Browse entries in the PDBbind-CN Database
HEADER 5E0L_COMPLEX COMPND 5E0L_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 LYS A 292 161 ATOM 1 N ASP A 3 -2.908 11.667 4.240 1.00 95.86 N ATOM 2 CA ASP A 3 -4.109 11.321 3.494 1.00 89.19 C ATOM 3 C ASP A 3 -3.992 11.810 2.054 1.00 83.44 C ATOM 4 O ASP A 3 -2.907 12.138 1.574 1.00 82.67 O ATOM 5 CB ASP A 3 -5.352 11.946 4.135 1.00 89.61 C ATOM 6 CG ASP A 3 -5.193 12.167 5.619 1.00 96.25 C ATOM 7 OD1 ASP A 3 -4.255 11.586 6.204 1.00100.09 O ATOM 8 OD2 ASP A 3 -6.008 12.919 6.197 1.00 96.15 O ATOM 9 HN3 ASP A 3 -2.786 12.700 4.239 1.00 0.00 H ATOM 10 HN2 ASP A 3 -2.083 11.219 3.793 1.00 0.00 H ATOM 11 HN1 ASP A 3 -3.000 11.329 5.219 1.00 0.00 H ATOM 12 N ARG A 4 -5.128 11.879 1.378 1.00 61.04 N ATOM 13 CA ARG A 4 -5.125 12.184 -0.039 1.00 53.31 C ATOM 14 C ARG A 4 -5.097 13.676 -0.327 1.00 48.44 C ATOM 15 O ARG A 4 -5.679 14.503 0.401 1.00 51.14 O ATOM 16 CB ARG A 4 -6.335 11.551 -0.717 1.00 52.86 C ATOM 17 CG ARG A 4 -6.259 10.030 -0.840 1.00 61.69 C ATOM 18 CD ARG A 4 -7.526 9.474 -1.494 1.00 60.97 C ATOM 19 NE ARG A 4 -7.484 8.019 -1.625 1.00 67.24 N ATOM 20 CZ ARG A 4 -7.905 7.163 -0.694 1.00 63.77 C ATOM 21 NH1 ARG A 4 -8.414 7.600 0.452 1.00 63.74 N ATOM 22 NH2 ARG A 4 -7.817 5.856 -0.914 1.00 70.00 N ATOM 23 HE ARG A 4 -7.099 7.624 -2.506 1.00 0.00 H ATOM 24 HH12 ARG A 4 -8.739 6.921 1.169 1.00 0.00 H ATOM 25 HH11 ARG A 4 -8.488 8.622 0.632 1.00 0.00 H ATOM 26 HH22 ARG A 4 -8.144 5.184 -0.191 1.00 0.00 H ATOM 27 HH21 ARG A 4 -7.421 5.505 -1.809 1.00 0.00 H ATOM 28 H ARG A 4 -6.030 11.713 1.868 1.00 0.00 H ATOM 29 N LYS A 5 -4.397 14.017 -1.403 1.00 39.48 N ATOM 30 CA LYS A 5 -4.206 15.392 -1.814 1.00 37.90 C ATOM 31 C LYS A 5 -5.305 15.804 -2.764 1.00 35.22 C ATOM 32 O LYS A 5 -5.576 15.107 -3.740 1.00 33.04 O ATOM 33 CB LYS A 5 -2.832 15.552 -2.473 1.00 41.47 C ATOM 34 CG LYS A 5 -2.463 16.975 -2.854 1.00 51.24 C ATOM 35 CD LYS A 5 -1.293 16.947 -3.826 1.00 56.07 C ATOM 36 CE LYS A 5 -0.723 18.315 -4.079 1.00 56.88 C ATOM 37 NZ LYS A 5 0.595 18.207 -4.770 1.00 63.52 N ATOM 38 HZ1 LYS A 5 1.255 17.669 -4.173 1.00 0.00 H ATOM 39 HZ2 LYS A 5 0.469 17.717 -5.679 1.00 0.00 H ATOM 40 HZ3 LYS A 5 0.976 19.160 -4.938 1.00 0.00 H ATOM 41 H LYS A 5 -3.967 13.263 -1.976 1.00 0.00 H ATOM 42 N ALA A 6 -5.982 16.904 -2.454 1.00 35.62 N ATOM 43 CA ALA A 6 -7.026 17.424 -3.308 1.00 33.58 C ATOM 44 C ALA A 6 -6.422 18.474 -4.222 1.00 33.87 C ATOM 45 O ALA A 6 -5.742 19.382 -3.775 1.00 36.15 O ATOM 46 CB ALA A 6 -8.149 18.022 -2.451 1.00 35.32 C ATOM 47 H ALA A 6 -5.754 17.405 -1.572 1.00 0.00 H ATOM 48 N VAL A 7 -6.692 18.326 -5.520 1.00 31.77 N ATOM 49 CA VAL A 7 -6.256 19.276 -6.534 1.00 31.98 C ATOM 50 C VAL A 7 -7.471 19.585 -7.426 1.00 30.03 C ATOM 51 O VAL A 7 -7.875 18.764 -8.257 1.00 29.66 O ATOM 52 CB VAL A 7 -5.091 18.702 -7.371 1.00 38.16 C ATOM 53 CG1 VAL A 7 -4.634 19.709 -8.398 1.00 40.15 C ATOM 54 CG2 VAL A 7 -3.932 18.270 -6.473 1.00 39.39 C ATOM 55 H VAL A 7 -7.239 17.494 -5.822 1.00 0.00 H ATOM 56 N ILE A 8 -8.050 20.771 -7.244 1.00 34.99 N ATOM 57 CA ILE A 8 -9.207 21.180 -8.037 1.00 34.11 C ATOM 58 C ILE A 8 -8.690 21.709 -9.359 1.00 30.90 C ATOM 59 O ILE A 8 -7.844 22.596 -9.383 1.00 35.39 O ATOM 60 CB ILE A 8 -10.090 22.191 -7.275 1.00 35.53 C ATOM 61 CG1 ILE A 8 -10.574 21.568 -5.936 1.00 40.25 C ATOM 62 CG2 ILE A 8 -11.265 22.610 -8.135 1.00 35.07 C ATOM 63 CD1 ILE A 8 -11.330 22.548 -5.054 1.00 37.60 C ATOM 64 H ILE A 8 -7.671 21.418 -6.524 1.00 0.00 H ATOM 65 N LYS A 9 -9.163 21.112 -10.444 1.00 30.01 N ATOM 66 CA LYS A 9 -8.645 21.428 -11.754 1.00 31.71 C ATOM 67 C LYS A 9 -9.502 22.461 -12.464 1.00 42.46 C ATOM 68 O LYS A 9 -8.994 23.325 -13.153 1.00 37.28 O ATOM 69 CB LYS A 9 -8.618 20.143 -12.591 1.00 34.04 C ATOM 70 CG LYS A 9 -7.624 19.106 -12.141 1.00 37.97 C ATOM 71 CD LYS A 9 -6.188 19.494 -12.370 1.00 45.86 C ATOM 72 CE LYS A 9 -5.262 18.413 -11.813 1.00 49.54 C ATOM 73 NZ LYS A 9 -3.826 18.750 -12.025 1.00 51.82 N ATOM 74 HZ1 LYS A 9 -3.640 18.846 -13.044 1.00 0.00 H ATOM 75 HZ2 LYS A 9 -3.607 19.647 -11.546 1.00 0.00 H ATOM 76 HZ3 LYS A 9 -3.232 17.992 -11.633 1.00 0.00 H ATOM 77 H LYS A 9 -9.919 20.405 -10.350 1.00 0.00 H ATOM 78 N ASN A 10 -10.811 22.314 -12.329 1.00 30.23 N ATOM 79 CA ASN A 10 -11.752 23.227 -12.961 1.00 34.40 C ATOM 80 C ASN A 10 -13.029 23.260 -12.144 1.00 35.58 C ATOM 81 O ASN A 10 -13.618 22.227 -11.856 1.00 36.09 O ATOM 82 CB ASN A 10 -12.059 22.740 -14.387 1.00 35.93 C ATOM 83 CG ASN A 10 -12.946 23.709 -15.187 1.00 36.10 C ATOM 84 OD1 ASN A 10 -13.293 24.793 -14.744 1.00 42.74 O ATOM 85 ND2 ASN A 10 -13.292 23.301 -16.396 1.00 37.66 N ATOM 86 HD22 ASN A 10 -12.978 22.371 -16.741 1.00 0.00 H ATOM 87 HD21 ASN A 10 -13.878 23.910 -17.002 1.00 0.00 H ATOM 88 H ASN A 10 -11.176 21.526 -11.757 1.00 0.00 H ATOM 89 N ALA A 11 -13.443 24.452 -11.738 1.00 33.66 N ATOM 90 CA ALA A 11 -14.639 24.588 -10.910 1.00 38.39 C ATOM 91 C ALA A 11 -15.489 25.759 -11.382 1.00 41.34 C ATOM 92 O ALA A 11 -14.979 26.836 -11.722 1.00 41.89 O ATOM 93 CB ALA A 11 -14.274 24.760 -9.410 1.00 42.16 C ATOM 94 H ALA A 11 -12.909 25.301 -12.012 1.00 0.00 H ATOM 95 N ASP A 12 -16.791 25.513 -11.411 1.00 32.67 N ATOM 96 CA ASP A 12 -17.797 26.538 -11.527 1.00 32.49 C ATOM 97 C ASP A 12 -18.759 26.266 -10.404 1.00 38.68 C ATOM 98 O ASP A 12 -19.757 25.573 -10.584 1.00 34.70 O ATOM 99 CB ASP A 12 -18.523 26.482 -12.877 1.00 41.91 C ATOM 100 CG ASP A 12 -19.590 27.557 -12.999 1.00 42.04 C ATOM 101 OD1 ASP A 12 -19.518 28.566 -12.265 1.00 43.01 O ATOM 102 OD2 ASP A 12 -20.522 27.402 -13.808 1.00 49.29 O ATOM 103 H ASP A 12 -17.105 24.523 -11.346 1.00 0.00 H ATOM 104 N MET A 13 -18.426 26.784 -9.231 1.00 39.16 N ATOM 105 CA MET A 13 -19.043 26.323 -7.999 1.00 36.72 C ATOM 106 C MET A 13 -18.567 27.162 -6.825 1.00 44.19 C ATOM 107 O MET A 13 -17.407 27.554 -6.777 1.00 44.02 O ATOM 108 CB MET A 13 -18.632 24.862 -7.797 1.00 42.62 C ATOM 109 CG MET A 13 -19.197 24.205 -6.611 1.00 46.31 C ATOM 110 SD MET A 13 -18.758 22.445 -6.435 1.00 32.30 S ATOM 111 CE MET A 13 -19.819 21.697 -7.663 1.00 33.76 C ATOM 112 H MET A 13 -17.708 27.536 -9.191 1.00 0.00 H ATOM 113 N SER A 14 -19.453 27.442 -5.873 1.00 40.20 N ATOM 114 CA SER A 14 -19.056 28.202 -4.687 1.00 43.03 C ATOM 115 C SER A 14 -17.959 27.477 -3.905 1.00 47.29 C ATOM 116 O SER A 14 -17.837 26.249 -3.961 1.00 40.78 O ATOM 117 CB SER A 14 -20.249 28.424 -3.759 1.00 45.46 C ATOM 118 OG SER A 14 -20.579 27.202 -3.098 1.00 44.31 O ATOM 119 HG SER A 14 -19.802 26.895 -2.567 1.00 0.00 H ATOM 120 H SER A 14 -20.436 27.118 -5.972 1.00 0.00 H ATOM 121 N GLU A 15 -17.178 28.253 -3.151 1.00 47.91 N ATOM 122 CA GLU A 15 -16.084 27.710 -2.345 1.00 50.00 C ATOM 123 C GLU A 15 -16.595 26.686 -1.349 1.00 49.54 C ATOM 124 O GLU A 15 -15.981 25.629 -1.160 1.00 45.54 O ATOM 125 CB GLU A 15 -15.374 28.837 -1.579 1.00 55.16 C ATOM 126 CG GLU A 15 -14.414 29.652 -2.418 1.00 69.79 C ATOM 127 CD GLU A 15 -13.257 28.815 -2.938 1.00 78.31 C ATOM 128 OE1 GLU A 15 -12.879 27.840 -2.248 1.00 82.69 O ATOM 129 OE2 GLU A 15 -12.737 29.124 -4.035 1.00 74.73 O ATOM 130 H GLU A 15 -17.353 29.278 -3.136 1.00 0.00 H ATOM 131 N GLU A 16 -17.701 27.021 -0.682 1.00 50.44 N ATOM 132 CA GLU A 16 -18.310 26.093 0.266 1.00 46.92 C ATOM 133 C GLU A 16 -18.677 24.775 -0.412 1.00 43.58 C ATOM 134 O GLU A 16 -18.416 23.698 0.121 1.00 43.32 O ATOM 135 CB GLU A 16 -19.556 26.704 0.919 1.00 53.86 C ATOM 136 CG GLU A 16 -20.279 25.727 1.856 1.00 60.99 C ATOM 137 CD GLU A 16 -21.156 26.411 2.901 1.00 74.31 C ATOM 138 OE1 GLU A 16 -21.426 27.625 2.762 1.00 83.41 O ATOM 139 OE2 GLU A 16 -21.576 25.729 3.866 1.00 77.21 O ATOM 140 H GLU A 16 -18.134 27.953 -0.839 1.00 0.00 H ATOM 141 N MET A 17 -19.264 24.840 -1.605 1.00 41.85 N ATOM 142 CA MET A 17 -19.700 23.625 -2.271 1.00 39.05 C ATOM 143 C MET A 17 -18.505 22.820 -2.761 1.00 36.54 C ATOM 144 O MET A 17 -18.496 21.610 -2.676 1.00 35.78 O ATOM 145 CB MET A 17 -20.625 23.953 -3.436 1.00 40.77 C ATOM 146 CG MET A 17 -21.963 24.450 -2.972 1.00 41.64 C ATOM 147 SD MET A 17 -23.149 24.804 -4.277 1.00 46.83 S ATOM 148 CE MET A 17 -23.373 23.195 -5.016 1.00 37.07 C ATOM 149 H MET A 17 -19.411 25.763 -2.061 1.00 0.00 H ATOM 150 N GLN A 18 -17.476 23.515 -3.244 1.00 36.47 N ATOM 151 CA GLN A 18 -16.240 22.824 -3.598 1.00 34.73 C ATOM 152 C GLN A 18 -15.692 22.076 -2.381 1.00 35.53 C ATOM 153 O GLN A 18 -15.261 20.929 -2.502 1.00 34.33 O ATOM 154 CB GLN A 18 -15.187 23.793 -4.122 1.00 35.34 C ATOM 155 CG GLN A 18 -15.543 24.490 -5.447 1.00 40.85 C ATOM 156 CD GLN A 18 -14.429 25.374 -5.908 1.00 48.61 C ATOM 157 OE1 GLN A 18 -13.267 24.973 -5.849 1.00 56.56 O ATOM 158 NE2 GLN A 18 -14.762 26.567 -6.376 1.00 50.28 N ATOM 159 HE22 GLN A 18 -15.761 26.855 -6.403 1.00 0.00 H ATOM 160 HE21 GLN A 18 -14.025 27.216 -6.717 1.00 0.00 H ATOM 161 H GLN A 18 -17.553 24.545 -3.368 1.00 0.00 H ATOM 162 N GLN A 19 -15.684 22.718 -1.218 1.00 38.34 N ATOM 163 CA GLN A 19 -15.194 22.015 -0.044 1.00 39.46 C ATOM 164 C GLN A 19 -16.068 20.811 0.301 1.00 38.60 C ATOM 165 O GLN A 19 -15.541 19.766 0.654 1.00 38.03 O ATOM 166 CB GLN A 19 -15.075 22.946 1.169 1.00 43.06 C ATOM 167 CG GLN A 19 -14.539 22.232 2.425 1.00 44.65 C ATOM 168 CD GLN A 19 -13.076 21.821 2.315 1.00 49.59 C ATOM 169 OE1 GLN A 19 -12.183 22.669 2.324 1.00 70.40 O ATOM 170 NE2 GLN A 19 -12.823 20.520 2.247 1.00 53.25 N ATOM 171 HE22 GLN A 19 -13.608 19.837 2.242 1.00 0.00 H ATOM 172 HE21 GLN A 19 -11.840 20.183 2.199 1.00 0.00 H ATOM 173 H GLN A 19 -16.020 23.700 -1.149 1.00 0.00 H ATOM 174 N ASP A 20 -17.386 20.935 0.191 1.00 38.76 N ATOM 175 CA ASP A 20 -18.258 19.806 0.461 1.00 38.20 C ATOM 176 C ASP A 20 -17.985 18.682 -0.552 1.00 35.03 C ATOM 177 O ASP A 20 -18.052 17.514 -0.205 1.00 34.57 O ATOM 178 CB ASP A 20 -19.731 20.212 0.455 1.00 39.30 C ATOM 179 CG ASP A 20 -20.151 20.879 1.757 1.00 57.93 C ATOM 180 OD1 ASP A 20 -19.468 20.668 2.781 1.00 65.65 O ATOM 181 OD2 ASP A 20 -21.159 21.609 1.754 1.00 57.58 O ATOM 182 H ASP A 20 -17.797 21.848 -0.091 1.00 0.00 H ATOM 183 N ALA A 21 -17.671 19.006 -1.825 1.00 33.08 N ATOM 184 CA ALA A 21 -17.347 17.988 -2.785 1.00 30.47 C ATOM 185 C ALA A 21 -16.108 17.199 -2.390 1.00 30.22 C ATOM 186 O ALA A 21 -16.086 15.972 -2.479 1.00 29.11 O ATOM 187 CB ALA A 21 -17.147 18.654 -4.156 1.00 29.66 C ATOM 188 H ALA A 21 -17.664 20.005 -2.114 1.00 0.00 H ATOM 189 N VAL A 22 -15.066 17.899 -1.971 1.00 31.51 N ATOM 190 CA VAL A 22 -13.854 17.216 -1.546 1.00 31.79 C ATOM 191 C VAL A 22 -14.137 16.347 -0.317 1.00 33.16 C ATOM 192 O VAL A 22 -13.679 15.225 -0.222 1.00 32.64 O ATOM 193 CB VAL A 22 -12.746 18.251 -1.265 1.00 33.49 C ATOM 194 CG1 VAL A 22 -11.561 17.610 -0.544 1.00 34.65 C ATOM 195 CG2 VAL A 22 -12.337 18.933 -2.558 1.00 32.70 C ATOM 196 H VAL A 22 -15.114 18.938 -1.946 1.00 0.00 H ATOM 197 N ASP A 23 -14.863 16.902 0.656 1.00 35.29 N ATOM 198 CA ASP A 23 -15.219 16.120 1.835 1.00 36.97 C ATOM 199 C ASP A 23 -16.017 14.877 1.506 1.00 35.47 C ATOM 200 O ASP A 23 -15.743 13.791 2.018 1.00 35.87 O ATOM 201 CB ASP A 23 -16.044 16.984 2.809 1.00 39.69 C ATOM 202 CG ASP A 23 -15.244 18.098 3.432 1.00 45.47 C ATOM 203 OD1 ASP A 23 -13.999 18.061 3.332 1.00 45.45 O ATOM 204 OD2 ASP A 23 -15.877 19.000 4.036 1.00 45.53 O ATOM 205 H ASP A 23 -15.175 17.891 0.574 1.00 0.00 H ATOM 206 N CYS A 24 -16.987 15.005 0.602 1.00 33.89 N ATOM 207 CA CYS A 24 -17.830 13.897 0.228 1.00 32.72 C ATOM 208 C CYS A 24 -17.005 12.802 -0.455 1.00 30.79 C ATOM 209 O CYS A 24 -17.194 11.608 -0.208 1.00 32.73 O ATOM 210 CB CYS A 24 -18.889 14.433 -0.722 1.00 39.41 C ATOM 211 SG CYS A 24 -20.257 13.370 -0.980 1.00 33.65 S ATOM 212 H CYS A 24 -17.140 15.931 0.153 1.00 0.00 H ATOM 213 N ALA A 25 -16.101 13.240 -1.344 1.00 29.35 N ATOM 214 CA ALA A 25 -15.249 12.298 -2.064 1.00 27.81 C ATOM 215 C ALA A 25 -14.284 11.594 -1.115 1.00 29.28 C ATOM 216 O ALA A 25 -14.008 10.400 -1.265 1.00 28.83 O ATOM 217 CB ALA A 25 -14.512 12.995 -3.170 1.00 27.14 C ATOM 218 H ALA A 25 -16.006 14.260 -1.522 1.00 0.00 H ATOM 219 N THR A 26 -13.828 12.315 -0.077 1.00 31.43 N ATOM 220 CA THR A 26 -12.942 11.698 0.896 1.00 33.30 C ATOM 221 C THR A 26 -13.684 10.623 1.691 1.00 34.36 C ATOM 222 O THR A 26 -13.163 9.529 1.852 1.00 36.54 O ATOM 223 CB THR A 26 -12.387 12.766 1.844 1.00 35.72 C ATOM 224 OG1 THR A 26 -11.696 13.767 1.099 1.00 38.02 O ATOM 225 CG2 THR A 26 -11.424 12.178 2.860 1.00 46.54 C ATOM 226 HG1 THR A 26 -12.321 14.191 0.459 1.00 0.00 H ATOM 227 H THR A 26 -14.108 13.311 0.030 1.00 0.00 H ATOM 228 N GLN A 27 -14.924 10.899 2.088 1.00 34.99 N ATOM 229 CA GLN A 27 -15.776 9.873 2.752 1.00 36.14 C ATOM 230 C GLN A 27 -15.981 8.674 1.853 1.00 34.21 C ATOM 231 O GLN A 27 -15.866 7.519 2.244 1.00 35.07 O ATOM 232 CB GLN A 27 -17.144 10.462 3.132 1.00 37.15 C ATOM 233 CG GLN A 27 -17.066 11.567 4.171 1.00 39.71 C ATOM 234 CD GLN A 27 -18.306 12.454 4.197 1.00 57.21 C ATOM 235 OE1 GLN A 27 -19.297 12.200 3.506 1.00 49.32 O ATOM 236 NE2 GLN A 27 -18.249 13.507 5.000 1.00 59.26 N ATOM 237 HE22 GLN A 27 -17.394 13.684 5.565 1.00 0.00 H ATOM 238 HE21 GLN A 27 -19.059 14.156 5.065 1.00 0.00 H ATOM 239 H GLN A 27 -15.307 11.853 1.931 1.00 0.00 H ATOM 240 N ALA A 28 -16.226 8.959 0.555 1.00 31.70 N ATOM 241 CA ALA A 28 -16.502 7.886 -0.408 1.00 29.98 C ATOM 242 C ALA A 28 -15.307 6.969 -0.586 1.00 33.02 C ATOM 243 O ALA A 28 -15.452 5.754 -0.643 1.00 32.08 O ATOM 244 CB ALA A 28 -16.895 8.496 -1.756 1.00 27.69 C ATOM 245 H ALA A 28 -16.219 9.949 0.235 1.00 0.00 H ATOM 246 N LEU A 29 -14.119 7.554 -0.670 1.00 29.91 N ATOM 247 CA LEU A 29 -12.905 6.763 -0.822 1.00 34.57 C ATOM 248 C LEU A 29 -12.535 5.991 0.425 1.00 32.58 C ATOM 249 O LEU A 29 -11.877 4.950 0.367 1.00 43.89 O ATOM 250 CB LEU A 29 -11.754 7.672 -1.209 1.00 38.04 C ATOM 251 CG LEU A 29 -11.859 8.153 -2.653 1.00 40.54 C ATOM 252 CD1 LEU A 29 -10.839 9.226 -2.921 1.00 42.17 C ATOM 253 CD2 LEU A 29 -11.644 7.009 -3.600 1.00 38.12 C ATOM 254 H LEU A 29 -14.054 8.591 -0.627 1.00 0.00 H ATOM 255 N GLU A 30 -12.935 6.514 1.568 1.00 34.45 N ATOM 256 CA GLU A 30 -12.711 5.791 2.805 1.00 37.24 C ATOM 257 C GLU A 30 -13.563 4.532 2.851 1.00 38.05 C ATOM 258 O GLU A 30 -13.128 3.500 3.334 1.00 40.20 O ATOM 259 CB GLU A 30 -12.994 6.701 3.991 1.00 39.45 C ATOM 260 CG GLU A 30 -11.918 7.728 4.214 1.00 48.51 C ATOM 261 CD GLU A 30 -12.169 8.544 5.461 1.00 61.57 C ATOM 262 OE1 GLU A 30 -12.974 8.092 6.308 1.00 69.29 O ATOM 263 OE2 GLU A 30 -11.569 9.633 5.587 1.00 65.00 O ATOM 264 H GLU A 30 -13.408 7.440 1.582 1.00 0.00 H ATOM 265 N LYS A 31 -14.779 4.616 2.327 1.00 36.08 N ATOM 266 CA LYS A 31 -15.729 3.533 2.397 1.00 36.62 C ATOM 267 C LYS A 31 -15.629 2.501 1.267 1.00 34.96 C ATOM 268 O LYS A 31 -15.769 1.313 1.487 1.00 36.18 O ATOM 269 CB LYS A 31 -17.124 4.145 2.441 1.00 36.48 C ATOM 270 CG LYS A 31 -18.249 3.164 2.476 1.00 44.11 C ATOM 271 CD LYS A 31 -19.516 3.836 2.971 1.00 51.64 C ATOM 272 CE LYS A 31 -20.738 3.029 2.595 1.00 58.37 C ATOM 273 NZ LYS A 31 -21.638 2.781 3.740 1.00 63.18 N ATOM 274 HZ1 LYS A 31 -21.124 2.255 4.476 1.00 0.00 H ATOM 275 HZ2 LYS A 31 -21.964 3.690 4.126 1.00 0.00 H ATOM 276 HZ3 LYS A 31 -22.457 2.224 3.422 1.00 0.00 H ATOM 277 H LYS A 31 -15.058 5.496 1.848 1.00 0.00 H ATOM 278 N TYR A 32 -15.388 2.985 0.033 1.00 32.40 N ATOM 279 CA TYR A 32 -15.505 2.157 -1.162 1.00 30.82 C ATOM 280 C TYR A 32 -14.222 2.123 -1.991 1.00 29.78 C ATOM 281 O TYR A 32 -13.493 3.113 -2.045 1.00 30.99 O ATOM 282 CB TYR A 32 -16.585 2.765 -2.031 1.00 28.98 C ATOM 283 CG TYR A 32 -18.001 2.712 -1.493 1.00 30.05 C ATOM 284 CD1 TYR A 32 -18.678 1.508 -1.405 1.00 31.20 C ATOM 285 CD2 TYR A 32 -18.693 3.876 -1.230 1.00 32.74 C ATOM 286 CE1 TYR A 32 -19.993 1.443 -0.972 1.00 33.99 C ATOM 287 CE2 TYR A 32 -20.003 3.831 -0.793 1.00 44.67 C ATOM 288 CZ TYR A 32 -20.649 2.605 -0.661 1.00 45.23 C ATOM 289 OH TYR A 32 -21.961 2.559 -0.236 1.00 50.21 O ATOM 290 HH TYR A 32 -22.262 1.617 -0.198 1.00 0.00 H ATOM 291 H TYR A 32 -15.109 3.982 -0.071 1.00 0.00 H ATOM 292 N ASN A 33 -13.988 0.994 -2.673 1.00 31.06 N ATOM 293 CA ASN A 33 -12.819 0.873 -3.572 1.00 30.86 C ATOM 294 C ASN A 33 -13.162 0.913 -5.069 1.00 28.93 C ATOM 295 O ASN A 33 -12.277 1.124 -5.885 1.00 33.75 O ATOM 296 CB ASN A 33 -12.050 -0.408 -3.275 1.00 30.73 C ATOM 297 CG ASN A 33 -11.474 -0.409 -1.898 1.00 33.13 C ATOM 298 OD1 ASN A 33 -10.831 0.560 -1.493 1.00 38.43 O ATOM 299 ND2 ASN A 33 -11.723 -1.476 -1.155 1.00 36.33 N ATOM 300 HD22 ASN A 33 -12.272 -2.267 -1.548 1.00 0.00 H ATOM 301 HD21 ASN A 33 -11.370 -1.523 -0.178 1.00 0.00 H ATOM 302 H ASN A 33 -14.639 0.189 -2.569 1.00 0.00 H ATOM 303 N ILE A 34 -14.416 0.601 -5.382 1.00 26.55 N ATOM 304 CA ILE A 34 -14.836 0.511 -6.793 1.00 24.44 C ATOM 305 C ILE A 34 -15.343 1.863 -7.241 1.00 23.44 C ATOM 306 O ILE A 34 -16.193 2.489 -6.579 1.00 24.30 O ATOM 307 CB ILE A 34 -15.906 -0.586 -6.985 1.00 25.07 C ATOM 308 CG1 ILE A 34 -15.479 -1.901 -6.307 1.00 35.21 C ATOM 309 CG2 ILE A 34 -16.176 -0.812 -8.461 1.00 25.03 C ATOM 310 CD1 ILE A 34 -14.197 -2.496 -6.866 1.00 37.39 C ATOM 311 H ILE A 34 -15.106 0.419 -4.626 1.00 0.00 H ATOM 312 N GLU A 35 -14.859 2.304 -8.395 1.00 22.08 N ATOM 313 CA GLU A 35 -15.141 3.657 -8.864 1.00 21.51 C ATOM 314 C GLU A 35 -16.628 3.978 -8.958 1.00 20.95 C ATOM 315 O GLU A 35 -17.044 5.074 -8.557 1.00 21.88 O ATOM 316 CB GLU A 35 -14.432 3.933 -10.187 1.00 21.97 C ATOM 317 CG GLU A 35 -12.929 4.001 -10.028 1.00 23.61 C ATOM 318 CD GLU A 35 -12.135 3.839 -11.303 1.00 23.38 C ATOM 319 OE1 GLU A 35 -12.669 3.353 -12.320 1.00 24.13 O ATOM 320 OE2 GLU A 35 -10.927 4.233 -11.278 1.00 23.83 O ATOM 321 H GLU A 35 -14.268 1.675 -8.975 1.00 0.00 H ATOM 322 N LYS A 36 -17.446 3.061 -9.457 1.00 21.04 N ATOM 323 CA LYS A 36 -18.881 3.347 -9.589 1.00 22.93 C ATOM 324 C LYS A 36 -19.556 3.523 -8.233 1.00 23.42 C ATOM 325 O LYS A 36 -20.529 4.249 -8.114 1.00 22.51 O ATOM 326 CB LYS A 36 -19.636 2.255 -10.381 1.00 22.88 C ATOM 327 CG LYS A 36 -19.533 0.842 -9.866 1.00 26.70 C ATOM 328 CD LYS A 36 -20.602 -0.047 -10.472 1.00 31.50 C ATOM 329 CE LYS A 36 -20.437 -1.475 -10.024 1.00 40.55 C ATOM 330 NZ LYS A 36 -21.462 -2.332 -10.653 1.00 51.42 N ATOM 331 HZ1 LYS A 36 -22.408 -1.997 -10.379 1.00 0.00 H ATOM 332 HZ2 LYS A 36 -21.363 -2.287 -11.687 1.00 0.00 H ATOM 333 HZ3 LYS A 36 -21.335 -3.314 -10.334 1.00 0.00 H ATOM 334 H LYS A 36 -17.071 2.138 -9.755 1.00 0.00 H ATOM 335 N ASP A 37 -19.017 2.866 -7.205 1.00 22.50 N ATOM 336 CA ASP A 37 -19.600 2.967 -5.857 1.00 24.16 C ATOM 337 C ASP A 37 -19.186 4.283 -5.236 1.00 24.11 C ATOM 338 O ASP A 37 -19.996 4.942 -4.523 1.00 25.10 O ATOM 339 CB ASP A 37 -19.150 1.801 -4.988 1.00 25.81 C ATOM 340 CG ASP A 37 -19.729 0.477 -5.430 1.00 30.12 C ATOM 341 OD1 ASP A 37 -20.789 0.476 -6.104 1.00 32.96 O ATOM 342 OD2 ASP A 37 -19.149 -0.583 -5.119 1.00 31.28 O ATOM 343 H ASP A 37 -18.175 2.275 -7.358 1.00 0.00 H ATOM 344 N ILE A 38 -17.937 4.668 -5.472 1.00 23.32 N ATOM 345 CA ILE A 38 -17.446 5.989 -5.053 1.00 23.84 C ATOM 346 C ILE A 38 -18.316 7.069 -5.670 1.00 22.48 C ATOM 347 O ILE A 38 -18.754 8.009 -5.007 1.00 24.03 O ATOM 348 CB ILE A 38 -15.935 6.182 -5.379 1.00 23.60 C ATOM 349 CG1 ILE A 38 -15.101 5.140 -4.602 1.00 24.54 C ATOM 350 CG2 ILE A 38 -15.463 7.562 -5.116 1.00 23.79 C ATOM 351 CD1 ILE A 38 -13.748 4.879 -5.224 1.00 26.45 C ATOM 352 H ILE A 38 -17.291 4.019 -5.965 1.00 0.00 H ATOM 353 N ALA A 39 -18.510 6.966 -6.997 1.00 22.29 N ATOM 354 CA ALA A 39 -19.342 7.898 -7.711 1.00 21.58 C ATOM 355 C ALA A 39 -20.763 7.937 -7.177 1.00 23.34 C ATOM 356 O ALA A 39 -21.340 9.031 -7.028 1.00 23.13 O ATOM 357 CB ALA A 39 -19.365 7.571 -9.196 1.00 20.62 C ATOM 358 H ALA A 39 -18.048 6.195 -7.519 1.00 0.00 H ATOM 359 N ALA A 40 -21.321 6.778 -6.885 1.00 23.10 N ATOM 360 CA ALA A 40 -22.685 6.735 -6.374 1.00 24.31 C ATOM 361 C ALA A 40 -22.824 7.450 -5.025 1.00 27.52 C ATOM 362 O ALA A 40 -23.781 8.194 -4.825 1.00 27.24 O ATOM 363 CB ALA A 40 -23.151 5.327 -6.228 1.00 26.35 C ATOM 364 H ALA A 40 -20.788 5.895 -7.019 1.00 0.00 H ATOM 365 N TYR A 41 -21.858 7.245 -4.128 1.00 26.15 N ATOM 366 CA TYR A 41 -21.892 7.906 -2.816 1.00 28.05 C ATOM 367 C TYR A 41 -21.880 9.408 -2.981 1.00 27.89 C ATOM 368 O TYR A 41 -22.691 10.126 -2.394 1.00 29.47 O ATOM 369 CB TYR A 41 -20.670 7.466 -2.020 1.00 28.57 C ATOM 370 CG TYR A 41 -20.611 8.065 -0.629 1.00 30.85 C ATOM 371 CD1 TYR A 41 -20.069 9.313 -0.376 1.00 31.05 C ATOM 372 CD2 TYR A 41 -21.105 7.367 0.435 1.00 33.13 C ATOM 373 CE1 TYR A 41 -20.038 9.850 0.867 1.00 33.41 C ATOM 374 CE2 TYR A 41 -21.059 7.903 1.734 1.00 35.60 C ATOM 375 CZ TYR A 41 -20.510 9.115 1.898 1.00 35.62 C ATOM 376 OH TYR A 41 -20.482 9.621 3.202 1.00 38.40 O ATOM 377 HH TYR A 41 -20.057 10.515 3.199 1.00 0.00 H ATOM 378 H TYR A 41 -21.069 6.608 -4.361 1.00 0.00 H ATOM 379 N ILE A 42 -20.987 9.914 -3.847 1.00 26.02 N ATOM 380 CA ILE A 42 -20.871 11.345 -4.024 1.00 26.87 C ATOM 381 C ILE A 42 -22.151 11.920 -4.645 1.00 26.27 C ATOM 382 O ILE A 42 -22.704 12.922 -4.170 1.00 27.69 O ATOM 383 CB ILE A 42 -19.618 11.724 -4.842 1.00 26.07 C ATOM 384 CG1 ILE A 42 -18.343 11.223 -4.167 1.00 24.69 C ATOM 385 CG2 ILE A 42 -19.601 13.208 -5.150 1.00 26.91 C ATOM 386 CD1 ILE A 42 -17.155 11.207 -5.097 1.00 24.28 C ATOM 387 H ILE A 42 -20.376 9.274 -4.393 1.00 0.00 H ATOM 388 N LYS A 43 -22.635 11.260 -5.701 1.00 25.19 N ATOM 389 CA LYS A 43 -23.861 11.712 -6.369 1.00 26.51 C ATOM 390 C LYS A 43 -25.023 11.775 -5.415 1.00 30.25 C ATOM 391 O LYS A 43 -25.729 12.790 -5.347 1.00 29.09 O ATOM 392 CB LYS A 43 -24.171 10.794 -7.552 1.00 26.19 C ATOM 393 CG LYS A 43 -25.433 11.111 -8.360 1.00 27.76 C ATOM 394 CD LYS A 43 -26.685 10.519 -7.747 1.00 31.04 C ATOM 395 CE LYS A 43 -27.808 10.379 -8.779 1.00 29.86 C ATOM 396 NZ LYS A 43 -28.391 11.655 -9.285 1.00 31.39 N ATOM 397 HZ1 LYS A 43 -28.793 12.191 -8.489 1.00 0.00 H ATOM 398 HZ2 LYS A 43 -27.646 12.218 -9.742 1.00 0.00 H ATOM 399 HZ3 LYS A 43 -29.139 11.443 -9.975 1.00 0.00 H ATOM 400 H LYS A 43 -22.138 10.417 -6.053 1.00 0.00 H ATOM 401 N LYS A 44 -25.221 10.710 -4.655 1.00 28.69 N ATOM 402 CA LYS A 44 -26.364 10.642 -3.755 1.00 31.45 C ATOM 403 C LYS A 44 -26.299 11.679 -2.626 1.00 36.89 C ATOM 404 O LYS A 44 -27.318 12.308 -2.292 1.00 36.99 O ATOM 405 CB LYS A 44 -26.525 9.237 -3.198 1.00 32.11 C ATOM 406 CG LYS A 44 -26.986 8.228 -4.243 1.00 31.83 C ATOM 407 CD LYS A 44 -26.848 6.824 -3.719 1.00 36.64 C ATOM 408 CE LYS A 44 -27.423 5.791 -4.726 1.00 47.02 C ATOM 409 NZ LYS A 44 -27.039 4.406 -4.362 1.00 56.79 N ATOM 410 HZ1 LYS A 44 -26.002 4.324 -4.361 1.00 0.00 H ATOM 411 HZ2 LYS A 44 -27.406 4.183 -3.415 1.00 0.00 H ATOM 412 HZ3 LYS A 44 -27.440 3.743 -5.056 1.00 0.00 H ATOM 413 H LYS A 44 -24.554 9.914 -4.701 1.00 0.00 H ATOM 414 N GLU A 45 -25.092 11.926 -2.106 1.00 32.77 N ATOM 415 CA GLU A 45 -24.902 12.931 -1.052 1.00 34.77 C ATOM 416 C GLU A 45 -25.169 14.327 -1.587 1.00 34.91 C ATOM 417 O GLU A 45 -25.780 15.163 -0.912 1.00 37.37 O ATOM 418 CB GLU A 45 -23.471 12.851 -0.521 1.00 36.61 C ATOM 419 CG GLU A 45 -23.226 11.665 0.403 1.00 40.76 C ATOM 420 CD GLU A 45 -24.131 11.681 1.616 1.00 49.00 C ATOM 421 OE1 GLU A 45 -24.110 12.683 2.372 1.00 44.90 O ATOM 422 OE2 GLU A 45 -24.884 10.698 1.791 1.00 45.89 O ATOM 423 H GLU A 45 -24.269 11.394 -2.456 1.00 0.00 H ATOM 424 N PHE A 46 -24.707 14.600 -2.816 1.00 32.55 N ATOM 425 CA PHE A 46 -24.934 15.914 -3.407 1.00 33.36 C ATOM 426 C PHE A 46 -26.418 16.134 -3.751 1.00 34.27 C ATOM 427 O PHE A 46 -26.940 17.242 -3.574 1.00 36.19 O ATOM 428 CB PHE A 46 -23.968 16.178 -4.577 1.00 30.91 C ATOM 429 CG PHE A 46 -22.847 17.102 -4.189 1.00 31.02 C ATOM 430 CD1 PHE A 46 -21.995 16.755 -3.156 1.00 33.82 C ATOM 431 CD2 PHE A 46 -22.659 18.307 -4.828 1.00 30.62 C ATOM 432 CE1 PHE A 46 -20.969 17.607 -2.751 1.00 36.07 C ATOM 433 CE2 PHE A 46 -21.633 19.171 -4.418 1.00 35.50 C ATOM 434 CZ PHE A 46 -20.792 18.794 -3.368 1.00 33.04 C ATOM 435 H PHE A 46 -24.186 13.874 -3.348 1.00 0.00 H ATOM 436 N ASP A 47 -27.100 15.079 -4.213 1.00 33.73 N ATOM 437 CA ASP A 47 -28.560 15.160 -4.375 1.00 35.70 C ATOM 438 C ASP A 47 -29.253 15.573 -3.061 1.00 39.09 C ATOM 439 O ASP A 47 -30.195 16.331 -3.083 1.00 41.28 O ATOM 440 CB ASP A 47 -29.142 13.822 -4.875 1.00 38.47 C ATOM 441 CG ASP A 47 -29.020 13.622 -6.377 1.00 38.26 C ATOM 442 OD1 ASP A 47 -28.573 14.546 -7.093 1.00 35.02 O ATOM 443 OD2 ASP A 47 -29.382 12.513 -6.846 1.00 39.24 O ATOM 444 H ASP A 47 -26.598 14.202 -4.458 1.00 0.00 H ATOM 445 N LYS A 48 -28.770 15.056 -1.941 1.00 39.75 N ATOM 446 CA LYS A 48 -29.364 15.388 -0.629 1.00 43.27 C ATOM 447 C LYS A 48 -28.942 16.759 -0.148 1.00 44.58 C ATOM 448 O LYS A 48 -29.765 17.482 0.427 1.00 47.74 O ATOM 449 CB LYS A 48 -28.926 14.330 0.362 1.00 43.67 C ATOM 450 CG LYS A 48 -29.714 13.045 0.263 1.00 60.91 C ATOM 451 CD LYS A 48 -28.917 11.842 0.746 1.00 66.42 C ATOM 452 CE LYS A 48 -28.197 12.123 2.047 1.00 62.92 C ATOM 453 NZ LYS A 48 -27.704 10.869 2.680 1.00 71.68 N ATOM 454 HZ1 LYS A 48 -28.510 10.242 2.878 1.00 0.00 H ATOM 455 HZ2 LYS A 48 -27.043 10.393 2.034 1.00 0.00 H ATOM 456 HZ3 LYS A 48 -27.216 11.100 3.569 1.00 0.00 H ATOM 457 H LYS A 48 -27.960 14.406 -1.986 1.00 0.00 H ATOM 458 N LYS A 49 -27.657 17.087 -0.245 1.00 42.69 N ATOM 459 CA LYS A 49 -27.163 18.377 0.275 1.00 44.21 C ATOM 460 C LYS A 49 -27.518 19.573 -0.591 1.00 44.41 C ATOM 461 O LYS A 49 -27.758 20.674 -0.097 1.00 47.03 O ATOM 462 CB LYS A 49 -25.638 18.372 0.487 1.00 42.57 C ATOM 463 CG LYS A 49 -25.089 17.434 1.565 1.00 43.13 C ATOM 464 CD LYS A 49 -23.551 17.452 1.570 1.00 60.92 C ATOM 465 CE LYS A 49 -22.968 16.455 2.558 1.00 51.96 C ATOM 466 NZ LYS A 49 -23.539 16.644 3.920 1.00 71.02 N ATOM 467 HZ1 LYS A 49 -23.324 17.605 4.254 1.00 0.00 H ATOM 468 HZ2 LYS A 49 -24.570 16.510 3.884 1.00 0.00 H ATOM 469 HZ3 LYS A 49 -23.120 15.948 4.570 1.00 0.00 H ATOM 470 H LYS A 49 -26.991 16.426 -0.693 1.00 0.00 H ATOM 471 N TYR A 50 -27.471 19.368 -1.908 1.00 41.79 N ATOM 472 CA TYR A 50 -27.565 20.486 -2.860 1.00 41.69 C ATOM 473 C TYR A 50 -28.641 20.294 -3.929 1.00 43.74 C ATOM 474 O TYR A 50 -28.603 20.952 -4.969 1.00 45.68 O ATOM 475 CB TYR A 50 -26.196 20.756 -3.466 1.00 39.17 C ATOM 476 CG TYR A 50 -25.184 21.267 -2.475 1.00 40.13 C ATOM 477 CD1 TYR A 50 -25.310 22.543 -1.932 1.00 42.93 C ATOM 478 CD2 TYR A 50 -24.108 20.481 -2.071 1.00 38.59 C ATOM 479 CE1 TYR A 50 -24.391 23.018 -1.032 1.00 44.12 C ATOM 480 CE2 TYR A 50 -23.190 20.960 -1.127 1.00 51.09 C ATOM 481 CZ TYR A 50 -23.347 22.233 -0.621 1.00 43.63 C ATOM 482 OH TYR A 50 -22.447 22.757 0.274 1.00 48.88 O ATOM 483 HH TYR A 50 -22.421 22.189 1.085 1.00 0.00 H ATOM 484 H TYR A 50 -27.366 18.398 -2.269 1.00 0.00 H ATOM 485 N ASN A 51 -29.595 19.406 -3.640 1.00 42.42 N ATOM 486 CA ASN A 51 -30.785 19.146 -4.455 1.00 43.05 C ATOM 487 C ASN A 51 -30.434 18.348 -5.702 1.00 41.14 C ATOM 488 O ASN A 51 -29.325 18.443 -6.198 1.00 37.37 O ATOM 489 CB ASN A 51 -31.499 20.430 -4.853 1.00 54.87 C ATOM 490 CG ASN A 51 -32.247 21.042 -3.717 1.00 64.86 C ATOM 491 OD1 ASN A 51 -32.753 20.339 -2.842 1.00 57.88 O ATOM 492 ND2 ASN A 51 -32.326 22.366 -3.713 1.00 75.40 N ATOM 493 HD22 ASN A 51 -31.881 22.916 -4.476 1.00 0.00 H ATOM 494 HD21 ASN A 51 -32.833 22.854 -2.947 1.00 0.00 H ATOM 495 H ASN A 51 -29.485 18.854 -2.766 1.00 0.00 H ATOM 496 N PRO A 52 -31.367 17.534 -6.204 1.00 41.30 N ATOM 497 CA PRO A 52 -31.047 16.834 -7.469 1.00 44.21 C ATOM 498 C PRO A 52 -30.976 17.821 -8.630 1.00 43.52 C ATOM 499 O PRO A 52 -31.462 18.943 -8.438 1.00 51.39 O ATOM 500 CB PRO A 52 -32.232 15.882 -7.652 1.00 56.30 C ATOM 501 CG PRO A 52 -32.858 15.767 -6.303 1.00 52.70 C ATOM 502 CD PRO A 52 -32.608 17.053 -5.574 1.00 48.60 C ATOM 503 N THR A 53 -30.407 17.465 -9.792 1.00 41.64 N ATOM 504 CA THR A 53 -29.935 16.128 -10.118 1.00 42.76 C ATOM 505 C THR A 53 -28.464 16.199 -10.481 1.00 33.33 C ATOM 506 O THR A 53 -28.080 16.891 -11.431 1.00 34.04 O ATOM 507 CB THR A 53 -30.716 15.568 -11.338 1.00 35.48 C ATOM 508 OG1 THR A 53 -32.093 15.429 -10.977 1.00 42.46 O ATOM 509 CG2 THR A 53 -30.180 14.224 -11.800 1.00 41.03 C ATOM 510 HG1 THR A 53 -32.601 15.072 -11.748 1.00 0.00 H ATOM 511 H THR A 53 -30.295 18.203 -10.516 1.00 0.00 H ATOM 512 N TRP A 54 -27.643 15.472 -9.722 1.00 29.79 N ATOM 513 CA TRP A 54 -26.199 15.417 -9.936 1.00 26.50 C ATOM 514 C TRP A 54 -25.782 14.152 -10.650 1.00 24.69 C ATOM 515 O TRP A 54 -26.482 13.155 -10.628 1.00 25.84 O ATOM 516 CB TRP A 54 -25.431 15.517 -8.591 1.00 27.83 C ATOM 517 CG TRP A 54 -25.622 16.826 -7.915 1.00 31.05 C ATOM 518 CD1 TRP A 54 -26.658 17.179 -7.095 1.00 32.80 C ATOM 519 CD2 TRP A 54 -24.757 17.964 -7.980 1.00 28.55 C ATOM 520 NE1 TRP A 54 -26.489 18.474 -6.650 1.00 34.85 N ATOM 521 CE2 TRP A 54 -25.341 18.981 -7.201 1.00 31.09 C ATOM 522 CE3 TRP A 54 -23.557 18.230 -8.633 1.00 26.93 C ATOM 523 CZ2 TRP A 54 -24.745 20.233 -7.028 1.00 32.02 C ATOM 524 CZ3 TRP A 54 -22.972 19.482 -8.479 1.00 28.66 C ATOM 525 CH2 TRP A 54 -23.571 20.474 -7.702 1.00 30.34 C ATOM 526 HE1 TRP A 54 -27.127 18.981 -6.004 1.00 0.00 H ATOM 527 H TRP A 54 -28.050 14.918 -8.941 1.00 0.00 H ATOM 528 N HIS A 55 -24.610 14.209 -11.271 1.00 24.80 N ATOM 529 CA HIS A 55 -24.016 13.079 -11.975 1.00 21.05 C ATOM 530 C HIS A 55 -22.554 13.073 -11.582 1.00 22.50 C ATOM 531 O HIS A 55 -21.989 14.160 -11.458 1.00 23.46 O ATOM 532 CB HIS A 55 -24.156 13.258 -13.509 1.00 22.38 C ATOM 533 CG HIS A 55 -25.510 13.709 -13.918 1.00 23.51 C ATOM 534 ND1 HIS A 55 -26.556 12.830 -14.119 1.00 25.14 N ATOM 535 CD2 HIS A 55 -26.013 14.950 -14.094 1.00 25.22 C ATOM 536 CE1 HIS A 55 -27.634 13.514 -14.453 1.00 25.11 C ATOM 537 NE2 HIS A 55 -27.325 14.802 -14.457 1.00 27.91 N ATOM 538 H HIS A 55 -24.088 15.108 -11.254 1.00 0.00 H ATOM 539 N CYS A 56 -21.961 11.895 -11.397 1.00 20.35 N ATOM 540 CA CYS A 56 -20.588 11.811 -10.946 1.00 21.22 C ATOM 541 C CYS A 56 -19.855 10.711 -11.737 1.00 19.34 C ATOM 542 O CYS A 56 -20.371 9.594 -11.883 1.00 20.15 O ATOM 543 CB CYS A 56 -20.567 11.531 -9.412 1.00 23.40 C ATOM 544 SG CYS A 56 -18.942 11.606 -8.731 1.00 22.05 S ATOM 545 H CYS A 56 -22.493 11.020 -11.580 1.00 0.00 H ATOM 546 N ILE A 57 -18.647 11.054 -12.173 1.00 19.34 N ATOM 547 CA ILE A 57 -17.716 10.130 -12.815 1.00 18.44 C ATOM 548 C ILE A 57 -16.440 10.122 -11.987 1.00 18.50 C ATOM 549 O ILE A 57 -15.944 11.187 -11.602 1.00 19.97 O ATOM 550 CB ILE A 57 -17.392 10.580 -14.250 1.00 19.17 C ATOM 551 CG1 ILE A 57 -18.641 10.970 -15.043 1.00 24.36 C ATOM 552 CG2 ILE A 57 -16.473 9.546 -14.911 1.00 20.73 C ATOM 553 CD1 ILE A 57 -19.514 10.001 -15.260 1.00 24.83 C ATOM 554 H ILE A 57 -18.346 12.042 -12.049 1.00 0.00 H ATOM 555 N VAL A 58 -15.915 8.922 -11.736 1.00 20.17 N ATOM 556 CA VAL A 58 -14.703 8.746 -10.946 1.00 19.57 C ATOM 557 C VAL A 58 -13.783 7.811 -11.711 1.00 18.41 C ATOM 558 O VAL A 58 -14.161 6.713 -12.080 1.00 19.57 O ATOM 559 CB VAL A 58 -15.024 8.140 -9.552 1.00 20.01 C ATOM 560 CG1 VAL A 58 -13.767 7.808 -8.738 1.00 21.53 C ATOM 561 CG2 VAL A 58 -15.916 9.082 -8.757 1.00 21.30 C ATOM 562 H VAL A 58 -16.389 8.079 -12.119 1.00 0.00 H ATOM 563 N GLY A 59 -12.544 8.225 -11.939 1.00 20.40 N ATOM 564 CA GLY A 59 -11.637 7.369 -12.687 1.00 21.33 C ATOM 565 C GLY A 59 -10.231 7.895 -12.896 1.00 22.27 C ATOM 566 O GLY A 59 -9.931 9.032 -12.553 1.00 23.84 O ATOM 567 H GLY A 59 -12.225 9.150 -11.587 1.00 0.00 H ATOM 568 N ARG A 60 -9.375 7.040 -13.436 1.00 22.27 N ATOM 569 CA ARG A 60 -7.997 7.385 -13.692 1.00 24.27 C ATOM 570 C ARG A 60 -7.744 7.695 -15.178 1.00 22.14 C ATOM 571 O ARG A 60 -6.742 8.326 -15.482 1.00 23.78 O ATOM 572 CB ARG A 60 -7.085 6.262 -13.249 1.00 23.59 C ATOM 573 CG ARG A 60 -7.166 5.993 -11.755 1.00 29.65 C ATOM 574 CD ARG A 60 -6.414 4.735 -11.392 1.00 42.05 C ATOM 575 NE ARG A 60 -6.583 4.412 -9.979 1.00 52.63 N ATOM 576 CZ ARG A 60 -5.752 4.787 -9.011 1.00 57.49 C ATOM 577 NH1 ARG A 60 -4.666 5.498 -9.285 1.00 61.87 N ATOM 578 NH2 ARG A 60 -6.007 4.441 -7.757 1.00 57.65 N ATOM 579 HE ARG A 60 -7.414 3.847 -9.709 1.00 0.00 H ATOM 580 HH12 ARG A 60 -4.025 5.784 -8.518 1.00 0.00 H ATOM 581 HH11 ARG A 60 -4.456 5.769 -10.267 1.00 0.00 H ATOM 582 HH22 ARG A 60 -5.361 4.731 -6.996 1.00 0.00 H ATOM 583 HH21 ARG A 60 -6.853 3.879 -7.534 1.00 0.00 H ATOM 584 H ARG A 60 -9.708 6.086 -13.684 1.00 0.00 H ATOM 585 N ASN A 61 -8.638 7.262 -16.074 1.00 21.92 N ATOM 586 CA ASN A 61 -8.471 7.559 -17.495 1.00 20.75 C ATOM 587 C ASN A 61 -9.824 7.763 -18.147 1.00 19.42 C ATOM 588 O ASN A 61 -10.552 6.808 -18.456 1.00 20.41 O ATOM 589 CB ASN A 61 -7.739 6.455 -18.225 1.00 22.61 C ATOM 590 CG ASN A 61 -7.615 6.771 -19.698 1.00 22.95 C ATOM 591 OD1 ASN A 61 -8.332 6.235 -20.529 1.00 25.62 O ATOM 592 ND2 ASN A 61 -6.745 7.691 -20.011 1.00 26.21 N ATOM 593 HD22 ASN A 61 -6.154 8.121 -19.271 1.00 0.00 H ATOM 594 HD21 ASN A 61 -6.642 7.994 -21.000 1.00 0.00 H ATOM 595 H ASN A 61 -9.459 6.709 -15.756 1.00 0.00 H ATOM 596 N PHE A 62 -10.133 9.036 -18.375 1.00 18.92 N ATOM 597 CA PHE A 62 -11.325 9.421 -19.112 1.00 20.30 C ATOM 598 C PHE A 62 -11.282 10.865 -19.524 1.00 18.65 C ATOM 599 O PHE A 62 -10.621 11.701 -18.894 1.00 19.52 O ATOM 600 CB PHE A 62 -12.632 9.162 -18.337 1.00 18.32 C ATOM 601 CG PHE A 62 -12.862 10.047 -17.141 1.00 19.04 C ATOM 602 CD1 PHE A 62 -12.312 9.724 -15.922 1.00 19.16 C ATOM 603 CD2 PHE A 62 -13.664 11.197 -17.231 1.00 19.17 C ATOM 604 CE1 PHE A 62 -12.569 10.533 -14.792 1.00 20.31 C ATOM 605 CE2 PHE A 62 -13.882 12.023 -16.172 1.00 18.95 C ATOM 606 CZ PHE A 62 -13.324 11.689 -14.935 1.00 20.08 C ATOM 607 H PHE A 62 -9.502 9.780 -18.015 1.00 0.00 H ATOM 608 N GLY A 63 -12.012 11.140 -20.613 1.00 18.66 N ATOM 609 CA GLY A 63 -12.307 12.501 -20.986 1.00 21.05 C ATOM 610 C GLY A 63 -13.806 12.680 -21.047 1.00 19.85 C ATOM 611 O GLY A 63 -14.550 11.717 -21.172 1.00 21.42 O ATOM 612 H GLY A 63 -12.372 10.359 -21.199 1.00 0.00 H ATOM 613 N SER A 64 -14.285 13.920 -20.962 1.00 19.74 N ATOM 614 CA SER A 64 -15.714 14.166 -20.914 1.00 21.83 C ATOM 615 C SER A 64 -16.025 15.450 -21.660 1.00 19.88 C ATOM 616 O SER A 64 -15.204 16.364 -21.796 1.00 22.57 O ATOM 617 CB SER A 64 -16.213 14.349 -19.471 1.00 21.19 C ATOM 618 OG SER A 64 -15.809 15.562 -18.915 1.00 23.65 O ATOM 619 HG SER A 64 -14.820 15.605 -18.903 1.00 0.00 H ATOM 620 H SER A 64 -13.625 14.723 -20.930 1.00 0.00 H ATOM 621 N TYR A 65 -17.272 15.501 -22.110 1.00 20.14 N ATOM 622 CA TYR A 65 -17.823 16.720 -22.653 1.00 20.38 C ATOM 623 C TYR A 65 -19.275 16.720 -22.192 1.00 22.62 C ATOM 624 O TYR A 65 -20.080 15.877 -22.593 1.00 22.40 O ATOM 625 CB TYR A 65 -17.673 16.778 -24.189 1.00 22.55 C ATOM 626 CG TYR A 65 -17.892 18.160 -24.676 1.00 23.31 C ATOM 627 CD1 TYR A 65 -16.854 19.057 -24.714 1.00 27.07 C ATOM 628 CD2 TYR A 65 -19.147 18.585 -25.078 1.00 26.35 C ATOM 629 CE1 TYR A 65 -17.028 20.356 -25.184 1.00 30.25 C ATOM 630 CE2 TYR A 65 -19.345 19.863 -25.562 1.00 28.67 C ATOM 631 CZ TYR A 65 -18.274 20.763 -25.601 1.00 26.98 C ATOM 632 OH TYR A 65 -18.432 22.055 -26.060 1.00 31.60 O ATOM 633 HH TYR A 65 -19.100 22.524 -25.500 1.00 0.00 H ATOM 634 H TYR A 65 -17.864 14.647 -22.071 1.00 0.00 H ATOM 635 N VAL A 66 -19.606 17.672 -21.324 1.00 24.05 N ATOM 636 CA VAL A 66 -20.917 17.722 -20.677 1.00 21.56 C ATOM 637 C VAL A 66 -21.424 19.131 -20.698 1.00 24.27 C ATOM 638 O VAL A 66 -20.680 20.085 -21.007 1.00 25.83 O ATOM 639 CB VAL A 66 -20.838 17.223 -19.215 1.00 23.89 C ATOM 640 CG1 VAL A 66 -20.127 15.899 -19.141 1.00 22.85 C ATOM 641 CG2 VAL A 66 -20.129 18.249 -18.289 1.00 26.16 C ATOM 642 H VAL A 66 -18.907 18.408 -21.097 1.00 0.00 H ATOM 643 N THR A 67 -22.699 19.274 -20.366 1.00 28.62 N ATOM 644 CA THR A 67 -23.324 20.585 -20.337 1.00 30.26 C ATOM 645 C THR A 67 -23.908 20.746 -18.949 1.00 32.05 C ATOM 646 O THR A 67 -24.754 19.968 -18.539 1.00 38.47 O ATOM 647 CB THR A 67 -24.432 20.710 -21.398 1.00 31.33 C ATOM 648 OG1 THR A 67 -23.883 20.475 -22.700 1.00 32.07 O ATOM 649 CG2 THR A 67 -25.022 22.085 -21.376 1.00 35.89 C ATOM 650 HG1 THR A 67 -23.175 21.142 -22.884 1.00 0.00 H ATOM 651 H THR A 67 -23.261 18.434 -20.122 1.00 0.00 H ATOM 652 N HIS A 68 -23.429 21.730 -18.195 1.00 31.26 N ATOM 653 CA HIS A 68 -23.832 21.812 -16.784 1.00 28.64 C ATOM 654 C HIS A 68 -24.523 23.121 -16.466 1.00 31.33 C ATOM 655 O HIS A 68 -24.322 24.139 -17.134 1.00 34.56 O ATOM 656 CB HIS A 68 -22.627 21.639 -15.854 1.00 29.47 C ATOM 657 CG HIS A 68 -21.637 22.748 -15.944 1.00 28.30 C ATOM 658 ND1 HIS A 68 -21.783 23.929 -15.254 1.00 31.48 N ATOM 659 CD2 HIS A 68 -20.466 22.845 -16.612 1.00 25.77 C ATOM 660 CE1 HIS A 68 -20.752 24.717 -15.509 1.00 29.98 C ATOM 661 NE2 HIS A 68 -19.941 24.081 -16.336 1.00 28.80 N ATOM 662 H HIS A 68 -22.777 22.433 -18.598 1.00 0.00 H ATOM 663 N GLU A 69 -25.340 23.077 -15.418 1.00 31.96 N ATOM 664 CA GLU A 69 -25.948 24.256 -14.855 1.00 34.12 C ATOM 665 C GLU A 69 -24.840 25.179 -14.337 1.00 33.59 C ATOM 666 O GLU A 69 -23.841 24.703 -13.780 1.00 33.40 O ATOM 667 CB GLU A 69 -26.916 23.839 -13.739 1.00 38.15 C ATOM 668 CG GLU A 69 -27.599 24.995 -13.049 1.00 48.52 C ATOM 669 CD GLU A 69 -28.575 24.549 -11.971 1.00 54.93 C ATOM 670 OE1 GLU A 69 -28.864 23.339 -11.873 1.00 46.30 O ATOM 671 OE2 GLU A 69 -29.054 25.420 -11.216 1.00 64.29 O ATOM 672 H GLU A 69 -25.549 22.154 -14.987 1.00 0.00 H ATOM 673 N THR A 70 -24.979 26.476 -14.571 1.00 38.78 N ATOM 674 CA THR A 70 -24.000 27.437 -14.065 1.00 40.72 C ATOM 675 C THR A 70 -23.866 27.279 -12.555 1.00 37.95 C ATOM 676 O THR A 70 -24.848 27.037 -11.849 1.00 41.74 O ATOM 677 CB THR A 70 -24.369 28.901 -14.406 1.00 50.25 C ATOM 678 OG1 THR A 70 -25.664 29.207 -13.887 1.00 52.09 O ATOM 679 CG2 THR A 70 -24.393 29.084 -15.886 1.00 53.56 C ATOM 680 HG1 THR A 70 -25.660 29.090 -12.904 1.00 0.00 H ATOM 681 H THR A 70 -25.794 26.814 -15.121 1.00 0.00 H ATOM 682 N ARG A 71 -22.625 27.368 -12.090 1.00 42.01 N ATOM 683 CA ARG A 71 -22.278 27.267 -10.667 1.00 37.09 C ATOM 684 C ARG A 71 -22.473 25.863 -10.078 1.00 38.03 C ATOM 685 O ARG A 71 -22.460 25.701 -8.863 1.00 39.12 O ATOM 686 CB ARG A 71 -23.039 28.312 -9.838 1.00 41.10 C ATOM 687 CG ARG A 71 -22.713 29.733 -10.252 1.00 48.21 C ATOM 688 CD ARG A 71 -21.298 30.132 -9.814 1.00 58.45 C ATOM 689 NE ARG A 71 -21.260 30.495 -8.401 1.00 62.27 N ATOM 690 CZ ARG A 71 -20.149 30.656 -7.688 1.00 61.05 C ATOM 691 NH1 ARG A 71 -20.238 30.996 -6.411 1.00 60.27 N ATOM 692 NH2 ARG A 71 -18.956 30.482 -8.244 1.00 64.30 N ATOM 693 HE ARG A 71 -22.169 30.638 -7.916 1.00 0.00 H ATOM 694 HH12 ARG A 71 -19.375 31.124 -5.846 1.00 0.00 H ATOM 695 HH11 ARG A 71 -21.171 31.135 -5.974 1.00 0.00 H ATOM 696 HH22 ARG A 71 -18.094 30.611 -7.676 1.00 0.00 H ATOM 697 HH21 ARG A 71 -18.883 30.217 -9.247 1.00 0.00 H ATOM 698 H ARG A 71 -21.855 27.518 -12.773 1.00 0.00 H ATOM 699 N HIS A 72 -22.609 24.849 -10.930 1.00 35.51 N ATOM 700 CA HIS A 72 -22.791 23.472 -10.472 1.00 37.83 C ATOM 701 C HIS A 72 -21.895 22.496 -11.223 1.00 31.25 C ATOM 702 O HIS A 72 -22.358 21.523 -11.817 1.00 30.05 O ATOM 703 CB HIS A 72 -24.265 23.060 -10.584 1.00 40.44 C ATOM 704 CG HIS A 72 -25.161 23.804 -9.642 1.00 44.56 C ATOM 705 ND1 HIS A 72 -25.650 25.060 -9.920 1.00 48.64 N ATOM 706 CD2 HIS A 72 -25.643 23.473 -8.422 1.00 47.36 C ATOM 707 CE1 HIS A 72 -26.401 25.471 -8.913 1.00 49.79 C ATOM 708 NE2 HIS A 72 -26.414 24.528 -7.990 1.00 48.63 N ATOM 709 H HIS A 72 -22.585 25.042 -11.952 1.00 0.00 H ATOM 710 N PHE A 73 -20.590 22.744 -11.160 1.00 29.69 N ATOM 711 CA PHE A 73 -19.627 21.887 -11.849 1.00 27.85 C ATOM 712 C PHE A 73 -18.312 21.909 -11.070 1.00 25.82 C ATOM 713 O PHE A 73 -17.831 22.974 -10.685 1.00 29.67 O ATOM 714 CB PHE A 73 -19.442 22.382 -13.298 1.00 31.17 C ATOM 715 CG PHE A 73 -18.334 21.736 -14.026 1.00 29.51 C ATOM 716 CD1 PHE A 73 -17.045 22.229 -13.949 1.00 28.87 C ATOM 717 CD2 PHE A 73 -18.581 20.623 -14.817 1.00 29.76 C ATOM 718 CE1 PHE A 73 -16.006 21.608 -14.665 1.00 29.02 C ATOM 719 CE2 PHE A 73 -17.553 20.019 -15.547 1.00 30.11 C ATOM 720 CZ PHE A 73 -16.271 20.510 -15.458 1.00 30.79 C ATOM 721 H PHE A 73 -20.250 23.560 -10.612 1.00 0.00 H ATOM 722 N ILE A 74 -17.733 20.742 -10.869 1.00 25.82 N ATOM 723 CA ILE A 74 -16.371 20.652 -10.372 1.00 25.48 C ATOM 724 C ILE A 74 -15.702 19.452 -11.000 1.00 22.59 C ATOM 725 O ILE A 74 -16.303 18.386 -11.166 1.00 24.21 O ATOM 726 CB ILE A 74 -16.329 20.620 -8.824 1.00 26.15 C ATOM 727 CG1 ILE A 74 -14.896 20.768 -8.273 1.00 28.05 C ATOM 728 CG2 ILE A 74 -16.945 19.358 -8.282 1.00 26.09 C ATOM 729 CD1 ILE A 74 -14.833 20.919 -6.762 1.00 28.13 C ATOM 730 H ILE A 74 -18.261 19.869 -11.070 1.00 0.00 H ATOM 731 N TYR A 75 -14.419 19.612 -11.255 1.00 25.65 N ATOM 732 CA TYR A 75 -13.574 18.532 -11.747 1.00 22.71 C ATOM 733 C TYR A 75 -12.293 18.618 -10.921 1.00 22.61 C ATOM 734 O TYR A 75 -11.649 19.655 -10.888 1.00 25.51 O ATOM 735 CB TYR A 75 -13.300 18.710 -13.251 1.00 22.70 C ATOM 736 CG TYR A 75 -12.301 17.725 -13.789 1.00 23.03 C ATOM 737 CD1 TYR A 75 -12.548 16.357 -13.747 1.00 22.89 C ATOM 738 CD2 TYR A 75 -11.096 18.152 -14.316 1.00 23.89 C ATOM 739 CE1 TYR A 75 -11.649 15.431 -14.255 1.00 20.57 C ATOM 740 CE2 TYR A 75 -10.181 17.239 -14.823 1.00 25.48 C ATOM 741 CZ TYR A 75 -10.437 15.884 -14.773 1.00 22.98 C ATOM 742 OH TYR A 75 -9.502 14.980 -15.255 1.00 25.97 O ATOM 743 HH TYR A 75 -8.656 15.082 -14.751 1.00 0.00 H ATOM 744 H TYR A 75 -13.992 20.547 -11.099 1.00 0.00 H ATOM 745 N PHE A 76 -11.964 17.545 -10.213 1.00 23.34 N ATOM 746 CA PHE A 76 -10.839 17.579 -9.273 1.00 24.30 C ATOM 747 C PHE A 76 -10.239 16.200 -9.079 1.00 24.35 C ATOM 748 O PHE A 76 -10.899 15.202 -9.319 1.00 25.01 O ATOM 749 CB PHE A 76 -11.260 18.165 -7.903 1.00 25.60 C ATOM 750 CG PHE A 76 -12.269 17.331 -7.120 1.00 25.93 C ATOM 751 CD1 PHE A 76 -13.616 17.310 -7.459 1.00 24.51 C ATOM 752 CD2 PHE A 76 -11.873 16.613 -6.004 1.00 27.04 C ATOM 753 CE1 PHE A 76 -14.550 16.592 -6.713 1.00 26.18 C ATOM 754 CE2 PHE A 76 -12.802 15.893 -5.231 1.00 27.33 C ATOM 755 CZ PHE A 76 -14.116 15.858 -5.569 1.00 25.32 C ATOM 756 H PHE A 76 -12.511 16.668 -10.326 1.00 0.00 H ATOM 757 N TYR A 77 -8.976 16.185 -8.629 1.00 24.72 N ATOM 758 CA TYR A 77 -8.337 14.951 -8.202 1.00 26.77 C ATOM 759 C TYR A 77 -8.342 14.839 -6.711 1.00 27.98 C ATOM 760 O TYR A 77 -8.193 15.838 -6.032 1.00 27.85 O ATOM 761 CB TYR A 77 -6.880 14.902 -8.659 1.00 31.14 C ATOM 762 CG TYR A 77 -6.699 14.382 -10.057 1.00 27.27 C ATOM 763 CD1 TYR A 77 -6.897 15.194 -11.141 1.00 29.50 C ATOM 764 CD2 TYR A 77 -6.337 13.063 -10.285 1.00 29.91 C ATOM 765 CE1 TYR A 77 -6.744 14.713 -12.463 1.00 27.03 C ATOM 766 CE2 TYR A 77 -6.189 12.551 -11.559 1.00 32.48 C ATOM 767 CZ TYR A 77 -6.387 13.373 -12.655 1.00 27.64 C ATOM 768 OH TYR A 77 -6.220 12.871 -13.937 1.00 28.68 O ATOM 769 HH TYR A 77 -5.291 12.547 -14.045 1.00 0.00 H ATOM 770 H TYR A 77 -8.442 17.076 -8.584 1.00 0.00 H ATOM 771 N LEU A 78 -8.567 13.628 -6.229 1.00 27.20 N ATOM 772 CA LEU A 78 -8.304 13.352 -4.821 1.00 29.16 C ATOM 773 C LEU A 78 -7.337 12.185 -4.857 1.00 29.12 C ATOM 774 O LEU A 78 -7.711 11.093 -5.276 1.00 29.65 O ATOM 775 CB LEU A 78 -9.597 12.974 -4.095 1.00 34.81 C ATOM 776 CG LEU A 78 -9.554 12.904 -2.567 1.00 32.51 C ATOM 777 CD1 LEU A 78 -8.916 14.133 -1.918 1.00 31.74 C ATOM 778 CD2 LEU A 78 -10.961 12.754 -2.002 1.00 39.67 C ATOM 779 H LEU A 78 -8.929 12.877 -6.850 1.00 0.00 H ATOM 780 N GLY A 79 -6.092 12.436 -4.468 1.00 31.57 N ATOM 781 CA GLY A 79 -5.060 11.453 -4.732 1.00 35.58 C ATOM 782 C GLY A 79 -4.945 11.231 -6.226 1.00 36.93 C ATOM 783 O GLY A 79 -4.877 12.184 -7.021 1.00 34.92 O ATOM 784 H GLY A 79 -5.861 13.325 -3.981 1.00 0.00 H ATOM 785 N GLN A 80 -4.932 9.968 -6.606 1.00 33.58 N ATOM 786 CA GLN A 80 -4.697 9.627 -8.012 1.00 33.47 C ATOM 787 C GLN A 80 -5.972 9.479 -8.818 1.00 33.60 C ATOM 788 O GLN A 80 -5.906 9.182 -10.015 1.00 34.17 O ATOM 789 CB GLN A 80 -3.874 8.345 -8.123 1.00 40.57 C ATOM 790 CG GLN A 80 -2.545 8.404 -7.360 1.00 47.05 C ATOM 791 CD GLN A 80 -1.765 9.699 -7.605 1.00 67.76 C ATOM 792 OE1 GLN A 80 -1.787 10.255 -8.707 1.00 75.46 O ATOM 793 NE2 GLN A 80 -1.083 10.188 -6.567 1.00 66.55 N ATOM 794 HE22 GLN A 80 -1.092 9.686 -5.656 1.00 0.00 H ATOM 795 HE21 GLN A 80 -0.542 11.071 -6.669 1.00 0.00 H ATOM 796 H GLN A 80 -5.089 9.214 -5.907 1.00 0.00 H ATOM 797 N VAL A 81 -7.136 9.692 -8.218 1.00 30.55 N ATOM 798 CA VAL A 81 -8.393 9.475 -8.933 1.00 33.74 C ATOM 799 C VAL A 81 -9.015 10.840 -9.266 1.00 24.59 C ATOM 800 O VAL A 81 -9.028 11.780 -8.459 1.00 25.65 O ATOM 801 CB VAL A 81 -9.328 8.554 -8.132 1.00 47.84 C ATOM 802 CG1 VAL A 81 -10.069 9.311 -7.071 1.00 38.20 C ATOM 803 CG2 VAL A 81 -10.278 7.841 -9.018 1.00 48.63 C ATOM 804 H VAL A 81 -7.155 10.016 -7.230 1.00 0.00 H ATOM 805 N ALA A 82 -9.513 10.948 -10.481 1.00 24.39 N ATOM 806 CA ALA A 82 -10.197 12.136 -10.936 1.00 23.67 C ATOM 807 C ALA A 82 -11.697 11.991 -10.729 1.00 23.39 C ATOM 808 O ALA A 82 -12.266 10.928 -10.919 1.00 24.98 O ATOM 809 CB ALA A 82 -9.894 12.421 -12.409 1.00 23.32 C ATOM 810 H ALA A 82 -9.410 10.148 -11.137 1.00 0.00 H ATOM 811 N ILE A 83 -12.318 13.107 -10.361 1.00 22.10 N ATOM 812 CA ILE A 83 -13.730 13.146 -10.043 1.00 22.33 C ATOM 813 C ILE A 83 -14.387 14.321 -10.786 1.00 20.80 C ATOM 814 O ILE A 83 -13.985 15.473 -10.654 1.00 22.95 O ATOM 815 CB ILE A 83 -13.945 13.281 -8.524 1.00 22.31 C ATOM 816 CG1 ILE A 83 -13.286 12.110 -7.835 1.00 23.84 C ATOM 817 CG2 ILE A 83 -15.434 13.353 -8.211 1.00 23.52 C ATOM 818 CD1 ILE A 83 -13.257 12.167 -6.385 1.00 31.16 C ATOM 819 H ILE A 83 -11.768 13.987 -10.299 1.00 0.00 H ATOM 820 N LEU A 84 -15.402 13.988 -11.576 1.00 21.39 N ATOM 821 CA LEU A 84 -16.247 14.972 -12.244 1.00 20.15 C ATOM 822 C LEU A 84 -17.633 14.910 -11.596 1.00 20.15 C ATOM 823 O LEU A 84 -18.200 13.835 -11.512 1.00 20.51 O ATOM 824 CB LEU A 84 -16.354 14.601 -13.714 1.00 20.42 C ATOM 825 CG LEU A 84 -17.456 15.300 -14.529 1.00 20.43 C ATOM 826 CD1 LEU A 84 -17.288 16.779 -14.550 1.00 23.61 C ATOM 827 CD2 LEU A 84 -17.502 14.728 -15.959 1.00 21.94 C ATOM 828 H LEU A 84 -15.604 12.979 -11.725 1.00 0.00 H ATOM 829 N LEU A 85 -18.139 16.073 -11.141 1.00 21.15 N ATOM 830 CA LEU A 85 -19.403 16.135 -10.442 1.00 20.77 C ATOM 831 C LEU A 85 -20.145 17.364 -10.939 1.00 23.08 C ATOM 832 O LEU A 85 -19.633 18.463 -10.866 1.00 24.35 O ATOM 833 CB LEU A 85 -19.127 16.217 -8.925 1.00 22.38 C ATOM 834 CG LEU A 85 -20.313 16.436 -8.008 1.00 24.50 C ATOM 835 CD1 LEU A 85 -21.240 15.255 -8.021 1.00 26.05 C ATOM 836 CD2 LEU A 85 -19.784 16.729 -6.581 1.00 27.03 C ATOM 837 H LEU A 85 -17.605 16.952 -11.297 1.00 0.00 H ATOM 838 N PHE A 86 -21.372 17.193 -11.426 1.00 23.86 N ATOM 839 CA PHE A 86 -22.105 18.344 -11.991 1.00 23.18 C ATOM 840 C PHE A 86 -23.604 18.116 -12.030 1.00 24.33 C ATOM 841 O PHE A 86 -24.050 16.946 -11.954 1.00 24.66 O ATOM 842 CB PHE A 86 -21.590 18.642 -13.431 1.00 24.98 C ATOM 843 CG PHE A 86 -21.951 17.567 -14.460 1.00 22.56 C ATOM 844 CD1 PHE A 86 -21.236 16.390 -14.550 1.00 21.62 C ATOM 845 CD2 PHE A 86 -23.014 17.758 -15.329 1.00 25.96 C ATOM 846 CE1 PHE A 86 -21.594 15.402 -15.457 1.00 22.07 C ATOM 847 CE2 PHE A 86 -23.366 16.804 -16.275 1.00 25.68 C ATOM 848 CZ PHE A 86 -22.658 15.623 -16.344 1.00 22.14 C ATOM 849 H PHE A 86 -21.813 16.251 -11.409 1.00 0.00 H ATOM 850 N LYS A 87 -24.373 19.207 -12.151 1.00 28.48 N ATOM 851 CA LYS A 87 -25.813 19.153 -12.458 1.00 31.94 C ATOM 852 C LYS A 87 -26.002 19.492 -13.924 1.00 32.44 C ATOM 853 O LYS A 87 -25.310 20.372 -14.417 1.00 32.89 O ATOM 854 CB LYS A 87 -26.597 20.182 -11.650 1.00 36.64 C ATOM 855 CG LYS A 87 -26.881 19.810 -10.257 1.00 39.88 C ATOM 856 CD LYS A 87 -27.948 20.745 -9.698 1.00 43.86 C ATOM 857 CE LYS A 87 -28.418 20.297 -8.341 1.00 59.45 C ATOM 858 NZ LYS A 87 -29.652 21.024 -7.951 1.00 51.68 N ATOM 859 HZ1 LYS A 87 -29.457 22.045 -7.921 1.00 0.00 H ATOM 860 HZ2 LYS A 87 -30.400 20.833 -8.648 1.00 0.00 H ATOM 861 HZ3 LYS A 87 -29.961 20.701 -7.012 1.00 0.00 H ATOM 862 H LYS A 87 -23.931 20.139 -12.022 1.00 0.00 H ATOM 863 N SER A 88 -26.941 18.847 -14.616 1.00 36.34 N ATOM 864 CA SER A 88 -27.065 19.097 -16.065 1.00 40.18 C ATOM 865 C SER A 88 -27.750 20.421 -16.354 1.00 54.11 C ATOM 866 O SER A 88 -28.506 20.939 -15.526 1.00 49.63 O ATOM 867 CB SER A 88 -27.817 17.977 -16.790 1.00 39.92 C ATOM 868 OG SER A 88 -28.077 18.369 -18.140 1.00 36.63 O ATOM 869 HG SER A 88 -28.628 19.191 -18.143 1.00 0.00 H ATOM 870 H SER A 88 -27.578 18.176 -14.141 1.00 0.00 H ATOM 871 N GLY A 89 -27.464 20.960 -17.538 1.00 56.10 N ATOM 872 CA GLY A 89 -28.150 22.130 -18.044 1.00 59.39 C ATOM 873 C GLY A 89 -29.268 21.702 -18.974 1.00 66.18 C ATOM 874 O GLY A 89 -29.581 20.511 -19.053 1.00 64.26 O ATOM 875 OXT GLY A 89 -29.888 22.518 -19.664 1.00 64.48 O ATOM 876 H GLY A 89 -26.721 20.524 -18.120 1.00 0.00 H TER 877 GLY A 89 ATOM 878 N ASP B 3 -11.558 -3.315 -38.256 1.00 95.86 N ATOM 879 CA ASP B 3 -11.859 -2.102 -37.510 1.00 89.19 C ATOM 880 C ASP B 3 -12.224 -2.448 -36.070 1.00 83.44 C ATOM 881 O ASP B 3 -11.965 -3.551 -35.590 1.00 82.67 O ATOM 882 CB ASP B 3 -13.022 -1.338 -38.151 1.00 89.61 C ATOM 883 CG ASP B 3 -13.133 -1.586 -39.635 1.00 96.25 C ATOM 884 OD1 ASP B 3 -12.161 -2.108 -40.220 1.00100.09 O ATOM 885 OD2 ASP B 3 -14.192 -1.256 -40.213 1.00 96.15 O ATOM 886 HN3 ASP B 3 -12.392 -3.937 -38.255 1.00 0.00 H ATOM 887 HN2 ASP B 3 -10.757 -3.806 -37.809 1.00 0.00 H ATOM 888 HN1 ASP B 3 -11.311 -3.066 -39.235 1.00 0.00 H ATOM 889 N ARG B 4 -12.852 -1.499 -35.394 1.00 61.04 N ATOM 890 CA ARG B 4 -13.114 -1.654 -33.977 1.00 53.31 C ATOM 891 C ARG B 4 -14.392 -2.424 -33.689 1.00 48.44 C ATOM 892 O ARG B 4 -15.399 -2.333 -34.417 1.00 51.14 O ATOM 893 CB ARG B 4 -13.171 -0.289 -33.299 1.00 52.86 C ATOM 894 CG ARG B 4 -11.816 0.405 -33.176 1.00 61.69 C ATOM 895 CD ARG B 4 -11.968 1.781 -32.522 1.00 60.97 C ATOM 896 NE ARG B 4 -10.687 2.472 -32.391 1.00 67.24 N ATOM 897 CZ ARG B 4 -10.156 3.264 -33.322 1.00 63.77 C ATOM 898 NH1 ARG B 4 -10.789 3.487 -34.468 1.00 63.74 N ATOM 899 NH2 ARG B 4 -8.980 3.842 -33.102 1.00 70.00 N ATOM 900 HE ARG B 4 -10.152 2.336 -31.509 1.00 0.00 H ATOM 901 HH12 ARG B 4 -10.363 4.107 -35.185 1.00 0.00 H ATOM 902 HH11 ARG B 4 -11.711 3.041 -34.648 1.00 0.00 H ATOM 903 HH22 ARG B 4 -8.561 4.461 -33.825 1.00 0.00 H ATOM 904 HH21 ARG B 4 -8.478 3.675 -32.206 1.00 0.00 H ATOM 905 H ARG B 4 -13.160 -0.635 -35.884 1.00 0.00 H ATOM 906 N LYS B 5 -14.338 -3.201 -32.613 1.00 39.48 N ATOM 907 CA LYS B 5 -15.433 -4.053 -32.202 1.00 37.90 C ATOM 908 C LYS B 5 -16.339 -3.308 -31.252 1.00 35.22 C ATOM 909 O LYS B 5 -15.871 -2.725 -30.276 1.00 33.04 O ATOM 910 CB LYS B 5 -14.884 -5.323 -31.543 1.00 41.47 C ATOM 911 CG LYS B 5 -15.932 -6.354 -31.162 1.00 51.24 C ATOM 912 CD LYS B 5 -15.323 -7.354 -30.190 1.00 56.07 C ATOM 913 CE LYS B 5 -16.223 -8.531 -29.937 1.00 56.88 C ATOM 914 NZ LYS B 5 -15.470 -9.619 -29.246 1.00 63.52 N ATOM 915 HZ1 LYS B 5 -14.674 -9.921 -29.843 1.00 0.00 H ATOM 916 HZ2 LYS B 5 -15.108 -9.266 -28.337 1.00 0.00 H ATOM 917 HZ3 LYS B 5 -16.105 -10.425 -29.078 1.00 0.00 H ATOM 918 H LYS B 5 -13.470 -3.197 -32.040 1.00 0.00 H ATOM 919 N ALA B 6 -17.630 -3.271 -31.562 1.00 35.62 N ATOM 920 CA ALA B 6 -18.603 -2.627 -30.708 1.00 33.58 C ATOM 921 C ALA B 6 -19.210 -3.675 -29.794 1.00 33.87 C ATOM 922 O ALA B 6 -19.656 -4.718 -30.241 1.00 36.15 O ATOM 923 CB ALA B 6 -19.682 -1.954 -31.565 1.00 35.32 C ATOM 924 H ALA B 6 -17.950 -3.718 -32.445 1.00 0.00 H ATOM 925 N VAL B 7 -19.217 -3.368 -28.496 1.00 31.77 N ATOM 926 CA VAL B 7 -19.822 -4.220 -27.482 1.00 31.98 C ATOM 927 C VAL B 7 -20.697 -3.322 -26.590 1.00 30.03 C ATOM 928 O VAL B 7 -20.188 -2.562 -25.759 1.00 29.66 O ATOM 929 CB VAL B 7 -18.742 -4.942 -26.645 1.00 38.16 C ATOM 930 CG1 VAL B 7 -19.385 -5.841 -25.618 1.00 40.15 C ATOM 931 CG2 VAL B 7 -17.788 -5.730 -27.543 1.00 39.39 C ATOM 932 H VAL B 7 -18.770 -2.479 -28.194 1.00 0.00 H ATOM 933 N ILE B 8 -22.013 -3.414 -26.772 1.00 34.99 N ATOM 934 CA ILE B 8 -22.946 -2.617 -25.979 1.00 34.11 C ATOM 935 C ILE B 8 -23.146 -3.329 -24.657 1.00 30.90 C ATOM 936 O ILE B 8 -23.491 -4.505 -24.633 1.00 35.39 O ATOM 937 CB ILE B 8 -24.263 -2.357 -26.741 1.00 35.53 C ATOM 938 CG1 ILE B 8 -23.965 -1.627 -28.080 1.00 40.25 C ATOM 939 CG2 ILE B 8 -25.213 -1.549 -25.881 1.00 35.07 C ATOM 940 CD1 ILE B 8 -25.192 -1.462 -28.962 1.00 37.60 C ATOM 941 H ILE B 8 -22.384 -4.066 -27.493 1.00 0.00 H ATOM 942 N LYS B 9 -22.865 -2.621 -23.572 1.00 30.01 N ATOM 943 CA LYS B 9 -22.880 -3.227 -22.262 1.00 31.71 C ATOM 944 C LYS B 9 -24.203 -3.002 -21.552 1.00 42.46 C ATOM 945 O LYS B 9 -24.697 -3.873 -20.863 1.00 37.28 O ATOM 946 CB LYS B 9 -21.753 -2.608 -21.425 1.00 34.04 C ATOM 947 CG LYS B 9 -20.358 -2.950 -21.875 1.00 37.97 C ATOM 948 CD LYS B 9 -19.976 -4.388 -21.646 1.00 45.86 C ATOM 949 CE LYS B 9 -18.577 -4.649 -22.203 1.00 49.54 C ATOM 950 NZ LYS B 9 -18.151 -6.062 -21.991 1.00 51.82 N ATOM 951 HZ1 LYS B 9 -18.142 -6.271 -20.972 1.00 0.00 H ATOM 952 HZ2 LYS B 9 -18.818 -6.700 -22.471 1.00 0.00 H ATOM 953 HZ3 LYS B 9 -17.197 -6.198 -22.383 1.00 0.00 H ATOM 954 H LYS B 9 -22.630 -1.612 -23.666 1.00 0.00 H ATOM 955 N ASN B 10 -24.730 -1.794 -21.687 1.00 30.23 N ATOM 956 CA ASN B 10 -25.991 -1.436 -21.055 1.00 34.40 C ATOM 957 C ASN B 10 -26.658 -0.347 -21.872 1.00 35.58 C ATOM 958 O ASN B 10 -26.058 0.680 -22.160 1.00 36.09 O ATOM 959 CB ASN B 10 -25.723 -0.927 -19.629 1.00 35.93 C ATOM 960 CG ASN B 10 -27.006 -0.643 -18.829 1.00 36.10 C ATOM 961 OD1 ASN B 10 -28.118 -0.884 -19.272 1.00 42.74 O ATOM 962 ND2 ASN B 10 -26.825 -0.139 -17.620 1.00 37.66 N ATOM 963 HD22 ASN B 10 -25.863 0.054 -17.276 1.00 0.00 H ATOM 964 HD21 ASN B 10 -27.645 0.065 -17.013 1.00 0.00 H ATOM 965 H ASN B 10 -24.230 -1.084 -22.259 1.00 0.00 H ATOM 966 N ALA B 11 -27.898 -0.584 -22.278 1.00 33.66 N ATOM 967 CA ALA B 11 -28.613 0.384 -23.106 1.00 38.39 C ATOM 968 C ALA B 11 -30.052 0.534 -22.634 1.00 41.34 C ATOM 969 O ALA B 11 -30.730 -0.446 -22.294 1.00 41.89 O ATOM 970 CB ALA B 11 -28.580 -0.018 -24.606 1.00 42.16 C ATOM 971 H ALA B 11 -28.367 -1.470 -22.003 1.00 0.00 H ATOM 972 N ASP B 12 -30.490 1.785 -22.605 1.00 32.67 N ATOM 973 CA ASP B 12 -31.881 2.144 -22.489 1.00 32.49 C ATOM 974 C ASP B 12 -32.127 3.113 -23.612 1.00 38.68 C ATOM 975 O ASP B 12 -32.025 4.324 -23.432 1.00 34.70 O ATOM 976 CB ASP B 12 -32.196 2.800 -21.139 1.00 41.91 C ATOM 977 CG ASP B 12 -33.660 3.187 -21.017 1.00 42.04 C ATOM 978 OD1 ASP B 12 -34.498 2.620 -21.751 1.00 43.01 O ATOM 979 OD2 ASP B 12 -33.992 4.072 -20.208 1.00 49.29 O ATOM 980 H ASP B 12 -29.790 2.551 -22.670 1.00 0.00 H ATOM 981 N MET B 13 -32.409 2.565 -24.785 1.00 39.16 N ATOM 982 CA MET B 13 -32.318 3.330 -26.017 1.00 36.72 C ATOM 983 C MET B 13 -32.806 2.498 -27.191 1.00 44.19 C ATOM 984 O MET B 13 -32.566 1.298 -27.239 1.00 44.02 O ATOM 985 CB MET B 13 -30.847 3.705 -26.219 1.00 42.62 C ATOM 986 CG MET B 13 -30.561 4.523 -27.405 1.00 46.31 C ATOM 987 SD MET B 13 -28.817 5.022 -27.581 1.00 32.30 S ATOM 988 CE MET B 13 -28.700 6.315 -26.353 1.00 33.76 C ATOM 989 H MET B 13 -32.701 1.568 -24.825 1.00 0.00 H ATOM 990 N SER B 14 -33.492 3.126 -28.143 1.00 40.20 N ATOM 991 CA SER B 14 -33.952 2.402 -29.329 1.00 43.03 C ATOM 992 C SER B 14 -32.775 1.814 -30.111 1.00 47.29 C ATOM 993 O SER B 14 -31.651 2.323 -30.055 1.00 40.78 O ATOM 994 CB SER B 14 -34.740 3.324 -30.257 1.00 45.46 C ATOM 995 OG SER B 14 -33.847 4.221 -30.918 1.00 44.31 O ATOM 996 HG SER B 14 -33.193 3.702 -31.449 1.00 0.00 H ATOM 997 H SER B 14 -33.703 4.139 -28.043 1.00 0.00 H ATOM 998 N GLU B 15 -33.057 0.750 -30.865 1.00 47.91 N ATOM 999 CA GLU B 15 -32.040 0.074 -31.671 1.00 50.00 C ATOM 1000 C GLU B 15 -31.408 1.029 -32.667 1.00 49.54 C ATOM 1001 O GLU B 15 -30.186 1.025 -32.856 1.00 45.54 O ATOM 1002 CB GLU B 15 -32.661 -1.104 -32.437 1.00 55.16 C ATOM 1003 CG GLU B 15 -32.886 -2.343 -31.598 1.00 69.79 C ATOM 1004 CD GLU B 15 -31.583 -2.927 -31.078 1.00 78.31 C ATOM 1005 OE1 GLU B 15 -30.550 -2.766 -31.768 1.00 82.69 O ATOM 1006 OE2 GLU B 15 -31.591 -3.531 -29.981 1.00 74.73 O ATOM 1007 H GLU B 15 -34.032 0.389 -30.880 1.00 0.00 H ATOM 1008 N GLU B 16 -32.251 1.819 -33.334 1.00 50.44 N ATOM 1009 CA GLU B 16 -31.752 2.810 -34.282 1.00 46.92 C ATOM 1010 C GLU B 16 -30.794 3.787 -33.604 1.00 43.58 C ATOM 1011 O GLU B 16 -29.731 4.100 -34.137 1.00 43.32 O ATOM 1012 CB GLU B 16 -32.904 3.584 -34.935 1.00 53.86 C ATOM 1013 CG GLU B 16 -32.420 4.699 -35.872 1.00 60.99 C ATOM 1014 CD GLU B 16 -33.451 5.116 -36.917 1.00 74.31 C ATOM 1015 OE1 GLU B 16 -34.637 4.743 -36.778 1.00 83.41 O ATOM 1016 OE2 GLU B 16 -33.070 5.821 -37.882 1.00 77.21 O ATOM 1017 H GLU B 16 -33.275 1.728 -33.177 1.00 0.00 H ATOM 1018 N MET B 17 -31.144 4.263 -32.411 1.00 41.85 N ATOM 1019 CA MET B 17 -30.310 5.248 -31.745 1.00 39.05 C ATOM 1020 C MET B 17 -29.015 4.616 -31.255 1.00 36.54 C ATOM 1021 O MET B 17 -27.963 5.213 -31.340 1.00 35.78 O ATOM 1022 CB MET B 17 -31.056 5.885 -30.580 1.00 40.77 C ATOM 1023 CG MET B 17 -32.156 6.796 -31.044 1.00 41.64 C ATOM 1024 SD MET B 17 -33.055 7.646 -29.739 1.00 46.83 S ATOM 1025 CE MET B 17 -31.774 8.644 -29.000 1.00 37.07 C ATOM 1026 H MET B 17 -32.017 3.929 -31.955 1.00 0.00 H ATOM 1027 N GLN B 18 -29.103 3.377 -30.772 1.00 36.47 N ATOM 1028 CA GLN B 18 -27.886 2.652 -30.418 1.00 34.73 C ATOM 1029 C GLN B 18 -26.964 2.552 -31.635 1.00 35.53 C ATOM 1030 O GLN B 18 -25.756 2.752 -31.514 1.00 34.33 O ATOM 1031 CB GLN B 18 -28.199 1.256 -29.894 1.00 35.34 C ATOM 1032 CG GLN B 18 -28.980 1.216 -28.569 1.00 40.85 C ATOM 1033 CD GLN B 18 -29.189 -0.191 -28.108 1.00 48.61 C ATOM 1034 OE1 GLN B 18 -28.261 -0.997 -28.167 1.00 56.56 O ATOM 1035 NE2 GLN B 18 -30.389 -0.499 -27.640 1.00 50.28 N ATOM 1036 HE22 GLN B 18 -31.138 0.222 -27.613 1.00 0.00 H ATOM 1037 HE21 GLN B 18 -30.583 -1.462 -27.299 1.00 0.00 H ATOM 1038 H GLN B 18 -30.033 2.929 -30.648 1.00 0.00 H ATOM 1039 N GLN B 19 -27.516 2.224 -32.798 1.00 38.34 N ATOM 1040 CA GLN B 19 -26.663 2.151 -33.972 1.00 39.46 C ATOM 1041 C GLN B 19 -26.057 3.510 -34.317 1.00 38.60 C ATOM 1042 O GLN B 19 -24.888 3.576 -34.670 1.00 38.03 O ATOM 1043 CB GLN B 19 -27.409 1.582 -35.185 1.00 43.06 C ATOM 1044 CG GLN B 19 -26.523 1.475 -36.441 1.00 44.65 C ATOM 1045 CD GLN B 19 -25.436 0.414 -36.331 1.00 49.59 C ATOM 1046 OE1 GLN B 19 -25.723 -0.784 -36.340 1.00 70.40 O ATOM 1047 NE2 GLN B 19 -24.182 0.845 -36.263 1.00 53.25 N ATOM 1048 HE22 GLN B 19 -23.982 1.866 -36.258 1.00 0.00 H ATOM 1049 HE21 GLN B 19 -23.399 0.162 -36.215 1.00 0.00 H ATOM 1050 H GLN B 19 -28.534 2.024 -32.867 1.00 0.00 H ATOM 1051 N ASP B 20 -26.823 4.589 -34.207 1.00 38.76 N ATOM 1052 CA ASP B 20 -26.281 5.909 -34.477 1.00 38.20 C ATOM 1053 C ASP B 20 -25.172 6.234 -33.464 1.00 35.03 C ATOM 1054 O ASP B 20 -24.194 6.876 -33.811 1.00 34.57 O ATOM 1055 CB ASP B 20 -27.370 6.982 -34.471 1.00 39.30 C ATOM 1056 CG ASP B 20 -28.157 7.012 -35.773 1.00 57.93 C ATOM 1057 OD1 ASP B 20 -27.633 6.526 -36.797 1.00 65.65 O ATOM 1058 OD2 ASP B 20 -29.293 7.520 -35.770 1.00 57.58 O ATOM 1059 H ASP B 20 -27.819 4.488 -33.925 1.00 0.00 H ATOM 1060 N ALA B 21 -25.295 5.801 -32.191 1.00 33.08 N ATOM 1061 CA ALA B 21 -24.252 6.029 -31.231 1.00 30.47 C ATOM 1062 C ALA B 21 -22.949 5.350 -31.626 1.00 30.22 C ATOM 1063 O ALA B 21 -21.875 5.945 -31.537 1.00 29.11 O ATOM 1064 CB ALA B 21 -24.728 5.523 -29.860 1.00 29.66 C ATOM 1065 H ALA B 21 -26.157 5.296 -31.902 1.00 0.00 H ATOM 1066 N VAL B 22 -23.034 4.098 -32.045 1.00 31.51 N ATOM 1067 CA VAL B 22 -21.836 3.390 -32.470 1.00 31.79 C ATOM 1068 C VAL B 22 -21.225 4.070 -33.699 1.00 33.16 C ATOM 1069 O VAL B 22 -20.025 4.234 -33.794 1.00 32.64 O ATOM 1070 CB VAL B 22 -22.179 1.913 -32.751 1.00 33.49 C ATOM 1071 CG1 VAL B 22 -21.031 1.207 -33.472 1.00 34.65 C ATOM 1072 CG2 VAL B 22 -22.565 1.218 -31.458 1.00 32.70 C ATOM 1073 H VAL B 22 -23.957 3.620 -32.071 1.00 0.00 H ATOM 1074 N ASP B 23 -22.069 4.421 -34.672 1.00 35.29 N ATOM 1075 CA ASP B 23 -21.570 5.120 -35.851 1.00 36.97 C ATOM 1076 C ASP B 23 -20.892 6.433 -35.522 1.00 35.47 C ATOM 1077 O ASP B 23 -19.815 6.738 -36.034 1.00 35.87 O ATOM 1078 CB ASP B 23 -22.731 5.403 -36.825 1.00 39.69 C ATOM 1079 CG ASP B 23 -23.295 4.153 -37.448 1.00 45.47 C ATOM 1080 OD1 ASP B 23 -22.641 3.093 -37.348 1.00 45.45 O ATOM 1081 OD2 ASP B 23 -24.393 4.250 -38.052 1.00 45.53 O ATOM 1082 H ASP B 23 -23.081 4.196 -34.589 1.00 0.00 H ATOM 1083 N CYS B 24 -21.488 7.209 -34.618 1.00 33.89 N ATOM 1084 CA CYS B 24 -20.950 8.493 -34.244 1.00 32.72 C ATOM 1085 C CYS B 24 -19.589 8.326 -33.561 1.00 30.79 C ATOM 1086 O CYS B 24 -18.650 9.086 -33.808 1.00 32.73 O ATOM 1087 CB CYS B 24 -21.944 9.142 -33.294 1.00 39.41 C ATOM 1088 SG CYS B 24 -21.707 10.858 -33.036 1.00 33.65 S ATOM 1089 H CYS B 24 -22.366 6.879 -34.169 1.00 0.00 H ATOM 1090 N ALA B 25 -19.517 7.324 -32.672 1.00 29.35 N ATOM 1091 CA ALA B 25 -18.275 7.057 -31.952 1.00 27.81 C ATOM 1092 C ALA B 25 -17.183 6.573 -32.901 1.00 29.28 C ATOM 1093 O ALA B 25 -16.011 6.931 -32.751 1.00 28.83 O ATOM 1094 CB ALA B 25 -18.510 6.070 -30.846 1.00 27.14 C ATOM 1095 H ALA B 25 -20.353 6.732 -32.494 1.00 0.00 H ATOM 1096 N THR B 26 -17.579 5.818 -33.939 1.00 31.43 N ATOM 1097 CA THR B 26 -16.602 5.359 -34.912 1.00 33.30 C ATOM 1098 C THR B 26 -16.042 6.539 -35.707 1.00 34.36 C ATOM 1099 O THR B 26 -14.834 6.635 -35.868 1.00 36.54 O ATOM 1100 CB THR B 26 -17.249 4.344 -35.860 1.00 35.72 C ATOM 1101 OG1 THR B 26 -17.771 3.246 -35.115 1.00 38.02 O ATOM 1102 CG2 THR B 26 -16.258 3.804 -36.876 1.00 46.54 C ATOM 1103 HG1 THR B 26 -18.451 3.576 -34.476 1.00 0.00 H ATOM 1104 H THR B 26 -18.581 5.563 -34.046 1.00 0.00 H ATOM 1105 N GLN B 27 -16.901 7.475 -36.104 1.00 34.99 N ATOM 1106 CA GLN B 27 -16.438 8.726 -36.768 1.00 36.14 C ATOM 1107 C GLN B 27 -15.502 9.503 -35.869 1.00 34.21 C ATOM 1108 O GLN B 27 -14.445 9.981 -36.260 1.00 35.07 O ATOM 1109 CB GLN B 27 -17.632 9.616 -37.148 1.00 37.15 C ATOM 1110 CG GLN B 27 -18.550 8.996 -38.187 1.00 39.71 C ATOM 1111 CD GLN B 27 -19.938 9.626 -38.213 1.00 57.21 C ATOM 1112 OE1 GLN B 27 -20.214 10.612 -37.522 1.00 49.32 O ATOM 1113 NE2 GLN B 27 -20.822 9.051 -39.016 1.00 59.26 N ATOM 1114 HE22 GLN B 27 -20.549 8.222 -39.581 1.00 0.00 H ATOM 1115 HE21 GLN B 27 -21.789 9.429 -39.081 1.00 0.00 H ATOM 1116 H GLN B 27 -17.919 7.330 -35.947 1.00 0.00 H ATOM 1117 N ALA B 28 -15.872 9.573 -34.571 1.00 31.70 N ATOM 1118 CA ALA B 28 -15.080 10.348 -33.608 1.00 29.98 C ATOM 1119 C ALA B 28 -13.689 9.772 -33.430 1.00 33.02 C ATOM 1120 O ALA B 28 -12.709 10.505 -33.373 1.00 32.08 O ATOM 1121 CB ALA B 28 -15.805 10.383 -32.260 1.00 27.69 C ATOM 1122 H ALA B 28 -16.726 9.073 -34.251 1.00 0.00 H ATOM 1123 N LEU B 29 -13.601 8.450 -33.346 1.00 29.91 N ATOM 1124 CA LEU B 29 -12.309 7.795 -33.194 1.00 34.57 C ATOM 1125 C LEU B 29 -11.456 7.860 -34.441 1.00 32.58 C ATOM 1126 O LEU B 29 -10.225 7.811 -34.383 1.00 43.89 O ATOM 1127 CB LEU B 29 -12.521 6.343 -32.807 1.00 38.04 C ATOM 1128 CG LEU B 29 -12.990 6.194 -31.363 1.00 40.54 C ATOM 1129 CD1 LEU B 29 -13.409 4.774 -31.095 1.00 42.17 C ATOM 1130 CD2 LEU B 29 -11.892 6.579 -30.416 1.00 38.12 C ATOM 1131 H LEU B 29 -14.466 7.874 -33.389 1.00 0.00 H ATOM 1132 N GLU B 30 -12.109 7.945 -35.584 1.00 34.45 N ATOM 1133 CA GLU B 30 -11.371 8.113 -36.821 1.00 37.24 C ATOM 1134 C GLU B 30 -10.706 9.480 -36.867 1.00 38.05 C ATOM 1135 O GLU B 30 -9.595 9.619 -37.350 1.00 40.20 O ATOM 1136 CB GLU B 30 -12.300 7.903 -38.007 1.00 39.45 C ATOM 1137 CG GLU B 30 -12.652 6.457 -38.230 1.00 48.51 C ATOM 1138 CD GLU B 30 -13.484 6.267 -39.477 1.00 61.57 C ATOM 1139 OE1 GLU B 30 -13.495 7.190 -40.324 1.00 69.29 O ATOM 1140 OE2 GLU B 30 -14.127 5.203 -39.603 1.00 65.00 O ATOM 1141 H GLU B 30 -13.148 7.892 -35.598 1.00 0.00 H ATOM 1142 N LYS B 31 -11.387 10.491 -36.343 1.00 36.08 N ATOM 1143 CA LYS B 31 -10.924 11.855 -36.413 1.00 36.62 C ATOM 1144 C LYS B 31 -9.980 12.285 -35.283 1.00 34.96 C ATOM 1145 O LYS B 31 -9.022 13.000 -35.503 1.00 36.18 O ATOM 1146 CB LYS B 31 -12.152 12.757 -36.457 1.00 36.48 C ATOM 1147 CG LYS B 31 -11.865 14.222 -36.492 1.00 44.11 C ATOM 1148 CD LYS B 31 -13.080 14.983 -36.987 1.00 51.64 C ATOM 1149 CE LYS B 31 -12.992 16.445 -36.611 1.00 58.37 C ATOM 1150 NZ LYS B 31 -13.227 17.349 -37.756 1.00 63.18 N ATOM 1151 HZ1 LYS B 31 -12.515 17.167 -38.492 1.00 0.00 H ATOM 1152 HZ2 LYS B 31 -14.177 17.177 -38.142 1.00 0.00 H ATOM 1153 HZ3 LYS B 31 -13.154 18.336 -37.437 1.00 0.00 H ATOM 1154 H LYS B 31 -12.288 10.292 -35.864 1.00 0.00 H ATOM 1155 N TYR B 32 -10.279 11.834 -34.049 1.00 32.40 N ATOM 1156 CA TYR B 32 -9.621 12.349 -32.854 1.00 30.82 C ATOM 1157 C TYR B 32 -8.950 11.255 -32.025 1.00 29.78 C ATOM 1158 O TYR B 32 -9.442 10.129 -31.971 1.00 30.99 O ATOM 1159 CB TYR B 32 -10.687 12.981 -31.985 1.00 28.98 C ATOM 1160 CG TYR B 32 -11.349 14.233 -32.523 1.00 30.05 C ATOM 1161 CD1 TYR B 32 -10.645 15.422 -32.611 1.00 31.20 C ATOM 1162 CD2 TYR B 32 -12.703 14.251 -32.786 1.00 32.74 C ATOM 1163 CE1 TYR B 32 -11.246 16.593 -33.044 1.00 33.99 C ATOM 1164 CE2 TYR B 32 -13.319 15.408 -33.223 1.00 44.67 C ATOM 1165 CZ TYR B 32 -12.580 16.580 -33.355 1.00 45.23 C ATOM 1166 OH TYR B 32 -13.197 17.739 -33.780 1.00 50.21 O ATOM 1167 HH TYR B 32 -12.531 18.471 -33.818 1.00 0.00 H ATOM 1168 H TYR B 32 -11.003 11.094 -33.945 1.00 0.00 H ATOM 1169 N ASN B 33 -7.855 11.617 -31.343 1.00 31.06 N ATOM 1170 CA ASN B 33 -7.166 10.665 -30.444 1.00 30.86 C ATOM 1171 C ASN B 33 -7.372 10.942 -28.947 1.00 28.93 C ATOM 1172 O ASN B 33 -7.112 10.070 -28.131 1.00 33.75 O ATOM 1173 CB ASN B 33 -5.672 10.640 -30.741 1.00 30.73 C ATOM 1174 CG ASN B 33 -5.383 10.141 -32.118 1.00 33.13 C ATOM 1175 OD1 ASN B 33 -5.900 9.100 -32.523 1.00 38.43 O ATOM 1176 ND2 ASN B 33 -4.583 10.890 -32.861 1.00 36.33 N ATOM 1177 HD22 ASN B 33 -4.173 11.761 -32.468 1.00 0.00 H ATOM 1178 HD21 ASN B 33 -4.365 10.607 -33.838 1.00 0.00 H ATOM 1179 H ASN B 33 -7.483 12.583 -31.447 1.00 0.00 H ATOM 1180 N ILE B 34 -7.728 12.184 -28.634 1.00 26.55 N ATOM 1181 CA ILE B 34 -7.861 12.593 -27.223 1.00 24.44 C ATOM 1182 C ILE B 34 -9.285 12.356 -26.775 1.00 23.44 C ATOM 1183 O ILE B 34 -10.252 12.779 -27.437 1.00 24.30 O ATOM 1184 CB ILE B 34 -7.446 14.068 -27.031 1.00 25.07 C ATOM 1185 CG1 ILE B 34 -6.093 14.356 -27.709 1.00 35.21 C ATOM 1186 CG2 ILE B 34 -7.385 14.415 -25.555 1.00 25.03 C ATOM 1187 CD1 ILE B 34 -4.937 13.543 -27.150 1.00 37.39 C ATOM 1188 H ILE B 34 -7.914 12.873 -29.390 1.00 0.00 H ATOM 1189 N GLU B 35 -9.425 11.716 -25.621 1.00 22.08 N ATOM 1190 CA GLU B 35 -10.738 11.284 -25.152 1.00 21.51 C ATOM 1191 C GLU B 35 -11.759 12.411 -25.058 1.00 20.95 C ATOM 1192 O GLU B 35 -12.916 12.224 -25.459 1.00 21.88 O ATOM 1193 CB GLU B 35 -10.622 10.532 -23.829 1.00 21.97 C ATOM 1194 CG GLU B 35 -9.929 9.196 -23.988 1.00 23.61 C ATOM 1195 CD GLU B 35 -9.392 8.590 -22.713 1.00 23.38 C ATOM 1196 OE1 GLU B 35 -9.238 9.295 -21.696 1.00 24.13 O ATOM 1197 OE2 GLU B 35 -9.129 7.347 -22.738 1.00 23.83 O ATOM 1198 H GLU B 35 -8.585 11.519 -25.041 1.00 0.00 H ATOM 1199 N LYS B 36 -11.374 13.578 -24.559 1.00 21.04 N ATOM 1200 CA LYS B 36 -12.339 14.678 -24.427 1.00 22.93 C ATOM 1201 C LYS B 36 -12.829 15.174 -25.783 1.00 23.42 C ATOM 1202 O LYS B 36 -13.944 15.654 -25.902 1.00 22.51 O ATOM 1203 CB LYS B 36 -11.771 15.878 -23.635 1.00 22.88 C ATOM 1204 CG LYS B 36 -10.496 16.495 -24.150 1.00 26.70 C ATOM 1205 CD LYS B 36 -10.260 17.865 -23.544 1.00 31.50 C ATOM 1206 CE LYS B 36 -8.941 18.436 -23.992 1.00 40.55 C ATOM 1207 NZ LYS B 36 -8.711 19.753 -23.363 1.00 51.42 N ATOM 1208 HZ1 LYS B 36 -9.474 20.405 -23.637 1.00 0.00 H ATOM 1209 HZ2 LYS B 36 -8.701 19.645 -22.329 1.00 0.00 H ATOM 1210 HZ3 LYS B 36 -7.797 20.133 -23.682 1.00 0.00 H ATOM 1211 H LYS B 36 -10.387 13.715 -24.261 1.00 0.00 H ATOM 1212 N ASP B 37 -11.991 15.036 -26.811 1.00 22.50 N ATOM 1213 CA ASP B 37 -12.369 15.491 -28.159 1.00 24.16 C ATOM 1214 C ASP B 37 -13.302 14.474 -28.780 1.00 24.11 C ATOM 1215 O ASP B 37 -14.278 14.846 -29.493 1.00 25.10 O ATOM 1216 CB ASP B 37 -11.135 15.684 -29.028 1.00 25.81 C ATOM 1217 CG ASP B 37 -10.278 16.847 -28.586 1.00 30.12 C ATOM 1218 OD1 ASP B 37 -10.807 17.766 -27.912 1.00 32.96 O ATOM 1219 OD2 ASP B 37 -9.070 16.875 -28.897 1.00 31.28 O ATOM 1220 H ASP B 37 -11.059 14.601 -26.659 1.00 0.00 H ATOM 1221 N ILE B 38 -13.011 13.200 -28.544 1.00 23.32 N ATOM 1222 CA ILE B 38 -13.910 12.114 -28.963 1.00 23.84 C ATOM 1223 C ILE B 38 -15.280 12.328 -28.346 1.00 22.48 C ATOM 1224 O ILE B 38 -16.313 12.237 -29.009 1.00 24.03 O ATOM 1225 CB ILE B 38 -13.321 10.709 -28.637 1.00 23.60 C ATOM 1226 CG1 ILE B 38 -12.002 10.508 -29.414 1.00 24.54 C ATOM 1227 CG2 ILE B 38 -14.280 9.610 -28.900 1.00 23.79 C ATOM 1228 CD1 ILE B 38 -11.099 9.467 -28.792 1.00 26.45 C ATOM 1229 H ILE B 38 -12.126 12.965 -28.051 1.00 0.00 H ATOM 1230 N ALA B 39 -15.288 12.547 -27.019 1.00 22.29 N ATOM 1231 CA ALA B 39 -16.511 12.802 -26.305 1.00 21.58 C ATOM 1232 C ALA B 39 -17.255 14.013 -26.839 1.00 23.34 C ATOM 1233 O ALA B 39 -18.491 13.965 -26.988 1.00 23.13 O ATOM 1234 CB ALA B 39 -16.239 12.985 -24.820 1.00 20.62 C ATOM 1235 H ALA B 39 -14.389 12.532 -26.497 1.00 0.00 H ATOM 1236 N ALA B 40 -16.530 15.076 -27.131 1.00 23.10 N ATOM 1237 CA ALA B 40 -17.175 16.278 -27.642 1.00 24.31 C ATOM 1238 C ALA B 40 -17.864 16.041 -28.991 1.00 27.52 C ATOM 1239 O ALA B 40 -18.987 16.498 -29.191 1.00 27.24 O ATOM 1240 CB ALA B 40 -16.189 17.386 -27.788 1.00 26.35 C ATOM 1241 H ALA B 40 -15.499 15.056 -26.996 1.00 0.00 H ATOM 1242 N TYR B 41 -17.203 15.307 -29.888 1.00 26.15 N ATOM 1243 CA TYR B 41 -17.793 15.006 -31.200 1.00 28.05 C ATOM 1244 C TYR B 41 -19.088 14.245 -31.035 1.00 27.89 C ATOM 1245 O TYR B 41 -20.115 14.588 -31.622 1.00 29.47 O ATOM 1246 CB TYR B 41 -16.801 14.168 -31.996 1.00 28.57 C ATOM 1247 CG TYR B 41 -17.290 13.817 -33.387 1.00 30.85 C ATOM 1248 CD1 TYR B 41 -18.100 12.724 -33.640 1.00 31.05 C ATOM 1249 CD2 TYR B 41 -16.933 14.594 -34.451 1.00 33.13 C ATOM 1250 CE1 TYR B 41 -18.549 12.428 -34.883 1.00 33.41 C ATOM 1251 CE2 TYR B 41 -17.374 14.286 -35.750 1.00 35.60 C ATOM 1252 CZ TYR B 41 -18.149 13.205 -35.914 1.00 35.62 C ATOM 1253 OH TYR B 41 -18.573 12.927 -37.218 1.00 38.40 O ATOM 1254 HH TYR B 41 -19.135 12.112 -37.214 1.00 0.00 H ATOM 1255 H TYR B 41 -16.257 14.943 -29.656 1.00 0.00 H ATOM 1256 N ILE B 42 -19.079 13.218 -30.169 1.00 26.02 N ATOM 1257 CA ILE B 42 -20.261 12.402 -29.992 1.00 26.87 C ATOM 1258 C ILE B 42 -21.399 13.223 -29.371 1.00 26.27 C ATOM 1259 O ILE B 42 -22.543 13.201 -29.846 1.00 27.69 O ATOM 1260 CB ILE B 42 -19.962 11.128 -29.174 1.00 26.07 C ATOM 1261 CG1 ILE B 42 -18.891 10.274 -29.849 1.00 24.69 C ATOM 1262 CG2 ILE B 42 -21.239 10.371 -28.866 1.00 26.91 C ATOM 1263 CD1 ILE B 42 -18.283 9.253 -28.919 1.00 24.28 C ATOM 1264 H ILE B 42 -18.219 13.008 -29.623 1.00 0.00 H ATOM 1265 N LYS B 43 -21.069 13.972 -28.315 1.00 25.19 N ATOM 1266 CA LYS B 43 -22.073 14.808 -27.647 1.00 26.51 C ATOM 1267 C LYS B 43 -22.709 15.783 -28.601 1.00 30.25 C ATOM 1268 O LYS B 43 -23.941 15.887 -28.669 1.00 29.09 O ATOM 1269 CB LYS B 43 -21.433 15.536 -26.464 1.00 26.19 C ATOM 1270 CG LYS B 43 -22.339 16.470 -25.656 1.00 27.76 C ATOM 1271 CD LYS B 43 -22.452 17.850 -26.269 1.00 31.04 C ATOM 1272 CE LYS B 43 -22.892 18.893 -25.237 1.00 29.86 C ATOM 1273 NZ LYS B 43 -24.289 18.760 -24.731 1.00 31.39 N ATOM 1274 HZ1 LYS B 43 -24.954 18.841 -25.527 1.00 0.00 H ATOM 1275 HZ2 LYS B 43 -24.404 17.833 -24.274 1.00 0.00 H ATOM 1276 HZ3 LYS B 43 -24.480 19.514 -24.041 1.00 0.00 H ATOM 1277 H LYS B 43 -20.090 13.962 -27.963 1.00 0.00 H ATOM 1278 N LYS B 44 -21.886 16.487 -29.361 1.00 28.69 N ATOM 1279 CA LYS B 44 -22.398 17.511 -30.261 1.00 31.45 C ATOM 1280 C LYS B 44 -23.264 16.936 -31.390 1.00 36.89 C ATOM 1281 O LYS B 44 -24.318 17.504 -31.724 1.00 36.99 O ATOM 1282 CB LYS B 44 -21.262 18.353 -30.818 1.00 32.11 C ATOM 1283 CG LYS B 44 -20.619 19.257 -29.773 1.00 31.83 C ATOM 1284 CD LYS B 44 -19.334 19.839 -30.297 1.00 36.64 C ATOM 1285 CE LYS B 44 -18.727 20.854 -29.290 1.00 47.02 C ATOM 1286 NZ LYS B 44 -17.335 21.213 -29.654 1.00 56.79 N ATOM 1287 HZ1 LYS B 44 -16.746 20.356 -29.654 1.00 0.00 H ATOM 1288 HZ2 LYS B 44 -17.325 21.642 -30.601 1.00 0.00 H ATOM 1289 HZ3 LYS B 44 -16.961 21.892 -28.961 1.00 0.00 H ATOM 1290 H LYS B 44 -20.863 16.307 -29.315 1.00 0.00 H ATOM 1291 N GLU B 45 -22.874 15.767 -31.910 1.00 32.77 N ATOM 1292 CA GLU B 45 -23.650 15.100 -32.964 1.00 34.77 C ATOM 1293 C GLU B 45 -24.992 14.633 -32.429 1.00 34.91 C ATOM 1294 O GLU B 45 -26.022 14.745 -33.104 1.00 37.37 O ATOM 1295 CB GLU B 45 -22.865 13.901 -33.495 1.00 36.61 C ATOM 1296 CG GLU B 45 -21.715 14.282 -34.419 1.00 40.76 C ATOM 1297 CD GLU B 45 -22.182 15.058 -35.632 1.00 49.00 C ATOM 1298 OE1 GLU B 45 -23.039 14.538 -36.388 1.00 44.90 O ATOM 1299 OE2 GLU B 45 -21.707 16.201 -35.807 1.00 45.89 O ATOM 1300 H GLU B 45 -22.002 15.320 -31.560 1.00 0.00 H ATOM 1301 N PHE B 46 -24.997 14.097 -31.200 1.00 32.55 N ATOM 1302 CA PHE B 46 -26.249 13.636 -30.609 1.00 33.36 C ATOM 1303 C PHE B 46 -27.181 14.812 -30.265 1.00 34.27 C ATOM 1304 O PHE B 46 -28.402 14.710 -30.442 1.00 36.19 O ATOM 1305 CB PHE B 46 -25.995 12.668 -29.439 1.00 30.91 C ATOM 1306 CG PHE B 46 -26.234 11.235 -29.827 1.00 31.02 C ATOM 1307 CD1 PHE B 46 -25.508 10.671 -30.860 1.00 33.82 C ATOM 1308 CD2 PHE B 46 -27.184 10.470 -29.188 1.00 30.62 C ATOM 1309 CE1 PHE B 46 -25.733 9.356 -31.265 1.00 36.07 C ATOM 1310 CE2 PHE B 46 -27.419 9.149 -29.598 1.00 35.50 C ATOM 1311 CZ PHE B 46 -26.672 8.609 -30.648 1.00 33.04 C ATOM 1312 H PHE B 46 -24.108 14.010 -30.668 1.00 0.00 H ATOM 1313 N ASP B 47 -26.609 15.930 -29.803 1.00 33.73 N ATOM 1314 CA ASP B 47 -27.409 17.154 -29.641 1.00 35.70 C ATOM 1315 C ASP B 47 -28.113 17.547 -30.955 1.00 39.09 C ATOM 1316 O ASP B 47 -29.241 17.984 -30.933 1.00 41.28 O ATOM 1317 CB ASP B 47 -26.541 18.327 -29.141 1.00 38.47 C ATOM 1318 CG ASP B 47 -26.307 18.321 -27.639 1.00 38.26 C ATOM 1319 OD1 ASP B 47 -26.884 17.472 -26.923 1.00 35.02 O ATOM 1320 OD2 ASP B 47 -25.528 19.189 -27.170 1.00 39.24 O ATOM 1321 H ASP B 47 -25.598 15.934 -29.558 1.00 0.00 H ATOM 1322 N LYS B 48 -27.424 17.388 -32.075 1.00 39.75 N ATOM 1323 CA LYS B 48 -28.008 17.736 -33.387 1.00 43.27 C ATOM 1324 C LYS B 48 -28.985 16.685 -33.868 1.00 44.58 C ATOM 1325 O LYS B 48 -30.022 17.036 -34.443 1.00 47.74 O ATOM 1326 CB LYS B 48 -26.873 17.886 -34.378 1.00 43.67 C ATOM 1327 CG LYS B 48 -26.154 19.211 -34.279 1.00 60.91 C ATOM 1328 CD LYS B 48 -24.714 19.122 -34.762 1.00 66.42 C ATOM 1329 CE LYS B 48 -24.597 18.358 -36.063 1.00 62.92 C ATOM 1330 NZ LYS B 48 -23.265 18.558 -36.696 1.00 71.68 N ATOM 1331 HZ1 LYS B 48 -23.125 19.569 -36.894 1.00 0.00 H ATOM 1332 HZ2 LYS B 48 -22.522 18.224 -36.050 1.00 0.00 H ATOM 1333 HZ3 LYS B 48 -23.221 18.020 -37.585 1.00 0.00 H ATOM 1334 H LYS B 48 -26.455 17.012 -32.030 1.00 0.00 H ATOM 1335 N LYS B 49 -28.626 15.408 -33.771 1.00 42.69 N ATOM 1336 CA LYS B 49 -29.496 14.335 -34.291 1.00 44.21 C ATOM 1337 C LYS B 49 -30.710 14.045 -33.425 1.00 44.41 C ATOM 1338 O LYS B 49 -31.783 13.702 -33.919 1.00 47.03 O ATOM 1339 CB LYS B 49 -28.730 13.017 -34.503 1.00 42.57 C ATOM 1340 CG LYS B 49 -27.643 13.011 -35.581 1.00 43.13 C ATOM 1341 CD LYS B 49 -26.889 11.670 -35.586 1.00 60.92 C ATOM 1342 CE LYS B 49 -25.734 11.663 -36.574 1.00 51.96 C ATOM 1343 NZ LYS B 49 -26.184 12.063 -37.936 1.00 71.02 N ATOM 1344 HZ1 LYS B 49 -26.909 11.397 -38.270 1.00 0.00 H ATOM 1345 HZ2 LYS B 49 -26.583 13.023 -37.900 1.00 0.00 H ATOM 1346 HZ3 LYS B 49 -25.372 12.048 -38.586 1.00 0.00 H ATOM 1347 H LYS B 49 -27.720 15.162 -33.323 1.00 0.00 H ATOM 1348 N TYR B 50 -30.509 14.107 -32.108 1.00 41.79 N ATOM 1349 CA TYR B 50 -31.524 13.629 -31.156 1.00 41.69 C ATOM 1350 C TYR B 50 -31.896 14.657 -30.087 1.00 43.74 C ATOM 1351 O TYR B 50 -32.446 14.295 -29.047 1.00 45.68 O ATOM 1352 CB TYR B 50 -31.073 12.308 -30.550 1.00 39.17 C ATOM 1353 CG TYR B 50 -31.010 11.176 -31.541 1.00 40.13 C ATOM 1354 CD1 TYR B 50 -32.178 10.648 -32.084 1.00 42.93 C ATOM 1355 CD2 TYR B 50 -29.791 10.638 -31.945 1.00 38.59 C ATOM 1356 CE1 TYR B 50 -32.130 9.614 -32.984 1.00 44.12 C ATOM 1357 CE2 TYR B 50 -29.747 9.603 -32.889 1.00 51.09 C ATOM 1358 CZ TYR B 50 -30.928 9.103 -33.395 1.00 43.63 C ATOM 1359 OH TYR B 50 -30.932 8.061 -34.290 1.00 48.88 O ATOM 1360 HH TYR B 50 -30.427 8.322 -35.101 1.00 0.00 H ATOM 1361 H TYR B 50 -29.617 14.501 -31.747 1.00 0.00 H ATOM 1362 N ASN B 51 -31.604 15.927 -30.376 1.00 42.42 N ATOM 1363 CA ASN B 51 -31.973 17.088 -29.561 1.00 43.05 C ATOM 1364 C ASN B 51 -31.107 17.183 -28.314 1.00 41.14 C ATOM 1365 O ASN B 51 -30.635 16.175 -27.818 1.00 37.37 O ATOM 1366 CB ASN B 51 -33.442 17.064 -29.163 1.00 54.87 C ATOM 1367 CG ASN B 51 -34.346 17.406 -30.299 1.00 64.86 C ATOM 1368 OD1 ASN B 51 -33.991 18.195 -31.174 1.00 57.88 O ATOM 1369 ND2 ASN B 51 -35.533 16.812 -30.303 1.00 75.40 N ATOM 1370 HD22 ASN B 51 -35.787 16.152 -29.540 1.00 0.00 H ATOM 1371 HD21 ASN B 51 -36.209 17.006 -31.069 1.00 0.00 H ATOM 1372 H ASN B 51 -31.071 16.107 -31.251 1.00 0.00 H ATOM 1373 N PRO B 52 -30.868 18.398 -27.812 1.00 41.30 N ATOM 1374 CA PRO B 52 -30.102 18.470 -26.547 1.00 44.21 C ATOM 1375 C PRO B 52 -30.921 17.916 -25.386 1.00 43.52 C ATOM 1376 O PRO B 52 -32.136 17.775 -25.578 1.00 51.39 O ATOM 1377 CB PRO B 52 -29.870 19.973 -26.364 1.00 56.30 C ATOM 1378 CG PRO B 52 -30.084 20.572 -27.713 1.00 52.70 C ATOM 1379 CD PRO B 52 -31.072 19.713 -28.442 1.00 48.60 C ATOM 1380 N THR B 53 -30.329 17.601 -24.224 1.00 41.64 N ATOM 1381 CA THR B 53 -28.935 17.860 -23.898 1.00 42.76 C ATOM 1382 C THR B 53 -28.261 16.551 -23.535 1.00 33.33 C ATOM 1383 O THR B 53 -28.668 15.872 -22.585 1.00 34.04 O ATOM 1384 CB THR B 53 -28.840 18.817 -22.678 1.00 35.48 C ATOM 1385 OG1 THR B 53 -29.408 20.079 -23.039 1.00 42.46 O ATOM 1386 CG2 THR B 53 -27.408 19.025 -22.216 1.00 41.03 C ATOM 1387 HG1 THR B 53 -29.353 20.697 -22.268 1.00 0.00 H ATOM 1388 H THR B 53 -30.912 17.135 -23.500 1.00 0.00 H ATOM 1389 N TRP B 54 -27.221 16.204 -24.294 1.00 29.79 N ATOM 1390 CA TRP B 54 -26.451 14.980 -24.080 1.00 26.50 C ATOM 1391 C TRP B 54 -25.147 15.252 -23.366 1.00 24.69 C ATOM 1392 O TRP B 54 -24.634 16.357 -23.388 1.00 25.84 O ATOM 1393 CB TRP B 54 -26.154 14.265 -25.425 1.00 27.83 C ATOM 1394 CG TRP B 54 -27.383 13.776 -26.101 1.00 31.05 C ATOM 1395 CD1 TRP B 54 -28.206 14.497 -26.921 1.00 32.80 C ATOM 1396 CD2 TRP B 54 -27.936 12.458 -26.036 1.00 28.55 C ATOM 1397 NE1 TRP B 54 -29.243 13.703 -27.366 1.00 34.85 N ATOM 1398 CE2 TRP B 54 -29.109 12.455 -26.815 1.00 31.09 C ATOM 1399 CE3 TRP B 54 -27.566 11.286 -25.383 1.00 26.93 C ATOM 1400 CZ2 TRP B 54 -29.895 11.313 -26.988 1.00 32.02 C ATOM 1401 CZ3 TRP B 54 -28.358 10.153 -25.537 1.00 28.66 C ATOM 1402 CH2 TRP B 54 -29.517 10.176 -26.314 1.00 30.34 C ATOM 1403 HE1 TRP B 54 -30.001 14.002 -28.012 1.00 0.00 H ATOM 1404 H TRP B 54 -26.945 16.833 -25.074 1.00 0.00 H ATOM 1405 N HIS B 55 -24.610 14.208 -22.745 1.00 24.80 N ATOM 1406 CA HIS B 55 -23.335 14.259 -22.041 1.00 21.05 C ATOM 1407 C HIS B 55 -22.599 12.996 -22.434 1.00 22.50 C ATOM 1408 O HIS B 55 -23.257 11.963 -22.558 1.00 23.46 O ATOM 1409 CB HIS B 55 -23.560 14.291 -20.507 1.00 22.38 C ATOM 1410 CG HIS B 55 -24.627 15.238 -20.098 1.00 23.51 C ATOM 1411 ND1 HIS B 55 -24.389 16.583 -19.897 1.00 25.14 N ATOM 1412 CD2 HIS B 55 -25.954 15.053 -19.922 1.00 25.22 C ATOM 1413 CE1 HIS B 55 -25.520 17.175 -19.563 1.00 25.11 C ATOM 1414 NE2 HIS B 55 -26.481 16.263 -19.559 1.00 27.91 N ATOM 1415 H HIS B 55 -25.127 13.306 -22.762 1.00 0.00 H ATOM 1416 N CYS B 56 -21.282 13.071 -22.619 1.00 20.35 N ATOM 1417 CA CYS B 56 -20.523 11.924 -23.070 1.00 21.22 C ATOM 1418 C CYS B 56 -19.203 11.839 -22.279 1.00 19.34 C ATOM 1419 O CYS B 56 -18.494 12.845 -22.133 1.00 20.15 O ATOM 1420 CB CYS B 56 -20.270 12.046 -24.604 1.00 23.40 C ATOM 1421 SG CYS B 56 -19.522 10.601 -25.285 1.00 22.05 S ATOM 1422 H CYS B 56 -20.791 13.969 -22.436 1.00 0.00 H ATOM 1423 N ILE B 57 -18.897 10.622 -21.843 1.00 19.34 N ATOM 1424 CA ILE B 57 -17.631 10.278 -21.201 1.00 18.44 C ATOM 1425 C ILE B 57 -16.986 9.176 -22.029 1.00 18.50 C ATOM 1426 O ILE B 57 -17.660 8.214 -22.414 1.00 19.97 O ATOM 1427 CB ILE B 57 -17.859 9.772 -19.766 1.00 19.17 C ATOM 1428 CG1 ILE B 57 -18.821 10.659 -18.973 1.00 24.36 C ATOM 1429 CG2 ILE B 57 -16.504 9.493 -19.105 1.00 20.73 C ATOM 1430 CD1 ILE B 57 -18.418 11.899 -18.756 1.00 24.83 C ATOM 1431 H ILE B 57 -19.602 9.868 -21.966 1.00 0.00 H ATOM 1432 N VAL B 58 -15.684 9.322 -22.280 1.00 20.17 N ATOM 1433 CA VAL B 58 -14.926 8.360 -23.070 1.00 19.57 C ATOM 1434 C VAL B 58 -13.656 8.031 -22.305 1.00 18.41 C ATOM 1435 O VAL B 58 -12.894 8.907 -21.936 1.00 19.57 O ATOM 1436 CB VAL B 58 -14.561 8.941 -24.464 1.00 20.01 C ATOM 1437 CG1 VAL B 58 -13.645 8.019 -25.278 1.00 21.53 C ATOM 1438 CG2 VAL B 58 -15.823 9.243 -25.259 1.00 21.30 C ATOM 1439 H VAL B 58 -15.191 10.154 -21.897 1.00 0.00 H ATOM 1440 N GLY B 59 -13.395 6.751 -22.077 1.00 20.40 N ATOM 1441 CA GLY B 59 -12.200 6.393 -21.329 1.00 21.33 C ATOM 1442 C GLY B 59 -11.953 4.913 -21.120 1.00 22.27 C ATOM 1443 O GLY B 59 -12.787 4.084 -21.463 1.00 23.84 O ATOM 1444 H GLY B 59 -14.037 6.012 -22.429 1.00 0.00 H ATOM 1445 N ARG B 60 -10.784 4.599 -20.580 1.00 22.27 N ATOM 1446 CA ARG B 60 -10.394 3.233 -20.324 1.00 24.27 C ATOM 1447 C ARG B 60 -10.536 2.859 -18.838 1.00 22.14 C ATOM 1448 O ARG B 60 -10.582 1.676 -18.534 1.00 23.78 O ATOM 1449 CB ARG B 60 -8.966 3.005 -20.767 1.00 23.59 C ATOM 1450 CG ARG B 60 -8.773 3.209 -22.261 1.00 29.65 C ATOM 1451 CD ARG B 60 -7.308 3.187 -22.624 1.00 42.05 C ATOM 1452 NE ARG B 60 -7.112 3.495 -24.037 1.00 52.63 N ATOM 1453 CZ ARG B 60 -7.022 2.588 -25.005 1.00 57.49 C ATOM 1454 NH1 ARG B 60 -7.094 1.292 -24.731 1.00 61.87 N ATOM 1455 NH2 ARG B 60 -6.850 2.982 -26.259 1.00 57.65 N ATOM 1456 HE ARG B 60 -7.037 4.497 -24.306 1.00 0.00 H ATOM 1457 HH12 ARG B 60 -7.022 0.594 -25.498 1.00 0.00 H ATOM 1458 HH11 ARG B 60 -7.222 0.974 -23.749 1.00 0.00 H ATOM 1459 HH22 ARG B 60 -6.779 2.277 -27.020 1.00 0.00 H ATOM 1460 HH21 ARG B 60 -6.786 3.996 -26.481 1.00 0.00 H ATOM 1461 H ARG B 60 -10.124 5.364 -20.332 1.00 0.00 H ATOM 1462 N ASN B 61 -10.608 3.850 -17.942 1.00 21.92 N ATOM 1463 CA ASN B 61 -10.782 3.557 -16.521 1.00 20.75 C ATOM 1464 C ASN B 61 -11.635 4.626 -15.869 1.00 19.42 C ATOM 1465 O ASN B 61 -11.172 5.734 -15.560 1.00 20.41 O ATOM 1466 CB ASN B 61 -9.460 3.475 -15.791 1.00 22.61 C ATOM 1467 CG ASN B 61 -9.671 3.209 -14.318 1.00 22.95 C ATOM 1468 OD1 ASN B 61 -9.566 4.098 -13.487 1.00 25.62 O ATOM 1469 ND2 ASN B 61 -10.033 1.996 -14.005 1.00 26.21 N ATOM 1470 HD22 ASN B 61 -10.110 1.269 -14.745 1.00 0.00 H ATOM 1471 HD21 ASN B 61 -10.245 1.756 -13.016 1.00 0.00 H ATOM 1472 H ASN B 61 -10.540 4.838 -18.260 1.00 0.00 H ATOM 1473 N PHE B 62 -12.892 4.257 -15.641 1.00 18.92 N ATOM 1474 CA PHE B 62 -13.821 5.097 -14.904 1.00 20.30 C ATOM 1475 C PHE B 62 -15.050 4.338 -14.492 1.00 18.65 C ATOM 1476 O PHE B 62 -15.444 3.348 -15.122 1.00 19.52 O ATOM 1477 CB PHE B 62 -14.251 6.359 -15.679 1.00 18.32 C ATOM 1478 CG PHE B 62 -15.132 6.115 -16.875 1.00 19.04 C ATOM 1479 CD1 PHE B 62 -14.577 5.801 -18.094 1.00 19.16 C ATOM 1480 CD2 PHE B 62 -16.529 6.235 -16.785 1.00 19.17 C ATOM 1481 CE1 PHE B 62 -15.406 5.619 -19.224 1.00 20.31 C ATOM 1482 CE2 PHE B 62 -17.353 6.011 -17.844 1.00 18.95 C ATOM 1483 CZ PHE B 62 -16.785 5.694 -19.081 1.00 20.08 C ATOM 1484 H PHE B 62 -13.221 3.338 -16.001 1.00 0.00 H ATOM 1485 N GLY B 63 -15.654 4.833 -13.403 1.00 18.66 N ATOM 1486 CA GLY B 63 -16.980 4.408 -13.030 1.00 21.05 C ATOM 1487 C GLY B 63 -17.884 5.616 -12.969 1.00 19.85 C ATOM 1488 O GLY B 63 -17.422 6.742 -12.844 1.00 21.42 O ATOM 1489 H GLY B 63 -15.158 5.535 -12.818 1.00 0.00 H ATOM 1490 N SER B 64 -19.198 5.411 -13.054 1.00 19.74 N ATOM 1491 CA SER B 64 -20.125 6.526 -13.102 1.00 21.83 C ATOM 1492 C SER B 64 -21.393 6.153 -12.356 1.00 19.88 C ATOM 1493 O SER B 64 -21.774 4.985 -12.220 1.00 22.57 O ATOM 1494 CB SER B 64 -20.533 6.866 -14.545 1.00 21.19 C ATOM 1495 OG SER B 64 -21.382 5.910 -15.101 1.00 23.65 O ATOM 1496 HG SER B 64 -22.207 5.847 -14.558 1.00 0.00 H ATOM 1497 H SER B 64 -19.564 4.438 -13.086 1.00 0.00 H ATOM 1498 N TYR B 65 -22.060 7.207 -11.906 1.00 20.14 N ATOM 1499 CA TYR B 65 -23.391 7.075 -11.363 1.00 20.38 C ATOM 1500 C TYR B 65 -24.117 8.333 -11.824 1.00 22.62 C ATOM 1501 O TYR B 65 -23.790 9.451 -11.423 1.00 22.40 O ATOM 1502 CB TYR B 65 -23.367 6.916 -9.827 1.00 22.55 C ATOM 1503 CG TYR B 65 -24.673 6.415 -9.340 1.00 23.31 C ATOM 1504 CD1 TYR B 65 -24.931 5.067 -9.302 1.00 27.07 C ATOM 1505 CD2 TYR B 65 -25.669 7.289 -8.938 1.00 26.35 C ATOM 1506 CE1 TYR B 65 -26.143 4.569 -8.832 1.00 30.25 C ATOM 1507 CE2 TYR B 65 -26.874 6.822 -8.454 1.00 28.67 C ATOM 1508 CZ TYR B 65 -27.118 5.444 -8.415 1.00 26.98 C ATOM 1509 OH TYR B 65 -28.316 4.935 -7.956 1.00 31.60 O ATOM 1510 HH TYR B 65 -28.294 3.947 -8.007 1.00 0.00 H ATOM 1511 H TYR B 65 -21.616 8.147 -11.945 1.00 0.00 H ATOM 1512 N VAL B 66 -25.107 8.143 -12.692 1.00 24.05 N ATOM 1513 CA VAL B 66 -25.806 9.254 -13.339 1.00 21.56 C ATOM 1514 C VAL B 66 -27.280 8.988 -13.318 1.00 24.27 C ATOM 1515 O VAL B 66 -27.734 7.867 -13.009 1.00 25.83 O ATOM 1516 CB VAL B 66 -25.335 9.435 -14.801 1.00 23.89 C ATOM 1517 CG1 VAL B 66 -23.832 9.481 -14.875 1.00 22.85 C ATOM 1518 CG2 VAL B 66 -25.869 8.308 -15.727 1.00 26.16 C ATOM 1519 H VAL B 66 -25.395 7.170 -12.919 1.00 0.00 H ATOM 1520 N THR B 67 -28.041 10.021 -13.650 1.00 28.62 N ATOM 1521 CA THR B 67 -29.489 9.907 -13.679 1.00 30.26 C ATOM 1522 C THR B 67 -29.921 10.332 -15.067 1.00 32.05 C ATOM 1523 O THR B 67 -29.670 11.454 -15.477 1.00 38.47 O ATOM 1524 CB THR B 67 -30.151 10.804 -12.618 1.00 31.33 C ATOM 1525 OG1 THR B 67 -29.673 10.446 -11.316 1.00 32.07 O ATOM 1526 CG2 THR B 67 -31.637 10.627 -12.640 1.00 35.89 C ATOM 1527 HG1 THR B 67 -30.102 11.026 -10.637 1.00 0.00 H ATOM 1528 H THR B 67 -27.594 10.928 -13.894 1.00 0.00 H ATOM 1529 N HIS B 68 -30.533 9.425 -15.821 1.00 31.26 N ATOM 1530 CA HIS B 68 -30.806 9.733 -17.232 1.00 28.64 C ATOM 1531 C HIS B 68 -32.285 9.677 -17.550 1.00 31.33 C ATOM 1532 O HIS B 68 -33.066 8.994 -16.882 1.00 34.56 O ATOM 1533 CB HIS B 68 -30.053 8.776 -18.162 1.00 29.47 C ATOM 1534 CG HIS B 68 -30.519 7.364 -18.072 1.00 28.30 C ATOM 1535 ND1 HIS B 68 -31.615 6.900 -18.762 1.00 31.48 N ATOM 1536 CD2 HIS B 68 -30.017 6.302 -17.404 1.00 25.77 C ATOM 1537 CE1 HIS B 68 -31.782 5.613 -18.507 1.00 29.98 C ATOM 1538 NE2 HIS B 68 -30.825 5.229 -17.680 1.00 28.80 N ATOM 1539 H HIS B 68 -30.815 8.509 -15.418 1.00 0.00 H ATOM 1540 N GLU B 69 -32.655 10.407 -18.598 1.00 31.96 N ATOM 1541 CA GLU B 69 -33.980 10.344 -19.161 1.00 34.12 C ATOM 1542 C GLU B 69 -34.226 8.923 -19.679 1.00 33.59 C ATOM 1543 O GLU B 69 -33.314 8.295 -20.236 1.00 33.40 O ATOM 1544 CB GLU B 69 -34.103 11.390 -20.277 1.00 38.15 C ATOM 1545 CG GLU B 69 -35.446 11.404 -20.967 1.00 48.52 C ATOM 1546 CD GLU B 69 -35.548 12.472 -22.045 1.00 54.93 C ATOM 1547 OE1 GLU B 69 -34.644 13.327 -22.143 1.00 46.30 O ATOM 1548 OE2 GLU B 69 -36.541 12.452 -22.800 1.00 64.29 O ATOM 1549 H GLU B 69 -31.960 11.050 -19.029 1.00 0.00 H ATOM 1550 N THR B 70 -35.418 8.394 -19.445 1.00 38.78 N ATOM 1551 CA THR B 70 -35.761 7.066 -19.951 1.00 40.72 C ATOM 1552 C THR B 70 -35.557 7.029 -21.461 1.00 37.95 C ATOM 1553 O THR B 70 -35.839 8.000 -22.167 1.00 41.74 O ATOM 1554 CB THR B 70 -37.214 6.654 -19.610 1.00 50.25 C ATOM 1555 OG1 THR B 70 -38.126 7.622 -20.129 1.00 52.09 O ATOM 1556 CG2 THR B 70 -37.384 6.583 -18.130 1.00 53.56 C ATOM 1557 HG1 THR B 70 -38.023 7.677 -21.112 1.00 0.00 H ATOM 1558 H THR B 70 -36.119 8.930 -18.894 1.00 0.00 H ATOM 1559 N ARG B 71 -35.014 5.910 -21.926 1.00 42.01 N ATOM 1560 CA ARG B 71 -34.753 5.660 -23.349 1.00 37.09 C ATOM 1561 C ARG B 71 -33.635 6.531 -23.938 1.00 38.03 C ATOM 1562 O ARG B 71 -33.488 6.600 -25.153 1.00 39.12 O ATOM 1563 CB ARG B 71 -36.038 5.796 -24.178 1.00 41.10 C ATOM 1564 CG ARG B 71 -37.106 4.804 -23.764 1.00 48.21 C ATOM 1565 CD ARG B 71 -36.744 3.379 -24.202 1.00 58.45 C ATOM 1566 NE ARG B 71 -37.039 3.164 -25.615 1.00 62.27 N ATOM 1567 CZ ARG B 71 -36.623 2.122 -26.328 1.00 61.05 C ATOM 1568 NH1 ARG B 71 -36.962 2.029 -27.605 1.00 60.27 N ATOM 1569 NH2 ARG B 71 -35.876 1.175 -25.772 1.00 64.30 N ATOM 1570 HE ARG B 71 -37.618 3.879 -26.100 1.00 0.00 H ATOM 1571 HH12 ARG B 71 -36.641 1.217 -28.170 1.00 0.00 H ATOM 1572 HH11 ARG B 71 -37.549 2.768 -28.042 1.00 0.00 H ATOM 1573 HH22 ARG B 71 -35.556 0.364 -26.340 1.00 0.00 H ATOM 1574 HH21 ARG B 71 -35.611 1.244 -24.769 1.00 0.00 H ATOM 1575 H ARG B 71 -34.759 5.168 -21.243 1.00 0.00 H ATOM 1576 N HIS B 72 -32.824 7.155 -23.086 1.00 35.51 N ATOM 1577 CA HIS B 72 -31.723 8.002 -23.544 1.00 37.83 C ATOM 1578 C HIS B 72 -30.430 7.714 -22.793 1.00 31.25 C ATOM 1579 O HIS B 72 -29.818 8.601 -22.199 1.00 30.05 O ATOM 1580 CB HIS B 72 -32.103 9.484 -23.432 1.00 40.44 C ATOM 1581 CG HIS B 72 -33.195 9.888 -24.374 1.00 44.56 C ATOM 1582 ND1 HIS B 72 -34.528 9.684 -24.096 1.00 48.64 N ATOM 1583 CD2 HIS B 72 -33.150 10.471 -25.594 1.00 47.36 C ATOM 1584 CE1 HIS B 72 -35.259 10.128 -25.103 1.00 49.79 C ATOM 1585 NE2 HIS B 72 -34.449 10.611 -26.026 1.00 48.63 N ATOM 1586 H HIS B 72 -32.978 7.037 -22.064 1.00 0.00 H ATOM 1587 N PHE B 73 -29.992 6.459 -22.856 1.00 29.69 N ATOM 1588 CA PHE B 73 -28.768 6.054 -22.167 1.00 27.85 C ATOM 1589 C PHE B 73 -28.130 4.904 -22.946 1.00 25.82 C ATOM 1590 O PHE B 73 -28.812 3.955 -23.331 1.00 29.67 O ATOM 1591 CB PHE B 73 -29.104 5.646 -20.718 1.00 31.17 C ATOM 1592 CG PHE B 73 -27.991 5.010 -19.990 1.00 29.51 C ATOM 1593 CD1 PHE B 73 -27.773 3.647 -20.067 1.00 28.87 C ATOM 1594 CD2 PHE B 73 -27.151 5.780 -19.199 1.00 29.76 C ATOM 1595 CE1 PHE B 73 -26.716 3.058 -19.351 1.00 29.02 C ATOM 1596 CE2 PHE B 73 -26.113 5.192 -18.469 1.00 30.11 C ATOM 1597 CZ PHE B 73 -25.898 3.836 -18.558 1.00 30.79 C ATOM 1598 H PHE B 73 -30.528 5.756 -23.403 1.00 0.00 H ATOM 1599 N ILE B 74 -26.830 4.986 -23.147 1.00 25.82 N ATOM 1600 CA ILE B 74 -26.071 3.852 -23.644 1.00 25.48 C ATOM 1601 C ILE B 74 -24.697 3.872 -23.016 1.00 22.59 C ATOM 1602 O ILE B 74 -24.074 4.926 -22.850 1.00 24.21 O ATOM 1603 CB ILE B 74 -26.022 3.831 -25.192 1.00 26.15 C ATOM 1604 CG1 ILE B 74 -25.434 2.516 -25.743 1.00 28.05 C ATOM 1605 CG2 ILE B 74 -25.237 4.996 -25.734 1.00 26.09 C ATOM 1606 CD1 ILE B 74 -25.533 2.386 -27.254 1.00 28.13 C ATOM 1607 H ILE B 74 -26.338 5.880 -22.946 1.00 0.00 H ATOM 1608 N TYR B 75 -24.194 2.681 -22.761 1.00 25.65 N ATOM 1609 CA TYR B 75 -22.836 2.489 -22.269 1.00 22.71 C ATOM 1610 C TYR B 75 -22.270 1.337 -23.095 1.00 22.61 C ATOM 1611 O TYR B 75 -22.846 0.261 -23.128 1.00 25.51 O ATOM 1612 CB TYR B 75 -22.853 2.163 -20.765 1.00 22.70 C ATOM 1613 CG TYR B 75 -21.501 1.790 -20.227 1.00 23.03 C ATOM 1614 CD1 TYR B 75 -20.440 2.688 -20.269 1.00 22.89 C ATOM 1615 CD2 TYR B 75 -21.268 0.533 -19.700 1.00 23.89 C ATOM 1616 CE1 TYR B 75 -19.188 2.373 -19.761 1.00 20.57 C ATOM 1617 CE2 TYR B 75 -20.020 0.198 -19.193 1.00 25.48 C ATOM 1618 CZ TYR B 75 -18.974 1.097 -19.243 1.00 22.98 C ATOM 1619 OH TYR B 75 -17.724 0.739 -18.761 1.00 25.97 O ATOM 1620 HH TYR B 75 -17.389 -0.045 -19.265 1.00 0.00 H ATOM 1621 H TYR B 75 -24.791 1.844 -22.917 1.00 0.00 H ATOM 1622 N PHE B 76 -21.176 1.589 -23.803 1.00 23.34 N ATOM 1623 CA PHE B 76 -20.643 0.597 -24.743 1.00 24.30 C ATOM 1624 C PHE B 76 -19.149 0.767 -24.937 1.00 24.35 C ATOM 1625 O PHE B 76 -18.615 1.838 -24.697 1.00 25.01 O ATOM 1626 CB PHE B 76 -21.361 0.669 -26.113 1.00 25.60 C ATOM 1627 CG PHE B 76 -21.144 1.960 -26.896 1.00 25.93 C ATOM 1628 CD1 PHE B 76 -21.799 3.137 -26.557 1.00 24.51 C ATOM 1629 CD2 PHE B 76 -20.324 1.976 -28.012 1.00 27.04 C ATOM 1630 CE1 PHE B 76 -21.644 4.305 -27.303 1.00 26.18 C ATOM 1631 CE2 PHE B 76 -20.165 3.140 -28.785 1.00 27.33 C ATOM 1632 CZ PHE B 76 -20.791 4.296 -28.447 1.00 25.32 C ATOM 1633 H PHE B 76 -20.690 2.502 -23.690 1.00 0.00 H ATOM 1634 N TYR B 77 -18.505 -0.319 -25.387 1.00 24.72 N ATOM 1635 CA TYR B 77 -17.116 -0.255 -25.814 1.00 26.77 C ATOM 1636 C TYR B 77 -17.022 -0.195 -27.305 1.00 27.98 C ATOM 1637 O TYR B 77 -17.813 -0.824 -27.984 1.00 27.85 O ATOM 1638 CB TYR B 77 -16.346 -1.493 -25.357 1.00 31.14 C ATOM 1639 CG TYR B 77 -15.805 -1.389 -23.959 1.00 27.27 C ATOM 1640 CD1 TYR B 77 -16.607 -1.624 -22.875 1.00 29.50 C ATOM 1641 CD2 TYR B 77 -14.481 -1.043 -23.731 1.00 29.91 C ATOM 1642 CE1 TYR B 77 -16.114 -1.516 -21.553 1.00 27.03 C ATOM 1643 CE2 TYR B 77 -13.964 -0.916 -22.457 1.00 32.48 C ATOM 1644 CZ TYR B 77 -14.775 -1.155 -21.361 1.00 27.64 C ATOM 1645 OH TYR B 77 -14.257 -1.049 -20.079 1.00 28.68 O ATOM 1646 HH TYR B 77 -13.512 -1.692 -19.971 1.00 0.00 H ATOM 1647 H TYR B 77 -19.010 -1.227 -25.432 1.00 0.00 H ATOM 1648 N LEU B 78 -16.086 0.605 -27.787 1.00 27.20 N ATOM 1649 CA LEU B 78 -15.715 0.515 -29.195 1.00 29.16 C ATOM 1650 C LEU B 78 -14.221 0.262 -29.159 1.00 29.12 C ATOM 1651 O LEU B 78 -13.462 1.131 -28.740 1.00 29.65 O ATOM 1652 CB LEU B 78 -16.034 1.824 -29.921 1.00 34.81 C ATOM 1653 CG LEU B 78 -15.952 1.822 -31.449 1.00 32.51 C ATOM 1654 CD1 LEU B 78 -16.698 0.655 -32.098 1.00 31.74 C ATOM 1655 CD2 LEU B 78 -16.526 3.116 -32.014 1.00 39.67 C ATOM 1656 H LEU B 78 -15.617 1.295 -27.166 1.00 0.00 H ATOM 1657 N GLY B 79 -13.816 -0.942 -29.548 1.00 31.57 N ATOM 1658 CA GLY B 79 -12.449 -1.344 -29.284 1.00 35.58 C ATOM 1659 C GLY B 79 -12.199 -1.333 -27.790 1.00 36.93 C ATOM 1660 O GLY B 79 -12.990 -1.868 -26.995 1.00 34.92 O ATOM 1661 H GLY B 79 -14.471 -1.587 -30.035 1.00 0.00 H ATOM 1662 N GLN B 80 -11.099 -0.713 -27.410 1.00 33.58 N ATOM 1663 CA GLN B 80 -10.686 -0.746 -26.004 1.00 33.47 C ATOM 1664 C GLN B 80 -11.195 0.432 -25.198 1.00 33.60 C ATOM 1665 O GLN B 80 -10.905 0.524 -24.001 1.00 34.17 O ATOM 1666 CB GLN B 80 -9.164 -0.818 -25.893 1.00 40.57 C ATOM 1667 CG GLN B 80 -8.551 -1.998 -26.656 1.00 47.05 C ATOM 1668 CD GLN B 80 -9.282 -3.321 -26.411 1.00 67.76 C ATOM 1669 OE1 GLN B 80 -9.775 -3.580 -25.309 1.00 75.46 O ATOM 1670 NE2 GLN B 80 -9.365 -4.156 -27.449 1.00 66.55 N ATOM 1671 HE22 GLN B 80 -8.935 -3.898 -28.360 1.00 0.00 H ATOM 1672 HE21 GLN B 80 -9.860 -5.065 -27.347 1.00 0.00 H ATOM 1673 H GLN B 80 -10.524 -0.200 -28.109 1.00 0.00 H ATOM 1674 N VAL B 81 -11.962 1.334 -25.798 1.00 30.55 N ATOM 1675 CA VAL B 81 -12.402 2.531 -25.083 1.00 33.74 C ATOM 1676 C VAL B 81 -13.895 2.387 -24.750 1.00 24.59 C ATOM 1677 O VAL B 81 -14.716 1.928 -25.557 1.00 25.65 O ATOM 1678 CB VAL B 81 -12.072 3.801 -25.884 1.00 47.84 C ATOM 1679 CG1 VAL B 81 -13.098 4.065 -26.945 1.00 38.20 C ATOM 1680 CG2 VAL B 81 -11.930 4.981 -24.998 1.00 48.63 C ATOM 1681 H VAL B 81 -12.253 1.188 -26.786 1.00 0.00 H ATOM 1682 N ALA B 82 -14.238 2.764 -23.535 1.00 24.39 N ATOM 1683 CA ALA B 82 -15.609 2.763 -23.080 1.00 23.67 C ATOM 1684 C ALA B 82 -16.233 4.134 -23.287 1.00 23.39 C ATOM 1685 O ALA B 82 -15.597 5.159 -23.097 1.00 24.98 O ATOM 1686 CB ALA B 82 -15.704 2.358 -21.607 1.00 23.32 C ATOM 1687 H ALA B 82 -13.493 3.074 -22.879 1.00 0.00 H ATOM 1688 N ILE B 83 -17.510 4.114 -23.655 1.00 22.10 N ATOM 1689 CA ILE B 83 -18.250 5.318 -23.973 1.00 22.33 C ATOM 1690 C ILE B 83 -19.596 5.299 -23.230 1.00 20.80 C ATOM 1691 O ILE B 83 -20.393 4.375 -23.362 1.00 22.95 O ATOM 1692 CB ILE B 83 -18.474 5.436 -25.492 1.00 22.31 C ATOM 1693 CG1 ILE B 83 -17.131 5.451 -26.181 1.00 23.84 C ATOM 1694 CG2 ILE B 83 -19.281 6.690 -25.805 1.00 23.52 C ATOM 1695 CD1 ILE B 83 -17.165 5.397 -27.631 1.00 31.16 C ATOM 1696 H ILE B 83 -17.997 3.197 -23.717 1.00 0.00 H ATOM 1697 N LEU B 84 -19.815 6.345 -22.440 1.00 21.39 N ATOM 1698 CA LEU B 84 -21.090 6.584 -21.772 1.00 20.15 C ATOM 1699 C LEU B 84 -21.729 7.816 -22.420 1.00 20.15 C ATOM 1700 O LEU B 84 -21.081 8.844 -22.504 1.00 20.51 O ATOM 1701 CB LEU B 84 -20.822 6.862 -20.302 1.00 20.42 C ATOM 1702 CG LEU B 84 -21.978 7.467 -19.487 1.00 20.43 C ATOM 1703 CD1 LEU B 84 -23.175 6.582 -19.466 1.00 23.61 C ATOM 1704 CD2 LEU B 84 -21.506 7.793 -18.057 1.00 21.94 C ATOM 1705 H LEU B 84 -19.042 7.025 -22.291 1.00 0.00 H ATOM 1706 N LEU B 85 -22.989 7.672 -22.875 1.00 21.15 N ATOM 1707 CA LEU B 85 -23.675 8.736 -23.574 1.00 20.77 C ATOM 1708 C LEU B 85 -25.110 8.764 -23.077 1.00 23.08 C ATOM 1709 O LEU B 85 -25.806 7.771 -23.150 1.00 24.35 O ATOM 1710 CB LEU B 85 -23.608 8.456 -25.091 1.00 22.38 C ATOM 1711 CG LEU B 85 -24.390 9.374 -26.008 1.00 24.50 C ATOM 1712 CD1 LEU B 85 -23.831 10.767 -25.995 1.00 26.05 C ATOM 1713 CD2 LEU B 85 -24.380 8.769 -27.435 1.00 27.03 C ATOM 1714 H LEU B 85 -23.482 6.770 -22.719 1.00 0.00 H ATOM 1715 N PHE B 86 -25.576 9.912 -22.590 1.00 23.86 N ATOM 1716 CA PHE B 86 -26.939 9.971 -22.025 1.00 23.18 C ATOM 1717 C PHE B 86 -27.491 11.384 -21.986 1.00 24.33 C ATOM 1718 O PHE B 86 -26.701 12.355 -22.062 1.00 24.66 O ATOM 1719 CB PHE B 86 -26.939 9.376 -20.585 1.00 24.98 C ATOM 1720 CG PHE B 86 -26.189 10.227 -19.556 1.00 22.56 C ATOM 1721 CD1 PHE B 86 -24.812 10.196 -19.466 1.00 21.62 C ATOM 1722 CD2 PHE B 86 -26.886 11.052 -18.687 1.00 25.96 C ATOM 1723 CE1 PHE B 86 -24.136 11.000 -18.559 1.00 22.07 C ATOM 1724 CE2 PHE B 86 -26.236 11.834 -17.741 1.00 25.68 C ATOM 1725 CZ PHE B 86 -24.859 11.811 -17.672 1.00 22.14 C ATOM 1726 H PHE B 86 -24.982 10.765 -22.607 1.00 0.00 H ATOM 1727 N LYS B 87 -28.820 11.504 -21.865 1.00 28.48 N ATOM 1728 CA LYS B 87 -29.493 12.778 -21.558 1.00 31.94 C ATOM 1729 C LYS B 87 -29.882 12.772 -20.092 1.00 32.44 C ATOM 1730 O LYS B 87 -30.298 11.733 -19.599 1.00 32.89 O ATOM 1731 CB LYS B 87 -30.777 12.943 -22.366 1.00 36.64 C ATOM 1732 CG LYS B 87 -30.596 13.375 -23.759 1.00 39.88 C ATOM 1733 CD LYS B 87 -31.940 13.831 -24.318 1.00 43.86 C ATOM 1734 CE LYS B 87 -31.787 14.462 -25.675 1.00 59.45 C ATOM 1735 NZ LYS B 87 -33.033 15.167 -26.065 1.00 51.68 N ATOM 1736 HZ1 LYS B 87 -33.820 14.487 -26.095 1.00 0.00 H ATOM 1737 HZ2 LYS B 87 -33.242 15.910 -25.368 1.00 0.00 H ATOM 1738 HZ3 LYS B 87 -32.908 15.596 -27.004 1.00 0.00 H ATOM 1739 H LYS B 87 -29.406 10.655 -21.994 1.00 0.00 H ATOM 1740 N SER B 88 -29.792 13.908 -19.400 1.00 36.34 N ATOM 1741 CA SER B 88 -30.071 13.890 -17.951 1.00 40.18 C ATOM 1742 C SER B 88 -31.560 13.822 -17.662 1.00 54.11 C ATOM 1743 O SER B 88 -32.387 14.217 -18.490 1.00 49.63 O ATOM 1744 CB SER B 88 -29.477 15.102 -17.226 1.00 39.92 C ATOM 1745 OG SER B 88 -29.947 15.131 -15.876 1.00 36.63 O ATOM 1746 HG SER B 88 -30.935 15.197 -15.873 1.00 0.00 H ATOM 1747 H SER B 88 -29.529 14.795 -19.875 1.00 0.00 H ATOM 1748 N GLY B 89 -31.884 13.305 -16.478 1.00 56.10 N ATOM 1749 CA GLY B 89 -33.240 13.314 -15.972 1.00 59.39 C ATOM 1750 C GLY B 89 -33.428 14.496 -15.042 1.00 66.18 C ATOM 1751 O GLY B 89 -32.554 15.362 -14.963 1.00 64.26 O ATOM 1752 OXT GLY B 89 -34.445 14.625 -14.352 1.00 64.48 O ATOM 1753 H GLY B 89 -31.135 12.879 -15.896 1.00 0.00 H TER 1754 GLY B 89 HETATM 1755 O HOH 1 -11.347 20.883 -17.463 1.00 44.55 O HETATM 1756 O HOH 2 -9.404 3.628 -8.523 1.00 66.29 O HETATM 1757 O HOH 3 -0.635 11.295 1.600 1.00 47.88 O HETATM 1758 O HOH 4 -28.804 17.376 -13.750 1.00 42.20 O HETATM 1759 O HOH 5 -5.091 15.229 5.886 1.00 55.60 O HETATM 1760 O HOH 6 -29.992 10.483 -5.279 1.00 36.38 O HETATM 1761 O HOH 7 -31.110 19.291 -0.940 1.00 42.10 O HETATM 1762 O HOH 8 -31.546 24.273 -2.032 1.00 45.08 O HETATM 1763 O HOH 9 -17.617 25.299 -16.865 1.00 38.34 O HETATM 1764 O HOH 10 -29.633 10.993 -2.679 1.00 36.57 O HETATM 1765 O HOH 11 -4.228 14.672 -6.173 1.00 35.03 O HETATM 1766 O HOH 12 -5.421 10.256 -14.106 1.00 31.86 O HETATM 1767 O HOH 13 -4.080 9.233 -12.025 1.00 37.39 O HETATM 1768 O HOH 14 -31.116 16.663 2.664 1.00 44.98 O HETATM 1769 O HOH 15 -16.731 0.113 3.778 1.00 24.55 O HETATM 1770 O HOH 16 -7.816 16.213 0.823 1.00 39.54 O HETATM 1771 O HOH 17 -19.493 -2.983 -6.467 1.00 48.84 O HETATM 1772 O HOH 18 -22.121 26.796 -6.279 1.00 38.89 O HETATM 1773 O HOH 19 -15.707 26.071 -15.305 1.00 45.93 O HETATM 1774 O HOH 20 -10.942 26.212 -6.787 1.00 48.09 O HETATM 1775 O HOH 21 -10.657 3.411 4.672 1.00 59.04 O HETATM 1776 O HOH 22 -31.061 19.308 -11.869 1.00 42.88 O HETATM 1777 O HOH 23 -10.690 -0.314 -7.846 1.00 51.85 O HETATM 1778 O HOH 24 -2.359 12.239 -2.500 1.00 44.26 O HETATM 1779 O HOH 25 -10.592 3.546 -1.861 1.00 41.73 O HETATM 1780 O HOH 26 -12.888 0.571 -9.728 1.00 28.19 O HETATM 1781 O HOH 27 -18.825 29.740 -0.462 1.00 47.51 O HETATM 1782 O HOH 28 -5.966 8.556 -22.731 1.00 38.19 O HETATM 1783 O HOH 29 -5.155 7.837 -4.560 1.00 44.45 O HETATM 1784 O HOH 30 -17.272 7.041 4.809 1.00 43.42 O HETATM 1785 O HOH 31 -22.775 1.869 -7.832 1.00 36.12 O HETATM 1786 O HOH 32 -6.790 22.633 -5.287 1.00 44.15 O HETATM 1787 O HOH 33 -11.414 26.637 -11.755 1.00 49.00 O HETATM 1788 O HOH 34 -5.080 23.098 -10.523 1.00 62.02 O HETATM 1789 O HOH 35 -31.448 18.175 -19.618 1.00 51.39 O HETATM 1790 O HOH 36 -17.710 31.270 -3.351 1.00 55.79 O HETATM 1791 O HOH 37 -8.190 0.000 0.000 1.00 56.84 O HETATM 1792 O HOH 38 -15.890 28.668 -9.402 1.00 43.92 O HETATM 1793 O HOH 39 -14.291 24.937 -18.861 1.00 52.17 O HETATM 1794 O HOH 40 -3.550 21.815 -10.837 1.00 54.03 O HETATM 1795 O HOH 41 -2.949 15.859 -10.079 1.00 62.25 O HETATM 1796 O HOH 42 -9.599 25.922 -9.804 1.00 62.32 O HETATM 1797 O HOH 43 -2.413 14.123 -9.855 1.00 59.84 O HETATM 1798 O HOH 44 -10.046 26.265 2.533 1.00 58.13 O HETATM 1799 O HOH 45 -18.346 -4.332 -8.436 1.00 60.73 O HETATM 1800 O HOH 46 -24.652 0.981 -8.090 1.00 51.98 O HETATM 1801 O HOH 47 -30.062 8.446 -1.509 1.00 52.06 O HETATM 1802 O HOH 48 -21.913 21.783 -27.497 1.00 40.93 O HETATM 1803 O HOH 49 -7.033 16.369 -15.526 1.00 32.05 O HETATM 1804 O HOH 50 -16.561 25.496 -19.444 1.00 38.33 O HETATM 1805 O HOH 51 -11.418 13.889 -17.274 1.00 38.55 O HETATM 1806 O HOH 52 -21.175 26.611 -23.384 1.00 49.29 O HETATM 1807 O HOH 53 -13.941 23.118 -20.758 1.00 44.06 O HETATM 1808 O HOH 54 -9.112 18.770 -18.073 1.00 31.70 O HETATM 1809 O HOH 55 -5.285 17.122 -19.287 1.00 51.84 O HETATM 1810 O HOH 56 -4.118 18.508 -17.936 1.00 56.96 O HETATM 1811 O HOH 57 -7.113 19.141 -16.106 1.00 44.51 O HETATM 1812 O HOH 58 -4.945 12.834 -23.375 1.00 38.97 O HETATM 1813 O HOH 59 -4.662 15.701 -23.524 1.00 45.81 O HETATM 1814 O HOH 60 -23.759 -0.615 -16.553 1.00 44.55 O HETATM 1815 O HOH 61 -7.844 6.330 -25.493 1.00 66.29 O HETATM 1816 O HOH 62 -10.099 -5.098 -35.616 1.00 47.88 O HETATM 1817 O HOH 63 -29.450 16.257 -20.266 1.00 42.20 O HETATM 1818 O HOH 64 -15.734 -3.206 -39.902 1.00 55.60 O HETATM 1819 O HOH 65 -24.075 20.732 -28.737 1.00 36.38 O HETATM 1820 O HOH 66 -32.261 17.297 -33.076 1.00 42.10 O HETATM 1821 O HOH 67 -36.794 15.183 -31.984 1.00 45.08 O HETATM 1822 O HOH 68 -30.718 2.607 -17.151 1.00 38.34 O HETATM 1823 O HOH 69 -24.337 20.166 -31.337 1.00 36.57 O HETATM 1824 O HOH 70 -14.820 -3.674 -27.843 1.00 35.03 O HETATM 1825 O HOH 71 -11.592 -0.433 -19.910 1.00 31.86 O HETATM 1826 O HOH 72 -10.036 -1.083 -21.991 1.00 37.39 O HETATM 1827 O HOH 73 -29.989 18.616 -36.680 1.00 44.98 O HETATM 1828 O HOH 74 -8.463 14.433 -37.794 1.00 24.55 O HETATM 1829 O HOH 75 -17.949 -1.338 -34.839 1.00 39.54 O HETATM 1830 O HOH 76 -7.163 18.373 -27.549 1.00 48.84 O HETATM 1831 O HOH 77 -34.267 5.759 -27.737 1.00 38.89 O HETATM 1832 O HOH 78 -30.432 0.567 -18.711 1.00 45.93 O HETATM 1833 O HOH 79 -28.171 -3.630 -27.229 1.00 48.09 O HETATM 1834 O HOH 80 -8.283 7.524 -38.688 1.00 59.04 O HETATM 1835 O HOH 81 -32.252 17.246 -22.147 1.00 42.88 O HETATM 1836 O HOH 82 -5.073 9.415 -26.170 1.00 51.85 O HETATM 1837 O HOH 83 -11.779 -4.077 -31.516 1.00 44.26 O HETATM 1838 O HOH 84 -8.367 7.400 -32.155 1.00 41.73 O HETATM 1839 O HOH 85 -6.939 10.876 -24.288 1.00 28.19 O HETATM 1840 O HOH 86 -35.168 1.433 -33.554 1.00 47.51 O HETATM 1841 O HOH 87 -10.393 0.889 -11.285 1.00 38.19 O HETATM 1842 O HOH 88 -9.365 0.546 -29.456 1.00 44.45 O HETATM 1843 O HOH 89 -14.734 11.437 -38.825 1.00 43.42 O HETATM 1844 O HOH 90 -13.006 18.789 -26.184 1.00 36.12 O HETATM 1845 O HOH 91 -22.996 -5.436 -28.729 1.00 44.15 O HETATM 1846 O HOH 92 -28.775 -3.434 -22.261 1.00 49.00 O HETATM 1847 O HOH 93 -22.543 -7.150 -23.493 1.00 62.02 O HETATM 1848 O HOH 94 -31.464 18.147 -14.398 1.00 51.39 O HETATM 1849 O HOH 95 -35.936 -0.298 -30.665 1.00 55.79 O HETATM 1850 O HOH 96 -32.772 -0.573 -24.614 1.00 43.92 O HETATM 1851 O HOH 97 -28.742 -0.092 -15.155 1.00 52.17 O HETATM 1852 O HOH 98 -20.667 -7.833 -23.179 1.00 54.03 O HETATM 1853 O HOH 99 -15.209 -5.376 -23.937 1.00 62.25 O HETATM 1854 O HOH 100 -27.249 -4.648 -24.212 1.00 62.32 O HETATM 1855 O HOH 101 -13.437 -4.972 -24.161 1.00 59.84 O HETATM 1856 O HOH 102 -27.769 -4.432 -36.549 1.00 58.13 O HETATM 1857 O HOH 103 -5.421 18.054 -25.580 1.00 60.73 O HETATM 1858 O HOH 104 -13.176 20.859 -25.926 1.00 51.98 O HETATM 1859 O HOH 105 -22.345 21.811 -32.507 1.00 52.06 O HETATM 1860 O HOH 106 -29.821 8.086 -6.519 1.00 40.93 O HETATM 1861 O HOH 107 -17.692 -2.094 -18.490 1.00 32.05 O HETATM 1862 O HOH 108 -30.361 1.594 -14.572 1.00 38.33 O HETATM 1863 O HOH 109 -17.737 2.944 -16.742 1.00 38.55 O HETATM 1864 O HOH 110 -33.633 5.033 -10.632 1.00 49.29 O HETATM 1865 O HOH 111 -26.991 0.514 -13.258 1.00 44.06 O HETATM 1866 O HOH 112 -20.811 -1.494 -15.943 1.00 31.70 O HETATM 1867 O HOH 113 -17.471 -3.984 -14.729 1.00 51.84 O HETATM 1868 O HOH 114 -18.087 -5.688 -16.080 1.00 56.96 O HETATM 1869 O HOH 115 -20.133 -3.410 -17.910 1.00 44.51 O HETATM 1870 O HOH 116 -13.587 -2.135 -10.641 1.00 38.97 O HETATM 1871 O HOH 117 -15.928 -3.813 -10.492 1.00 45.81 O HETATM 1872 N LYS A 118 -29.300 28.730 -16.905 1.00 0.24 N HETATM 1873 CA LYS A 118 -28.169 28.941 -17.807 1.00 0.07 C HETATM 1874 C LYS A 118 -27.265 27.713 -17.801 1.00 0.23 C HETATM 1875 O LYS A 118 -26.979 27.149 -16.736 1.00 -0.39 O HETATM 1876 N LYS A 118 -26.810 27.307 -18.988 1.00 -0.26 N HETATM 1877 CA LYS A 118 -26.008 26.089 -19.137 1.00 0.13 C HETATM 1878 C LYS A 118 -24.706 26.354 -19.886 1.00 0.20 C HETATM 1879 O LYS A 118 -24.660 27.135 -20.830 1.00 -0.39 O HETATM 1880 N LYS A 118 -23.657 25.660 -19.467 1.00 -0.26 N HETATM 1881 CA LYS A 118 -22.318 25.838 -19.998 1.00 0.13 C HETATM 1882 C LYS A 118 -21.770 24.474 -20.380 1.00 0.20 C HETATM 1883 O LYS A 118 -21.885 23.547 -19.610 1.00 -0.39 O HETATM 1884 N LYS A 118 -21.141 24.367 -21.547 1.00 -0.26 N HETATM 1885 CA LYS A 118 -20.385 23.173 -21.914 1.00 0.14 C HETATM 1886 C LYS A 118 -19.027 23.185 -21.190 1.00 0.21 C HETATM 1887 O LYS A 118 -18.400 24.241 -21.038 1.00 -0.39 O HETATM 1888 N LYS A 118 -18.580 22.016 -20.756 1.00 -0.26 N HETATM 1889 CA LYS A 118 -17.272 21.849 -20.148 1.00 0.13 C HETATM 1890 C LYS A 118 -16.676 20.523 -20.621 1.00 0.20 C HETATM 1891 O LYS A 118 -17.389 19.548 -20.818 1.00 -0.39 O HETATM 1892 N LYS A 118 -15.362 20.527 -20.815 1.00 -0.26 N HETATM 1893 CA LYS A 118 -14.576 19.361 -21.179 1.00 0.13 C HETATM 1894 C LYS A 118 -13.554 19.100 -20.101 1.00 0.20 C HETATM 1895 O LYS A 118 -13.013 20.031 -19.502 1.00 -0.39 O HETATM 1896 N LYS A 118 -13.326 17.824 -19.846 1.00 -0.26 N HETATM 1897 CA LYS A 118 -12.274 17.403 -18.921 1.00 0.16 C HETATM 1898 C LYS A 118 -11.462 16.283 -19.542 1.00 0.21 C HETATM 1899 O LYS A 118 -11.966 15.498 -20.355 1.00 -0.39 O HETATM 1900 N LYS A 118 -10.200 16.206 -19.157 1.00 -0.26 N HETATM 1901 CA LYS A 118 -9.341 15.106 -19.627 1.00 0.13 C HETATM 1902 C LYS A 118 -8.370 14.762 -18.487 1.00 0.20 C HETATM 1903 O LYS A 118 -7.661 15.637 -18.012 1.00 -0.39 O HETATM 1904 N LYS A 118 -8.337 13.482 -18.096 1.00 -0.26 N HETATM 1905 CA LYS A 118 -7.367 13.011 -17.102 1.00 0.16 C HETATM 1906 C LYS A 118 -5.945 13.137 -17.569 1.00 0.21 C HETATM 1907 O LYS A 118 -5.683 13.086 -18.783 1.00 -0.39 O HETATM 1908 N LYS A 118 -5.047 13.263 -16.620 1.00 -0.26 N HETATM 1909 CA LYS A 118 -3.645 13.355 -16.883 1.00 0.13 C HETATM 1910 C LYS A 118 -3.127 12.032 -17.341 1.00 0.20 C HETATM 1911 O LYS A 118 -2.297 11.982 -18.191 1.00 -0.39 O HETATM 1912 N LYS A 118 -3.634 10.950 -16.796 1.00 -0.27 N HETATM 1913 CA LYS A 118 -3.261 9.620 -17.239 1.00 0.10 C HETATM 1914 C LYS A 118 -4.392 8.964 -18.057 1.00 0.06 C HETATM 1915 O LYS A 118 -5.362 9.649 -18.433 1.00 -0.57 O HETATM 1916 OXT LYS A 118 -4.243 7.723 -18.264 1.00 -0.57 O HETATM 1917 CB LYS A 118 -2.939 8.685 -16.084 1.00 -0.01 C HETATM 1918 CG LYS A 118 -1.980 9.250 -15.077 1.00 0.00 C HETATM 1919 CD LYS A 118 -0.653 9.591 -15.680 1.00 0.04 C HETATM 1920 OE1 LYS A 118 0.004 10.504 -15.136 1.00 -0.57 O HETATM 1921 OE2 LYS A 118 -0.292 8.961 -16.699 1.00 -0.57 O HETATM 1922 H78 LYS A 118 -1.825 8.507 -14.281 1.00 0.04 H HETATM 1923 H79 LYS A 118 -2.417 10.163 -14.647 1.00 0.04 H HETATM 1924 H76 LYS A 118 -2.500 7.765 -16.498 1.00 0.03 H HETATM 1925 H77 LYS A 118 -3.878 8.442 -15.566 1.00 0.03 H HETATM 1926 H75 LYS A 118 -2.369 9.714 -17.875 1.00 0.07 H HETATM 1927 H74 LYS A 118 -4.297 11.046 -16.053 1.00 0.19 H HETATM 1928 CB LYS A 118 -2.891 13.798 -15.641 1.00 -0.00 C HETATM 1929 CG LYS A 118 -3.601 14.827 -14.803 1.00 0.00 C HETATM 1930 CD LYS A 118 -3.291 16.240 -15.153 1.00 0.04 C HETATM 1931 OE1 LYS A 118 -2.176 16.532 -15.586 1.00 -0.57 O HETATM 1932 OE2 LYS A 118 -4.165 17.072 -14.957 1.00 -0.57 O HETATM 1933 H72 LYS A 118 -3.320 14.665 -13.752 1.00 0.04 H HETATM 1934 H73 LYS A 118 -4.684 14.675 -14.920 1.00 0.04 H HETATM 1935 H70 LYS A 118 -1.927 14.222 -15.959 1.00 0.03 H HETATM 1936 H71 LYS A 118 -2.713 12.911 -15.015 1.00 0.03 H HETATM 1937 H69 LYS A 118 -3.483 14.097 -17.679 1.00 0.08 H HETATM 1938 H68 LYS A 118 -5.358 13.296 -15.670 1.00 0.19 H HETATM 1939 CB LYS A 118 -7.596 11.535 -16.737 1.00 0.09 C HETATM 1940 OG1 LYS A 118 -7.691 10.731 -17.934 1.00 -0.39 O HETATM 1941 H64 LYS A 118 -6.884 10.807 -18.430 1.00 0.21 H HETATM 1942 CG2 LYS A 118 -8.866 11.380 -15.924 1.00 -0.03 C HETATM 1943 H65 LYS A 118 -9.013 10.319 -15.672 1.00 0.03 H HETATM 1944 H66 LYS A 118 -9.724 11.740 -16.511 1.00 0.03 H HETATM 1945 H67 LYS A 118 -8.783 11.968 -14.998 1.00 0.03 H HETATM 1946 H63 LYS A 118 -6.744 11.183 -16.137 1.00 0.06 H HETATM 1947 H62 LYS A 118 -7.493 13.623 -16.197 1.00 0.08 H HETATM 1948 H61 LYS A 118 -8.988 12.833 -18.490 1.00 0.19 H HETATM 1949 CB LYS A 118 -8.561 15.543 -20.851 1.00 0.00 C HETATM 1950 CG LYS A 118 -7.621 14.478 -21.400 1.00 0.04 C HETATM 1951 CD LYS A 118 -8.349 13.233 -21.807 1.00 0.17 C HETATM 1952 OE1 LYS A 118 -9.246 13.283 -22.631 1.00 -0.40 O HETATM 1953 NE2 LYS A 118 -7.993 12.085 -21.204 1.00 -0.30 N HETATM 1954 H59 LYS A 118 -8.453 11.230 -21.445 1.00 0.18 H HETATM 1955 H60 LYS A 118 -7.269 12.086 -20.515 1.00 0.18 H HETATM 1956 H57 LYS A 118 -6.886 14.220 -20.623 1.00 0.05 H HETATM 1957 H58 LYS A 118 -7.099 14.886 -22.278 1.00 0.05 H HETATM 1958 H55 LYS A 118 -7.963 16.427 -20.583 1.00 0.03 H HETATM 1959 H56 LYS A 118 -9.278 15.811 -21.641 1.00 0.03 H HETATM 1960 H54 LYS A 118 -9.956 14.229 -19.877 1.00 0.08 H HETATM 1961 H53 LYS A 118 -9.826 16.900 -18.542 1.00 0.19 H HETATM 1962 CB LYS A 118 -12.843 16.935 -17.532 1.00 0.09 C HETATM 1963 OG1 LYS A 118 -13.496 15.667 -17.639 1.00 -0.39 O HETATM 1964 H49 LYS A 118 -14.217 15.734 -18.255 1.00 0.21 H HETATM 1965 CG2 LYS A 118 -13.829 17.939 -16.935 1.00 -0.03 C HETATM 1966 H50 LYS A 118 -14.194 17.563 -15.968 1.00 0.03 H HETATM 1967 H51 LYS A 118 -14.678 18.072 -17.622 1.00 0.03 H HETATM 1968 H52 LYS A 118 -13.324 18.905 -16.786 1.00 0.03 H HETATM 1969 H48 LYS A 118 -11.994 16.833 -16.840 1.00 0.06 H HETATM 1970 H47 LYS A 118 -11.611 18.263 -18.746 1.00 0.08 H HETATM 1971 H46 LYS A 118 -13.886 17.129 -20.296 1.00 0.19 H HETATM 1972 CB LYS A 118 -13.845 19.601 -22.429 1.00 -0.02 C HETATM 1973 H43 LYS A 118 -13.257 18.708 -22.687 1.00 0.03 H HETATM 1974 H44 LYS A 118 -13.170 20.460 -22.300 1.00 0.03 H HETATM 1975 H45 LYS A 118 -14.560 19.815 -23.237 1.00 0.03 H HETATM 1976 H42 LYS A 118 -15.239 18.491 -21.294 1.00 0.08 H HETATM 1977 H41 LYS A 118 -14.879 21.395 -20.702 1.00 0.19 H HETATM 1978 CB LYS A 118 -17.385 21.870 -18.606 1.00 -0.02 C HETATM 1979 H38 LYS A 118 -16.386 21.742 -18.163 1.00 0.03 H HETATM 1980 H39 LYS A 118 -18.040 21.051 -18.275 1.00 0.03 H HETATM 1981 H40 LYS A 118 -17.809 22.832 -18.282 1.00 0.03 H HETATM 1982 H37 LYS A 118 -16.618 22.674 -20.467 1.00 0.08 H HETATM 1983 H36 LYS A 118 -19.169 21.213 -20.851 1.00 0.19 H HETATM 1984 CB LYS A 118 -20.130 23.125 -23.432 1.00 0.04 C HETATM 1985 CG LYS A 118 -21.397 22.958 -24.254 1.00 0.04 C HETATM 1986 OD1 LYS A 118 -22.463 22.609 -23.710 1.00 -0.57 O HETATM 1987 OD2 LYS A 118 -21.308 23.177 -25.489 1.00 -0.57 O HETATM 1988 H34 LYS A 118 -19.462 22.278 -23.646 1.00 0.05 H HETATM 1989 H35 LYS A 118 -19.641 24.063 -23.733 1.00 0.05 H HETATM 1990 H33 LYS A 118 -20.954 22.281 -21.614 1.00 0.08 H HETATM 1991 H32 LYS A 118 -21.187 25.128 -22.194 1.00 0.19 H HETATM 1992 CB LYS A 118 -21.371 26.425 -18.929 1.00 -0.00 C HETATM 1993 CG1 LYS A 118 -21.981 27.633 -18.227 1.00 -0.05 C HETATM 1994 CD1 LYS A 118 -21.096 28.158 -17.093 1.00 -0.06 C HETATM 1995 H29 LYS A 118 -21.580 29.026 -16.622 1.00 0.02 H HETATM 1996 H30 LYS A 118 -20.119 28.459 -17.500 1.00 0.02 H HETATM 1997 H31 LYS A 118 -20.953 27.366 -16.343 1.00 0.02 H HETATM 1998 H24 LYS A 118 -22.956 27.343 -17.809 1.00 0.03 H HETATM 1999 H25 LYS A 118 -22.123 28.436 -18.965 1.00 0.03 H HETATM 2000 CG2 LYS A 118 -20.056 26.766 -19.562 1.00 -0.06 C HETATM 2001 H26 LYS A 118 -19.646 25.874 -20.058 1.00 0.02 H HETATM 2002 H27 LYS A 118 -19.355 27.110 -18.788 1.00 0.02 H HETATM 2003 H28 LYS A 118 -20.203 27.564 -20.305 1.00 0.02 H HETATM 2004 H23 LYS A 118 -21.195 25.651 -18.168 1.00 0.03 H HETATM 2005 H22 LYS A 118 -22.351 26.500 -20.876 1.00 0.08 H HETATM 2006 H21 LYS A 118 -23.795 24.979 -18.748 1.00 0.19 H HETATM 2007 CB LYS A 118 -26.803 25.013 -19.854 1.00 -0.02 C HETATM 2008 H18 LYS A 118 -26.186 24.108 -19.956 1.00 0.03 H HETATM 2009 H19 LYS A 118 -27.092 25.374 -20.852 1.00 0.03 H HETATM 2010 H20 LYS A 118 -27.707 24.777 -19.273 1.00 0.03 H HETATM 2011 H17 LYS A 118 -25.756 25.723 -18.131 1.00 0.08 H HETATM 2012 H16 LYS A 118 -27.023 27.850 -19.800 1.00 0.19 H HETATM 2013 CB LYS A 118 -27.364 30.176 -17.394 1.00 0.01 C HETATM 2014 CG LYS A 118 -28.209 31.335 -16.898 1.00 -0.04 C HETATM 2015 CD LYS A 118 -27.344 32.496 -16.407 1.00 -0.01 C HETATM 2016 CE LYS A 118 -27.089 32.437 -14.901 1.00 -0.04 C HETATM 2017 NZ LYS A 118 -28.341 32.416 -14.083 1.00 0.22 N HETATM 2018 H13 LYS A 118 -28.102 32.377 -13.104 1.00 0.20 H HETATM 2019 H14 LYS A 118 -28.889 31.606 -14.328 1.00 0.20 H HETATM 2020 H15 LYS A 118 -28.876 33.251 -14.265 1.00 0.20 H HETATM 2021 H11 LYS A 118 -26.500 33.320 -14.613 1.00 0.08 H HETATM 2022 H12 LYS A 118 -26.514 31.525 -14.681 1.00 0.08 H HETATM 2023 H9 LYS A 118 -27.855 33.441 -16.642 1.00 0.03 H HETATM 2024 H10 LYS A 118 -26.377 32.462 -16.930 1.00 0.03 H HETATM 2025 H7 LYS A 118 -28.841 30.986 -16.068 1.00 0.03 H HETATM 2026 H8 LYS A 118 -28.847 31.689 -17.721 1.00 0.03 H HETATM 2027 H5 LYS A 118 -26.787 30.519 -18.266 1.00 0.03 H HETATM 2028 H6 LYS A 118 -26.674 29.884 -16.589 1.00 0.03 H HETATM 2029 H4 LYS A 118 -28.555 29.095 -18.826 1.00 0.11 H HETATM 2030 H1 LYS A 118 -29.893 29.545 -16.914 1.00 0.20 H HETATM 2031 H2 LYS A 118 -28.959 28.573 -15.970 1.00 0.20 H HETATM 2032 H3 LYS A 118 -29.828 27.927 -17.210 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 1872 1873 2030 2031 2032 CONECT 1873 1872 1874 2013 2029 CONECT 1874 1873 1875 1876 CONECT 1875 1874 CONECT 1876 1874 1877 2012 CONECT 1877 1876 1878 2007 2011 CONECT 1878 1877 1879 1880 CONECT 1879 1878 CONECT 1880 1878 1881 2006 CONECT 1881 1880 1882 1992 2005 CONECT 1882 1881 1883 1884 CONECT 1883 1882 CONECT 1884 1882 1885 1991 CONECT 1885 1884 1886 1984 1990 CONECT 1886 1885 1887 1888 CONECT 1887 1886 CONECT 1888 1886 1889 1983 CONECT 1889 1888 1890 1978 1982 CONECT 1890 1889 1891 1892 CONECT 1891 1890 CONECT 1892 1890 1893 1977 CONECT 1893 1892 1894 1972 1976 CONECT 1894 1893 1895 1896 CONECT 1895 1894 CONECT 1896 1894 1897 1971 CONECT 1897 1896 1898 1962 1970 CONECT 1898 1897 1899 1900 CONECT 1899 1898 CONECT 1900 1898 1901 1961 CONECT 1901 1900 1902 1949 1960 CONECT 1902 1901 1903 1904 CONECT 1903 1902 CONECT 1904 1902 1905 1948 CONECT 1905 1904 1906 1939 1947 CONECT 1906 1905 1907 1908 CONECT 1907 1906 CONECT 1908 1906 1909 1938 CONECT 1909 1908 1910 1928 1937 CONECT 1910 1909 1911 1912 CONECT 1911 1910 CONECT 1912 1910 1913 1927 CONECT 1913 1912 1914 1917 1926 CONECT 1914 1913 1915 1916 CONECT 1915 1914 CONECT 1916 1914 CONECT 1917 1913 1918 1924 1925 CONECT 1918 1917 1919 1922 1923 CONECT 1919 1918 1920 1921 CONECT 1920 1919 CONECT 1921 1919 CONECT 1922 1918 CONECT 1923 1918 CONECT 1924 1917 CONECT 1925 1917 CONECT 1926 1913 CONECT 1927 1912 CONECT 1928 1909 1929 1935 1936 CONECT 1929 1928 1930 1933 1934 CONECT 1930 1929 1931 1932 CONECT 1931 1930 CONECT 1932 1930 CONECT 1933 1929 CONECT 1934 1929 CONECT 1935 1928 CONECT 1936 1928 CONECT 1937 1909 CONECT 1938 1908 CONECT 1939 1905 1940 1942 1946 CONECT 1940 1939 1941 CONECT 1941 1940 CONECT 1942 1939 1943 1944 1945 CONECT 1943 1942 CONECT 1944 1942 CONECT 1945 1942 CONECT 1946 1939 CONECT 1947 1905 CONECT 1948 1904 CONECT 1949 1901 1950 1958 1959 CONECT 1950 1949 1951 1956 1957 CONECT 1951 1950 1952 1953 CONECT 1952 1951 CONECT 1953 1951 1954 1955 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1950 CONECT 1957 1950 CONECT 1958 1949 CONECT 1959 1949 CONECT 1960 1901 CONECT 1961 1900 CONECT 1962 1897 1963 1965 1969 CONECT 1963 1962 1964 CONECT 1964 1963 CONECT 1965 1962 1966 1967 1968 CONECT 1966 1965 CONECT 1967 1965 CONECT 1968 1965 CONECT 1969 1962 CONECT 1970 1897 CONECT 1971 1896 CONECT 1972 1893 1973 1974 1975 CONECT 1973 1972 CONECT 1974 1972 CONECT 1975 1972 CONECT 1976 1893 CONECT 1977 1892 CONECT 1978 1889 1979 1980 1981 CONECT 1979 1978 CONECT 1980 1978 CONECT 1981 1978 CONECT 1982 1889 CONECT 1983 1888 CONECT 1984 1885 1985 1988 1989 CONECT 1985 1984 1986 1987 CONECT 1986 1985 CONECT 1987 1985 CONECT 1988 1984 CONECT 1989 1984 CONECT 1990 1885 CONECT 1991 1884 CONECT 1992 1881 1993 2000 2004 CONECT 1993 1992 1994 1998 1999 CONECT 1994 1993 1995 1996 1997 CONECT 1995 1994 CONECT 1996 1994 CONECT 1997 1994 CONECT 1998 1993 CONECT 1999 1993 CONECT 2000 1992 2001 2002 2003 CONECT 2001 2000 CONECT 2002 2000 CONECT 2003 2000 CONECT 2004 1992 CONECT 2005 1881 CONECT 2006 1880 CONECT 2007 1877 2008 2009 2010 CONECT 2008 2007 CONECT 2009 2007 CONECT 2010 2007 CONECT 2011 1877 CONECT 2012 1876 CONECT 2013 1873 2014 2027 2028 CONECT 2014 2013 2015 2025 2026 CONECT 2015 2014 2016 2023 2024 CONECT 2016 2015 2017 2021 2022 CONECT 2017 2016 2018 2019 2020 CONECT 2018 2017 CONECT 2019 2017 CONECT 2020 2017 CONECT 2021 2016 CONECT 2022 2016 CONECT 2023 2015 CONECT 2024 2015 CONECT 2025 2014 CONECT 2026 2014 CONECT 2027 2013 CONECT 2028 2013 CONECT 2029 1873 CONECT 2030 1872 CONECT 2031 1872 CONECT 2032 1872 MASTER 0 0 0 0 0 0 0 0 2030 2 169 14 END
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Entry Information
PDB ID
5e0l
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
dimeric hub protein, LC8
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
1.31(Å)
Affinity (Kd/Ki/IC50)
Kd=0.4uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochemistry Vol. 55: pp. 199-209
Ligand Properties
Formula
C
4
8
H
8
3
N
1
3
O
2
1
Molecular Weight
1178.250
Exact Mass
1177.580
No. of atoms
165
No. of bonds
164
Polar Surface Area
579.03
LOGP Value
-5.80 (
Computed with XLOGP3
)
-4.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CCC(=O)O)[C@H](O)C)CCC(=O)N)[C@H](O)C)C)C)CC(=O)O)[C@H](CC)C)C)[NH3+]
InChI String
InChI=1S/C48H81N13O21/c1-8-20(2)35(59-39(72)23(5)53-41(74)26(50)11-9-10-18-49)45(78)58-30(19-34(69)70)44(77)54-21(3)38(71)52-22(4)40(73)60-36(24(6)62)46(79)55-27(12-15-31(51)64)43(76)61-37(25(7)63)47(80)56-28(13-16-32(65)66)42(75)57-29(48(81)82)14-17-33(67)68/h20-30,35-37,62-63H,8-19,49-50H2,1-7H3,(H2,51,64)(H,52,71)(H,53,74)(H,54,77)(H,55,79)(H,56,80)(H,57,75)(H,58,78)(H,59,72)(H,60,73)(H,61,76)(H,65,66)(H,67,68)(H,69,70)(H,81,82)/p+2/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,35-,36-,37-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q24117
Q9H4H8
Entrez Gene ID
NCBI Entrez Gene ID:
31405
81610
ASD
Information of known allosteric effects of PDB entries
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