Browse entries in the PDBbind-CN Database
HEADER 4WX7_COMPLEX COMPND 4WX7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 204 SER GLY SER SER GLU GLN GLU LEU ALA ALA ILE VAL ARG SEQRES 2 A 204 ASP LEU GLY CYS GLY PRO TYR PHE LEU GLY THR HIS ASP SEQRES 3 A 204 LYS ARG PHE PRO GLY PHE LEU ALA GLY ASN LYS LEU ALA SEQRES 4 A 204 CYS ALA ILE VAL ASN THR ALA GLY ARG GLU THR GLY GLY SEQRES 5 A 204 VAL HIS TRP LEU ALA PHE GLY TRP ASN PRO ARG SER ARG SEQRES 6 A 204 THR CYS TYR MET PHE ASP PRO PHE GLY PHE SER ASP ARG SEQRES 7 A 204 ARG LEU LYS GLN ILE TYR SER PHE GLU TYR GLU ALA MET SEQRES 8 A 204 LEU ARG ARG SER ALA LEU ALA LEU SER PRO ASP ARG CYS SEQRES 9 A 204 LEU SER LEU GLU GLN SER THR GLN THR VAL GLN GLY PRO SEQRES 10 A 204 ASP SER ALA ALA CYS GLY LEU PHE CYS CYS MET PHE LEU SEQRES 11 A 204 HIS ALA PHE VAL HIS TRP PRO ASP ARG PRO MET ASP GLY SEQRES 12 A 204 ASN PRO THR MET ASN LEU LEU THR GLY VAL PRO ASN GLY SEQRES 13 A 204 MET LEU GLN SER PRO GLN VAL LEU PRO THR LEU ARG ARG SEQRES 14 A 204 ASN GLN GLU LYS LEU TYR ARG PHE LEU ALA HIS HIS SER SEQRES 15 A 204 PRO TYR PHE ARG SER HIS ARG ALA ALA ILE GLU HIS ALA SEQRES 16 A 204 THR ALA PHE ASP LYS MET LYS GLN LEU HET UNN A 214 54 ATOM 1 N SER A 1 30.412 54.521 -23.271 1.00 43.99 N ATOM 2 CA SER A 1 30.668 53.082 -23.651 1.00 46.53 C ATOM 3 C SER A 1 30.524 52.054 -22.506 1.00 43.06 C ATOM 4 O SER A 1 31.448 51.846 -21.726 1.00 39.73 O ATOM 5 CB SER A 1 32.056 52.935 -24.296 1.00 49.70 C ATOM 6 OG SER A 1 32.267 51.598 -24.740 1.00 49.84 O ATOM 7 HG SER A 1 32.206 50.982 -23.968 1.00 0.00 H ATOM 8 HN3 SER A 1 31.085 54.808 -22.532 1.00 0.00 H ATOM 9 HN2 SER A 1 29.441 54.616 -22.912 1.00 0.00 H ATOM 10 HN1 SER A 1 30.534 55.126 -24.108 1.00 0.00 H ATOM 11 N GLY A 2 29.375 51.383 -22.435 1.00 40.53 N ATOM 12 CA GLY A 2 29.122 50.399 -21.382 1.00 33.99 C ATOM 13 C GLY A 2 28.303 50.960 -20.226 1.00 32.39 C ATOM 14 O GLY A 2 27.651 51.997 -20.357 1.00 35.14 O ATOM 15 H GLY A 2 28.639 51.563 -23.147 1.00 0.00 H ATOM 16 N SER A 3 28.322 50.271 -19.089 1.00 29.68 N ATOM 17 CA SER A 3 27.726 50.794 -17.858 1.00 29.25 C ATOM 18 C SER A 3 28.604 50.548 -16.611 1.00 27.27 C ATOM 19 O SER A 3 29.155 49.475 -16.445 1.00 28.95 O ATOM 20 CB SER A 3 26.249 50.349 -17.681 1.00 31.88 C ATOM 21 OG SER A 3 25.852 49.181 -18.425 1.00 38.16 O ATOM 22 HG SER A 3 24.899 48.983 -18.243 1.00 0.00 H ATOM 23 H SER A 3 28.773 49.334 -19.074 1.00 0.00 H ATOM 24 N SER A 4 28.719 51.559 -15.756 1.00 28.54 N ATOM 25 CA SER A 4 29.600 51.577 -14.562 1.00 30.42 C ATOM 26 C SER A 4 29.011 50.955 -13.281 1.00 27.35 C ATOM 27 O SER A 4 27.829 51.068 -13.054 1.00 28.50 O ATOM 28 CB SER A 4 30.018 53.034 -14.235 1.00 32.01 C ATOM 29 OG SER A 4 29.023 53.734 -13.467 1.00 36.69 O ATOM 30 HG SER A 4 28.875 53.260 -12.611 1.00 0.00 H ATOM 31 H SER A 4 28.145 52.407 -15.939 1.00 0.00 H ATOM 32 N GLU A 5 29.859 50.410 -12.403 1.00 26.52 N ATOM 33 CA GLU A 5 29.389 49.780 -11.135 1.00 27.42 C ATOM 34 C GLU A 5 28.488 50.636 -10.261 1.00 28.37 C ATOM 35 O GLU A 5 27.625 50.112 -9.532 1.00 27.23 O ATOM 36 CB GLU A 5 30.551 49.265 -10.285 1.00 26.79 C ATOM 37 CG GLU A 5 30.968 50.156 -9.136 1.00 26.89 C ATOM 38 CD GLU A 5 32.244 49.645 -8.498 1.00 31.23 C ATOM 39 OE1 GLU A 5 33.295 49.742 -9.188 1.00 31.99 O ATOM 40 OE2 GLU A 5 32.206 49.140 -7.331 1.00 29.40 O ATOM 41 H GLU A 5 30.878 50.426 -12.610 1.00 0.00 H ATOM 42 N GLN A 6 28.730 51.946 -10.300 1.00 28.44 N ATOM 43 CA GLN A 6 27.936 52.912 -9.557 1.00 28.41 C ATOM 44 C GLN A 6 26.512 52.943 -10.162 1.00 26.86 C ATOM 45 O GLN A 6 25.507 53.005 -9.472 1.00 25.89 O ATOM 46 CB GLN A 6 28.606 54.295 -9.640 1.00 29.90 C ATOM 47 CG GLN A 6 29.910 54.453 -8.829 1.00 31.82 C ATOM 48 CD GLN A 6 31.208 54.098 -9.583 1.00 34.04 C ATOM 49 OE1 GLN A 6 32.189 53.679 -8.945 1.00 33.51 O ATOM 50 NE2 GLN A 6 31.218 54.240 -10.935 1.00 29.08 N ATOM 51 HE22 GLN A 6 30.373 54.595 -11.427 1.00 0.00 H ATOM 52 HE21 GLN A 6 32.071 53.994 -11.477 1.00 0.00 H ATOM 53 H GLN A 6 29.518 52.291 -10.885 1.00 0.00 H ATOM 54 N GLU A 7 26.443 52.863 -11.473 1.00 25.23 N ATOM 55 CA GLU A 7 25.189 53.038 -12.115 1.00 25.75 C ATOM 56 C GLU A 7 24.336 51.761 -12.003 1.00 26.08 C ATOM 57 O GLU A 7 23.129 51.839 -11.784 1.00 24.98 O ATOM 58 CB GLU A 7 25.447 53.509 -13.523 1.00 25.81 C ATOM 59 CG GLU A 7 24.425 53.080 -14.504 1.00 26.66 C ATOM 60 CD GLU A 7 25.033 52.958 -15.873 1.00 27.91 C ATOM 61 OE1 GLU A 7 25.925 53.774 -16.217 1.00 28.01 O ATOM 62 OE2 GLU A 7 24.609 52.041 -16.600 1.00 28.10 O ATOM 63 H GLU A 7 27.298 52.673 -12.034 1.00 0.00 H ATOM 64 N LEU A 8 24.969 50.591 -12.072 1.00 24.47 N ATOM 65 CA LEU A 8 24.253 49.344 -11.800 1.00 23.69 C ATOM 66 C LEU A 8 23.889 49.141 -10.331 1.00 23.79 C ATOM 67 O LEU A 8 22.851 48.566 -10.048 1.00 25.68 O ATOM 68 CB LEU A 8 25.039 48.131 -12.275 1.00 22.44 C ATOM 69 CG LEU A 8 25.502 48.068 -13.709 1.00 22.95 C ATOM 70 CD1 LEU A 8 26.100 46.696 -13.895 1.00 23.53 C ATOM 71 CD2 LEU A 8 24.430 48.326 -14.752 1.00 21.81 C ATOM 72 H LEU A 8 25.978 50.564 -12.321 1.00 0.00 H ATOM 73 N ALA A 9 24.725 49.569 -9.384 1.00 22.44 N ATOM 74 CA ALA A 9 24.284 49.516 -7.984 1.00 20.36 C ATOM 75 C ALA A 9 23.075 50.407 -7.773 1.00 18.73 C ATOM 76 O ALA A 9 22.143 50.027 -7.101 1.00 18.42 O ATOM 77 CB ALA A 9 25.400 49.895 -7.025 1.00 20.97 C ATOM 78 H ALA A 9 25.668 49.932 -9.631 1.00 0.00 H ATOM 79 N ALA A 10 23.083 51.598 -8.360 1.00 18.49 N ATOM 80 CA ALA A 10 21.908 52.469 -8.267 1.00 17.17 C ATOM 81 C ALA A 10 20.697 51.758 -8.879 1.00 16.76 C ATOM 82 O ALA A 10 19.685 51.555 -8.229 1.00 17.15 O ATOM 83 CB ALA A 10 22.166 53.803 -8.930 1.00 15.84 C ATOM 84 H ALA A 10 23.923 51.913 -8.886 1.00 0.00 H ATOM 85 N ILE A 11 20.814 51.332 -10.119 1.00 17.81 N ATOM 86 CA ILE A 11 19.692 50.712 -10.778 1.00 18.99 C ATOM 87 C ILE A 11 19.164 49.471 -10.060 1.00 21.43 C ATOM 88 O ILE A 11 17.941 49.259 -10.062 1.00 22.39 O ATOM 89 CB ILE A 11 19.990 50.394 -12.252 1.00 18.46 C ATOM 90 CG1 ILE A 11 20.282 51.724 -12.984 1.00 16.26 C ATOM 91 CG2 ILE A 11 18.829 49.558 -12.857 1.00 18.33 C ATOM 92 CD1 ILE A 11 20.363 51.600 -14.473 1.00 15.36 C ATOM 93 H ILE A 11 21.717 51.443 -10.624 1.00 0.00 H ATOM 94 N VAL A 12 20.076 48.663 -9.498 1.00 20.88 N ATOM 95 CA VAL A 12 19.738 47.473 -8.715 1.00 23.77 C ATOM 96 C VAL A 12 19.019 47.812 -7.371 1.00 26.78 C ATOM 97 O VAL A 12 18.043 47.151 -7.003 1.00 29.50 O ATOM 98 CB VAL A 12 20.974 46.540 -8.526 1.00 22.48 C ATOM 99 CG1 VAL A 12 20.854 45.647 -7.312 1.00 23.17 C ATOM 100 CG2 VAL A 12 21.208 45.684 -9.756 1.00 20.52 C ATOM 101 H VAL A 12 21.082 48.896 -9.626 1.00 0.00 H ATOM 102 N ARG A 13 19.468 48.836 -6.659 1.00 26.01 N ATOM 103 CA ARG A 13 18.725 49.295 -5.482 1.00 26.90 C ATOM 104 C ARG A 13 17.305 49.788 -5.880 1.00 24.45 C ATOM 105 O ARG A 13 16.304 49.494 -5.211 1.00 22.68 O ATOM 106 CB ARG A 13 19.536 50.383 -4.735 1.00 29.13 C ATOM 107 CG ARG A 13 18.905 50.956 -3.454 1.00 30.43 C ATOM 108 CD ARG A 13 18.907 52.504 -3.407 1.00 32.37 C ATOM 109 NE ARG A 13 18.295 53.098 -4.607 1.00 31.80 N ATOM 110 CZ ARG A 13 18.955 53.835 -5.505 1.00 34.12 C ATOM 111 NH1 ARG A 13 20.241 54.159 -5.322 1.00 32.42 N ATOM 112 NH2 ARG A 13 18.323 54.278 -6.580 1.00 33.96 N ATOM 113 HE ARG A 13 17.281 52.933 -4.766 1.00 0.00 H ATOM 114 HH12 ARG A 13 20.739 54.734 -6.032 1.00 0.00 H ATOM 115 HH11 ARG A 13 20.742 53.836 -4.470 1.00 0.00 H ATOM 116 HH22 ARG A 13 18.831 54.852 -7.282 1.00 0.00 H ATOM 117 HH21 ARG A 13 17.318 54.052 -6.722 1.00 0.00 H ATOM 118 H ARG A 13 20.349 49.314 -6.936 1.00 0.00 H ATOM 119 N ASP A 14 17.226 50.516 -6.992 1.00 24.21 N ATOM 120 CA ASP A 14 15.950 51.019 -7.507 1.00 22.52 C ATOM 121 C ASP A 14 14.994 49.865 -7.806 1.00 23.55 C ATOM 122 O ASP A 14 13.776 50.034 -7.725 1.00 21.38 O ATOM 123 CB ASP A 14 16.167 51.800 -8.800 1.00 22.12 C ATOM 124 CG ASP A 14 16.543 53.240 -8.561 1.00 22.47 C ATOM 125 OD1 ASP A 14 16.292 53.736 -7.443 1.00 23.44 O ATOM 126 OD2 ASP A 14 17.061 53.879 -9.493 1.00 20.76 O ATOM 127 H ASP A 14 18.099 50.735 -7.512 1.00 0.00 H ATOM 128 N LEU A 15 15.553 48.695 -8.138 1.00 23.59 N ATOM 129 CA LEU A 15 14.729 47.555 -8.562 1.00 25.57 C ATOM 130 C LEU A 15 14.178 46.744 -7.377 1.00 25.66 C ATOM 131 O LEU A 15 13.288 45.896 -7.546 1.00 24.03 O ATOM 132 CB LEU A 15 15.469 46.668 -9.568 1.00 25.09 C ATOM 133 CG LEU A 15 15.643 47.153 -11.015 1.00 25.29 C ATOM 134 CD1 LEU A 15 15.482 45.969 -11.930 1.00 24.27 C ATOM 135 CD2 LEU A 15 14.663 48.225 -11.432 1.00 26.64 C ATOM 136 H LEU A 15 16.587 48.591 -8.095 1.00 0.00 H ATOM 137 N GLY A 16 14.708 47.018 -6.182 1.00 24.85 N ATOM 138 CA GLY A 16 14.179 46.393 -4.989 1.00 25.28 C ATOM 139 C GLY A 16 15.087 45.315 -4.449 1.00 26.01 C ATOM 140 O GLY A 16 14.706 44.565 -3.567 1.00 25.25 O ATOM 141 H GLY A 16 15.504 47.683 -6.109 1.00 0.00 H ATOM 142 N CYS A 17 16.310 45.257 -4.955 1.00 26.14 N ATOM 143 CA CYS A 17 17.204 44.176 -4.582 1.00 25.08 C ATOM 144 C CYS A 17 18.063 44.600 -3.392 1.00 26.69 C ATOM 145 O CYS A 17 18.919 43.829 -2.917 1.00 27.64 O ATOM 146 CB CYS A 17 18.074 43.793 -5.770 1.00 24.72 C ATOM 147 SG CYS A 17 17.154 43.631 -7.322 1.00 24.90 S ATOM 148 H CYS A 17 16.631 45.988 -5.621 1.00 0.00 H ATOM 149 N GLY A 18 17.818 45.816 -2.897 1.00 26.28 N ATOM 150 CA GLY A 18 18.597 46.371 -1.794 1.00 27.28 C ATOM 151 C GLY A 18 18.801 45.342 -0.693 1.00 29.25 C ATOM 152 O GLY A 18 19.968 45.052 -0.357 1.00 33.11 O ATOM 153 H GLY A 18 17.050 46.384 -3.309 1.00 0.00 H ATOM 154 N PRO A 19 17.694 44.745 -0.157 1.00 24.64 N ATOM 155 CA PRO A 19 17.818 43.731 0.906 1.00 23.24 C ATOM 156 C PRO A 19 18.545 42.440 0.503 1.00 21.94 C ATOM 157 O PRO A 19 18.834 41.632 1.369 1.00 19.00 O ATOM 158 CB PRO A 19 16.350 43.388 1.255 1.00 23.14 C ATOM 159 CG PRO A 19 15.519 44.496 0.705 1.00 21.61 C ATOM 160 CD PRO A 19 16.280 44.972 -0.511 1.00 23.80 C ATOM 161 N TYR A 20 18.833 42.232 -0.783 1.00 21.82 N ATOM 162 CA TYR A 20 19.463 40.979 -1.195 1.00 21.78 C ATOM 163 C TYR A 20 20.785 41.112 -1.987 1.00 22.11 C ATOM 164 O TYR A 20 21.422 40.113 -2.328 1.00 21.14 O ATOM 165 CB TYR A 20 18.468 40.138 -1.995 1.00 21.11 C ATOM 166 CG TYR A 20 17.039 40.167 -1.468 1.00 21.35 C ATOM 167 CD1 TYR A 20 16.664 39.413 -0.358 1.00 21.31 C ATOM 168 CD2 TYR A 20 16.066 40.925 -2.100 1.00 20.75 C ATOM 169 CE1 TYR A 20 15.380 39.443 0.130 1.00 20.43 C ATOM 170 CE2 TYR A 20 14.779 40.939 -1.619 1.00 22.75 C ATOM 171 CZ TYR A 20 14.455 40.185 -0.501 1.00 21.26 C ATOM 172 OH TYR A 20 13.175 40.208 -0.039 1.00 22.25 O ATOM 173 HH TYR A 20 13.102 39.625 0.758 1.00 0.00 H ATOM 174 H TYR A 20 18.610 42.960 -1.491 1.00 0.00 H ATOM 175 N PHE A 21 21.192 42.341 -2.270 1.00 21.71 N ATOM 176 CA PHE A 21 22.286 42.576 -3.207 1.00 22.50 C ATOM 177 C PHE A 21 23.639 42.550 -2.511 1.00 23.17 C ATOM 178 O PHE A 21 23.789 43.109 -1.418 1.00 22.27 O ATOM 179 CB PHE A 21 22.107 43.926 -3.910 1.00 22.31 C ATOM 180 CG PHE A 21 23.047 44.155 -5.058 1.00 24.18 C ATOM 181 CD1 PHE A 21 23.113 43.247 -6.138 1.00 25.52 C ATOM 182 CD2 PHE A 21 23.847 45.292 -5.095 1.00 25.02 C ATOM 183 CE1 PHE A 21 23.958 43.479 -7.228 1.00 25.14 C ATOM 184 CE2 PHE A 21 24.710 45.520 -6.176 1.00 26.17 C ATOM 185 CZ PHE A 21 24.757 44.614 -7.238 1.00 25.92 C ATOM 186 H PHE A 21 20.724 43.152 -1.817 1.00 0.00 H ATOM 187 N LEU A 22 24.614 41.918 -3.159 1.00 22.95 N ATOM 188 CA LEU A 22 25.962 41.879 -2.647 1.00 25.70 C ATOM 189 C LEU A 22 26.972 42.777 -3.345 1.00 29.45 C ATOM 190 O LEU A 22 28.180 42.555 -3.187 1.00 33.40 O ATOM 191 CB LEU A 22 26.488 40.471 -2.721 1.00 25.22 C ATOM 192 CG LEU A 22 25.729 39.468 -1.918 1.00 25.59 C ATOM 193 CD1 LEU A 22 26.217 38.129 -2.432 1.00 27.12 C ATOM 194 CD2 LEU A 22 26.066 39.725 -0.462 1.00 25.70 C ATOM 195 H LEU A 22 24.399 41.440 -4.057 1.00 0.00 H ATOM 196 N GLY A 23 26.522 43.778 -4.102 1.00 28.90 N ATOM 197 CA GLY A 23 27.469 44.656 -4.776 1.00 31.80 C ATOM 198 C GLY A 23 27.826 44.131 -6.161 1.00 35.81 C ATOM 199 O GLY A 23 27.637 42.936 -6.478 1.00 37.94 O ATOM 200 H GLY A 23 25.499 43.931 -4.211 1.00 0.00 H ATOM 201 N THR A 24 28.324 45.019 -7.013 1.00 34.22 N ATOM 202 CA THR A 24 28.863 44.566 -8.285 1.00 32.97 C ATOM 203 C THR A 24 30.313 44.192 -8.062 1.00 30.57 C ATOM 204 O THR A 24 30.975 44.761 -7.188 1.00 28.13 O ATOM 205 CB THR A 24 28.660 45.595 -9.414 1.00 35.64 C ATOM 206 OG1 THR A 24 29.603 46.669 -9.291 1.00 41.11 O ATOM 207 CG2 THR A 24 27.222 46.154 -9.361 1.00 33.84 C ATOM 208 HG1 THR A 24 29.458 47.319 -10.023 1.00 0.00 H ATOM 209 H THR A 24 28.329 46.031 -6.772 1.00 0.00 H ATOM 210 N HIS A 25 30.783 43.191 -8.796 1.00 29.58 N ATOM 211 CA HIS A 25 32.160 42.722 -8.645 1.00 29.66 C ATOM 212 C HIS A 25 32.846 42.457 -9.964 1.00 27.96 C ATOM 213 O HIS A 25 32.196 42.208 -10.978 1.00 26.33 O ATOM 214 CB HIS A 25 32.203 41.402 -7.893 1.00 31.50 C ATOM 215 CG HIS A 25 31.942 41.528 -6.445 1.00 32.73 C ATOM 216 ND1 HIS A 25 30.680 41.732 -5.943 1.00 34.71 N ATOM 217 CD2 HIS A 25 32.775 41.464 -5.383 1.00 37.49 C ATOM 218 CE1 HIS A 25 30.748 41.793 -4.624 1.00 37.42 C ATOM 219 NE2 HIS A 25 32.008 41.633 -4.260 1.00 36.81 N ATOM 220 H HIS A 25 30.161 42.732 -9.491 1.00 0.00 H ATOM 221 N ASP A 26 34.171 42.475 -9.907 1.00 26.09 N ATOM 222 CA ASP A 26 34.989 41.889 -10.934 1.00 27.78 C ATOM 223 C ASP A 26 34.900 40.352 -10.843 1.00 28.82 C ATOM 224 O ASP A 26 34.205 39.848 -9.944 1.00 29.66 O ATOM 225 CB ASP A 26 36.432 42.423 -10.820 1.00 27.32 C ATOM 226 CG ASP A 26 37.245 41.760 -9.716 1.00 25.43 C ATOM 227 OD1 ASP A 26 36.809 40.761 -9.109 1.00 24.58 O ATOM 228 OD2 ASP A 26 38.366 42.242 -9.482 1.00 25.40 O ATOM 229 H ASP A 26 34.633 42.928 -9.093 1.00 0.00 H ATOM 230 N LYS A 27 35.593 39.631 -11.753 1.00 27.87 N ATOM 231 CA LYS A 27 35.535 38.151 -11.865 1.00 28.71 C ATOM 232 C LYS A 27 35.909 37.439 -10.577 1.00 29.93 C ATOM 233 O LYS A 27 35.748 36.224 -10.458 1.00 34.06 O ATOM 234 CB LYS A 27 36.429 37.613 -13.023 1.00 27.99 C ATOM 235 CG LYS A 27 37.882 37.285 -12.658 1.00 27.99 C ATOM 236 CD LYS A 27 38.920 37.714 -13.718 1.00 27.22 C ATOM 237 CE LYS A 27 40.311 37.161 -13.351 1.00 29.78 C ATOM 238 NZ LYS A 27 41.469 37.398 -14.275 1.00 28.87 N ATOM 239 HZ1 LYS A 27 41.262 36.976 -15.203 1.00 0.00 H ATOM 240 HZ2 LYS A 27 41.620 38.421 -14.384 1.00 0.00 H ATOM 241 HZ3 LYS A 27 42.324 36.960 -13.877 1.00 0.00 H ATOM 242 H LYS A 27 36.206 40.146 -12.417 1.00 0.00 H ATOM 243 N ARG A 28 36.427 38.178 -9.609 1.00 29.56 N ATOM 244 CA ARG A 28 36.877 37.547 -8.384 1.00 27.40 C ATOM 245 C ARG A 28 35.848 37.649 -7.251 1.00 26.20 C ATOM 246 O ARG A 28 36.181 37.415 -6.078 1.00 25.45 O ATOM 247 CB ARG A 28 38.246 38.079 -7.995 1.00 29.45 C ATOM 248 CG ARG A 28 39.372 37.614 -8.910 1.00 28.89 C ATOM 249 CD ARG A 28 40.598 38.498 -8.754 1.00 28.40 C ATOM 250 NE ARG A 28 41.604 38.247 -9.786 1.00 29.39 N ATOM 251 CZ ARG A 28 42.082 39.162 -10.629 1.00 28.57 C ATOM 252 NH1 ARG A 28 42.996 38.780 -11.520 1.00 30.07 N ATOM 253 NH2 ARG A 28 41.658 40.437 -10.597 1.00 24.70 N ATOM 254 HE ARG A 28 41.975 37.279 -9.868 1.00 0.00 H ATOM 255 HH12 ARG A 28 43.388 39.471 -12.191 1.00 0.00 H ATOM 256 HH11 ARG A 28 43.317 37.791 -11.544 1.00 0.00 H ATOM 257 HH22 ARG A 28 42.047 41.131 -11.266 1.00 0.00 H ATOM 258 HH21 ARG A 28 40.941 40.729 -9.903 1.00 0.00 H ATOM 259 H ARG A 28 36.511 39.208 -9.727 1.00 0.00 H ATOM 260 N PHE A 29 34.599 37.977 -7.611 1.00 24.07 N ATOM 261 CA PHE A 29 33.456 37.828 -6.717 1.00 21.76 C ATOM 262 C PHE A 29 33.577 36.593 -5.836 1.00 20.39 C ATOM 263 O PHE A 29 33.642 35.481 -6.360 1.00 20.61 O ATOM 264 CB PHE A 29 32.193 37.641 -7.524 1.00 22.61 C ATOM 265 CG PHE A 29 31.001 37.371 -6.668 1.00 21.72 C ATOM 266 CD1 PHE A 29 30.731 38.193 -5.569 1.00 21.84 C ATOM 267 CD2 PHE A 29 30.178 36.284 -6.921 1.00 20.94 C ATOM 268 CE1 PHE A 29 29.670 37.931 -4.732 1.00 21.69 C ATOM 269 CE2 PHE A 29 29.095 36.032 -6.100 1.00 20.42 C ATOM 270 CZ PHE A 29 28.844 36.848 -5.007 1.00 21.56 C ATOM 271 H PHE A 29 34.438 38.353 -8.567 1.00 0.00 H ATOM 272 N PRO A 30 33.613 36.776 -4.508 1.00 20.24 N ATOM 273 CA PRO A 30 33.903 35.640 -3.618 1.00 21.39 C ATOM 274 C PRO A 30 32.811 34.570 -3.585 1.00 20.23 C ATOM 275 O PRO A 30 33.080 33.416 -3.270 1.00 17.13 O ATOM 276 CB PRO A 30 34.079 36.303 -2.248 1.00 21.66 C ATOM 277 CG PRO A 30 34.584 37.671 -2.556 1.00 21.83 C ATOM 278 CD PRO A 30 33.836 38.058 -3.816 1.00 23.00 C ATOM 279 N GLY A 31 31.601 34.975 -3.970 1.00 20.59 N ATOM 280 CA GLY A 31 30.451 34.112 -3.898 1.00 20.63 C ATOM 281 C GLY A 31 29.518 34.403 -2.761 1.00 20.53 C ATOM 282 O GLY A 31 29.602 35.456 -2.132 1.00 20.57 O ATOM 283 H GLY A 31 31.484 35.943 -4.333 1.00 0.00 H ATOM 284 N PHE A 32 28.662 33.420 -2.489 1.00 22.68 N ATOM 285 CA PHE A 32 27.626 33.497 -1.474 1.00 24.48 C ATOM 286 C PHE A 32 28.063 32.688 -0.270 1.00 25.65 C ATOM 287 O PHE A 32 27.983 31.454 -0.276 1.00 26.91 O ATOM 288 CB PHE A 32 26.357 32.887 -2.032 1.00 24.31 C ATOM 289 CG PHE A 32 25.881 33.529 -3.286 1.00 24.70 C ATOM 290 CD1 PHE A 32 26.110 32.933 -4.522 1.00 24.66 C ATOM 291 CD2 PHE A 32 25.182 34.728 -3.242 1.00 24.68 C ATOM 292 CE1 PHE A 32 25.665 33.535 -5.695 1.00 24.83 C ATOM 293 CE2 PHE A 32 24.738 35.334 -4.420 1.00 26.27 C ATOM 294 CZ PHE A 32 24.971 34.731 -5.647 1.00 25.04 C ATOM 295 H PHE A 32 28.740 32.541 -3.039 1.00 0.00 H ATOM 296 N LEU A 33 28.549 33.372 0.756 1.00 26.51 N ATOM 297 CA LEU A 33 29.285 32.707 1.826 1.00 27.05 C ATOM 298 C LEU A 33 28.757 33.219 3.122 1.00 29.04 C ATOM 299 O LEU A 33 28.731 32.503 4.099 1.00 31.53 O ATOM 300 CB LEU A 33 30.782 33.061 1.731 1.00 27.16 C ATOM 301 CG LEU A 33 31.336 33.222 0.303 1.00 25.35 C ATOM 302 CD1 LEU A 33 32.396 34.299 0.163 1.00 25.44 C ATOM 303 CD2 LEU A 33 31.835 31.894 -0.202 1.00 26.33 C ATOM 304 H LEU A 33 28.403 34.401 0.799 1.00 0.00 H ATOM 305 N ALA A 34 28.323 34.472 3.127 1.00 31.87 N ATOM 306 CA ALA A 34 27.897 35.159 4.357 1.00 32.84 C ATOM 307 C ALA A 34 26.925 34.373 5.216 1.00 33.51 C ATOM 308 O ALA A 34 27.030 34.391 6.440 1.00 38.09 O ATOM 309 CB ALA A 34 27.329 36.544 4.030 1.00 34.08 C ATOM 310 H ALA A 34 28.282 34.990 2.226 1.00 0.00 H ATOM 311 N GLY A 35 25.989 33.685 4.572 1.00 33.76 N ATOM 312 CA GLY A 35 24.969 32.901 5.264 1.00 35.36 C ATOM 313 C GLY A 35 23.958 32.392 4.248 1.00 38.14 C ATOM 314 O GLY A 35 24.050 32.716 3.051 1.00 35.47 O ATOM 315 H GLY A 35 25.982 33.705 3.532 1.00 0.00 H ATOM 316 N ASN A 36 23.010 31.566 4.691 1.00 42.05 N ATOM 317 CA ASN A 36 22.036 31.035 3.741 1.00 44.99 C ATOM 318 C ASN A 36 20.794 31.909 3.642 1.00 45.37 C ATOM 319 O ASN A 36 19.880 31.802 4.464 1.00 53.52 O ATOM 320 CB ASN A 36 21.688 29.559 3.951 1.00 45.43 C ATOM 321 CG ASN A 36 20.814 29.023 2.818 1.00 47.46 C ATOM 322 OD1 ASN A 36 19.731 28.489 3.051 1.00 45.43 O ATOM 323 ND2 ASN A 36 21.256 29.233 1.579 1.00 43.88 N ATOM 324 HD22 ASN A 36 22.179 29.688 1.426 1.00 0.00 H ATOM 325 HD21 ASN A 36 20.679 28.942 0.765 1.00 0.00 H ATOM 326 H ASN A 36 22.965 31.304 5.696 1.00 0.00 H ATOM 327 N LYS A 37 20.787 32.754 2.611 1.00 40.91 N ATOM 328 CA LYS A 37 19.884 33.894 2.500 1.00 39.50 C ATOM 329 C LYS A 37 19.669 34.186 0.997 1.00 34.81 C ATOM 330 O LYS A 37 20.521 33.887 0.163 1.00 34.74 O ATOM 331 CB LYS A 37 20.490 35.108 3.241 1.00 41.72 C ATOM 332 CG LYS A 37 19.528 35.902 4.124 1.00 44.43 C ATOM 333 CD LYS A 37 20.063 36.125 5.544 1.00 43.41 C ATOM 334 CE LYS A 37 19.799 34.918 6.459 1.00 44.08 C ATOM 335 NZ LYS A 37 19.190 35.270 7.780 1.00 41.36 N ATOM 336 HZ1 LYS A 37 19.828 35.910 8.295 1.00 0.00 H ATOM 337 HZ2 LYS A 37 18.276 35.741 7.624 1.00 0.00 H ATOM 338 HZ3 LYS A 37 19.044 34.403 8.335 1.00 0.00 H ATOM 339 H LYS A 37 21.466 32.591 1.840 1.00 0.00 H ATOM 340 N LEU A 38 18.513 34.722 0.647 1.00 29.86 N ATOM 341 CA LEU A 38 18.294 35.188 -0.708 1.00 28.32 C ATOM 342 C LEU A 38 19.258 36.348 -0.995 1.00 26.69 C ATOM 343 O LEU A 38 19.134 37.429 -0.412 1.00 25.43 O ATOM 344 CB LEU A 38 16.859 35.651 -0.870 1.00 27.58 C ATOM 345 CG LEU A 38 16.250 35.468 -2.233 1.00 27.77 C ATOM 346 CD1 LEU A 38 15.715 34.041 -2.326 1.00 29.95 C ATOM 347 CD2 LEU A 38 15.134 36.475 -2.352 1.00 26.83 C ATOM 348 H LEU A 38 17.753 34.810 1.351 1.00 0.00 H ATOM 349 N ALA A 39 20.215 36.081 -1.881 1.00 24.69 N ATOM 350 CA ALA A 39 21.304 36.978 -2.203 1.00 22.49 C ATOM 351 C ALA A 39 21.535 36.901 -3.708 1.00 21.46 C ATOM 352 O ALA A 39 21.311 35.876 -4.339 1.00 20.18 O ATOM 353 CB ALA A 39 22.566 36.547 -1.469 1.00 22.88 C ATOM 354 H ALA A 39 20.178 35.167 -2.375 1.00 0.00 H ATOM 355 N CYS A 40 21.984 37.998 -4.290 1.00 20.91 N ATOM 356 CA CYS A 40 22.204 38.036 -5.725 1.00 21.98 C ATOM 357 C CYS A 40 23.330 39.032 -5.854 1.00 21.59 C ATOM 358 O CYS A 40 23.600 39.762 -4.881 1.00 24.58 O ATOM 359 CB CYS A 40 20.943 38.540 -6.428 1.00 20.84 C ATOM 360 SG CYS A 40 20.672 40.302 -6.144 1.00 21.61 S ATOM 361 H CYS A 40 22.182 38.842 -3.716 1.00 0.00 H ATOM 362 N ALA A 41 24.004 39.052 -7.000 1.00 19.67 N ATOM 363 CA ALA A 41 25.156 39.950 -7.216 1.00 19.59 C ATOM 364 C ALA A 41 25.369 40.220 -8.711 1.00 20.07 C ATOM 365 O ALA A 41 24.882 39.463 -9.537 1.00 21.28 O ATOM 366 CB ALA A 41 26.410 39.326 -6.631 1.00 18.86 C ATOM 367 H ALA A 41 23.711 38.415 -7.768 1.00 0.00 H ATOM 368 N ILE A 42 26.108 41.275 -9.071 1.00 20.05 N ATOM 369 CA ILE A 42 26.486 41.482 -10.467 1.00 17.96 C ATOM 370 C ILE A 42 27.988 41.313 -10.610 1.00 19.00 C ATOM 371 O ILE A 42 28.746 41.892 -9.822 1.00 19.49 O ATOM 372 CB ILE A 42 26.038 42.846 -10.976 1.00 17.63 C ATOM 373 CG1 ILE A 42 24.566 42.774 -11.436 1.00 15.84 C ATOM 374 CG2 ILE A 42 26.957 43.334 -12.115 1.00 18.71 C ATOM 375 CD1 ILE A 42 23.983 44.104 -11.795 1.00 13.32 C ATOM 376 H ILE A 42 26.417 41.956 -8.349 1.00 0.00 H ATOM 377 N VAL A 43 28.421 40.516 -11.601 1.00 18.59 N ATOM 378 CA VAL A 43 29.803 40.065 -11.654 1.00 17.45 C ATOM 379 C VAL A 43 30.426 40.248 -13.030 1.00 17.93 C ATOM 380 O VAL A 43 29.893 39.812 -14.044 1.00 17.31 O ATOM 381 CB VAL A 43 29.945 38.636 -11.129 1.00 18.60 C ATOM 382 CG1 VAL A 43 31.408 38.152 -11.212 1.00 17.92 C ATOM 383 CG2 VAL A 43 29.436 38.571 -9.685 1.00 17.08 C ATOM 384 H VAL A 43 27.757 40.216 -12.343 1.00 0.00 H ATOM 385 N ASN A 44 31.532 40.973 -13.072 1.00 17.35 N ATOM 386 CA ASN A 44 32.203 41.160 -14.313 1.00 16.16 C ATOM 387 C ASN A 44 32.970 39.879 -14.670 1.00 16.94 C ATOM 388 O ASN A 44 33.325 39.085 -13.786 1.00 15.19 O ATOM 389 CB ASN A 44 33.176 42.293 -14.192 1.00 15.37 C ATOM 390 CG ASN A 44 33.444 42.940 -15.519 1.00 15.23 C ATOM 391 OD1 ASN A 44 34.326 42.532 -16.278 1.00 15.65 O ATOM 392 ND2 ASN A 44 32.693 43.962 -15.800 1.00 14.27 N ATOM 393 HD22 ASN A 44 31.961 44.270 -15.128 1.00 0.00 H ATOM 394 HD21 ASN A 44 32.824 44.472 -16.697 1.00 0.00 H ATOM 395 H ASN A 44 31.909 41.404 -12.203 1.00 0.00 H ATOM 396 N THR A 45 33.230 39.713 -15.963 1.00 17.75 N ATOM 397 CA THR A 45 33.974 38.586 -16.472 1.00 18.92 C ATOM 398 C THR A 45 35.478 38.768 -16.351 1.00 19.90 C ATOM 399 O THR A 45 36.188 37.780 -16.195 1.00 22.19 O ATOM 400 CB THR A 45 33.600 38.321 -17.910 1.00 19.30 C ATOM 401 OG1 THR A 45 33.728 39.550 -18.639 1.00 22.04 O ATOM 402 CG2 THR A 45 32.152 37.857 -17.962 1.00 18.31 C ATOM 403 HG1 THR A 45 34.663 39.870 -18.583 1.00 0.00 H ATOM 404 H THR A 45 32.883 40.425 -16.636 1.00 0.00 H ATOM 405 N ALA A 46 35.953 40.010 -16.371 1.00 21.11 N ATOM 406 CA ALA A 46 37.380 40.330 -16.183 1.00 22.81 C ATOM 407 C ALA A 46 37.704 40.808 -14.754 1.00 24.38 C ATOM 408 O ALA A 46 36.820 40.814 -13.887 1.00 23.20 O ATOM 409 CB ALA A 46 37.820 41.392 -17.191 1.00 23.17 C ATOM 410 H ALA A 46 35.286 40.793 -16.527 1.00 0.00 H ATOM 411 N GLY A 47 38.974 41.167 -14.505 1.00 26.08 N ATOM 412 CA GLY A 47 39.378 41.777 -13.231 1.00 26.60 C ATOM 413 C GLY A 47 39.129 43.284 -13.253 1.00 28.63 C ATOM 414 O GLY A 47 38.909 43.875 -14.340 1.00 27.31 O ATOM 415 H GLY A 47 39.695 41.008 -15.238 1.00 0.00 H ATOM 416 N ARG A 48 39.167 43.923 -12.074 1.00 29.32 N ATOM 417 CA ARG A 48 38.982 45.397 -12.013 1.00 28.93 C ATOM 418 C ARG A 48 40.084 46.071 -12.822 1.00 26.12 C ATOM 419 O ARG A 48 39.858 47.066 -13.485 1.00 23.50 O ATOM 420 CB ARG A 48 38.995 45.897 -10.562 1.00 29.73 C ATOM 421 CG ARG A 48 38.985 47.421 -10.403 1.00 35.10 C ATOM 422 CD ARG A 48 38.753 47.878 -8.956 1.00 37.99 C ATOM 423 NE ARG A 48 37.340 47.813 -8.564 1.00 38.09 N ATOM 424 CZ ARG A 48 36.538 48.871 -8.490 1.00 39.53 C ATOM 425 NH1 ARG A 48 35.268 48.715 -8.136 1.00 36.06 N ATOM 426 NH2 ARG A 48 37.014 50.086 -8.758 1.00 39.61 N ATOM 427 HE ARG A 48 36.941 46.882 -8.330 1.00 0.00 H ATOM 428 HH12 ARG A 48 34.639 49.541 -8.078 1.00 0.00 H ATOM 429 HH11 ARG A 48 34.902 47.766 -7.917 1.00 0.00 H ATOM 430 HH22 ARG A 48 36.388 50.914 -8.700 1.00 0.00 H ATOM 431 HH21 ARG A 48 38.012 50.206 -9.025 1.00 0.00 H ATOM 432 H ARG A 48 39.327 43.385 -11.199 1.00 0.00 H ATOM 433 N GLU A 49 41.277 45.487 -12.738 1.00 24.65 N ATOM 434 CA GLU A 49 42.465 45.990 -13.407 1.00 24.07 C ATOM 435 C GLU A 49 42.355 46.125 -14.938 1.00 23.49 C ATOM 436 O GLU A 49 43.094 46.913 -15.526 1.00 26.73 O ATOM 437 CB GLU A 49 43.679 45.144 -13.032 1.00 23.72 C ATOM 438 CG GLU A 49 43.811 43.822 -13.782 1.00 23.51 C ATOM 439 CD GLU A 49 42.861 42.707 -13.294 1.00 23.75 C ATOM 440 OE1 GLU A 49 42.534 41.838 -14.160 1.00 22.89 O ATOM 441 OE2 GLU A 49 42.478 42.672 -12.073 1.00 20.91 O ATOM 442 H GLU A 49 41.364 44.625 -12.163 1.00 0.00 H ATOM 443 N THR A 50 41.434 45.396 -15.576 1.00 21.92 N ATOM 444 CA THR A 50 41.211 45.503 -17.048 1.00 19.06 C ATOM 445 C THR A 50 40.321 46.702 -17.397 1.00 19.00 C ATOM 446 O THR A 50 40.144 47.053 -18.595 1.00 16.67 O ATOM 447 CB THR A 50 40.535 44.235 -17.636 1.00 18.92 C ATOM 448 OG1 THR A 50 39.189 44.110 -17.133 1.00 18.83 O ATOM 449 CG2 THR A 50 41.395 42.921 -17.364 1.00 18.23 C ATOM 450 HG1 THR A 50 39.212 44.038 -16.146 1.00 0.00 H ATOM 451 H THR A 50 40.852 44.731 -15.027 1.00 0.00 H ATOM 452 N GLY A 51 39.756 47.323 -16.355 1.00 17.03 N ATOM 453 CA GLY A 51 38.796 48.404 -16.527 1.00 18.59 C ATOM 454 C GLY A 51 37.390 47.978 -16.956 1.00 19.35 C ATOM 455 O GLY A 51 36.504 48.825 -17.028 1.00 18.45 O ATOM 456 H GLY A 51 40.011 47.024 -15.392 1.00 0.00 H ATOM 457 N GLY A 52 37.183 46.680 -17.234 1.00 20.09 N ATOM 458 CA GLY A 52 35.821 46.115 -17.371 1.00 20.45 C ATOM 459 C GLY A 52 35.471 45.606 -18.759 1.00 20.50 C ATOM 460 O GLY A 52 35.765 46.247 -19.733 1.00 19.35 O ATOM 461 H GLY A 52 38.004 46.053 -17.357 1.00 0.00 H ATOM 462 N VAL A 53 34.878 44.416 -18.843 1.00 21.27 N ATOM 463 CA VAL A 53 34.504 43.832 -20.128 1.00 20.47 C ATOM 464 C VAL A 53 33.014 43.472 -20.269 1.00 20.14 C ATOM 465 O VAL A 53 32.335 44.050 -21.114 1.00 20.58 O ATOM 466 CB VAL A 53 35.407 42.646 -20.500 1.00 21.47 C ATOM 467 CG1 VAL A 53 35.059 42.134 -21.887 1.00 22.08 C ATOM 468 CG2 VAL A 53 36.860 43.090 -20.474 1.00 21.77 C ATOM 469 H VAL A 53 34.676 43.889 -17.970 1.00 0.00 H ATOM 470 N HIS A 54 32.521 42.536 -19.452 1.00 18.65 N ATOM 471 CA HIS A 54 31.140 41.984 -19.565 1.00 18.22 C ATOM 472 C HIS A 54 30.449 41.789 -18.218 1.00 17.98 C ATOM 473 O HIS A 54 31.018 41.241 -17.271 1.00 17.81 O ATOM 474 CB HIS A 54 31.170 40.619 -20.283 1.00 18.43 C ATOM 475 CG HIS A 54 29.832 40.135 -20.769 1.00 17.79 C ATOM 476 ND1 HIS A 54 28.995 40.901 -21.554 1.00 17.74 N ATOM 477 CD2 HIS A 54 29.210 38.941 -20.614 1.00 17.17 C ATOM 478 CE1 HIS A 54 27.897 40.214 -21.817 1.00 17.84 C ATOM 479 NE2 HIS A 54 28.005 39.022 -21.261 1.00 17.57 N ATOM 480 H HIS A 54 33.135 42.172 -18.695 1.00 0.00 H ATOM 481 N TRP A 55 29.200 42.196 -18.161 1.00 18.75 N ATOM 482 CA TRP A 55 28.393 42.021 -16.969 1.00 19.47 C ATOM 483 C TRP A 55 27.607 40.701 -16.993 1.00 20.88 C ATOM 484 O TRP A 55 27.017 40.369 -18.030 1.00 22.41 O ATOM 485 CB TRP A 55 27.469 43.217 -16.806 1.00 19.23 C ATOM 486 CG TRP A 55 28.188 44.571 -16.391 1.00 19.18 C ATOM 487 CD1 TRP A 55 28.059 45.781 -17.000 1.00 19.62 C ATOM 488 CD2 TRP A 55 29.055 44.792 -15.264 1.00 19.28 C ATOM 489 NE1 TRP A 55 28.796 46.747 -16.341 1.00 20.39 N ATOM 490 CE2 TRP A 55 29.415 46.165 -15.270 1.00 19.74 C ATOM 491 CE3 TRP A 55 29.572 43.962 -14.258 1.00 20.17 C ATOM 492 CZ2 TRP A 55 30.249 46.727 -14.308 1.00 19.40 C ATOM 493 CZ3 TRP A 55 30.400 44.518 -13.301 1.00 20.63 C ATOM 494 CH2 TRP A 55 30.739 45.898 -13.345 1.00 21.40 C ATOM 495 HE1 TRP A 55 28.868 47.748 -16.614 1.00 0.00 H ATOM 496 H TRP A 55 28.779 42.656 -18.994 1.00 0.00 H ATOM 497 N LEU A 56 27.698 39.944 -15.883 1.00 20.44 N ATOM 498 CA LEU A 56 26.842 38.794 -15.513 1.00 21.94 C ATOM 499 C LEU A 56 26.058 39.027 -14.184 1.00 22.53 C ATOM 500 O LEU A 56 26.455 39.826 -13.310 1.00 20.74 O ATOM 501 CB LEU A 56 27.676 37.514 -15.328 1.00 20.92 C ATOM 502 CG LEU A 56 28.655 37.156 -16.451 1.00 22.51 C ATOM 503 CD1 LEU A 56 29.400 35.905 -16.068 1.00 21.23 C ATOM 504 CD2 LEU A 56 28.020 36.991 -17.836 1.00 22.03 C ATOM 505 H LEU A 56 28.452 40.195 -15.212 1.00 0.00 H ATOM 506 N ALA A 57 24.953 38.314 -14.034 1.00 21.02 N ATOM 507 CA ALA A 57 24.237 38.377 -12.800 1.00 20.89 C ATOM 508 C ALA A 57 24.286 37.026 -12.154 1.00 20.06 C ATOM 509 O ALA A 57 24.124 35.997 -12.804 1.00 19.72 O ATOM 510 CB ALA A 57 22.778 38.776 -13.043 1.00 24.61 C ATOM 511 H ALA A 57 24.609 37.712 -14.809 1.00 0.00 H ATOM 512 N PHE A 58 24.489 37.032 -10.847 1.00 20.00 N ATOM 513 CA PHE A 58 24.378 35.824 -10.068 1.00 18.58 C ATOM 514 C PHE A 58 23.309 35.988 -8.993 1.00 19.08 C ATOM 515 O PHE A 58 23.082 37.095 -8.487 1.00 18.19 O ATOM 516 CB PHE A 58 25.712 35.446 -9.460 1.00 18.45 C ATOM 517 CG PHE A 58 26.743 34.945 -10.458 1.00 17.78 C ATOM 518 CD1 PHE A 58 27.523 35.837 -11.184 1.00 17.91 C ATOM 519 CD2 PHE A 58 26.961 33.597 -10.622 1.00 17.91 C ATOM 520 CE1 PHE A 58 28.507 35.394 -12.062 1.00 19.05 C ATOM 521 CE2 PHE A 58 27.951 33.129 -11.496 1.00 19.65 C ATOM 522 CZ PHE A 58 28.729 34.026 -12.223 1.00 19.26 C ATOM 523 H PHE A 58 24.733 37.925 -10.373 1.00 0.00 H ATOM 524 N GLY A 59 22.630 34.868 -8.715 1.00 18.10 N ATOM 525 CA GLY A 59 21.677 34.739 -7.644 1.00 19.52 C ATOM 526 C GLY A 59 21.733 33.380 -6.945 1.00 21.11 C ATOM 527 O GLY A 59 21.936 32.326 -7.572 1.00 20.08 O ATOM 528 H GLY A 59 22.803 34.035 -9.313 1.00 0.00 H ATOM 529 N TRP A 60 21.532 33.414 -5.635 1.00 22.26 N ATOM 530 CA TRP A 60 21.423 32.205 -4.849 1.00 26.68 C ATOM 531 C TRP A 60 20.001 32.075 -4.285 1.00 26.33 C ATOM 532 O TRP A 60 19.460 33.014 -3.715 1.00 26.78 O ATOM 533 CB TRP A 60 22.479 32.210 -3.738 1.00 27.84 C ATOM 534 CG TRP A 60 22.356 31.050 -2.827 1.00 30.40 C ATOM 535 CD1 TRP A 60 21.856 31.070 -1.570 1.00 29.80 C ATOM 536 CD2 TRP A 60 22.712 29.680 -3.105 1.00 30.68 C ATOM 537 NE1 TRP A 60 21.898 29.819 -1.034 1.00 32.38 N ATOM 538 CE2 TRP A 60 22.420 28.940 -1.949 1.00 31.26 C ATOM 539 CE3 TRP A 60 23.267 29.019 -4.207 1.00 31.55 C ATOM 540 CZ2 TRP A 60 22.656 27.547 -1.853 1.00 33.04 C ATOM 541 CZ3 TRP A 60 23.503 27.624 -4.119 1.00 33.78 C ATOM 542 CH2 TRP A 60 23.204 26.911 -2.941 1.00 33.72 C ATOM 543 HE1 TRP A 60 21.582 29.568 -0.076 1.00 0.00 H ATOM 544 H TRP A 60 21.450 34.335 -5.160 1.00 0.00 H ATOM 545 N ASN A 61 19.402 30.910 -4.499 1.00 29.19 N ATOM 546 CA ASN A 61 18.057 30.566 -4.000 1.00 29.03 C ATOM 547 C ASN A 61 18.253 29.556 -2.897 1.00 29.92 C ATOM 548 O ASN A 61 18.606 28.413 -3.195 1.00 30.25 O ATOM 549 CB ASN A 61 17.214 29.919 -5.120 1.00 26.67 C ATOM 550 CG ASN A 61 15.718 30.034 -4.881 1.00 26.37 C ATOM 551 OD1 ASN A 61 15.278 30.516 -3.850 1.00 25.61 O ATOM 552 ND2 ASN A 61 14.931 29.596 -5.853 1.00 26.36 N ATOM 553 HD22 ASN A 61 15.347 29.192 -6.716 1.00 0.00 H ATOM 554 HD21 ASN A 61 13.898 29.657 -5.753 1.00 0.00 H ATOM 555 H ASN A 61 19.913 30.194 -5.054 1.00 0.00 H ATOM 556 N PRO A 62 18.065 29.973 -1.624 1.00 31.38 N ATOM 557 CA PRO A 62 18.171 29.085 -0.454 1.00 32.65 C ATOM 558 C PRO A 62 17.047 28.037 -0.385 1.00 35.29 C ATOM 559 O PRO A 62 17.308 26.895 0.027 1.00 36.00 O ATOM 560 CB PRO A 62 18.062 30.058 0.726 1.00 32.70 C ATOM 561 CG PRO A 62 17.226 31.180 0.213 1.00 32.05 C ATOM 562 CD PRO A 62 17.668 31.336 -1.228 1.00 31.69 C ATOM 563 N ARG A 63 15.820 28.420 -0.793 1.00 38.14 N ATOM 564 CA ARG A 63 14.670 27.508 -0.812 1.00 36.88 C ATOM 565 C ARG A 63 14.987 26.321 -1.710 1.00 37.13 C ATOM 566 O ARG A 63 14.574 25.231 -1.411 1.00 46.75 O ATOM 567 CB ARG A 63 13.365 28.194 -1.243 1.00 32.82 C ATOM 568 H ARG A 63 15.683 29.402 -1.107 1.00 0.00 H ATOM 569 N SER A 64 15.756 26.501 -2.774 1.00 35.88 N ATOM 570 CA SER A 64 15.888 25.410 -3.752 1.00 34.00 C ATOM 571 C SER A 64 17.286 24.894 -4.042 1.00 32.46 C ATOM 572 O SER A 64 17.443 24.095 -4.951 1.00 34.00 O ATOM 573 CB SER A 64 15.193 25.773 -5.062 1.00 34.39 C ATOM 574 OG SER A 64 15.694 26.994 -5.570 1.00 35.24 O ATOM 575 HG SER A 64 15.232 27.212 -6.418 1.00 0.00 H ATOM 576 H SER A 64 16.259 27.400 -2.916 1.00 0.00 H ATOM 577 N ARG A 65 18.283 25.329 -3.265 1.00 32.64 N ATOM 578 CA ARG A 65 19.706 24.887 -3.393 1.00 33.35 C ATOM 579 C ARG A 65 20.297 25.245 -4.741 1.00 29.28 C ATOM 580 O ARG A 65 21.108 24.509 -5.265 1.00 29.18 O ATOM 581 CB ARG A 65 19.893 23.363 -3.155 1.00 36.64 C ATOM 582 CG ARG A 65 20.145 22.892 -1.701 1.00 39.42 C ATOM 583 CD ARG A 65 18.887 22.356 -0.975 1.00 38.85 C ATOM 584 NE ARG A 65 17.974 21.599 -1.857 1.00 38.53 N ATOM 585 CZ ARG A 65 16.660 21.827 -1.977 1.00 36.96 C ATOM 586 NH1 ARG A 65 15.948 21.098 -2.832 1.00 30.94 N ATOM 587 NH2 ARG A 65 16.052 22.774 -1.236 1.00 32.74 N ATOM 588 HE ARG A 65 18.383 20.831 -2.427 1.00 0.00 H ATOM 589 HH12 ARG A 65 14.927 21.266 -2.934 1.00 0.00 H ATOM 590 HH11 ARG A 65 16.413 20.360 -3.399 1.00 0.00 H ATOM 591 HH22 ARG A 65 15.031 22.940 -1.340 1.00 0.00 H ATOM 592 HH21 ARG A 65 16.604 23.339 -0.560 1.00 0.00 H ATOM 593 H ARG A 65 18.054 26.020 -2.523 1.00 0.00 H ATOM 594 N THR A 66 19.878 26.386 -5.285 1.00 27.40 N ATOM 595 CA THR A 66 20.145 26.758 -6.677 1.00 23.85 C ATOM 596 C THR A 66 20.798 28.122 -6.856 1.00 22.25 C ATOM 597 O THR A 66 20.301 29.141 -6.350 1.00 20.65 O ATOM 598 CB THR A 66 18.860 26.732 -7.540 1.00 23.11 C ATOM 599 OG1 THR A 66 18.386 25.386 -7.624 1.00 24.80 O ATOM 600 CG2 THR A 66 19.139 27.230 -8.963 1.00 21.94 C ATOM 601 HG1 THR A 66 18.186 25.050 -6.714 1.00 0.00 H ATOM 602 H THR A 66 19.334 27.046 -4.693 1.00 0.00 H ATOM 603 N CYS A 67 21.900 28.112 -7.609 1.00 20.01 N ATOM 604 CA CYS A 67 22.571 29.304 -8.032 1.00 18.17 C ATOM 605 C CYS A 67 22.330 29.542 -9.506 1.00 19.55 C ATOM 606 O CYS A 67 22.546 28.658 -10.366 1.00 19.37 O ATOM 607 CB CYS A 67 24.040 29.166 -7.803 1.00 18.24 C ATOM 608 SG CYS A 67 24.950 30.549 -8.473 1.00 16.58 S ATOM 609 H CYS A 67 22.290 27.194 -7.903 1.00 0.00 H ATOM 610 N TYR A 68 21.855 30.744 -9.808 1.00 19.30 N ATOM 611 CA TYR A 68 21.601 31.090 -11.199 1.00 19.04 C ATOM 612 C TYR A 68 22.705 31.975 -11.739 1.00 18.06 C ATOM 613 O TYR A 68 23.037 33.013 -11.137 1.00 19.39 O ATOM 614 CB TYR A 68 20.277 31.836 -11.351 1.00 19.85 C ATOM 615 CG TYR A 68 19.012 31.050 -11.062 1.00 21.05 C ATOM 616 CD1 TYR A 68 18.505 30.930 -9.752 1.00 21.09 C ATOM 617 CD2 TYR A 68 18.274 30.464 -12.115 1.00 22.17 C ATOM 618 CE1 TYR A 68 17.330 30.234 -9.511 1.00 21.48 C ATOM 619 CE2 TYR A 68 17.100 29.763 -11.870 1.00 21.80 C ATOM 620 CZ TYR A 68 16.629 29.667 -10.582 1.00 21.80 C ATOM 621 OH TYR A 68 15.446 29.015 -10.366 1.00 23.52 O ATOM 622 HH TYR A 68 15.236 29.026 -9.399 1.00 0.00 H ATOM 623 H TYR A 68 21.665 31.435 -9.055 1.00 0.00 H ATOM 624 N MET A 69 23.281 31.552 -12.861 1.00 16.27 N ATOM 625 CA MET A 69 24.206 32.378 -13.583 1.00 15.62 C ATOM 626 C MET A 69 23.515 32.947 -14.824 1.00 15.53 C ATOM 627 O MET A 69 23.033 32.202 -15.691 1.00 15.68 O ATOM 628 CB MET A 69 25.448 31.596 -13.974 1.00 15.50 C ATOM 629 CG MET A 69 26.645 32.499 -14.168 1.00 15.38 C ATOM 630 SD MET A 69 27.755 31.854 -15.416 1.00 16.17 S ATOM 631 CE MET A 69 26.717 32.114 -16.857 1.00 15.13 C ATOM 632 H MET A 69 23.056 30.603 -13.222 1.00 0.00 H ATOM 633 N PHE A 70 23.468 34.274 -14.901 1.00 14.68 N ATOM 634 CA PHE A 70 22.777 34.913 -15.981 1.00 13.96 C ATOM 635 C PHE A 70 23.715 35.705 -16.859 1.00 13.50 C ATOM 636 O PHE A 70 24.267 36.720 -16.451 1.00 13.37 O ATOM 637 CB PHE A 70 21.590 35.765 -15.494 1.00 13.40 C ATOM 638 CG PHE A 70 20.959 36.560 -16.583 1.00 13.48 C ATOM 639 CD1 PHE A 70 20.096 35.951 -17.493 1.00 13.86 C ATOM 640 CD2 PHE A 70 21.280 37.904 -16.761 1.00 13.71 C ATOM 641 CE1 PHE A 70 19.533 36.665 -18.543 1.00 13.73 C ATOM 642 CE2 PHE A 70 20.693 38.638 -17.791 1.00 14.13 C ATOM 643 CZ PHE A 70 19.832 38.015 -18.694 1.00 14.05 C ATOM 644 H PHE A 70 23.936 34.851 -14.173 1.00 0.00 H ATOM 645 N ASP A 71 23.849 35.235 -18.093 1.00 13.79 N ATOM 646 CA ASP A 71 24.554 35.959 -19.125 1.00 14.14 C ATOM 647 C ASP A 71 23.494 36.319 -20.107 1.00 13.89 C ATOM 648 O ASP A 71 22.784 35.442 -20.585 1.00 14.49 O ATOM 649 CB ASP A 71 25.601 35.048 -19.769 1.00 15.11 C ATOM 650 CG ASP A 71 26.228 35.657 -21.037 1.00 15.77 C ATOM 651 OD1 ASP A 71 26.151 36.906 -21.260 1.00 14.91 O ATOM 652 OD2 ASP A 71 26.774 34.843 -21.810 1.00 16.04 O ATOM 653 H ASP A 71 23.431 34.311 -18.325 1.00 0.00 H ATOM 654 N PRO A 72 23.319 37.622 -20.376 1.00 14.31 N ATOM 655 CA PRO A 72 22.312 38.050 -21.349 1.00 14.57 C ATOM 656 C PRO A 72 22.534 37.416 -22.723 1.00 15.70 C ATOM 657 O PRO A 72 21.601 37.353 -23.511 1.00 16.84 O ATOM 658 CB PRO A 72 22.516 39.569 -21.437 1.00 14.67 C ATOM 659 CG PRO A 72 23.765 39.865 -20.657 1.00 14.68 C ATOM 660 CD PRO A 72 23.867 38.769 -19.639 1.00 14.75 C ATOM 661 N PHE A 73 23.757 36.980 -23.012 1.00 15.82 N ATOM 662 CA PHE A 73 24.064 36.318 -24.279 1.00 16.59 C ATOM 663 C PHE A 73 23.715 34.830 -24.229 1.00 16.98 C ATOM 664 O PHE A 73 23.605 34.171 -25.246 1.00 17.31 O ATOM 665 CB PHE A 73 25.562 36.488 -24.635 1.00 15.80 C ATOM 666 CG PHE A 73 25.919 37.847 -25.167 1.00 15.72 C ATOM 667 CD1 PHE A 73 27.083 38.482 -24.762 1.00 15.36 C ATOM 668 CD2 PHE A 73 25.096 38.499 -26.096 1.00 15.76 C ATOM 669 CE1 PHE A 73 27.448 39.727 -25.276 1.00 15.82 C ATOM 670 CE2 PHE A 73 25.448 39.762 -26.585 1.00 16.33 C ATOM 671 CZ PHE A 73 26.631 40.376 -26.176 1.00 15.42 C ATOM 672 H PHE A 73 24.518 37.114 -22.316 1.00 0.00 H ATOM 673 N GLY A 74 23.603 34.310 -23.016 1.00 18.54 N ATOM 674 CA GLY A 74 23.412 32.885 -22.767 1.00 18.88 C ATOM 675 C GLY A 74 24.515 31.992 -23.290 1.00 17.07 C ATOM 676 O GLY A 74 24.234 30.936 -23.820 1.00 18.32 O ATOM 677 H GLY A 74 23.654 34.951 -22.198 1.00 0.00 H ATOM 678 N PHE A 75 25.757 32.410 -23.151 1.00 16.89 N ATOM 679 CA PHE A 75 26.886 31.582 -23.581 1.00 16.87 C ATOM 680 C PHE A 75 27.023 30.317 -22.727 1.00 17.49 C ATOM 681 O PHE A 75 26.463 30.235 -21.641 1.00 18.91 O ATOM 682 CB PHE A 75 28.182 32.411 -23.624 1.00 15.09 C ATOM 683 CG PHE A 75 28.337 33.243 -24.884 1.00 14.49 C ATOM 684 CD1 PHE A 75 28.513 34.640 -24.810 1.00 14.10 C ATOM 685 CD2 PHE A 75 28.315 32.638 -26.154 1.00 13.44 C ATOM 686 CE1 PHE A 75 28.659 35.410 -25.960 1.00 13.20 C ATOM 687 CE2 PHE A 75 28.472 33.401 -27.304 1.00 13.36 C ATOM 688 CZ PHE A 75 28.639 34.786 -27.212 1.00 13.42 C ATOM 689 H PHE A 75 25.938 33.343 -22.729 1.00 0.00 H ATOM 690 N SER A 76 27.749 29.326 -23.228 1.00 19.46 N ATOM 691 CA SER A 76 27.994 28.084 -22.482 1.00 21.87 C ATOM 692 C SER A 76 29.141 28.336 -21.537 1.00 23.49 C ATOM 693 O SER A 76 29.844 29.339 -21.686 1.00 22.85 O ATOM 694 CB SER A 76 28.369 26.944 -23.438 1.00 22.63 C ATOM 695 OG SER A 76 29.690 27.125 -23.943 1.00 24.17 O ATOM 696 HG SER A 76 29.912 26.381 -24.557 1.00 0.00 H ATOM 697 H SER A 76 28.158 29.432 -24.179 1.00 0.00 H ATOM 698 N ASP A 77 29.366 27.437 -20.578 1.00 24.89 N ATOM 699 CA ASP A 77 30.600 27.562 -19.768 1.00 26.02 C ATOM 700 C ASP A 77 31.826 27.721 -20.666 1.00 24.72 C ATOM 701 O ASP A 77 32.548 28.704 -20.561 1.00 27.25 O ATOM 702 CB ASP A 77 30.767 26.376 -18.795 1.00 25.36 C ATOM 703 CG ASP A 77 29.928 26.541 -17.576 1.00 25.22 C ATOM 704 OD1 ASP A 77 30.104 25.755 -16.609 1.00 26.75 O ATOM 705 OD2 ASP A 77 29.093 27.486 -17.603 1.00 23.93 O ATOM 706 H ASP A 77 28.691 26.666 -20.403 1.00 0.00 H ATOM 707 N ARG A 78 32.002 26.773 -21.585 1.00 25.30 N ATOM 708 CA ARG A 78 33.115 26.751 -22.514 1.00 25.41 C ATOM 709 C ARG A 78 33.213 28.090 -23.260 1.00 25.22 C ATOM 710 O ARG A 78 34.280 28.647 -23.417 1.00 27.56 O ATOM 711 CB ARG A 78 32.930 25.595 -23.503 1.00 27.31 C ATOM 712 H ARG A 78 31.302 26.006 -21.639 1.00 0.00 H ATOM 713 N ARG A 79 32.081 28.622 -23.687 1.00 23.10 N ATOM 714 CA ARG A 79 32.104 29.826 -24.470 1.00 22.07 C ATOM 715 C ARG A 79 32.381 31.022 -23.565 1.00 24.06 C ATOM 716 O ARG A 79 33.039 31.968 -23.973 1.00 24.16 O ATOM 717 CB ARG A 79 30.844 29.937 -25.349 1.00 19.99 C ATOM 718 CG ARG A 79 30.836 28.986 -26.564 1.00 17.40 C ATOM 719 CD ARG A 79 31.560 29.606 -27.766 1.00 16.56 C ATOM 720 NE ARG A 79 30.905 30.844 -28.198 1.00 15.96 N ATOM 721 CZ ARG A 79 31.079 31.484 -29.364 1.00 16.75 C ATOM 722 NH1 ARG A 79 31.949 31.060 -30.281 1.00 18.00 N ATOM 723 NH2 ARG A 79 30.394 32.596 -29.614 1.00 15.60 N ATOM 724 HE ARG A 79 30.234 31.272 -27.529 1.00 0.00 H ATOM 725 HH12 ARG A 79 32.058 31.581 -31.174 1.00 0.00 H ATOM 726 HH11 ARG A 79 32.519 30.208 -30.103 1.00 0.00 H ATOM 727 HH22 ARG A 79 30.525 33.096 -30.516 1.00 0.00 H ATOM 728 HH21 ARG A 79 29.727 32.966 -28.907 1.00 0.00 H ATOM 729 H ARG A 79 31.174 28.169 -23.456 1.00 0.00 H ATOM 730 N LEU A 80 31.986 30.923 -22.301 1.00 25.11 N ATOM 731 CA LEU A 80 32.436 31.874 -21.287 1.00 26.66 C ATOM 732 C LEU A 80 33.947 31.922 -21.029 1.00 27.59 C ATOM 733 O LEU A 80 34.511 33.009 -20.927 1.00 27.24 O ATOM 734 CB LEU A 80 31.654 31.701 -19.976 1.00 25.09 C ATOM 735 CG LEU A 80 30.303 32.355 -20.241 1.00 24.80 C ATOM 736 CD1 LEU A 80 29.412 32.303 -19.021 1.00 25.46 C ATOM 737 CD2 LEU A 80 30.476 33.792 -20.731 1.00 23.63 C ATOM 738 H LEU A 80 31.343 30.153 -22.027 1.00 0.00 H ATOM 739 N LYS A 81 34.584 30.760 -20.911 1.00 27.62 N ATOM 740 CA LYS A 81 36.049 30.668 -20.815 1.00 27.51 C ATOM 741 C LYS A 81 36.587 31.317 -22.087 1.00 25.30 C ATOM 742 O LYS A 81 37.322 32.320 -22.059 1.00 22.69 O ATOM 743 CB LYS A 81 36.498 29.165 -20.659 1.00 30.34 C ATOM 744 CG LYS A 81 38.014 28.776 -20.642 1.00 33.39 C ATOM 745 CD LYS A 81 38.618 28.502 -19.240 1.00 33.97 C ATOM 746 CE LYS A 81 39.205 27.089 -19.054 1.00 32.65 C ATOM 747 NZ LYS A 81 40.670 26.803 -19.237 1.00 29.63 N ATOM 748 HZ1 LYS A 81 40.950 27.045 -20.209 1.00 0.00 H ATOM 749 HZ2 LYS A 81 41.220 27.374 -18.564 1.00 0.00 H ATOM 750 HZ3 LYS A 81 40.849 25.793 -19.065 1.00 0.00 H ATOM 751 H LYS A 81 34.025 29.883 -20.886 1.00 0.00 H ATOM 752 N GLN A 82 36.149 30.761 -23.205 1.00 24.31 N ATOM 753 CA GLN A 82 36.746 31.027 -24.506 1.00 23.74 C ATOM 754 C GLN A 82 36.795 32.519 -24.875 1.00 22.52 C ATOM 755 O GLN A 82 37.839 33.046 -25.258 1.00 23.70 O ATOM 756 CB GLN A 82 35.991 30.220 -25.555 1.00 23.10 C ATOM 757 CG GLN A 82 36.843 29.912 -26.740 1.00 24.59 C ATOM 758 CD GLN A 82 36.155 30.118 -28.091 1.00 25.47 C ATOM 759 OE1 GLN A 82 36.837 30.244 -29.086 1.00 23.25 O ATOM 760 NE2 GLN A 82 34.809 30.140 -28.129 1.00 28.11 N ATOM 761 HE22 GLN A 82 34.262 30.028 -27.251 1.00 0.00 H ATOM 762 HE21 GLN A 82 34.316 30.269 -29.036 1.00 0.00 H ATOM 763 H GLN A 82 35.343 30.106 -23.152 1.00 0.00 H ATOM 764 N ILE A 83 35.675 33.211 -24.715 1.00 21.62 N ATOM 765 CA ILE A 83 35.527 34.553 -25.294 1.00 20.39 C ATOM 766 C ILE A 83 35.929 35.547 -24.281 1.00 20.12 C ATOM 767 O ILE A 83 36.441 36.576 -24.637 1.00 17.86 O ATOM 768 CB ILE A 83 34.068 34.910 -25.637 1.00 19.13 C ATOM 769 CG1 ILE A 83 33.545 34.058 -26.801 1.00 19.06 C ATOM 770 CG2 ILE A 83 33.953 36.383 -25.992 1.00 18.56 C ATOM 771 CD1 ILE A 83 32.040 33.937 -26.877 1.00 18.45 C ATOM 772 H ILE A 83 34.890 32.798 -24.172 1.00 0.00 H ATOM 773 N TYR A 84 35.635 35.249 -23.013 1.00 20.88 N ATOM 774 CA TYR A 84 35.871 36.223 -21.928 1.00 22.38 C ATOM 775 C TYR A 84 36.935 35.856 -20.912 1.00 24.05 C ATOM 776 O TYR A 84 37.177 36.651 -19.995 1.00 26.68 O ATOM 777 CB TYR A 84 34.568 36.597 -21.166 1.00 20.90 C ATOM 778 CG TYR A 84 33.489 37.217 -22.015 1.00 19.45 C ATOM 779 CD1 TYR A 84 32.365 36.474 -22.380 1.00 19.00 C ATOM 780 CD2 TYR A 84 33.562 38.550 -22.432 1.00 19.31 C ATOM 781 CE1 TYR A 84 31.346 37.016 -23.145 1.00 18.85 C ATOM 782 CE2 TYR A 84 32.546 39.102 -23.242 1.00 20.53 C ATOM 783 CZ TYR A 84 31.438 38.320 -23.590 1.00 19.62 C ATOM 784 OH TYR A 84 30.415 38.816 -24.370 1.00 19.47 O ATOM 785 HH TYR A 84 29.731 38.112 -24.502 1.00 0.00 H ATOM 786 H TYR A 84 35.234 34.317 -22.786 1.00 0.00 H ATOM 787 N SER A 85 37.560 34.678 -21.059 1.00 25.10 N ATOM 788 CA SER A 85 38.526 34.167 -20.075 1.00 26.46 C ATOM 789 C SER A 85 37.898 33.984 -18.680 1.00 26.08 C ATOM 790 O SER A 85 38.601 33.888 -17.673 1.00 26.28 O ATOM 791 CB SER A 85 39.738 35.091 -19.990 1.00 26.77 C ATOM 792 OG SER A 85 40.452 35.092 -21.218 1.00 32.42 O ATOM 793 HG SER A 85 41.233 35.696 -21.144 1.00 0.00 H ATOM 794 H SER A 85 37.353 34.104 -21.901 1.00 0.00 H ATOM 795 N PHE A 86 36.572 33.965 -18.631 1.00 24.99 N ATOM 796 CA PHE A 86 35.857 33.908 -17.369 1.00 23.93 C ATOM 797 C PHE A 86 35.546 32.465 -16.929 1.00 24.58 C ATOM 798 O PHE A 86 35.005 31.658 -17.711 1.00 24.86 O ATOM 799 CB PHE A 86 34.604 34.791 -17.421 1.00 22.10 C ATOM 800 CG PHE A 86 33.784 34.762 -16.140 1.00 24.80 C ATOM 801 CD1 PHE A 86 34.317 35.234 -14.934 1.00 22.95 C ATOM 802 CD2 PHE A 86 32.471 34.258 -16.134 1.00 23.45 C ATOM 803 CE1 PHE A 86 33.565 35.201 -13.770 1.00 23.85 C ATOM 804 CE2 PHE A 86 31.725 34.223 -14.964 1.00 23.16 C ATOM 805 CZ PHE A 86 32.264 34.712 -13.782 1.00 23.61 C ATOM 806 H PHE A 86 36.031 33.992 -19.519 1.00 0.00 H ATOM 807 N GLU A 87 35.966 32.128 -15.708 1.00 24.99 N ATOM 808 CA GLU A 87 35.496 30.923 -15.022 1.00 25.97 C ATOM 809 C GLU A 87 34.875 31.338 -13.677 1.00 24.10 C ATOM 810 O GLU A 87 35.062 32.462 -13.219 1.00 26.03 O ATOM 811 CB GLU A 87 36.597 29.847 -14.880 1.00 28.38 C ATOM 812 CG GLU A 87 37.603 30.064 -13.766 1.00 31.71 C ATOM 813 CD GLU A 87 37.092 29.671 -12.378 1.00 36.43 C ATOM 814 OE1 GLU A 87 37.163 30.507 -11.433 1.00 34.01 O ATOM 815 OE2 GLU A 87 36.608 28.520 -12.222 1.00 39.75 O ATOM 816 H GLU A 87 36.652 32.744 -15.226 1.00 0.00 H ATOM 817 N TYR A 88 34.107 30.453 -13.060 1.00 22.03 N ATOM 818 CA TYR A 88 33.371 30.801 -11.844 1.00 20.08 C ATOM 819 C TYR A 88 33.115 29.547 -11.008 1.00 19.09 C ATOM 820 O TYR A 88 32.257 29.553 -10.158 1.00 19.03 O ATOM 821 CB TYR A 88 32.061 31.513 -12.222 1.00 20.44 C ATOM 822 CG TYR A 88 31.120 30.624 -13.051 1.00 22.01 C ATOM 823 CD1 TYR A 88 29.964 30.091 -12.481 1.00 22.10 C ATOM 824 CD2 TYR A 88 31.429 30.259 -14.361 1.00 22.03 C ATOM 825 CE1 TYR A 88 29.113 29.274 -13.198 1.00 24.32 C ATOM 826 CE2 TYR A 88 30.589 29.431 -15.101 1.00 24.15 C ATOM 827 CZ TYR A 88 29.424 28.941 -14.524 1.00 25.32 C ATOM 828 OH TYR A 88 28.558 28.113 -15.222 1.00 24.63 O ATOM 829 HH TYR A 88 29.037 27.290 -15.494 1.00 0.00 H ATOM 830 H TYR A 88 34.025 29.491 -13.447 1.00 0.00 H ATOM 831 N GLU A 89 33.872 28.476 -11.259 1.00 19.91 N ATOM 832 CA GLU A 89 33.916 27.271 -10.396 1.00 19.88 C ATOM 833 C GLU A 89 34.497 27.556 -9.012 1.00 20.28 C ATOM 834 O GLU A 89 34.039 26.973 -8.016 1.00 19.00 O ATOM 835 CB GLU A 89 34.696 26.116 -11.045 1.00 19.95 C ATOM 836 CG GLU A 89 33.937 25.457 -12.190 1.00 22.36 C ATOM 837 CD GLU A 89 32.556 24.940 -11.753 1.00 23.49 C ATOM 838 OE1 GLU A 89 32.491 24.229 -10.699 1.00 23.54 O ATOM 839 OE2 GLU A 89 31.544 25.251 -12.445 1.00 22.04 O ATOM 840 H GLU A 89 34.467 28.488 -12.112 1.00 0.00 H ATOM 841 N ALA A 90 35.496 28.448 -8.955 1.00 19.47 N ATOM 842 CA ALA A 90 36.118 28.791 -7.687 1.00 19.54 C ATOM 843 C ALA A 90 35.028 29.363 -6.822 1.00 19.61 C ATOM 844 O ALA A 90 34.863 28.961 -5.668 1.00 19.17 O ATOM 845 CB ALA A 90 37.253 29.792 -7.858 1.00 18.89 C ATOM 846 H ALA A 90 35.830 28.901 -9.830 1.00 0.00 H ATOM 847 N MET A 91 34.256 30.250 -7.439 1.00 20.35 N ATOM 848 CA MET A 91 33.188 30.972 -6.784 1.00 21.01 C ATOM 849 C MET A 91 32.054 30.023 -6.324 1.00 21.04 C ATOM 850 O MET A 91 31.572 30.100 -5.180 1.00 21.91 O ATOM 851 CB MET A 91 32.739 32.070 -7.752 1.00 22.60 C ATOM 852 CG MET A 91 31.699 33.035 -7.242 1.00 24.24 C ATOM 853 SD MET A 91 30.126 32.707 -8.049 1.00 24.93 S ATOM 854 CE MET A 91 29.045 32.731 -6.629 1.00 25.08 C ATOM 855 H MET A 91 34.429 30.435 -8.448 1.00 0.00 H ATOM 856 N LEU A 92 31.646 29.109 -7.199 1.00 20.86 N ATOM 857 CA LEU A 92 30.617 28.103 -6.867 1.00 22.06 C ATOM 858 C LEU A 92 31.071 27.150 -5.770 1.00 23.27 C ATOM 859 O LEU A 92 30.302 26.856 -4.835 1.00 25.28 O ATOM 860 CB LEU A 92 30.238 27.291 -8.108 1.00 21.75 C ATOM 861 CG LEU A 92 29.400 27.980 -9.185 1.00 21.62 C ATOM 862 CD1 LEU A 92 29.137 27.041 -10.355 1.00 22.56 C ATOM 863 CD2 LEU A 92 28.083 28.521 -8.657 1.00 21.37 C ATOM 864 H LEU A 92 32.066 29.102 -8.150 1.00 0.00 H ATOM 865 N ARG A 93 32.323 26.685 -5.872 1.00 22.02 N ATOM 866 CA ARG A 93 32.909 25.873 -4.822 1.00 22.33 C ATOM 867 C ARG A 93 32.863 26.548 -3.456 1.00 22.78 C ATOM 868 O ARG A 93 32.583 25.881 -2.434 1.00 25.75 O ATOM 869 CB ARG A 93 34.346 25.494 -5.152 1.00 21.72 C ATOM 870 CG ARG A 93 34.989 24.596 -4.102 1.00 22.16 C ATOM 871 CD ARG A 93 36.245 23.968 -4.663 1.00 21.72 C ATOM 872 NE ARG A 93 36.980 23.198 -3.678 1.00 21.65 N ATOM 873 CZ ARG A 93 37.055 21.873 -3.679 1.00 21.73 C ATOM 874 NH1 ARG A 93 36.412 21.169 -4.605 1.00 20.42 N ATOM 875 NH2 ARG A 93 37.774 21.259 -2.746 1.00 21.58 N ATOM 876 HE ARG A 93 37.478 23.715 -2.926 1.00 0.00 H ATOM 877 HH12 ARG A 93 36.472 20.131 -4.604 1.00 0.00 H ATOM 878 HH11 ARG A 93 35.849 21.656 -5.331 1.00 0.00 H ATOM 879 HH22 ARG A 93 37.839 20.221 -2.739 1.00 0.00 H ATOM 880 HH21 ARG A 93 38.272 21.816 -2.023 1.00 0.00 H ATOM 881 H ARG A 93 32.885 26.910 -6.718 1.00 0.00 H ATOM 882 N ARG A 94 33.122 27.852 -3.410 1.00 21.39 N ATOM 883 CA ARG A 94 33.187 28.511 -2.089 1.00 23.81 C ATOM 884 C ARG A 94 31.776 28.661 -1.548 1.00 22.68 C ATOM 885 O ARG A 94 31.545 28.526 -0.351 1.00 24.47 O ATOM 886 CB ARG A 94 33.926 29.877 -2.123 1.00 22.16 C ATOM 887 CG ARG A 94 35.405 29.798 -2.430 1.00 21.29 C ATOM 888 CD ARG A 94 35.990 31.196 -2.613 1.00 24.23 C ATOM 889 NE ARG A 94 35.602 31.809 -3.896 1.00 25.12 N ATOM 890 CZ ARG A 94 36.428 32.412 -4.757 1.00 25.40 C ATOM 891 NH1 ARG A 94 37.727 32.530 -4.511 1.00 26.26 N ATOM 892 NH2 ARG A 94 35.947 32.942 -5.865 1.00 26.99 N ATOM 893 HE ARG A 94 34.595 31.769 -4.155 1.00 0.00 H ATOM 894 HH12 ARG A 94 38.346 33.004 -5.199 1.00 0.00 H ATOM 895 HH11 ARG A 94 38.126 32.148 -3.630 1.00 0.00 H ATOM 896 HH22 ARG A 94 36.587 33.412 -6.537 1.00 0.00 H ATOM 897 HH21 ARG A 94 34.928 32.890 -6.067 1.00 0.00 H ATOM 898 H ARG A 94 33.275 28.395 -4.284 1.00 0.00 H ATOM 899 N SER A 95 30.847 28.937 -2.457 1.00 20.79 N ATOM 900 CA SER A 95 29.446 29.029 -2.121 1.00 19.62 C ATOM 901 C SER A 95 28.872 27.650 -1.677 1.00 19.90 C ATOM 902 O SER A 95 28.297 27.566 -0.619 1.00 18.98 O ATOM 903 CB SER A 95 28.693 29.688 -3.279 1.00 19.10 C ATOM 904 OG SER A 95 29.292 30.958 -3.581 1.00 19.25 O ATOM 905 HG SER A 95 30.239 30.822 -3.838 1.00 0.00 H ATOM 906 H SER A 95 31.139 29.092 -3.443 1.00 0.00 H ATOM 907 N ALA A 96 29.049 26.575 -2.455 1.00 21.12 N ATOM 908 CA ALA A 96 28.610 25.241 -1.977 1.00 23.50 C ATOM 909 C ALA A 96 29.190 24.855 -0.597 1.00 23.58 C ATOM 910 O ALA A 96 28.428 24.605 0.331 1.00 24.82 O ATOM 911 CB ALA A 96 28.871 24.133 -3.015 1.00 22.72 C ATOM 912 H ALA A 96 29.492 26.675 -3.390 1.00 0.00 H ATOM 913 N LEU A 97 30.517 24.813 -0.457 1.00 24.45 N ATOM 914 CA LEU A 97 31.128 24.425 0.827 1.00 26.84 C ATOM 915 C LEU A 97 30.568 25.210 1.993 1.00 26.89 C ATOM 916 O LEU A 97 30.419 24.677 3.078 1.00 29.62 O ATOM 917 CB LEU A 97 32.661 24.536 0.821 1.00 26.52 C ATOM 918 CG LEU A 97 33.461 23.902 -0.339 1.00 29.52 C ATOM 919 CD1 LEU A 97 34.930 23.674 0.065 1.00 27.11 C ATOM 920 CD2 LEU A 97 32.808 22.631 -0.931 1.00 27.40 C ATOM 921 H LEU A 97 31.127 25.057 -1.263 1.00 0.00 H ATOM 922 N ALA A 98 30.251 26.474 1.761 1.00 26.30 N ATOM 923 CA ALA A 98 29.663 27.325 2.778 1.00 24.41 C ATOM 924 C ALA A 98 28.186 27.048 3.063 1.00 25.20 C ATOM 925 O ALA A 98 27.789 27.062 4.206 1.00 25.86 O ATOM 926 CB ALA A 98 29.861 28.784 2.410 1.00 22.73 C ATOM 927 H ALA A 98 30.430 26.871 0.816 1.00 0.00 H ATOM 928 N LEU A 99 27.353 26.834 2.046 1.00 24.55 N ATOM 929 CA LEU A 99 25.909 26.886 2.272 1.00 23.63 C ATOM 930 C LEU A 99 25.212 25.549 2.071 1.00 26.50 C ATOM 931 O LEU A 99 24.079 25.354 2.504 1.00 26.56 O ATOM 932 CB LEU A 99 25.265 27.905 1.327 1.00 23.13 C ATOM 933 CG LEU A 99 25.889 29.292 1.218 1.00 22.68 C ATOM 934 CD1 LEU A 99 25.125 30.081 0.190 1.00 21.59 C ATOM 935 CD2 LEU A 99 25.943 30.038 2.551 1.00 22.11 C ATOM 936 H LEU A 99 27.727 26.631 1.097 1.00 0.00 H ATOM 937 N SER A 100 25.858 24.648 1.360 1.00 25.75 N ATOM 938 CA SER A 100 25.207 23.442 1.023 1.00 27.04 C ATOM 939 C SER A 100 25.621 22.402 2.045 1.00 29.10 C ATOM 940 O SER A 100 26.822 22.147 2.200 1.00 31.80 O ATOM 941 CB SER A 100 25.594 23.030 -0.380 1.00 26.10 C ATOM 942 OG SER A 100 24.596 22.186 -0.883 1.00 30.34 O ATOM 943 HG SER A 100 24.834 21.907 -1.802 1.00 0.00 H ATOM 944 H SER A 100 26.835 24.823 1.051 1.00 0.00 H ATOM 945 N PRO A 101 24.643 21.845 2.788 1.00 28.51 N ATOM 946 CA PRO A 101 24.910 20.717 3.645 1.00 29.53 C ATOM 947 C PRO A 101 25.607 19.579 2.898 1.00 31.43 C ATOM 948 O PRO A 101 26.576 19.034 3.422 1.00 32.22 O ATOM 949 CB PRO A 101 23.500 20.287 4.111 1.00 28.43 C ATOM 950 CG PRO A 101 22.547 21.013 3.226 1.00 27.51 C ATOM 951 CD PRO A 101 23.254 22.294 2.952 1.00 27.18 C ATOM 952 N ASP A 102 25.180 19.242 1.675 1.00 30.66 N ATOM 953 CA ASP A 102 25.770 18.057 1.000 1.00 29.87 C ATOM 954 C ASP A 102 26.884 18.421 0.025 1.00 29.79 C ATOM 955 O ASP A 102 27.274 17.589 -0.816 1.00 25.27 O ATOM 956 CB ASP A 102 24.706 17.263 0.246 1.00 28.77 C ATOM 957 CG ASP A 102 23.922 18.114 -0.723 1.00 31.16 C ATOM 958 OD1 ASP A 102 22.839 17.657 -1.158 1.00 32.31 O ATOM 959 OD2 ASP A 102 24.349 19.256 -1.028 1.00 32.80 O ATOM 960 H ASP A 102 24.443 19.804 1.202 1.00 0.00 H ATOM 961 N ARG A 103 27.333 19.679 0.134 1.00 28.30 N ATOM 962 CA ARG A 103 28.265 20.345 -0.795 1.00 29.92 C ATOM 963 C ARG A 103 27.858 20.411 -2.297 1.00 28.33 C ATOM 964 O ARG A 103 28.683 20.671 -3.178 1.00 26.10 O ATOM 965 CB ARG A 103 29.710 19.893 -0.535 1.00 32.38 C ATOM 966 CG ARG A 103 30.188 20.389 0.836 1.00 34.86 C ATOM 967 CD ARG A 103 31.028 19.351 1.550 1.00 40.24 C ATOM 968 NE ARG A 103 32.164 18.927 0.725 1.00 43.77 N ATOM 969 CZ ARG A 103 33.326 19.570 0.634 1.00 45.16 C ATOM 970 NH1 ARG A 103 33.542 20.687 1.323 1.00 46.36 N ATOM 971 NH2 ARG A 103 34.283 19.090 -0.155 1.00 43.36 N ATOM 972 HE ARG A 103 32.053 18.056 0.168 1.00 0.00 H ATOM 973 HH12 ARG A 103 34.455 21.179 1.243 1.00 0.00 H ATOM 974 HH11 ARG A 103 32.798 21.068 1.942 1.00 0.00 H ATOM 975 HH22 ARG A 103 35.193 19.588 -0.230 1.00 0.00 H ATOM 976 HH21 ARG A 103 34.121 18.217 -0.697 1.00 0.00 H ATOM 977 H ARG A 103 26.994 20.235 0.945 1.00 0.00 H ATOM 978 N CYS A 104 26.563 20.213 -2.556 1.00 28.62 N ATOM 979 CA CYS A 104 26.004 20.261 -3.907 1.00 26.69 C ATOM 980 C CYS A 104 24.951 21.315 -4.100 1.00 25.47 C ATOM 981 O CYS A 104 24.257 21.717 -3.181 1.00 27.47 O ATOM 982 CB CYS A 104 25.384 18.937 -4.319 1.00 26.20 C ATOM 983 SG CYS A 104 26.429 17.518 -4.062 1.00 25.29 S ATOM 984 H CYS A 104 25.923 20.016 -1.761 1.00 0.00 H ATOM 985 N LEU A 105 24.807 21.718 -5.353 1.00 26.36 N ATOM 986 CA LEU A 105 23.839 22.720 -5.735 1.00 25.92 C ATOM 987 C LEU A 105 23.305 22.452 -7.137 1.00 26.80 C ATOM 988 O LEU A 105 23.630 21.434 -7.788 1.00 26.61 O ATOM 989 CB LEU A 105 24.425 24.154 -5.583 1.00 22.53 C ATOM 990 CG LEU A 105 25.879 24.399 -5.962 1.00 20.01 C ATOM 991 CD1 LEU A 105 25.952 24.601 -7.459 1.00 20.72 C ATOM 992 CD2 LEU A 105 26.442 25.624 -5.271 1.00 19.55 C ATOM 993 H LEU A 105 25.412 21.299 -6.088 1.00 0.00 H ATOM 994 N SER A 106 22.452 23.365 -7.570 1.00 25.17 N ATOM 995 CA SER A 106 21.997 23.378 -8.920 1.00 23.75 C ATOM 996 C SER A 106 22.530 24.675 -9.439 1.00 21.35 C ATOM 997 O SER A 106 22.316 25.724 -8.837 1.00 23.26 O ATOM 998 CB SER A 106 20.466 23.384 -8.956 1.00 25.28 C ATOM 999 OG SER A 106 19.958 22.254 -8.260 1.00 29.36 O ATOM 1000 HG SER A 106 18.969 22.267 -8.289 1.00 0.00 H ATOM 1001 H SER A 106 22.105 24.090 -6.910 1.00 0.00 H ATOM 1002 N LEU A 107 23.267 24.610 -10.522 1.00 17.65 N ATOM 1003 CA LEU A 107 23.571 25.815 -11.236 1.00 16.80 C ATOM 1004 C LEU A 107 22.703 25.893 -12.482 1.00 16.98 C ATOM 1005 O LEU A 107 22.676 24.998 -13.337 1.00 16.32 O ATOM 1006 CB LEU A 107 25.059 25.907 -11.549 1.00 16.36 C ATOM 1007 CG LEU A 107 25.680 26.891 -12.558 1.00 16.37 C ATOM 1008 CD1 LEU A 107 25.272 26.630 -14.022 1.00 15.70 C ATOM 1009 CD2 LEU A 107 25.483 28.343 -12.153 1.00 16.42 C ATOM 1010 H LEU A 107 23.627 23.694 -10.859 1.00 0.00 H ATOM 1011 N GLU A 108 21.964 26.980 -12.571 1.00 18.85 N ATOM 1012 CA GLU A 108 21.043 27.169 -13.687 1.00 19.66 C ATOM 1013 C GLU A 108 21.387 28.415 -14.501 1.00 19.44 C ATOM 1014 O GLU A 108 21.432 29.529 -13.969 1.00 19.03 O ATOM 1015 CB GLU A 108 19.585 27.155 -13.213 1.00 18.61 C ATOM 1016 CG GLU A 108 18.627 27.528 -14.308 1.00 20.30 C ATOM 1017 CD GLU A 108 17.238 26.961 -14.118 1.00 22.11 C ATOM 1018 OE1 GLU A 108 16.970 26.329 -13.068 1.00 21.02 O ATOM 1019 OE2 GLU A 108 16.417 27.156 -15.050 1.00 22.49 O ATOM 1020 H GLU A 108 22.038 27.713 -11.837 1.00 0.00 H ATOM 1021 N GLN A 109 21.604 28.208 -15.799 1.00 19.96 N ATOM 1022 CA GLN A 109 22.060 29.263 -16.689 1.00 20.83 C ATOM 1023 C GLN A 109 21.235 29.326 -17.973 1.00 20.85 C ATOM 1024 O GLN A 109 20.620 28.339 -18.397 1.00 19.81 O ATOM 1025 CB GLN A 109 23.536 29.058 -17.014 1.00 22.63 C ATOM 1026 CG GLN A 109 23.782 27.822 -17.870 1.00 23.94 C ATOM 1027 CD GLN A 109 25.220 27.339 -17.831 1.00 26.40 C ATOM 1028 OE1 GLN A 109 25.494 26.247 -17.326 1.00 29.39 O ATOM 1029 NE2 GLN A 109 26.147 28.141 -18.369 1.00 26.73 N ATOM 1030 HE22 GLN A 109 25.868 29.053 -18.783 1.00 0.00 H ATOM 1031 HE21 GLN A 109 27.146 27.852 -18.373 1.00 0.00 H ATOM 1032 H GLN A 109 21.441 27.258 -16.189 1.00 0.00 H ATOM 1033 N SER A 110 21.231 30.515 -18.565 1.00 20.55 N ATOM 1034 CA SER A 110 20.518 30.802 -19.798 1.00 21.69 C ATOM 1035 C SER A 110 21.215 30.094 -20.950 1.00 22.46 C ATOM 1036 O SER A 110 22.435 29.965 -20.915 1.00 24.65 O ATOM 1037 CB SER A 110 20.521 32.325 -20.025 1.00 21.99 C ATOM 1038 OG SER A 110 19.646 32.734 -21.059 1.00 21.42 O ATOM 1039 HG SER A 110 19.916 32.303 -21.908 1.00 0.00 H ATOM 1040 H SER A 110 21.770 31.285 -18.120 1.00 0.00 H ATOM 1041 N THR A 111 20.442 29.629 -21.939 1.00 21.97 N ATOM 1042 CA THR A 111 20.940 28.948 -23.140 1.00 20.11 C ATOM 1043 C THR A 111 20.611 29.816 -24.357 1.00 20.79 C ATOM 1044 O THR A 111 20.854 29.415 -25.510 1.00 20.64 O ATOM 1045 CB THR A 111 20.222 27.601 -23.406 1.00 20.65 C ATOM 1046 OG1 THR A 111 18.832 27.832 -23.698 1.00 18.80 O ATOM 1047 CG2 THR A 111 20.357 26.636 -22.254 1.00 20.90 C ATOM 1048 HG1 THR A 111 18.756 28.406 -24.501 1.00 0.00 H ATOM 1049 H THR A 111 19.414 29.760 -21.850 1.00 0.00 H ATOM 1050 N GLN A 112 20.035 30.991 -24.091 1.00 19.68 N ATOM 1051 CA GLN A 112 19.642 31.933 -25.130 1.00 19.41 C ATOM 1052 C GLN A 112 20.152 33.358 -24.915 1.00 19.71 C ATOM 1053 O GLN A 112 20.405 33.813 -23.807 1.00 21.08 O ATOM 1054 CB GLN A 112 18.120 31.950 -25.255 1.00 20.37 C ATOM 1055 CG GLN A 112 17.542 30.532 -25.318 1.00 20.85 C ATOM 1056 CD GLN A 112 16.082 30.521 -25.604 1.00 21.47 C ATOM 1057 OE1 GLN A 112 15.307 31.236 -24.937 1.00 24.40 O ATOM 1058 NE2 GLN A 112 15.675 29.737 -26.615 1.00 19.35 N ATOM 1059 HE22 GLN A 112 16.366 29.161 -27.137 1.00 0.00 H ATOM 1060 HE21 GLN A 112 14.669 29.705 -26.876 1.00 0.00 H ATOM 1061 H GLN A 112 19.859 31.245 -23.098 1.00 0.00 H ATOM 1062 N THR A 113 20.284 34.088 -25.995 1.00 19.17 N ATOM 1063 CA THR A 113 20.588 35.499 -25.864 1.00 17.55 C ATOM 1064 C THR A 113 19.279 36.304 -25.869 1.00 17.56 C ATOM 1065 O THR A 113 18.313 35.856 -26.478 1.00 19.55 O ATOM 1066 CB THR A 113 21.520 35.948 -27.003 1.00 15.88 C ATOM 1067 OG1 THR A 113 21.751 37.336 -26.866 1.00 15.74 O ATOM 1068 CG2 THR A 113 20.926 35.654 -28.374 1.00 15.98 C ATOM 1069 HG1 THR A 113 22.350 37.643 -27.592 1.00 0.00 H ATOM 1070 H THR A 113 20.172 33.660 -26.936 1.00 0.00 H ATOM 1071 N VAL A 114 19.259 37.433 -25.152 1.00 16.52 N ATOM 1072 CA VAL A 114 18.289 38.495 -25.245 1.00 15.54 C ATOM 1073 C VAL A 114 19.046 39.745 -25.712 1.00 17.34 C ATOM 1074 O VAL A 114 18.457 40.804 -25.955 1.00 16.21 O ATOM 1075 CB VAL A 114 17.644 38.787 -23.855 1.00 17.40 C ATOM 1076 CG1 VAL A 114 16.785 37.601 -23.380 1.00 15.99 C ATOM 1077 CG2 VAL A 114 18.695 39.166 -22.780 1.00 16.05 C ATOM 1078 H VAL A 114 20.022 37.557 -24.456 1.00 0.00 H ATOM 1079 N GLN A 115 20.364 39.620 -25.869 1.00 18.15 N ATOM 1080 CA GLN A 115 21.182 40.754 -26.253 1.00 19.42 C ATOM 1081 C GLN A 115 21.700 40.715 -27.727 1.00 19.57 C ATOM 1082 O GLN A 115 22.265 39.724 -28.180 1.00 18.72 O ATOM 1083 CB GLN A 115 22.335 40.884 -25.255 1.00 19.80 C ATOM 1084 CG GLN A 115 22.843 42.292 -25.137 1.00 21.84 C ATOM 1085 CD GLN A 115 24.050 42.447 -24.241 1.00 23.36 C ATOM 1086 OE1 GLN A 115 24.907 43.275 -24.507 1.00 25.89 O ATOM 1087 NE2 GLN A 115 24.118 41.681 -23.171 1.00 23.87 N ATOM 1088 HE22 GLN A 115 23.367 40.987 -22.980 1.00 0.00 H ATOM 1089 HE21 GLN A 115 24.922 41.770 -22.518 1.00 0.00 H ATOM 1090 H GLN A 115 20.812 38.695 -25.714 1.00 0.00 H ATOM 1091 N GLY A 116 21.538 41.806 -28.466 1.00 18.92 N ATOM 1092 CA GLY A 116 22.163 41.912 -29.790 1.00 18.09 C ATOM 1093 C GLY A 116 23.660 41.781 -29.716 1.00 18.10 C ATOM 1094 O GLY A 116 24.260 42.135 -28.704 1.00 17.40 O ATOM 1095 H GLY A 116 20.963 42.593 -28.103 1.00 0.00 H ATOM 1096 N PRO A 117 24.295 41.306 -30.800 1.00 19.18 N ATOM 1097 CA PRO A 117 25.746 41.012 -30.699 1.00 20.80 C ATOM 1098 C PRO A 117 26.587 42.277 -30.404 1.00 21.68 C ATOM 1099 O PRO A 117 27.560 42.206 -29.666 1.00 21.04 O ATOM 1100 CB PRO A 117 26.063 40.440 -32.067 1.00 19.48 C ATOM 1101 CG PRO A 117 25.147 41.234 -32.981 1.00 19.62 C ATOM 1102 CD PRO A 117 23.866 41.415 -32.201 1.00 18.90 C ATOM 1103 N ASP A 118 26.154 43.430 -30.924 1.00 24.96 N ATOM 1104 CA ASP A 118 26.881 44.700 -30.787 1.00 26.02 C ATOM 1105 C ASP A 118 26.349 45.642 -29.724 1.00 26.15 C ATOM 1106 O ASP A 118 26.780 46.795 -29.654 1.00 28.64 O ATOM 1107 CB ASP A 118 26.854 45.441 -32.111 1.00 28.50 C ATOM 1108 CG ASP A 118 27.303 44.581 -33.259 1.00 32.67 C ATOM 1109 OD1 ASP A 118 28.530 44.358 -33.405 1.00 34.91 O ATOM 1110 OD2 ASP A 118 26.415 44.142 -34.034 1.00 37.67 O ATOM 1111 H ASP A 118 25.258 43.428 -31.452 1.00 0.00 H ATOM 1112 N SER A 119 25.399 45.170 -28.921 1.00 24.49 N ATOM 1113 CA SER A 119 24.803 45.953 -27.836 1.00 22.09 C ATOM 1114 C SER A 119 25.786 46.131 -26.653 1.00 21.39 C ATOM 1115 O SER A 119 26.613 45.245 -26.374 1.00 20.66 O ATOM 1116 CB SER A 119 23.483 45.289 -27.383 1.00 21.53 C ATOM 1117 OG SER A 119 22.872 46.032 -26.342 1.00 21.97 O ATOM 1118 HG SER A 119 22.030 45.587 -26.070 1.00 0.00 H ATOM 1119 H SER A 119 25.063 44.197 -29.071 1.00 0.00 H ATOM 1120 N ALA A 120 25.726 47.282 -25.981 1.00 19.88 N ATOM 1121 CA ALA A 120 26.533 47.462 -24.787 1.00 20.24 C ATOM 1122 C ALA A 120 25.655 47.604 -23.538 1.00 20.47 C ATOM 1123 O ALA A 120 26.071 48.218 -22.582 1.00 19.40 O ATOM 1124 CB ALA A 120 27.493 48.625 -24.927 1.00 20.07 C ATOM 1125 H ALA A 120 25.104 48.047 -26.311 1.00 0.00 H ATOM 1126 N ALA A 121 24.477 46.966 -23.563 1.00 20.49 N ATOM 1127 CA ALA A 121 23.523 46.991 -22.465 1.00 19.96 C ATOM 1128 C ALA A 121 23.684 45.858 -21.506 1.00 19.28 C ATOM 1129 O ALA A 121 22.841 45.701 -20.647 1.00 20.06 O ATOM 1130 CB ALA A 121 22.091 46.961 -23.007 1.00 21.94 C ATOM 1131 H ALA A 121 24.231 46.423 -24.415 1.00 0.00 H ATOM 1132 N CYS A 122 24.734 45.047 -21.607 1.00 18.86 N ATOM 1133 CA CYS A 122 24.750 43.829 -20.785 1.00 17.68 C ATOM 1134 C CYS A 122 24.408 44.119 -19.340 1.00 18.32 C ATOM 1135 O CYS A 122 23.586 43.416 -18.720 1.00 19.38 O ATOM 1136 CB CYS A 122 26.077 43.083 -20.851 1.00 18.70 C ATOM 1137 SG CYS A 122 27.525 44.038 -20.354 1.00 18.54 S ATOM 1138 H CYS A 122 25.521 45.269 -22.250 1.00 0.00 H ATOM 1139 N GLY A 123 25.020 45.169 -18.802 1.00 17.00 N ATOM 1140 CA GLY A 123 24.938 45.435 -17.378 1.00 15.98 C ATOM 1141 C GLY A 123 23.499 45.589 -16.966 1.00 15.11 C ATOM 1142 O GLY A 123 23.103 45.165 -15.871 1.00 15.54 O ATOM 1143 H GLY A 123 25.567 45.810 -19.412 1.00 0.00 H ATOM 1144 N LEU A 124 22.728 46.151 -17.890 1.00 14.30 N ATOM 1145 CA LEU A 124 21.351 46.559 -17.670 1.00 12.81 C ATOM 1146 C LEU A 124 20.465 45.333 -17.763 1.00 13.24 C ATOM 1147 O LEU A 124 19.617 45.113 -16.924 1.00 12.57 O ATOM 1148 CB LEU A 124 20.974 47.574 -18.727 1.00 11.68 C ATOM 1149 CG LEU A 124 21.733 48.894 -18.685 1.00 11.31 C ATOM 1150 CD1 LEU A 124 21.200 49.730 -19.800 1.00 11.07 C ATOM 1151 CD2 LEU A 124 21.510 49.657 -17.384 1.00 10.93 C ATOM 1152 H LEU A 124 23.137 46.309 -18.833 1.00 0.00 H ATOM 1153 N PHE A 125 20.674 44.500 -18.778 1.00 13.63 N ATOM 1154 CA PHE A 125 19.933 43.269 -18.820 1.00 14.29 C ATOM 1155 C PHE A 125 20.136 42.483 -17.504 1.00 14.84 C ATOM 1156 O PHE A 125 19.208 41.799 -17.048 1.00 14.41 O ATOM 1157 CB PHE A 125 20.328 42.411 -20.007 1.00 13.90 C ATOM 1158 CG PHE A 125 19.722 42.840 -21.300 1.00 14.28 C ATOM 1159 CD1 PHE A 125 20.504 43.359 -22.292 1.00 13.53 C ATOM 1160 CD2 PHE A 125 18.361 42.667 -21.548 1.00 14.69 C ATOM 1161 CE1 PHE A 125 19.946 43.719 -23.506 1.00 14.01 C ATOM 1162 CE2 PHE A 125 17.803 43.031 -22.775 1.00 14.08 C ATOM 1163 CZ PHE A 125 18.597 43.572 -23.744 1.00 13.61 C ATOM 1164 H PHE A 125 21.359 44.734 -19.525 1.00 0.00 H ATOM 1165 N CYS A 126 21.350 42.547 -16.942 1.00 14.86 N ATOM 1166 CA CYS A 126 21.642 41.958 -15.635 1.00 15.66 C ATOM 1167 C CYS A 126 20.760 42.529 -14.492 1.00 15.21 C ATOM 1168 O CYS A 126 20.171 41.789 -13.693 1.00 14.49 O ATOM 1169 CB CYS A 126 23.133 42.078 -15.308 1.00 16.50 C ATOM 1170 SG CYS A 126 24.208 41.011 -16.317 1.00 18.92 S ATOM 1171 H CYS A 126 22.114 43.034 -17.454 1.00 0.00 H ATOM 1172 N CYS A 127 20.648 43.845 -14.457 1.00 15.63 N ATOM 1173 CA CYS A 127 19.737 44.485 -13.556 1.00 18.19 C ATOM 1174 C CYS A 127 18.332 43.846 -13.643 1.00 18.87 C ATOM 1175 O CYS A 127 17.723 43.547 -12.608 1.00 18.49 O ATOM 1176 CB CYS A 127 19.641 45.989 -13.848 1.00 18.25 C ATOM 1177 SG CYS A 127 21.114 46.955 -13.471 1.00 19.24 S ATOM 1178 H CYS A 127 21.231 44.425 -15.094 1.00 0.00 H ATOM 1179 N MET A 128 17.854 43.649 -14.878 1.00 18.69 N ATOM 1180 CA MET A 128 16.482 43.280 -15.187 1.00 17.87 C ATOM 1181 C MET A 128 16.272 41.899 -14.700 1.00 18.24 C ATOM 1182 O MET A 128 15.250 41.614 -14.092 1.00 19.30 O ATOM 1183 CB MET A 128 16.227 43.330 -16.703 1.00 18.85 C ATOM 1184 CG MET A 128 14.744 43.339 -17.056 1.00 18.48 C ATOM 1185 SD MET A 128 14.319 43.725 -18.772 1.00 20.08 S ATOM 1186 CE MET A 128 12.572 43.219 -18.793 1.00 18.59 C ATOM 1187 H MET A 128 18.512 43.769 -15.674 1.00 0.00 H ATOM 1188 N PHE A 129 17.247 41.024 -14.939 1.00 18.74 N ATOM 1189 CA PHE A 129 17.116 39.672 -14.482 1.00 19.76 C ATOM 1190 C PHE A 129 17.031 39.697 -12.952 1.00 21.63 C ATOM 1191 O PHE A 129 16.200 38.999 -12.342 1.00 23.09 O ATOM 1192 CB PHE A 129 18.303 38.836 -14.923 1.00 20.06 C ATOM 1193 CG PHE A 129 18.420 37.507 -14.201 1.00 19.51 C ATOM 1194 CD1 PHE A 129 17.654 36.417 -14.592 1.00 19.83 C ATOM 1195 CD2 PHE A 129 19.323 37.344 -13.161 1.00 20.10 C ATOM 1196 CE1 PHE A 129 17.765 35.195 -13.932 1.00 21.95 C ATOM 1197 CE2 PHE A 129 19.459 36.114 -12.505 1.00 20.51 C ATOM 1198 CZ PHE A 129 18.665 35.039 -12.875 1.00 20.08 C ATOM 1199 H PHE A 129 18.100 41.320 -15.455 1.00 0.00 H ATOM 1200 N LEU A 130 17.894 40.499 -12.333 1.00 19.89 N ATOM 1201 CA LEU A 130 17.941 40.525 -10.889 1.00 19.25 C ATOM 1202 C LEU A 130 16.627 40.963 -10.271 1.00 18.91 C ATOM 1203 O LEU A 130 16.269 40.507 -9.188 1.00 18.99 O ATOM 1204 CB LEU A 130 19.076 41.408 -10.393 1.00 18.50 C ATOM 1205 CG LEU A 130 20.499 40.867 -10.400 1.00 18.25 C ATOM 1206 CD1 LEU A 130 21.331 41.695 -9.427 1.00 18.70 C ATOM 1207 CD2 LEU A 130 20.578 39.408 -9.987 1.00 18.19 C ATOM 1208 H LEU A 130 18.532 41.105 -12.887 1.00 0.00 H ATOM 1209 N HIS A 131 15.902 41.853 -10.941 1.00 18.22 N ATOM 1210 CA HIS A 131 14.606 42.218 -10.441 1.00 17.92 C ATOM 1211 C HIS A 131 13.814 40.944 -10.429 1.00 19.04 C ATOM 1212 O HIS A 131 13.276 40.551 -9.382 1.00 21.34 O ATOM 1213 CB HIS A 131 13.967 43.281 -11.290 1.00 17.16 C ATOM 1214 CG HIS A 131 12.546 43.582 -10.933 1.00 16.87 C ATOM 1215 ND1 HIS A 131 11.498 42.756 -11.279 1.00 15.33 N ATOM 1216 CD2 HIS A 131 11.991 44.653 -10.311 1.00 16.42 C ATOM 1217 CE1 HIS A 131 10.363 43.293 -10.875 1.00 14.79 C ATOM 1218 NE2 HIS A 131 10.633 44.444 -10.287 1.00 16.13 N ATOM 1219 H HIS A 131 16.268 42.280 -11.816 1.00 0.00 H ATOM 1220 N ALA A 132 13.815 40.256 -11.563 1.00 20.19 N ATOM 1221 CA ALA A 132 12.974 39.054 -11.764 1.00 20.97 C ATOM 1222 C ALA A 132 13.290 38.059 -10.691 1.00 21.92 C ATOM 1223 O ALA A 132 12.375 37.594 -9.991 1.00 25.37 O ATOM 1224 CB ALA A 132 13.186 38.433 -13.148 1.00 20.08 C ATOM 1225 H ALA A 132 14.429 40.573 -12.340 1.00 0.00 H ATOM 1226 N PHE A 133 14.586 37.760 -10.558 1.00 21.70 N ATOM 1227 CA PHE A 133 15.121 36.949 -9.459 1.00 21.04 C ATOM 1228 C PHE A 133 14.593 37.342 -8.081 1.00 21.07 C ATOM 1229 O PHE A 133 14.126 36.470 -7.357 1.00 22.12 O ATOM 1230 CB PHE A 133 16.681 36.898 -9.460 1.00 20.73 C ATOM 1231 CG PHE A 133 17.278 36.066 -8.319 1.00 19.53 C ATOM 1232 CD1 PHE A 133 17.283 34.688 -8.375 1.00 18.48 C ATOM 1233 CD2 PHE A 133 17.806 36.681 -7.193 1.00 20.05 C ATOM 1234 CE1 PHE A 133 17.790 33.942 -7.331 1.00 19.19 C ATOM 1235 CE2 PHE A 133 18.321 35.945 -6.121 1.00 19.81 C ATOM 1236 CZ PHE A 133 18.298 34.568 -6.194 1.00 20.12 C ATOM 1237 H PHE A 133 15.250 38.122 -11.272 1.00 0.00 H ATOM 1238 N VAL A 134 14.659 38.629 -7.709 1.00 21.09 N ATOM 1239 CA VAL A 134 14.382 38.990 -6.322 1.00 20.75 C ATOM 1240 C VAL A 134 12.924 38.963 -6.078 1.00 20.53 C ATOM 1241 O VAL A 134 12.529 39.136 -4.959 1.00 22.48 O ATOM 1242 CB VAL A 134 14.952 40.359 -5.795 1.00 21.23 C ATOM 1243 CG1 VAL A 134 16.473 40.340 -5.716 1.00 21.23 C ATOM 1244 CG2 VAL A 134 14.426 41.560 -6.555 1.00 21.71 C ATOM 1245 H VAL A 134 14.905 39.363 -8.403 1.00 0.00 H ATOM 1246 N HIS A 135 12.125 38.749 -7.115 1.00 20.90 N ATOM 1247 CA HIS A 135 10.665 38.647 -6.925 1.00 20.03 C ATOM 1248 C HIS A 135 10.162 37.231 -7.199 1.00 19.08 C ATOM 1249 O HIS A 135 9.118 36.823 -6.710 1.00 19.19 O ATOM 1250 CB HIS A 135 9.931 39.670 -7.809 1.00 19.68 C ATOM 1251 CG HIS A 135 10.112 41.078 -7.359 1.00 20.33 C ATOM 1252 ND1 HIS A 135 11.243 41.812 -7.653 1.00 20.98 N ATOM 1253 CD2 HIS A 135 9.316 41.891 -6.630 1.00 19.33 C ATOM 1254 CE1 HIS A 135 11.127 43.023 -7.129 1.00 19.59 C ATOM 1255 NE2 HIS A 135 9.966 43.098 -6.516 1.00 19.30 N ATOM 1256 H HIS A 135 12.530 38.652 -8.068 1.00 0.00 H ATOM 1257 N TRP A 136 10.906 36.476 -7.994 1.00 18.17 N ATOM 1258 CA TRP A 136 10.419 35.195 -8.452 1.00 17.61 C ATOM 1259 C TRP A 136 11.583 34.226 -8.469 1.00 17.05 C ATOM 1260 O TRP A 136 11.890 33.624 -9.525 1.00 16.21 O ATOM 1261 CB TRP A 136 9.742 35.362 -9.845 1.00 18.88 C ATOM 1262 CG TRP A 136 8.523 36.233 -9.726 1.00 19.60 C ATOM 1263 CD1 TRP A 136 7.383 35.916 -9.056 1.00 19.01 C ATOM 1264 CD2 TRP A 136 8.363 37.587 -10.173 1.00 19.31 C ATOM 1265 NE1 TRP A 136 6.517 36.958 -9.086 1.00 20.07 N ATOM 1266 CE2 TRP A 136 7.085 38.005 -9.764 1.00 20.18 C ATOM 1267 CE3 TRP A 136 9.155 38.475 -10.906 1.00 20.83 C ATOM 1268 CZ2 TRP A 136 6.570 39.292 -10.064 1.00 20.37 C ATOM 1269 CZ3 TRP A 136 8.649 39.772 -11.196 1.00 21.17 C ATOM 1270 CH2 TRP A 136 7.372 40.160 -10.781 1.00 20.03 C ATOM 1271 HE1 TRP A 136 5.568 36.962 -8.660 1.00 0.00 H ATOM 1272 H TRP A 136 11.846 36.807 -8.290 1.00 0.00 H ATOM 1273 N PRO A 137 12.243 34.053 -7.310 1.00 16.21 N ATOM 1274 CA PRO A 137 13.576 33.437 -7.418 1.00 17.55 C ATOM 1275 C PRO A 137 13.486 31.980 -7.819 1.00 20.12 C ATOM 1276 O PRO A 137 14.480 31.382 -8.280 1.00 20.80 O ATOM 1277 CB PRO A 137 14.162 33.586 -6.018 1.00 17.28 C ATOM 1278 CG PRO A 137 12.993 33.851 -5.115 1.00 16.95 C ATOM 1279 CD PRO A 137 11.951 34.534 -5.951 1.00 16.48 C ATOM 1280 N ASP A 138 12.293 31.430 -7.620 1.00 21.23 N ATOM 1281 CA ASP A 138 11.962 30.103 -8.020 1.00 24.05 C ATOM 1282 C ASP A 138 11.863 30.008 -9.537 1.00 24.36 C ATOM 1283 O ASP A 138 12.178 28.965 -10.086 1.00 27.53 O ATOM 1284 CB ASP A 138 10.643 29.665 -7.380 1.00 24.22 C ATOM 1285 CG ASP A 138 10.726 29.567 -5.861 1.00 29.62 C ATOM 1286 OD1 ASP A 138 11.593 28.832 -5.316 1.00 32.15 O ATOM 1287 OD2 ASP A 138 9.899 30.210 -5.169 1.00 32.99 O ATOM 1288 H ASP A 138 11.562 31.998 -7.147 1.00 0.00 H ATOM 1289 N ARG A 139 11.440 31.065 -10.222 1.00 25.25 N ATOM 1290 CA ARG A 139 11.154 30.985 -11.690 1.00 27.66 C ATOM 1291 C ARG A 139 11.748 32.189 -12.456 1.00 25.38 C ATOM 1292 O ARG A 139 11.025 32.882 -13.173 1.00 25.00 O ATOM 1293 CB ARG A 139 9.613 30.903 -11.940 1.00 28.40 C ATOM 1294 CG ARG A 139 8.764 31.739 -10.969 1.00 33.11 C ATOM 1295 CD ARG A 139 7.486 32.398 -11.530 1.00 38.12 C ATOM 1296 NE ARG A 139 6.429 32.508 -10.489 1.00 45.16 N ATOM 1297 CZ ARG A 139 5.293 33.231 -10.559 1.00 47.22 C ATOM 1298 NH1 ARG A 139 5.001 33.988 -11.617 1.00 48.94 N ATOM 1299 NH2 ARG A 139 4.434 33.216 -9.540 1.00 44.21 N ATOM 1300 HE ARG A 139 6.583 31.969 -9.613 1.00 0.00 H ATOM 1301 HH12 ARG A 139 4.116 34.533 -11.638 1.00 0.00 H ATOM 1302 HH11 ARG A 139 5.659 34.033 -12.421 1.00 0.00 H ATOM 1303 HH22 ARG A 139 3.557 33.773 -9.591 1.00 0.00 H ATOM 1304 HH21 ARG A 139 4.641 32.648 -8.694 1.00 0.00 H ATOM 1305 H ARG A 139 11.304 31.970 -9.727 1.00 0.00 H ATOM 1306 N PRO A 140 13.049 32.471 -12.286 1.00 24.17 N ATOM 1307 CA PRO A 140 13.503 33.787 -12.760 1.00 24.06 C ATOM 1308 C PRO A 140 13.905 33.886 -14.256 1.00 25.24 C ATOM 1309 O PRO A 140 13.744 34.943 -14.868 1.00 25.13 O ATOM 1310 CB PRO A 140 14.725 34.067 -11.871 1.00 22.95 C ATOM 1311 CG PRO A 140 15.293 32.712 -11.608 1.00 22.63 C ATOM 1312 CD PRO A 140 14.129 31.741 -11.594 1.00 24.30 C ATOM 1313 N MET A 141 14.441 32.830 -14.842 1.00 24.39 N ATOM 1314 CA MET A 141 14.938 32.966 -16.189 1.00 25.99 C ATOM 1315 C MET A 141 13.762 33.261 -17.126 1.00 28.67 C ATOM 1316 O MET A 141 13.887 34.058 -18.063 1.00 33.86 O ATOM 1317 CB MET A 141 15.625 31.678 -16.608 1.00 26.25 C ATOM 1318 CG MET A 141 16.891 31.345 -15.844 1.00 26.58 C ATOM 1319 SD MET A 141 18.309 32.189 -16.548 1.00 29.98 S ATOM 1320 CE MET A 141 19.634 31.558 -15.533 1.00 31.49 C ATOM 1321 H MET A 141 14.503 31.920 -14.342 1.00 0.00 H ATOM 1322 N ASP A 142 12.627 32.602 -16.871 1.00 28.08 N ATOM 1323 CA ASP A 142 11.421 32.671 -17.720 1.00 27.38 C ATOM 1324 C ASP A 142 10.160 32.380 -16.901 1.00 24.83 C ATOM 1325 O ASP A 142 10.261 31.811 -15.815 1.00 25.80 O ATOM 1326 CB ASP A 142 11.503 31.680 -18.902 1.00 26.14 C ATOM 1327 CG ASP A 142 10.768 32.196 -20.123 1.00 27.55 C ATOM 1328 OD1 ASP A 142 9.908 33.091 -19.944 1.00 28.34 O ATOM 1329 OD2 ASP A 142 11.076 31.767 -21.266 1.00 29.23 O ATOM 1330 H ASP A 142 12.591 32.003 -16.021 1.00 0.00 H ATOM 1331 N GLY A 143 9.000 32.756 -17.439 1.00 22.41 N ATOM 1332 CA GLY A 143 7.693 32.469 -16.846 1.00 20.27 C ATOM 1333 C GLY A 143 7.425 33.316 -15.630 1.00 20.04 C ATOM 1334 O GLY A 143 7.028 32.792 -14.602 1.00 19.24 O ATOM 1335 H GLY A 143 9.025 33.285 -18.334 1.00 0.00 H ATOM 1336 N ASN A 144 7.675 34.625 -15.738 1.00 19.53 N ATOM 1337 CA ASN A 144 7.401 35.585 -14.635 1.00 19.49 C ATOM 1338 C ASN A 144 7.139 36.987 -15.228 1.00 18.97 C ATOM 1339 O ASN A 144 7.589 37.254 -16.307 1.00 21.52 O ATOM 1340 CB ASN A 144 8.550 35.559 -13.605 1.00 17.97 C ATOM 1341 CG ASN A 144 9.757 36.386 -14.024 1.00 18.66 C ATOM 1342 OD1 ASN A 144 10.839 35.864 -14.221 1.00 18.18 O ATOM 1343 ND2 ASN A 144 9.579 37.686 -14.122 1.00 20.36 N ATOM 1344 HD22 ASN A 144 8.640 38.097 -13.946 1.00 0.00 H ATOM 1345 HD21 ASN A 144 10.377 38.303 -14.375 1.00 0.00 H ATOM 1346 H ASN A 144 8.076 34.986 -16.627 1.00 0.00 H ATOM 1347 N PRO A 145 6.382 37.864 -14.572 1.00 19.38 N ATOM 1348 CA PRO A 145 6.150 39.214 -15.210 1.00 19.74 C ATOM 1349 C PRO A 145 7.369 39.972 -15.820 1.00 21.21 C ATOM 1350 O PRO A 145 7.168 40.740 -16.785 1.00 23.06 O ATOM 1351 CB PRO A 145 5.556 40.062 -14.078 1.00 18.18 C ATOM 1352 CG PRO A 145 4.968 39.068 -13.114 1.00 19.26 C ATOM 1353 CD PRO A 145 5.524 37.666 -13.383 1.00 19.80 C ATOM 1354 N THR A 146 8.591 39.779 -15.309 1.00 19.24 N ATOM 1355 CA THR A 146 9.685 40.638 -15.751 1.00 19.61 C ATOM 1356 C THR A 146 10.406 40.084 -16.961 1.00 19.92 C ATOM 1357 O THR A 146 10.521 40.739 -17.990 1.00 17.69 O ATOM 1358 CB THR A 146 10.644 41.025 -14.613 1.00 20.10 C ATOM 1359 OG1 THR A 146 9.997 41.997 -13.773 1.00 21.07 O ATOM 1360 CG2 THR A 146 11.897 41.677 -15.158 1.00 19.57 C ATOM 1361 HG1 THR A 146 10.607 42.253 -13.036 1.00 0.00 H ATOM 1362 H THR A 146 8.758 39.029 -14.608 1.00 0.00 H ATOM 1363 N MET A 147 10.866 38.851 -16.838 1.00 21.20 N ATOM 1364 CA MET A 147 11.527 38.210 -17.949 1.00 21.11 C ATOM 1365 C MET A 147 10.605 37.886 -19.108 1.00 22.81 C ATOM 1366 O MET A 147 11.082 37.733 -20.252 1.00 23.64 O ATOM 1367 CB MET A 147 12.323 37.002 -17.474 1.00 20.07 C ATOM 1368 CG MET A 147 13.498 37.455 -16.618 1.00 20.82 C ATOM 1369 SD MET A 147 14.751 38.447 -17.487 1.00 22.24 S ATOM 1370 CE MET A 147 15.597 37.147 -18.415 1.00 19.51 C ATOM 1371 H MET A 147 10.751 38.342 -15.939 1.00 0.00 H ATOM 1372 N ASN A 148 9.302 37.758 -18.831 1.00 21.17 N ATOM 1373 CA ASN A 148 8.296 37.609 -19.905 1.00 21.43 C ATOM 1374 C ASN A 148 8.375 38.663 -20.990 1.00 21.04 C ATOM 1375 O ASN A 148 8.084 38.415 -22.139 1.00 21.28 O ATOM 1376 CB ASN A 148 6.885 37.641 -19.331 1.00 20.65 C ATOM 1377 CG ASN A 148 6.416 36.283 -18.928 1.00 19.92 C ATOM 1378 OD1 ASN A 148 7.196 35.322 -18.887 1.00 19.33 O ATOM 1379 ND2 ASN A 148 5.139 36.178 -18.648 1.00 19.72 N ATOM 1380 HD22 ASN A 148 4.525 37.016 -18.697 1.00 0.00 H ATOM 1381 HD21 ASN A 148 4.740 35.257 -18.377 1.00 0.00 H ATOM 1382 H ASN A 148 8.990 37.763 -17.839 1.00 0.00 H ATOM 1383 N LEU A 149 8.739 39.858 -20.591 1.00 20.45 N ATOM 1384 CA LEU A 149 8.834 40.941 -21.511 1.00 21.32 C ATOM 1385 C LEU A 149 9.973 40.762 -22.531 1.00 22.44 C ATOM 1386 O LEU A 149 9.874 41.284 -23.635 1.00 24.59 O ATOM 1387 CB LEU A 149 9.011 42.229 -20.712 1.00 20.72 C ATOM 1388 CG LEU A 149 7.848 42.400 -19.744 1.00 20.20 C ATOM 1389 CD1 LEU A 149 8.199 43.360 -18.605 1.00 18.61 C ATOM 1390 CD2 LEU A 149 6.598 42.797 -20.537 1.00 19.62 C ATOM 1391 H LEU A 149 8.962 40.017 -19.588 1.00 0.00 H ATOM 1392 N LEU A 150 11.047 40.066 -22.146 1.00 22.49 N ATOM 1393 CA LEU A 150 12.154 39.734 -23.053 1.00 23.70 C ATOM 1394 C LEU A 150 11.749 38.544 -23.952 1.00 24.34 C ATOM 1395 O LEU A 150 10.737 37.905 -23.690 1.00 25.10 O ATOM 1396 CB LEU A 150 13.462 39.492 -22.273 1.00 21.44 C ATOM 1397 CG LEU A 150 13.919 40.715 -21.448 1.00 24.40 C ATOM 1398 CD1 LEU A 150 15.372 40.603 -20.996 1.00 23.47 C ATOM 1399 CD2 LEU A 150 13.731 42.063 -22.171 1.00 24.27 C ATOM 1400 H LEU A 150 11.102 39.744 -21.158 1.00 0.00 H ATOM 1401 N THR A 151 12.491 38.282 -25.030 1.00 22.65 N ATOM 1402 CA THR A 151 12.209 37.118 -25.881 1.00 20.42 C ATOM 1403 C THR A 151 13.531 36.437 -26.132 1.00 20.38 C ATOM 1404 O THR A 151 14.397 36.970 -26.866 1.00 21.67 O ATOM 1405 CB THR A 151 11.555 37.547 -27.205 1.00 20.64 C ATOM 1406 OG1 THR A 151 10.289 38.151 -26.927 1.00 21.25 O ATOM 1407 CG2 THR A 151 11.349 36.374 -28.154 1.00 19.66 C ATOM 1408 HG1 THR A 151 9.864 38.429 -27.777 1.00 0.00 H ATOM 1409 H THR A 151 13.282 38.912 -25.272 1.00 0.00 H ATOM 1410 N GLY A 152 13.727 35.285 -25.499 1.00 19.06 N ATOM 1411 CA GLY A 152 14.966 34.517 -25.691 1.00 19.34 C ATOM 1412 C GLY A 152 15.038 34.053 -27.134 1.00 20.00 C ATOM 1413 O GLY A 152 14.014 33.746 -27.758 1.00 23.50 O ATOM 1414 H GLY A 152 12.993 34.921 -24.858 1.00 0.00 H ATOM 1415 N VAL A 153 16.232 34.053 -27.701 1.00 19.30 N ATOM 1416 CA VAL A 153 16.483 33.319 -28.922 1.00 17.50 C ATOM 1417 C VAL A 153 17.730 32.506 -28.635 1.00 17.57 C ATOM 1418 O VAL A 153 18.535 32.932 -27.802 1.00 18.24 O ATOM 1419 CB VAL A 153 16.690 34.240 -30.154 1.00 18.55 C ATOM 1420 CG1 VAL A 153 15.548 35.256 -30.278 1.00 16.77 C ATOM 1421 CG2 VAL A 153 18.089 34.877 -30.188 1.00 16.80 C ATOM 1422 H VAL A 153 17.006 34.591 -27.261 1.00 0.00 H ATOM 1423 N PRO A 154 17.910 31.350 -29.326 1.00 17.64 N ATOM 1424 CA PRO A 154 18.990 30.429 -28.965 1.00 17.33 C ATOM 1425 C PRO A 154 20.298 31.153 -29.135 1.00 17.41 C ATOM 1426 O PRO A 154 20.481 31.896 -30.133 1.00 16.33 O ATOM 1427 CB PRO A 154 18.898 29.319 -30.028 1.00 16.96 C ATOM 1428 CG PRO A 154 17.538 29.452 -30.584 1.00 17.84 C ATOM 1429 CD PRO A 154 17.281 30.931 -30.588 1.00 17.05 C ATOM 1430 N ASN A 155 21.202 30.934 -28.180 1.00 17.29 N ATOM 1431 CA ASN A 155 22.487 31.594 -28.224 1.00 17.78 C ATOM 1432 C ASN A 155 23.165 31.279 -29.562 1.00 17.90 C ATOM 1433 O ASN A 155 23.820 32.118 -30.127 1.00 18.33 O ATOM 1434 CB ASN A 155 23.331 31.253 -27.000 1.00 16.45 C ATOM 1435 CG ASN A 155 24.808 31.543 -27.223 1.00 17.19 C ATOM 1436 OD1 ASN A 155 25.330 32.594 -26.832 1.00 16.96 O ATOM 1437 ND2 ASN A 155 25.485 30.623 -27.901 1.00 16.85 N ATOM 1438 HD22 ASN A 155 25.010 29.752 -28.212 1.00 0.00 H ATOM 1439 HD21 ASN A 155 26.490 30.774 -28.120 1.00 0.00 H ATOM 1440 H ASN A 155 20.981 30.284 -27.399 1.00 0.00 H ATOM 1441 N GLY A 156 22.937 30.086 -30.097 1.00 20.19 N ATOM 1442 CA GLY A 156 23.541 29.699 -31.379 1.00 22.81 C ATOM 1443 C GLY A 156 23.213 30.651 -32.533 1.00 25.09 C ATOM 1444 O GLY A 156 23.812 30.575 -33.606 1.00 23.45 O ATOM 1445 H GLY A 156 22.320 29.413 -29.600 1.00 0.00 H ATOM 1446 N MET A 157 22.281 31.569 -32.289 1.00 26.43 N ATOM 1447 CA MET A 157 21.762 32.434 -33.324 1.00 27.18 C ATOM 1448 C MET A 157 22.180 33.890 -33.132 1.00 28.22 C ATOM 1449 O MET A 157 21.865 34.732 -33.969 1.00 28.56 O ATOM 1450 CB MET A 157 20.249 32.323 -33.365 1.00 26.15 C ATOM 1451 CG MET A 157 19.752 30.998 -33.876 1.00 26.21 C ATOM 1452 SD MET A 157 17.953 31.011 -34.023 1.00 29.75 S ATOM 1453 CE MET A 157 17.656 29.303 -34.525 1.00 28.24 C ATOM 1454 H MET A 157 21.914 31.667 -31.321 1.00 0.00 H ATOM 1455 N LEU A 158 22.923 34.168 -32.056 1.00 28.29 N ATOM 1456 CA LEU A 158 23.429 35.527 -31.732 1.00 25.32 C ATOM 1457 C LEU A 158 23.797 36.463 -32.885 1.00 24.16 C ATOM 1458 O LEU A 158 23.484 37.663 -32.854 1.00 24.13 O ATOM 1459 CB LEU A 158 24.630 35.437 -30.776 1.00 22.72 C ATOM 1460 CG LEU A 158 25.139 36.816 -30.320 1.00 21.22 C ATOM 1461 CD1 LEU A 158 24.051 37.549 -29.549 1.00 19.06 C ATOM 1462 CD2 LEU A 158 26.452 36.762 -29.565 1.00 20.26 C ATOM 1463 H LEU A 158 23.160 33.389 -31.409 1.00 0.00 H ATOM 1464 N GLN A 159 24.498 35.915 -33.871 1.00 26.19 N ATOM 1465 CA GLN A 159 25.058 36.683 -34.985 1.00 26.02 C ATOM 1466 C GLN A 159 24.206 36.648 -36.261 1.00 24.96 C ATOM 1467 O GLN A 159 24.635 37.188 -37.261 1.00 22.56 O ATOM 1468 CB GLN A 159 26.474 36.163 -35.316 1.00 30.24 C ATOM 1469 CG GLN A 159 27.531 36.270 -34.202 1.00 33.11 C ATOM 1470 CD GLN A 159 27.941 37.716 -33.871 1.00 38.35 C ATOM 1471 OE1 GLN A 159 28.351 38.011 -32.726 1.00 41.08 O ATOM 1472 NE2 GLN A 159 27.839 38.627 -34.865 1.00 35.58 N ATOM 1473 HE22 GLN A 159 27.493 38.338 -35.802 1.00 0.00 H ATOM 1474 HE21 GLN A 159 28.107 39.617 -34.692 1.00 0.00 H ATOM 1475 H GLN A 159 24.657 34.887 -33.851 1.00 0.00 H ATOM 1476 N SER A 160 23.022 36.018 -36.235 1.00 25.51 N ATOM 1477 CA SER A 160 22.171 35.850 -37.450 1.00 26.04 C ATOM 1478 C SER A 160 21.216 37.017 -37.703 1.00 26.11 C ATOM 1479 O SER A 160 20.591 37.521 -36.757 1.00 25.04 O ATOM 1480 CB SER A 160 21.334 34.576 -37.382 1.00 26.41 C ATOM 1481 OG SER A 160 20.594 34.508 -36.189 1.00 29.41 O ATOM 1482 HG SER A 160 21.213 34.518 -35.417 1.00 0.00 H ATOM 1483 H SER A 160 22.683 35.631 -35.331 1.00 0.00 H ATOM 1484 N PRO A 161 21.089 37.432 -38.979 1.00 25.38 N ATOM 1485 CA PRO A 161 20.221 38.577 -39.321 1.00 25.93 C ATOM 1486 C PRO A 161 18.713 38.378 -39.024 1.00 25.59 C ATOM 1487 O PRO A 161 17.991 39.372 -38.964 1.00 28.35 O ATOM 1488 CB PRO A 161 20.488 38.842 -40.822 1.00 24.52 C ATOM 1489 CG PRO A 161 21.344 37.708 -41.301 1.00 25.45 C ATOM 1490 CD PRO A 161 21.750 36.829 -40.155 1.00 25.01 C ATOM 1491 N GLN A 162 18.266 37.137 -38.801 1.00 25.30 N ATOM 1492 CA GLN A 162 16.852 36.798 -38.541 1.00 24.47 C ATOM 1493 C GLN A 162 16.379 37.213 -37.203 1.00 25.46 C ATOM 1494 O GLN A 162 15.168 37.323 -36.994 1.00 28.16 O ATOM 1495 CB GLN A 162 16.608 35.292 -38.564 1.00 26.46 C ATOM 1496 CG GLN A 162 16.627 34.679 -39.945 1.00 29.87 C ATOM 1497 CD GLN A 162 17.969 34.873 -40.593 1.00 32.01 C ATOM 1498 OE1 GLN A 162 19.032 34.643 -39.955 1.00 33.91 O ATOM 1499 NE2 GLN A 162 17.954 35.344 -41.846 1.00 32.04 N ATOM 1500 HE22 GLN A 162 17.048 35.516 -42.326 1.00 0.00 H ATOM 1501 HE21 GLN A 162 18.849 35.538 -42.339 1.00 0.00 H ATOM 1502 H GLN A 162 18.958 36.361 -38.811 1.00 0.00 H ATOM 1503 N VAL A 163 17.311 37.354 -36.264 1.00 23.68 N ATOM 1504 CA VAL A 163 16.963 37.611 -34.874 1.00 21.70 C ATOM 1505 C VAL A 163 17.436 39.018 -34.449 1.00 21.67 C ATOM 1506 O VAL A 163 17.291 39.413 -33.293 1.00 22.18 O ATOM 1507 CB VAL A 163 17.435 36.430 -33.926 1.00 22.44 C ATOM 1508 CG1 VAL A 163 17.175 35.078 -34.589 1.00 22.12 C ATOM 1509 CG2 VAL A 163 18.918 36.523 -33.537 1.00 21.59 C ATOM 1510 H VAL A 163 18.314 37.279 -36.530 1.00 0.00 H ATOM 1511 N LEU A 164 18.001 39.793 -35.367 1.00 20.18 N ATOM 1512 CA LEU A 164 18.336 41.164 -34.998 1.00 20.01 C ATOM 1513 C LEU A 164 17.116 41.982 -34.562 1.00 18.38 C ATOM 1514 O LEU A 164 17.181 42.675 -33.560 1.00 18.48 O ATOM 1515 CB LEU A 164 19.154 41.881 -36.094 1.00 22.12 C ATOM 1516 CG LEU A 164 20.711 41.762 -36.090 1.00 22.28 C ATOM 1517 CD1 LEU A 164 21.351 41.777 -37.493 1.00 21.29 C ATOM 1518 CD2 LEU A 164 21.332 42.834 -35.188 1.00 21.28 C ATOM 1519 H LEU A 164 18.199 39.433 -36.322 1.00 0.00 H ATOM 1520 N PRO A 165 15.989 41.919 -35.311 1.00 17.91 N ATOM 1521 CA PRO A 165 14.812 42.682 -34.871 1.00 16.18 C ATOM 1522 C PRO A 165 14.493 42.322 -33.449 1.00 15.68 C ATOM 1523 O PRO A 165 14.293 43.210 -32.619 1.00 14.63 O ATOM 1524 CB PRO A 165 13.716 42.129 -35.748 1.00 15.63 C ATOM 1525 CG PRO A 165 14.421 41.893 -37.025 1.00 16.11 C ATOM 1526 CD PRO A 165 15.742 41.294 -36.621 1.00 16.97 C ATOM 1527 N THR A 166 14.513 41.012 -33.185 1.00 15.03 N ATOM 1528 CA THR A 166 14.162 40.439 -31.903 1.00 16.07 C ATOM 1529 C THR A 166 15.073 40.938 -30.740 1.00 16.20 C ATOM 1530 O THR A 166 14.579 41.385 -29.677 1.00 15.41 O ATOM 1531 CB THR A 166 14.058 38.888 -31.982 1.00 17.37 C ATOM 1532 OG1 THR A 166 13.024 38.515 -32.922 1.00 19.16 O ATOM 1533 CG2 THR A 166 13.694 38.294 -30.624 1.00 17.35 C ATOM 1534 HG1 THR A 166 13.247 38.875 -33.817 1.00 0.00 H ATOM 1535 H THR A 166 14.798 40.365 -33.947 1.00 0.00 H ATOM 1536 N LEU A 167 16.380 40.931 -30.943 1.00 15.67 N ATOM 1537 CA LEU A 167 17.258 41.419 -29.891 1.00 15.97 C ATOM 1538 C LEU A 167 17.132 42.954 -29.746 1.00 16.91 C ATOM 1539 O LEU A 167 17.373 43.474 -28.658 1.00 17.14 O ATOM 1540 CB LEU A 167 18.699 40.931 -30.080 1.00 15.09 C ATOM 1541 CG LEU A 167 18.864 39.391 -30.267 1.00 14.90 C ATOM 1542 CD1 LEU A 167 20.223 39.040 -30.827 1.00 13.55 C ATOM 1543 CD2 LEU A 167 18.606 38.574 -28.993 1.00 14.74 C ATOM 1544 H LEU A 167 16.774 40.582 -31.840 1.00 0.00 H ATOM 1545 N ARG A 168 16.702 43.659 -30.808 1.00 16.79 N ATOM 1546 CA ARG A 168 16.487 45.107 -30.719 1.00 16.46 C ATOM 1547 C ARG A 168 15.214 45.411 -29.950 1.00 17.28 C ATOM 1548 O ARG A 168 15.244 46.179 -28.990 1.00 17.55 O ATOM 1549 CB ARG A 168 16.498 45.818 -32.078 1.00 14.35 C ATOM 1550 CG ARG A 168 16.315 47.316 -31.924 1.00 13.36 C ATOM 1551 CD ARG A 168 16.073 48.084 -33.227 1.00 13.02 C ATOM 1552 NE ARG A 168 17.296 48.021 -33.994 1.00 12.11 N ATOM 1553 CZ ARG A 168 18.301 48.889 -33.911 1.00 11.77 C ATOM 1554 NH1 ARG A 168 19.377 48.660 -34.645 1.00 11.65 N ATOM 1555 NH2 ARG A 168 18.244 49.974 -33.130 1.00 10.77 N ATOM 1556 HE ARG A 168 17.399 47.233 -34.665 1.00 0.00 H ATOM 1557 HH12 ARG A 168 20.182 49.317 -34.606 1.00 0.00 H ATOM 1558 HH11 ARG A 168 19.418 47.823 -35.261 1.00 0.00 H ATOM 1559 HH22 ARG A 168 19.050 50.630 -33.091 1.00 0.00 H ATOM 1560 HH21 ARG A 168 17.394 50.161 -32.562 1.00 0.00 H ATOM 1561 H ARG A 168 16.519 43.169 -31.707 1.00 0.00 H ATOM 1562 N ARG A 169 14.101 44.811 -30.360 1.00 19.54 N ATOM 1563 CA ARG A 169 12.833 44.855 -29.607 1.00 21.85 C ATOM 1564 C ARG A 169 13.135 44.607 -28.070 1.00 22.15 C ATOM 1565 O ARG A 169 12.609 45.296 -27.150 1.00 21.42 O ATOM 1566 CB ARG A 169 11.878 43.786 -30.206 1.00 25.39 C ATOM 1567 CG ARG A 169 10.366 43.829 -29.878 1.00 27.95 C ATOM 1568 CD ARG A 169 9.773 42.410 -29.661 1.00 31.65 C ATOM 1569 NE ARG A 169 9.994 41.501 -30.812 1.00 33.93 N ATOM 1570 CZ ARG A 169 10.155 40.165 -30.768 1.00 34.60 C ATOM 1571 NH1 ARG A 169 10.119 39.488 -29.612 1.00 33.21 N ATOM 1572 NH2 ARG A 169 10.377 39.492 -31.912 1.00 35.58 N ATOM 1573 HE ARG A 169 10.028 41.943 -31.753 1.00 0.00 H ATOM 1574 HH12 ARG A 169 10.247 38.456 -29.610 1.00 0.00 H ATOM 1575 HH11 ARG A 169 9.963 39.995 -28.717 1.00 0.00 H ATOM 1576 HH22 ARG A 169 10.503 38.460 -31.892 1.00 0.00 H ATOM 1577 HH21 ARG A 169 10.422 40.004 -32.816 1.00 0.00 H ATOM 1578 H ARG A 169 14.125 44.284 -31.256 1.00 0.00 H ATOM 1579 N ASN A 170 14.025 43.650 -27.813 1.00 21.65 N ATOM 1580 CA ASN A 170 14.424 43.300 -26.442 1.00 21.21 C ATOM 1581 C ASN A 170 15.030 44.506 -25.732 1.00 21.01 C ATOM 1582 O ASN A 170 14.653 44.798 -24.601 1.00 21.05 O ATOM 1583 CB ASN A 170 15.391 42.132 -26.427 1.00 19.55 C ATOM 1584 CG ASN A 170 14.700 40.777 -26.615 1.00 20.13 C ATOM 1585 OD1 ASN A 170 13.479 40.616 -26.401 1.00 19.90 O ATOM 1586 ND2 ASN A 170 15.500 39.781 -26.944 1.00 17.42 N ATOM 1587 HD22 ASN A 170 16.510 39.960 -27.113 1.00 0.00 H ATOM 1588 HD21 ASN A 170 15.120 38.817 -27.034 1.00 0.00 H ATOM 1589 H ASN A 170 14.452 43.133 -28.608 1.00 0.00 H ATOM 1590 N GLN A 171 15.926 45.218 -26.416 1.00 18.86 N ATOM 1591 CA GLN A 171 16.539 46.423 -25.860 1.00 18.80 C ATOM 1592 C GLN A 171 15.499 47.549 -25.581 1.00 18.14 C ATOM 1593 O GLN A 171 15.439 48.118 -24.477 1.00 20.48 O ATOM 1594 CB GLN A 171 17.696 46.899 -26.773 1.00 17.64 C ATOM 1595 CG GLN A 171 18.511 48.031 -26.204 1.00 17.25 C ATOM 1596 CD GLN A 171 20.011 47.785 -26.320 1.00 17.55 C ATOM 1597 OE1 GLN A 171 20.820 48.696 -26.108 1.00 17.30 O ATOM 1598 NE2 GLN A 171 20.386 46.568 -26.626 1.00 14.87 N ATOM 1599 HE22 GLN A 171 19.672 45.831 -26.797 1.00 0.00 H ATOM 1600 HE21 GLN A 171 21.398 46.338 -26.698 1.00 0.00 H ATOM 1601 H GLN A 171 16.196 44.908 -27.371 1.00 0.00 H ATOM 1602 N GLU A 172 14.661 47.838 -26.555 1.00 16.94 N ATOM 1603 CA GLU A 172 13.645 48.880 -26.403 1.00 17.33 C ATOM 1604 C GLU A 172 12.773 48.681 -25.172 1.00 17.42 C ATOM 1605 O GLU A 172 12.438 49.657 -24.469 1.00 19.78 O ATOM 1606 CB GLU A 172 12.792 49.028 -27.674 1.00 15.46 C ATOM 1607 CG GLU A 172 13.592 49.580 -28.854 1.00 14.73 C ATOM 1608 CD GLU A 172 12.939 49.302 -30.189 1.00 14.70 C ATOM 1609 OE1 GLU A 172 13.680 48.961 -31.130 1.00 14.41 O ATOM 1610 OE2 GLU A 172 11.681 49.400 -30.286 1.00 13.68 O ATOM 1611 H GLU A 172 14.723 47.314 -27.451 1.00 0.00 H ATOM 1612 N LYS A 173 12.407 47.435 -24.928 1.00 18.03 N ATOM 1613 CA LYS A 173 11.544 47.067 -23.801 1.00 19.20 C ATOM 1614 C LYS A 173 12.294 47.124 -22.495 1.00 19.62 C ATOM 1615 O LYS A 173 11.713 47.525 -21.456 1.00 20.20 O ATOM 1616 CB LYS A 173 10.966 45.666 -23.987 1.00 19.03 C ATOM 1617 CG LYS A 173 9.964 45.575 -25.122 1.00 19.20 C ATOM 1618 CD LYS A 173 9.225 44.240 -25.124 1.00 19.65 C ATOM 1619 CE LYS A 173 7.898 44.296 -24.362 1.00 19.80 C ATOM 1620 NZ LYS A 173 7.310 42.931 -24.157 1.00 20.08 N ATOM 1621 HZ1 LYS A 173 7.136 42.487 -25.081 1.00 0.00 H ATOM 1622 HZ2 LYS A 173 7.975 42.347 -23.611 1.00 0.00 H ATOM 1623 HZ3 LYS A 173 6.413 43.016 -23.637 1.00 0.00 H ATOM 1624 H LYS A 173 12.745 46.683 -25.562 1.00 0.00 H ATOM 1625 N LEU A 174 13.577 46.724 -22.548 1.00 18.67 N ATOM 1626 CA LEU A 174 14.471 46.821 -21.385 1.00 18.58 C ATOM 1627 C LEU A 174 14.501 48.246 -20.921 1.00 18.71 C ATOM 1628 O LEU A 174 14.349 48.533 -19.751 1.00 18.20 O ATOM 1629 CB LEU A 174 15.878 46.344 -21.731 1.00 17.76 C ATOM 1630 CG LEU A 174 17.135 46.833 -20.990 1.00 17.21 C ATOM 1631 CD1 LEU A 174 17.383 46.133 -19.680 1.00 16.25 C ATOM 1632 CD2 LEU A 174 18.343 46.640 -21.923 1.00 17.25 C ATOM 1633 H LEU A 174 13.948 46.334 -23.438 1.00 0.00 H ATOM 1634 N TYR A 175 14.696 49.139 -21.880 1.00 21.02 N ATOM 1635 CA TYR A 175 14.713 50.543 -21.600 1.00 21.43 C ATOM 1636 C TYR A 175 13.358 50.900 -20.982 1.00 20.91 C ATOM 1637 O TYR A 175 13.324 51.568 -19.943 1.00 21.08 O ATOM 1638 CB TYR A 175 15.063 51.355 -22.872 1.00 22.28 C ATOM 1639 CG TYR A 175 16.535 51.275 -23.370 1.00 21.99 C ATOM 1640 CD1 TYR A 175 16.849 51.476 -24.730 1.00 21.95 C ATOM 1641 CD2 TYR A 175 17.584 50.997 -22.498 1.00 21.63 C ATOM 1642 CE1 TYR A 175 18.157 51.428 -25.192 1.00 21.61 C ATOM 1643 CE2 TYR A 175 18.898 50.924 -22.928 1.00 21.82 C ATOM 1644 CZ TYR A 175 19.212 51.144 -24.279 1.00 25.72 C ATOM 1645 OH TYR A 175 20.576 51.110 -24.713 1.00 22.20 O ATOM 1646 HH TYR A 175 21.092 51.804 -24.231 1.00 0.00 H ATOM 1647 H TYR A 175 14.840 48.813 -22.857 1.00 0.00 H ATOM 1648 N ARG A 176 12.251 50.420 -21.557 1.00 22.07 N ATOM 1649 CA ARG A 176 10.926 50.728 -20.969 1.00 23.08 C ATOM 1650 C ARG A 176 10.840 50.255 -19.535 1.00 23.17 C ATOM 1651 O ARG A 176 10.440 51.006 -18.654 1.00 23.69 O ATOM 1652 CB ARG A 176 9.773 50.117 -21.737 1.00 25.97 C ATOM 1653 CG ARG A 176 9.098 51.055 -22.732 1.00 29.57 C ATOM 1654 CD ARG A 176 7.737 50.505 -23.098 1.00 30.09 C ATOM 1655 NE ARG A 176 6.748 50.944 -22.113 1.00 34.78 N ATOM 1656 CZ ARG A 176 5.644 51.637 -22.415 1.00 33.73 C ATOM 1657 NH1 ARG A 176 5.380 51.936 -23.687 1.00 32.22 N ATOM 1658 NH2 ARG A 176 4.790 52.010 -21.461 1.00 28.34 N ATOM 1659 HE ARG A 176 6.914 50.702 -21.115 1.00 0.00 H ATOM 1660 HH12 ARG A 176 4.523 52.474 -23.928 1.00 0.00 H ATOM 1661 HH11 ARG A 176 6.031 51.631 -24.439 1.00 0.00 H ATOM 1662 HH22 ARG A 176 3.936 52.548 -21.709 1.00 0.00 H ATOM 1663 HH21 ARG A 176 4.978 51.763 -20.469 1.00 0.00 H ATOM 1664 H ARG A 176 12.319 49.833 -22.413 1.00 0.00 H ATOM 1665 N PHE A 177 11.216 49.006 -19.297 1.00 21.70 N ATOM 1666 CA PHE A 177 11.257 48.496 -17.952 1.00 21.19 C ATOM 1667 C PHE A 177 11.930 49.482 -16.991 1.00 21.70 C ATOM 1668 O PHE A 177 11.289 50.028 -16.111 1.00 19.14 O ATOM 1669 CB PHE A 177 12.011 47.169 -17.909 1.00 20.77 C ATOM 1670 CG PHE A 177 11.771 46.402 -16.649 1.00 19.88 C ATOM 1671 CD1 PHE A 177 10.522 45.788 -16.423 1.00 19.04 C ATOM 1672 CD2 PHE A 177 12.750 46.347 -15.660 1.00 19.05 C ATOM 1673 CE1 PHE A 177 10.277 45.113 -15.242 1.00 18.87 C ATOM 1674 CE2 PHE A 177 12.514 45.661 -14.479 1.00 18.68 C ATOM 1675 CZ PHE A 177 11.280 45.046 -14.275 1.00 18.88 C ATOM 1676 H PHE A 177 11.484 48.389 -20.090 1.00 0.00 H ATOM 1677 N LEU A 178 13.233 49.675 -17.187 1.00 22.53 N ATOM 1678 CA LEU A 178 14.063 50.533 -16.362 1.00 21.70 C ATOM 1679 C LEU A 178 13.478 51.938 -16.261 1.00 23.62 C ATOM 1680 O LEU A 178 13.563 52.587 -15.186 1.00 23.79 O ATOM 1681 CB LEU A 178 15.485 50.559 -16.936 1.00 21.31 C ATOM 1682 CG LEU A 178 16.200 49.191 -17.003 1.00 20.95 C ATOM 1683 CD1 LEU A 178 17.639 49.316 -17.500 1.00 21.05 C ATOM 1684 CD2 LEU A 178 16.205 48.517 -15.651 1.00 19.22 C ATOM 1685 H LEU A 178 13.684 49.179 -17.982 1.00 0.00 H ATOM 1686 N ALA A 179 12.868 52.403 -17.363 1.00 24.69 N ATOM 1687 CA ALA A 179 12.089 53.673 -17.368 1.00 25.20 C ATOM 1688 C ALA A 179 10.961 53.644 -16.352 1.00 25.26 C ATOM 1689 O ALA A 179 10.874 54.518 -15.509 1.00 27.45 O ATOM 1690 CB ALA A 179 11.537 53.996 -18.746 1.00 22.79 C ATOM 1691 H ALA A 179 12.942 51.857 -18.245 1.00 0.00 H ATOM 1692 N HIS A 180 10.126 52.616 -16.437 1.00 26.88 N ATOM 1693 CA HIS A 180 9.034 52.394 -15.519 1.00 28.68 C ATOM 1694 C HIS A 180 9.466 52.115 -14.092 1.00 29.97 C ATOM 1695 O HIS A 180 8.752 52.487 -13.165 1.00 32.27 O ATOM 1696 CB HIS A 180 8.191 51.214 -15.977 1.00 30.14 C ATOM 1697 CG HIS A 180 7.058 51.589 -16.877 1.00 33.73 C ATOM 1698 ND1 HIS A 180 6.931 51.097 -18.163 1.00 34.61 N ATOM 1699 CD2 HIS A 180 5.980 52.383 -16.671 1.00 36.64 C ATOM 1700 CE1 HIS A 180 5.834 51.582 -18.715 1.00 34.66 C ATOM 1701 NE2 HIS A 180 5.231 52.356 -17.828 1.00 39.82 N ATOM 1702 H HIS A 180 10.266 51.932 -17.208 1.00 0.00 H ATOM 1703 N HIS A 181 10.613 51.468 -13.896 1.00 30.56 N ATOM 1704 CA HIS A 181 10.962 50.961 -12.560 1.00 28.41 C ATOM 1705 C HIS A 181 12.068 51.665 -11.790 1.00 27.17 C ATOM 1706 O HIS A 181 12.173 51.437 -10.598 1.00 26.53 O ATOM 1707 CB HIS A 181 11.253 49.472 -12.625 1.00 28.53 C ATOM 1708 CG HIS A 181 10.021 48.640 -12.809 1.00 31.08 C ATOM 1709 ND1 HIS A 181 9.319 48.602 -13.997 1.00 33.35 N ATOM 1710 CD2 HIS A 181 9.348 47.833 -11.953 1.00 30.55 C ATOM 1711 CE1 HIS A 181 8.278 47.795 -13.870 1.00 31.63 C ATOM 1712 NE2 HIS A 181 8.270 47.323 -12.636 1.00 30.63 N ATOM 1713 H HIS A 181 11.266 51.320 -14.692 1.00 0.00 H ATOM 1714 N SER A 182 12.868 52.528 -12.444 1.00 26.59 N ATOM 1715 CA SER A 182 14.116 53.066 -11.833 1.00 23.89 C ATOM 1716 C SER A 182 14.339 54.585 -11.915 1.00 24.59 C ATOM 1717 O SER A 182 14.779 55.109 -12.964 1.00 20.94 O ATOM 1718 CB SER A 182 15.359 52.353 -12.388 1.00 22.25 C ATOM 1719 OG SER A 182 16.540 52.886 -11.819 1.00 21.30 O ATOM 1720 HG SER A 182 16.515 52.766 -10.837 1.00 0.00 H ATOM 1721 H SER A 182 12.607 52.828 -13.405 1.00 0.00 H ATOM 1722 N PRO A 183 14.087 55.286 -10.789 1.00 23.55 N ATOM 1723 CA PRO A 183 14.344 56.720 -10.723 1.00 23.29 C ATOM 1724 C PRO A 183 15.738 57.084 -11.275 1.00 24.26 C ATOM 1725 O PRO A 183 15.842 58.008 -12.103 1.00 24.53 O ATOM 1726 CB PRO A 183 14.222 57.052 -9.235 1.00 23.53 C ATOM 1727 CG PRO A 183 13.820 55.794 -8.542 1.00 24.07 C ATOM 1728 CD PRO A 183 13.487 54.754 -9.557 1.00 23.67 C ATOM 1729 N TYR A 184 16.790 56.366 -10.869 1.00 22.81 N ATOM 1730 CA TYR A 184 18.112 56.596 -11.463 1.00 24.73 C ATOM 1731 C TYR A 184 18.204 56.384 -13.006 1.00 25.48 C ATOM 1732 O TYR A 184 18.991 57.039 -13.683 1.00 25.57 O ATOM 1733 CB TYR A 184 19.208 55.812 -10.741 1.00 27.05 C ATOM 1734 CG TYR A 184 20.621 56.132 -11.229 1.00 28.00 C ATOM 1735 CD1 TYR A 184 21.485 56.919 -10.459 1.00 28.90 C ATOM 1736 CD2 TYR A 184 21.090 55.636 -12.454 1.00 28.50 C ATOM 1737 CE1 TYR A 184 22.773 57.194 -10.891 1.00 29.05 C ATOM 1738 CE2 TYR A 184 22.375 55.907 -12.898 1.00 27.90 C ATOM 1739 CZ TYR A 184 23.203 56.682 -12.120 1.00 28.84 C ATOM 1740 OH TYR A 184 24.462 56.941 -12.563 1.00 28.76 O ATOM 1741 HH TYR A 184 24.934 57.506 -11.901 1.00 0.00 H ATOM 1742 H TYR A 184 16.671 55.643 -10.131 1.00 0.00 H ATOM 1743 N PHE A 185 17.396 55.495 -13.566 1.00 25.91 N ATOM 1744 CA PHE A 185 17.336 55.439 -15.010 1.00 26.90 C ATOM 1745 C PHE A 185 16.774 56.756 -15.550 1.00 28.65 C ATOM 1746 O PHE A 185 17.499 57.500 -16.205 1.00 31.07 O ATOM 1747 CB PHE A 185 16.576 54.193 -15.512 1.00 27.40 C ATOM 1748 CG PHE A 185 16.921 53.814 -16.919 1.00 26.73 C ATOM 1749 CD1 PHE A 185 18.206 53.311 -17.229 1.00 26.98 C ATOM 1750 CD2 PHE A 185 15.995 53.976 -17.949 1.00 25.02 C ATOM 1751 CE1 PHE A 185 18.551 52.981 -18.527 1.00 22.94 C ATOM 1752 CE2 PHE A 185 16.341 53.659 -19.253 1.00 23.11 C ATOM 1753 CZ PHE A 185 17.616 53.151 -19.532 1.00 23.95 C ATOM 1754 H PHE A 185 16.820 54.855 -12.983 1.00 0.00 H ATOM 1755 N ARG A 186 15.513 57.072 -15.222 1.00 28.02 N ATOM 1756 CA ARG A 186 14.817 58.263 -15.743 1.00 25.69 C ATOM 1757 C ARG A 186 15.630 59.548 -15.607 1.00 27.15 C ATOM 1758 O ARG A 186 15.523 60.435 -16.463 1.00 27.01 O ATOM 1759 CB ARG A 186 13.439 58.479 -15.086 1.00 23.91 C ATOM 1760 CG ARG A 186 12.523 57.278 -15.024 1.00 23.51 C ATOM 1761 CD ARG A 186 11.145 57.644 -14.492 1.00 23.61 C ATOM 1762 NE ARG A 186 11.112 57.818 -13.032 1.00 24.27 N ATOM 1763 CZ ARG A 186 10.935 56.834 -12.131 1.00 23.65 C ATOM 1764 NH1 ARG A 186 10.812 55.561 -12.518 1.00 23.15 N ATOM 1765 NH2 ARG A 186 10.881 57.125 -10.840 1.00 20.63 N ATOM 1766 HE ARG A 186 11.236 58.783 -12.665 1.00 0.00 H ATOM 1767 HH12 ARG A 186 10.676 54.813 -11.809 1.00 0.00 H ATOM 1768 HH11 ARG A 186 10.853 55.318 -13.529 1.00 0.00 H ATOM 1769 HH22 ARG A 186 10.744 56.367 -10.141 1.00 0.00 H ATOM 1770 HH21 ARG A 186 10.975 58.112 -10.525 1.00 0.00 H ATOM 1771 H ARG A 186 15.001 56.446 -14.568 1.00 0.00 H ATOM 1772 N SER A 187 16.413 59.661 -14.530 1.00 28.32 N ATOM 1773 CA SER A 187 17.252 60.847 -14.340 1.00 28.46 C ATOM 1774 C SER A 187 18.443 60.887 -15.315 1.00 27.68 C ATOM 1775 O SER A 187 18.888 61.977 -15.661 1.00 27.41 O ATOM 1776 CB SER A 187 17.694 61.064 -12.879 1.00 27.87 C ATOM 1777 OG SER A 187 18.081 59.858 -12.216 1.00 32.62 O ATOM 1778 HG SER A 187 17.317 59.229 -12.205 1.00 0.00 H ATOM 1779 H SER A 187 16.427 58.901 -13.821 1.00 0.00 H ATOM 1780 N HIS A 188 18.922 59.722 -15.773 1.00 25.99 N ATOM 1781 CA HIS A 188 20.066 59.652 -16.759 1.00 25.48 C ATOM 1782 C HIS A 188 19.777 58.797 -17.972 1.00 22.89 C ATOM 1783 O HIS A 188 20.683 58.264 -18.576 1.00 23.53 O ATOM 1784 CB HIS A 188 21.372 59.171 -16.103 1.00 24.32 C ATOM 1785 CG HIS A 188 21.599 59.759 -14.752 1.00 23.78 C ATOM 1786 ND1 HIS A 188 21.129 59.166 -13.603 1.00 23.43 N ATOM 1787 CD2 HIS A 188 22.169 60.927 -14.372 1.00 23.14 C ATOM 1788 CE1 HIS A 188 21.430 59.929 -12.564 1.00 23.61 C ATOM 1789 NE2 HIS A 188 22.071 60.998 -13.002 1.00 22.40 N ATOM 1790 H HIS A 188 18.492 58.836 -15.439 1.00 0.00 H ATOM 1791 N ARG A 189 18.501 58.696 -18.316 1.00 21.98 N ATOM 1792 CA ARG A 189 18.053 58.000 -19.498 1.00 20.07 C ATOM 1793 C ARG A 189 18.887 58.298 -20.730 1.00 20.57 C ATOM 1794 O ARG A 189 19.579 57.415 -21.262 1.00 20.91 O ATOM 1795 CB ARG A 189 16.593 58.305 -19.777 1.00 17.92 C ATOM 1796 CG ARG A 189 15.874 57.056 -20.198 1.00 16.60 C ATOM 1797 CD ARG A 189 14.499 57.289 -20.735 1.00 15.52 C ATOM 1798 NE ARG A 189 14.208 56.097 -21.504 1.00 15.77 N ATOM 1799 CZ ARG A 189 13.009 55.588 -21.775 1.00 16.45 C ATOM 1800 NH1 ARG A 189 11.862 56.171 -21.390 1.00 15.50 N ATOM 1801 NH2 ARG A 189 12.966 54.482 -22.507 1.00 16.94 N ATOM 1802 HE ARG A 189 15.027 55.582 -21.887 1.00 0.00 H ATOM 1803 HH12 ARG A 189 10.950 55.731 -21.628 1.00 0.00 H ATOM 1804 HH11 ARG A 189 11.886 57.062 -20.854 1.00 0.00 H ATOM 1805 HH22 ARG A 189 12.050 54.050 -22.743 1.00 0.00 H ATOM 1806 HH21 ARG A 189 13.848 54.047 -22.845 1.00 0.00 H ATOM 1807 H ARG A 189 17.787 59.140 -17.704 1.00 0.00 H ATOM 1808 N ALA A 190 18.810 59.534 -21.197 1.00 21.28 N ATOM 1809 CA ALA A 190 19.428 59.864 -22.487 1.00 21.18 C ATOM 1810 C ALA A 190 20.842 59.331 -22.531 1.00 20.94 C ATOM 1811 O ALA A 190 21.254 58.768 -23.559 1.00 19.85 O ATOM 1812 CB ALA A 190 19.433 61.358 -22.722 1.00 19.68 C ATOM 1813 H ALA A 190 18.314 60.268 -20.652 1.00 0.00 H ATOM 1814 N ALA A 191 21.570 59.482 -21.410 1.00 20.26 N ATOM 1815 CA ALA A 191 22.989 59.104 -21.382 1.00 20.60 C ATOM 1816 C ALA A 191 23.186 57.589 -21.417 1.00 20.92 C ATOM 1817 O ALA A 191 23.983 57.094 -22.223 1.00 25.52 O ATOM 1818 CB ALA A 191 23.740 59.722 -20.206 1.00 18.86 C ATOM 1819 H ALA A 191 21.124 59.870 -20.555 1.00 0.00 H ATOM 1820 N ILE A 192 22.479 56.864 -20.556 1.00 19.05 N ATOM 1821 CA ILE A 192 22.635 55.434 -20.448 1.00 16.74 C ATOM 1822 C ILE A 192 22.238 54.815 -21.763 1.00 17.91 C ATOM 1823 O ILE A 192 22.872 53.877 -22.249 1.00 17.53 O ATOM 1824 CB ILE A 192 21.790 54.818 -19.310 1.00 15.85 C ATOM 1825 CG1 ILE A 192 22.060 55.534 -17.968 1.00 14.80 C ATOM 1826 CG2 ILE A 192 22.081 53.317 -19.205 1.00 14.27 C ATOM 1827 CD1 ILE A 192 20.952 55.383 -16.936 1.00 14.74 C ATOM 1828 H ILE A 192 21.791 57.343 -19.940 1.00 0.00 H ATOM 1829 N GLU A 193 21.206 55.341 -22.380 1.00 19.64 N ATOM 1830 CA GLU A 193 20.806 54.764 -23.648 1.00 21.13 C ATOM 1831 C GLU A 193 21.843 54.972 -24.737 1.00 21.82 C ATOM 1832 O GLU A 193 21.968 54.110 -25.633 1.00 21.33 O ATOM 1833 CB GLU A 193 19.448 55.287 -24.093 1.00 21.89 C ATOM 1834 CG GLU A 193 18.305 54.624 -23.369 1.00 22.38 C ATOM 1835 CD GLU A 193 17.001 55.265 -23.719 1.00 23.13 C ATOM 1836 OE1 GLU A 193 16.997 56.087 -24.658 1.00 24.48 O ATOM 1837 OE2 GLU A 193 15.985 54.955 -23.066 1.00 24.36 O ATOM 1838 H GLU A 193 20.691 56.147 -21.972 1.00 0.00 H ATOM 1839 N HIS A 194 22.568 56.096 -24.674 1.00 22.10 N ATOM 1840 CA HIS A 194 23.665 56.347 -25.636 1.00 24.31 C ATOM 1841 C HIS A 194 24.836 55.432 -25.298 1.00 22.62 C ATOM 1842 O HIS A 194 25.308 54.721 -26.167 1.00 25.28 O ATOM 1843 CB HIS A 194 24.115 57.835 -25.672 1.00 28.46 C ATOM 1844 CG HIS A 194 25.205 58.146 -26.675 1.00 31.17 C ATOM 1845 ND1 HIS A 194 26.550 57.947 -26.414 1.00 31.62 N ATOM 1846 CD2 HIS A 194 25.142 58.663 -27.932 1.00 30.52 C ATOM 1847 CE1 HIS A 194 27.262 58.321 -27.466 1.00 32.36 C ATOM 1848 NE2 HIS A 194 26.432 58.755 -28.400 1.00 30.99 N ATOM 1849 H HIS A 194 22.358 56.802 -23.940 1.00 0.00 H ATOM 1850 N ALA A 195 25.289 55.421 -24.047 1.00 20.14 N ATOM 1851 CA ALA A 195 26.421 54.557 -23.676 1.00 20.24 C ATOM 1852 C ALA A 195 26.177 52.997 -23.856 1.00 19.93 C ATOM 1853 O ALA A 195 27.120 52.250 -24.134 1.00 18.21 O ATOM 1854 CB ALA A 195 26.922 54.907 -22.280 1.00 18.83 C ATOM 1855 H ALA A 195 24.841 56.025 -23.329 1.00 0.00 H ATOM 1856 N THR A 196 24.915 52.543 -23.762 1.00 18.20 N ATOM 1857 CA THR A 196 24.607 51.103 -23.773 1.00 17.35 C ATOM 1858 C THR A 196 23.970 50.638 -25.101 1.00 17.91 C ATOM 1859 O THR A 196 23.612 49.477 -25.265 1.00 18.93 O ATOM 1860 CB THR A 196 23.700 50.714 -22.588 1.00 16.45 C ATOM 1861 OG1 THR A 196 22.475 51.438 -22.663 1.00 16.10 O ATOM 1862 CG2 THR A 196 24.352 50.994 -21.216 1.00 14.90 C ATOM 1863 HG1 THR A 196 22.664 52.409 -22.627 1.00 0.00 H ATOM 1864 H THR A 196 24.136 53.227 -23.679 1.00 0.00 H ATOM 1865 N ALA A 197 23.892 51.573 -26.043 1.00 18.61 N ATOM 1866 CA ALA A 197 23.177 51.484 -27.334 1.00 17.97 C ATOM 1867 C ALA A 197 23.176 50.125 -28.003 1.00 17.53 C ATOM 1868 O ALA A 197 24.166 49.389 -27.940 1.00 18.50 O ATOM 1869 CB ALA A 197 23.742 52.539 -28.290 1.00 17.68 C ATOM 1870 H ALA A 197 24.389 52.466 -25.850 1.00 0.00 H ATOM 1871 N PHE A 198 22.103 49.826 -28.717 1.00 17.03 N ATOM 1872 CA PHE A 198 21.955 48.505 -29.293 1.00 18.61 C ATOM 1873 C PHE A 198 23.130 48.068 -30.182 1.00 21.22 C ATOM 1874 O PHE A 198 23.472 46.898 -30.244 1.00 22.36 O ATOM 1875 CB PHE A 198 20.609 48.345 -29.979 1.00 16.88 C ATOM 1876 CG PHE A 198 20.421 47.004 -30.617 1.00 16.26 C ATOM 1877 CD1 PHE A 198 20.711 46.808 -31.963 1.00 15.62 C ATOM 1878 CD2 PHE A 198 19.923 45.941 -29.877 1.00 15.79 C ATOM 1879 CE1 PHE A 198 20.495 45.562 -32.548 1.00 16.36 C ATOM 1880 CE2 PHE A 198 19.715 44.708 -30.448 1.00 16.00 C ATOM 1881 CZ PHE A 198 19.995 44.510 -31.788 1.00 16.25 C ATOM 1882 H PHE A 198 21.363 50.542 -28.865 1.00 0.00 H ATOM 1883 N ASP A 199 23.777 49.021 -30.836 1.00 25.63 N ATOM 1884 CA ASP A 199 25.034 48.722 -31.506 1.00 28.34 C ATOM 1885 C ASP A 199 26.157 49.666 -31.087 1.00 29.41 C ATOM 1886 O ASP A 199 26.769 50.278 -31.952 1.00 28.63 O ATOM 1887 CB ASP A 199 24.817 48.818 -32.997 1.00 29.48 C ATOM 1888 CG ASP A 199 23.919 49.939 -33.339 1.00 30.96 C ATOM 1889 OD1 ASP A 199 24.229 51.054 -32.881 1.00 33.83 O ATOM 1890 OD2 ASP A 199 22.888 49.717 -34.023 1.00 32.82 O ATOM 1891 H ASP A 199 23.386 49.984 -30.871 1.00 0.00 H ATOM 1892 N LYS A 200 26.430 49.789 -29.777 1.00 30.95 N ATOM 1893 CA LYS A 200 27.588 50.584 -29.331 1.00 32.57 C ATOM 1894 C LYS A 200 28.920 50.100 -29.930 1.00 34.11 C ATOM 1895 O LYS A 200 29.716 50.933 -30.397 1.00 39.63 O ATOM 1896 CB LYS A 200 27.700 50.699 -27.808 1.00 31.73 C ATOM 1897 CG LYS A 200 28.467 51.931 -27.354 1.00 30.98 C ATOM 1898 CD LYS A 200 27.806 53.202 -27.865 1.00 29.80 C ATOM 1899 CE LYS A 200 28.658 54.424 -27.538 1.00 32.61 C ATOM 1900 NZ LYS A 200 28.815 55.390 -28.690 1.00 29.48 N ATOM 1901 HZ1 LYS A 200 29.269 54.904 -29.489 1.00 0.00 H ATOM 1902 HZ2 LYS A 200 27.878 55.737 -28.980 1.00 0.00 H ATOM 1903 HZ3 LYS A 200 29.405 56.192 -28.390 1.00 0.00 H ATOM 1904 H LYS A 200 25.822 49.321 -29.075 1.00 0.00 H ATOM 1905 N MET A 201 29.151 48.781 -29.965 1.00 30.09 N ATOM 1906 CA MET A 201 30.407 48.241 -30.522 1.00 28.58 C ATOM 1907 C MET A 201 30.783 48.737 -31.949 1.00 27.69 C ATOM 1908 O MET A 201 31.964 48.929 -32.250 1.00 29.32 O ATOM 1909 CB MET A 201 30.451 46.721 -30.396 1.00 28.25 C ATOM 1910 CG MET A 201 30.192 46.210 -28.979 1.00 30.82 C ATOM 1911 SD MET A 201 31.003 47.094 -27.607 1.00 35.25 S ATOM 1912 CE MET A 201 32.469 46.095 -27.305 1.00 35.60 C ATOM 1913 H MET A 201 28.433 48.126 -29.594 1.00 0.00 H ATOM 1914 N LYS A 202 29.792 48.977 -32.804 1.00 27.78 N ATOM 1915 CA LYS A 202 30.043 49.541 -34.146 1.00 31.57 C ATOM 1916 C LYS A 202 30.496 51.008 -34.114 1.00 31.87 C ATOM 1917 O LYS A 202 31.080 51.496 -35.088 1.00 28.41 O ATOM 1918 CB LYS A 202 28.788 49.462 -35.048 1.00 31.69 C ATOM 1919 CG LYS A 202 28.261 48.052 -35.304 1.00 32.05 C ATOM 1920 CD LYS A 202 27.089 48.055 -36.268 1.00 30.61 C ATOM 1921 CE LYS A 202 26.400 46.694 -36.303 1.00 30.84 C ATOM 1922 NZ LYS A 202 27.383 45.583 -36.182 1.00 34.44 N ATOM 1923 HZ1 LYS A 202 28.058 45.632 -36.972 1.00 0.00 H ATOM 1924 HZ2 LYS A 202 27.895 45.671 -35.281 1.00 0.00 H ATOM 1925 HZ3 LYS A 202 26.881 44.673 -36.209 1.00 0.00 H ATOM 1926 H LYS A 202 28.815 48.762 -32.520 1.00 0.00 H ATOM 1927 N GLN A 203 30.191 51.718 -33.023 1.00 30.24 N ATOM 1928 CA GLN A 203 30.375 53.167 -33.032 1.00 30.72 C ATOM 1929 C GLN A 203 31.435 53.566 -32.025 1.00 28.99 C ATOM 1930 O GLN A 203 31.452 54.696 -31.577 1.00 25.77 O ATOM 1931 CB GLN A 203 29.053 53.919 -32.764 1.00 30.58 C ATOM 1932 CG GLN A 203 27.856 53.541 -33.625 1.00 33.00 C ATOM 1933 CD GLN A 203 26.520 53.763 -32.909 1.00 34.82 C ATOM 1934 OE1 GLN A 203 26.467 54.107 -31.711 1.00 36.69 O ATOM 1935 NE2 GLN A 203 25.428 53.550 -33.634 1.00 34.34 N ATOM 1936 HE22 GLN A 203 25.513 53.264 -34.630 1.00 0.00 H ATOM 1937 HE21 GLN A 203 24.488 53.669 -33.205 1.00 0.00 H ATOM 1938 H GLN A 203 29.825 51.242 -32.174 1.00 0.00 H ATOM 1939 N LEU A 204 32.321 52.638 -31.671 1.00 31.26 N ATOM 1940 CA LEU A 204 33.398 52.946 -30.709 1.00 32.41 C ATOM 1941 C LEU A 204 34.384 53.974 -31.274 1.00 32.70 C ATOM 1942 O LEU A 204 34.959 54.757 -30.512 1.00 29.21 O ATOM 1943 CB LEU A 204 34.133 51.673 -30.259 1.00 32.95 C ATOM 1944 CG LEU A 204 33.365 50.698 -29.365 1.00 31.83 C ATOM 1945 CD1 LEU A 204 34.135 49.407 -29.157 1.00 30.95 C ATOM 1946 CD2 LEU A 204 33.035 51.366 -28.033 1.00 32.83 C ATOM 1947 OXT LEU A 204 34.600 54.044 -32.504 1.00 34.84 O ATOM 1948 H LEU A 204 32.254 51.683 -32.077 1.00 0.00 H TER 1949 LEU A 204 HETATM 1950 O HOH 1 16.828 34.946 2.587 1.00 16.03 O HETATM 1951 O HOH 2 11.374 42.296 -26.277 1.00 16.71 O HETATM 1952 O HOH 3 4.587 52.609 -14.654 1.00 20.35 O HETATM 1953 O HOH 4 29.675 37.741 -29.670 1.00 13.97 O HETATM 1954 O HOH 5 19.945 52.983 -27.428 1.00 14.01 O HETATM 1955 O HOH 6 14.253 39.022 -35.151 1.00 21.80 O HETATM 1956 O HOH 7 19.572 43.871 -27.301 1.00 23.65 O HETATM 1957 O HOH 8 24.931 30.669 -19.755 1.00 17.13 O HETATM 1958 O HOH 9 36.281 39.125 -19.700 1.00 9.26 O HETATM 1959 C1 UNN A 10 33.619 51.469 -15.563 1.00 0.12 C HETATM 1960 C2 UNN A 10 33.581 50.249 -14.836 1.00 0.06 C HETATM 1961 C3 UNN A 10 33.194 49.059 -15.497 1.00 -0.03 C HETATM 1962 C4 UNN A 10 32.829 49.061 -16.864 1.00 0.04 C HETATM 1963 C12 UNN A 10 32.402 47.778 -17.558 1.00 0.20 C HETATM 1964 N20 UNN A 10 31.566 47.787 -18.617 1.00 -0.27 N HETATM 1965 C22 UNN A 10 31.148 46.552 -19.310 1.00 0.12 C HETATM 1966 C23 UNN A 10 29.847 46.951 -19.940 1.00 0.20 C HETATM 1967 O24 UNN A 10 29.326 47.903 -19.416 1.00 -0.39 O HETATM 1968 N25 UNN A 10 29.238 46.415 -21.019 1.00 -0.27 N HETATM 1969 C26 UNN A 10 29.591 45.239 -21.790 1.00 0.09 C HETATM 1970 C30 UNN A 10 28.374 44.388 -21.827 1.00 0.02 C HETATM 1971 N31 UNN A 10 27.966 43.956 -22.875 1.00 -0.36 N HETATM 1972 H23 UNN A 10 27.140 43.379 -22.895 1.00 0.11 H HETATM 1973 H18 UNN A 10 27.848 44.154 -20.903 1.00 0.12 H HETATM 1974 H7 UNN A 10 29.887 45.526 -22.810 1.00 0.08 H HETATM 1975 H8 UNN A 10 30.419 44.700 -21.306 1.00 0.08 H HETATM 1976 H22 UNN A 10 28.422 46.901 -21.333 1.00 0.19 H HETATM 1977 H5 UNN A 10 31.884 46.257 -20.073 1.00 0.08 H HETATM 1978 H6 UNN A 10 31.007 45.726 -18.598 1.00 0.08 H HETATM 1979 H21 UNN A 10 31.216 48.664 -18.945 1.00 0.19 H HETATM 1980 O21 UNN A 10 32.819 46.727 -17.118 1.00 -0.39 O HETATM 1981 C5 UNN A 10 32.856 50.285 -17.544 1.00 -0.05 C HETATM 1982 C6 UNN A 10 33.245 51.475 -16.925 1.00 -0.02 C HETATM 1983 H20 UNN A 10 33.260 52.401 -17.488 1.00 0.06 H HETATM 1984 H19 UNN A 10 32.565 50.310 -18.588 1.00 0.07 H HETATM 1985 H1 UNN A 10 33.177 48.127 -14.944 1.00 0.07 H HETATM 1986 C7 UNN A 10 34.020 50.220 -13.391 1.00 0.12 C HETATM 1987 C8 UNN A 10 35.311 49.566 -12.929 1.00 0.02 C HETATM 1988 C28 UNN A 10 36.497 49.675 -13.959 1.00 -0.08 C HETATM 1989 H12 UNN A 10 36.684 50.734 -14.192 1.00 0.01 H HETATM 1990 H13 UNN A 10 36.232 49.138 -14.882 1.00 0.01 H HETATM 1991 H14 UNN A 10 37.404 49.230 -13.523 1.00 0.01 H HETATM 1992 C29 UNN A 10 35.802 50.371 -11.694 1.00 -0.08 C HETATM 1993 H15 UNN A 10 35.029 50.350 -10.912 1.00 0.01 H HETATM 1994 H16 UNN A 10 35.997 51.413 -11.989 1.00 0.01 H HETATM 1995 H17 UNN A 10 36.727 49.920 -11.306 1.00 0.01 H HETATM 1996 C10 UNN A 10 34.979 48.115 -12.544 1.00 -0.04 C HETATM 1997 C13 UNN A 10 35.513 47.043 -13.264 1.00 -0.03 C HETATM 1998 C14 UNN A 10 35.230 45.731 -12.900 1.00 0.07 C HETATM 1999 C15 UNN A 10 34.384 45.429 -11.823 1.00 -0.01 C HETATM 2000 C16 UNN A 10 33.810 46.487 -11.107 1.00 0.07 C HETATM 2001 C17 UNN A 10 34.107 47.816 -11.477 1.00 -0.03 C HETATM 2002 H4 UNN A 10 33.652 48.630 -10.925 1.00 0.09 H HETATM 2003 CL2 UNN A 10 32.770 46.181 -9.733 1.00 -0.06 CL HETATM 2004 H3 UNN A 10 34.179 44.400 -11.551 1.00 0.09 H HETATM 2005 CL1 UNN A 10 35.947 44.460 -13.851 1.00 -0.06 CL HETATM 2006 H2 UNN A 10 36.155 47.236 -14.116 1.00 0.09 H HETATM 2007 O9 UNN A 10 33.375 50.735 -12.507 1.00 -0.35 O HETATM 2008 O11 UNN A 10 33.991 52.667 -14.913 1.00 -0.31 O HETATM 2009 C27 UNN A 10 34.053 53.978 -15.558 1.00 0.06 C HETATM 2010 H9 UNN A 10 34.370 54.733 -14.824 1.00 0.06 H HETATM 2011 H10 UNN A 10 33.059 54.242 -15.949 1.00 0.06 H HETATM 2012 H11 UNN A 10 34.776 53.945 -16.386 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1959 1960 1982 2008 CONECT 1960 1959 1961 1986 CONECT 1961 1960 1962 1985 CONECT 1962 1961 1963 1981 CONECT 1963 1962 1964 1980 CONECT 1964 1963 1965 1979 CONECT 1965 1964 1966 1977 1978 CONECT 1966 1965 1967 1968 CONECT 1967 1966 CONECT 1968 1966 1969 1976 CONECT 1969 1968 1970 1974 1975 CONECT 1970 1969 1971 1973 CONECT 1971 1970 1972 CONECT 1972 1971 CONECT 1973 1970 CONECT 1974 1969 CONECT 1975 1969 CONECT 1976 1968 CONECT 1977 1965 CONECT 1978 1965 CONECT 1979 1964 CONECT 1980 1963 CONECT 1981 1962 1982 1984 CONECT 1982 1959 1981 1983 CONECT 1983 1982 CONECT 1984 1981 CONECT 1985 1961 CONECT 1986 1960 1987 2007 CONECT 1987 1986 1988 1992 1996 CONECT 1988 1987 1989 1990 1991 CONECT 1989 1988 CONECT 1990 1988 CONECT 1991 1988 CONECT 1992 1987 1993 1994 1995 CONECT 1993 1992 CONECT 1994 1992 CONECT 1995 1992 CONECT 1996 1987 1997 2001 CONECT 1997 1996 1998 2006 CONECT 1998 1997 1999 2005 CONECT 1999 1998 2000 2004 CONECT 2000 1999 2001 2003 CONECT 2001 1996 2000 2002 CONECT 2002 2001 CONECT 2003 2000 CONECT 2004 1999 CONECT 2005 1998 CONECT 2006 1997 CONECT 2007 1986 CONECT 2008 1959 2009 CONECT 2009 2008 2010 2011 2012 CONECT 2010 2009 CONECT 2011 2009 CONECT 2012 2009 MASTER 0 0 0 0 0 0 0 0 2011 1 58 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 4wx7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4piq
RCSB PDB
PDBbind
11aa, >4PIQ_2|Chain... *
4pis
RCSB PDB
PDBbind
11aa, >4PIS_2|Chain... at 100%
4wx6
RCSB PDB
PDBbind
11aa, >4WX6_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4wx7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protease
Ligand Name
3VJ
EC.Number
E.C.3.4.22.39
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
IC50=0.04uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Bioorg.Med.Chem.Lett. Vol. 25: pp. 438-443
Ligand Properties
Formula
C
2
2
H
2
3
Cl
2
N
3
O
4
Molecular Weight
464.342
Exact Mass
463.107
No. of atoms
54
No. of bonds
55
Polar Surface Area
108.35
LOGP Value
3.60 (
Computed with XLOGP3
)
4.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
N=CCNC(=O)CNC(=O)c1ccc(c(c1)C(=O)C(c1cc(Cl)cc(c1)Cl)(C)C)OC
InChI String
InChI=1S/C22H23Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-6,8-11,25H,7,12H2,1-3H3,(H,26,28)(H,27,30)/b25-6+
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):
B9A5C1
B9A5F5
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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