CA GLN A 19 -15.115 22.001 -0.218 1.00 41.00 C ATOM 164 C GLN A 19 -15.912 20.767 0.200 1.00 37.20 C ATOM 165 O GLN A 19 -15.349 19.782 0.676 1.00 36.07 O ATOM 166 CB GLN A 19 -15.059 22.981 0.957 1.00 46.10 C ATOM 167 CG GLN A 19 -14.489 22.345 2.211 1.00 53.29 C ATOM 168 CD GLN A 19 -13.065 21.881 2.004 1.00 67.21 C ATOM 169 OE1 GLN A 19 -12.182 22.689 1.723 1.00 83.24 O ATOM 170 NE2 GLN A 19 -12.836 20.575 2.118 1.00 57.24 N ATOM 171 HE22 GLN A 19 -13.615 19.929 2.358 1.00 0.00 H ATOM 172 HE21 GLN A 19 -11.878 20.200 1.967 1.00 0.00 H ATOM 173 H GLN A 19 -16.100 23.590 -1.324 1.00 0.00 H ATOM 174 N ASP A 20 -17.227 20.836 0.044 1.00 38.59 N ATOM 175 CA ASP A 20 -18.071 19.706 0.387 1.00 36.96 C ATOM 176 C ASP A 20 -17.805 18.559 -0.569 1.00 37.92 C ATOM 177 O ASP A 20 -17.773 17.403 -0.166 1.00 41.24 O ATOM 178 CB ASP A 20 -19.547 20.080 0.339 1.00 42.52 C ATOM 179 CG ASP A 20 -20.233 19.892 1.670 1.00 78.86 C ATOM 180 OD1 ASP A 20 -19.635 20.245 2.710 1.00 79.81 O ATOM 181 OD2 ASP A 20 -21.368 19.382 1.668 1.00 86.52 O ATOM 182 H ASP A 20 -17.657 21.707 -0.327 1.00 0.00 H ATOM 183 N ALA A 21 -17.614 18.878 -1.843 1.00 36.94 N ATOM 184 CA ALA A 21 -17.380 17.836 -2.829 1.00 28.33 C ATOM 185 C ALA A 21 -16.111 17.090 -2.465 1.00 30.80 C ATOM 186 O ALA A 21 -16.050 15.865 -2.531 1.00 37.77 O ATOM 187 CB ALA A 21 -17.279 18.434 -4.251 1.00 31.35 C ATOM 188 H ALA A 21 -17.632 19.876 -2.136 1.00 0.00 H ATOM 189 N VAL A 22 -15.092 17.835 -2.067 1.00 34.18 N ATOM 190 CA VAL A 22 -13.822 17.235 -1.689 1.00 31.46 C ATOM 191 C VAL A 22 -13.983 16.385 -0.425 1.00 37.72 C ATOM 192 O VAL A 22 -13.391 15.307 -0.313 1.00 38.74 O ATOM 193 CB VAL A 22 -12.755 18.315 -1.506 1.00 41.54 C ATOM 194 CG1 VAL A 22 -11.450 17.721 -0.999 1.00 51.94 C ATOM 195 CG2 VAL A 22 -12.530 19.046 -2.837 1.00 40.98 C ATOM 196 H VAL A 22 -15.201 18.868 -2.024 1.00 0.00 H ATOM 197 N ASP A 23 -14.780 16.864 0.523 1.00 43.55 N ATOM 198 CA ASP A 23 -15.016 16.115 1.756 1.00 40.62 C ATOM 199 C ASP A 23 -15.772 14.842 1.444 1.00 40.79 C ATOM 200 O ASP A 23 -15.430 13.766 1.929 1.00 37.13 O ATOM 201 CB ASP A 23 -15.813 16.944 2.773 1.00 50.17 C ATOM 202 CG ASP A 23 -15.039 18.131 3.288 1.00 65.57 C ATOM 203 OD1 ASP A 23 -13.793 18.120 3.173 1.00 84.47 O ATOM 204 OD2 ASP A 23 -15.678 19.069 3.810 1.00 70.55 O ATOM 205 H ASP A 23 -15.243 17.785 0.386 1.00 0.00 H ATOM 206 N CYS A 24 -16.813 14.989 0.635 1.00 42.61 N ATOM 207 CA CYS A 24 -17.647 13.873 0.249 1.00 39.80 C ATOM 208 C CYS A 24 -16.831 12.804 -0.477 1.00 35.90 C ATOM 209 O CYS A 24 -16.987 11.612 -0.233 1.00 36.75 O ATOM 210 CB CYS A 24 -18.782 14.373 -0.631 1.00 42.94 C ATOM 211 SG CYS A 24 -19.968 13.119 -1.012 1.00 33.46 S ATOM 212 H CYS A 24 -17.036 15.936 0.267 1.00 0.00 H ATOM 213 N ALA A 25 -15.962 13.239 -1.378 1.00 35.16 N ATOM 214 CA ALA A 25 -15.141 12.296 -2.117 1.00 30.22 C ATOM 215 C ALA A 25 -14.151 11.605 -1.167 1.00 38.65 C ATOM 216 O ALA A 25 -13.872 10.413 -1.297 1.00 33.45 O ATOM 217 CB ALA A 25 -14.424 13.009 -3.254 1.00 34.35 C ATOM 218 H ALA A 25 -15.868 14.259 -1.557 1.00 0.00 H ATOM 219 N THR A 26 -13.640 12.351 -0.194 1.00 38.21 N ATOM 220 CA THR A 26 -12.781 11.769 0.831 1.00 38.69 C ATOM 221 C THR A 26 -13.519 10.664 1.601 1.00 39.43 C ATOM 222 O THR A 26 -12.979 9.576 1.797 1.00 40.64 O ATOM 223 CB THR A 26 -12.284 12.844 1.812 1.00 46.01 C ATOM 224 OG1 THR A 26 -11.431 13.761 1.118 1.00 44.31 O ATOM 225 CG2 THR A 26 -11.507 12.219 2.968 1.00 50.05 C ATOM 226 HG1 THR A 26 -11.938 14.191 0.384 1.00 0.00 H ATOM 227 H THR A 26 -13.856 13.368 -0.163 1.00 0.00 H ATOM 228 N GLN A 27 -14.750 10.940 2.019 1.00 34.51 N ATOM 229 CA GLN A 27 -15.557 9.936 2.696 1.00 38.47 C ATOM 230 C GLN A 27 -15.731 8.735 1.790 1.00 40.21 C ATOM 231 O GLN A 27 -15.608 7.594 2.221 1.00 38.49 O ATOM 232 CB GLN A 27 -16.931 10.487 3.081 1.00 61.00 C ATOM 233 CG GLN A 27 -16.935 11.480 4.234 1.00 65.50 C ATOM 234 CD GLN A 27 -18.091 12.469 4.125 1.00 83.24 C ATOM 235 OE1 GLN A 27 -19.091 12.208 3.442 1.00 89.22 O ATOM 236 NE2 GLN A 27 -17.952 13.616 4.781 1.00 89.43 N ATOM 237 HE22 GLN A 27 -17.095 13.793 5.343 1.00 0.00 H ATOM 238 HE21 GLN A 27 -18.700 14.337 4.733 1.00 0.00 H ATOM 239 H GLN A 27 -15.143 11.890 1.860 1.00 0.00 H ATOM 240 N ALA A 28 -16.025 8.991 0.519 1.00 33.71 N ATOM 241 CA ALA A 28 -16.295 7.914 -0.418 1.00 27.76 C ATOM 242 C ALA A 28 -15.104 6.999 -0.584 1.00 31.80 C ATOM 243 O ALA A 28 -15.258 5.785 -0.670 1.00 37.56 O ATOM 244 CB ALA A 28 -16.707 8.494 -1.781 1.00 26.45 C ATOM 245 H ALA A 28 -16.062 9.977 0.191 1.00 0.00 H ATOM 246 N LEU A 29 -13.914 7.577 -0.642 1.00 37.25 N ATOM 247 CA LEU A 29 -12.720 6.783 -0.858 1.00 32.65 C ATOM 248 C LEU A 29 -12.343 6.003 0.398 1.00 43.02 C ATOM 249 O LEU A 29 -11.631 5.000 0.319 1.00 46.11 O ATOM 250 CB LEU A 29 -11.554 7.664 -1.291 1.00 38.55 C ATOM 251 CG LEU A 29 -11.633 8.167 -2.731 1.00 47.42 C ATOM 252 CD1 LEU A 29 -10.566 9.191 -2.988 1.00 59.75 C ATOM 253 CD2 LEU A 29 -11.484 7.010 -3.678 1.00 63.80 C ATOM 254 H LEU A 29 -13.835 8.608 -0.532 1.00 0.00 H ATOM 255 N GLU A 30 -12.819 6.459 1.550 1.00 45.84 N ATOM 256 CA GLU A 30 -12.558 5.747 2.796 1.00 49.52 C ATOM 257 C GLU A 30 -13.392 4.478 2.832 1.00 50.91 C ATOM 258 O GLU A 30 -12.904 3.421 3.225 1.00 50.17 O ATOM 259 CB GLU A 30 -12.871 6.629 4.011 1.00 51.68 C ATOM 260 CG GLU A 30 -11.827 7.695 4.276 1.00 60.05 C ATOM 261 CD GLU A 30 -12.260 8.682 5.345 1.00 86.24 C ATOM 262 OE1 GLU A 30 -13.397 8.555 5.865 1.00 87.98 O ATOM 263 OE2 GLU A 30 -11.460 9.593 5.658 1.00 87.91 O ATOM 264 H GLU A 30 -13.383 7.332 1.564 1.00 0.00 H ATOM 265 N LYS A 31 -14.646 4.599 2.406 1.00 37.46 N ATOM 266 CA LYS A 31 -15.608 3.514 2.476 1.00 39.64 C ATOM 267 C LYS A 31 -15.503 2.518 1.315 1.00 37.71 C ATOM 268 O LYS A 31 -15.622 1.313 1.522 1.00 34.24 O ATOM 269 CB LYS A 31 -17.015 4.112 2.531 1.00 41.04 C ATOM 270 CG LYS A 31 -18.153 3.105 2.554 1.00 54.30 C ATOM 271 CD LYS A 31 -19.482 3.818 2.732 1.00 51.55 C ATOM 272 CE LYS A 31 -20.665 2.880 2.558 1.00 66.37 C ATOM 273 NZ LYS A 31 -21.170 2.331 3.845 1.00 75.66 N ATOM 274 HZ1 LYS A 31 -20.411 1.797 4.314 1.00 0.00 H ATOM 275 HZ2 LYS A 31 -21.476 3.113 4.458 1.00 0.00 H ATOM 276 HZ3 LYS A 31 -21.975 1.700 3.659 1.00 0.00 H ATOM 277 H LYS A 31 -14.950 5.509 2.006 1.00 0.00 H ATOM 278 N TYR A 32 -15.257 3.016 0.105 1.00 32.14 N ATOM 279 CA TYR A 32 -15.356 2.191 -1.109 1.00 37.74 C ATOM 280 C TYR A 32 -14.058 2.139 -1.931 1.00 34.14 C ATOM 281 O TYR A 32 -13.266 3.086 -1.914 1.00 36.63 O ATOM 282 CB TYR A 32 -16.458 2.724 -2.018 1.00 42.43 C ATOM 283 CG TYR A 32 -17.872 2.730 -1.481 1.00 35.66 C ATOM 284 CD1 TYR A 32 -18.656 1.583 -1.503 1.00 52.61 C ATOM 285 CD2 TYR A 32 -18.449 3.901 -1.021 1.00 42.72 C ATOM 286 CE1 TYR A 32 -19.977 1.603 -1.046 1.00 45.17 C ATOM 287 CE2 TYR A 32 -19.752 3.929 -0.559 1.00 64.09 C ATOM 288 CZ TYR A 32 -20.514 2.779 -0.580 1.00 67.01 C ATOM 289 OH TYR A 32 -21.815 2.806 -0.120 1.00 75.21 O ATOM 290 HH TYR A 32 -22.340 3.452 -0.656 1.00 0.00 H ATOM 291 H TYR A 32 -14.987 4.016 0.016 1.00 0.00 H ATOM 292 N ASN A 33 -13.857 1.053 -2.682 1.00 32.54 N ATOM 293 CA ASN A 33 -12.689 0.932 -3.550 1.00 37.50 C ATOM 294 C ASN A 33 -13.044 0.963 -5.031 1.00 31.93 C ATOM 295 O ASN A 33 -12.167 1.190 -5.855 1.00 37.99 O ATOM 296 CB ASN A 33 -11.932 -0.365 -3.282 1.00 31.13 C ATOM 297 CG ASN A 33 -11.353 -0.422 -1.890 1.00 44.93 C ATOM 298 OD1 ASN A 33 -10.737 0.538 -1.422 1.00 45.03 O ATOM 299 ND2 ASN A 33 -11.558 -1.544 -1.214 1.00 53.17 N ATOM 300 HD22 ASN A 33 -12.084 -2.327 -1.653 1.00 0.00 H ATOM 301 HD21 ASN A 33 -11.193 -1.642 -0.245 1.00 0.00 H ATOM 302 H ASN A 33 -14.548 0.276 -2.648 1.00 0.00 H ATOM 303 N ILE A 34 -14.305 0.703 -5.360 1.00 29.51 N ATOM 304 CA ILE A 34 -14.708 0.575 -6.758 1.00 30.63 C ATOM 305 C ILE A 34 -15.220 1.925 -7.254 1.00 26.64 C ATOM 306 O ILE A 34 -16.013 2.586 -6.600 1.00 25.08 O ATOM 307 CB ILE A 34 -15.761 -0.539 -6.929 1.00 36.48 C ATOM 308 CG1 ILE A 34 -15.279 -1.844 -6.272 1.00 36.90 C ATOM 309 CG2 ILE A 34 -16.059 -0.787 -8.394 1.00 33.58 C ATOM 310 CD1 ILE A 34 -13.921 -2.346 -6.763 1.00 26.80 C ATOM 311 H ILE A 34 -15.016 0.589 -4.610 1.00 0.00 H ATOM 312 N GLU A 35 -14.766 2.333 -8.436 1.00 29.31 N ATOM 313 CA GLU A 35 -15.058 3.678 -8.907 1.00 26.84 C ATOM 314 C GLU A 35 -16.545 4.001 -8.979 1.00 24.49 C ATOM 315 O GLU A 35 -16.948 5.099 -8.614 1.00 25.37 O ATOM 316 CB GLU A 35 -14.384 3.886 -10.269 1.00 23.25 C ATOM 317 CG GLU A 35 -12.886 3.920 -10.132 1.00 24.22 C ATOM 318 CD GLU A 35 -12.152 3.886 -11.445 1.00 28.05 C ATOM 319 OE1 GLU A 35 -12.739 3.433 -12.459 1.00 28.51 O ATOM 320 OE2 GLU A 35 -10.965 4.285 -11.442 1.00 28.28 O ATOM 321 H GLU A 35 -14.201 1.689 -9.025 1.00 0.00 H ATOM 322 N LYS A 36 -17.371 3.073 -9.442 1.00 23.13 N ATOM 323 CA LYS A 36 -18.799 3.359 -9.563 1.00 24.03 C ATOM 324 C LYS A 36 -19.460 3.521 -8.198 1.00 28.17 C ATOM 325 O LYS A 36 -20.460 4.223 -8.063 1.00 26.95 O ATOM 326 CB LYS A 36 -19.522 2.258 -10.333 1.00 27.73 C ATOM 327 CG LYS A 36 -19.389 0.869 -9.734 1.00 29.77 C ATOM 328 CD LYS A 36 -20.402 -0.072 -10.361 1.00 34.68 C ATOM 329 CE LYS A 36 -20.154 -1.516 -9.953 1.00 57.90 C ATOM 330 NZ LYS A 36 -21.003 -2.443 -10.741 1.00 72.89 N ATOM 331 HZ1 LYS A 36 -22.005 -2.217 -10.578 1.00 0.00 H ATOM 332 HZ2 LYS A 36 -20.783 -2.338 -11.752 1.00 0.00 H ATOM 333 HZ3 LYS A 36 -20.815 -3.422 -10.443 1.00 0.00 H ATOM 334 H LYS A 36 -17.002 2.141 -9.719 1.00 0.00 H ATOM 335 N ASP A 37 -18.914 2.854 -7.193 1.00 26.34 N ATOM 336 CA ASP A 37 -19.488 2.959 -5.842 1.00 22.57 C ATOM 337 C ASP A 37 -19.101 4.296 -5.225 1.00 30.45 C ATOM 338 O ASP A 37 -19.893 4.933 -4.512 1.00 32.24 O ATOM 339 CB ASP A 37 -19.020 1.811 -4.966 1.00 28.24 C ATOM 340 CG ASP A 37 -19.527 0.464 -5.439 1.00 37.87 C ATOM 341 OD1 ASP A 37 -20.649 0.395 -5.983 1.00 41.90 O ATOM 342 OD2 ASP A 37 -18.798 -0.534 -5.254 1.00 42.77 O ATOM 343 H ASP A 37 -18.079 2.256 -7.358 1.00 0.00 H ATOM 344 N ILE A 38 -17.874 4.712 -5.498 1.00 27.60 N ATOM 345 CA ILE A 38 -17.393 6.031 -5.084 1.00 28.76 C ATOM 346 C ILE A 38 -18.254 7.101 -5.745 1.00 31.57 C ATOM 347 O ILE A 38 -18.768 8.004 -5.104 1.00 25.89 O ATOM 348 CB ILE A 38 -15.905 6.179 -5.431 1.00 32.73 C ATOM 349 CG1 ILE A 38 -15.098 5.162 -4.636 1.00 29.44 C ATOM 350 CG2 ILE A 38 -15.398 7.583 -5.153 1.00 31.76 C ATOM 351 CD1 ILE A 38 -13.738 4.907 -5.198 1.00 27.64 C ATOM 352 H ILE A 38 -17.233 4.083 -6.022 1.00 0.00 H ATOM 353 N ALA A 39 -18.424 7.003 -7.054 1.00 26.60 N ATOM 354 CA ALA A 39 -19.264 7.957 -7.748 1.00 22.40 C ATOM 355 C ALA A 39 -20.701 7.966 -7.233 1.00 23.89 C ATOM 356 O ALA A 39 -21.316 9.027 -7.120 1.00 27.64 O ATOM 357 CB ALA A 39 -19.235 7.661 -9.278 1.00 23.49 C ATOM 358 H ALA A 39 -17.955 6.241 -7.584 1.00 0.00 H ATOM 359 N ALA A 40 -21.253 6.800 -6.921 1.00 26.21 N ATOM 360 CA ALA A 40 -22.642 6.745 -6.482 1.00 27.85 C ATOM 361 C ALA A 40 -22.816 7.447 -5.114 1.00 32.60 C ATOM 362 O ALA A 40 -23.804 8.138 -4.881 1.00 31.40 O ATOM 363 CB ALA A 40 -23.121 5.298 -6.405 1.00 33.41 C ATOM 364 H ALA A 40 -20.694 5.925 -6.990 1.00 0.00 H ATOM 365 N TYR A 41 -21.839 7.274 -4.236 1.00 32.55 N ATOM 366 CA TYR A 41 -21.866 7.883 -2.904 1.00 33.62 C ATOM 367 C TYR A 41 -21.832 9.411 -2.998 1.00 34.09 C ATOM 368 O TYR A 41 -22.604 10.106 -2.332 1.00 33.04 O ATOM 369 CB TYR A 41 -20.686 7.352 -2.081 1.00 29.30 C ATOM 370 CG TYR A 41 -20.535 7.958 -0.696 1.00 36.25 C ATOM 371 CD1 TYR A 41 -19.807 9.122 -0.500 1.00 36.94 C ATOM 372 CD2 TYR A 41 -21.096 7.346 0.411 1.00 44.90 C ATOM 373 CE1 TYR A 41 -19.662 9.674 0.762 1.00 38.23 C ATOM 374 CE2 TYR A 41 -20.954 7.885 1.663 1.00 46.65 C ATOM 375 CZ TYR A 41 -20.237 9.049 1.836 1.00 58.83 C ATOM 376 OH TYR A 41 -20.092 9.594 3.094 1.00 64.84 O ATOM 377 HH TYR A 41 -19.552 10.422 3.034 1.00 0.00 H ATOM 378 H TYR A 41 -21.024 6.685 -4.502 1.00 0.00 H ATOM 379 N ILE A 42 -20.951 9.934 -3.846 1.00 33.95 N ATOM 380 CA ILE A 42 -20.833 11.381 -4.028 1.00 33.96 C ATOM 381 C ILE A 42 -22.111 11.946 -4.626 1.00 37.44 C ATOM 382 O ILE A 42 -22.650 12.942 -4.145 1.00 31.02 O ATOM 383 CB ILE A 42 -19.626 11.736 -4.907 1.00 34.42 C ATOM 384 CG1 ILE A 42 -18.346 11.233 -4.256 1.00 31.21 C ATOM 385 CG2 ILE A 42 -19.565 13.245 -5.153 1.00 28.78 C ATOM 386 CD1 ILE A 42 -17.125 11.262 -5.124 1.00 27.78 C ATOM 387 H ILE A 42 -20.332 9.301 -4.392 1.00 0.00 H ATOM 388 N LYS A 43 -22.588 11.323 -5.695 1.00 30.92 N ATOM 389 CA LYS A 43 -23.785 11.797 -6.364 1.00 29.37 C ATOM 390 C LYS A 43 -24.950 11.869 -5.374 1.00 30.48 C ATOM 391 O LYS A 43 -25.699 12.838 -5.336 1.00 36.71 O ATOM 392 CB LYS A 43 -24.121 10.882 -7.543 1.00 34.45 C ATOM 393 CG LYS A 43 -25.342 11.296 -8.337 1.00 35.63 C ATOM 394 CD LYS A 43 -26.621 10.779 -7.724 1.00 42.63 C ATOM 395 CE LYS A 43 -27.655 10.428 -8.767 1.00 36.53 C ATOM 396 NZ LYS A 43 -28.359 11.617 -9.328 1.00 36.32 N ATOM 397 HZ1 LYS A 43 -28.847 12.123 -8.562 1.00 0.00 H ATOM 398 HZ2 LYS A 43 -27.666 12.250 -9.776 1.00 0.00 H ATOM 399 HZ3 LYS A 43 -29.053 11.305 -10.036 1.00 0.00 H ATOM 400 H LYS A 43 -22.097 10.482 -6.059 1.00 0.00 H ATOM 401 N LYS A 44 -25.098 10.832 -4.571 1.00 33.43 N ATOM 402 CA LYS A 44 -26.233 10.757 -3.652 1.00 34.91 C ATOM 403 C LYS A 44 -26.130 11.809 -2.547 1.00 38.15 C ATOM 404 O LYS A 44 -27.127 12.439 -2.200 1.00 43.05 O ATOM 405 CB LYS A 44 -26.334 9.356 -3.056 1.00 33.69 C ATOM 406 CG LYS A 44 -26.867 8.313 -4.043 1.00 35.69 C ATOM 407 CD LYS A 44 -26.640 6.908 -3.516 1.00 41.89 C ATOM 408 CE LYS A 44 -27.279 5.861 -4.426 1.00 57.09 C ATOM 409 NZ LYS A 44 -26.858 4.490 -4.045 1.00 66.66 N ATOM 410 HZ1 LYS A 44 -25.824 4.412 -4.123 1.00 0.00 H ATOM 411 HZ2 LYS A 44 -27.148 4.300 -3.065 1.00 0.00 H ATOM 412 HZ3 LYS A 44 -27.308 3.801 -4.681 1.00 0.00 H ATOM 413 H LYS A 44 -24.401 10.061 -4.592 1.00 0.00 H ATOM 414 N GLU A 45 -24.932 12.006 -2.005 1.00 40.28 N ATOM 415 CA GLU A 45 -24.734 13.049 -1.000 1.00 45.36 C ATOM 416 C GLU A 45 -25.095 14.410 -1.568 1.00 40.86 C ATOM 417 O GLU A 45 -25.724 15.214 -0.900 1.00 42.78 O ATOM 418 CB GLU A 45 -23.291 13.081 -0.502 1.00 43.36 C ATOM 419 CG GLU A 45 -22.877 11.863 0.288 1.00 69.95 C ATOM 420 CD GLU A 45 -23.381 11.911 1.700 1.00 79.99 C ATOM 421 OE1 GLU A 45 -23.243 12.987 2.326 1.00 70.75 O ATOM 422 OE2 GLU A 45 -23.919 10.881 2.170 1.00 71.41 O ATOM 423 H GLU A 45 -24.129 11.413 -2.298 1.00 0.00 H ATOM 424 N PHE A 46 -24.699 14.684 -2.809 1.00 34.57 N ATOM 425 CA PHE A 46 -24.962 16.004 -3.364 1.00 35.37 C ATOM 426 C PHE A 46 -26.422 16.177 -3.740 1.00 37.63 C ATOM 427 O PHE A 46 -26.960 17.281 -3.624 1.00 36.39 O ATOM 428 CB PHE A 46 -24.050 16.279 -4.561 1.00 34.76 C ATOM 429 CG PHE A 46 -22.878 17.127 -4.207 1.00 37.01 C ATOM 430 CD1 PHE A 46 -21.994 16.721 -3.226 1.00 43.23 C ATOM 431 CD2 PHE A 46 -22.681 18.345 -4.814 1.00 34.13 C ATOM 432 CE1 PHE A 46 -20.921 17.508 -2.871 1.00 37.89 C ATOM 433 CE2 PHE A 46 -21.601 19.144 -4.457 1.00 44.43 C ATOM 434 CZ PHE A 46 -20.724 18.721 -3.493 1.00 37.16 C ATOM 435 H PHE A 46 -24.207 13.964 -3.376 1.00 0.00 H ATOM 436 N ASP A 47 -27.073 15.101 -4.167 1.00 34.47 N ATOM 437 CA ASP A 47 -28.508 15.156 -4.417 1.00 41.32 C ATOM 438 C ASP A 47 -29.220 15.593 -3.133 1.00 47.43 C ATOM 439 O ASP A 47 -30.192 16.352 -3.161 1.00 48.92 O ATOM 440 CB ASP A 47 -29.048 13.805 -4.869 1.00 54.48 C ATOM 441 CG ASP A 47 -28.907 13.590 -6.354 1.00 39.56 C ATOM 442 OD1 ASP A 47 -28.432 14.517 -7.053 1.00 36.99 O ATOM 443 OD2 ASP A 47 -29.316 12.505 -6.824 1.00 41.94 O ATOM 444 H ASP A 47 -26.555 14.213 -4.324 1.00 0.00 H ATOM 445 N LYS A 48 -28.720 15.102 -2.008 1.00 38.62 N ATOM 446 CA LYS A 48 -29.342 15.371 -0.702 1.00 48.37 C ATOM 447 C LYS A 48 -28.975 16.754 -0.192 1.00 57.69 C ATOM 448 O LYS A 48 -29.848 17.589 0.049 1.00 66.12 O ATOM 449 CB LYS A 48 -28.920 14.320 0.325 1.00 56.86 C ATOM 450 CG LYS A 48 -29.754 13.035 0.315 1.00 84.01 C ATOM 451 CD LYS A 48 -29.305 12.064 1.417 1.00103.90 C ATOM 452 CE LYS A 48 -27.866 11.569 1.211 1.00113.68 C ATOM 453 NZ LYS A 48 -27.769 10.088 1.030 1.00114.64 N ATOM 454 HZ1 LYS A 48 -28.147 9.611 1.874 1.00 0.00 H ATOM 455 HZ2 LYS A 48 -28.320 9.805 0.195 1.00 0.00 H ATOM 456 HZ3 LYS A 48 -26.773 9.821 0.896 1.00 0.00 H ATOM 457 H LYS A 48 -27.865 14.511 -2.049 1.00 0.00 H ATOM 458 N LYS A 49 -27.676 16.980 -0.021 1.00 45.89 N ATOM 459 CA LYS A 49 -27.160 18.247 0.493 1.00 50.24 C ATOM 460 C LYS A 49 -27.533 19.444 -0.392 1.00 48.47 C ATOM 461 O LYS A 49 -27.774 20.547 0.110 1.00 47.69 O ATOM 462 CB LYS A 49 -25.632 18.186 0.632 1.00 42.38 C ATOM 463 CG LYS A 49 -25.092 17.321 1.767 1.00 52.43 C ATOM 464 CD LYS A 49 -23.572 17.268 1.671 1.00 68.10 C ATOM 465 CE LYS A 49 -22.931 16.245 2.598 1.00 68.84 C ATOM 466 NZ LYS A 49 -22.586 16.812 3.928 1.00 86.40 N ATOM 467 HZ1 LYS A 49 -21.914 17.596 3.805 1.00 0.00 H ATOM 468 HZ2 LYS A 49 -23.450 17.163 4.389 1.00 0.00 H ATOM 469 HZ3 LYS A 49 -22.153 16.072 4.517 1.00 0.00 H ATOM 470 H LYS A 49 -27.001 16.226 -0.262 1.00 0.00 H ATOM 471 N TYR A 50 -27.571 19.238 -1.705 1.00 43.97 N ATOM 472 CA TYR A 50 -27.667 20.366 -2.628 1.00 43.42 C ATOM 473 C TYR A 50 -28.732 20.217 -3.705 1.00 52.51 C ATOM 474 O TYR A 50 -28.694 20.923 -4.707 1.00 54.10 O ATOM 475 CB TYR A 50 -26.309 20.595 -3.284 1.00 41.04 C ATOM 476 CG TYR A 50 -25.254 21.042 -2.308 1.00 43.22 C ATOM 477 CD1 TYR A 50 -25.289 22.316 -1.762 1.00 46.46 C ATOM 478 CD2 TYR A 50 -24.231 20.193 -1.919 1.00 45.10 C ATOM 479 CE1 TYR A 50 -24.334 22.732 -0.864 1.00 53.69 C ATOM 480 CE2 TYR A 50 -23.262 20.603 -1.017 1.00 65.17 C ATOM 481 CZ TYR A 50 -23.322 21.872 -0.489 1.00 54.09 C ATOM 482 OH TYR A 50 -22.361 22.293 0.404 1.00 67.17 O ATOM 483 HH TYR A 50 -22.369 21.702 1.198 1.00 0.00 H ATOM 484 H TYR A 50 -27.532 18.268 -2.077 1.00 0.00 H ATOM 485 N ASN A 51 -29.674 19.304 -3.487 1.00 44.94 N ATOM 486 CA ASN A 51 -30.824 19.106 -4.370 1.00 43.08 C ATOM 487 C ASN A 51 -30.428 18.364 -5.650 1.00 54.90 C ATOM 488 O ASN A 51 -29.322 18.545 -6.154 1.00 50.64 O ATOM 489 CB ASN A 51 -31.488 20.440 -4.742 1.00 58.95 C ATOM 490 CG ASN A 51 -32.006 21.198 -3.533 1.00 77.74 C ATOM 491 OD1 ASN A 51 -32.333 20.604 -2.506 1.00 81.05 O ATOM 492 ND2 ASN A 51 -32.097 22.519 -3.657 1.00 84.30 N ATOM 493 HD22 ASN A 51 -31.809 22.979 -4.544 1.00 0.00 H ATOM 494 HD21 ASN A 51 -32.456 23.092 -2.867 1.00 0.00 H ATOM 495 H ASN A 51 -29.589 18.699 -2.645 1.00 0.00 H ATOM 496 N PRO A 52 -31.328 17.516 -6.175 1.00 53.03 N ATOM 497 CA PRO A 52 -31.087 16.875 -7.477 1.00 46.77 C ATOM 498 C PRO A 52 -31.025 17.887 -8.626 1.00 46.59 C ATOM 499 O PRO A 52 -31.482 19.009 -8.427 1.00 56.96 O ATOM 500 CB PRO A 52 -32.291 15.946 -7.639 1.00 57.69 C ATOM 501 CG PRO A 52 -32.797 15.717 -6.265 1.00 61.83 C ATOM 502 CD PRO A 52 -32.505 16.956 -5.490 1.00 52.20 C ATOM 503 N THR A 53 -30.498 17.531 -9.799 1.00 46.95 N ATOM 504 CA THR A 53 -29.998 16.197 -10.127 1.00 56.76 C ATOM 505 C THR A 53 -28.507 16.250 -10.458 1.00 33.24 C ATOM 506 O THR A 53 -28.104 16.961 -11.380 1.00 38.02 O ATOM 507 CB THR A 53 -30.762 15.607 -11.331 1.00 43.08 C ATOM 508 OG1 THR A 53 -32.137 15.419 -10.979 1.00 54.56 O ATOM 509 CG2 THR A 53 -30.159 14.272 -11.779 1.00 41.22 C ATOM 510 HG1 THR A 53 -32.198 14.796 -10.212 1.00 0.00 H ATOM 511 H THR A 53 -30.438 18.260 -10.538 1.00 0.00 H ATOM 512 N TRP A 54 -27.701 15.491 -9.718 1.00 33.77 N ATOM 513 CA TRP A 54 -26.256 15.435 -9.958 1.00 36.91 C ATOM 514 C TRP A 54 -25.814 14.163 -10.664 1.00 26.34 C ATOM 515 O TRP A 54 -26.506 13.146 -10.635 1.00 32.87 O ATOM 516 CB TRP A 54 -25.487 15.544 -8.650 1.00 34.47 C ATOM 517 CG TRP A 54 -25.699 16.826 -7.954 1.00 35.54 C ATOM 518 CD1 TRP A 54 -26.763 17.164 -7.166 1.00 43.65 C ATOM 519 CD2 TRP A 54 -24.839 17.967 -7.984 1.00 35.84 C ATOM 520 NE1 TRP A 54 -26.617 18.449 -6.702 1.00 42.05 N ATOM 521 CE2 TRP A 54 -25.441 18.963 -7.182 1.00 34.99 C ATOM 522 CE3 TRP A 54 -23.615 18.246 -8.601 1.00 32.18 C ATOM 523 CZ2 TRP A 54 -24.861 20.214 -6.990 1.00 39.20 C ATOM 524 CZ3 TRP A 54 -23.035 19.491 -8.398 1.00 31.45 C ATOM 525 CH2 TRP A 54 -23.662 20.459 -7.602 1.00 37.59 C ATOM 526 HE1 TRP A 54 -27.289 18.950 -6.087 1.00 0.00 H ATOM 527 H TRP A 54 -28.108 14.922 -8.948 1.00 0.00 H ATOM 528 N HIS A 55 -24.631 14.244 -11.267 1.00 29.15 N ATOM 529 CA HIS A 55 -24.020 13.148 -12.001 1.00 27.78 C ATOM 530 C HIS A 55 -22.568 13.114 -11.598 1.00 22.96 C ATOM 531 O HIS A 55 -21.939 14.160 -11.448 1.00 27.47 O ATOM 532 CB HIS A 55 -24.153 13.355 -13.515 1.00 28.58 C ATOM 533 CG HIS A 55 -25.517 13.774 -13.936 1.00 29.33 C ATOM 534 ND1 HIS A 55 -26.516 12.866 -14.240 1.00 34.26 N ATOM 535 CD2 HIS A 55 -26.072 14.996 -14.088 1.00 34.26 C ATOM 536 CE1 HIS A 55 -27.612 13.514 -14.561 1.00 33.58 C ATOM 537 NE2 HIS A 55 -27.371 14.817 -14.481 1.00 37.49 N ATOM 538 H HIS A 55 -24.113 15.144 -11.210 1.00 0.00 H ATOM 539 N CYS A 56 -22.018 11.920 -11.440 1.00 25.82 N ATOM 540 CA CYS A 56 -20.652 11.796 -10.990 1.00 22.03 C ATOM 541 C CYS A 56 -19.926 10.713 -11.767 1.00 21.55 C ATOM 542 O CYS A 56 -20.437 9.603 -11.935 1.00 23.76 O ATOM 543 CB CYS A 56 -20.598 11.480 -9.481 1.00 24.33 C ATOM 544 SG CYS A 56 -18.969 11.628 -8.819 1.00 26.63 S ATOM 545 H CYS A 56 -22.574 11.065 -11.642 1.00 0.00 H ATOM 546 N ILE A 57 -18.740 11.067 -12.257 1.00 23.92 N ATOM 547 CA ILE A 57 -17.830 10.127 -12.884 1.00 22.22 C ATOM 548 C ILE A 57 -16.538 10.128 -12.085 1.00 20.54 C ATOM 549 O ILE A 57 -16.008 11.186 -11.718 1.00 22.88 O ATOM 550 CB ILE A 57 -17.563 10.473 -14.367 1.00 19.76 C ATOM 551 CG1 ILE A 57 -18.796 10.168 -15.206 1.00 27.14 C ATOM 552 CG2 ILE A 57 -16.396 9.651 -14.920 1.00 23.67 C ATOM 553 CD1 ILE A 57 -19.856 11.182 -15.119 1.00 25.71 C ATOM 554 H ILE A 57 -18.452 12.064 -12.187 1.00 0.00 H ATOM 555 N VAL A 58 -16.037 8.932 -11.822 1.00 25.48 N ATOM 556 CA VAL A 58 -14.837 8.756 -11.039 1.00 23.47 C ATOM 557 C VAL A 58 -13.944 7.810 -11.800 1.00 19.55 C ATOM 558 O VAL A 58 -14.383 6.743 -12.193 1.00 22.90 O ATOM 559 CB VAL A 58 -15.170 8.207 -9.632 1.00 23.87 C ATOM 560 CG1 VAL A 58 -13.906 7.874 -8.874 1.00 24.32 C ATOM 561 CG2 VAL A 58 -16.004 9.207 -8.842 1.00 26.44 C ATOM 562 H VAL A 58 -16.524 8.091 -12.192 1.00 0.00 H ATOM 563 N GLY A 59 -12.693 8.199 -12.015 1.00 22.23 N ATOM 564 CA GLY A 59 -11.776 7.357 -12.757 1.00 23.69 C ATOM 565 C GLY A 59 -10.372 7.902 -12.909 1.00 24.40 C ATOM 566 O GLY A 59 -10.078 9.029 -12.520 1.00 25.83 O ATOM 567 H GLY A 59 -12.368 9.116 -11.648 1.00 0.00 H ATOM 568 N ARG A 60 -9.502 7.079 -13.486 1.00 27.27 N ATOM 569 CA ARG A 60 -8.118 7.448 -13.719 1.00 24.53 C ATOM 570 C ARG A 60 -7.860 7.761 -15.181 1.00 25.18 C ATOM 571 O ARG A 60 -6.842 8.372 -15.514 1.00 26.83 O ATOM 572 CB ARG A 60 -7.195 6.326 -13.255 1.00 28.29 C ATOM 573 CG ARG A 60 -7.260 6.119 -11.744 1.00 34.06 C ATOM 574 CD ARG A 60 -6.543 4.866 -11.303 1.00 45.25 C ATOM 575 NE ARG A 60 -6.731 4.655 -9.867 1.00 67.94 N ATOM 576 CZ ARG A 60 -5.832 4.945 -8.927 1.00 81.56 C ATOM 577 NH1 ARG A 60 -4.642 5.440 -9.249 1.00 79.58 N ATOM 578 NH2 ARG A 60 -6.122 4.720 -7.652 1.00 77.53 N ATOM 579 HE ARG A 60 -7.636 4.247 -9.556 1.00 0.00 H ATOM 580 HH12 ARG A 60 -3.952 5.661 -8.503 1.00 0.00 H ATOM 581 HH11 ARG A 60 -4.401 5.607 -10.247 1.00 0.00 H ATOM 582 HH22 ARG A 60 -5.425 4.944 -6.913 1.00 0.00 H ATOM 583 HH21 ARG A 60 -7.046 4.320 -7.392 1.00 0.00 H ATOM 584 H ARG A 60 -9.825 6.136 -13.781 1.00 0.00 H ATOM 585 N ASN A 61 -8.771 7.337 -16.060 1.00 25.37 N ATOM 586 CA ASN A 61 -8.616 7.630 -17.481 1.00 29.08 C ATOM 587 C ASN A 61 -9.936 7.827 -18.202 1.00 21.72 C ATOM 588 O ASN A 61 -10.627 6.863 -18.531 1.00 24.74 O ATOM 589 CB ASN A 61 -7.858 6.523 -18.195 1.00 30.33 C ATOM 590 CG ASN A 61 -7.678 6.832 -19.668 1.00 31.04 C ATOM 591 OD1 ASN A 61 -8.433 6.351 -20.509 1.00 30.30 O ATOM 592 ND2 ASN A 61 -6.714 7.682 -19.978 1.00 33.25 N ATOM 593 HD22 ASN A 61 -6.098 8.064 -19.232 1.00 0.00 H ATOM 594 HD21 ASN A 61 -6.572 7.968 -20.968 1.00 0.00 H ATOM 595 H ASN A 61 -9.595 6.795 -15.730 1.00 0.00 H ATOM 596 N PHE A 62 -10.268 9.084 -18.451 1.00 20.67 N ATOM 597 CA PHE A 62 -11.449 9.435 -19.210 1.00 25.97 C ATOM 598 C PHE A 62 -11.400 10.893 -19.629 1.00 26.42 C ATOM 599 O PHE A 62 -10.730 11.722 -19.021 1.00 23.85 O ATOM 600 CB PHE A 62 -12.725 9.130 -18.409 1.00 19.79 C ATOM 601 CG PHE A 62 -12.964 10.043 -17.222 1.00 22.49 C ATOM 602 CD1 PHE A 62 -12.385 9.773 -15.991 1.00 26.07 C ATOM 603 CD2 PHE A 62 -13.802 11.133 -17.330 1.00 21.99 C ATOM 604 CE1 PHE A 62 -12.626 10.608 -14.902 1.00 22.48 C ATOM 605 CE2 PHE A 62 -14.036 11.966 -16.267 1.00 27.62 C ATOM 606 CZ PHE A 62 -13.454 11.700 -15.043 1.00 24.18 C ATOM 607 H PHE A 62 -9.659 9.845 -18.089 1.00 0.00 H ATOM 608 N GLY A 63 -12.077 11.186 -20.730 1.00 22.31 N ATOM 609 CA GLY A 63 -12.346 12.546 -21.112 1.00 20.35 C ATOM 610 C GLY A 63 -13.847 12.702 -21.174 1.00 15.44 C ATOM 611 O GLY A 63 -14.574 11.717 -21.251 1.00 22.54 O ATOM 612 H GLY A 63 -12.423 10.412 -21.333 1.00 0.00 H ATOM 613 N SER A 64 -14.326 13.933 -21.129 1.00 20.51 N ATOM 614 CA SER A 64 -15.743 14.163 -21.137 1.00 23.14 C ATOM 615 C SER A 64 -16.080 15.429 -21.887 1.00 18.63 C ATOM 616 O SER A 64 -15.253 16.327 -22.009 1.00 26.85 O ATOM 617 CB SER A 64 -16.267 14.270 -19.706 1.00 26.34 C ATOM 618 OG SER A 64 -15.948 15.535 -19.147 1.00 26.46 O ATOM 619 HG SER A 64 -14.965 15.652 -19.138 1.00 0.00 H ATOM 620 H SER A 64 -13.672 14.741 -21.088 1.00 0.00 H ATOM 621 N TYR A 65 -17.315 15.482 -22.366 1.00 24.04 N ATOM 622 CA TYR A 65 -17.941 16.721 -22.789 1.00 26.83 C ATOM 623 C TYR A 65 -19.369 16.701 -22.271 1.00 27.09 C ATOM 624 O TYR A 65 -20.210 15.934 -22.744 1.00 26.56 O ATOM 625 CB TYR A 65 -17.906 16.872 -24.313 1.00 27.15 C ATOM 626 CG TYR A 65 -18.216 18.268 -24.809 1.00 27.65 C ATOM 627 CD1 TYR A 65 -17.453 19.354 -24.421 1.00 28.81 C ATOM 628 CD2 TYR A 65 -19.255 18.489 -25.702 1.00 35.47 C ATOM 629 CE1 TYR A 65 -17.730 20.632 -24.892 1.00 40.73 C ATOM 630 CE2 TYR A 65 -19.537 19.756 -26.173 1.00 38.00 C ATOM 631 CZ TYR A 65 -18.767 20.823 -25.774 1.00 42.18 C ATOM 632 OH TYR A 65 -19.052 22.088 -26.250 1.00 44.49 O ATOM 633 HH TYR A 65 -19.972 22.340 -25.985 1.00 0.00 H ATOM 634 H TYR A 65 -17.858 14.598 -22.442 1.00 0.00 H ATOM 635 N VAL A 66 -19.630 17.540 -21.280 1.00 28.64 N ATOM 636 CA VAL A 66 -20.920 17.586 -20.624 1.00 27.88 C ATOM 637 C VAL A 66 -21.417 19.017 -20.641 1.00 28.03 C ATOM 638 O VAL A 66 -20.624 19.947 -20.719 1.00 31.61 O ATOM 639 CB VAL A 66 -20.831 17.058 -19.168 1.00 28.66 C ATOM 640 CG1 VAL A 66 -20.140 15.718 -19.138 1.00 25.31 C ATOM 641 CG2 VAL A 66 -20.093 18.060 -18.274 1.00 35.24 C ATOM 642 H VAL A 66 -18.882 18.189 -20.962 1.00 0.00 H ATOM 643 N THR A 67 -22.730 19.189 -20.551 1.00 33.95 N ATOM 644 CA THR A 67 -23.315 20.516 -20.462 1.00 35.80 C ATOM 645 C THR A 67 -23.864 20.693 -19.064 1.00 32.18 C ATOM 646 O THR A 67 -24.815 20.016 -18.675 1.00 40.53 O ATOM 647 CB THR A 67 -24.440 20.733 -21.485 1.00 37.11 C ATOM 648 OG1 THR A 67 -23.967 20.404 -22.795 1.00 39.55 O ATOM 649 CG2 THR A 67 -24.904 22.176 -21.453 1.00 45.72 C ATOM 650 HG1 THR A 67 -23.198 20.985 -23.022 1.00 0.00 H ATOM 651 H THR A 67 -23.353 18.356 -20.544 1.00 0.00 H ATOM 652 N HIS A 68 -23.269 21.590 -18.294 1.00 42.20 N ATOM 653 CA HIS A 68 -23.686 21.740 -16.916 1.00 47.77 C ATOM 654 C HIS A 68 -24.381 23.056 -16.639 1.00 57.66 C ATOM 655 O HIS A 68 -24.197 24.051 -17.344 1.00 47.83 O ATOM 656 CB HIS A 68 -22.488 21.604 -15.985 1.00 43.24 C ATOM 657 CG HIS A 68 -21.471 22.684 -16.145 1.00 34.71 C ATOM 658 ND1 HIS A 68 -21.549 23.883 -15.470 1.00 43.60 N ATOM 659 CD2 HIS A 68 -20.342 22.747 -16.892 1.00 38.56 C ATOM 660 CE1 HIS A 68 -20.513 24.633 -15.789 1.00 37.87 C ATOM 661 NE2 HIS A 68 -19.765 23.968 -16.654 1.00 45.86 N ATOM 662 H HIS A 68 -22.506 22.184 -18.677 1.00 0.00 H ATOM 663 N GLU A 69 -25.193 23.028 -15.593 1.00 47.01 N ATOM 664 CA GLU A 69 -25.828 24.216 -15.062 1.00 51.70 C ATOM 665 C GLU A 69 -24.744 25.120 -14.499 1.00 50.57 C ATOM 666 O GLU A 69 -23.802 24.646 -13.860 1.00 43.05 O ATOM 667 CB GLU A 69 -26.841 23.833 -13.982 1.00 47.89 C ATOM 668 CG GLU A 69 -27.633 24.989 -13.423 1.00 54.67 C ATOM 669 CD GLU A 69 -28.580 24.562 -12.316 1.00 67.08 C ATOM 670 OE1 GLU A 69 -28.774 23.343 -12.120 1.00 49.54 O ATOM 671 OE2 GLU A 69 -29.131 25.453 -11.637 1.00 88.32 O ATOM 672 H GLU A 69 -25.382 22.114 -15.134 1.00 0.00 H ATOM 673 N THR A 70 -24.851 26.420 -14.743 1.00 52.83 N ATOM 674 CA THR A 70 -23.842 27.335 -14.222 1.00 55.72 C ATOM 675 C THR A 70 -23.826 27.228 -12.701 1.00 45.73 C ATOM 676 O THR A 70 -24.871 27.114 -12.064 1.00 50.24 O ATOM 677 CB THR A 70 -24.087 28.795 -14.643 1.00 61.40 C ATOM 678 OG1 THR A 70 -25.341 29.241 -14.119 1.00 69.22 O ATOM 679 CG2 THR A 70 -24.082 28.927 -16.173 1.00 59.16 C ATOM 680 HG1 THR A 70 -25.325 29.181 -13.131 1.00 0.00 H ATOM 681 H THR A 70 -25.649 26.784 -15.302 1.00 0.00 H ATOM 682 N ARG A 71 -22.618 27.238 -12.150 1.00 47.01 N ATOM 683 CA ARG A 71 -22.370 27.165 -10.706 1.00 45.42 C ATOM 684 C ARG A 71 -22.640 25.775 -10.119 1.00 45.13 C ATOM 685 O ARG A 71 -22.797 25.620 -8.911 1.00 41.47 O ATOM 686 CB ARG A 71 -23.201 28.216 -9.969 1.00 44.52 C ATOM 687 CG ARG A 71 -22.796 29.641 -10.303 1.00 47.54 C ATOM 688 CD ARG A 71 -21.446 30.002 -9.682 1.00 56.57 C ATOM 689 NE ARG A 71 -21.550 30.246 -8.246 1.00 56.44 N ATOM 690 CZ ARG A 71 -20.519 30.537 -7.459 1.00 61.74 C ATOM 691 NH1 ARG A 71 -20.711 30.744 -6.163 1.00 55.42 N ATOM 692 NH2 ARG A 71 -19.296 30.614 -7.963 1.00 63.76 N ATOM 693 HE ARG A 71 -22.493 30.188 -7.810 1.00 0.00 H ATOM 694 HH12 ARG A 71 -19.904 30.972 -5.548 1.00 0.00 H ATOM 695 HH11 ARG A 71 -21.668 30.679 -5.762 1.00 0.00 H ATOM 696 HH22 ARG A 71 -18.492 30.842 -7.344 1.00 0.00 H ATOM 697 HH21 ARG A 71 -19.140 30.447 -8.978 1.00 0.00 H ATOM 698 H ARG A 71 -21.795 27.302 -12.783 1.00 0.00 H ATOM 699 N HIS A 72 -22.659 24.756 -10.971 1.00 43.02 N ATOM 700 CA HIS A 72 -22.831 23.385 -10.498 1.00 40.60 C ATOM 701 C HIS A 72 -21.954 22.422 -11.278 1.00 40.35 C ATOM 702 O HIS A 72 -22.444 21.479 -11.893 1.00 34.16 O ATOM 703 CB HIS A 72 -24.297 22.967 -10.601 1.00 38.37 C ATOM 704 CG HIS A 72 -25.216 23.833 -9.800 1.00 47.59 C ATOM 705 ND1 HIS A 72 -25.776 24.985 -10.300 1.00 58.07 N ATOM 706 CD2 HIS A 72 -25.644 23.730 -8.517 1.00 48.78 C ATOM 707 CE1 HIS A 72 -26.528 25.549 -9.369 1.00 65.07 C ATOM 708 NE2 HIS A 72 -26.460 24.808 -8.280 1.00 49.54 N ATOM 709 H HIS A 72 -22.550 24.937 -11.989 1.00 0.00 H ATOM 710 N PHE A 73 -20.650 22.659 -11.221 1.00 37.32 N ATOM 711 CA PHE A 73 -19.681 21.836 -11.925 1.00 32.72 C ATOM 712 C PHE A 73 -18.372 21.833 -11.164 1.00 30.54 C ATOM 713 O PHE A 73 -17.861 22.886 -10.797 1.00 31.79 O ATOM 714 CB PHE A 73 -19.477 22.363 -13.355 1.00 34.16 C ATOM 715 CG PHE A 73 -18.343 21.713 -14.096 1.00 42.27 C ATOM 716 CD1 PHE A 73 -18.558 20.576 -14.859 1.00 33.07 C ATOM 717 CD2 PHE A 73 -17.069 22.251 -14.053 1.00 37.11 C ATOM 718 CE1 PHE A 73 -17.520 19.984 -15.550 1.00 38.54 C ATOM 719 CE2 PHE A 73 -16.026 21.660 -14.733 1.00 38.20 C ATOM 720 CZ PHE A 73 -16.248 20.525 -15.484 1.00 35.58 C ATOM 721 H PHE A 73 -20.310 23.461 -10.653 1.00 0.00 H ATOM 722 N ILE A 74 -17.834 20.649 -10.908 1.00 31.16 N ATOM 723 CA ILE A 74 -16.481 20.562 -10.407 1.00 31.74 C ATOM 724 C ILE A 74 -15.796 19.352 -11.009 1.00 26.40 C ATOM 725 O ILE A 74 -16.388 18.290 -11.208 1.00 29.78 O ATOM 726 CB ILE A 74 -16.422 20.529 -8.856 1.00 25.67 C ATOM 727 CG1 ILE A 74 -14.968 20.642 -8.395 1.00 40.49 C ATOM 728 CG2 ILE A 74 -17.068 19.258 -8.301 1.00 30.51 C ATOM 729 CD1 ILE A 74 -14.785 20.711 -6.892 1.00 43.25 C ATOM 730 H ILE A 74 -18.386 19.782 -11.068 1.00 0.00 H ATOM 731 N TYR A 75 -14.531 19.555 -11.330 1.00 28.81 N ATOM 732 CA TYR A 75 -13.682 18.511 -11.848 1.00 27.33 C ATOM 733 C TYR A 75 -12.421 18.588 -11.031 1.00 30.17 C ATOM 734 O TYR A 75 -11.746 19.604 -11.043 1.00 28.20 O ATOM 735 CB TYR A 75 -13.394 18.704 -13.340 1.00 23.82 C ATOM 736 CG TYR A 75 -12.396 17.711 -13.872 1.00 23.21 C ATOM 737 CD1 TYR A 75 -12.653 16.346 -13.823 1.00 29.02 C ATOM 738 CD2 TYR A 75 -11.203 18.130 -14.431 1.00 33.70 C ATOM 739 CE1 TYR A 75 -11.745 15.439 -14.297 1.00 28.56 C ATOM 740 CE2 TYR A 75 -10.289 17.222 -14.912 1.00 28.82 C ATOM 741 CZ TYR A 75 -10.567 15.885 -14.852 1.00 26.60 C ATOM 742 OH TYR A 75 -9.657 14.989 -15.341 1.00 30.19 O ATOM 743 HH TYR A 75 -8.804 15.085 -14.849 1.00 0.00 H ATOM 744 H TYR A 75 -14.131 20.507 -11.204 1.00 0.00 H ATOM 745 N PHE A 76 -12.126 17.535 -10.283 1.00 26.27 N ATOM 746 CA PHE A 76 -10.961 17.539 -9.431 1.00 29.94 C ATOM 747 C PHE A 76 -10.386 16.165 -9.221 1.00 32.31 C ATOM 748 O PHE A 76 -11.054 15.149 -9.424 1.00 32.42 O ATOM 749 CB PHE A 76 -11.306 18.143 -8.069 1.00 33.19 C ATOM 750 CG PHE A 76 -12.281 17.326 -7.253 1.00 31.96 C ATOM 751 CD1 PHE A 76 -13.638 17.334 -7.548 1.00 31.18 C ATOM 752 CD2 PHE A 76 -11.843 16.584 -6.152 1.00 31.66 C ATOM 753 CE1 PHE A 76 -14.538 16.606 -6.785 1.00 30.31 C ATOM 754 CE2 PHE A 76 -12.738 15.858 -5.383 1.00 27.63 C ATOM 755 CZ PHE A 76 -14.082 15.864 -5.691 1.00 28.98 C ATOM 756 H PHE A 76 -12.741 16.696 -10.310 1.00 0.00 H ATOM 757 N TYR A 77 -9.131 16.164 -8.792 1.00 33.05 N ATOM 758 CA TYR A 77 -8.450 14.965 -8.361 1.00 25.83 C ATOM 759 C TYR A 77 -8.432 14.862 -6.845 1.00 35.02 C ATOM 760 O TYR A 77 -8.261 15.860 -6.148 1.00 33.70 O ATOM 761 CB TYR A 77 -7.014 14.964 -8.864 1.00 34.55 C ATOM 762 CG TYR A 77 -6.849 14.421 -10.255 1.00 31.26 C ATOM 763 CD1 TYR A 77 -7.131 15.204 -11.361 1.00 35.32 C ATOM 764 CD2 TYR A 77 -6.398 13.125 -10.461 1.00 33.35 C ATOM 765 CE1 TYR A 77 -6.975 14.703 -12.655 1.00 35.47 C ATOM 766 CE2 TYR A 77 -6.240 12.615 -11.746 1.00 33.13 C ATOM 767 CZ TYR A 77 -6.523 13.415 -12.832 1.00 32.25 C ATOM 768 OH TYR A 77 -6.358 12.910 -14.106 1.00 35.89 O ATOM 769 HH TYR A 77 -6.942 12.119 -14.225 1.00 0.00 H ATOM 770 H TYR A 77 -8.614 17.066 -8.765 1.00 0.00 H ATOM 771 N LEU A 78 -8.645 13.653 -6.347 1.00 31.78 N ATOM 772 CA LEU A 78 -8.368 13.344 -4.948 1.00 33.54 C ATOM 773 C LEU A 78 -7.342 12.223 -4.994 1.00 40.09 C ATOM 774 O LEU A 78 -7.671 11.077 -5.289 1.00 40.25 O ATOM 775 CB LEU A 78 -9.642 12.956 -4.198 1.00 37.59 C ATOM 776 CG LEU A 78 -9.568 12.745 -2.684 1.00 37.31 C ATOM 777 CD1 LEU A 78 -8.799 13.856 -1.983 1.00 42.89 C ATOM 778 CD2 LEU A 78 -10.976 12.652 -2.114 1.00 42.55 C ATOM 779 H LEU A 78 -9.018 12.907 -6.968 1.00 0.00 H ATOM 780 N GLY A 79 -6.089 12.579 -4.753 1.00 48.24 N ATOM 781 CA GLY A 79 -4.999 11.658 -4.983 1.00 41.47 C ATOM 782 C GLY A 79 -4.938 11.367 -6.467 1.00 48.51 C ATOM 783 O GLY A 79 -4.934 12.283 -7.290 1.00 39.47 O ATOM 784 H GLY A 79 -5.887 13.534 -4.394 1.00 0.00 H ATOM 785 N GLN A 80 -4.940 10.084 -6.803 1.00 43.07 N ATOM 786 CA GLN A 80 -4.704 9.627 -8.172 1.00 38.20 C ATOM 787 C GLN A 80 -6.004 9.554 -8.985 1.00 50.03 C ATOM 788 O GLN A 80 -5.992 9.316 -10.198 1.00 41.28 O ATOM 789 CB GLN A 80 -4.027 8.256 -8.138 1.00 60.08 C ATOM 790 CG GLN A 80 -3.117 8.023 -6.916 1.00 88.32 C ATOM 791 CD GLN A 80 -3.841 7.357 -5.730 1.00 93.75 C ATOM 792 OE1 GLN A 80 -4.576 8.006 -4.975 1.00 80.71 O ATOM 793 NE2 GLN A 80 -3.623 6.055 -5.566 1.00 94.26 N ATOM 794 HE22 GLN A 80 -2.998 5.546 -6.223 1.00 0.00 H ATOM 795 HE21 GLN A 80 -4.078 5.546 -4.781 1.00 0.00 H ATOM 796 H GLN A 80 -5.116 9.375 -6.063 1.00 0.00 H ATOM 797 N VAL A 81 -7.127 9.781 -8.312 1.00 35.55 N ATOM 798 CA VAL A 81 -8.443 9.575 -8.908 1.00 31.20 C ATOM 799 C VAL A 81 -9.062 10.894 -9.333 1.00 27.85 C ATOM 800 O VAL A 81 -9.063 11.858 -8.580 1.00 30.08 O ATOM 801 CB VAL A 81 -9.383 8.857 -7.932 1.00 50.89 C ATOM 802 CG1 VAL A 81 -10.674 8.467 -8.630 1.00 64.91 C ATOM 803 CG2 VAL A 81 -8.703 7.632 -7.340 1.00 60.08 C ATOM 804 H VAL A 81 -7.066 10.116 -7.329 1.00 0.00 H ATOM 805 N ALA A 82 -9.617 10.924 -10.541 1.00 27.30 N ATOM 806 CA ALA A 82 -10.306 12.108 -11.022 1.00 25.70 C ATOM 807 C ALA A 82 -11.798 11.978 -10.805 1.00 28.07 C ATOM 808 O ALA A 82 -12.377 10.908 -10.972 1.00 27.50 O ATOM 809 CB ALA A 82 -10.008 12.336 -12.493 1.00 27.49 C ATOM 810 H ALA A 82 -9.556 10.085 -11.152 1.00 0.00 H ATOM 811 N ILE A 83 -12.420 13.094 -10.465 1.00 26.65 N ATOM 812 CA ILE A 83 -13.822 13.122 -10.125 1.00 23.42 C ATOM 813 C ILE A 83 -14.485 14.271 -10.863 1.00 24.28 C ATOM 814 O ILE A 83 -14.066 15.426 -10.765 1.00 27.66 O ATOM 815 CB ILE A 83 -14.023 13.248 -8.600 1.00 27.10 C ATOM 816 CG1 ILE A 83 -13.342 12.077 -7.893 1.00 37.96 C ATOM 817 CG2 ILE A 83 -15.509 13.285 -8.250 1.00 27.26 C ATOM 818 CD1 ILE A 83 -13.317 12.185 -6.393 1.00 51.98 C ATOM 819 H ILE A 83 -11.880 13.983 -10.442 1.00 0.00 H ATOM 820 N LEU A 84 -15.529 13.929 -11.604 1.00 27.25 N ATOM 821 CA LEU A 84 -16.350 14.897 -12.298 1.00 19.65 C ATOM 822 C LEU A 84 -17.725 14.870 -11.676 1.00 20.04 C ATOM 823 O LEU A 84 -18.366 13.834 -11.649 1.00 25.32 O ATOM 824 CB LEU A 84 -16.417 14.562 -13.801 1.00 19.87 C ATOM 825 CG LEU A 84 -17.441 15.316 -14.647 1.00 27.07 C ATOM 826 CD1 LEU A 84 -17.177 16.815 -14.647 1.00 31.00 C ATOM 827 CD2 LEU A 84 -17.422 14.762 -16.072 1.00 28.48 C ATOM 828 H LEU A 84 -15.769 12.921 -11.690 1.00 0.00 H ATOM 829 N LEU A 85 -18.171 16.017 -11.175 1.00 26.42 N ATOM 830 CA LEU A 85 -19.439 16.112 -10.486 1.00 25.13 C ATOM 831 C LEU A 85 -20.176 17.351 -10.965 1.00 25.70 C ATOM 832 O LEU A 85 -19.619 18.441 -10.954 1.00 27.66 O ATOM 833 CB LEU A 85 -19.193 16.151 -8.968 1.00 29.08 C ATOM 834 CG LEU A 85 -20.372 16.432 -8.050 1.00 32.56 C ATOM 835 CD1 LEU A 85 -21.357 15.290 -8.090 1.00 27.60 C ATOM 836 CD2 LEU A 85 -19.839 16.666 -6.630 1.00 28.19 C ATOM 837 H LEU A 85 -17.590 16.873 -11.282 1.00 0.00 H ATOM 838 N PHE A 86 -21.420 17.192 -11.409 1.00 28.99 N ATOM 839 CA PHE A 86 -22.136 18.306 -12.004 1.00 27.32 C ATOM 840 C PHE A 86 -23.636 18.071 -12.070 1.00 28.85 C ATOM 841 O PHE A 86 -24.100 16.936 -11.982 1.00 28.36 O ATOM 842 CB PHE A 86 -21.582 18.578 -13.416 1.00 28.01 C ATOM 843 CG PHE A 86 -21.970 17.541 -14.443 1.00 32.23 C ATOM 844 CD1 PHE A 86 -21.285 16.341 -14.538 1.00 26.83 C ATOM 845 CD2 PHE A 86 -23.005 17.777 -15.320 1.00 37.91 C ATOM 846 CE1 PHE A 86 -21.640 15.395 -15.472 1.00 27.96 C ATOM 847 CE2 PHE A 86 -23.363 16.825 -16.272 1.00 35.84 C ATOM 848 CZ PHE A 86 -22.679 15.641 -16.344 1.00 33.82 C ATOM 849 H PHE A 86 -21.882 16.264 -11.329 1.00 0.00 H ATOM 850 N LYS A 87 -24.389 19.162 -12.198 1.00 31.19 N ATOM 851 CA LYS A 87 -25.809 19.104 -12.557 1.00 39.46 C ATOM 852 C LYS A 87 -25.937 19.424 -14.033 1.00 34.93 C ATOM 853 O LYS A 87 -25.144 20.209 -14.557 1.00 35.59 O ATOM 854 CB LYS A 87 -26.637 20.106 -11.762 1.00 49.22 C ATOM 855 CG LYS A 87 -26.861 19.793 -10.309 1.00 45.41 C ATOM 856 CD LYS A 87 -27.976 20.704 -9.805 1.00 55.88 C ATOM 857 CE LYS A 87 -28.456 20.365 -8.427 1.00 62.85 C ATOM 858 NZ LYS A 87 -29.545 21.306 -8.059 1.00 74.56 N ATOM 859 HZ1 LYS A 87 -29.181 22.280 -8.078 1.00 0.00 H ATOM 860 HZ2 LYS A 87 -30.326 21.213 -8.739 1.00 0.00 H ATOM 861 HZ3 LYS A 87 -29.888 21.081 -7.103 1.00 0.00 H ATOM 862 H LYS A 87 -23.952 20.092 -12.037 1.00 0.00 H ATOM 863 N SER A 88 -26.937 18.862 -14.709 1.00 37.30 N ATOM 864 CA SER A 88 -27.059 19.093 -16.144 1.00 40.59 C ATOM 865 C SER A 88 -27.627 20.472 -16.447 1.00 53.22 C ATOM 866 O SER A 88 -28.545 20.947 -15.769 1.00 64.21 O ATOM 867 CB SER A 88 -27.942 18.038 -16.802 1.00 51.06 C ATOM 868 OG SER A 88 -28.119 18.350 -18.174 1.00 43.94 O ATOM 869 HG SER A 88 -28.550 19.237 -18.256 1.00 0.00 H ATOM 870 H SER A 88 -27.628 18.261 -14.216 1.00 0.00 H ATOM 871 N GLY A 89 -27.065 21.106 -17.471 1.00 67.75 N ATOM 872 CA GLY A 89 -27.597 22.346 -18.001 1.00 60.13 C ATOM 873 C GLY A 89 -28.506 22.078 -19.184 1.00 78.30 C ATOM 874 O GLY A 89 -29.330 21.160 -19.150 1.00 76.35 O ATOM 875 OXT GLY A 89 -28.443 22.763 -20.206 1.00 85.20 O ATOM 876 H GLY A 89 -26.214 20.698 -17.907 1.00 0.00 H TER 877 GLY A 89 ATOM 878 N ASP B 3 -10.313 -2.545 -37.552 1.00 64.41 N ATOM 879 CA ASP B 3 -11.665 -2.038 -37.368 1.00 73.37 C ATOM 880 C ASP B 3 -12.194 -2.443 -35.989 1.00 75.91 C ATOM 881 O ASP B 3 -12.128 -3.613 -35.603 1.00 65.51 O ATOM 882 CB ASP B 3 -12.582 -2.550 -38.476 1.00 80.66 C ATOM 883 CG ASP B 3 -13.442 -1.452 -39.070 1.00 88.01 C ATOM 884 OD1 ASP B 3 -13.879 -0.555 -38.318 1.00 89.26 O ATOM 885 OD2 ASP B 3 -13.674 -1.480 -40.295 1.00 75.78 O ATOM 886 HN3 ASP B 3 -10.320 -3.582 -37.479 1.00 0.00 H ATOM 887 HN2 ASP B 3 -9.693 -2.149 -36.817 1.00 0.00 H ATOM 888 HN1 ASP B 3 -9.964 -2.265 -38.491 1.00 0.00 H ATOM 889 N ARG B 4 -12.725 -1.471 -35.255 1.00 71.30 N ATOM 890 CA ARG B 4 -13.012 -1.652 -33.834 1.00 69.30 C ATOM 891 C ARG B 4 -14.339 -2.346 -33.553 1.00 62.38 C ATOM 892 O ARG B 4 -15.367 -2.054 -34.175 1.00 59.11 O ATOM 893 CB ARG B 4 -12.991 -0.302 -33.129 1.00 75.59 C ATOM 894 CG ARG B 4 -11.604 0.295 -33.015 1.00 91.46 C ATOM 895 CD ARG B 4 -11.639 1.599 -32.241 1.00 98.89 C ATOM 896 NE ARG B 4 -10.326 2.233 -32.170 1.00 92.77 N ATOM 897 CZ ARG B 4 -9.828 3.036 -33.107 1.00 87.89 C ATOM 898 NH1 ARG B 4 -10.526 3.311 -34.204 1.00 70.13 N ATOM 899 NH2 ARG B 4 -8.622 3.566 -32.947 1.00 87.35 N ATOM 900 HE ARG B 4 -9.741 2.045 -31.331 1.00 0.00 H ATOM 901 HH12 ARG B 4 -10.127 3.940 -34.930 1.00 0.00 H ATOM 902 HH11 ARG B 4 -11.471 2.897 -34.336 1.00 0.00 H ATOM 903 HH22 ARG B 4 -8.229 4.194 -33.677 1.00 0.00 H ATOM 904 HH21 ARG B 4 -8.070 3.353 -32.092 1.00 0.00 H ATOM 905 H ARG B 4 -12.942 -0.558 -35.703 1.00 0.00 H ATOM 906 N LYS B 5 -14.296 -3.248 -32.581 1.00 44.37 N ATOM 907 CA LYS B 5 -15.439 -4.069 -32.203 1.00 44.70 C ATOM 908 C LYS B 5 -16.349 -3.332 -31.244 1.00 40.66 C ATOM 909 O LYS B 5 -15.897 -2.866 -30.204 1.00 41.27 O ATOM 910 CB LYS B 5 -14.938 -5.359 -31.569 1.00 55.32 C ATOM 911 CG LYS B 5 -16.000 -6.305 -31.042 1.00 43.47 C ATOM 912 CD LYS B 5 -15.301 -7.556 -30.526 1.00 63.74 C ATOM 913 CE LYS B 5 -16.234 -8.553 -29.883 1.00 66.11 C ATOM 914 NZ LYS B 5 -15.444 -9.705 -29.356 1.00 65.19 N ATOM 915 HZ1 LYS B 5 -14.934 -10.161 -30.139 1.00 0.00 H ATOM 916 HZ2 LYS B 5 -14.762 -9.362 -28.650 1.00 0.00 H ATOM 917 HZ3 LYS B 5 -16.088 -10.391 -28.913 1.00 0.00 H ATOM 918 H LYS B 5 -13.403 -3.375 -32.064 1.00 0.00 H ATOM 919 N ALA B 6 -17.627 -3.226 -31.599 1.00 36.39 N ATOM 920 CA ALA B 6 -18.613 -2.581 -30.747 1.00 37.53 C ATOM 921 C ALA B 6 -19.239 -3.595 -29.798 1.00 43.45 C ATOM 922 O ALA B 6 -19.736 -4.630 -30.225 1.00 39.56 O ATOM 923 CB ALA B 6 -19.680 -1.916 -31.589 1.00 40.76 C ATOM 924 H ALA B 6 -17.930 -3.617 -32.514 1.00 0.00 H ATOM 925 N VAL B 7 -19.201 -3.296 -28.503 1.00 35.47 N ATOM 926 CA VAL B 7 -19.846 -4.130 -27.500 1.00 36.82 C ATOM 927 C VAL B 7 -20.696 -3.210 -26.639 1.00 37.56 C ATOM 928 O VAL B 7 -20.163 -2.421 -25.877 1.00 34.13 O ATOM 929 CB VAL B 7 -18.835 -4.899 -26.637 1.00 45.78 C ATOM 930 CG1 VAL B 7 -19.560 -5.735 -25.577 1.00 43.43 C ATOM 931 CG2 VAL B 7 -17.945 -5.772 -27.506 1.00 46.09 C ATOM 932 H VAL B 7 -18.695 -2.440 -28.198 1.00 0.00 H ATOM 933 N ILE B 8 -22.011 -3.309 -26.778 1.00 38.50 N ATOM 934 CA ILE B 8 -22.934 -2.484 -26.017 1.00 33.64 C ATOM 935 C ILE B 8 -23.179 -3.173 -24.686 1.00 42.60 C ATOM 936 O ILE B 8 -23.633 -4.313 -24.642 1.00 41.06 O ATOM 937 CB ILE B 8 -24.232 -2.243 -26.799 1.00 45.73 C ATOM 938 CG1 ILE B 8 -23.934 -1.402 -28.052 1.00 40.93 C ATOM 939 CG2 ILE B 8 -25.266 -1.570 -25.918 1.00 43.96 C ATOM 940 CD1 ILE B 8 -25.152 -1.088 -28.911 1.00 58.66 C ATOM 941 H ILE B 8 -22.394 -4.000 -27.454 1.00 0.00 H ATOM 942 N LYS B 9 -22.880 -2.471 -23.597 1.00 35.23 N ATOM 943 CA LYS B 9 -22.891 -3.081 -22.265 1.00 36.74 C ATOM 944 C LYS B 9 -24.213 -2.842 -21.546 1.00 43.36 C ATOM 945 O LYS B 9 -24.713 -3.710 -20.841 1.00 46.95 O ATOM 946 CB LYS B 9 -21.734 -2.537 -21.411 1.00 38.51 C ATOM 947 CG LYS B 9 -20.333 -2.841 -21.954 1.00 47.26 C ATOM 948 CD LYS B 9 -19.869 -4.266 -21.667 1.00 59.79 C ATOM 949 CE LYS B 9 -18.434 -4.486 -22.149 1.00 64.63 C ATOM 950 NZ LYS B 9 -18.009 -5.910 -22.137 1.00 70.90 N ATOM 951 HZ1 LYS B 9 -18.070 -6.280 -21.167 1.00 0.00 H ATOM 952 HZ2 LYS B 9 -18.633 -6.462 -22.760 1.00 0.00 H ATOM 953 HZ3 LYS B 9 -17.028 -5.981 -22.476 1.00 0.00 H ATOM 954 H LYS B 9 -22.633 -1.465 -23.693 1.00 0.00 H ATOM 955 N ASN B 10 -24.765 -1.650 -21.717 1.00 31.94 N ATOM 956 CA ASN B 10 -26.027 -1.280 -21.082 1.00 37.89 C ATOM 957 C ASN B 10 -26.681 -0.219 -21.948 1.00 42.17 C ATOM 958 O ASN B 10 -26.044 0.753 -22.332 1.00 43.67 O ATOM 959 CB ASN B 10 -25.805 -0.768 -19.651 1.00 38.73 C ATOM 960 CG ASN B 10 -27.116 -0.539 -18.884 1.00 50.17 C ATOM 961 OD1 ASN B 10 -28.201 -0.864 -19.363 1.00 50.05 O ATOM 962 ND2 ASN B 10 -27.004 0.017 -17.679 1.00 52.64 N ATOM 963 HD22 ASN B 10 -26.067 0.277 -17.311 1.00 0.00 H ATOM 964 HD21 ASN B 10 -27.854 0.191 -17.106 1.00 0.00 H ATOM 965 H ASN B 10 -24.284 -0.955 -22.323 1.00 0.00 H ATOM 966 N ALA B 11 -27.949 -0.414 -22.271 1.00 40.90 N ATOM 967 CA ALA B 11 -28.644 0.537 -23.119 1.00 40.67 C ATOM 968 C ALA B 11 -30.088 0.676 -22.694 1.00 43.66 C ATOM 969 O ALA B 11 -30.765 -0.310 -22.418 1.00 49.25 O ATOM 970 CB ALA B 11 -28.567 0.113 -24.575 1.00 47.71 C ATOM 971 H ALA B 11 -28.450 -1.253 -21.915 1.00 0.00 H ATOM 972 N ASP B 12 -30.534 1.920 -22.620 1.00 39.05 N ATOM 973 CA ASP B 12 -31.944 2.236 -22.545 1.00 38.63 C ATOM 974 C ASP B 12 -32.182 3.224 -23.670 1.00 52.71 C ATOM 975 O ASP B 12 -32.135 4.435 -23.476 1.00 37.37 O ATOM 976 CB ASP B 12 -32.324 2.812 -21.186 1.00 41.24 C ATOM 977 CG ASP B 12 -33.775 3.214 -21.117 1.00 47.55 C ATOM 978 OD1 ASP B 12 -34.572 2.709 -21.937 1.00 51.92 O ATOM 979 OD2 ASP B 12 -34.122 4.049 -20.255 1.00 51.07 O ATOM 980 H ASP B 12 -29.845 2.699 -22.616 1.00 0.00 H ATOM 981 N MET B 13 -32.416 2.688 -24.862 1.00 43.45 N ATOM 982 CA MET B 13 -32.311 3.480 -26.075 1.00 43.25 C ATOM 983 C MET B 13 -32.797 2.675 -27.270 1.00 42.18 C ATOM 984 O MET B 13 -32.579 1.464 -27.338 1.00 46.28 O ATOM 985 CB MET B 13 -30.854 3.915 -26.271 1.00 46.94 C ATOM 986 CG MET B 13 -30.567 4.662 -27.545 1.00 47.30 C ATOM 987 SD MET B 13 -28.819 5.112 -27.677 1.00 37.78 S ATOM 988 CE MET B 13 -28.742 6.487 -26.525 1.00 37.96 C ATOM 989 H MET B 13 -32.679 1.684 -24.928 1.00 0.00 H ATOM 990 N SER B 14 -33.448 3.346 -28.213 1.00 53.44 N ATOM 991 CA SER B 14 -33.947 2.674 -29.409 1.00 50.30 C ATOM 992 C SER B 14 -32.787 2.040 -30.174 1.00 54.18 C ATOM 993 O SER B 14 -31.665 2.532 -30.136 1.00 43.27 O ATOM 994 CB SER B 14 -34.706 3.654 -30.304 1.00 51.08 C ATOM 995 OG SER B 14 -33.808 4.450 -31.053 1.00 52.02 O ATOM 996 HG SER B 14 -33.247 3.866 -31.622 1.00 0.00 H ATOM 997 H SER B 14 -33.605 4.368 -28.098 1.00 0.00 H ATOM 998 N GLU B 15 -33.060 0.941 -30.868 1.00 52.93 N ATOM 999 CA GLU B 15 -32.015 0.240 -31.603 1.00 56.75 C ATOM 1000 C GLU B 15 -31.409 1.134 -32.678 1.00 48.83 C ATOM 1001 O GLU B 15 -30.214 1.042 -32.968 1.00 51.59 O ATOM 1002 CB GLU B 15 -32.567 -1.041 -32.233 1.00 70.03 C ATOM 1003 CG GLU B 15 -32.950 -2.115 -31.220 1.00 87.23 C ATOM 1004 CD GLU B 15 -31.747 -2.680 -30.483 1.00 94.42 C ATOM 1005 OE1 GLU B 15 -30.607 -2.438 -30.935 1.00101.79 O ATOM 1006 OE2 GLU B 15 -31.943 -3.365 -29.455 1.00 90.47 O ATOM 1007 H GLU B 15 -34.033 0.575 -30.887 1.00 0.00 H ATOM 1008 N GLU B 16 -32.230 2.002 -33.264 1.00 51.63 N ATOM 1009 CA GLU B 16 -31.759 2.906 -34.311 1.00 52.98 C ATOM 1010 C GLU B 16 -30.747 3.893 -33.734 1.00 47.39 C ATOM 1011 O GLU B 16 -29.735 4.218 -34.351 1.00 41.10 O ATOM 1012 CB GLU B 16 -32.931 3.660 -34.944 1.00 71.85 C ATOM 1013 CG GLU B 16 -32.534 4.565 -36.105 1.00102.29 C ATOM 1014 CD GLU B 16 -33.730 5.038 -36.921 1.00117.46 C ATOM 1015 OE1 GLU B 16 -34.751 4.316 -36.971 1.00113.31 O ATOM 1016 OE2 GLU B 16 -33.646 6.137 -37.512 1.00119.16 O ATOM 1017 H GLU B 16 -33.227 2.038 -32.971 1.00 0.00 H ATOM 1018 N MET B 17 -31.026 4.367 -32.532 1.00 47.16 N ATOM 1019 CA MET B 17 -30.155 5.338 -31.888 1.00 46.72 C ATOM 1020 C MET B 17 -28.890 4.669 -31.373 1.00 41.60 C ATOM 1021 O MET B 17 -27.805 5.248 -31.434 1.00 39.35 O ATOM 1022 CB MET B 17 -30.887 6.040 -30.753 1.00 44.11 C ATOM 1023 CG MET B 17 -31.955 6.981 -31.247 1.00 42.32 C ATOM 1024 SD MET B 17 -32.751 7.972 -29.966 1.00 55.00 S ATOM 1025 CE MET B 17 -31.352 8.846 -29.280 1.00 52.23 C ATOM 1026 H MET B 17 -31.882 4.041 -32.039 1.00 0.00 H ATOM 1027 N GLN B 18 -29.018 3.443 -30.876 1.00 42.78 N ATOM 1028 CA GLN B 18 -27.844 2.718 -30.417 1.00 45.72 C ATOM 1029 C GLN B 18 -26.901 2.578 -31.601 1.00 43.24 C ATOM 1030 O GLN B 18 -25.697 2.755 -31.467 1.00 39.88 O ATOM 1031 CB GLN B 18 -28.191 1.342 -29.852 1.00 43.18 C ATOM 1032 CG GLN B 18 -28.942 1.367 -28.528 1.00 41.53 C ATOM 1033 CD GLN B 18 -29.241 -0.019 -28.010 1.00 49.00 C ATOM 1034 OE1 GLN B 18 -28.375 -0.887 -28.002 1.00 43.09 O ATOM 1035 NE2 GLN B 18 -30.478 -0.237 -27.573 1.00 51.89 N ATOM 1036 HE22 GLN B 18 -31.181 0.529 -27.598 1.00 0.00 H ATOM 1037 HE21 GLN B 18 -30.742 -1.173 -27.206 1.00 0.00 H ATOM 1038 H GLN B 18 -29.958 3.002 -30.815 1.00 0.00 H ATOM 1039 N GLN B 19 -27.449 2.266 -32.771 1.00 44.46 N ATOM 1040 CA GLN B 19 -26.611 2.089 -33.951 1.00 41.00 C ATOM 1041 C GLN B 19 -25.941 3.397 -34.369 1.00 37.20 C ATOM 1042 O GLN B 19 -24.806 3.402 -34.845 1.00 36.07 O ATOM 1043 CB GLN B 19 -27.432 1.551 -35.126 1.00 46.10 C ATOM 1044 CG GLN B 19 -26.596 1.375 -36.380 1.00 53.29 C ATOM 1045 CD GLN B 19 -25.482 0.374 -36.173 1.00 67.21 C ATOM 1046 OE1 GLN B 19 -25.740 -0.795 -35.892 1.00 83.24 O ATOM 1047 NE2 GLN B 19 -24.236 0.829 -36.287 1.00 57.24 N ATOM 1048 HE22 GLN B 19 -24.067 1.827 -36.527 1.00 0.00 H ATOM 1049 HE21 GLN B 19 -23.432 0.187 -36.136 1.00 0.00 H ATOM 1050 H GLN B 19 -28.480 2.148 -32.845 1.00 0.00 H ATOM 1051 N ASP B 20 -26.658 4.501 -34.213 1.00 38.59 N ATOM 1052 CA ASP B 20 -26.101 5.797 -34.556 1.00 36.96 C ATOM 1053 C ASP B 20 -24.975 6.140 -33.600 1.00 37.92 C ATOM 1054 O ASP B 20 -23.958 6.690 -34.003 1.00 41.24 O ATOM 1055 CB ASP B 20 -27.163 6.888 -34.508 1.00 42.52 C ATOM 1056 CG ASP B 20 -27.343 7.576 -35.839 1.00 78.86 C ATOM 1057 OD1 ASP B 20 -27.350 6.882 -36.879 1.00 79.81 O ATOM 1058 OD2 ASP B 20 -27.469 8.814 -35.837 1.00 86.52 O ATOM 1059 H ASP B 20 -27.627 4.438 -33.842 1.00 0.00 H ATOM 1060 N ALA B 21 -25.156 5.815 -32.326 1.00 36.94 N ATOM 1061 CA ALA B 21 -24.136 6.134 -31.340 1.00 28.33 C ATOM 1062 C ALA B 21 -22.856 5.408 -31.704 1.00 30.80 C ATOM 1063 O ALA B 21 -21.764 5.967 -31.638 1.00 37.77 O ATOM 1064 CB ALA B 21 -24.604 5.747 -29.918 1.00 31.35 C ATOM 1065 H ALA B 21 -26.029 5.331 -32.032 1.00 0.00 H ATOM 1066 N VAL B 22 -22.992 4.153 -32.102 1.00 34.18 N ATOM 1067 CA VAL B 22 -21.837 3.353 -32.480 1.00 31.46 C ATOM 1068 C VAL B 22 -21.181 3.917 -33.744 1.00 37.72 C ATOM 1069 O VAL B 22 -19.952 3.943 -33.856 1.00 38.74 O ATOM 1070 CB VAL B 22 -22.239 1.889 -32.663 1.00 41.54 C ATOM 1071 CG1 VAL B 22 -21.072 1.055 -33.170 1.00 51.94 C ATOM 1072 CG2 VAL B 22 -22.759 1.328 -31.332 1.00 40.98 C ATOM 1073 H VAL B 22 -23.942 3.731 -32.145 1.00 0.00 H ATOM 1074 N ASP B 23 -21.995 4.368 -34.692 1.00 43.55 N ATOM 1075 CA ASP B 23 -21.464 4.947 -35.925 1.00 40.62 C ATOM 1076 C ASP B 23 -20.740 6.238 -35.613 1.00 40.79 C ATOM 1077 O ASP B 23 -19.637 6.480 -36.098 1.00 37.13 O ATOM 1078 CB ASP B 23 -22.580 5.222 -36.942 1.00 50.17 C ATOM 1079 CG ASP B 23 -23.221 3.959 -37.457 1.00 65.57 C ATOM 1080 OD1 ASP B 23 -22.589 2.885 -37.342 1.00 84.47 O ATOM 1081 OD2 ASP B 23 -24.353 4.043 -37.979 1.00 70.55 O ATOM 1082 H ASP B 23 -23.024 4.308 -34.555 1.00 0.00 H ATOM 1083 N CYS B 24 -21.387 7.066 -34.804 1.00 42.61 N ATOM 1084 CA CYS B 24 -20.838 8.346 -34.418 1.00 39.80 C ATOM 1085 C CYS B 24 -19.504 8.174 -33.692 1.00 35.90 C ATOM 1086 O CYS B 24 -18.550 8.905 -33.936 1.00 36.75 O ATOM 1087 CB CYS B 24 -21.838 9.079 -33.538 1.00 42.94 C ATOM 1088 SG CYS B 24 -21.345 10.733 -33.157 1.00 33.46 S ATOM 1089 H CYS B 24 -22.318 6.786 -34.436 1.00 0.00 H ATOM 1090 N ALA B 25 -19.446 7.204 -32.791 1.00 35.16 N ATOM 1091 CA ALA B 25 -18.219 6.964 -32.052 1.00 30.22 C ATOM 1092 C ALA B 25 -17.126 6.453 -33.002 1.00 38.65 C ATOM 1093 O ALA B 25 -15.954 6.807 -32.872 1.00 33.45 O ATOM 1094 CB ALA B 25 -18.478 5.987 -30.915 1.00 34.35 C ATOM 1095 H ALA B 25 -20.282 6.612 -32.612 1.00 0.00 H ATOM 1096 N THR B 26 -17.516 5.637 -33.975 1.00 38.21 N ATOM 1097 CA THR B 26 -16.583 5.184 -35.000 1.00 38.69 C ATOM 1098 C THR B 26 -15.995 6.376 -35.770 1.00 39.43 C ATOM 1099 O THR B 26 -14.783 6.452 -35.966 1.00 40.64 O ATOM 1100 CB THR B 26 -17.265 4.216 -35.981 1.00 46.01 C ATOM 1101 OG1 THR B 26 -17.633 3.019 -35.287 1.00 44.31 O ATOM 1102 CG2 THR B 26 -16.335 3.856 -37.137 1.00 50.05 C ATOM 1103 HG1 THR B 26 -18.259 3.243 -34.553 1.00 0.00 H ATOM 1104 H THR B 26 -18.505 5.315 -34.006 1.00 0.00 H ATOM 1105 N GLN B 27 -16.849 7.304 -36.188 1.00 34.51 N ATOM 1106 CA GLN B 27 -16.383 8.505 -36.865 1.00 38.47 C ATOM 1107 C GLN B 27 -15.430 9.256 -35.959 1.00 40.21 C ATOM 1108 O GLN B 27 -14.381 9.720 -36.390 1.00 38.49 O ATOM 1109 CB GLN B 27 -17.548 9.419 -37.250 1.00 61.00 C ATOM 1110 CG GLN B 27 -18.409 8.926 -38.403 1.00 65.50 C ATOM 1111 CD GLN B 27 -19.844 9.433 -38.294 1.00 83.24 C ATOM 1112 OE1 GLN B 27 -20.118 10.429 -37.611 1.00 89.22 O ATOM 1113 NE2 GLN B 27 -20.768 8.739 -38.950 1.00 89.43 N ATOM 1114 HE22 GLN B 27 -20.493 7.908 -39.512 1.00 0.00 H ATOM 1115 HE21 GLN B 27 -21.766 9.026 -38.901 1.00 0.00 H ATOM 1116 H GLN B 27 -17.868 7.170 -36.029 1.00 0.00 H ATOM 1117 N ALA B 28 -15.799 9.383 -34.688 1.00 33.71 N ATOM 1118 CA ALA B 28 -15.001 10.155 -33.751 1.00 27.76 C ATOM 1119 C ALA B 28 -13.613 9.581 -33.585 1.00 31.80 C ATOM 1120 O ALA B 28 -12.639 10.321 -33.499 1.00 37.56 O ATOM 1121 CB ALA B 28 -15.710 10.222 -32.388 1.00 26.45 C ATOM 1122 H ALA B 28 -16.672 8.923 -34.360 1.00 0.00 H ATOM 1123 N LEU B 29 -13.519 8.261 -33.527 1.00 37.25 N ATOM 1124 CA LEU B 29 -12.234 7.624 -33.311 1.00 32.65 C ATOM 1125 C LEU B 29 -11.370 7.688 -34.567 1.00 43.02 C ATOM 1126 O LEU B 29 -10.146 7.573 -34.488 1.00 46.11 O ATOM 1127 CB LEU B 29 -12.414 6.174 -32.878 1.00 38.55 C ATOM 1128 CG LEU B 29 -12.889 5.991 -31.438 1.00 47.42 C ATOM 1129 CD1 LEU B 29 -13.243 4.555 -31.181 1.00 59.75 C ATOM 1130 CD2 LEU B 29 -11.813 6.440 -30.491 1.00 63.80 C ATOM 1131 H LEU B 29 -14.373 7.677 -33.637 1.00 0.00 H ATOM 1132 N GLU B 30 -12.003 7.872 -35.719 1.00 45.84 N ATOM 1133 CA GLU B 30 -11.256 8.002 -36.965 1.00 49.52 C ATOM 1134 C GLU B 30 -10.574 9.359 -37.001 1.00 50.91 C ATOM 1135 O GLU B 30 -9.415 9.465 -37.394 1.00 50.17 O ATOM 1136 CB GLU B 30 -12.176 7.832 -38.180 1.00 51.68 C ATOM 1137 CG GLU B 30 -12.578 6.395 -38.445 1.00 60.05 C ATOM 1138 CD GLU B 30 -13.649 6.276 -39.514 1.00 86.24 C ATOM 1139 OE1 GLU B 30 -14.107 7.325 -40.034 1.00 87.98 O ATOM 1140 OE2 GLU B 30 -14.038 5.128 -39.827 1.00 87.91 O ATOM 1141 H GLU B 30 -13.042 7.924 -35.733 1.00 0.00 H ATOM 1142 N LYS B 31 -11.306 10.384 -36.575 1.00 37.46 N ATOM 1143 CA LYS B 31 -10.847 11.760 -36.645 1.00 39.64 C ATOM 1144 C LYS B 31 -9.932 12.167 -35.484 1.00 37.71 C ATOM 1145 O LYS B 31 -8.948 12.873 -35.691 1.00 34.24 O ATOM 1146 CB LYS B 31 -12.069 12.679 -36.700 1.00 41.04 C ATOM 1147 CG LYS B 31 -11.766 14.168 -36.723 1.00 54.30 C ATOM 1148 CD LYS B 31 -13.047 14.963 -36.901 1.00 51.55 C ATOM 1149 CE LYS B 31 -12.827 16.456 -36.727 1.00 66.37 C ATOM 1150 NZ LYS B 31 -12.604 17.168 -38.014 1.00 75.66 N ATOM 1151 HZ1 LYS B 31 -11.762 16.778 -38.483 1.00 0.00 H ATOM 1152 HZ2 LYS B 31 -13.434 17.041 -38.627 1.00 0.00 H ATOM 1153 HZ3 LYS B 31 -12.461 18.181 -37.828 1.00 0.00 H ATOM 1154 H LYS B 31 -12.247 10.192 -36.175 1.00 0.00 H ATOM 1155 N TYR B 32 -10.240 11.705 -34.274 1.00 32.14 N ATOM 1156 CA TYR B 32 -9.575 12.203 -33.060 1.00 37.74 C ATOM 1157 C TYR B 32 -8.881 11.105 -32.238 1.00 34.14 C ATOM 1158 O TYR B 32 -9.306 9.946 -32.255 1.00 36.63 O ATOM 1159 CB TYR B 32 -10.588 12.891 -32.151 1.00 42.43 C ATOM 1160 CG TYR B 32 -11.300 14.113 -32.688 1.00 35.66 C ATOM 1161 CD1 TYR B 32 -10.699 15.365 -32.666 1.00 52.61 C ATOM 1162 CD2 TYR B 32 -12.603 14.027 -33.148 1.00 42.72 C ATOM 1163 CE1 TYR B 32 -11.377 16.499 -33.123 1.00 45.17 C ATOM 1164 CE2 TYR B 32 -13.279 15.141 -33.610 1.00 64.09 C ATOM 1165 CZ TYR B 32 -12.664 16.376 -33.589 1.00 67.01 C ATOM 1166 OH TYR B 32 -13.338 17.489 -34.049 1.00 75.21 O ATOM 1167 HH TYR B 32 -14.160 17.621 -33.513 1.00 0.00 H ATOM 1168 H TYR B 32 -10.972 10.971 -34.184 1.00 0.00 H ATOM 1169 N ASN B 33 -7.840 11.474 -31.487 1.00 32.54 N ATOM 1170 CA ASN B 33 -7.152 10.523 -30.619 1.00 37.50 C ATOM 1171 C ASN B 33 -7.356 10.815 -29.138 1.00 31.93 C ATOM 1172 O ASN B 33 -7.114 9.942 -28.314 1.00 37.99 O ATOM 1173 CB ASN B 33 -5.650 10.516 -30.887 1.00 31.13 C ATOM 1174 CG ASN B 33 -5.311 10.043 -32.279 1.00 44.93 C ATOM 1175 OD1 ASN B 33 -5.834 9.030 -32.747 1.00 45.03 O ATOM 1176 ND2 ASN B 33 -4.442 10.782 -32.955 1.00 53.17 N ATOM 1177 HD22 ASN B 33 -4.027 11.629 -32.516 1.00 0.00 H ATOM 1178 HD21 ASN B 33 -4.175 10.515 -33.924 1.00 0.00 H ATOM 1179 H ASN B 33 -7.512 12.460 -31.521 1.00 0.00 H ATOM 1180 N ILE B 34 -7.761 12.037 -28.809 1.00 29.51 N ATOM 1181 CA ILE B 34 -7.852 12.450 -27.411 1.00 30.63 C ATOM 1182 C ILE B 34 -9.277 12.218 -26.915 1.00 26.64 C ATOM 1183 O ILE B 34 -10.246 12.575 -27.569 1.00 25.08 O ATOM 1184 CB ILE B 34 -7.414 13.919 -27.240 1.00 36.48 C ATOM 1185 CG1 ILE B 34 -6.043 14.154 -27.897 1.00 36.90 C ATOM 1186 CG2 ILE B 34 -7.348 14.301 -25.775 1.00 33.58 C ATOM 1187 CD1 ILE B 34 -4.929 13.229 -27.406 1.00 26.80 C ATOM 1188 H ILE B 34 -8.017 12.710 -29.559 1.00 0.00 H ATOM 1189 N GLU B 35 -9.403 11.621 -25.733 1.00 29.31 N ATOM 1190 CA GLU B 35 -10.714 11.202 -25.262 1.00 26.84 C ATOM 1191 C GLU B 35 -11.737 12.328 -25.190 1.00 24.49 C ATOM 1192 O GLU B 35 -12.890 12.128 -25.555 1.00 25.37 O ATOM 1193 CB GLU B 35 -10.557 10.514 -23.900 1.00 23.25 C ATOM 1194 CG GLU B 35 -9.838 9.200 -24.037 1.00 24.22 C ATOM 1195 CD GLU B 35 -9.441 8.581 -22.724 1.00 28.05 C ATOM 1196 OE1 GLU B 35 -9.343 9.316 -21.710 1.00 28.51 O ATOM 1197 OE2 GLU B 35 -9.193 7.353 -22.727 1.00 28.28 O ATOM 1198 H GLU B 35 -8.562 11.453 -25.144 1.00 0.00 H ATOM 1199 N LYS B 36 -11.347 13.507 -24.727 1.00 23.13 N ATOM 1200 CA LYS B 36 -12.308 14.601 -24.606 1.00 24.03 C ATOM 1201 C LYS B 36 -12.779 15.092 -25.971 1.00 28.17 C ATOM 1202 O LYS B 36 -13.887 15.607 -26.106 1.00 26.95 O ATOM 1203 CB LYS B 36 -11.716 15.778 -23.836 1.00 27.73 C ATOM 1204 CG LYS B 36 -10.447 16.357 -24.435 1.00 29.77 C ATOM 1205 CD LYS B 36 -10.139 17.705 -23.808 1.00 34.68 C ATOM 1206 CE LYS B 36 -8.764 18.212 -24.216 1.00 57.90 C ATOM 1207 NZ LYS B 36 -8.386 19.411 -23.428 1.00 72.89 N ATOM 1208 HZ1 LYS B 36 -9.083 20.165 -23.591 1.00 0.00 H ATOM 1209 HZ2 LYS B 36 -8.367 19.168 -22.417 1.00 0.00 H ATOM 1210 HZ3 LYS B 36 -7.444 19.737 -23.725 1.00 0.00 H ATOM 1211 H LYS B 36 -10.356 13.654 -24.449 1.00 0.00 H ATOM 1212 N ASP B 37 -11.929 14.953 -26.976 1.00 26.34 N ATOM 1213 CA ASP B 37 -12.307 15.398 -28.327 1.00 22.57 C ATOM 1214 C ASP B 37 -13.271 14.394 -28.944 1.00 30.45 C ATOM 1215 O ASP B 37 -14.219 14.761 -29.657 1.00 32.24 O ATOM 1216 CB ASP B 37 -11.078 15.566 -29.203 1.00 28.24 C ATOM 1217 CG ASP B 37 -10.165 16.679 -28.730 1.00 37.87 C ATOM 1218 OD1 ASP B 37 -10.667 17.685 -28.186 1.00 41.90 O ATOM 1219 OD2 ASP B 37 -8.937 16.547 -28.915 1.00 42.77 O ATOM 1220 H ASP B 37 -10.994 14.529 -26.811 1.00 0.00 H ATOM 1221 N ILE B 38 -13.018 13.123 -28.671 1.00 27.60 N ATOM 1222 CA ILE B 38 -13.919 12.047 -29.085 1.00 28.76 C ATOM 1223 C ILE B 38 -15.277 12.258 -28.424 1.00 31.57 C ATOM 1224 O ILE B 38 -16.316 12.252 -29.065 1.00 25.89 O ATOM 1225 CB ILE B 38 -13.304 10.685 -28.738 1.00 32.73 C ATOM 1226 CG1 ILE B 38 -12.019 10.494 -29.533 1.00 29.44 C ATOM 1227 CG2 ILE B 38 -14.266 9.544 -29.016 1.00 31.76 C ATOM 1228 CD1 ILE B 38 -11.119 9.444 -28.971 1.00 27.64 C ATOM 1229 H ILE B 38 -12.153 12.882 -28.147 1.00 0.00 H ATOM 1230 N ALA B 39 -15.277 12.454 -27.115 1.00 26.60 N ATOM 1231 CA ALA B 39 -16.523 12.705 -26.421 1.00 22.40 C ATOM 1232 C ALA B 39 -17.249 13.945 -26.936 1.00 23.89 C ATOM 1233 O ALA B 39 -18.476 13.947 -27.049 1.00 27.64 O ATOM 1234 CB ALA B 39 -16.252 12.827 -24.891 1.00 23.49 C ATOM 1235 H ALA B 39 -14.383 12.428 -26.585 1.00 0.00 H ATOM 1236 N ALA B 40 -16.515 15.006 -27.248 1.00 26.21 N ATOM 1237 CA ALA B 40 -17.162 16.236 -27.687 1.00 27.85 C ATOM 1238 C ALA B 40 -17.857 16.036 -29.055 1.00 32.60 C ATOM 1239 O ALA B 40 -18.950 16.546 -29.288 1.00 31.40 O ATOM 1240 CB ALA B 40 -16.149 17.374 -27.764 1.00 33.41 C ATOM 1241 H ALA B 40 -15.478 14.960 -27.179 1.00 0.00 H ATOM 1242 N TYR B 41 -17.219 15.276 -29.933 1.00 32.55 N ATOM 1243 CA TYR B 41 -17.760 14.995 -31.265 1.00 33.62 C ATOM 1244 C TYR B 41 -19.066 14.202 -31.171 1.00 34.09 C ATOM 1245 O TYR B 41 -20.054 14.523 -31.837 1.00 33.04 O ATOM 1246 CB TYR B 41 -16.710 14.239 -32.088 1.00 29.30 C ATOM 1247 CG TYR B 41 -17.159 13.805 -33.473 1.00 36.25 C ATOM 1248 CD1 TYR B 41 -17.803 12.592 -33.669 1.00 36.94 C ATOM 1249 CD2 TYR B 41 -16.910 14.597 -34.580 1.00 44.90 C ATOM 1250 CE1 TYR B 41 -18.209 12.191 -34.931 1.00 38.23 C ATOM 1251 CE2 TYR B 41 -17.306 14.204 -35.832 1.00 46.65 C ATOM 1252 CZ TYR B 41 -17.955 13.001 -36.005 1.00 58.83 C ATOM 1253 OH TYR B 41 -18.355 12.603 -37.263 1.00 64.84 O ATOM 1254 HH TYR B 41 -18.802 11.722 -37.203 1.00 0.00 H ATOM 1255 H TYR B 41 -16.302 14.864 -29.667 1.00 0.00 H ATOM 1256 N ILE B 42 -19.079 13.177 -30.323 1.00 33.95 N ATOM 1257 CA ILE B 42 -20.273 12.351 -30.141 1.00 33.96 C ATOM 1258 C ILE B 42 -21.401 13.176 -29.543 1.00 37.44 C ATOM 1259 O ILE B 42 -22.533 13.144 -30.024 1.00 31.02 O ATOM 1260 CB ILE B 42 -19.977 11.129 -29.262 1.00 34.42 C ATOM 1261 CG1 ILE B 42 -18.901 10.272 -29.913 1.00 31.21 C ATOM 1262 CG2 ILE B 42 -21.253 10.321 -29.016 1.00 28.78 C ATOM 1263 CD1 ILE B 42 -18.316 9.200 -29.045 1.00 27.78 C ATOM 1264 H ILE B 42 -18.221 12.958 -29.777 1.00 0.00 H ATOM 1265 N LYS B 43 -21.100 13.900 -28.474 1.00 30.92 N ATOM 1266 CA LYS B 43 -22.109 14.700 -27.805 1.00 29.37 C ATOM 1267 C LYS B 43 -22.754 15.673 -28.795 1.00 30.48 C ATOM 1268 O LYS B 43 -23.968 15.837 -28.833 1.00 36.71 O ATOM 1269 CB LYS B 43 -21.485 15.448 -26.626 1.00 34.45 C ATOM 1270 CG LYS B 43 -22.454 16.299 -25.832 1.00 35.63 C ATOM 1271 CD LYS B 43 -22.645 17.665 -26.445 1.00 42.63 C ATOM 1272 CE LYS B 43 -22.858 18.736 -25.402 1.00 36.53 C ATOM 1273 NZ LYS B 43 -24.240 18.751 -24.841 1.00 36.32 N ATOM 1274 HZ1 LYS B 43 -24.922 18.921 -25.607 1.00 0.00 H ATOM 1275 HZ2 LYS B 43 -24.441 17.834 -24.393 1.00 0.00 H ATOM 1276 HZ3 LYS B 43 -24.317 19.508 -24.133 1.00 0.00 H ATOM 1277 H LYS B 43 -20.126 13.895 -28.109 1.00 0.00 H ATOM 1278 N LYS B 44 -21.930 16.320 -29.598 1.00 33.43 N ATOM 1279 CA LYS B 44 -22.432 17.340 -30.517 1.00 34.91 C ATOM 1280 C LYS B 44 -23.292 16.725 -31.622 1.00 38.15 C ATOM 1281 O LYS B 44 -24.336 17.273 -31.969 1.00 43.05 O ATOM 1282 CB LYS B 44 -21.270 18.128 -31.113 1.00 33.69 C ATOM 1283 CG LYS B 44 -20.633 19.111 -30.126 1.00 35.69 C ATOM 1284 CD LYS B 44 -19.303 19.617 -30.653 1.00 41.89 C ATOM 1285 CE LYS B 44 -18.715 20.694 -29.743 1.00 57.09 C ATOM 1286 NZ LYS B 44 -17.317 21.015 -30.124 1.00 66.66 N ATOM 1287 HZ1 LYS B 44 -16.732 20.159 -30.046 1.00 0.00 H ATOM 1288 HZ2 LYS B 44 -17.297 21.361 -31.104 1.00 0.00 H ATOM 1289 HZ3 LYS B 44 -16.946 21.749 -29.488 1.00 0.00 H ATOM 1290 H LYS B 44 -20.913 16.102 -29.577 1.00 0.00 H ATOM 1291 N GLU B 45 -22.864 15.589 -32.164 1.00 40.28 N ATOM 1292 CA GLU B 45 -23.668 14.896 -33.169 1.00 45.36 C ATOM 1293 C GLU B 45 -25.027 14.528 -32.601 1.00 40.86 C ATOM 1294 O GLU B 45 -26.038 14.671 -33.269 1.00 42.78 O ATOM 1295 CB GLU B 45 -22.974 13.630 -33.667 1.00 43.36 C ATOM 1296 CG GLU B 45 -21.712 13.881 -34.457 1.00 69.95 C ATOM 1297 CD GLU B 45 -22.006 14.293 -35.869 1.00 79.99 C ATOM 1298 OE1 GLU B 45 -22.869 13.636 -36.495 1.00 70.75 O ATOM 1299 OE2 GLU B 45 -21.383 15.274 -36.339 1.00 71.41 O ATOM 1300 H GLU B 45 -21.950 15.190 -31.871 1.00 0.00 H ATOM 1301 N PHE B 46 -25.066 14.048 -31.360 1.00 34.57 N ATOM 1302 CA PHE B 46 -26.341 13.616 -30.805 1.00 35.37 C ATOM 1303 C PHE B 46 -27.221 14.794 -30.429 1.00 37.63 C ATOM 1304 O PHE B 46 -28.446 14.708 -30.545 1.00 36.39 O ATOM 1305 CB PHE B 46 -26.123 12.688 -29.608 1.00 34.76 C ATOM 1306 CG PHE B 46 -26.271 11.249 -29.962 1.00 37.01 C ATOM 1307 CD1 PHE B 46 -25.478 10.687 -30.943 1.00 43.23 C ATOM 1308 CD2 PHE B 46 -27.228 10.470 -29.355 1.00 34.13 C ATOM 1309 CE1 PHE B 46 -25.623 9.364 -31.298 1.00 37.89 C ATOM 1310 CE2 PHE B 46 -27.380 9.135 -29.712 1.00 44.43 C ATOM 1311 CZ PHE B 46 -26.575 8.587 -30.676 1.00 37.16 C ATOM 1312 H PHE B 46 -24.196 13.982 -30.794 1.00 0.00 H ATOM 1313 N ASP B 47 -26.614 15.895 -30.002 1.00 34.47 N ATOM 1314 CA ASP B 47 -27.379 17.111 -29.752 1.00 41.32 C ATOM 1315 C ASP B 47 -28.114 17.509 -31.036 1.00 47.43 C ATOM 1316 O ASP B 47 -29.257 17.971 -31.008 1.00 48.92 O ATOM 1317 CB ASP B 47 -26.479 18.254 -29.300 1.00 54.48 C ATOM 1318 CG ASP B 47 -26.223 18.239 -27.815 1.00 39.56 C ATOM 1319 OD1 ASP B 47 -26.788 17.364 -27.116 1.00 36.99 O ATOM 1320 OD2 ASP B 47 -25.488 19.136 -27.345 1.00 41.94 O ATOM 1321 H ASP B 47 -25.586 15.890 -29.845 1.00 0.00 H ATOM 1322 N LYS B 48 -27.439 17.321 -32.161 1.00 38.62 N ATOM 1323 CA LYS B 48 -27.983 17.725 -33.467 1.00 48.37 C ATOM 1324 C LYS B 48 -28.997 16.716 -33.977 1.00 57.69 C ATOM 1325 O LYS B 48 -30.157 17.055 -34.218 1.00 66.12 O ATOM 1326 CB LYS B 48 -26.861 17.885 -34.494 1.00 56.86 C ATOM 1327 CG LYS B 48 -26.166 19.250 -34.484 1.00 84.01 C ATOM 1328 CD LYS B 48 -25.100 19.347 -35.586 1.00103.90 C ATOM 1329 CE LYS B 48 -23.952 18.348 -35.380 1.00113.68 C ATOM 1330 NZ LYS B 48 -22.621 19.005 -35.199 1.00114.64 N ATOM 1331 HZ1 LYS B 48 -22.397 19.570 -36.043 1.00 0.00 H ATOM 1332 HZ2 LYS B 48 -22.652 19.624 -34.364 1.00 0.00 H ATOM 1333 HZ3 LYS B 48 -21.891 18.276 -35.065 1.00 0.00 H ATOM 1334 H LYS B 48 -26.500 16.876 -32.120 1.00 0.00 H ATOM 1335 N LYS B 49 -28.543 15.478 -34.148 1.00 45.89 N ATOM 1336 CA LYS B 49 -29.382 14.398 -34.662 1.00 50.24 C ATOM 1337 C LYS B 49 -30.605 14.122 -33.777 1.00 48.47 C ATOM 1338 O LYS B 49 -31.681 13.779 -34.279 1.00 47.69 O ATOM 1339 CB LYS B 49 -28.566 13.105 -34.801 1.00 42.38 C ATOM 1340 CG LYS B 49 -27.546 13.070 -35.936 1.00 52.43 C ATOM 1341 CD LYS B 49 -26.741 11.780 -35.840 1.00 68.10 C ATOM 1342 CE LYS B 49 -25.534 11.736 -36.767 1.00 68.84 C ATOM 1343 NZ LYS B 49 -25.853 11.154 -38.097 1.00 86.40 N ATOM 1344 HZ1 LYS B 49 -26.197 10.180 -37.974 1.00 0.00 H ATOM 1345 HZ2 LYS B 49 -26.588 11.727 -38.558 1.00 0.00 H ATOM 1346 HZ3 LYS B 49 -24.996 11.149 -38.686 1.00 0.00 H ATOM 1347 H LYS B 49 -27.553 15.271 -33.907 1.00 0.00 H ATOM 1348 N TYR B 50 -30.446 14.258 -32.464 1.00 43.97 N ATOM 1349 CA TYR B 50 -31.471 13.777 -31.541 1.00 43.42 C ATOM 1350 C TYR B 50 -31.874 14.774 -30.464 1.00 52.51 C ATOM 1351 O TYR B 50 -32.467 14.388 -29.462 1.00 54.10 O ATOM 1352 CB TYR B 50 -30.990 12.487 -30.885 1.00 41.04 C ATOM 1353 CG TYR B 50 -30.850 11.350 -31.861 1.00 43.22 C ATOM 1354 CD1 TYR B 50 -31.971 10.743 -32.407 1.00 46.46 C ATOM 1355 CD2 TYR B 50 -29.603 10.888 -32.250 1.00 45.10 C ATOM 1356 CE1 TYR B 50 -31.853 9.708 -33.305 1.00 53.69 C ATOM 1357 CE2 TYR B 50 -29.474 9.844 -33.152 1.00 65.17 C ATOM 1358 CZ TYR B 50 -30.603 9.261 -33.680 1.00 54.09 C ATOM 1359 OH TYR B 50 -30.487 8.219 -34.573 1.00 67.17 O ATOM 1360 HH TYR B 50 -29.980 8.522 -35.367 1.00 0.00 H ATOM 1361 H TYR B 50 -29.586 14.710 -32.092 1.00 0.00 H ATOM 1362 N ASN B 51 -31.555 16.046 -30.682 1.00 44.94 N ATOM 1363 CA ASN B 51 -31.958 17.141 -29.799 1.00 43.08 C ATOM 1364 C ASN B 51 -31.118 17.169 -28.519 1.00 54.90 C ATOM 1365 O ASN B 51 -30.721 16.121 -28.015 1.00 50.64 O ATOM 1366 CB ASN B 51 -33.446 17.049 -29.427 1.00 58.95 C ATOM 1367 CG ASN B 51 -34.361 17.119 -30.636 1.00 77.74 C ATOM 1368 OD1 ASN B 51 -34.010 17.699 -31.663 1.00 81.05 O ATOM 1369 ND2 ASN B 51 -35.551 16.537 -30.512 1.00 84.30 N ATOM 1370 HD22 ASN B 51 -35.806 16.058 -29.625 1.00 0.00 H ATOM 1371 HD21 ASN B 51 -36.227 16.561 -31.302 1.00 0.00 H ATOM 1372 H ASN B 51 -30.989 16.275 -31.524 1.00 0.00 H ATOM 1373 N PRO B 52 -30.833 18.373 -27.994 1.00 53.03 N ATOM 1374 CA PRO B 52 -30.158 18.485 -26.692 1.00 46.77 C ATOM 1375 C PRO B 52 -31.003 17.925 -25.543 1.00 46.59 C ATOM 1376 O PRO B 52 -32.203 17.760 -25.742 1.00 56.96 O ATOM 1377 CB PRO B 52 -29.955 19.992 -26.530 1.00 57.69 C ATOM 1378 CG PRO B 52 -30.010 20.545 -27.904 1.00 61.83 C ATOM 1379 CD PRO B 52 -30.937 19.672 -28.679 1.00 52.20 C ATOM 1380 N THR B 53 -30.431 17.647 -24.370 1.00 46.95 N ATOM 1381 CA THR B 53 -29.026 17.881 -24.042 1.00 56.76 C ATOM 1382 C THR B 53 -28.326 16.563 -23.711 1.00 33.24 C ATOM 1383 O THR B 53 -28.741 15.858 -22.789 1.00 38.02 O ATOM 1384 CB THR B 53 -28.897 18.837 -22.838 1.00 43.08 C ATOM 1385 OG1 THR B 53 -29.422 20.122 -23.190 1.00 54.56 O ATOM 1386 CG2 THR B 53 -27.439 18.982 -22.390 1.00 41.22 C ATOM 1387 HG1 THR B 53 -28.913 20.486 -23.957 1.00 0.00 H ATOM 1388 H THR B 53 -31.032 17.231 -23.631 1.00 0.00 H ATOM 1389 N TRP B 54 -27.266 16.244 -24.451 1.00 33.77 N ATOM 1390 CA TRP B 54 -26.495 15.021 -24.211 1.00 36.91 C ATOM 1391 C TRP B 54 -25.173 15.274 -23.505 1.00 26.34 C ATOM 1392 O TRP B 54 -24.638 16.382 -23.534 1.00 32.87 O ATOM 1393 CB TRP B 54 -26.205 14.300 -25.519 1.00 34.47 C ATOM 1394 CG TRP B 54 -27.421 13.843 -26.215 1.00 35.54 C ATOM 1395 CD1 TRP B 54 -28.246 14.595 -27.003 1.00 43.65 C ATOM 1396 CD2 TRP B 54 -27.979 12.528 -26.185 1.00 35.84 C ATOM 1397 NE1 TRP B 54 -29.286 13.826 -27.467 1.00 42.05 N ATOM 1398 CE2 TRP B 54 -29.143 12.551 -26.987 1.00 34.99 C ATOM 1399 CE3 TRP B 54 -27.609 11.328 -25.568 1.00 32.18 C ATOM 1400 CZ2 TRP B 54 -29.936 11.423 -27.179 1.00 39.20 C ATOM 1401 CZ3 TRP B 54 -28.397 10.203 -25.771 1.00 31.45 C ATOM 1402 CH2 TRP B 54 -29.549 10.262 -26.567 1.00 37.59 C ATOM 1403 HE1 TRP B 54 -30.056 14.158 -28.082 1.00 0.00 H ATOM 1404 H TRP B 54 -26.977 16.881 -25.221 1.00 0.00 H ATOM 1405 N HIS B 55 -24.651 14.209 -22.902 1.00 29.15 N ATOM 1406 CA HIS B 55 -23.397 14.228 -22.168 1.00 27.78 C ATOM 1407 C HIS B 55 -22.641 12.987 -22.571 1.00 22.96 C ATOM 1408 O HIS B 55 -23.232 11.920 -22.721 1.00 27.47 O ATOM 1409 CB HIS B 55 -23.642 14.240 -20.654 1.00 28.58 C ATOM 1410 CG HIS B 55 -24.687 15.211 -20.233 1.00 29.33 C ATOM 1411 ND1 HIS B 55 -24.400 16.531 -19.929 1.00 34.26 N ATOM 1412 CD2 HIS B 55 -26.023 15.081 -20.081 1.00 34.26 C ATOM 1413 CE1 HIS B 55 -25.509 17.156 -19.608 1.00 33.58 C ATOM 1414 NE2 HIS B 55 -26.517 16.295 -19.688 1.00 37.49 N ATOM 1415 H HIS B 55 -25.171 13.310 -22.959 1.00 0.00 H ATOM 1416 N CYS B 56 -21.332 13.108 -22.729 1.00 25.82 N ATOM 1417 CA CYS B 56 -20.542 11.987 -23.179 1.00 22.03 C ATOM 1418 C CYS B 56 -19.241 11.900 -22.402 1.00 21.55 C ATOM 1419 O CYS B 56 -18.535 12.897 -22.234 1.00 23.76 O ATOM 1420 CB CYS B 56 -20.241 12.098 -24.688 1.00 24.33 C ATOM 1421 SG CYS B 56 -19.555 10.614 -25.350 1.00 26.63 S ATOM 1422 H CYS B 56 -20.870 14.017 -22.527 1.00 0.00 H ATOM 1423 N ILE B 57 -18.954 10.696 -21.912 1.00 23.92 N ATOM 1424 CA ILE B 57 -17.685 10.378 -21.285 1.00 22.22 C ATOM 1425 C ILE B 57 -17.040 9.258 -22.084 1.00 20.54 C ATOM 1426 O ILE B 57 -17.691 8.270 -22.451 1.00 22.88 O ATOM 1427 CB ILE B 57 -17.851 9.974 -19.802 1.00 19.76 C ATOM 1428 CG1 ILE B 57 -18.204 11.194 -18.963 1.00 27.14 C ATOM 1429 CG2 ILE B 57 -16.556 9.374 -19.249 1.00 23.67 C ATOM 1430 CD1 ILE B 57 -19.612 11.605 -19.050 1.00 25.71 C ATOM 1431 H ILE B 57 -19.673 9.948 -21.982 1.00 0.00 H ATOM 1432 N VAL B 58 -15.754 9.422 -22.347 1.00 25.48 N ATOM 1433 CA VAL B 58 -15.001 8.471 -23.130 1.00 23.47 C ATOM 1434 C VAL B 58 -13.736 8.171 -22.369 1.00 19.55 C ATOM 1435 O VAL B 58 -13.031 9.085 -21.976 1.00 22.90 O ATOM 1436 CB VAL B 58 -14.692 9.034 -24.537 1.00 23.87 C ATOM 1437 CG1 VAL B 58 -13.772 8.106 -25.295 1.00 24.32 C ATOM 1438 CG2 VAL B 58 -15.975 9.256 -25.327 1.00 26.44 C ATOM 1439 H VAL B 58 -15.269 10.264 -21.977 1.00 0.00 H ATOM 1440 N GLY B 59 -13.447 6.893 -22.154 1.00 22.23 N ATOM 1441 CA GLY B 59 -12.259 6.520 -21.412 1.00 23.69 C ATOM 1442 C GLY B 59 -12.029 5.031 -21.260 1.00 24.40 C ATOM 1443 O GLY B 59 -12.858 4.213 -21.649 1.00 25.83 O ATOM 1444 H GLY B 59 -14.079 6.153 -22.521 1.00 0.00 H ATOM 1445 N ARG B 60 -10.882 4.689 -20.683 1.00 27.27 N ATOM 1446 CA ARG B 60 -10.509 3.306 -20.450 1.00 24.53 C ATOM 1447 C ARG B 60 -10.651 2.926 -18.988 1.00 25.18 C ATOM 1448 O ARG B 60 -10.671 1.739 -18.655 1.00 26.83 O ATOM 1449 CB ARG B 60 -9.076 3.068 -20.914 1.00 28.29 C ATOM 1450 CG ARG B 60 -8.929 3.228 -22.425 1.00 34.06 C ATOM 1451 CD ARG B 60 -7.486 3.233 -22.866 1.00 45.25 C ATOM 1452 NE ARG B 60 -7.397 3.502 -24.302 1.00 67.94 N ATOM 1453 CZ ARG B 60 -7.198 2.578 -25.242 1.00 81.56 C ATOM 1454 NH1 ARG B 60 -7.032 1.300 -24.920 1.00 79.58 N ATOM 1455 NH2 ARG B 60 -7.149 2.942 -26.517 1.00 77.53 N ATOM 1456 HE ARG B 60 -7.497 4.489 -24.613 1.00 0.00 H ATOM 1457 HH12 ARG B 60 -6.878 0.592 -25.666 1.00 0.00 H ATOM 1458 HH11 ARG B 60 -7.056 1.008 -23.922 1.00 0.00 H ATOM 1459 HH22 ARG B 60 -6.994 2.227 -27.256 1.00 0.00 H ATOM 1460 HH21 ARG B 60 -7.265 3.942 -26.777 1.00 0.00 H ATOM 1461 H ARG B 60 -10.227 5.441 -20.387 1.00 0.00 H ATOM 1462 N ASN B 61 -10.740 3.927 -18.109 1.00 25.37 N ATOM 1463 CA ASN B 61 -10.916 3.647 -16.688 1.00 29.08 C ATOM 1464 C ASN B 61 -11.746 4.691 -15.967 1.00 21.72 C ATOM 1465 O ASN B 61 -11.257 5.772 -15.638 1.00 24.74 O ATOM 1466 CB ASN B 61 -9.578 3.544 -15.974 1.00 30.33 C ATOM 1467 CG ASN B 61 -9.756 3.233 -14.501 1.00 31.04 C ATOM 1468 OD1 ASN B 61 -9.717 4.128 -13.660 1.00 30.30 O ATOM 1469 ND2 ASN B 61 -10.010 1.973 -14.191 1.00 33.25 N ATOM 1470 HD22 ASN B 61 -10.033 1.248 -14.937 1.00 0.00 H ATOM 1471 HD21 ASN B 61 -10.187 1.706 -13.201 1.00 0.00 H ATOM 1472 H ASN B 61 -10.684 4.912 -18.439 1.00 0.00 H ATOM 1473 N PHE B 62 -13.001 4.350 -15.718 1.00 20.67 N ATOM 1474 CA PHE B 62 -13.895 5.198 -14.959 1.00 25.97 C ATOM 1475 C PHE B 62 -15.134 4.426 -14.540 1.00 26.42 C ATOM 1476 O PHE B 62 -15.517 3.431 -15.148 1.00 23.85 O ATOM 1477 CB PHE B 62 -14.269 6.455 -15.760 1.00 19.79 C ATOM 1478 CG PHE B 62 -15.179 6.206 -16.947 1.00 22.49 C ATOM 1479 CD1 PHE B 62 -14.656 5.839 -18.178 1.00 26.07 C ATOM 1480 CD2 PHE B 62 -16.542 6.386 -16.839 1.00 21.99 C ATOM 1481 CE1 PHE B 62 -15.500 5.630 -19.267 1.00 22.48 C ATOM 1482 CE2 PHE B 62 -17.381 6.173 -17.902 1.00 27.62 C ATOM 1483 CZ PHE B 62 -16.859 5.802 -19.126 1.00 24.18 C ATOM 1484 H PHE B 62 -13.356 3.442 -16.080 1.00 0.00 H ATOM 1485 N GLY B 63 -15.726 4.866 -13.439 1.00 22.31 N ATOM 1486 CA GLY B 63 -17.038 4.419 -13.057 1.00 20.35 C ATOM 1487 C GLY B 63 -17.924 5.641 -12.995 1.00 15.44 C ATOM 1488 O GLY B 63 -17.434 6.763 -12.918 1.00 22.54 O ATOM 1489 H GLY B 63 -15.229 5.552 -12.836 1.00 0.00 H ATOM 1490 N SER B 64 -19.229 5.440 -13.040 1.00 20.51 N ATOM 1491 CA SER B 64 -20.137 6.552 -13.032 1.00 23.14 C ATOM 1492 C SER B 64 -21.402 6.211 -12.282 1.00 18.63 C ATOM 1493 O SER B 64 -21.766 5.046 -12.160 1.00 26.85 O ATOM 1494 CB SER B 64 -20.492 6.953 -14.463 1.00 26.34 C ATOM 1495 OG SER B 64 -21.428 6.044 -15.022 1.00 26.46 O ATOM 1496 HG SER B 64 -22.253 6.044 -14.475 1.00 0.00 H ATOM 1497 H SER B 64 -19.601 4.470 -13.081 1.00 0.00 H ATOM 1498 N TYR B 65 -22.065 7.254 -11.803 1.00 24.04 N ATOM 1499 CA TYR B 65 -23.451 7.177 -11.380 1.00 26.83 C ATOM 1500 C TYR B 65 -24.148 8.424 -11.898 1.00 27.09 C ATOM 1501 O TYR B 65 -23.904 9.535 -11.425 1.00 26.56 O ATOM 1502 CB TYR B 65 -23.565 7.071 -9.856 1.00 27.15 C ATOM 1503 CG TYR B 65 -24.929 6.642 -9.360 1.00 27.65 C ATOM 1504 CD1 TYR B 65 -25.488 5.438 -9.748 1.00 28.81 C ATOM 1505 CD2 TYR B 65 -25.639 7.431 -8.467 1.00 35.47 C ATOM 1506 CE1 TYR B 65 -26.733 5.039 -9.277 1.00 40.73 C ATOM 1507 CE2 TYR B 65 -26.878 7.042 -7.996 1.00 38.00 C ATOM 1508 CZ TYR B 65 -27.417 5.841 -8.395 1.00 42.18 C ATOM 1509 OH TYR B 65 -28.655 5.456 -7.919 1.00 44.49 O ATOM 1510 HH TYR B 65 -29.333 6.127 -8.185 1.00 0.00 H ATOM 1511 H TYR B 65 -21.571 8.166 -11.727 1.00 0.00 H ATOM 1512 N VAL B 66 -25.005 8.230 -12.889 1.00 28.64 N ATOM 1513 CA VAL B 66 -25.690 9.324 -13.545 1.00 27.88 C ATOM 1514 C VAL B 66 -27.178 9.039 -13.528 1.00 28.03 C ATOM 1515 O VAL B 66 -27.587 7.887 -13.450 1.00 31.61 O ATOM 1516 CB VAL B 66 -25.188 9.511 -15.001 1.00 28.66 C ATOM 1517 CG1 VAL B 66 -23.682 9.583 -15.031 1.00 25.31 C ATOM 1518 CG2 VAL B 66 -25.687 8.371 -15.895 1.00 35.24 C ATOM 1519 H VAL B 66 -25.192 7.258 -13.207 1.00 0.00 H ATOM 1520 N THR B 67 -27.983 10.090 -13.618 1.00 33.95 N ATOM 1521 CA THR B 67 -29.425 9.933 -13.707 1.00 35.80 C ATOM 1522 C THR B 67 -29.853 10.320 -15.105 1.00 32.18 C ATOM 1523 O THR B 67 -29.742 11.482 -15.494 1.00 40.53 O ATOM 1524 CB THR B 67 -30.175 10.799 -12.684 1.00 37.11 C ATOM 1525 OG1 THR B 67 -29.654 10.554 -11.374 1.00 39.55 O ATOM 1526 CG2 THR B 67 -31.657 10.479 -12.716 1.00 45.72 C ATOM 1527 HG1 THR B 67 -30.139 11.114 -10.717 1.00 0.00 H ATOM 1528 H THR B 67 -27.573 11.046 -13.625 1.00 0.00 H ATOM 1529 N HIS B 68 -30.332 9.357 -15.875 1.00 42.20 N ATOM 1530 CA HIS B 68 -30.670 9.643 -17.253 1.00 47.77 C ATOM 1531 C HIS B 68 -32.158 9.587 -17.530 1.00 57.66 C ATOM 1532 O HIS B 68 -32.927 8.930 -16.825 1.00 47.83 O ATOM 1533 CB HIS B 68 -29.954 8.673 -18.184 1.00 43.24 C ATOM 1534 CG HIS B 68 -30.380 7.252 -18.024 1.00 34.71 C ATOM 1535 ND1 HIS B 68 -31.458 6.720 -18.699 1.00 43.60 N ATOM 1536 CD2 HIS B 68 -29.870 6.243 -17.277 1.00 38.56 C ATOM 1537 CE1 HIS B 68 -31.589 5.448 -18.380 1.00 37.87 C ATOM 1538 NE2 HIS B 68 -30.639 5.133 -17.515 1.00 45.86 N ATOM 1539 H HIS B 68 -30.465 8.399 -15.492 1.00 0.00 H ATOM 1540 N GLU B 69 -32.539 10.304 -18.576 1.00 47.01 N ATOM 1541 CA GLU B 69 -33.886 10.260 -19.107 1.00 51.70 C ATOM 1542 C GLU B 69 -34.127 8.869 -19.670 1.00 50.57 C ATOM 1543 O GLU B 69 -33.245 8.290 -20.309 1.00 43.05 O ATOM 1544 CB GLU B 69 -34.060 11.328 -20.187 1.00 47.89 C ATOM 1545 CG GLU B 69 -35.458 11.436 -20.746 1.00 54.67 C ATOM 1546 CD GLU B 69 -35.561 12.470 -21.853 1.00 67.08 C ATOM 1547 OE1 GLU B 69 -34.603 13.248 -22.049 1.00 49.54 O ATOM 1548 OE2 GLU B 69 -36.608 12.502 -22.532 1.00 88.32 O ATOM 1549 H GLU B 69 -31.842 10.925 -19.035 1.00 0.00 H ATOM 1550 N THR B 70 -35.306 8.312 -19.426 1.00 52.83 N ATOM 1551 CA THR B 70 -35.594 6.980 -19.947 1.00 55.72 C ATOM 1552 C THR B 70 -35.493 7.020 -21.468 1.00 45.73 C ATOM 1553 O THR B 70 -35.917 7.982 -22.105 1.00 50.24 O ATOM 1554 CB THR B 70 -36.981 6.462 -19.526 1.00 61.40 C ATOM 1555 OG1 THR B 70 -37.994 7.325 -20.050 1.00 69.22 O ATOM 1556 CG2 THR B 70 -37.093 6.392 -17.996 1.00 59.16 C ATOM 1557 HG1 THR B 70 -37.934 7.341 -21.038 1.00 0.00 H ATOM 1558 H THR B 70 -36.020 8.821 -18.867 1.00 0.00 H ATOM 1559 N ARG B 71 -34.898 5.969 -22.019 1.00 47.01 N ATOM 1560 CA ARG B 71 -34.711 5.790 -23.463 1.00 45.42 C ATOM 1561 C ARG B 71 -33.642 6.719 -24.050 1.00 45.13 C ATOM 1562 O ARG B 71 -33.586 6.933 -25.258 1.00 41.47 O ATOM 1563 CB ARG B 71 -36.036 5.985 -24.200 1.00 44.52 C ATOM 1564 CG ARG B 71 -37.068 4.921 -23.866 1.00 47.54 C ATOM 1565 CD ARG B 71 -36.705 3.572 -24.487 1.00 56.57 C ATOM 1566 NE ARG B 71 -36.969 3.540 -25.923 1.00 56.44 N ATOM 1567 CZ ARG B 71 -36.705 2.501 -26.710 1.00 61.74 C ATOM 1568 NH1 ARG B 71 -36.981 2.564 -28.006 1.00 55.42 N ATOM 1569 NH2 ARG B 71 -36.161 1.404 -26.206 1.00 63.76 N ATOM 1570 HE ARG B 71 -37.391 4.385 -26.359 1.00 0.00 H ATOM 1571 HH12 ARG B 71 -36.775 1.752 -28.622 1.00 0.00 H ATOM 1572 HH11 ARG B 71 -37.404 3.426 -28.406 1.00 0.00 H ATOM 1573 HH22 ARG B 71 -35.956 0.594 -26.825 1.00 0.00 H ATOM 1574 HH21 ARG B 71 -35.939 1.353 -25.191 1.00 0.00 H ATOM 1575 H ARG B 71 -34.541 5.225 -21.386 1.00 0.00 H ATOM 1576 N HIS B 72 -32.769 7.245 -23.198 1.00 43.02 N ATOM 1577 CA HIS B 72 -31.668 8.080 -23.671 1.00 40.60 C ATOM 1578 C HIS B 72 -30.395 7.802 -22.891 1.00 40.35 C ATOM 1579 O HIS B 72 -29.823 8.698 -22.276 1.00 34.16 O ATOM 1580 CB HIS B 72 -32.039 9.558 -23.568 1.00 38.37 C ATOM 1581 CG HIS B 72 -33.248 9.921 -24.369 1.00 47.59 C ATOM 1582 ND1 HIS B 72 -34.526 9.830 -23.869 1.00 58.07 N ATOM 1583 CD2 HIS B 72 -33.373 10.343 -25.652 1.00 48.78 C ATOM 1584 CE1 HIS B 72 -35.390 10.199 -24.800 1.00 65.07 C ATOM 1585 NE2 HIS B 72 -34.714 10.511 -25.889 1.00 49.54 N ATOM 1586 H HIS B 72 -32.871 7.060 -22.180 1.00 0.00 H ATOM 1587 N PHE B 73 -29.948 6.554 -22.948 1.00 37.32 N ATOM 1588 CA PHE B 73 -28.751 6.126 -22.244 1.00 32.72 C ATOM 1589 C PHE B 73 -28.094 4.994 -23.005 1.00 30.54 C ATOM 1590 O PHE B 73 -28.750 4.025 -23.372 1.00 31.79 O ATOM 1591 CB PHE B 73 -29.105 5.686 -20.814 1.00 34.16 C ATOM 1592 CG PHE B 73 -27.976 5.029 -20.073 1.00 42.27 C ATOM 1593 CD1 PHE B 73 -27.098 5.784 -19.310 1.00 33.07 C ATOM 1594 CD2 PHE B 73 -27.804 3.657 -20.116 1.00 37.11 C ATOM 1595 CE1 PHE B 73 -26.067 5.181 -18.619 1.00 38.54 C ATOM 1596 CE2 PHE B 73 -26.771 3.049 -19.436 1.00 38.20 C ATOM 1597 CZ PHE B 73 -25.899 3.809 -18.685 1.00 35.58 C ATOM 1598 H PHE B 73 -30.472 5.858 -23.516 1.00 0.00 H ATOM 1599 N ILE B 74 -26.800 5.120 -23.261 1.00 31.16 N ATOM 1600 CA ILE B 74 -26.048 3.992 -23.762 1.00 31.74 C ATOM 1601 C ILE B 74 -24.657 4.004 -23.160 1.00 26.40 C ATOM 1602 O ILE B 74 -24.034 5.047 -22.961 1.00 29.78 O ATOM 1603 CB ILE B 74 -25.990 3.957 -25.313 1.00 25.67 C ATOM 1604 CG1 ILE B 74 -25.360 2.642 -25.774 1.00 40.49 C ATOM 1605 CG2 ILE B 74 -25.212 5.152 -25.868 1.00 30.51 C ATOM 1606 CD1 ILE B 74 -25.329 2.449 -27.277 1.00 43.25 C ATOM 1607 H ILE B 74 -26.325 6.031 -23.101 1.00 0.00 H ATOM 1608 N TYR B 75 -24.201 2.807 -22.839 1.00 28.81 N ATOM 1609 CA TYR B 75 -22.872 2.593 -22.321 1.00 27.33 C ATOM 1610 C TYR B 75 -22.308 1.463 -23.138 1.00 30.17 C ATOM 1611 O TYR B 75 -22.851 0.370 -23.126 1.00 28.20 O ATOM 1612 CB TYR B 75 -22.895 2.248 -20.829 1.00 23.82 C ATOM 1613 CG TYR B 75 -21.536 1.880 -20.297 1.00 23.21 C ATOM 1614 CD1 TYR B 75 -20.483 2.785 -20.346 1.00 29.02 C ATOM 1615 CD2 TYR B 75 -21.303 0.637 -19.738 1.00 33.70 C ATOM 1616 CE1 TYR B 75 -19.243 2.452 -19.872 1.00 28.56 C ATOM 1617 CE2 TYR B 75 -20.059 0.300 -19.257 1.00 28.82 C ATOM 1618 CZ TYR B 75 -19.040 1.209 -19.317 1.00 26.60 C ATOM 1619 OH TYR B 75 -17.809 0.869 -18.828 1.00 30.19 O ATOM 1620 HH TYR B 75 -17.466 0.082 -19.320 1.00 0.00 H ATOM 1621 H TYR B 75 -24.826 1.985 -22.965 1.00 0.00 H ATOM 1622 N PHE B 76 -21.249 1.734 -23.886 1.00 26.27 N ATOM 1623 CA PHE B 76 -20.670 0.723 -24.738 1.00 29.94 C ATOM 1624 C PHE B 76 -19.192 0.912 -24.948 1.00 32.31 C ATOM 1625 O PHE B 76 -18.646 1.999 -24.745 1.00 32.42 O ATOM 1626 CB PHE B 76 -21.365 0.720 -26.100 1.00 33.19 C ATOM 1627 CG PHE B 76 -21.145 1.973 -26.916 1.00 31.96 C ATOM 1628 CD1 PHE B 76 -21.831 3.144 -26.621 1.00 31.18 C ATOM 1629 CD2 PHE B 76 -20.284 1.964 -28.017 1.00 31.66 C ATOM 1630 CE1 PHE B 76 -21.650 4.287 -27.384 1.00 30.31 C ATOM 1631 CE2 PHE B 76 -20.102 3.102 -28.786 1.00 27.63 C ATOM 1632 CZ PHE B 76 -20.780 4.263 -28.478 1.00 28.98 C ATOM 1633 H PHE B 76 -20.830 2.686 -23.859 1.00 0.00 H ATOM 1634 N TYR B 77 -18.564 -0.174 -25.377 1.00 33.05 N ATOM 1635 CA TYR B 77 -17.185 -0.165 -25.808 1.00 25.83 C ATOM 1636 C TYR B 77 -17.087 -0.129 -27.324 1.00 35.02 C ATOM 1637 O TYR B 77 -17.866 -0.776 -28.021 1.00 33.70 O ATOM 1638 CB TYR B 77 -16.466 -1.408 -25.305 1.00 34.55 C ATOM 1639 CG TYR B 77 -15.913 -1.279 -23.914 1.00 31.26 C ATOM 1640 CD1 TYR B 77 -16.733 -1.426 -22.808 1.00 35.32 C ATOM 1641 CD2 TYR B 77 -14.566 -1.022 -23.708 1.00 33.35 C ATOM 1642 CE1 TYR B 77 -16.221 -1.311 -21.514 1.00 35.47 C ATOM 1643 CE2 TYR B 77 -14.045 -0.904 -22.423 1.00 33.13 C ATOM 1644 CZ TYR B 77 -14.879 -1.058 -21.337 1.00 32.25 C ATOM 1645 OH TYR B 77 -14.359 -0.949 -20.063 1.00 35.89 O ATOM 1646 HH TYR B 77 -13.965 -0.048 -19.944 1.00 0.00 H ATOM 1647 H TYR B 77 -19.087 -1.072 -25.404 1.00 0.00 H ATOM 1648 N LEU B 78 -16.146 0.660 -27.822 1.00 31.78 N ATOM 1649 CA LEU B 78 -15.740 0.575 -29.221 1.00 33.54 C ATOM 1650 C LEU B 78 -14.256 0.247 -29.175 1.00 40.09 C ATOM 1651 O LEU B 78 -13.428 1.105 -28.880 1.00 40.25 O ATOM 1652 CB LEU B 78 -16.041 1.872 -29.971 1.00 37.59 C ATOM 1653 CG LEU B 78 -15.821 1.914 -31.485 1.00 37.31 C ATOM 1654 CD1 LEU B 78 -16.399 0.692 -32.186 1.00 42.89 C ATOM 1655 CD2 LEU B 78 -16.445 3.179 -32.055 1.00 42.55 C ATOM 1656 H LEU B 78 -15.686 1.356 -27.201 1.00 0.00 H ATOM 1657 N GLY B 79 -13.938 -1.016 -29.416 1.00 48.24 N ATOM 1658 CA GLY B 79 -12.596 -1.500 -29.186 1.00 41.47 C ATOM 1659 C GLY B 79 -12.313 -1.407 -27.702 1.00 48.51 C ATOM 1660 O GLY B 79 -13.104 -1.869 -26.879 1.00 39.47 O ATOM 1661 H GLY B 79 -14.664 -1.668 -29.776 1.00 0.00 H ATOM 1662 N GLN B 80 -11.203 -0.764 -27.366 1.00 43.07 N ATOM 1663 CA GLN B 80 -10.689 -0.740 -25.997 1.00 38.20 C ATOM 1664 C GLN B 80 -11.276 0.423 -25.184 1.00 50.03 C ATOM 1665 O GLN B 80 -11.064 0.531 -23.971 1.00 41.28 O ATOM 1666 CB GLN B 80 -9.163 -0.641 -26.031 1.00 60.08 C ATOM 1667 CG GLN B 80 -8.507 -1.312 -27.253 1.00 88.32 C ATOM 1668 CD GLN B 80 -8.292 -0.352 -28.439 1.00 93.75 C ATOM 1669 OE1 GLN B 80 -9.221 -0.040 -29.194 1.00 80.71 O ATOM 1670 NE2 GLN B 80 -7.055 0.110 -28.603 1.00 94.26 N ATOM 1671 HE22 GLN B 80 -6.302 -0.177 -27.946 1.00 0.00 H ATOM 1672 HE21 GLN B 80 -6.842 0.758 -29.388 1.00 0.00 H ATOM 1673 H GLN B 80 -10.677 -0.256 -28.106 1.00 0.00 H ATOM 1674 N VAL B 81 -12.034 1.282 -25.857 1.00 35.55 N ATOM 1675 CA VAL B 81 -12.514 2.524 -25.261 1.00 31.20 C ATOM 1676 C VAL B 81 -13.965 2.401 -24.836 1.00 27.85 C ATOM 1677 O VAL B 81 -14.801 1.920 -25.589 1.00 30.08 O ATOM 1678 CB VAL B 81 -12.362 3.697 -26.237 1.00 50.89 C ATOM 1679 CG1 VAL B 81 -12.670 5.010 -25.539 1.00 64.91 C ATOM 1680 CG2 VAL B 81 -10.961 3.721 -26.829 1.00 60.08 C ATOM 1681 H VAL B 81 -12.293 1.062 -26.840 1.00 0.00 H ATOM 1682 N ALA B 82 -14.269 2.867 -23.628 1.00 27.30 N ATOM 1683 CA ALA B 82 -15.639 2.871 -23.147 1.00 25.70 C ATOM 1684 C ALA B 82 -16.272 4.228 -23.364 1.00 28.07 C ATOM 1685 O ALA B 82 -15.635 5.265 -23.197 1.00 27.50 O ATOM 1686 CB ALA B 82 -15.687 2.499 -21.676 1.00 27.49 C ATOM 1687 H ALA B 82 -13.512 3.235 -23.017 1.00 0.00 H ATOM 1688 N ILE B 83 -17.550 4.209 -23.704 1.00 26.65 N ATOM 1689 CA ILE B 83 -18.275 5.409 -24.044 1.00 23.42 C ATOM 1690 C ILE B 83 -19.602 5.409 -23.306 1.00 24.28 C ATOM 1691 O ILE B 83 -20.392 4.469 -23.404 1.00 27.66 O ATOM 1692 CB ILE B 83 -18.485 5.520 -25.569 1.00 27.10 C ATOM 1693 CG1 ILE B 83 -17.130 5.516 -26.276 1.00 37.96 C ATOM 1694 CG2 ILE B 83 -19.260 6.789 -25.919 1.00 27.26 C ATOM 1695 CD1 ILE B 83 -17.211 5.440 -27.776 1.00 51.98 C ATOM 1696 H ILE B 83 -18.050 3.297 -23.727 1.00 0.00 H ATOM 1697 N LEU B 84 -19.827 6.484 -22.565 1.00 27.25 N ATOM 1698 CA LEU B 84 -21.076 6.711 -21.871 1.00 19.65 C ATOM 1699 C LEU B 84 -21.740 7.915 -22.493 1.00 20.04 C ATOM 1700 O LEU B 84 -21.164 8.988 -22.520 1.00 25.32 O ATOM 1701 CB LEU B 84 -20.820 6.937 -20.368 1.00 19.87 C ATOM 1702 CG LEU B 84 -21.985 7.446 -19.522 1.00 27.07 C ATOM 1703 CD1 LEU B 84 -23.151 6.468 -19.522 1.00 31.00 C ATOM 1704 CD2 LEU B 84 -21.495 7.707 -18.097 1.00 28.48 C ATOM 1705 H LEU B 84 -19.073 7.195 -22.478 1.00 0.00 H ATOM 1706 N LEU B 85 -22.957 7.728 -22.994 1.00 26.42 N ATOM 1707 CA LEU B 85 -23.673 8.779 -23.683 1.00 25.13 C ATOM 1708 C LEU B 85 -25.114 8.797 -23.204 1.00 25.70 C ATOM 1709 O LEU B 85 -25.780 7.770 -23.215 1.00 27.66 O ATOM 1710 CB LEU B 85 -23.584 8.546 -25.201 1.00 29.08 C ATOM 1711 CG LEU B 85 -24.417 9.427 -26.119 1.00 32.56 C ATOM 1712 CD1 LEU B 85 -23.920 10.851 -26.079 1.00 27.60 C ATOM 1713 CD2 LEU B 85 -24.353 8.848 -27.539 1.00 28.19 C ATOM 1714 H LEU B 85 -23.408 6.797 -22.887 1.00 0.00 H ATOM 1715 N PHE B 86 -25.599 9.954 -22.760 1.00 28.99 N ATOM 1716 CA PHE B 86 -26.921 10.017 -22.165 1.00 27.32 C ATOM 1717 C PHE B 86 -27.468 11.434 -22.099 1.00 28.85 C ATOM 1718 O PHE B 86 -26.717 12.403 -22.187 1.00 28.36 O ATOM 1719 CB PHE B 86 -26.880 9.402 -20.753 1.00 28.01 C ATOM 1720 CG PHE B 86 -26.176 10.256 -19.726 1.00 32.23 C ATOM 1721 CD1 PHE B 86 -24.794 10.263 -19.631 1.00 26.83 C ATOM 1722 CD2 PHE B 86 -26.898 11.034 -18.849 1.00 37.91 C ATOM 1723 CE1 PHE B 86 -24.152 11.043 -18.697 1.00 27.96 C ATOM 1724 CE2 PHE B 86 -26.252 11.820 -17.897 1.00 35.84 C ATOM 1725 CZ PHE B 86 -24.885 11.820 -17.825 1.00 33.82 C ATOM 1726 H PHE B 86 -25.027 10.819 -22.840 1.00 0.00 H ATOM 1727 N LYS B 87 -28.789 11.540 -21.971 1.00 31.19 N ATOM 1728 CA LYS B 87 -29.449 12.799 -21.612 1.00 39.46 C ATOM 1729 C LYS B 87 -29.790 12.750 -20.136 1.00 34.93 C ATOM 1730 O LYS B 87 -30.074 11.671 -19.612 1.00 35.59 O ATOM 1731 CB LYS B 87 -30.731 13.015 -22.407 1.00 49.22 C ATOM 1732 CG LYS B 87 -30.572 13.366 -23.860 1.00 45.41 C ATOM 1733 CD LYS B 87 -31.918 13.876 -24.364 1.00 55.88 C ATOM 1734 CE LYS B 87 -31.865 14.461 -25.742 1.00 62.85 C ATOM 1735 NZ LYS B 87 -33.224 14.934 -26.110 1.00 74.56 N ATOM 1736 HZ1 LYS B 87 -33.886 14.132 -26.091 1.00 0.00 H ATOM 1737 HZ2 LYS B 87 -33.534 15.657 -25.430 1.00 0.00 H ATOM 1738 HZ3 LYS B 87 -33.200 15.343 -27.066 1.00 0.00 H ATOM 1739 H LYS B 87 -29.376 10.697 -22.132 1.00 0.00 H ATOM 1740 N SER B 88 -29.803 13.897 -19.460 1.00 37.30 N ATOM 1741 CA SER B 88 -30.065 13.887 -18.025 1.00 40.59 C ATOM 1742 C SER B 88 -31.543 13.690 -17.722 1.00 53.22 C ATOM 1743 O SER B 88 -32.413 14.247 -18.400 1.00 64.21 O ATOM 1744 CB SER B 88 -29.592 15.179 -17.367 1.00 51.06 C ATOM 1745 OG SER B 88 -29.951 15.177 -15.995 1.00 43.94 O ATOM 1746 HG SER B 88 -30.935 15.108 -15.913 1.00 0.00 H ATOM 1747 H SER B 88 -29.627 14.796 -19.953 1.00 0.00 H ATOM 1748 N GLY B 89 -31.811 12.886 -16.698 1.00 67.75 N ATOM 1749 CA GLY B 89 -33.151 12.727 -16.168 1.00 60.13 C ATOM 1750 C GLY B 89 -33.373 13.648 -14.985 1.00 78.30 C ATOM 1751 O GLY B 89 -32.990 14.821 -15.019 1.00 76.35 O ATOM 1752 OXT GLY B 89 -33.935 13.251 -13.963 1.00 85.20 O ATOM 1753 H GLY B 89 -31.032 12.352 -16.262 1.00 0.00 H TER 1754 GLY B 89 HETATM 1755 O HOH 1 -6.392 8.215 -4.176 1.00 66.83 O HETATM 1756 O HOH 2 -10.273 23.316 2.423 1.00 60.73 O HETATM 1757 O HOH 3 -4.408 8.754 2.822 1.00 67.79 O HETATM 1758 O HOH 4 -0.984 11.227 1.754 1.00 50.93 O HETATM 1759 O HOH 5 -13.780 10.845 5.804 1.00 59.86 O HETATM 1760 O HOH 6 -6.762 14.360 3.026 1.00 60.91 O HETATM 1761 O HOH 7 -29.596 10.544 -5.397 1.00 41.38 O HETATM 1762 O HOH 8 -29.771 21.480 -13.537 1.00 55.69 O HETATM 1763 O HOH 9 -15.590 29.854 -6.698 1.00 61.50 O HETATM 1764 O HOH 10 -28.865 17.380 -13.892 1.00 45.39 O HETATM 1765 O HOH 11 -12.054 20.977 -17.127 1.00 55.02 O HETATM 1766 O HOH 12 -23.039 25.864 0.921 1.00 62.93 O HETATM 1767 O HOH 13 -16.440 0.204 3.719 1.00 30.75 O HETATM 1768 O HOH 14 -2.373 12.485 -2.444 1.00 46.86 O HETATM 1769 O HOH 15 -4.312 9.052 -12.203 1.00 40.18 O HETATM 1770 O HOH 16 -29.442 11.158 -2.631 1.00 45.14 O HETATM 1771 O HOH 17 -5.490 10.295 -14.224 1.00 38.33 O HETATM 1772 O HOH 18 -22.220 26.600 -6.266 1.00 43.17 O HETATM 1773 O HOH 19 -9.234 4.017 -9.032 1.00 46.36 O HETATM 1774 O HOH 20 -19.237 -2.992 -6.481 1.00 59.32 O HETATM 1775 O HOH 21 -10.471 3.085 4.541 1.00 56.23 O HETATM 1776 O HOH 22 -21.980 3.524 -3.259 1.00 40.40 O HETATM 1777 O HOH 23 -4.099 14.848 -6.414 1.00 41.92 O HETATM 1778 O HOH 24 -13.533 19.752 5.523 1.00 50.50 O HETATM 1779 O HOH 25 -33.429 13.024 -10.132 1.00 54.19 O HETATM 1780 O HOH 26 -19.686 7.536 5.058 1.00 57.65 O HETATM 1781 O HOH 27 -21.634 22.301 -27.540 1.00 49.18 O HETATM 1782 O HOH 28 -12.883 0.646 -9.846 1.00 33.18 O HETATM 1783 O HOH 29 -24.090 8.987 -0.048 1.00 52.24 O HETATM 1784 O HOH 30 -10.400 3.662 -2.060 1.00 50.70 O HETATM 1785 O HOH 31 -11.609 26.510 -11.503 1.00 56.04 O HETATM 1786 O HOH 32 -31.191 19.235 -12.092 1.00 49.58 O HETATM 1787 O HOH 33 -22.021 -1.386 -13.297 1.00 46.46 O HETATM 1788 O HOH 34 -5.505 23.481 -10.723 1.00 64.07 O HETATM 1789 O HOH 35 -10.497 0.037 -8.030 1.00 50.02 O HETATM 1790 O HOH 36 -16.108 28.511 -9.298 1.00 43.43 O HETATM 1791 O HOH 37 -30.235 22.054 -0.800 1.00 39.81 O HETATM 1792 O HOH 38 -15.093 28.636 -14.171 1.00 60.58 O HETATM 1793 O HOH 39 -17.251 6.925 4.722 1.00 53.87 O HETATM 1794 O HOH 40 -5.813 8.628 -22.765 1.00 46.42 O HETATM 1795 O HOH 41 -31.113 22.658 -15.535 1.00 65.47 O HETATM 1796 O HOH 42 -31.094 16.670 2.764 1.00 50.15 O HETATM 1797 O HOH 43 -3.710 21.793 -11.341 1.00 57.98 O HETATM 1798 O HOH 44 -3.373 16.005 -9.740 1.00 60.81 O HETATM 1799 O HOH 45 -23.853 4.845 -2.165 1.00 63.11 O HETATM 1800 O HOH 46 -5.369 4.311 -19.886 1.00 62.21 O HETATM 1801 O HOH 47 -6.458 3.350 -18.516 1.00 53.37 O HETATM 1802 O HOH 48 -3.182 6.481 -13.018 1.00 57.82 O HETATM 1803 O HOH 49 -18.267 -4.409 -8.253 1.00 67.77 O HETATM 1804 O HOH 50 -24.421 6.102 -0.004 1.00 49.08 O HETATM 1805 O HOH 51 -15.048 25.679 -15.202 1.00 69.21 O HETATM 1806 O HOH 52 -3.788 17.812 -17.963 1.00 63.91 O HETATM 1807 O HOH 53 -11.650 13.909 -17.427 1.00 25.55 O HETATM 1808 O HOH 54 -6.978 16.486 -15.652 1.00 40.99 O HETATM 1809 O HOH 55 -4.311 5.928 -16.111 1.00 49.84 O HETATM 1810 O HOH 56 -9.380 18.908 -18.429 1.00 35.44 O HETATM 1811 O HOH 57 -21.287 26.297 -23.699 1.00 53.90 O HETATM 1812 O HOH 58 -5.275 16.939 -19.252 1.00 47.14 O HETATM 1813 O HOH 59 -4.972 12.692 -23.460 1.00 38.33 O HETATM 1814 O HOH 60 -4.838 15.418 -23.538 1.00 46.74 O HETATM 1815 O HOH 61 -10.310 1.428 -29.993 1.00 66.83 O HETATM 1816 O HOH 62 -25.329 -2.761 -36.592 1.00 60.73 O HETATM 1817 O HOH 63 -9.785 -0.560 -36.991 1.00 67.79 O HETATM 1818 O HOH 64 -10.215 -4.761 -35.923 1.00 50.93 O HETATM 1819 O HOH 65 -16.282 6.511 -39.973 1.00 59.86 O HETATM 1820 O HOH 66 -15.817 -1.324 -37.195 1.00 60.91 O HETATM 1821 O HOH 67 -23.929 20.359 -28.772 1.00 41.38 O HETATM 1822 O HOH 68 -33.488 15.042 -20.632 1.00 55.69 O HETATM 1823 O HOH 69 -33.649 -1.426 -27.471 1.00 61.50 O HETATM 1824 O HOH 70 -29.484 16.308 -20.277 1.00 45.39 O HETATM 1825 O HOH 71 -24.194 -0.049 -17.042 1.00 55.02 O HETATM 1826 O HOH 72 -33.918 7.020 -35.090 1.00 62.93 O HETATM 1827 O HOH 73 -8.397 14.135 -37.888 1.00 30.75 O HETATM 1828 O HOH 74 -11.999 -4.187 -31.725 1.00 46.86 O HETATM 1829 O HOH 75 -9.995 -0.792 -21.966 1.00 40.18 O HETATM 1830 O HOH 76 -24.384 19.919 -31.538 1.00 45.14 O HETATM 1831 O HOH 77 -11.661 -0.393 -19.945 1.00 38.33 O HETATM 1832 O HOH 78 -34.146 5.943 -27.903 1.00 43.17 O HETATM 1833 O HOH 79 -8.096 5.988 -25.137 1.00 46.36 O HETATM 1834 O HOH 80 -7.027 18.156 -27.688 1.00 59.32 O HETATM 1835 O HOH 81 -7.907 7.526 -38.710 1.00 56.23 O HETATM 1836 O HOH 82 -14.042 17.273 -30.910 1.00 40.40 O HETATM 1837 O HOH 83 -14.908 -3.874 -27.755 1.00 41.92 O HETATM 1838 O HOH 84 -23.872 1.844 -39.692 1.00 50.50 O HETATM 1839 O HOH 85 -27.994 22.438 -24.037 1.00 54.19 O HETATM 1840 O HOH 86 -16.369 13.281 -39.227 1.00 57.65 O HETATM 1841 O HOH 87 -30.130 7.585 -6.629 1.00 49.18 O HETATM 1842 O HOH 88 -7.001 10.834 -24.323 1.00 33.18 O HETATM 1843 O HOH 89 -19.828 16.369 -34.121 1.00 52.24 O HETATM 1844 O HOH 90 -8.371 7.176 -32.109 1.00 50.70 O HETATM 1845 O HOH 91 -28.763 -3.201 -22.666 1.00 56.04 O HETATM 1846 O HOH 92 -32.253 17.395 -22.077 1.00 49.58 O HETATM 1847 O HOH 93 -9.810 19.764 -20.872 1.00 46.46 O HETATM 1848 O HOH 94 -23.088 -6.973 -23.446 1.00 64.07 O HETATM 1849 O HOH 95 -5.281 9.072 -26.139 1.00 50.02 O HETATM 1850 O HOH 96 -32.745 -0.306 -24.871 1.00 43.43 O HETATM 1851 O HOH 97 -34.217 15.157 -33.369 1.00 39.81 O HETATM 1852 O HOH 98 -32.346 -1.247 -19.998 1.00 60.58 O HETATM 1853 O HOH 99 -14.623 11.477 -38.891 1.00 53.87 O HETATM 1854 O HOH 100 -10.379 0.720 -11.404 1.00 46.42 O HETATM 1855 O HOH 101 -35.179 15.616 -18.634 1.00 65.47 O HETATM 1856 O HOH 102 -29.984 18.593 -36.933 1.00 50.15 O HETATM 1857 O HOH 103 -20.728 -7.684 -22.828 1.00 57.98 O HETATM 1858 O HOH 104 -15.547 -5.081 -24.429 1.00 60.81 O HETATM 1859 O HOH 105 -16.122 18.235 -32.004 1.00 63.11 O HETATM 1860 O HOH 106 -6.418 2.494 -14.283 1.00 62.21 O HETATM 1861 O HOH 107 -6.130 3.918 -15.653 1.00 53.37 O HETATM 1862 O HOH 108 -7.204 -0.485 -21.151 1.00 57.82 O HETATM 1863 O HOH 109 -5.315 18.024 -25.916 1.00 67.77 O HETATM 1864 O HOH 110 -17.495 18.098 -34.165 1.00 49.08 O HETATM 1865 O HOH 111 -29.763 0.192 -18.967 1.00 69.21 O HETATM 1866 O HOH 112 -17.320 -5.625 -16.206 1.00 63.91 O HETATM 1867 O HOH 113 -17.871 3.135 -16.742 1.00 25.55 O HETATM 1868 O HOH 114 -17.766 -2.200 -18.517 1.00 40.99 O HETATM 1869 O HOH 115 -7.289 0.769 -18.058 1.00 49.84 O HETATM 1870 O HOH 116 -21.065 -1.331 -15.740 1.00 35.44 O HETATM 1871 O HOH 117 -33.417 5.287 -10.470 1.00 53.90 O HETATM 1872 O HOH 118 -17.307 -3.901 -14.917 1.00 47.14 O HETATM 1873 O HOH 119 -13.478 -2.040 -10.709 1.00 38.33 O HETATM 1874 O HOH 120 -15.771 -3.519 -10.631 1.00 46.74 O HETATM 1875 N ARG A 121 -23.345 25.706 -19.390 1.00 0.24 N HETATM 1876 CA ARG A 121 -22.250 25.732 -20.346 1.00 0.07 C HETATM 1877 C ARG A 121 -21.690 24.335 -20.561 1.00 0.23 C HETATM 1878 O ARG A 121 -21.817 23.455 -19.710 1.00 -0.39 O HETATM 1879 N ARG A 121 -21.071 24.138 -21.715 1.00 -0.26 N HETATM 1880 CA ARG A 121 -20.439 22.870 -22.032 1.00 0.15 C HETATM 1881 C ARG A 121 -18.940 22.999 -21.846 1.00 0.21 C HETATM 1882 O ARG A 121 -18.342 23.966 -22.288 1.00 -0.39 O HETATM 1883 N ARG A 121 -18.334 22.026 -21.179 1.00 -0.26 N HETATM 1884 CA ARG A 121 -16.890 22.032 -21.006 1.00 0.16 C HETATM 1885 C ARG A 121 -16.331 20.638 -21.148 1.00 0.21 C HETATM 1886 O ARG A 121 -17.054 19.651 -20.998 1.00 -0.39 O HETATM 1887 N ARG A 121 -15.045 20.569 -21.471 1.00 -0.26 N HETATM 1888 CA ARG A 121 -14.352 19.303 -21.556 1.00 0.16 C HETATM 1889 C ARG A 121 -13.567 19.080 -20.283 1.00 0.21 C HETATM 1890 O ARG A 121 -13.159 20.040 -19.603 1.00 -0.39 O HETATM 1891 N ARG A 121 -13.370 17.808 -19.962 1.00 -0.26 N HETATM 1892 CA ARG A 121 -12.392 17.415 -18.967 1.00 0.16 C HETATM 1893 C ARG A 121 -11.558 16.328 -19.608 1.00 0.21 C HETATM 1894 O ARG A 121 -12.034 15.587 -20.466 1.00 -0.39 O HETATM 1895 N ARG A 121 -10.300 16.247 -19.213 1.00 -0.26 N HETATM 1896 CA ARG A 121 -9.431 15.180 -19.655 1.00 0.13 C HETATM 1897 C ARG A 121 -8.466 14.804 -18.536 1.00 0.20 C HETATM 1898 O ARG A 121 -7.761 15.655 -18.017 1.00 -0.39 O HETATM 1899 N ARG A 121 -8.433 13.528 -18.174 1.00 -0.26 N HETATM 1900 CA ARG A 121 -7.513 13.058 -17.155 1.00 0.16 C HETATM 1901 C ARG A 121 -6.074 13.198 -17.627 1.00 0.21 C HETATM 1902 O ARG A 121 -5.777 13.040 -18.814 1.00 -0.39 O HETATM 1903 N ARG A 121 -5.192 13.496 -16.678 1.00 -0.26 N HETATM 1904 CA ARG A 121 -3.760 13.620 -16.934 1.00 0.14 C HETATM 1905 C ARG A 121 -3.179 12.282 -17.372 1.00 0.20 C HETATM 1906 O ARG A 121 -2.309 12.219 -18.242 1.00 -0.39 O HETATM 1907 N ARG A 121 -3.664 11.213 -16.749 1.00 -0.27 N HETATM 1908 CA ARG A 121 -3.271 9.853 -17.103 1.00 0.10 C HETATM 1909 C ARG A 121 -4.384 9.172 -17.920 1.00 0.06 C HETATM 1910 O ARG A 121 -4.354 7.968 -18.183 1.00 -0.57 O HETATM 1911 OXT ARG A 121 -5.363 9.798 -18.330 1.00 -0.57 O HETATM 1912 CB ARG A 121 -2.964 9.035 -15.842 1.00 -0.01 C HETATM 1913 CG ARG A 121 -1.479 8.858 -15.526 1.00 -0.00 C HETATM 1914 SD ARG A 121 -0.557 10.400 -15.333 1.00 -0.16 S HETATM 1915 CE ARG A 121 -1.286 11.081 -13.836 1.00 -0.02 C HETATM 1916 H67 ARG A 121 -0.806 12.042 -13.599 1.00 0.03 H HETATM 1917 H68 ARG A 121 -1.134 10.380 -13.002 1.00 0.03 H HETATM 1918 H69 ARG A 121 -2.364 11.238 -13.992 1.00 0.03 H HETATM 1919 H65 ARG A 121 -1.020 8.285 -16.346 1.00 0.04 H HETATM 1920 H66 ARG A 121 -1.394 8.289 -14.589 1.00 0.04 H HETATM 1921 H63 ARG A 121 -3.406 8.036 -15.969 1.00 0.03 H HETATM 1922 H64 ARG A 121 -3.436 9.539 -14.986 1.00 0.03 H HETATM 1923 H62 ARG A 121 -2.361 9.901 -17.720 1.00 0.07 H HETATM 1924 H61 ARG A 121 -4.324 11.346 -16.009 1.00 0.19 H HETATM 1925 CB ARG A 121 -3.042 14.126 -15.673 1.00 0.04 C HETATM 1926 CG ARG A 121 -3.590 15.464 -15.181 1.00 0.04 C HETATM 1927 OD1 ARG A 121 -4.031 16.275 -16.023 1.00 -0.57 O HETATM 1928 OD2 ARG A 121 -3.571 15.709 -13.954 1.00 -0.57 O HETATM 1929 H59 ARG A 121 -1.973 14.246 -15.901 1.00 0.05 H HETATM 1930 H60 ARG A 121 -3.165 13.380 -14.874 1.00 0.05 H HETATM 1931 H58 ARG A 121 -3.609 14.350 -17.743 1.00 0.08 H HETATM 1932 H57 ARG A 121 -5.525 13.642 -15.746 1.00 0.19 H HETATM 1933 CB ARG A 121 -7.765 11.591 -16.781 1.00 0.09 C HETATM 1934 OG1 ARG A 121 -7.824 10.788 -17.966 1.00 -0.39 O HETATM 1935 H53 ARG A 121 -7.000 10.855 -18.434 1.00 0.21 H HETATM 1936 CG2 ARG A 121 -9.056 11.448 -16.019 1.00 -0.03 C HETATM 1937 H54 ARG A 121 -9.215 10.390 -15.762 1.00 0.03 H HETATM 1938 H55 ARG A 121 -9.890 11.804 -16.641 1.00 0.03 H HETATM 1939 H56 ARG A 121 -9.006 12.046 -15.097 1.00 0.03 H HETATM 1940 H52 ARG A 121 -6.937 11.239 -16.149 1.00 0.06 H HETATM 1941 H51 ARG A 121 -7.653 13.676 -16.256 1.00 0.08 H HETATM 1942 H50 ARG A 121 -9.054 12.878 -18.612 1.00 0.19 H HETATM 1943 CB ARG A 121 -8.662 15.608 -20.904 1.00 0.00 C HETATM 1944 CG ARG A 121 -7.672 14.580 -21.394 1.00 0.04 C HETATM 1945 CD ARG A 121 -8.355 13.319 -21.845 1.00 0.17 C HETATM 1946 OE1 ARG A 121 -9.292 13.370 -22.634 1.00 -0.40 O HETATM 1947 NE2 ARG A 121 -7.914 12.178 -21.320 1.00 -0.30 N HETATM 1948 H48 ARG A 121 -8.334 11.310 -21.586 1.00 0.18 H HETATM 1949 H49 ARG A 121 -7.163 12.189 -20.660 1.00 0.18 H HETATM 1950 H46 ARG A 121 -6.978 14.336 -20.576 1.00 0.05 H HETATM 1951 H47 ARG A 121 -7.109 15.002 -22.239 1.00 0.05 H HETATM 1952 H44 ARG A 121 -8.115 16.534 -20.674 1.00 0.03 H HETATM 1953 H45 ARG A 121 -9.387 15.801 -21.708 1.00 0.03 H HETATM 1954 H43 ARG A 121 -10.045 14.302 -19.903 1.00 0.08 H HETATM 1955 H42 ARG A 121 -9.939 16.942 -18.592 1.00 0.19 H HETATM 1956 CB ARG A 121 -13.037 16.901 -17.658 1.00 0.09 C HETATM 1957 OG1 ARG A 121 -13.599 15.603 -17.877 1.00 -0.39 O HETATM 1958 H38 ARG A 121 -12.913 15.004 -18.148 1.00 0.21 H HETATM 1959 CG2 ARG A 121 -14.128 17.852 -17.170 1.00 -0.03 C HETATM 1960 H39 ARG A 121 -14.567 17.461 -16.240 1.00 0.03 H HETATM 1961 H40 ARG A 121 -14.911 17.936 -17.938 1.00 0.03 H HETATM 1962 H41 ARG A 121 -13.692 18.844 -16.980 1.00 0.03 H HETATM 1963 H37 ARG A 121 -12.258 16.830 -16.885 1.00 0.06 H HETATM 1964 H36 ARG A 121 -11.755 18.278 -18.724 1.00 0.08 H HETATM 1965 H35 ARG A 121 -13.911 17.102 -20.419 1.00 0.19 H HETATM 1966 CB ARG A 121 -13.368 19.241 -22.729 1.00 0.09 C HETATM 1967 OG1 ARG A 121 -12.418 20.304 -22.599 1.00 -0.39 O HETATM 1968 H31 ARG A 121 -11.947 20.207 -21.780 1.00 0.21 H HETATM 1969 CG2 ARG A 121 -14.090 19.355 -24.055 1.00 -0.03 C HETATM 1970 H32 ARG A 121 -13.359 19.307 -24.876 1.00 0.03 H HETATM 1971 H33 ARG A 121 -14.628 20.314 -24.098 1.00 0.03 H HETATM 1972 H34 ARG A 121 -14.807 18.527 -24.154 1.00 0.03 H HETATM 1973 H30 ARG A 121 -12.838 18.278 -22.698 1.00 0.06 H HETATM 1974 H29 ARG A 121 -15.097 18.503 -21.675 1.00 0.08 H HETATM 1975 H28 ARG A 121 -14.543 21.413 -21.660 1.00 0.19 H HETATM 1976 CB ARG A 121 -16.477 22.596 -19.640 1.00 0.09 C HETATM 1977 OG1 ARG A 121 -17.343 22.084 -18.620 1.00 -0.39 O HETATM 1978 H24 ARG A 121 -17.082 22.437 -17.778 1.00 0.21 H HETATM 1979 CG2 ARG A 121 -16.551 24.101 -19.652 1.00 -0.03 C HETATM 1980 H25 ARG A 121 -16.253 24.491 -18.668 1.00 0.03 H HETATM 1981 H26 ARG A 121 -17.581 24.416 -19.874 1.00 0.03 H HETATM 1982 H27 ARG A 121 -15.873 24.495 -20.423 1.00 0.03 H HETATM 1983 H23 ARG A 121 -15.443 22.289 -19.424 1.00 0.06 H HETATM 1984 H22 ARG A 121 -16.455 22.668 -21.791 1.00 0.08 H HETATM 1985 H21 ARG A 121 -18.876 21.280 -20.791 1.00 0.19 H HETATM 1986 CB ARG A 121 -20.770 22.442 -23.462 1.00 0.08 C HETATM 1987 OG ARG A 121 -22.171 22.314 -23.636 1.00 -0.39 O HETATM 1988 H20 ARG A 121 -22.505 21.659 -23.034 1.00 0.21 H HETATM 1989 H18 ARG A 121 -20.291 21.474 -23.669 1.00 0.06 H HETATM 1990 H19 ARG A 121 -20.387 23.198 -24.163 1.00 0.06 H HETATM 1991 H17 ARG A 121 -20.818 22.102 -21.341 1.00 0.08 H HETATM 1992 H16 ARG A 121 -21.038 24.880 -22.384 1.00 0.19 H HETATM 1993 CB ARG A 121 -21.139 26.675 -19.869 1.00 0.01 C HETATM 1994 CG ARG A 121 -20.483 26.230 -18.588 1.00 -0.01 C HETATM 1995 CD ARG A 121 -19.495 27.251 -18.046 1.00 0.06 C HETATM 1996 NE ARG A 121 -18.566 26.640 -17.087 1.00 -0.27 N HETATM 1997 CZ ARG A 121 -17.265 26.437 -17.299 1.00 0.29 C HETATM 1998 NH1 ARG A 121 -16.694 26.818 -18.436 1.00 -0.28 N HETATM 1999 H12 ARG A 121 -15.688 26.655 -18.587 1.00 0.26 H HETATM 2000 H13 ARG A 121 -17.257 27.276 -19.167 1.00 0.26 H HETATM 2001 NH2 ARG A 121 -16.521 25.865 -16.356 1.00 -0.28 N HETATM 2002 H14 ARG A 121 -16.953 25.566 -15.470 1.00 0.26 H HETATM 2003 H15 ARG A 121 -15.513 25.722 -16.512 1.00 0.26 H HETATM 2004 H11 ARG A 121 -18.950 26.345 -16.178 1.00 0.26 H HETATM 2005 H9 ARG A 121 -20.051 28.055 -17.543 1.00 0.07 H HETATM 2006 H10 ARG A 121 -18.919 27.672 -18.884 1.00 0.07 H HETATM 2007 H7 ARG A 121 -19.947 25.288 -18.776 1.00 0.03 H HETATM 2008 H8 ARG A 121 -21.265 26.062 -17.833 1.00 0.03 H HETATM 2009 H5 ARG A 121 -21.574 27.673 -19.709 1.00 0.03 H HETATM 2010 H6 ARG A 121 -20.369 26.731 -20.653 1.00 0.03 H HETATM 2011 H4 ARG A 121 -22.636 26.105 -21.306 1.00 0.11 H HETATM 2012 H1 ARG A 121 -23.701 26.640 -19.262 1.00 0.20 H HETATM 2013 H2 ARG A 121 -23.012 25.349 -18.508 1.00 0.20 H HETATM 2014 H3 ARG A 121 -24.080 25.111 -19.738 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 878 879 886 887 888 CONECT 886 878 CONECT 887 878 CONECT 888 878 CONECT 1875 1876 2012 2013 2014 CONECT 1876 1875 1877 1993 2011 CONECT 1877 1876 1878 1879 CONECT 1878 1877 CONECT 1879 1877 1880 1992 CONECT 1880 1879 1881 1986 1991 CONECT 1881 1880 1882 1883 CONECT 1882 1881 CONECT 1883 1881 1884 1985 CONECT 1884 1883 1885 1976 1984 CONECT 1885 1884 1886 1887 CONECT 1886 1885 CONECT 1887 1885 1888 1975 CONECT 1888 1887 1889 1966 1974 CONECT 1889 1888 1890 1891 CONECT 1890 1889 CONECT 1891 1889 1892 1965 CONECT 1892 1891 1893 1956 1964 CONECT 1893 1892 1894 1895 CONECT 1894 1893 CONECT 1895 1893 1896 1955 CONECT 1896 1895 1897 1943 1954 CONECT 1897 1896 1898 1899 CONECT 1898 1897 CONECT 1899 1897 1900 1942 CONECT 1900 1899 1901 1933 1941 CONECT 1901 1900 1902 1903 CONECT 1902 1901 CONECT 1903 1901 1904 1932 CONECT 1904 1903 1905 1925 1931 CONECT 1905 1904 1906 1907 CONECT 1906 1905 CONECT 1907 1905 1908 1924 CONECT 1908 1907 1909 1912 1923 CONECT 1909 1908 1910 1911 CONECT 1910 1909 CONECT 1911 1909 CONECT 1912 1908 1913 1921 1922 CONECT 1913 1912 1914 1919 1920 CONECT 1914 1913 1915 CONECT 1915 1914 1916 1917 1918 CONECT 1916 1915 CONECT 1917 1915 CONECT 1918 1915 CONECT 1919 1913 CONECT 1920 1913 CONECT 1921 1912 CONECT 1922 1912 CONECT 1923 1908 CONECT 1924 1907 CONECT 1925 1904 1926 1929 1930 CONECT 1926 1925 1927 1928 CONECT 1927 1926 CONECT 1928 1926 CONECT 1929 1925 CONECT 1930 1925 CONECT 1931 1904 CONECT 1932 1903 CONECT 1933 1900 1934 1936 1940 CONECT 1934 1933 1935 CONECT 1935 1934 CONECT 1936 1933 1937 1938 1939 CONECT 1937 1936 CONECT 1938 1936 CONECT 1939 1936 CONECT 1940 1933 CONECT 1941 1900 CONECT 1942 1899 CONECT 1943 1896 1944 1952 1953 CONECT 1944 1943 1945 1950 1951 CONECT 1945 1944 1946 1947 CONECT 1946 1945 CONECT 1947 1945 1948 1949 CONECT 1948 1947 CONECT 1949 1947 CONECT 1950 1944 CONECT 1951 1944 CONECT 1952 1943 CONECT 1953 1943 CONECT 1954 1896 CONECT 1955 1895 CONECT 1956 1892 1957 1959 1963 CONECT 1957 1956 1958 CONECT 1958 1957 CONECT 1959 1956 1960 1961 1962 CONECT 1960 1959 CONECT 1961 1959 CONECT 1962 1959 CONECT 1963 1956 CONECT 1964 1892 CONECT 1965 1891 CONECT 1966 1888 1967 1969 1973 CONECT 1967 1966 1968 CONECT 1968 1967 CONECT 1969 1966 1970 1971 1972 CONECT 1970 1969 CONECT 1971 1969 CONECT 1972 1969 CONECT 1973 1966 CONECT 1974 1888 CONECT 1975 1887 CONECT 1976 1884 1977 1979 1983 CONECT 1977 1976 1978 CONECT 1978 1977 CONECT 1979 1976 1980 1981 1982 CONECT 1980 1979 CONECT 1981 1979 CONECT 1982 1979 CONECT 1983 1976 CONECT 1984 1884 CONECT 1985 1883 CONECT 1986 1880 1987 1989 1990 CONECT 1987 1986 1988 CONECT 1988 1987 CONECT 1989 1986 CONECT 1990 1986 CONECT 1991 1880 CONECT 1992 1879 CONECT 1993 1876 1994 2009 2010 CONECT 1994 1993 1995 2007 2008 CONECT 1995 1994 1996 2005 2006 CONECT 1996 1995 1997 2004 CONECT 1997 1996 1998 2001 CONECT 1998 1997 1999 2000 CONECT 1999 1998 CONECT 2000 1998 CONECT 2001 1997 2002 2003 CONECT 2002 2001 CONECT 2003 2001 CONECT 2004 1996 CONECT 2005 1995 CONECT 2006 1995 CONECT 2007 1994 CONECT 2008 1994 CONECT 2009 1993 CONECT 2010 1993 CONECT 2011 1876 CONECT 2012 1875 CONECT 2013 1875 CONECT 2014 1875 MASTER 0 0 0 0 0 0 0 0 2012 2 148 14 END
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Related entries of code: 5e0m
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
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Ligand Name
1g6g
RCSB PDB
PDBbind
13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1hc9
RCSB PDB
PDBbind
13-mer
1i8h
RCSB PDB
PDBbind
13-mer
1j4p
RCSB PDB
PDBbind
13-mer
1j4q
RCSB PDB
PDBbind
13-mer
1juq
RCSB PDB
PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1oeb
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2v87
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxe
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
5e0m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
dimeric hub protein, LC8
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=5.2uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochemistry Vol. 55: pp. 199-209
Ligand Properties
Formula
C
3
9
H
7
1
N
1
3
O
1
8
S
Molecular Weight
1042.120
Exact Mass
1041.480
No. of atoms
142
No. of bonds
141
Polar Surface Area
570.59
LOGP Value
-6.70 (
Computed with XLOGP3
)
-7.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 45
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 0
Canonical SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CO)CCC(=O)N)CC(=O)O
InChI String
InChI=1S/C39H69N13O18S/c1-15(54)26(35(66)47-22(13-25(59)60)32(63)46-21(38(69)70)10-12-71-5)49-31(62)20(8-9-24(41)58)45-34(65)27(16(2)55)51-37(68)29(18(4)57)52-36(67)28(17(3)56)50-33(64)23(14-53)48-30(61)19(40)7-6-11-44-39(42)43/h15-23,26-29,53-57H,6-14,40H2,1-5H3,(H2,41,58)(H,45,65)(H,46,63)(H,47,66)(H,48,61)(H,49,62)(H,50,64)(H,51,68)(H,52,67)(H,59,60)(H,69,70)(H4,42,43,44)/p+2/t15-,16-,17-,18-,19+,20+,21+,22+,23+,26+,27+,28+,29+/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):
Q24117
Q9H4H8
Entrez Gene ID
NCBI Entrez Gene ID:
31405
81610
ASD
Information of known allosteric effects of PDB entries
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