Browse entries in the PDBbind-CN Database
HEADER 6O5U_COMPLEX COMPND 6O5U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 268 THR PRO TRP SER LYS SER GLU LEU VAL ARG GLN LEU ARG SEQRES 2 A 268 ASP LEU GLY VAL ARG SER GLY ASP MET VAL MET PRO HIS SEQRES 3 A 268 VAL SER LEU ARG ALA VAL GLY PRO LEU ALA ASP GLY PRO SEQRES 4 A 268 GLN THR LEU VAL ASP ALA LEU ILE GLU ALA VAL GLY PRO SEQRES 5 A 268 THR GLY ASN ILE LEU ALA PHE VAL SER TRP ARG ASP SER SEQRES 6 A 268 PRO TYR GLU GLN THR LEU GLY HIS ASP ALA PRO PRO ALA SEQRES 7 A 268 ALA ILE ALA GLN SER TRP PRO ALA PHE ASP PRO ASP HIS SEQRES 8 A 268 ALA PRO ALA TYR PRO GLY PHE GLY ALA ILE ASN GLU PHE SEQRES 9 A 268 ILE ARG THR TYR PRO GLY CYS ARG ARG SER ALA HIS PRO SEQRES 10 A 268 ASP ALA SER MET ALA ALA ILE GLY PRO ASP ALA ALA TRP SEQRES 11 A 268 LEU VAL ALA PRO HIS GLU MET GLY ALA ALA TYR GLY PRO SEQRES 12 A 268 ARG SER PRO ILE ALA ARG PHE LEU ALA HIS ALA GLY LYS SEQRES 13 A 268 ILE LEU SER ILE GLY ALA GLY PRO ASP ALA VAL THR ALA SEQRES 14 A 268 LEU HIS TYR ALA GLU ALA VAL ALA ARG ILE GLU GLY LYS SEQRES 15 A 268 ARG ARG VAL THR TYR SER MET PRO LEU LEU ARG GLU GLY SEQRES 16 A 268 LYS ARG VAL TRP VAL THR THR SER ASP TRP ASP SER ASN SEQRES 17 A 268 GLY ILE LEU ASP GLU TYR ALA ALA PRO ASP GLY PRO ASP SEQRES 18 A 268 ALA VAL GLU ARG ILE ALA ARG ASP TYR LEU ALA ARG THR SEQRES 19 A 268 ARG VAL ALA GLN GLY PRO VAL GLY GLY ALA GLN SER ARG SEQRES 20 A 268 LEU ILE ASP ALA ALA ASP ILE VAL SER PHE GLY ILE GLU SEQRES 21 A 268 TRP LEU GLU ALA ARG HIS ALA ALA HET MG A 1 1 HET KAN A 668 73 ATOM 1 N THR A 19 83.391 -18.627 12.240 1.00 55.74 N ATOM 2 CA THR A 19 83.825 -17.537 13.107 1.00 55.07 C ATOM 3 C THR A 19 85.327 -17.287 13.018 1.00 50.96 C ATOM 4 O THR A 19 86.118 -18.227 13.062 1.00 52.73 O ATOM 5 CB THR A 19 83.455 -17.826 14.579 1.00 58.73 C ATOM 6 OG1 THR A 19 84.014 -16.813 15.422 1.00 60.84 O ATOM 7 CG2 THR A 19 83.976 -19.191 15.013 1.00 60.20 C ATOM 8 HG1 THR A 19 83.775 -17.001 16.364 1.00 0.00 H ATOM 9 HN3 THR A 19 83.880 -19.503 12.515 1.00 0.00 H ATOM 10 HN2 THR A 19 83.621 -18.395 11.253 1.00 0.00 H ATOM 11 HN1 THR A 19 82.364 -18.757 12.337 1.00 0.00 H ATOM 12 N PRO A 20 85.725 -16.016 12.913 1.00 45.54 N ATOM 13 CA PRO A 20 87.143 -15.722 12.658 1.00 40.35 C ATOM 14 C PRO A 20 88.031 -16.153 13.813 1.00 34.89 C ATOM 15 O PRO A 20 87.651 -16.093 14.985 1.00 36.22 O ATOM 16 CB PRO A 20 87.177 -14.199 12.486 1.00 41.25 C ATOM 17 CG PRO A 20 85.758 -13.791 12.225 1.00 43.66 C ATOM 18 CD PRO A 20 84.920 -14.783 13.006 1.00 44.82 C ATOM 19 N TRP A 21 89.242 -16.572 13.462 1.00 30.34 N ATOM 20 CA TRP A 21 90.207 -17.018 14.450 1.00 29.59 C ATOM 21 C TRP A 21 90.718 -15.849 15.281 1.00 28.20 C ATOM 22 O TRP A 21 91.015 -14.768 14.760 1.00 27.83 O ATOM 23 CB TRP A 21 91.386 -17.680 13.731 1.00 28.51 C ATOM 24 CG TRP A 21 90.991 -18.861 12.921 1.00 29.53 C ATOM 25 CD1 TRP A 21 90.783 -18.907 11.570 1.00 30.22 C ATOM 26 CD2 TRP A 21 90.746 -20.177 13.412 1.00 29.60 C ATOM 27 NE1 TRP A 21 90.427 -20.173 11.189 1.00 31.04 N ATOM 28 CE2 TRP A 21 90.402 -20.978 12.299 1.00 30.68 C ATOM 29 CE3 TRP A 21 90.787 -20.761 14.689 1.00 31.10 C ATOM 30 CZ2 TRP A 21 90.096 -22.327 12.424 1.00 31.29 C ATOM 31 CZ3 TRP A 21 90.489 -22.109 14.810 1.00 31.92 C ATOM 32 CH2 TRP A 21 90.140 -22.875 13.682 1.00 31.80 C ATOM 33 HE1 TRP A 21 90.211 -20.475 10.217 1.00 0.00 H ATOM 34 H TRP A 21 89.505 -16.581 12.456 1.00 0.00 H ATOM 35 N SER A 22 90.828 -16.085 16.586 1.00 30.04 N ATOM 36 CA SER A 22 91.387 -15.124 17.518 1.00 28.07 C ATOM 37 C SER A 22 92.884 -15.353 17.679 1.00 25.28 C ATOM 38 O SER A 22 93.408 -16.447 17.419 1.00 24.98 O ATOM 39 CB SER A 22 90.732 -15.287 18.893 1.00 29.05 C ATOM 40 OG SER A 22 91.086 -16.537 19.462 1.00 29.57 O ATOM 41 HG SER A 22 90.779 -17.267 18.868 1.00 0.00 H ATOM 42 H SER A 22 90.498 -17.000 16.955 1.00 0.00 H ATOM 43 N LYS A 23 93.581 -14.313 18.140 1.00 25.18 N ATOM 44 CA LYS A 23 94.998 -14.462 18.440 1.00 24.45 C ATOM 45 C LYS A 23 95.233 -15.628 19.389 1.00 22.76 C ATOM 46 O LYS A 23 96.109 -16.465 19.161 1.00 22.28 O ATOM 47 CB LYS A 23 95.563 -13.182 19.051 1.00 26.60 C ATOM 48 CG LYS A 23 97.050 -13.298 19.389 1.00 28.59 C ATOM 49 CD LYS A 23 97.657 -11.980 19.809 1.00 30.30 C ATOM 50 CE LYS A 23 97.139 -11.542 21.167 1.00 31.30 C ATOM 51 NZ LYS A 23 97.845 -10.303 21.626 1.00 32.70 N ATOM 52 HZ1 LYS A 23 98.865 -10.493 21.699 1.00 0.00 H ATOM 53 HZ2 LYS A 23 97.682 -9.538 20.940 1.00 0.00 H ATOM 54 HZ3 LYS A 23 97.476 -10.020 22.556 1.00 0.00 H ATOM 55 H LYS A 23 93.112 -13.396 18.285 1.00 0.00 H ATOM 56 N SER A 24 94.445 -15.709 20.463 1.00 23.22 N ATOM 57 CA SER A 24 94.661 -16.765 21.445 1.00 24.27 C ATOM 58 C SER A 24 94.561 -18.145 20.816 1.00 24.04 C ATOM 59 O SER A 24 95.355 -19.036 21.134 1.00 23.75 O ATOM 60 CB SER A 24 93.649 -16.644 22.586 1.00 25.70 C ATOM 61 OG SER A 24 93.688 -17.775 23.441 1.00 25.10 O ATOM 62 HG SER A 24 93.022 -17.663 24.165 1.00 0.00 H ATOM 63 H SER A 24 93.678 -15.020 20.599 1.00 0.00 H ATOM 64 N GLU A 25 93.581 -18.353 19.932 1.00 24.40 N ATOM 65 CA GLU A 25 93.439 -19.661 19.309 1.00 26.31 C ATOM 66 C GLU A 25 94.661 -19.980 18.461 1.00 23.04 C ATOM 67 O GLU A 25 95.200 -21.089 18.517 1.00 23.24 O ATOM 68 CB GLU A 25 92.198 -19.690 18.428 1.00 29.80 C ATOM 69 CG GLU A 25 90.891 -19.812 19.198 1.00 35.80 C ATOM 70 CD GLU A 25 89.686 -19.660 18.299 1.00 41.75 C ATOM 71 OE1 GLU A 25 88.822 -20.553 18.311 1.00 46.99 O ATOM 72 OE2 GLU A 25 89.596 -18.646 17.582 1.00 40.50 O ATOM 73 H GLU A 25 92.923 -17.585 19.690 1.00 0.00 H ATOM 74 N LEU A 26 95.135 -18.991 17.699 1.00 20.54 N ATOM 75 CA LEU A 26 96.316 -19.215 16.876 1.00 19.51 C ATOM 76 C LEU A 26 97.538 -19.521 17.726 1.00 19.16 C ATOM 77 O LEU A 26 98.340 -20.393 17.377 1.00 19.17 O ATOM 78 CB LEU A 26 96.574 -18.010 16.005 1.00 19.90 C ATOM 79 CG LEU A 26 95.469 -17.707 15.003 1.00 21.64 C ATOM 80 CD1 LEU A 26 95.791 -16.381 14.323 1.00 23.66 C ATOM 81 CD2 LEU A 26 95.280 -18.804 13.982 1.00 23.86 C ATOM 82 H LEU A 26 94.663 -18.064 17.693 1.00 0.00 H ATOM 83 N VAL A 27 97.701 -18.820 18.850 1.00 19.23 N ATOM 84 CA VAL A 27 98.843 -19.073 19.717 1.00 19.51 C ATOM 85 C VAL A 27 98.824 -20.505 20.227 1.00 19.05 C ATOM 86 O VAL A 27 99.855 -21.184 20.253 1.00 19.42 O ATOM 87 CB VAL A 27 98.902 -18.018 20.843 1.00 20.23 C ATOM 88 CG1 VAL A 27 99.978 -18.393 21.817 1.00 22.11 C ATOM 89 CG2 VAL A 27 99.220 -16.669 20.258 1.00 21.75 C ATOM 90 H VAL A 27 97.008 -18.089 19.108 1.00 0.00 H ATOM 91 N ARG A 28 97.661 -20.977 20.683 1.00 19.17 N ATOM 92 CA ARG A 28 97.595 -22.341 21.175 1.00 21.32 C ATOM 93 C ARG A 28 97.872 -23.332 20.062 1.00 20.89 C ATOM 94 O ARG A 28 98.539 -24.344 20.291 1.00 21.22 O ATOM 95 CB ARG A 28 96.250 -22.603 21.845 1.00 25.46 C ATOM 96 CG ARG A 28 95.903 -21.629 22.972 1.00 28.78 C ATOM 97 CD ARG A 28 97.034 -21.436 23.999 1.00 30.72 C ATOM 98 NE ARG A 28 97.251 -22.597 24.862 1.00 30.61 N ATOM 99 CZ ARG A 28 98.348 -22.796 25.581 1.00 35.20 C ATOM 100 NH1 ARG A 28 99.338 -21.913 25.553 1.00 40.79 N ATOM 101 NH2 ARG A 28 98.467 -23.884 26.324 1.00 37.28 N ATOM 102 HE ARG A 28 96.497 -23.312 24.915 1.00 0.00 H ATOM 103 HH12 ARG A 28 100.195 -22.075 26.119 1.00 0.00 H ATOM 104 HH11 ARG A 28 99.257 -21.059 24.965 1.00 0.00 H ATOM 105 HH22 ARG A 28 99.328 -24.038 26.887 1.00 0.00 H ATOM 106 HH21 ARG A 28 97.700 -24.586 26.345 1.00 0.00 H ATOM 107 H ARG A 28 96.813 -20.375 20.686 1.00 0.00 H ATOM 108 N GLN A 29 97.383 -23.055 18.852 1.00 20.19 N ATOM 109 CA GLN A 29 97.685 -23.926 17.720 1.00 20.35 C ATOM 110 C GLN A 29 99.175 -23.955 17.413 1.00 18.74 C ATOM 111 O GLN A 29 99.731 -25.023 17.121 1.00 19.14 O ATOM 112 CB GLN A 29 96.920 -23.440 16.509 1.00 20.04 C ATOM 113 CG GLN A 29 95.430 -23.796 16.530 1.00 19.84 C ATOM 114 CD GLN A 29 94.721 -23.201 15.345 1.00 21.32 C ATOM 115 OE1 GLN A 29 95.029 -22.095 14.923 1.00 21.98 O ATOM 116 NE2 GLN A 29 93.749 -23.925 14.812 1.00 23.79 N ATOM 117 HE22 GLN A 29 93.522 -24.861 15.205 1.00 0.00 H ATOM 118 HE21 GLN A 29 93.212 -23.558 14.001 1.00 0.00 H ATOM 119 H GLN A 29 96.785 -22.216 18.715 1.00 0.00 H ATOM 120 N LEU A 30 99.837 -22.795 17.483 1.00 18.06 N ATOM 121 CA LEU A 30 101.273 -22.732 17.242 1.00 17.47 C ATOM 122 C LEU A 30 102.035 -23.502 18.301 1.00 19.33 C ATOM 123 O LEU A 30 102.999 -24.219 17.991 1.00 17.75 O ATOM 124 CB LEU A 30 101.721 -21.279 17.141 1.00 17.24 C ATOM 125 CG LEU A 30 101.227 -20.514 15.920 1.00 17.99 C ATOM 126 CD1 LEU A 30 101.403 -19.027 16.087 1.00 19.63 C ATOM 127 CD2 LEU A 30 101.991 -21.002 14.674 1.00 18.47 C ATOM 128 H LEU A 30 99.318 -21.923 17.713 1.00 0.00 H ATOM 129 N ARG A 31 101.597 -23.412 19.560 1.00 20.07 N ATOM 130 CA ARG A 31 102.224 -24.219 20.594 1.00 20.76 C ATOM 131 C ARG A 31 102.026 -25.706 20.313 1.00 20.09 C ATOM 132 O ARG A 31 102.953 -26.509 20.484 1.00 20.15 O ATOM 133 CB ARG A 31 101.640 -23.834 21.957 1.00 25.26 C ATOM 134 CG ARG A 31 102.032 -22.437 22.445 1.00 32.95 C ATOM 135 CD ARG A 31 103.208 -22.493 23.418 1.00 38.90 C ATOM 136 NE ARG A 31 103.658 -21.182 23.891 1.00 40.71 N ATOM 137 CZ ARG A 31 104.574 -20.444 23.276 1.00 38.11 C ATOM 138 NH1 ARG A 31 105.124 -20.872 22.143 1.00 30.33 N ATOM 139 NH2 ARG A 31 104.930 -19.275 23.787 1.00 40.17 N ATOM 140 HE ARG A 31 103.234 -20.806 24.763 1.00 0.00 H ATOM 141 HH12 ARG A 31 105.842 -20.293 21.662 1.00 0.00 H ATOM 142 HH11 ARG A 31 104.836 -21.786 21.738 1.00 0.00 H ATOM 143 HH22 ARG A 31 105.647 -18.695 23.307 1.00 0.00 H ATOM 144 HH21 ARG A 31 104.492 -18.938 24.668 1.00 0.00 H ATOM 145 H ARG A 31 100.814 -22.770 19.798 1.00 0.00 H ATOM 146 N ASP A 32 100.812 -26.099 19.910 1.00 20.43 N ATOM 147 CA ASP A 32 100.562 -27.509 19.634 1.00 21.30 C ATOM 148 C ASP A 32 101.488 -28.013 18.531 1.00 20.34 C ATOM 149 O ASP A 32 101.929 -29.162 18.567 1.00 21.82 O ATOM 150 CB ASP A 32 99.128 -27.739 19.163 1.00 22.90 C ATOM 151 CG ASP A 32 98.113 -27.638 20.251 1.00 26.85 C ATOM 152 OD1 ASP A 32 96.932 -27.456 19.906 1.00 27.27 O ATOM 153 OD2 ASP A 32 98.490 -27.713 21.428 1.00 28.35 O ATOM 154 H ASP A 32 100.049 -25.401 19.794 1.00 0.00 H ATOM 155 N LEU A 33 101.783 -27.170 17.538 1.00 20.00 N ATOM 156 CA LEU A 33 102.640 -27.551 16.422 1.00 20.04 C ATOM 157 C LEU A 33 104.103 -27.657 16.825 1.00 19.34 C ATOM 158 O LEU A 33 104.902 -28.272 16.114 1.00 21.97 O ATOM 159 CB LEU A 33 102.495 -26.487 15.337 1.00 22.57 C ATOM 160 CG LEU A 33 102.978 -26.866 13.951 1.00 24.08 C ATOM 161 CD1 LEU A 33 102.140 -28.008 13.394 1.00 24.39 C ATOM 162 CD2 LEU A 33 102.923 -25.613 13.083 1.00 24.03 C ATOM 163 H LEU A 33 101.388 -26.208 17.562 1.00 0.00 H ATOM 164 N GLY A 34 104.486 -27.041 17.932 1.00 18.07 N ATOM 165 CA GLY A 34 105.832 -27.155 18.442 1.00 17.89 C ATOM 166 C GLY A 34 106.570 -25.845 18.511 1.00 16.79 C ATOM 167 O GLY A 34 107.762 -25.859 18.822 1.00 17.27 O ATOM 168 H GLY A 34 103.798 -26.458 18.449 1.00 0.00 H ATOM 169 N VAL A 35 105.946 -24.711 18.224 1.00 16.33 N ATOM 170 CA VAL A 35 106.610 -23.419 18.414 1.00 16.34 C ATOM 171 C VAL A 35 106.761 -23.171 19.906 1.00 17.85 C ATOM 172 O VAL A 35 105.794 -23.292 20.673 1.00 19.92 O ATOM 173 CB VAL A 35 105.827 -22.284 17.741 1.00 16.30 C ATOM 174 CG1 VAL A 35 106.561 -20.975 17.971 1.00 17.66 C ATOM 175 CG2 VAL A 35 105.647 -22.551 16.266 1.00 17.53 C ATOM 176 H VAL A 35 104.972 -24.739 17.859 1.00 0.00 H ATOM 177 N ARG A 36 107.977 -22.858 20.329 1.00 17.51 N ATOM 178 CA ARG A 36 108.287 -22.621 21.729 1.00 18.22 C ATOM 179 C ARG A 36 108.839 -21.218 21.930 1.00 17.93 C ATOM 180 O ARG A 36 109.431 -20.620 21.026 1.00 16.74 O ATOM 181 CB ARG A 36 109.330 -23.620 22.205 1.00 20.28 C ATOM 182 CG ARG A 36 108.840 -25.057 22.197 1.00 24.68 C ATOM 183 CD ARG A 36 107.760 -25.288 23.247 1.00 32.47 C ATOM 184 NE ARG A 36 107.151 -26.615 23.185 1.00 36.50 N ATOM 185 CZ ARG A 36 106.019 -26.902 22.554 1.00 37.73 C ATOM 186 NH1 ARG A 36 105.357 -25.962 21.905 1.00 32.39 N ATOM 187 NH2 ARG A 36 105.558 -28.142 22.570 1.00 39.33 N ATOM 188 HE ARG A 36 107.641 -27.393 23.672 1.00 0.00 H ATOM 189 HH12 ARG A 36 104.471 -26.195 21.413 1.00 0.00 H ATOM 190 HH11 ARG A 36 105.722 -24.988 21.886 1.00 0.00 H ATOM 191 HH22 ARG A 36 104.672 -28.374 22.078 1.00 0.00 H ATOM 192 HH21 ARG A 36 106.082 -28.885 23.075 1.00 0.00 H ATOM 193 H ARG A 36 108.742 -22.779 19.629 1.00 0.00 H ATOM 194 N SER A 37 108.631 -20.678 23.131 1.00 18.54 N ATOM 195 CA SER A 37 109.252 -19.415 23.493 1.00 19.12 C ATOM 196 C SER A 37 110.756 -19.496 23.270 1.00 18.23 C ATOM 197 O SER A 37 111.410 -20.474 23.641 1.00 19.01 O ATOM 198 CB SER A 37 108.919 -19.086 24.953 1.00 23.83 C ATOM 199 OG SER A 37 107.537 -18.823 25.071 1.00 27.91 O ATOM 200 HG SER A 37 107.322 -18.611 26.014 1.00 0.00 H ATOM 201 H SER A 37 108.018 -21.165 23.816 1.00 0.00 H ATOM 202 N GLY A 38 111.293 -18.488 22.609 1.00 17.08 N ATOM 203 CA GLY A 38 112.692 -18.454 22.283 1.00 15.83 C ATOM 204 C GLY A 38 113.032 -18.875 20.870 1.00 14.53 C ATOM 205 O GLY A 38 114.181 -18.703 20.456 1.00 15.57 O ATOM 206 H GLY A 38 110.686 -17.696 22.316 1.00 0.00 H ATOM 207 N ASP A 39 112.091 -19.465 20.146 1.00 14.60 N ATOM 208 CA ASP A 39 112.374 -20.013 18.838 1.00 14.11 C ATOM 209 C ASP A 39 112.679 -18.910 17.827 1.00 14.04 C ATOM 210 O ASP A 39 112.276 -17.745 17.957 1.00 14.69 O ATOM 211 CB ASP A 39 111.183 -20.811 18.321 1.00 15.81 C ATOM 212 CG ASP A 39 111.100 -22.203 18.907 1.00 15.84 C ATOM 213 OD1 ASP A 39 111.976 -22.631 19.699 1.00 16.60 O ATOM 214 OD2 ASP A 39 110.148 -22.928 18.543 1.00 16.42 O ATOM 215 H ASP A 39 111.126 -19.535 20.528 1.00 0.00 H ATOM 216 N MET A 40 113.424 -19.326 16.803 1.00 13.39 N ATOM 217 CA MET A 40 113.751 -18.547 15.617 1.00 13.67 C ATOM 218 C MET A 40 112.945 -19.146 14.474 1.00 14.53 C ATOM 219 O MET A 40 113.224 -20.261 14.037 1.00 15.55 O ATOM 220 CB MET A 40 115.245 -18.690 15.365 1.00 14.92 C ATOM 221 CG MET A 40 115.706 -18.274 13.982 1.00 15.94 C ATOM 222 SD MET A 40 115.956 -16.512 13.743 1.00 16.76 S ATOM 223 CE MET A 40 114.364 -16.005 13.094 1.00 16.29 C ATOM 224 H MET A 40 113.805 -20.292 16.856 1.00 0.00 H ATOM 225 N VAL A 41 111.948 -18.404 13.989 1.00 13.89 N ATOM 226 CA VAL A 41 110.964 -18.943 13.049 1.00 14.46 C ATOM 227 C VAL A 41 110.920 -18.114 11.774 1.00 14.55 C ATOM 228 O VAL A 41 110.817 -16.882 11.841 1.00 15.19 O ATOM 229 CB VAL A 41 109.565 -18.959 13.687 1.00 14.70 C ATOM 230 CG1 VAL A 41 108.492 -19.366 12.691 1.00 15.85 C ATOM 231 CG2 VAL A 41 109.600 -19.897 14.869 1.00 16.76 C ATOM 232 H VAL A 41 111.867 -17.411 14.288 1.00 0.00 H ATOM 233 N MET A 42 110.904 -18.803 10.614 1.00 14.42 N ATOM 234 CA MET A 42 110.728 -18.174 9.307 1.00 14.52 C ATOM 235 C MET A 42 109.391 -18.670 8.767 1.00 13.83 C ATOM 236 O MET A 42 109.251 -19.871 8.477 1.00 15.39 O ATOM 237 CB MET A 42 111.860 -18.542 8.351 1.00 14.58 C ATOM 238 CG MET A 42 111.631 -17.955 7.005 1.00 15.33 C ATOM 239 SD MET A 42 113.158 -18.107 6.027 1.00 16.79 S ATOM 240 CE MET A 42 112.777 -16.992 4.670 1.00 17.89 C ATOM 241 H MET A 42 111.023 -19.835 10.652 1.00 0.00 H ATOM 242 N PRO A 43 108.370 -17.818 8.661 1.00 14.37 N ATOM 243 CA PRO A 43 107.059 -18.292 8.208 1.00 14.73 C ATOM 244 C PRO A 43 106.883 -18.170 6.704 1.00 15.60 C ATOM 245 O PRO A 43 107.387 -17.250 6.064 1.00 16.06 O ATOM 246 CB PRO A 43 106.080 -17.333 8.906 1.00 15.99 C ATOM 247 CG PRO A 43 106.854 -16.050 8.982 1.00 16.61 C ATOM 248 CD PRO A 43 108.316 -16.423 9.158 1.00 15.50 C ATOM 249 N HIS A 44 106.098 -19.100 6.171 1.00 15.69 N ATOM 250 CA HIS A 44 105.584 -19.053 4.802 1.00 15.87 C ATOM 251 C HIS A 44 104.088 -19.288 4.928 1.00 16.06 C ATOM 252 O HIS A 44 103.671 -20.354 5.381 1.00 17.85 O ATOM 253 CB HIS A 44 106.209 -20.137 3.920 1.00 17.58 C ATOM 254 CG HIS A 44 107.693 -20.020 3.767 1.00 17.95 C ATOM 255 ND1 HIS A 44 108.308 -18.935 3.187 1.00 19.69 N ATOM 256 CD2 HIS A 44 108.681 -20.853 4.166 1.00 18.92 C ATOM 257 CE1 HIS A 44 109.618 -19.124 3.204 1.00 19.08 C ATOM 258 NE2 HIS A 44 109.870 -20.259 3.820 1.00 18.49 N ATOM 259 H HIS A 44 105.832 -19.912 6.764 1.00 0.00 H ATOM 260 N VAL A 45 103.282 -18.295 4.554 1.00 17.65 N ATOM 261 CA VAL A 45 101.859 -18.302 4.888 1.00 18.27 C ATOM 262 C VAL A 45 100.988 -18.138 3.652 1.00 19.62 C ATOM 263 O VAL A 45 101.184 -17.203 2.868 1.00 21.12 O ATOM 264 CB VAL A 45 101.541 -17.158 5.864 1.00 19.22 C ATOM 265 CG1 VAL A 45 100.066 -17.169 6.294 1.00 20.49 C ATOM 266 CG2 VAL A 45 102.464 -17.220 7.071 1.00 20.37 C ATOM 267 H VAL A 45 103.674 -17.498 4.013 1.00 0.00 H ATOM 268 N SER A 46 99.972 -19.002 3.538 1.00 20.54 N ATOM 269 CA SER A 46 98.850 -18.771 2.629 1.00 22.25 C ATOM 270 C SER A 46 97.676 -18.240 3.458 1.00 23.07 C ATOM 271 O SER A 46 97.016 -19.005 4.167 1.00 22.51 O ATOM 272 CB SER A 46 98.425 -20.062 1.947 1.00 23.71 C ATOM 273 OG SER A 46 97.204 -19.846 1.228 1.00 26.72 O ATOM 274 HG SER A 46 96.497 -19.558 1.859 1.00 0.00 H ATOM 275 H SER A 46 99.981 -19.867 4.115 1.00 0.00 H ATOM 276 N LEU A 47 97.396 -16.935 3.372 1.00 23.52 N ATOM 277 CA LEU A 47 96.293 -16.373 4.157 1.00 25.62 C ATOM 278 C LEU A 47 94.938 -16.921 3.726 1.00 28.69 C ATOM 279 O LEU A 47 94.018 -16.996 4.545 1.00 27.54 O ATOM 280 CB LEU A 47 96.328 -14.850 4.115 1.00 25.83 C ATOM 281 CG LEU A 47 97.490 -14.225 4.906 1.00 26.74 C ATOM 282 CD1 LEU A 47 97.647 -12.762 4.571 1.00 28.27 C ATOM 283 CD2 LEU A 47 97.309 -14.436 6.406 1.00 28.51 C ATOM 284 H LEU A 47 97.959 -16.321 2.750 1.00 0.00 H ATOM 285 N ARG A 48 94.795 -17.330 2.470 1.00 31.54 N ATOM 286 CA ARG A 48 93.541 -17.933 2.022 1.00 35.98 C ATOM 287 C ARG A 48 93.272 -19.252 2.742 1.00 33.14 C ATOM 288 O ARG A 48 92.123 -19.563 3.080 1.00 34.98 O ATOM 289 CB ARG A 48 93.587 -18.128 0.502 1.00 45.64 C ATOM 290 CG ARG A 48 92.223 -18.217 -0.191 1.00 56.19 C ATOM 291 CD ARG A 48 92.293 -18.061 -1.725 1.00 65.62 C ATOM 292 NE ARG A 48 93.493 -17.385 -2.226 1.00 72.13 N ATOM 293 CZ ARG A 48 93.602 -16.079 -2.458 1.00 76.73 C ATOM 294 NH1 ARG A 48 92.583 -15.263 -2.231 1.00 78.81 N ATOM 295 NH2 ARG A 48 94.747 -15.590 -2.915 1.00 78.91 N ATOM 296 HE ARG A 48 94.328 -17.975 -2.416 1.00 0.00 H ATOM 297 HH12 ARG A 48 92.681 -14.244 -2.416 1.00 0.00 H ATOM 298 HH11 ARG A 48 91.685 -15.641 -1.867 1.00 0.00 H ATOM 299 HH22 ARG A 48 94.841 -14.571 -3.099 1.00 0.00 H ATOM 300 HH21 ARG A 48 95.551 -16.226 -3.089 1.00 0.00 H ATOM 301 H ARG A 48 95.582 -17.220 1.800 1.00 0.00 H ATOM 302 N ALA A 49 94.320 -20.037 2.989 1.00 29.67 N ATOM 303 CA ALA A 49 94.153 -21.297 3.694 1.00 27.72 C ATOM 304 C ALA A 49 93.859 -21.077 5.167 1.00 26.36 C ATOM 305 O ALA A 49 93.142 -21.877 5.775 1.00 25.88 O ATOM 306 CB ALA A 49 95.425 -22.130 3.561 1.00 27.44 C ATOM 307 H ALA A 49 95.267 -19.745 2.674 1.00 0.00 H ATOM 308 N VAL A 50 94.408 -20.011 5.753 1.00 25.04 N ATOM 309 CA VAL A 50 94.203 -19.742 7.171 1.00 23.22 C ATOM 310 C VAL A 50 92.749 -19.399 7.449 1.00 25.76 C ATOM 311 O VAL A 50 92.189 -19.796 8.478 1.00 25.86 O ATOM 312 CB VAL A 50 95.154 -18.617 7.617 1.00 22.03 C ATOM 313 CG1 VAL A 50 94.781 -18.100 9.013 1.00 24.38 C ATOM 314 CG2 VAL A 50 96.600 -19.100 7.590 1.00 21.36 C ATOM 315 H VAL A 50 94.992 -19.361 5.189 1.00 0.00 H ATOM 316 N GLY A 51 92.122 -18.640 6.562 1.00 27.10 N ATOM 317 CA GLY A 51 90.753 -18.233 6.765 1.00 28.10 C ATOM 318 C GLY A 51 90.639 -16.944 7.546 1.00 28.28 C ATOM 319 O GLY A 51 91.630 -16.370 8.002 1.00 25.80 O ATOM 320 H GLY A 51 92.625 -18.333 5.705 1.00 0.00 H ATOM 321 N PRO A 52 89.412 -16.453 7.701 1.00 31.54 N ATOM 322 CA PRO A 52 89.218 -15.145 8.340 1.00 32.18 C ATOM 323 C PRO A 52 89.832 -15.066 9.732 1.00 30.41 C ATOM 324 O PRO A 52 89.767 -16.005 10.531 1.00 28.74 O ATOM 325 CB PRO A 52 87.692 -14.979 8.386 1.00 34.99 C ATOM 326 CG PRO A 52 87.109 -16.302 7.935 1.00 36.73 C ATOM 327 CD PRO A 52 88.172 -16.983 7.113 1.00 34.96 C ATOM 328 N LEU A 53 90.429 -13.915 10.002 1.00 29.48 N ATOM 329 CA LEU A 53 91.100 -13.621 11.253 1.00 29.93 C ATOM 330 C LEU A 53 90.407 -12.449 11.934 1.00 30.01 C ATOM 331 O LEU A 53 89.912 -11.529 11.281 1.00 30.83 O ATOM 332 CB LEU A 53 92.567 -13.278 10.983 1.00 29.30 C ATOM 333 CG LEU A 53 93.405 -14.387 10.345 1.00 30.56 C ATOM 334 CD1 LEU A 53 94.755 -13.852 9.909 1.00 32.22 C ATOM 335 CD2 LEU A 53 93.560 -15.545 11.327 1.00 31.41 C ATOM 336 H LEU A 53 90.416 -13.176 9.271 1.00 0.00 H ATOM 337 N ALA A 54 90.382 -12.497 13.263 1.00 31.12 N ATOM 338 CA ALA A 54 89.644 -11.501 14.031 1.00 31.82 C ATOM 339 C ALA A 54 89.928 -10.088 13.540 1.00 32.08 C ATOM 340 O ALA A 54 89.000 -9.300 13.308 1.00 32.22 O ATOM 341 CB ALA A 54 89.997 -11.641 15.515 1.00 33.97 C ATOM 342 H ALA A 54 90.895 -13.253 13.760 1.00 0.00 H ATOM 343 N ASP A 55 91.209 -9.740 13.395 1.00 32.82 N ATOM 344 CA ASP A 55 91.620 -8.414 12.950 1.00 34.11 C ATOM 345 C ASP A 55 92.512 -8.503 11.725 1.00 32.41 C ATOM 346 O ASP A 55 93.477 -7.745 11.571 1.00 34.37 O ATOM 347 CB ASP A 55 92.332 -7.664 14.064 1.00 37.92 C ATOM 348 CG ASP A 55 91.421 -7.364 15.206 1.00 43.53 C ATOM 349 OD1 ASP A 55 91.565 -8.011 16.258 1.00 46.16 O ATOM 350 OD2 ASP A 55 90.527 -6.515 15.027 1.00 47.36 O ATOM 351 H ASP A 55 91.944 -10.444 13.608 1.00 0.00 H ATOM 352 N GLY A 56 92.178 -9.415 10.829 1.00 31.39 N ATOM 353 CA GLY A 56 92.928 -9.578 9.613 1.00 29.43 C ATOM 354 C GLY A 56 94.305 -10.147 9.857 1.00 27.43 C ATOM 355 O GLY A 56 94.604 -10.660 10.937 1.00 26.96 O ATOM 356 H GLY A 56 91.356 -10.027 11.007 1.00 0.00 H ATOM 357 N PRO A 57 95.178 -10.037 8.853 1.00 25.87 N ATOM 358 CA PRO A 57 96.515 -10.664 8.947 1.00 24.19 C ATOM 359 C PRO A 57 97.314 -10.283 10.176 1.00 22.90 C ATOM 360 O PRO A 57 98.096 -11.109 10.681 1.00 21.27 O ATOM 361 CB PRO A 57 97.208 -10.188 7.663 1.00 25.28 C ATOM 362 CG PRO A 57 96.064 -10.010 6.681 1.00 26.78 C ATOM 363 CD PRO A 57 94.917 -9.470 7.513 1.00 27.15 C ATOM 364 N GLN A 58 97.127 -9.068 10.695 1.00 23.44 N ATOM 365 CA GLN A 58 97.840 -8.679 11.907 1.00 22.88 C ATOM 366 C GLN A 58 97.589 -9.669 13.044 1.00 21.71 C ATOM 367 O GLN A 58 98.434 -9.828 13.933 1.00 22.05 O ATOM 368 CB GLN A 58 97.429 -7.264 12.334 1.00 22.70 C ATOM 369 CG GLN A 58 98.255 -6.776 13.476 1.00 23.37 C ATOM 370 CD GLN A 58 99.692 -6.487 13.052 1.00 24.43 C ATOM 371 OE1 GLN A 58 99.936 -5.926 11.980 1.00 26.28 O ATOM 372 NE2 GLN A 58 100.646 -6.878 13.886 1.00 25.20 N ATOM 373 HE22 GLN A 58 100.395 -7.347 14.780 1.00 0.00 H ATOM 374 HE21 GLN A 58 101.645 -6.715 13.647 1.00 0.00 H ATOM 375 H GLN A 58 96.475 -8.400 10.237 1.00 0.00 H ATOM 376 N THR A 59 96.410 -10.292 13.082 1.00 21.58 N ATOM 377 CA THR A 59 96.133 -11.254 14.143 1.00 21.57 C ATOM 378 C THR A 59 97.167 -12.371 14.143 1.00 21.73 C ATOM 379 O THR A 59 97.652 -12.785 15.200 1.00 21.64 O ATOM 380 CB THR A 59 94.737 -11.845 13.962 1.00 25.29 C ATOM 381 OG1 THR A 59 93.764 -10.795 14.058 1.00 28.69 O ATOM 382 CG2 THR A 59 94.446 -12.924 15.026 1.00 25.96 C ATOM 383 HG1 THR A 59 93.831 -10.365 14.947 1.00 0.00 H ATOM 384 H THR A 59 95.691 -10.093 12.358 1.00 0.00 H ATOM 385 N LEU A 60 97.519 -12.873 12.955 1.00 21.08 N ATOM 386 CA LEU A 60 98.505 -13.944 12.865 1.00 19.54 C ATOM 387 C LEU A 60 99.915 -13.429 13.131 1.00 18.99 C ATOM 388 O LEU A 60 100.720 -14.126 13.760 1.00 19.28 O ATOM 389 CB LEU A 60 98.398 -14.600 11.500 1.00 19.92 C ATOM 390 CG LEU A 60 99.382 -15.748 11.273 1.00 20.58 C ATOM 391 CD1 LEU A 60 99.273 -16.853 12.256 1.00 22.56 C ATOM 392 CD2 LEU A 60 99.166 -16.300 9.833 1.00 22.68 C ATOM 393 H LEU A 60 97.086 -12.497 12.088 1.00 0.00 H ATOM 394 N VAL A 61 100.234 -12.216 12.688 1.00 19.38 N ATOM 395 CA VAL A 61 101.509 -11.615 13.062 1.00 19.00 C ATOM 396 C VAL A 61 101.623 -11.528 14.574 1.00 18.06 C ATOM 397 O VAL A 61 102.622 -11.940 15.167 1.00 19.29 O ATOM 398 CB VAL A 61 101.692 -10.249 12.385 1.00 19.50 C ATOM 399 CG1 VAL A 61 102.966 -9.594 12.887 1.00 20.51 C ATOM 400 CG2 VAL A 61 101.704 -10.381 10.885 1.00 19.79 C ATOM 401 H VAL A 61 99.574 -11.696 12.075 1.00 0.00 H ATOM 402 N ASP A 62 100.598 -10.996 15.225 1.00 18.50 N ATOM 403 CA ASP A 62 100.650 -10.891 16.681 1.00 19.45 C ATOM 404 C ASP A 62 100.774 -12.263 17.321 1.00 19.38 C ATOM 405 O ASP A 62 101.445 -12.430 18.345 1.00 20.67 O ATOM 406 CB ASP A 62 99.391 -10.192 17.209 1.00 22.70 C ATOM 407 CG ASP A 62 99.304 -8.741 16.808 1.00 25.35 C ATOM 408 OD1 ASP A 62 100.350 -8.129 16.502 1.00 25.77 O ATOM 409 OD2 ASP A 62 98.166 -8.203 16.811 1.00 28.39 O ATOM 410 H ASP A 62 99.764 -10.657 14.704 1.00 0.00 H ATOM 411 N ALA A 63 100.079 -13.259 16.767 1.00 19.19 N ATOM 412 CA ALA A 63 100.133 -14.598 17.344 1.00 18.79 C ATOM 413 C ALA A 63 101.540 -15.185 17.222 1.00 18.86 C ATOM 414 O ALA A 63 102.044 -15.824 18.156 1.00 19.02 O ATOM 415 CB ALA A 63 99.117 -15.537 16.666 1.00 19.15 C ATOM 416 H ALA A 63 99.498 -13.080 15.923 1.00 0.00 H ATOM 417 N LEU A 64 102.195 -14.969 16.078 1.00 19.30 N ATOM 418 CA LEU A 64 103.550 -15.477 15.879 1.00 20.60 C ATOM 419 C LEU A 64 104.519 -14.840 16.858 1.00 20.14 C ATOM 420 O LEU A 64 105.362 -15.514 17.458 1.00 19.33 O ATOM 421 CB LEU A 64 104.003 -15.169 14.452 1.00 25.54 C ATOM 422 CG LEU A 64 103.298 -15.898 13.316 1.00 31.54 C ATOM 423 CD1 LEU A 64 103.652 -15.276 11.990 1.00 36.04 C ATOM 424 CD2 LEU A 64 103.707 -17.370 13.356 1.00 35.89 C ATOM 425 H LEU A 64 101.733 -14.431 15.317 1.00 0.00 H ATOM 426 N ILE A 65 104.401 -13.530 17.042 1.00 19.68 N ATOM 427 CA ILE A 65 105.259 -12.816 17.979 1.00 21.22 C ATOM 428 C ILE A 65 105.022 -13.295 19.402 1.00 20.01 C ATOM 429 O ILE A 65 105.970 -13.515 20.159 1.00 20.11 O ATOM 430 CB ILE A 65 105.033 -11.299 17.831 1.00 23.91 C ATOM 431 CG1 ILE A 65 105.540 -10.826 16.473 1.00 26.85 C ATOM 432 CG2 ILE A 65 105.699 -10.526 18.969 1.00 24.60 C ATOM 433 CD1 ILE A 65 105.135 -9.410 16.129 1.00 29.63 C ATOM 434 H ILE A 65 103.682 -13.003 16.507 1.00 0.00 H ATOM 435 N GLU A 66 103.761 -13.505 19.786 1.00 19.85 N ATOM 436 CA GLU A 66 103.487 -14.022 21.116 1.00 21.18 C ATOM 437 C GLU A 66 104.017 -15.443 21.273 1.00 19.48 C ATOM 438 O GLU A 66 104.555 -15.810 22.317 1.00 20.36 O ATOM 439 CB GLU A 66 101.984 -13.988 21.375 1.00 26.84 C ATOM 440 CG GLU A 66 101.623 -14.488 22.740 1.00 31.06 C ATOM 441 CD GLU A 66 100.217 -14.107 23.141 1.00 36.95 C ATOM 442 OE1 GLU A 66 99.550 -14.926 23.780 1.00 39.13 O ATOM 443 OE2 GLU A 66 99.797 -12.992 22.801 1.00 41.55 O ATOM 444 H GLU A 66 102.977 -13.299 19.135 1.00 0.00 H ATOM 445 N ALA A 67 103.888 -16.264 20.230 1.00 18.12 N ATOM 446 CA ALA A 67 104.331 -17.654 20.334 1.00 17.75 C ATOM 447 C ALA A 67 105.841 -17.759 20.534 1.00 17.24 C ATOM 448 O ALA A 67 106.315 -18.585 21.321 1.00 19.41 O ATOM 449 CB ALA A 67 103.897 -18.432 19.090 1.00 18.62 C ATOM 450 H ALA A 67 103.472 -15.916 19.343 1.00 0.00 H ATOM 451 N VAL A 68 106.619 -16.920 19.856 1.00 17.39 N ATOM 452 CA VAL A 68 108.073 -16.987 19.998 1.00 16.73 C ATOM 453 C VAL A 68 108.539 -16.241 21.229 1.00 16.55 C ATOM 454 O VAL A 68 109.653 -16.467 21.707 1.00 17.59 O ATOM 455 CB VAL A 68 108.860 -16.546 18.747 1.00 17.26 C ATOM 456 CG1 VAL A 68 108.455 -17.407 17.503 1.00 17.39 C ATOM 457 CG2 VAL A 68 108.711 -15.075 18.476 1.00 17.90 C ATOM 458 H VAL A 68 106.192 -16.214 19.223 1.00 0.00 H ATOM 459 N GLY A 69 107.696 -15.389 21.770 1.00 18.03 N ATOM 460 CA GLY A 69 107.983 -14.711 23.010 1.00 20.00 C ATOM 461 C GLY A 69 108.999 -13.598 22.873 1.00 21.07 C ATOM 462 O GLY A 69 109.527 -13.304 21.806 1.00 20.15 O ATOM 463 H GLY A 69 106.794 -15.198 21.289 1.00 0.00 H ATOM 464 N PRO A 70 109.286 -12.931 23.988 1.00 23.71 N ATOM 465 CA PRO A 70 110.198 -11.778 23.939 1.00 23.63 C ATOM 466 C PRO A 70 111.657 -12.129 23.715 1.00 21.13 C ATOM 467 O PRO A 70 112.437 -11.217 23.392 1.00 21.91 O ATOM 468 CB PRO A 70 109.974 -11.099 25.304 1.00 26.52 C ATOM 469 CG PRO A 70 109.563 -12.206 26.174 1.00 25.46 C ATOM 470 CD PRO A 70 108.725 -13.154 25.328 1.00 26.68 C ATOM 471 N THR A 71 112.045 -13.402 23.792 1.00 18.62 N ATOM 472 CA THR A 71 113.397 -13.776 23.402 1.00 19.52 C ATOM 473 C THR A 71 113.446 -14.439 22.023 1.00 18.54 C ATOM 474 O THR A 71 114.537 -14.763 21.545 1.00 19.14 O ATOM 475 CB THR A 71 114.066 -14.706 24.409 1.00 21.93 C ATOM 476 OG1 THR A 71 113.480 -16.022 24.323 1.00 24.15 O ATOM 477 CG2 THR A 71 113.934 -14.196 25.830 1.00 23.56 C ATOM 478 HG1 THR A 71 112.512 -15.965 24.522 1.00 0.00 H ATOM 479 H THR A 71 111.382 -14.128 24.131 1.00 0.00 H ATOM 480 N GLY A 72 112.290 -14.659 21.384 1.00 16.47 N ATOM 481 CA GLY A 72 112.252 -15.312 20.089 1.00 15.81 C ATOM 482 C GLY A 72 112.431 -14.341 18.967 1.00 15.53 C ATOM 483 O GLY A 72 112.481 -13.120 19.166 1.00 15.35 O ATOM 484 H GLY A 72 111.399 -14.355 21.826 1.00 0.00 H ATOM 485 N ASN A 73 112.555 -14.908 17.772 1.00 13.65 N ATOM 486 CA ASN A 73 112.759 -14.085 16.601 1.00 14.10 C ATOM 487 C ASN A 73 111.953 -14.604 15.414 1.00 14.23 C ATOM 488 O ASN A 73 111.684 -15.807 15.288 1.00 14.64 O ATOM 489 CB ASN A 73 114.231 -14.065 16.174 1.00 14.48 C ATOM 490 CG ASN A 73 115.167 -13.476 17.206 1.00 14.04 C ATOM 491 OD1 ASN A 73 115.377 -12.276 17.235 1.00 15.45 O ATOM 492 ND2 ASN A 73 115.747 -14.324 18.044 1.00 15.87 N ATOM 493 HD22 ASN A 73 115.538 -15.341 17.983 1.00 0.00 H ATOM 494 HD21 ASN A 73 116.411 -13.972 18.763 1.00 0.00 H ATOM 495 H ASN A 73 112.505 -15.943 17.679 1.00 0.00 H ATOM 496 N ILE A 74 111.562 -13.679 14.543 1.00 14.88 N ATOM 497 CA ILE A 74 110.892 -13.990 13.285 1.00 15.05 C ATOM 498 C ILE A 74 111.726 -13.425 12.148 1.00 14.62 C ATOM 499 O ILE A 74 112.154 -12.262 12.204 1.00 15.51 O ATOM 500 CB ILE A 74 109.479 -13.385 13.263 1.00 15.36 C ATOM 501 CG1 ILE A 74 108.614 -14.036 14.313 1.00 17.25 C ATOM 502 CG2 ILE A 74 108.857 -13.489 11.864 1.00 16.11 C ATOM 503 CD1 ILE A 74 107.316 -13.300 14.605 1.00 19.46 C ATOM 504 H ILE A 74 111.743 -12.681 14.771 1.00 0.00 H ATOM 505 N LEU A 75 111.959 -14.248 11.125 1.00 14.85 N ATOM 506 CA LEU A 75 112.620 -13.818 9.903 1.00 14.22 C ATOM 507 C LEU A 75 111.708 -14.104 8.720 1.00 14.03 C ATOM 508 O LEU A 75 111.168 -15.207 8.607 1.00 15.68 O ATOM 509 CB LEU A 75 113.945 -14.562 9.689 1.00 14.68 C ATOM 510 CG LEU A 75 114.719 -14.192 8.430 1.00 14.97 C ATOM 511 CD1 LEU A 75 115.259 -12.812 8.548 1.00 16.31 C ATOM 512 CD2 LEU A 75 115.862 -15.206 8.211 1.00 17.16 C ATOM 513 H LEU A 75 111.655 -15.239 11.204 1.00 0.00 H ATOM 514 N ALA A 76 111.494 -13.120 7.859 1.00 13.93 N ATOM 515 CA ALA A 76 110.644 -13.335 6.696 1.00 13.57 C ATOM 516 C ALA A 76 111.307 -12.795 5.441 1.00 13.92 C ATOM 517 O ALA A 76 111.984 -11.760 5.473 1.00 15.35 O ATOM 518 CB ALA A 76 109.314 -12.597 6.879 1.00 16.84 C ATOM 519 H ALA A 76 111.935 -12.191 8.014 1.00 0.00 H ATOM 520 N PHE A 77 111.123 -13.515 4.337 1.00 14.36 N ATOM 521 CA PHE A 77 111.578 -13.060 3.019 1.00 14.09 C ATOM 522 C PHE A 77 110.485 -12.189 2.409 1.00 13.93 C ATOM 523 O PHE A 77 109.455 -12.691 1.959 1.00 16.07 O ATOM 524 CB PHE A 77 111.910 -14.262 2.150 1.00 15.49 C ATOM 525 CG PHE A 77 112.184 -13.919 0.715 1.00 14.96 C ATOM 526 CD1 PHE A 77 111.749 -14.765 -0.299 1.00 16.30 C ATOM 527 CD2 PHE A 77 112.872 -12.748 0.386 1.00 16.56 C ATOM 528 CE1 PHE A 77 111.990 -14.448 -1.608 1.00 17.38 C ATOM 529 CE2 PHE A 77 113.128 -12.439 -0.941 1.00 17.54 C ATOM 530 CZ PHE A 77 112.703 -13.301 -1.929 1.00 17.80 C ATOM 531 H PHE A 77 110.639 -14.433 4.411 1.00 0.00 H ATOM 532 N VAL A 78 110.706 -10.881 2.432 1.00 14.64 N ATOM 533 CA VAL A 78 109.676 -9.917 2.052 1.00 15.22 C ATOM 534 C VAL A 78 109.935 -9.312 0.676 1.00 14.90 C ATOM 535 O VAL A 78 108.997 -8.837 0.028 1.00 16.20 O ATOM 536 CB VAL A 78 109.479 -8.819 3.117 1.00 15.40 C ATOM 537 CG1 VAL A 78 109.251 -9.480 4.488 1.00 16.37 C ATOM 538 CG2 VAL A 78 110.674 -7.894 3.221 1.00 15.58 C ATOM 539 H VAL A 78 111.639 -10.532 2.729 1.00 0.00 H ATOM 540 N SER A 79 111.192 -9.256 0.255 1.00 14.81 N ATOM 541 CA SER A 79 111.556 -8.681 -1.065 1.00 14.78 C ATOM 542 C SER A 79 111.048 -7.233 -1.122 1.00 15.08 C ATOM 543 O SER A 79 111.026 -6.539 -0.088 1.00 15.91 O ATOM 544 CB SER A 79 111.122 -9.583 -2.233 1.00 15.70 C ATOM 545 OG SER A 79 111.574 -9.113 -3.493 1.00 16.41 O ATOM 546 HG SER A 79 112.563 -9.074 -3.494 1.00 0.00 H ATOM 547 H SER A 79 111.946 -9.626 0.868 1.00 0.00 H ATOM 548 N TRP A 80 110.617 -6.770 -2.299 1.00 15.95 N ATOM 549 CA TRP A 80 110.283 -5.375 -2.572 1.00 15.75 C ATOM 550 C TRP A 80 109.259 -5.386 -3.697 1.00 17.24 C ATOM 551 O TRP A 80 109.492 -5.972 -4.764 1.00 18.77 O ATOM 552 CB TRP A 80 111.545 -4.657 -3.019 1.00 16.54 C ATOM 553 CG TRP A 80 111.400 -3.220 -3.387 1.00 15.79 C ATOM 554 CD1 TRP A 80 110.406 -2.383 -3.034 1.00 17.53 C ATOM 555 CD2 TRP A 80 112.320 -2.462 -4.159 1.00 16.62 C ATOM 556 NE1 TRP A 80 110.631 -1.127 -3.553 1.00 18.76 N ATOM 557 CE2 TRP A 80 111.816 -1.141 -4.234 1.00 17.74 C ATOM 558 CE3 TRP A 80 113.533 -2.757 -4.771 1.00 17.22 C ATOM 559 CZ2 TRP A 80 112.478 -0.130 -4.931 1.00 18.72 C ATOM 560 CZ3 TRP A 80 114.183 -1.759 -5.447 1.00 17.77 C ATOM 561 CH2 TRP A 80 113.654 -0.457 -5.524 1.00 18.11 C ATOM 562 HE1 TRP A 80 110.003 -0.305 -3.445 1.00 0.00 H ATOM 563 H TRP A 80 110.512 -7.452 -3.077 1.00 0.00 H ATOM 564 N ARG A 81 108.151 -4.680 -3.474 1.00 18.11 N ATOM 565 CA ARG A 81 107.101 -4.571 -4.484 1.00 18.84 C ATOM 566 C ARG A 81 107.660 -4.105 -5.819 1.00 19.58 C ATOM 567 O ARG A 81 107.215 -4.548 -6.886 1.00 20.48 O ATOM 568 CB ARG A 81 106.065 -3.554 -4.011 1.00 20.54 C ATOM 569 CG ARG A 81 104.836 -3.436 -4.888 1.00 21.67 C ATOM 570 CD ARG A 81 103.987 -2.235 -4.469 1.00 22.92 C ATOM 571 NE ARG A 81 104.610 -0.991 -4.890 1.00 24.45 N ATOM 572 CZ ARG A 81 104.120 0.218 -4.671 1.00 25.33 C ATOM 573 NH1 ARG A 81 103.002 0.369 -3.983 1.00 26.86 N ATOM 574 NH2 ARG A 81 104.774 1.267 -5.148 1.00 24.89 N ATOM 575 HE ARG A 81 105.512 -1.057 -5.404 1.00 0.00 H ATOM 576 HH12 ARG A 81 102.620 1.321 -3.813 1.00 0.00 H ATOM 577 HH11 ARG A 81 102.504 -0.465 -3.611 1.00 0.00 H ATOM 578 HH22 ARG A 81 104.406 2.226 -4.987 1.00 0.00 H ATOM 579 HH21 ARG A 81 105.655 1.131 -5.683 1.00 0.00 H ATOM 580 H ARG A 81 108.031 -4.196 -2.561 1.00 0.00 H ATOM 581 N ASP A 82 108.621 -3.194 -5.775 1.00 17.94 N ATOM 582 CA ASP A 82 109.094 -2.523 -6.979 1.00 17.92 C ATOM 583 C ASP A 82 110.527 -2.914 -7.344 1.00 17.53 C ATOM 584 O ASP A 82 111.282 -2.132 -7.926 1.00 19.95 O ATOM 585 CB ASP A 82 108.948 -1.010 -6.842 1.00 19.80 C ATOM 586 CG ASP A 82 107.528 -0.580 -6.554 1.00 24.04 C ATOM 587 OD1 ASP A 82 106.605 -1.145 -7.157 1.00 26.22 O ATOM 588 OD2 ASP A 82 107.354 0.322 -5.731 1.00 27.61 O ATOM 589 H ASP A 82 109.048 -2.952 -4.858 1.00 0.00 H ATOM 590 N SER A 83 110.915 -4.143 -7.076 1.00 16.70 N ATOM 591 CA SER A 83 112.250 -4.553 -7.470 1.00 17.36 C ATOM 592 C SER A 83 112.364 -4.548 -8.999 1.00 17.16 C ATOM 593 O SER A 83 111.573 -5.225 -9.667 1.00 18.10 O ATOM 594 CB SER A 83 112.528 -5.957 -6.936 1.00 17.99 C ATOM 595 OG SER A 83 113.786 -6.382 -7.430 1.00 19.29 O ATOM 596 HG SER A 83 113.981 -7.292 -7.092 1.00 0.00 H ATOM 597 H SER A 83 110.278 -4.807 -6.592 1.00 0.00 H ATOM 598 N PRO A 84 113.368 -3.920 -9.563 1.00 17.64 N ATOM 599 CA PRO A 84 113.543 -3.903 -11.030 1.00 17.67 C ATOM 600 C PRO A 84 114.289 -5.134 -11.552 1.00 18.46 C ATOM 601 O PRO A 84 115.184 -5.019 -12.404 1.00 19.90 O ATOM 602 CB PRO A 84 114.324 -2.624 -11.259 1.00 18.83 C ATOM 603 CG PRO A 84 115.209 -2.554 -10.064 1.00 18.52 C ATOM 604 CD PRO A 84 114.358 -3.039 -8.926 1.00 19.19 C ATOM 605 N TYR A 85 113.930 -6.307 -11.041 1.00 18.96 N ATOM 606 CA TYR A 85 114.613 -7.541 -11.417 1.00 18.57 C ATOM 607 C TYR A 85 114.435 -7.848 -12.894 1.00 20.05 C ATOM 608 O TYR A 85 115.414 -7.947 -13.630 1.00 19.26 O ATOM 609 CB TYR A 85 114.070 -8.668 -10.539 1.00 17.89 C ATOM 610 CG TYR A 85 114.775 -9.972 -10.700 1.00 17.49 C ATOM 611 CD1 TYR A 85 115.880 -10.293 -9.912 1.00 18.90 C ATOM 612 CD2 TYR A 85 114.308 -10.917 -11.602 1.00 18.57 C ATOM 613 CE1 TYR A 85 116.528 -11.521 -10.051 1.00 19.46 C ATOM 614 CE2 TYR A 85 114.962 -12.146 -11.748 1.00 17.75 C ATOM 615 CZ TYR A 85 116.064 -12.423 -10.963 1.00 18.75 C ATOM 616 OH TYR A 85 116.729 -13.625 -11.081 1.00 19.77 O ATOM 617 HH TYR A 85 117.487 -13.646 -10.444 1.00 0.00 H ATOM 618 H TYR A 85 113.146 -6.347 -10.359 1.00 0.00 H ATOM 619 N GLU A 86 113.191 -8.036 -13.338 1.00 20.75 N ATOM 620 CA GLU A 86 112.954 -8.367 -14.740 1.00 22.30 C ATOM 621 C GLU A 86 113.474 -7.274 -15.666 1.00 22.60 C ATOM 622 O GLU A 86 113.997 -7.564 -16.750 1.00 23.64 O ATOM 623 CB GLU A 86 111.458 -8.598 -14.949 1.00 28.48 C ATOM 624 CG GLU A 86 110.867 -9.801 -14.196 1.00 32.13 C ATOM 625 CD GLU A 86 110.199 -9.455 -12.859 1.00 35.97 C ATOM 626 OE1 GLU A 86 110.372 -8.330 -12.331 1.00 38.36 O ATOM 627 OE2 GLU A 86 109.497 -10.338 -12.327 1.00 38.21 O ATOM 628 H GLU A 86 112.388 -7.946 -12.683 1.00 0.00 H ATOM 629 N GLN A 87 113.361 -6.014 -15.248 1.00 22.89 N ATOM 630 CA GLN A 87 113.753 -4.899 -16.098 1.00 24.55 C ATOM 631 C GLN A 87 115.254 -4.779 -16.279 1.00 24.13 C ATOM 632 O GLN A 87 115.683 -4.121 -17.230 1.00 26.50 O ATOM 633 CB GLN A 87 113.213 -3.602 -15.492 1.00 25.43 C ATOM 634 CG GLN A 87 111.688 -3.541 -15.405 1.00 27.14 C ATOM 635 CD GLN A 87 111.090 -4.160 -14.155 1.00 27.61 C ATOM 636 OE1 GLN A 87 111.740 -4.902 -13.443 1.00 26.06 O ATOM 637 NE2 GLN A 87 109.822 -3.861 -13.899 1.00 28.82 N ATOM 638 HE22 GLN A 87 109.300 -3.222 -14.532 1.00 0.00 H ATOM 639 HE21 GLN A 87 109.350 -4.266 -13.065 1.00 0.00 H ATOM 640 H GLN A 87 112.986 -5.823 -14.297 1.00 0.00 H ATOM 641 N THR A 88 116.060 -5.376 -15.401 1.00 21.26 N ATOM 642 CA THR A 88 117.502 -5.272 -15.514 1.00 20.87 C ATOM 643 C THR A 88 118.157 -6.623 -15.750 1.00 20.58 C ATOM 644 O THR A 88 119.377 -6.673 -15.951 1.00 21.28 O ATOM 645 CB THR A 88 118.115 -4.642 -14.267 1.00 19.94 C ATOM 646 OG1 THR A 88 117.917 -5.518 -13.145 1.00 18.68 O ATOM 647 CG2 THR A 88 117.478 -3.291 -13.954 1.00 19.98 C ATOM 648 HG1 THR A 88 116.947 -5.657 -13.004 1.00 0.00 H ATOM 649 H THR A 88 115.647 -5.926 -14.621 1.00 0.00 H ATOM 650 N LEU A 89 117.381 -7.708 -15.739 1.00 20.90 N ATOM 651 CA LEU A 89 117.930 -9.058 -15.843 1.00 20.86 C ATOM 652 C LEU A 89 118.663 -9.242 -17.164 1.00 21.69 C ATOM 653 O LEU A 89 118.128 -8.941 -18.235 1.00 22.64 O ATOM 654 CB LEU A 89 116.796 -10.070 -15.761 1.00 21.31 C ATOM 655 CG LEU A 89 117.147 -11.556 -15.710 1.00 23.15 C ATOM 656 CD1 LEU A 89 117.996 -11.839 -14.478 1.00 25.17 C ATOM 657 CD2 LEU A 89 115.897 -12.420 -15.723 1.00 23.74 C ATOM 658 H LEU A 89 116.351 -7.589 -15.654 1.00 0.00 H ATOM 659 N GLY A 90 119.889 -9.751 -17.085 1.00 23.01 N ATOM 660 CA GLY A 90 120.646 -10.069 -18.280 1.00 23.99 C ATOM 661 C GLY A 90 121.411 -8.918 -18.887 1.00 25.13 C ATOM 662 O GLY A 90 122.128 -9.127 -19.875 1.00 28.70 O ATOM 663 H GLY A 90 120.312 -9.924 -16.151 1.00 0.00 H ATOM 664 N HIS A 91 121.282 -7.717 -18.348 1.00 23.59 N ATOM 665 CA HIS A 91 121.996 -6.555 -18.854 1.00 24.68 C ATOM 666 C HIS A 91 123.231 -6.273 -18.006 1.00 24.31 C ATOM 667 O HIS A 91 123.251 -6.525 -16.800 1.00 24.55 O ATOM 668 CB HIS A 91 121.105 -5.308 -18.865 1.00 26.44 C ATOM 669 CG HIS A 91 119.883 -5.439 -19.713 1.00 27.09 C ATOM 670 ND1 HIS A 91 119.914 -5.278 -21.084 1.00 30.35 N ATOM 671 CD2 HIS A 91 118.598 -5.720 -19.395 1.00 27.53 C ATOM 672 CE1 HIS A 91 118.698 -5.452 -21.569 1.00 31.36 C ATOM 673 NE2 HIS A 91 117.880 -5.719 -20.566 1.00 29.65 N ATOM 674 H HIS A 91 120.647 -7.599 -17.533 1.00 0.00 H ATOM 675 N ASP A 92 124.285 -5.760 -18.642 1.00 28.00 N ATOM 676 CA ASP A 92 125.465 -5.399 -17.857 1.00 30.60 C ATOM 677 C ASP A 92 125.304 -4.082 -17.117 1.00 28.13 C ATOM 678 O ASP A 92 126.164 -3.739 -16.295 1.00 29.32 O ATOM 679 CB ASP A 92 126.727 -5.399 -18.727 1.00 37.24 C ATOM 680 CG ASP A 92 126.607 -4.514 -19.948 1.00 46.03 C ATOM 681 OD1 ASP A 92 125.637 -3.740 -20.038 1.00 49.67 O ATOM 682 OD2 ASP A 92 127.493 -4.597 -20.823 1.00 48.90 O ATOM 683 H ASP A 92 124.268 -5.620 -19.672 1.00 0.00 H ATOM 684 N ALA A 93 124.207 -3.368 -17.365 1.00 26.27 N ATOM 685 CA ALA A 93 123.895 -2.126 -16.675 1.00 26.17 C ATOM 686 C ALA A 93 122.403 -1.919 -16.787 1.00 25.47 C ATOM 687 O ALA A 93 121.789 -2.433 -17.722 1.00 27.40 O ATOM 688 CB ALA A 93 124.626 -0.940 -17.321 1.00 27.01 C ATOM 689 H ALA A 93 123.542 -3.715 -18.086 1.00 0.00 H ATOM 690 N PRO A 94 121.788 -1.182 -15.862 1.00 24.11 N ATOM 691 CA PRO A 94 120.361 -0.895 -15.991 1.00 25.33 C ATOM 692 C PRO A 94 120.098 -0.153 -17.288 1.00 25.22 C ATOM 693 O PRO A 94 120.836 0.785 -17.622 1.00 26.06 O ATOM 694 CB PRO A 94 120.053 -0.019 -14.763 1.00 26.00 C ATOM 695 CG PRO A 94 121.351 0.537 -14.336 1.00 25.39 C ATOM 696 CD PRO A 94 122.404 -0.485 -14.719 1.00 24.02 C ATOM 697 N PRO A 95 119.065 -0.543 -18.031 1.00 24.85 N ATOM 698 CA PRO A 95 118.691 0.220 -19.230 1.00 25.12 C ATOM 699 C PRO A 95 118.440 1.675 -18.877 1.00 25.65 C ATOM 700 O PRO A 95 117.959 1.998 -17.793 1.00 24.85 O ATOM 701 CB PRO A 95 117.405 -0.462 -19.707 1.00 25.91 C ATOM 702 CG PRO A 95 117.519 -1.867 -19.203 1.00 27.23 C ATOM 703 CD PRO A 95 118.263 -1.772 -17.865 1.00 25.58 C ATOM 704 N ALA A 96 118.734 2.555 -19.836 1.00 26.88 N ATOM 705 CA ALA A 96 118.743 3.993 -19.581 1.00 27.69 C ATOM 706 C ALA A 96 117.464 4.494 -18.923 1.00 27.25 C ATOM 707 O ALA A 96 117.522 5.251 -17.953 1.00 26.87 O ATOM 708 CB ALA A 96 118.980 4.734 -20.897 1.00 27.36 C ATOM 709 H ALA A 96 118.963 2.208 -20.789 1.00 0.00 H ATOM 710 N ALA A 97 116.304 4.059 -19.414 1.00 28.36 N ATOM 711 CA ALA A 97 115.048 4.589 -18.898 1.00 29.68 C ATOM 712 C ALA A 97 114.820 4.122 -17.471 1.00 28.17 C ATOM 713 O ALA A 97 114.289 4.867 -16.645 1.00 29.28 O ATOM 714 CB ALA A 97 113.888 4.176 -19.806 1.00 31.13 C ATOM 715 H ALA A 97 116.295 3.341 -20.166 1.00 0.00 H ATOM 716 N ILE A 98 115.208 2.885 -17.179 1.00 26.22 N ATOM 717 CA ILE A 98 115.143 2.368 -15.817 1.00 26.06 C ATOM 718 C ILE A 98 116.100 3.130 -14.921 1.00 24.31 C ATOM 719 O ILE A 98 115.749 3.528 -13.802 1.00 22.86 O ATOM 720 CB ILE A 98 115.494 0.869 -15.833 1.00 25.67 C ATOM 721 CG1 ILE A 98 114.522 0.075 -16.708 1.00 27.55 C ATOM 722 CG2 ILE A 98 115.538 0.320 -14.394 1.00 25.19 C ATOM 723 CD1 ILE A 98 113.086 0.118 -16.283 1.00 30.84 C ATOM 724 H ILE A 98 115.566 2.272 -17.939 1.00 0.00 H ATOM 725 N ALA A 99 117.346 3.279 -15.366 1.00 24.88 N ATOM 726 CA ALA A 99 118.379 3.918 -14.563 1.00 26.13 C ATOM 727 C ALA A 99 117.962 5.322 -14.152 1.00 25.16 C ATOM 728 O ALA A 99 118.262 5.766 -13.035 1.00 25.09 O ATOM 729 CB ALA A 99 119.696 3.974 -15.354 1.00 28.59 C ATOM 730 H ALA A 99 117.589 2.929 -16.315 1.00 0.00 H ATOM 731 N GLN A 100 117.301 6.054 -15.061 1.00 25.34 N ATOM 732 CA GLN A 100 117.010 7.448 -14.757 1.00 26.90 C ATOM 733 C GLN A 100 115.944 7.598 -13.678 1.00 24.57 C ATOM 734 O GLN A 100 116.041 8.508 -12.849 1.00 26.68 O ATOM 735 CB GLN A 100 116.595 8.254 -15.991 1.00 30.47 C ATOM 736 CG GLN A 100 116.169 9.674 -15.516 1.00 37.24 C ATOM 737 CD GLN A 100 115.986 10.711 -16.603 1.00 40.74 C ATOM 738 OE1 GLN A 100 116.480 11.833 -16.484 1.00 41.58 O ATOM 739 NE2 GLN A 100 115.220 10.375 -17.620 1.00 42.60 N ATOM 740 HE22 GLN A 100 114.825 9.415 -17.678 1.00 0.00 H ATOM 741 HE21 GLN A 100 115.010 11.070 -18.365 1.00 0.00 H ATOM 742 H GLN A 100 117.002 5.634 -15.965 1.00 0.00 H ATOM 743 N SER A 101 114.895 6.767 -13.691 1.00 21.21 N ATOM 744 CA SER A 101 113.707 7.079 -12.908 1.00 21.37 C ATOM 745 C SER A 101 113.367 6.068 -11.825 1.00 21.07 C ATOM 746 O SER A 101 112.441 6.317 -11.045 1.00 21.42 O ATOM 747 CB SER A 101 112.487 7.234 -13.826 1.00 23.60 C ATOM 748 OG SER A 101 112.132 6.019 -14.450 1.00 26.06 O ATOM 749 HG SER A 101 111.343 6.165 -15.030 1.00 0.00 H ATOM 750 H SER A 101 114.928 5.898 -14.261 1.00 0.00 H ATOM 751 N TRP A 102 114.052 4.945 -11.730 1.00 20.31 N ATOM 752 CA TRP A 102 113.646 3.983 -10.719 1.00 19.98 C ATOM 753 C TRP A 102 113.914 4.541 -9.322 1.00 19.51 C ATOM 754 O TRP A 102 114.993 5.099 -9.071 1.00 20.38 O ATOM 755 CB TRP A 102 114.385 2.656 -10.901 1.00 20.24 C ATOM 756 CG TRP A 102 113.493 1.532 -10.445 1.00 19.08 C ATOM 757 CD1 TRP A 102 113.408 0.982 -9.177 1.00 18.81 C ATOM 758 CD2 TRP A 102 112.498 0.871 -11.227 1.00 19.55 C ATOM 759 NE1 TRP A 102 112.404 0.059 -9.137 1.00 18.68 N ATOM 760 CE2 TRP A 102 111.881 -0.086 -10.398 1.00 19.38 C ATOM 761 CE3 TRP A 102 112.096 0.956 -12.566 1.00 19.93 C ATOM 762 CZ2 TRP A 102 110.855 -0.920 -10.856 1.00 20.61 C ATOM 763 CZ3 TRP A 102 111.096 0.109 -13.018 1.00 20.51 C ATOM 764 CH2 TRP A 102 110.495 -0.816 -12.177 1.00 22.31 C ATOM 765 HE1 TRP A 102 112.086 -0.452 -8.289 1.00 0.00 H ATOM 766 H TRP A 102 114.858 4.754 -12.359 1.00 0.00 H ATOM 767 N PRO A 103 112.985 4.349 -8.370 1.00 19.84 N ATOM 768 CA PRO A 103 113.277 4.729 -6.986 1.00 20.17 C ATOM 769 C PRO A 103 114.386 3.885 -6.380 1.00 19.75 C ATOM 770 O PRO A 103 114.401 2.658 -6.525 1.00 20.18 O ATOM 771 CB PRO A 103 111.941 4.491 -6.255 1.00 20.95 C ATOM 772 CG PRO A 103 111.209 3.482 -7.039 1.00 21.33 C ATOM 773 CD PRO A 103 111.636 3.756 -8.511 1.00 20.41 C ATOM 774 N ALA A 104 115.282 4.544 -5.645 1.00 20.03 N ATOM 775 CA ALA A 104 116.238 3.811 -4.826 1.00 19.94 C ATOM 776 C ALA A 104 115.490 3.009 -3.769 1.00 19.86 C ATOM 777 O ALA A 104 114.449 3.429 -3.269 1.00 20.02 O ATOM 778 CB ALA A 104 117.196 4.758 -4.120 1.00 23.07 C ATOM 779 H ALA A 104 115.298 5.584 -5.656 1.00 0.00 H ATOM 780 N PHE A 105 115.998 1.814 -3.478 1.00 18.63 N ATOM 781 CA PHE A 105 115.451 1.006 -2.393 1.00 18.01 C ATOM 782 C PHE A 105 115.653 1.679 -1.043 1.00 19.71 C ATOM 783 O PHE A 105 116.780 1.980 -0.648 1.00 21.98 O ATOM 784 CB PHE A 105 116.125 -0.356 -2.400 1.00 17.96 C ATOM 785 CG PHE A 105 115.649 -1.275 -1.299 1.00 17.60 C ATOM 786 CD1 PHE A 105 114.356 -1.802 -1.293 1.00 17.94 C ATOM 787 CD2 PHE A 105 116.498 -1.625 -0.268 1.00 18.08 C ATOM 788 CE1 PHE A 105 113.930 -2.655 -0.287 1.00 18.31 C ATOM 789 CE2 PHE A 105 116.060 -2.498 0.761 1.00 19.67 C ATOM 790 CZ PHE A 105 114.801 -3.012 0.726 1.00 18.36 C ATOM 791 H PHE A 105 116.798 1.450 -4.033 1.00 0.00 H ATOM 792 N ASP A 106 114.559 1.952 -0.357 1.00 19.12 N ATOM 793 CA ASP A 106 114.626 2.621 0.931 1.00 20.12 C ATOM 794 C ASP A 106 114.067 1.615 1.919 1.00 20.98 C ATOM 795 O ASP A 106 112.858 1.361 1.921 1.00 20.12 O ATOM 796 CB ASP A 106 113.781 3.895 0.930 1.00 24.08 C ATOM 797 CG ASP A 106 113.937 4.665 2.208 1.00 29.43 C ATOM 798 OD1 ASP A 106 114.267 4.011 3.230 1.00 30.68 O ATOM 799 OD2 ASP A 106 113.718 5.897 2.200 1.00 32.59 O ATOM 800 H ASP A 106 113.632 1.683 -0.745 1.00 0.00 H ATOM 801 N PRO A 107 114.903 0.979 2.740 1.00 21.17 N ATOM 802 CA PRO A 107 114.389 -0.125 3.571 1.00 21.07 C ATOM 803 C PRO A 107 113.298 0.303 4.534 1.00 20.69 C ATOM 804 O PRO A 107 112.434 -0.517 4.870 1.00 21.51 O ATOM 805 CB PRO A 107 115.634 -0.621 4.321 1.00 22.36 C ATOM 806 CG PRO A 107 116.650 0.459 4.194 1.00 25.59 C ATOM 807 CD PRO A 107 116.356 1.147 2.866 1.00 24.50 C ATOM 808 N ASP A 108 113.283 1.575 4.955 1.00 21.93 N ATOM 809 CA ASP A 108 112.256 2.030 5.882 1.00 24.37 C ATOM 810 C ASP A 108 110.892 2.198 5.216 1.00 23.54 C ATOM 811 O ASP A 108 109.868 2.148 5.905 1.00 26.34 O ATOM 812 CB ASP A 108 112.688 3.352 6.541 1.00 28.36 C ATOM 813 CG ASP A 108 113.918 3.194 7.441 1.00 32.07 C ATOM 814 OD1 ASP A 108 114.009 2.179 8.161 1.00 33.41 O ATOM 815 OD2 ASP A 108 114.793 4.096 7.428 1.00 36.03 O ATOM 816 H ASP A 108 114.008 2.240 4.618 1.00 0.00 H ATOM 817 N HIS A 109 110.839 2.401 3.897 1.00 21.44 N ATOM 818 CA HIS A 109 109.587 2.753 3.235 1.00 22.55 C ATOM 819 C HIS A 109 109.171 1.859 2.083 1.00 23.88 C ATOM 820 O HIS A 109 108.007 1.924 1.681 1.00 27.40 O ATOM 821 CB HIS A 109 109.654 4.216 2.763 1.00 25.54 C ATOM 822 CG HIS A 109 109.974 5.158 3.880 1.00 29.42 C ATOM 823 ND1 HIS A 109 111.248 5.614 4.140 1.00 31.80 N ATOM 824 CD2 HIS A 109 109.193 5.640 4.874 1.00 32.74 C ATOM 825 CE1 HIS A 109 111.228 6.369 5.225 1.00 33.73 C ATOM 826 NE2 HIS A 109 109.990 6.413 5.679 1.00 34.53 N ATOM 827 H HIS A 109 111.706 2.306 3.331 1.00 0.00 H ATOM 828 N ALA A 110 110.031 0.986 1.596 1.00 21.34 N ATOM 829 CA ALA A 110 109.705 0.191 0.419 1.00 20.04 C ATOM 830 C ALA A 110 108.748 -0.929 0.793 1.00 20.43 C ATOM 831 O ALA A 110 109.078 -1.756 1.658 1.00 20.45 O ATOM 832 CB ALA A 110 110.989 -0.427 -0.111 1.00 20.27 C ATOM 833 H ALA A 110 110.955 0.863 2.058 1.00 0.00 H ATOM 834 N PRO A 111 107.597 -1.040 0.152 1.00 19.27 N ATOM 835 CA PRO A 111 106.670 -2.117 0.505 1.00 18.11 C ATOM 836 C PRO A 111 107.183 -3.487 0.091 1.00 17.85 C ATOM 837 O PRO A 111 107.977 -3.625 -0.850 1.00 17.85 O ATOM 838 CB PRO A 111 105.391 -1.763 -0.257 1.00 20.24 C ATOM 839 CG PRO A 111 105.722 -0.675 -1.174 1.00 23.75 C ATOM 840 CD PRO A 111 106.991 -0.012 -0.732 1.00 20.43 C ATOM 841 N ALA A 112 106.716 -4.502 0.818 1.00 17.52 N ATOM 842 CA ALA A 112 107.011 -5.892 0.516 1.00 18.42 C ATOM 843 C ALA A 112 106.400 -6.283 -0.822 1.00 19.96 C ATOM 844 O ALA A 112 105.484 -5.630 -1.328 1.00 20.73 O ATOM 845 CB ALA A 112 106.405 -6.781 1.602 1.00 19.02 C ATOM 846 H ALA A 112 106.113 -4.289 1.638 1.00 0.00 H ATOM 847 N TYR A 113 106.909 -7.369 -1.392 1.00 18.65 N ATOM 848 CA TYR A 113 106.396 -7.870 -2.661 1.00 20.97 C ATOM 849 C TYR A 113 105.113 -8.663 -2.443 1.00 23.20 C ATOM 850 O TYR A 113 105.145 -9.709 -1.790 1.00 24.55 O ATOM 851 CB TYR A 113 107.435 -8.781 -3.302 1.00 22.14 C ATOM 852 CG TYR A 113 107.014 -9.349 -4.645 1.00 24.20 C ATOM 853 CD1 TYR A 113 106.799 -8.521 -5.730 1.00 27.39 C ATOM 854 CD2 TYR A 113 106.834 -10.709 -4.821 1.00 27.29 C ATOM 855 CE1 TYR A 113 106.415 -9.035 -6.962 1.00 29.39 C ATOM 856 CE2 TYR A 113 106.447 -11.234 -6.044 1.00 29.72 C ATOM 857 CZ TYR A 113 106.238 -10.394 -7.104 1.00 31.46 C ATOM 858 OH TYR A 113 105.855 -10.922 -8.319 1.00 37.74 O ATOM 859 HH TYR A 113 106.549 -11.552 -8.637 1.00 0.00 H ATOM 860 H TYR A 113 107.689 -7.872 -0.924 1.00 0.00 H ATOM 861 N PRO A 114 103.984 -8.231 -2.994 1.00 25.13 N ATOM 862 CA PRO A 114 102.727 -8.940 -2.697 1.00 28.40 C ATOM 863 C PRO A 114 102.688 -10.395 -3.130 1.00 30.85 C ATOM 864 O PRO A 114 101.886 -11.158 -2.577 1.00 32.57 O ATOM 865 CB PRO A 114 101.662 -8.098 -3.417 1.00 29.80 C ATOM 866 CG PRO A 114 102.267 -6.740 -3.542 1.00 29.77 C ATOM 867 CD PRO A 114 103.760 -7.009 -3.777 1.00 27.26 C ATOM 868 N GLY A 115 103.523 -10.807 -4.084 1.00 31.36 N ATOM 869 CA GLY A 115 103.452 -12.152 -4.630 1.00 33.00 C ATOM 870 C GLY A 115 103.957 -13.240 -3.708 1.00 34.80 C ATOM 871 O GLY A 115 103.658 -14.418 -3.946 1.00 37.19 O ATOM 872 H GLY A 115 104.243 -10.150 -4.446 1.00 0.00 H ATOM 873 N PHE A 116 104.722 -12.884 -2.669 1.00 33.71 N ATOM 874 CA PHE A 116 105.263 -13.855 -1.726 1.00 32.66 C ATOM 875 C PHE A 116 104.409 -13.989 -0.474 1.00 35.50 C ATOM 876 O PHE A 116 104.804 -14.681 0.470 1.00 38.88 O ATOM 877 CB PHE A 116 106.711 -13.524 -1.352 1.00 30.42 C ATOM 878 CG PHE A 116 107.658 -13.495 -2.534 1.00 28.83 C ATOM 879 CD1 PHE A 116 107.370 -14.181 -3.704 1.00 29.85 C ATOM 880 CD2 PHE A 116 108.846 -12.796 -2.458 1.00 28.50 C ATOM 881 CE1 PHE A 116 108.255 -14.155 -4.776 1.00 30.13 C ATOM 882 CE2 PHE A 116 109.717 -12.758 -3.522 1.00 29.17 C ATOM 883 CZ PHE A 116 109.426 -13.445 -4.678 1.00 29.84 C ATOM 884 H PHE A 116 104.939 -11.876 -2.529 1.00 0.00 H ATOM 885 N GLY A 117 103.263 -13.322 -0.441 1.00 33.60 N ATOM 886 CA GLY A 117 102.388 -13.362 0.712 1.00 32.78 C ATOM 887 C GLY A 117 101.988 -11.996 1.222 1.00 29.99 C ATOM 888 O GLY A 117 102.838 -11.141 1.466 1.00 31.63 O ATOM 889 H GLY A 117 102.985 -12.754 -1.267 1.00 0.00 H ATOM 890 N ALA A 118 100.686 -11.775 1.381 1.00 28.39 N ATOM 891 CA ALA A 118 100.213 -10.501 1.905 1.00 27.06 C ATOM 892 C ALA A 118 100.604 -10.281 3.371 1.00 24.25 C ATOM 893 O ALA A 118 100.588 -9.142 3.828 1.00 24.08 O ATOM 894 CB ALA A 118 98.697 -10.379 1.714 1.00 29.62 C ATOM 895 H ALA A 118 100.001 -12.517 1.130 1.00 0.00 H ATOM 896 N ILE A 119 101.000 -11.324 4.108 1.00 21.07 N ATOM 897 CA ILE A 119 101.384 -11.132 5.503 1.00 20.32 C ATOM 898 C ILE A 119 102.683 -10.331 5.597 1.00 19.47 C ATOM 899 O ILE A 119 102.959 -9.675 6.613 1.00 19.57 O ATOM 900 CB ILE A 119 101.473 -12.480 6.246 1.00 21.22 C ATOM 901 CG1 ILE A 119 101.346 -12.222 7.753 1.00 21.84 C ATOM 902 CG2 ILE A 119 102.792 -13.171 5.950 1.00 21.78 C ATOM 903 CD1 ILE A 119 101.340 -13.477 8.579 1.00 24.77 C ATOM 904 H ILE A 119 101.034 -12.274 3.686 1.00 0.00 H ATOM 905 N ASN A 120 103.517 -10.383 4.559 1.00 18.54 N ATOM 906 CA ASN A 120 104.860 -9.835 4.699 1.00 18.50 C ATOM 907 C ASN A 120 104.867 -8.325 4.871 1.00 18.36 C ATOM 908 O ASN A 120 105.745 -7.794 5.563 1.00 18.74 O ATOM 909 CB ASN A 120 105.718 -10.302 3.525 1.00 18.82 C ATOM 910 CG ASN A 120 106.128 -11.739 3.667 1.00 20.39 C ATOM 911 OD1 ASN A 120 106.324 -12.223 4.783 1.00 21.83 O ATOM 912 ND2 ASN A 120 106.291 -12.427 2.548 1.00 21.00 N ATOM 913 HD22 ASN A 120 106.113 -11.974 1.629 1.00 0.00 H ATOM 914 HD21 ASN A 120 106.597 -13.420 2.588 1.00 0.00 H ATOM 915 H ASN A 120 103.213 -10.809 3.660 1.00 0.00 H ATOM 916 N GLU A 121 103.906 -7.607 4.288 1.00 19.01 N ATOM 917 CA GLU A 121 103.859 -6.168 4.515 1.00 19.19 C ATOM 918 C GLU A 121 103.476 -5.856 5.960 1.00 20.09 C ATOM 919 O GLU A 121 103.938 -4.854 6.514 1.00 20.21 O ATOM 920 CB GLU A 121 102.881 -5.543 3.516 1.00 21.03 C ATOM 921 CG GLU A 121 102.694 -4.026 3.616 1.00 23.02 C ATOM 922 CD GLU A 121 103.930 -3.219 3.291 1.00 21.94 C ATOM 923 OE1 GLU A 121 103.856 -1.968 3.341 1.00 25.55 O ATOM 924 OE2 GLU A 121 104.993 -3.796 2.973 1.00 20.43 O ATOM 925 H GLU A 121 103.200 -8.068 3.680 1.00 0.00 H ATOM 926 N PHE A 122 102.658 -6.708 6.587 1.00 19.90 N ATOM 927 CA PHE A 122 102.358 -6.542 8.010 1.00 20.41 C ATOM 928 C PHE A 122 103.583 -6.814 8.868 1.00 19.67 C ATOM 929 O PHE A 122 103.845 -6.093 9.835 1.00 20.40 O ATOM 930 CB PHE A 122 101.206 -7.465 8.414 1.00 21.71 C ATOM 931 CG PHE A 122 99.905 -7.092 7.780 1.00 23.21 C ATOM 932 CD1 PHE A 122 99.039 -6.230 8.426 1.00 24.31 C ATOM 933 CD2 PHE A 122 99.561 -7.577 6.534 1.00 25.07 C ATOM 934 CE1 PHE A 122 97.847 -5.866 7.847 1.00 26.54 C ATOM 935 CE2 PHE A 122 98.377 -7.211 5.936 1.00 26.12 C ATOM 936 CZ PHE A 122 97.512 -6.347 6.598 1.00 27.09 C ATOM 937 H PHE A 122 102.231 -7.496 6.059 1.00 0.00 H ATOM 938 N ILE A 123 104.343 -7.856 8.539 1.00 18.12 N ATOM 939 CA ILE A 123 105.566 -8.131 9.284 1.00 18.02 C ATOM 940 C ILE A 123 106.542 -6.962 9.188 1.00 17.41 C ATOM 941 O ILE A 123 107.076 -6.479 10.195 1.00 18.10 O ATOM 942 CB ILE A 123 106.199 -9.436 8.774 1.00 17.45 C ATOM 943 CG1 ILE A 123 105.274 -10.607 9.091 1.00 18.86 C ATOM 944 CG2 ILE A 123 107.581 -9.623 9.423 1.00 19.60 C ATOM 945 CD1 ILE A 123 105.777 -11.946 8.552 1.00 20.56 C ATOM 946 H ILE A 123 104.065 -8.474 7.750 1.00 0.00 H ATOM 947 N ARG A 124 106.836 -6.511 7.970 1.00 18.98 N ATOM 948 CA ARG A 124 107.889 -5.513 7.827 1.00 18.76 C ATOM 949 C ARG A 124 107.530 -4.160 8.432 1.00 20.46 C ATOM 950 O ARG A 124 108.437 -3.405 8.804 1.00 20.45 O ATOM 951 CB ARG A 124 108.295 -5.413 6.365 1.00 22.33 C ATOM 952 CG ARG A 124 107.363 -4.617 5.493 1.00 25.58 C ATOM 953 CD ARG A 124 107.979 -3.259 5.145 1.00 27.89 C ATOM 954 NE ARG A 124 107.022 -2.448 4.406 1.00 24.69 N ATOM 955 CZ ARG A 124 107.038 -1.126 4.368 1.00 25.61 C ATOM 956 NH1 ARG A 124 107.994 -0.465 4.988 1.00 25.41 N ATOM 957 NH2 ARG A 124 106.099 -0.478 3.710 1.00 27.17 N ATOM 958 HE ARG A 124 106.277 -2.940 3.873 1.00 0.00 H ATOM 959 HH12 ARG A 124 108.010 0.575 4.960 1.00 0.00 H ATOM 960 HH11 ARG A 124 108.733 -0.983 5.505 1.00 0.00 H ATOM 961 HH22 ARG A 124 106.109 0.561 3.678 1.00 0.00 H ATOM 962 HH21 ARG A 124 105.347 -1.006 3.222 1.00 0.00 H ATOM 963 H ARG A 124 106.324 -6.864 7.136 1.00 0.00 H ATOM 964 N THR A 125 106.248 -3.831 8.546 1.00 20.19 N ATOM 965 CA THR A 125 105.850 -2.575 9.176 1.00 21.47 C ATOM 966 C THR A 125 105.661 -2.691 10.688 1.00 22.60 C ATOM 967 O THR A 125 105.298 -1.697 11.342 1.00 23.27 O ATOM 968 CB THR A 125 104.564 -2.038 8.527 1.00 22.93 C ATOM 969 OG1 THR A 125 103.512 -3.003 8.611 1.00 23.89 O ATOM 970 CG2 THR A 125 104.789 -1.636 7.085 1.00 24.13 C ATOM 971 HG1 THR A 125 103.786 -3.830 8.141 1.00 0.00 H ATOM 972 H THR A 125 105.518 -4.476 8.182 1.00 0.00 H ATOM 973 N TYR A 126 105.856 -3.872 11.258 1.00 20.36 N ATOM 974 CA TYR A 126 105.722 -4.019 12.700 1.00 20.73 C ATOM 975 C TYR A 126 106.743 -3.142 13.414 1.00 22.23 C ATOM 976 O TYR A 126 107.897 -3.063 13.009 1.00 21.09 O ATOM 977 CB TYR A 126 105.923 -5.477 13.088 1.00 21.94 C ATOM 978 CG TYR A 126 105.509 -5.772 14.508 1.00 21.55 C ATOM 979 CD1 TYR A 126 106.449 -5.867 15.526 1.00 22.59 C ATOM 980 CD2 TYR A 126 104.177 -5.956 14.828 1.00 25.68 C ATOM 981 CE1 TYR A 126 106.068 -6.134 16.817 1.00 23.87 C ATOM 982 CE2 TYR A 126 103.790 -6.223 16.123 1.00 26.65 C ATOM 983 CZ TYR A 126 104.746 -6.312 17.101 1.00 26.01 C ATOM 984 OH TYR A 126 104.392 -6.579 18.408 1.00 29.19 O ATOM 985 HH TYR A 126 105.206 -6.606 18.970 1.00 0.00 H ATOM 986 H TYR A 126 106.105 -4.695 10.674 1.00 0.00 H ATOM 987 N PRO A 127 106.362 -2.452 14.480 1.00 23.91 N ATOM 988 CA PRO A 127 107.345 -1.598 15.152 1.00 24.17 C ATOM 989 C PRO A 127 108.578 -2.370 15.599 1.00 23.60 C ATOM 990 O PRO A 127 108.485 -3.438 16.199 1.00 25.69 O ATOM 991 CB PRO A 127 106.567 -1.039 16.351 1.00 27.14 C ATOM 992 CG PRO A 127 105.123 -1.142 15.941 1.00 27.69 C ATOM 993 CD PRO A 127 105.034 -2.400 15.107 1.00 25.00 C ATOM 994 N GLY A 128 109.742 -1.811 15.293 1.00 21.24 N ATOM 995 CA GLY A 128 111.002 -2.423 15.620 1.00 20.75 C ATOM 996 C GLY A 128 111.494 -3.439 14.616 1.00 20.33 C ATOM 997 O GLY A 128 112.607 -3.950 14.785 1.00 20.69 O ATOM 998 H GLY A 128 109.743 -0.896 14.798 1.00 0.00 H ATOM 999 N CYS A 129 110.712 -3.740 13.585 1.00 19.93 N ATOM 1000 CA CYS A 129 111.158 -4.685 12.577 1.00 19.96 C ATOM 1001 C CYS A 129 112.388 -4.109 11.911 1.00 19.02 C ATOM 1002 O CYS A 129 112.443 -2.913 11.614 1.00 22.41 O ATOM 1003 CB CYS A 129 110.054 -4.909 11.551 1.00 19.48 C ATOM 1004 SG CYS A 129 110.453 -6.243 10.401 1.00 18.60 S ATOM 1005 H CYS A 129 109.775 -3.296 13.500 1.00 0.00 H ATOM 1006 N ARG A 130 113.381 -4.953 11.664 1.00 17.40 N ATOM 1007 CA ARG A 130 114.560 -4.566 10.913 1.00 19.03 C ATOM 1008 C ARG A 130 114.466 -5.154 9.507 1.00 18.28 C ATOM 1009 O ARG A 130 113.831 -6.185 9.285 1.00 18.80 O ATOM 1010 CB ARG A 130 115.824 -5.074 11.606 1.00 21.20 C ATOM 1011 CG ARG A 130 115.962 -4.615 13.027 1.00 27.90 C ATOM 1012 CD ARG A 130 115.939 -3.106 13.163 1.00 35.28 C ATOM 1013 NE ARG A 130 116.321 -2.802 14.531 1.00 44.23 N ATOM 1014 CZ ARG A 130 117.568 -2.562 14.922 1.00 49.62 C ATOM 1015 NH1 ARG A 130 118.562 -2.546 14.040 1.00 51.23 N ATOM 1016 NH2 ARG A 130 117.821 -2.328 16.200 1.00 52.93 N ATOM 1017 HE ARG A 130 115.571 -2.770 15.250 1.00 0.00 H ATOM 1018 HH12 ARG A 130 119.535 -2.357 14.356 1.00 0.00 H ATOM 1019 HH11 ARG A 130 118.367 -2.722 13.034 1.00 0.00 H ATOM 1020 HH22 ARG A 130 118.795 -2.140 16.511 1.00 0.00 H ATOM 1021 HH21 ARG A 130 117.045 -2.333 16.893 1.00 0.00 H ATOM 1022 H ARG A 130 113.312 -5.927 12.022 1.00 0.00 H ATOM 1023 N ARG A 131 115.143 -4.518 8.563 1.00 18.43 N ATOM 1024 CA ARG A 131 115.005 -4.844 7.149 1.00 18.17 C ATOM 1025 C ARG A 131 116.391 -4.951 6.553 1.00 17.19 C ATOM 1026 O ARG A 131 117.211 -4.043 6.737 1.00 19.10 O ATOM 1027 CB ARG A 131 114.229 -3.736 6.434 1.00 21.48 C ATOM 1028 CG ARG A 131 114.057 -3.897 4.907 1.00 24.03 C ATOM 1029 CD ARG A 131 112.730 -4.511 4.664 1.00 23.89 C ATOM 1030 NE ARG A 131 112.252 -4.665 3.288 1.00 22.18 N ATOM 1031 CZ ARG A 131 111.427 -3.815 2.687 1.00 20.46 C ATOM 1032 NH1 ARG A 131 111.039 -2.678 3.299 1.00 22.78 N ATOM 1033 NH2 ARG A 131 110.956 -4.118 1.478 1.00 18.22 N ATOM 1034 HE ARG A 131 112.579 -5.491 2.748 1.00 0.00 H ATOM 1035 HH12 ARG A 131 110.393 -2.022 2.816 1.00 0.00 H ATOM 1036 HH11 ARG A 131 111.386 -2.457 4.254 1.00 0.00 H ATOM 1037 HH22 ARG A 131 110.309 -3.464 0.993 1.00 0.00 H ATOM 1038 HH21 ARG A 131 111.235 -5.009 1.019 1.00 0.00 H ATOM 1039 H ARG A 131 115.797 -3.758 8.841 1.00 0.00 H ATOM 1040 N SER A 132 116.628 -6.013 5.775 1.00 15.83 N ATOM 1041 CA SER A 132 117.938 -6.188 5.166 1.00 15.61 C ATOM 1042 C SER A 132 118.067 -5.340 3.909 1.00 16.42 C ATOM 1043 O SER A 132 117.078 -4.926 3.294 1.00 16.02 O ATOM 1044 CB SER A 132 118.221 -7.654 4.838 1.00 15.26 C ATOM 1045 OG SER A 132 117.648 -8.015 3.602 1.00 15.92 O ATOM 1046 HG SER A 132 117.845 -8.967 3.414 1.00 0.00 H ATOM 1047 H SER A 132 115.877 -6.712 5.606 1.00 0.00 H ATOM 1048 N ALA A 133 119.318 -5.110 3.533 1.00 15.83 N ATOM 1049 CA ALA A 133 119.696 -4.104 2.546 1.00 16.20 C ATOM 1050 C ALA A 133 119.604 -4.595 1.104 1.00 16.71 C ATOM 1051 O ALA A 133 119.790 -3.789 0.173 1.00 18.01 O ATOM 1052 CB ALA A 133 121.148 -3.665 2.802 1.00 16.88 C ATOM 1053 H ALA A 133 120.073 -5.679 3.966 1.00 0.00 H ATOM 1054 N HIS A 134 119.432 -5.892 0.864 1.00 15.56 N ATOM 1055 CA HIS A 134 119.372 -6.421 -0.493 1.00 14.89 C ATOM 1056 C HIS A 134 117.993 -6.166 -1.077 1.00 15.82 C ATOM 1057 O HIS A 134 117.001 -6.711 -0.595 1.00 16.72 O ATOM 1058 CB HIS A 134 119.692 -7.907 -0.431 1.00 16.09 C ATOM 1059 CG HIS A 134 119.972 -8.518 -1.760 1.00 15.78 C ATOM 1060 ND1 HIS A 134 119.095 -8.445 -2.824 1.00 16.61 N ATOM 1061 CD2 HIS A 134 121.029 -9.245 -2.188 1.00 15.62 C ATOM 1062 CE1 HIS A 134 119.612 -9.091 -3.850 1.00 17.31 C ATOM 1063 NE2 HIS A 134 120.781 -9.587 -3.488 1.00 16.54 N ATOM 1064 H HIS A 134 119.338 -6.547 1.667 1.00 0.00 H ATOM 1065 N PRO A 135 117.872 -5.325 -2.104 1.00 16.06 N ATOM 1066 CA PRO A 135 116.519 -4.882 -2.460 1.00 16.49 C ATOM 1067 C PRO A 135 115.646 -5.985 -3.028 1.00 17.69 C ATOM 1068 O PRO A 135 114.443 -6.008 -2.759 1.00 21.78 O ATOM 1069 CB PRO A 135 116.756 -3.770 -3.485 1.00 17.20 C ATOM 1070 CG PRO A 135 118.123 -3.252 -3.198 1.00 16.67 C ATOM 1071 CD PRO A 135 118.915 -4.507 -2.751 1.00 17.07 C ATOM 1072 N ASP A 136 116.218 -6.931 -3.769 1.00 15.15 N ATOM 1073 CA ASP A 136 115.447 -8.023 -4.339 1.00 15.70 C ATOM 1074 C ASP A 136 115.240 -9.176 -3.350 1.00 14.87 C ATOM 1075 O ASP A 136 114.153 -9.774 -3.314 1.00 15.53 O ATOM 1076 CB ASP A 136 116.094 -8.530 -5.631 1.00 15.87 C ATOM 1077 CG ASP A 136 115.174 -9.469 -6.390 1.00 16.61 C ATOM 1078 OD1 ASP A 136 114.159 -8.990 -6.943 1.00 17.84 O ATOM 1079 OD2 ASP A 136 115.436 -10.683 -6.418 1.00 17.82 O ATOM 1080 H ASP A 136 117.242 -6.888 -3.944 1.00 0.00 H ATOM 1081 N ALA A 137 116.248 -9.497 -2.534 1.00 15.14 N ATOM 1082 CA ALA A 137 116.187 -10.593 -1.575 1.00 13.61 C ATOM 1083 C ALA A 137 115.841 -10.111 -0.179 1.00 15.27 C ATOM 1084 O ALA A 137 116.010 -10.862 0.770 1.00 14.87 O ATOM 1085 CB ALA A 137 117.527 -11.328 -1.525 1.00 14.73 C ATOM 1086 H ALA A 137 117.122 -8.936 -2.586 1.00 0.00 H ATOM 1087 N SER A 138 115.229 -8.943 -0.040 1.00 15.15 N ATOM 1088 CA SER A 138 115.164 -8.279 1.256 1.00 14.79 C ATOM 1089 C SER A 138 114.462 -9.140 2.282 1.00 14.12 C ATOM 1090 O SER A 138 113.420 -9.716 2.007 1.00 14.60 O ATOM 1091 CB SER A 138 114.388 -6.974 1.105 1.00 15.41 C ATOM 1092 OG SER A 138 114.446 -6.255 2.315 1.00 16.22 O ATOM 1093 HG SER A 138 115.391 -6.056 2.534 1.00 0.00 H ATOM 1094 H SER A 138 114.789 -8.494 -0.868 1.00 0.00 H ATOM 1095 N MET A 139 115.008 -9.151 3.496 1.00 13.83 N ATOM 1096 CA MET A 139 114.529 -9.970 4.604 1.00 13.89 C ATOM 1097 C MET A 139 114.178 -9.061 5.771 1.00 15.27 C ATOM 1098 O MET A 139 114.900 -8.099 6.051 1.00 17.51 O ATOM 1099 CB MET A 139 115.635 -10.934 5.082 1.00 14.89 C ATOM 1100 CG MET A 139 116.144 -11.879 4.027 1.00 14.41 C ATOM 1101 SD MET A 139 115.059 -13.289 3.819 1.00 16.39 S ATOM 1102 CE MET A 139 115.702 -14.006 2.305 1.00 16.41 C ATOM 1103 H MET A 139 115.829 -8.536 3.665 1.00 0.00 H ATOM 1104 N ALA A 140 113.099 -9.390 6.470 1.00 14.80 N ATOM 1105 CA ALA A 140 112.644 -8.615 7.605 1.00 14.21 C ATOM 1106 C ALA A 140 112.757 -9.481 8.841 1.00 14.61 C ATOM 1107 O ALA A 140 112.447 -10.673 8.789 1.00 16.03 O ATOM 1108 CB ALA A 140 111.174 -8.212 7.431 1.00 16.80 C ATOM 1109 H ALA A 140 112.561 -10.235 6.192 1.00 0.00 H ATOM 1110 N ALA A 141 113.195 -8.885 9.950 1.00 14.24 N ATOM 1111 CA ALA A 141 113.315 -9.628 11.198 1.00 13.94 C ATOM 1112 C ALA A 141 112.802 -8.835 12.386 1.00 15.71 C ATOM 1113 O ALA A 141 113.032 -7.625 12.509 1.00 16.03 O ATOM 1114 CB ALA A 141 114.775 -10.024 11.438 1.00 15.74 C ATOM 1115 H ALA A 141 113.454 -7.878 9.924 1.00 0.00 H ATOM 1116 N ILE A 142 112.135 -9.563 13.278 1.00 15.58 N ATOM 1117 CA ILE A 142 111.588 -9.048 14.532 1.00 14.70 C ATOM 1118 C ILE A 142 112.175 -9.876 15.669 1.00 15.22 C ATOM 1119 O ILE A 142 112.134 -11.109 15.630 1.00 16.48 O ATOM 1120 CB ILE A 142 110.050 -9.134 14.554 1.00 16.03 C ATOM 1121 CG1 ILE A 142 109.441 -8.270 13.448 1.00 16.78 C ATOM 1122 CG2 ILE A 142 109.545 -8.702 15.908 1.00 17.27 C ATOM 1123 CD1 ILE A 142 108.020 -8.558 13.183 1.00 18.78 C ATOM 1124 H ILE A 142 111.993 -10.572 13.068 1.00 0.00 H ATOM 1125 N GLY A 143 112.711 -9.195 16.671 1.00 14.76 N ATOM 1126 CA GLY A 143 113.219 -9.831 17.855 1.00 15.31 C ATOM 1127 C GLY A 143 114.594 -9.370 18.253 1.00 15.16 C ATOM 1128 O GLY A 143 115.213 -8.537 17.596 1.00 15.45 O ATOM 1129 H GLY A 143 112.766 -8.159 16.598 1.00 0.00 H ATOM 1130 N PRO A 144 115.087 -9.882 19.382 1.00 14.75 N ATOM 1131 CA PRO A 144 116.346 -9.335 19.919 1.00 14.67 C ATOM 1132 C PRO A 144 117.540 -9.541 19.016 1.00 14.50 C ATOM 1133 O PRO A 144 118.531 -8.798 19.079 1.00 15.63 O ATOM 1134 CB PRO A 144 116.522 -10.060 21.259 1.00 15.38 C ATOM 1135 CG PRO A 144 115.118 -10.468 21.661 1.00 15.53 C ATOM 1136 CD PRO A 144 114.389 -10.748 20.333 1.00 14.85 C ATOM 1137 N ASP A 145 117.482 -10.545 18.145 1.00 15.28 N ATOM 1138 CA ASP A 145 118.579 -10.813 17.239 1.00 15.28 C ATOM 1139 C ASP A 145 118.321 -10.276 15.844 1.00 16.09 C ATOM 1140 O ASP A 145 119.032 -10.652 14.909 1.00 16.78 O ATOM 1141 CB ASP A 145 118.839 -12.320 17.173 1.00 15.19 C ATOM 1142 CG ASP A 145 119.168 -12.913 18.533 1.00 15.90 C ATOM 1143 OD1 ASP A 145 119.925 -12.287 19.302 1.00 15.51 O ATOM 1144 OD2 ASP A 145 118.631 -13.980 18.937 1.00 17.25 O ATOM 1145 H ASP A 145 116.635 -11.147 18.114 1.00 0.00 H ATOM 1146 N ALA A 146 117.386 -9.347 15.693 1.00 16.62 N ATOM 1147 CA ALA A 146 116.994 -8.920 14.355 1.00 16.12 C ATOM 1148 C ALA A 146 118.148 -8.235 13.635 1.00 16.65 C ATOM 1149 O ALA A 146 118.370 -8.446 12.436 1.00 16.95 O ATOM 1150 CB ALA A 146 115.804 -7.978 14.490 1.00 16.64 C ATOM 1151 H ALA A 146 116.933 -8.924 16.528 1.00 0.00 H ATOM 1152 N ALA A 147 118.888 -7.382 14.330 1.00 17.08 N ATOM 1153 CA ALA A 147 119.968 -6.665 13.655 1.00 17.14 C ATOM 1154 C ALA A 147 121.042 -7.630 13.164 1.00 16.42 C ATOM 1155 O ALA A 147 121.556 -7.501 12.039 1.00 17.67 O ATOM 1156 CB ALA A 147 120.573 -5.592 14.573 1.00 18.33 C ATOM 1157 H ALA A 147 118.702 -7.225 15.341 1.00 0.00 H ATOM 1158 N TRP A 148 121.379 -8.618 13.988 1.00 15.35 N ATOM 1159 CA TRP A 148 122.360 -9.618 13.613 1.00 15.43 C ATOM 1160 C TRP A 148 121.863 -10.445 12.441 1.00 15.99 C ATOM 1161 O TRP A 148 122.666 -10.873 11.602 1.00 15.61 O ATOM 1162 CB TRP A 148 122.665 -10.497 14.830 1.00 15.57 C ATOM 1163 CG TRP A 148 123.564 -11.645 14.554 1.00 16.30 C ATOM 1164 CD1 TRP A 148 124.915 -11.611 14.478 1.00 18.63 C ATOM 1165 CD2 TRP A 148 123.177 -12.994 14.288 1.00 15.69 C ATOM 1166 NE1 TRP A 148 125.403 -12.864 14.181 1.00 18.91 N ATOM 1167 CE2 TRP A 148 124.348 -13.731 14.080 1.00 16.80 C ATOM 1168 CE3 TRP A 148 121.948 -13.653 14.213 1.00 15.59 C ATOM 1169 CZ2 TRP A 148 124.329 -15.088 13.785 1.00 18.02 C ATOM 1170 CZ3 TRP A 148 121.931 -15.014 13.971 1.00 16.92 C ATOM 1171 CH2 TRP A 148 123.110 -15.715 13.740 1.00 17.26 C ATOM 1172 HE1 TRP A 148 126.405 -13.111 14.055 1.00 0.00 H ATOM 1173 H TRP A 148 120.928 -8.675 14.924 1.00 0.00 H ATOM 1174 N LEU A 149 120.556 -10.725 12.401 1.00 15.22 N ATOM 1175 CA LEU A 149 120.019 -11.495 11.288 1.00 15.27 C ATOM 1176 C LEU A 149 120.088 -10.738 9.975 1.00 15.47 C ATOM 1177 O LEU A 149 120.450 -11.322 8.951 1.00 15.37 O ATOM 1178 CB LEU A 149 118.574 -11.847 11.563 1.00 15.89 C ATOM 1179 CG LEU A 149 118.386 -12.995 12.531 1.00 16.82 C ATOM 1180 CD1 LEU A 149 116.936 -13.007 13.061 1.00 17.69 C ATOM 1181 CD2 LEU A 149 118.764 -14.368 11.948 1.00 18.14 C ATOM 1182 H LEU A 149 119.927 -10.395 13.160 1.00 0.00 H ATOM 1183 N VAL A 150 119.730 -9.448 9.970 1.00 15.04 N ATOM 1184 CA VAL A 150 119.505 -8.799 8.683 1.00 15.50 C ATOM 1185 C VAL A 150 120.737 -8.220 8.011 1.00 15.88 C ATOM 1186 O VAL A 150 120.653 -7.869 6.824 1.00 16.53 O ATOM 1187 CB VAL A 150 118.426 -7.705 8.724 1.00 17.71 C ATOM 1188 CG1 VAL A 150 117.106 -8.293 9.145 1.00 20.05 C ATOM 1189 CG2 VAL A 150 118.857 -6.558 9.632 1.00 19.84 C ATOM 1190 H VAL A 150 119.615 -8.922 10.860 1.00 0.00 H ATOM 1191 N ALA A 151 121.855 -8.058 8.712 1.00 16.71 N ATOM 1192 CA ALA A 151 123.032 -7.474 8.114 1.00 17.99 C ATOM 1193 C ALA A 151 124.252 -8.310 8.467 1.00 17.67 C ATOM 1194 O ALA A 151 124.370 -8.778 9.612 1.00 19.42 O ATOM 1195 CB ALA A 151 123.222 -6.031 8.600 1.00 19.09 C ATOM 1196 H ALA A 151 121.882 -8.357 9.708 1.00 0.00 H ATOM 1197 N PRO A 152 125.203 -8.472 7.522 1.00 17.99 N ATOM 1198 CA PRO A 152 125.161 -7.902 6.169 1.00 17.33 C ATOM 1199 C PRO A 152 124.192 -8.632 5.239 1.00 16.07 C ATOM 1200 O PRO A 152 123.871 -9.815 5.404 1.00 16.49 O ATOM 1201 CB PRO A 152 126.595 -8.094 5.661 1.00 18.43 C ATOM 1202 CG PRO A 152 127.045 -9.383 6.368 1.00 20.73 C ATOM 1203 CD PRO A 152 126.423 -9.273 7.747 1.00 19.56 C ATOM 1204 N HIS A 153 123.741 -7.923 4.210 1.00 15.50 N ATOM 1205 CA HIS A 153 122.998 -8.557 3.126 1.00 14.42 C ATOM 1206 C HIS A 153 123.384 -7.879 1.817 1.00 15.45 C ATOM 1207 O HIS A 153 122.707 -6.977 1.316 1.00 17.88 O ATOM 1208 CB HIS A 153 121.498 -8.568 3.350 1.00 14.28 C ATOM 1209 CG HIS A 153 120.801 -9.583 2.513 1.00 13.82 C ATOM 1210 ND1 HIS A 153 119.438 -9.749 2.530 1.00 15.07 N ATOM 1211 CD2 HIS A 153 121.293 -10.534 1.680 1.00 12.84 C ATOM 1212 CE1 HIS A 153 119.113 -10.752 1.734 1.00 14.70 C ATOM 1213 NE2 HIS A 153 120.223 -11.254 1.212 1.00 14.50 N ATOM 1214 H HIS A 153 123.920 -6.899 4.177 1.00 0.00 H ATOM 1215 N GLU A 154 124.480 -8.344 1.255 1.00 16.93 N ATOM 1216 CA GLU A 154 125.100 -7.674 0.119 1.00 17.86 C ATOM 1217 C GLU A 154 124.633 -8.234 -1.213 1.00 17.26 C ATOM 1218 O GLU A 154 124.270 -9.409 -1.341 1.00 16.75 O ATOM 1219 CB GLU A 154 126.621 -7.790 0.253 1.00 20.79 C ATOM 1220 CG GLU A 154 127.105 -6.944 1.422 1.00 24.93 C ATOM 1221 CD GLU A 154 128.528 -7.193 1.859 1.00 31.57 C ATOM 1222 OE1 GLU A 154 129.218 -8.018 1.236 1.00 33.84 O ATOM 1223 OE2 GLU A 154 128.955 -6.550 2.845 1.00 36.46 O ATOM 1224 H GLU A 154 124.914 -9.211 1.631 1.00 0.00 H ATOM 1225 N MET A 155 124.654 -7.370 -2.221 1.00 16.98 N ATOM 1226 CA MET A 155 124.485 -7.850 -3.577 1.00 18.30 C ATOM 1227 C MET A 155 125.502 -8.952 -3.840 1.00 17.60 C ATOM 1228 O MET A 155 126.680 -8.841 -3.485 1.00 18.77 O ATOM 1229 CB MET A 155 124.643 -6.671 -4.548 1.00 19.92 C ATOM 1230 CG MET A 155 123.486 -5.697 -4.411 1.00 20.82 C ATOM 1231 SD MET A 155 121.984 -6.235 -5.222 1.00 21.13 S ATOM 1232 CE MET A 155 122.386 -5.892 -6.941 1.00 22.97 C ATOM 1233 H MET A 155 124.791 -6.355 -2.038 1.00 0.00 H ATOM 1234 N GLY A 156 125.045 -9.999 -4.512 1.00 17.12 N ATOM 1235 CA GLY A 156 125.858 -11.167 -4.743 1.00 16.97 C ATOM 1236 C GLY A 156 125.723 -12.251 -3.697 1.00 17.51 C ATOM 1237 O GLY A 156 126.314 -13.326 -3.875 1.00 19.70 O ATOM 1238 H GLY A 156 124.074 -9.977 -4.883 1.00 0.00 H ATOM 1239 N ALA A 157 124.990 -11.989 -2.607 1.00 17.42 N ATOM 1240 CA ALA A 157 124.781 -12.941 -1.500 1.00 17.17 C ATOM 1241 C ALA A 157 123.297 -12.954 -1.127 1.00 16.69 C ATOM 1242 O ALA A 157 122.888 -12.673 -0.005 1.00 17.15 O ATOM 1243 CB ALA A 157 125.641 -12.579 -0.287 1.00 19.79 C ATOM 1244 H ALA A 157 124.539 -11.054 -2.537 1.00 0.00 H ATOM 1245 N ALA A 158 122.453 -13.287 -2.104 1.00 15.96 N ATOM 1246 CA ALA A 158 121.015 -13.194 -1.896 1.00 15.22 C ATOM 1247 C ALA A 158 120.532 -14.204 -0.854 1.00 15.50 C ATOM 1248 O ALA A 158 119.907 -13.825 0.137 1.00 14.61 O ATOM 1249 CB ALA A 158 120.284 -13.372 -3.224 1.00 15.40 C ATOM 1250 H ALA A 158 122.824 -13.615 -3.019 1.00 0.00 H ATOM 1251 N TYR A 159 120.805 -15.509 -1.080 1.00 14.69 N ATOM 1252 CA TYR A 159 120.290 -16.548 -0.194 1.00 14.38 C ATOM 1253 C TYR A 159 121.361 -17.507 0.289 1.00 14.70 C ATOM 1254 O TYR A 159 121.032 -18.449 1.038 1.00 16.17 O ATOM 1255 CB TYR A 159 119.176 -17.394 -0.864 1.00 14.40 C ATOM 1256 CG TYR A 159 118.168 -16.488 -1.558 1.00 15.34 C ATOM 1257 CD1 TYR A 159 118.212 -16.244 -2.927 1.00 16.45 C ATOM 1258 CD2 TYR A 159 117.223 -15.790 -0.826 1.00 15.97 C ATOM 1259 CE1 TYR A 159 117.330 -15.364 -3.523 1.00 16.92 C ATOM 1260 CE2 TYR A 159 116.338 -14.919 -1.427 1.00 15.14 C ATOM 1261 CZ TYR A 159 116.388 -14.721 -2.782 1.00 16.08 C ATOM 1262 OH TYR A 159 115.550 -13.823 -3.389 1.00 17.42 O ATOM 1263 HH TYR A 159 115.728 -13.814 -4.363 1.00 0.00 H ATOM 1264 H TYR A 159 121.390 -15.776 -1.897 1.00 0.00 H ATOM 1265 N GLY A 160 122.617 -17.284 -0.108 1.00 15.40 N ATOM 1266 CA GLY A 160 123.673 -18.198 0.234 1.00 15.39 C ATOM 1267 C GLY A 160 124.505 -17.754 1.409 1.00 15.36 C ATOM 1268 O GLY A 160 124.053 -17.018 2.298 1.00 16.31 O ATOM 1269 H GLY A 160 122.834 -16.438 -0.672 1.00 0.00 H ATOM 1270 N PRO A 161 125.746 -18.232 1.450 1.00 17.42 N ATOM 1271 CA PRO A 161 126.670 -17.789 2.496 1.00 17.15 C ATOM 1272 C PRO A 161 126.670 -16.272 2.635 1.00 16.42 C ATOM 1273 O PRO A 161 126.600 -15.524 1.650 1.00 17.31 O ATOM 1274 CB PRO A 161 128.024 -18.358 2.042 1.00 17.40 C ATOM 1275 CG PRO A 161 127.634 -19.592 1.292 1.00 18.60 C ATOM 1276 CD PRO A 161 126.378 -19.209 0.532 1.00 17.92 C ATOM 1277 N ARG A 162 126.707 -15.843 3.897 1.00 17.01 N ATOM 1278 CA ARG A 162 126.817 -14.442 4.323 1.00 17.82 C ATOM 1279 C ARG A 162 125.467 -13.730 4.287 1.00 17.18 C ATOM 1280 O ARG A 162 125.388 -12.547 4.669 1.00 17.93 O ATOM 1281 CB ARG A 162 127.891 -13.639 3.568 1.00 21.20 C ATOM 1282 CG ARG A 162 129.266 -14.272 3.682 1.00 26.17 C ATOM 1283 CD ARG A 162 130.351 -13.452 3.019 1.00 36.14 C ATOM 1284 NE ARG A 162 130.536 -12.161 3.672 1.00 45.28 N ATOM 1285 CZ ARG A 162 131.401 -11.924 4.653 1.00 47.23 C ATOM 1286 NH1 ARG A 162 132.176 -12.893 5.116 1.00 49.02 N ATOM 1287 NH2 ARG A 162 131.487 -10.709 5.180 1.00 48.83 N ATOM 1288 HE ARG A 162 129.948 -11.368 3.346 1.00 0.00 H ATOM 1289 HH12 ARG A 162 132.850 -12.698 5.884 1.00 0.00 H ATOM 1290 HH11 ARG A 162 132.111 -13.849 4.712 1.00 0.00 H ATOM 1291 HH22 ARG A 162 132.163 -10.522 5.948 1.00 0.00 H ATOM 1292 HH21 ARG A 162 130.878 -9.944 4.825 1.00 0.00 H ATOM 1293 H ARG A 162 126.653 -16.564 4.645 1.00 0.00 H ATOM 1294 N SER A 163 124.396 -14.411 3.886 1.00 16.11 N ATOM 1295 CA SER A 163 123.083 -13.793 3.845 1.00 15.22 C ATOM 1296 C SER A 163 122.350 -14.016 5.155 1.00 14.47 C ATOM 1297 O SER A 163 122.763 -14.818 5.999 1.00 14.78 O ATOM 1298 CB SER A 163 122.262 -14.388 2.719 1.00 15.51 C ATOM 1299 OG SER A 163 121.867 -15.704 3.057 1.00 15.45 O ATOM 1300 HG SER A 163 122.672 -16.261 3.206 1.00 0.00 H ATOM 1301 H SER A 163 124.502 -15.404 3.597 1.00 0.00 H ATOM 1302 N PRO A 164 121.208 -13.349 5.344 1.00 14.41 N ATOM 1303 CA PRO A 164 120.369 -13.648 6.518 1.00 14.17 C ATOM 1304 C PRO A 164 119.954 -15.091 6.589 1.00 15.10 C ATOM 1305 O PRO A 164 119.817 -15.608 7.706 1.00 14.92 O ATOM 1306 CB PRO A 164 119.166 -12.713 6.351 1.00 14.21 C ATOM 1307 CG PRO A 164 119.746 -11.531 5.615 1.00 14.39 C ATOM 1308 CD PRO A 164 120.744 -12.139 4.629 1.00 14.81 C ATOM 1309 N ILE A 165 119.735 -15.760 5.462 1.00 14.85 N ATOM 1310 CA ILE A 165 119.394 -17.174 5.521 1.00 14.98 C ATOM 1311 C ILE A 165 120.533 -17.979 6.116 1.00 15.23 C ATOM 1312 O ILE A 165 120.299 -18.910 6.890 1.00 15.43 O ATOM 1313 CB ILE A 165 119.067 -17.699 4.124 1.00 17.15 C ATOM 1314 CG1 ILE A 165 117.842 -17.016 3.544 1.00 22.25 C ATOM 1315 CG2 ILE A 165 118.906 -19.224 4.103 1.00 17.84 C ATOM 1316 CD1 ILE A 165 116.603 -17.343 4.193 1.00 22.57 C ATOM 1317 H ILE A 165 119.807 -15.277 4.544 1.00 0.00 H ATOM 1318 N ALA A 166 121.772 -17.685 5.727 1.00 14.45 N ATOM 1319 CA ALA A 166 122.908 -18.378 6.331 1.00 14.85 C ATOM 1320 C ALA A 166 122.905 -18.236 7.855 1.00 14.56 C ATOM 1321 O ALA A 166 123.136 -19.210 8.572 1.00 15.05 O ATOM 1322 CB ALA A 166 124.214 -17.839 5.763 1.00 16.80 C ATOM 1323 H ALA A 166 121.931 -16.964 4.995 1.00 0.00 H ATOM 1324 N ARG A 167 122.651 -17.041 8.377 1.00 14.00 N ATOM 1325 CA ARG A 167 122.658 -16.879 9.836 1.00 14.48 C ATOM 1326 C ARG A 167 121.454 -17.565 10.482 1.00 13.90 C ATOM 1327 O ARG A 167 121.558 -18.134 11.583 1.00 14.88 O ATOM 1328 CB ARG A 167 122.764 -15.386 10.168 1.00 15.41 C ATOM 1329 CG ARG A 167 124.146 -14.844 9.816 1.00 16.28 C ATOM 1330 CD ARG A 167 124.313 -13.370 10.236 1.00 15.29 C ATOM 1331 NE ARG A 167 123.493 -12.455 9.442 1.00 15.12 N ATOM 1332 CZ ARG A 167 123.764 -12.101 8.187 1.00 15.86 C ATOM 1333 NH1 ARG A 167 124.873 -12.526 7.573 1.00 16.81 N ATOM 1334 NH2 ARG A 167 122.939 -11.288 7.551 1.00 16.19 N ATOM 1335 HE ARG A 167 122.642 -12.055 9.887 1.00 0.00 H ATOM 1336 HH12 ARG A 167 125.067 -12.239 6.593 1.00 0.00 H ATOM 1337 HH11 ARG A 167 125.542 -13.144 8.076 1.00 0.00 H ATOM 1338 HH22 ARG A 167 123.141 -11.005 6.571 1.00 0.00 H ATOM 1339 HH21 ARG A 167 122.088 -10.931 8.031 1.00 0.00 H ATOM 1340 H ARG A 167 122.449 -16.229 7.759 1.00 0.00 H ATOM 1341 N PHE A 168 120.301 -17.524 9.823 1.00 13.75 N ATOM 1342 CA PHE A 168 119.107 -18.228 10.288 1.00 13.32 C ATOM 1343 C PHE A 168 119.391 -19.722 10.457 1.00 14.07 C ATOM 1344 O PHE A 168 118.980 -20.340 11.451 1.00 14.18 O ATOM 1345 CB PHE A 168 117.993 -17.960 9.254 1.00 14.49 C ATOM 1346 CG PHE A 168 116.754 -18.820 9.391 1.00 13.81 C ATOM 1347 CD1 PHE A 168 115.826 -18.598 10.370 1.00 14.07 C ATOM 1348 CD2 PHE A 168 116.506 -19.819 8.476 1.00 15.24 C ATOM 1349 CE1 PHE A 168 114.680 -19.394 10.463 1.00 14.50 C ATOM 1350 CE2 PHE A 168 115.354 -20.602 8.561 1.00 14.87 C ATOM 1351 CZ PHE A 168 114.446 -20.386 9.563 1.00 14.89 C ATOM 1352 H PHE A 168 120.246 -16.971 8.944 1.00 0.00 H ATOM 1353 N LEU A 169 120.152 -20.289 9.516 1.00 14.93 N ATOM 1354 CA LEU A 169 120.463 -21.700 9.581 1.00 14.80 C ATOM 1355 C LEU A 169 121.428 -22.005 10.706 1.00 16.04 C ATOM 1356 O LEU A 169 121.444 -23.144 11.185 1.00 19.69 O ATOM 1357 CB LEU A 169 121.054 -22.155 8.256 1.00 15.80 C ATOM 1358 CG LEU A 169 120.087 -22.137 7.076 1.00 15.79 C ATOM 1359 CD1 LEU A 169 120.861 -22.331 5.773 1.00 18.72 C ATOM 1360 CD2 LEU A 169 118.987 -23.115 7.222 1.00 18.16 C ATOM 1361 H LEU A 169 120.522 -19.713 8.733 1.00 0.00 H ATOM 1362 N ALA A 170 122.254 -21.036 11.118 1.00 15.46 N ATOM 1363 CA ALA A 170 123.148 -21.210 12.260 1.00 16.30 C ATOM 1364 C ALA A 170 122.479 -20.889 13.583 1.00 17.23 C ATOM 1365 O ALA A 170 123.107 -21.054 14.634 1.00 20.87 O ATOM 1366 CB ALA A 170 124.392 -20.345 12.061 1.00 17.22 C ATOM 1367 H ALA A 170 122.260 -20.129 10.608 1.00 0.00 H ATOM 1368 N HIS A 171 121.238 -20.416 13.551 1.00 15.92 N ATOM 1369 CA HIS A 171 120.541 -19.911 14.723 1.00 15.87 C ATOM 1370 C HIS A 171 119.338 -20.785 15.061 1.00 15.46 C ATOM 1371 O HIS A 171 118.318 -20.301 15.556 1.00 16.34 O ATOM 1372 CB HIS A 171 120.128 -18.467 14.450 1.00 15.67 C ATOM 1373 CG HIS A 171 119.807 -17.657 15.666 1.00 16.28 C ATOM 1374 ND1 HIS A 171 120.493 -17.775 16.853 1.00 18.31 N ATOM 1375 CD2 HIS A 171 118.889 -16.680 15.857 1.00 18.81 C ATOM 1376 CE1 HIS A 171 120.002 -16.912 17.728 1.00 19.32 C ATOM 1377 NE2 HIS A 171 119.033 -16.231 17.148 1.00 18.47 N ATOM 1378 H HIS A 171 120.738 -20.406 12.639 1.00 0.00 H ATOM 1379 N ALA A 172 119.470 -22.094 14.855 1.00 15.97 N ATOM 1380 CA ALA A 172 118.425 -23.041 15.247 1.00 15.50 C ATOM 1381 C ALA A 172 117.100 -22.747 14.543 1.00 14.69 C ATOM 1382 O ALA A 172 116.033 -22.979 15.084 1.00 15.66 O ATOM 1383 CB ALA A 172 118.243 -23.123 16.772 1.00 16.94 C ATOM 1384 H ALA A 172 120.336 -22.452 14.405 1.00 0.00 H ATOM 1385 N GLY A 173 117.173 -22.240 13.317 1.00 14.34 N ATOM 1386 CA GLY A 173 115.978 -21.798 12.617 1.00 14.28 C ATOM 1387 C GLY A 173 114.978 -22.920 12.381 1.00 14.22 C ATOM 1388 O GLY A 173 115.338 -24.067 12.072 1.00 15.04 O ATOM 1389 H GLY A 173 118.099 -22.158 12.851 1.00 0.00 H ATOM 1390 N LYS A 174 113.704 -22.559 12.509 1.00 13.72 N ATOM 1391 CA LYS A 174 112.571 -23.415 12.181 1.00 13.93 C ATOM 1392 C LYS A 174 111.802 -22.731 11.052 1.00 13.86 C ATOM 1393 O LYS A 174 111.547 -21.522 11.112 1.00 14.39 O ATOM 1394 CB LYS A 174 111.640 -23.671 13.357 1.00 15.07 C ATOM 1395 CG LYS A 174 112.341 -24.314 14.528 1.00 15.69 C ATOM 1396 CD LYS A 174 111.312 -24.582 15.645 1.00 15.92 C ATOM 1397 CE LYS A 174 111.928 -25.142 16.917 1.00 16.64 C ATOM 1398 NZ LYS A 174 110.891 -25.511 17.944 1.00 18.32 N ATOM 1399 HZ1 LYS A 174 110.341 -24.666 18.198 1.00 0.00 H ATOM 1400 HZ2 LYS A 174 110.256 -26.234 17.549 1.00 0.00 H ATOM 1401 HZ3 LYS A 174 111.362 -25.887 18.791 1.00 0.00 H ATOM 1402 H LYS A 174 113.503 -21.603 12.867 1.00 0.00 H ATOM 1403 N ILE A 175 111.352 -23.522 10.071 1.00 14.16 N ATOM 1404 CA ILE A 175 110.533 -23.027 8.969 1.00 15.01 C ATOM 1405 C ILE A 175 109.089 -23.388 9.257 1.00 15.15 C ATOM 1406 O ILE A 175 108.759 -24.567 9.434 1.00 15.76 O ATOM 1407 CB ILE A 175 111.009 -23.604 7.629 1.00 15.79 C ATOM 1408 CG1 ILE A 175 112.448 -23.130 7.358 1.00 16.26 C ATOM 1409 CG2 ILE A 175 110.080 -23.167 6.520 1.00 16.40 C ATOM 1410 CD1 ILE A 175 113.231 -24.023 6.393 1.00 17.46 C ATOM 1411 H ILE A 175 111.596 -24.533 10.095 1.00 0.00 H ATOM 1412 N LEU A 176 108.239 -22.367 9.355 1.00 13.97 N ATOM 1413 CA LEU A 176 106.843 -22.548 9.730 1.00 15.06 C ATOM 1414 C LEU A 176 106.011 -22.365 8.473 1.00 14.99 C ATOM 1415 O LEU A 176 105.794 -21.247 8.011 1.00 15.93 O ATOM 1416 CB LEU A 176 106.479 -21.541 10.811 1.00 16.50 C ATOM 1417 CG LEU A 176 105.009 -21.411 11.161 1.00 19.10 C ATOM 1418 CD1 LEU A 176 104.403 -22.720 11.611 1.00 22.17 C ATOM 1419 CD2 LEU A 176 104.866 -20.354 12.283 1.00 21.26 C ATOM 1420 H LEU A 176 108.584 -21.406 9.157 1.00 0.00 H ATOM 1421 N SER A 177 105.546 -23.468 7.925 1.00 15.10 N ATOM 1422 CA SER A 177 104.795 -23.447 6.683 1.00 15.61 C ATOM 1423 C SER A 177 103.327 -23.543 7.053 1.00 16.52 C ATOM 1424 O SER A 177 102.896 -24.557 7.612 1.00 20.12 O ATOM 1425 CB SER A 177 105.127 -24.650 5.807 1.00 17.85 C ATOM 1426 OG SER A 177 104.236 -24.701 4.683 1.00 20.54 O ATOM 1427 HG SER A 177 104.460 -25.485 4.121 1.00 0.00 H ATOM 1428 H SER A 177 105.721 -24.379 8.395 1.00 0.00 H ATOM 1429 N ILE A 178 102.574 -22.490 6.769 1.00 17.11 N ATOM 1430 CA ILE A 178 101.168 -22.392 7.149 1.00 17.30 C ATOM 1431 C ILE A 178 100.348 -22.398 5.859 1.00 18.44 C ATOM 1432 O ILE A 178 100.102 -21.344 5.253 1.00 20.72 O ATOM 1433 CB ILE A 178 100.918 -21.139 8.006 1.00 17.89 C ATOM 1434 CG1 ILE A 178 101.673 -21.266 9.326 1.00 18.96 C ATOM 1435 CG2 ILE A 178 99.430 -20.966 8.233 1.00 19.00 C ATOM 1436 CD1 ILE A 178 101.726 -19.952 10.086 1.00 20.38 C ATOM 1437 H ILE A 178 103.005 -21.697 6.252 1.00 0.00 H ATOM 1438 N GLY A 179 99.943 -23.595 5.426 1.00 19.20 N ATOM 1439 CA GLY A 179 99.209 -23.762 4.190 1.00 20.63 C ATOM 1440 C GLY A 179 100.014 -23.548 2.933 1.00 21.55 C ATOM 1441 O GLY A 179 99.435 -23.486 1.846 1.00 23.92 O ATOM 1442 H GLY A 179 100.163 -24.436 5.997 1.00 0.00 H ATOM 1443 N ALA A 180 101.320 -23.385 3.051 1.00 20.85 N ATOM 1444 CA ALA A 180 102.176 -23.159 1.900 1.00 21.02 C ATOM 1445 C ALA A 180 102.702 -24.471 1.350 1.00 20.82 C ATOM 1446 O ALA A 180 102.818 -25.470 2.059 1.00 21.76 O ATOM 1447 CB ALA A 180 103.345 -22.278 2.321 1.00 20.20 C ATOM 1448 H ALA A 180 101.748 -23.420 3.998 1.00 0.00 H ATOM 1449 N GLY A 181 102.997 -24.465 0.049 1.00 22.39 N ATOM 1450 CA GLY A 181 103.483 -25.660 -0.622 1.00 22.61 C ATOM 1451 C GLY A 181 104.976 -25.856 -0.469 1.00 20.39 C ATOM 1452 O GLY A 181 105.718 -24.982 0.017 1.00 20.48 O ATOM 1453 H GLY A 181 102.877 -23.588 -0.496 1.00 0.00 H ATOM 1454 N PRO A 182 105.458 -26.999 -0.959 1.00 20.17 N ATOM 1455 CA PRO A 182 106.889 -27.294 -0.826 1.00 20.39 C ATOM 1456 C PRO A 182 107.753 -26.321 -1.605 1.00 19.07 C ATOM 1457 O PRO A 182 108.915 -26.091 -1.242 1.00 19.39 O ATOM 1458 CB PRO A 182 107.009 -28.733 -1.355 1.00 20.77 C ATOM 1459 CG PRO A 182 105.818 -28.904 -2.257 1.00 23.16 C ATOM 1460 CD PRO A 182 104.714 -28.117 -1.562 1.00 22.91 C ATOM 1461 N ASP A 183 107.202 -25.718 -2.658 1.00 19.30 N ATOM 1462 CA ASP A 183 107.923 -24.724 -3.433 1.00 18.75 C ATOM 1463 C ASP A 183 108.238 -23.464 -2.649 1.00 18.50 C ATOM 1464 O ASP A 183 109.068 -22.667 -3.097 1.00 18.14 O ATOM 1465 CB ASP A 183 107.073 -24.319 -4.643 1.00 20.56 C ATOM 1466 CG ASP A 183 105.756 -23.711 -4.232 1.00 23.70 C ATOM 1467 OD1 ASP A 183 104.933 -24.465 -3.660 1.00 25.27 O ATOM 1468 OD2 ASP A 183 105.570 -22.494 -4.428 1.00 26.10 O ATOM 1469 H ASP A 183 106.230 -25.966 -2.932 1.00 0.00 H ATOM 1470 N ALA A 184 107.634 -23.273 -1.480 1.00 17.48 N ATOM 1471 CA ALA A 184 107.742 -21.988 -0.809 1.00 17.15 C ATOM 1472 C ALA A 184 108.994 -21.839 0.042 1.00 16.91 C ATOM 1473 O ALA A 184 109.227 -20.741 0.556 1.00 18.67 O ATOM 1474 CB ALA A 184 106.530 -21.799 0.114 1.00 19.18 C ATOM 1475 H ALA A 184 107.085 -24.042 -1.046 1.00 0.00 H ATOM 1476 N VAL A 185 109.776 -22.904 0.223 1.00 16.05 N ATOM 1477 CA VAL A 185 110.843 -22.959 1.225 1.00 15.38 C ATOM 1478 C VAL A 185 112.098 -22.217 0.745 1.00 15.37 C ATOM 1479 O VAL A 185 113.069 -22.819 0.250 1.00 15.58 O ATOM 1480 CB VAL A 185 111.148 -24.405 1.628 1.00 16.63 C ATOM 1481 CG1 VAL A 185 112.183 -24.396 2.753 1.00 16.97 C ATOM 1482 CG2 VAL A 185 109.864 -25.124 2.094 1.00 18.20 C ATOM 1483 H VAL A 185 109.620 -23.738 -0.378 1.00 0.00 H ATOM 1484 N THR A 186 112.091 -20.892 0.928 1.00 15.43 N ATOM 1485 CA THR A 186 113.192 -20.032 0.515 1.00 15.63 C ATOM 1486 C THR A 186 114.542 -20.525 1.024 1.00 15.20 C ATOM 1487 O THR A 186 115.558 -20.364 0.346 1.00 15.02 O ATOM 1488 CB THR A 186 112.936 -18.616 1.053 1.00 16.01 C ATOM 1489 OG1 THR A 186 111.598 -18.208 0.727 1.00 16.56 O ATOM 1490 CG2 THR A 186 113.928 -17.640 0.515 1.00 17.51 C ATOM 1491 HG1 THR A 186 111.484 -18.211 -0.256 1.00 0.00 H ATOM 1492 H THR A 186 111.264 -20.457 1.385 1.00 0.00 H ATOM 1493 N ALA A 187 114.600 -21.045 2.249 1.00 14.31 N ATOM 1494 CA ALA A 187 115.895 -21.442 2.789 1.00 14.12 C ATOM 1495 C ALA A 187 116.623 -22.456 1.930 1.00 13.65 C ATOM 1496 O ALA A 187 117.864 -22.497 1.955 1.00 14.37 O ATOM 1497 CB ALA A 187 115.799 -21.961 4.212 1.00 15.55 C ATOM 1498 H ALA A 187 113.734 -21.166 2.812 1.00 0.00 H ATOM 1499 N LEU A 188 115.898 -23.238 1.128 1.00 14.28 N ATOM 1500 CA LEU A 188 116.541 -24.207 0.255 1.00 14.00 C ATOM 1501 C LEU A 188 117.335 -23.550 -0.866 1.00 13.84 C ATOM 1502 O LEU A 188 118.186 -24.226 -1.454 1.00 14.45 O ATOM 1503 CB LEU A 188 115.517 -25.218 -0.276 1.00 14.79 C ATOM 1504 CG LEU A 188 115.249 -26.360 0.699 1.00 14.41 C ATOM 1505 CD1 LEU A 188 114.054 -27.184 0.268 1.00 15.42 C ATOM 1506 CD2 LEU A 188 116.454 -27.275 0.817 1.00 16.92 C ATOM 1507 H LEU A 188 114.861 -23.154 1.127 1.00 0.00 H ATOM 1508 N HIS A 189 117.109 -22.267 -1.181 1.00 13.82 N ATOM 1509 CA HIS A 189 118.040 -21.562 -2.065 1.00 13.35 C ATOM 1510 C HIS A 189 119.459 -21.531 -1.517 1.00 13.90 C ATOM 1511 O HIS A 189 120.399 -21.393 -2.314 1.00 14.13 O ATOM 1512 CB HIS A 189 117.514 -20.177 -2.431 1.00 13.07 C ATOM 1513 CG HIS A 189 116.233 -20.210 -3.207 1.00 14.28 C ATOM 1514 ND1 HIS A 189 116.097 -20.896 -4.393 1.00 15.15 N ATOM 1515 CD2 HIS A 189 115.031 -19.629 -2.974 1.00 15.96 C ATOM 1516 CE1 HIS A 189 114.874 -20.725 -4.864 1.00 16.37 C ATOM 1517 NE2 HIS A 189 114.202 -19.974 -4.017 1.00 17.01 N ATOM 1518 H HIS A 189 116.276 -21.774 -0.799 1.00 0.00 H ATOM 1519 N TYR A 190 119.643 -21.665 -0.191 1.00 13.06 N ATOM 1520 CA TYR A 190 120.997 -21.801 0.342 1.00 13.42 C ATOM 1521 C TYR A 190 121.640 -23.096 -0.143 1.00 13.38 C ATOM 1522 O TYR A 190 122.829 -23.133 -0.489 1.00 13.88 O ATOM 1523 CB TYR A 190 120.978 -21.730 1.875 1.00 14.00 C ATOM 1524 CG TYR A 190 122.346 -21.825 2.520 1.00 13.50 C ATOM 1525 CD1 TYR A 190 123.037 -20.695 2.929 1.00 14.15 C ATOM 1526 CD2 TYR A 190 122.952 -23.053 2.689 1.00 14.80 C ATOM 1527 CE1 TYR A 190 124.291 -20.795 3.498 1.00 15.58 C ATOM 1528 CE2 TYR A 190 124.209 -23.164 3.208 1.00 15.66 C ATOM 1529 CZ TYR A 190 124.894 -22.042 3.605 1.00 17.01 C ATOM 1530 OH TYR A 190 126.157 -22.125 4.170 1.00 20.71 O ATOM 1531 HH TYR A 190 126.481 -21.215 4.387 1.00 0.00 H ATOM 1532 H TYR A 190 118.825 -21.672 0.452 1.00 0.00 H ATOM 1533 N ALA A 191 120.868 -24.182 -0.141 1.00 13.75 N ATOM 1534 CA ALA A 191 121.434 -25.450 -0.564 1.00 13.78 C ATOM 1535 C ALA A 191 121.871 -25.359 -2.010 1.00 14.28 C ATOM 1536 O ALA A 191 122.923 -25.891 -2.392 1.00 15.70 O ATOM 1537 CB ALA A 191 120.396 -26.552 -0.435 1.00 15.42 C ATOM 1538 H ALA A 191 119.874 -24.122 0.159 1.00 0.00 H ATOM 1539 N GLU A 192 121.087 -24.657 -2.838 1.00 14.00 N ATOM 1540 CA GLU A 192 121.452 -24.470 -4.238 1.00 14.16 C ATOM 1541 C GLU A 192 122.751 -23.690 -4.361 1.00 14.20 C ATOM 1542 O GLU A 192 123.598 -23.995 -5.207 1.00 15.18 O ATOM 1543 CB GLU A 192 120.362 -23.732 -5.016 1.00 14.66 C ATOM 1544 CG GLU A 192 119.052 -24.529 -5.136 1.00 16.46 C ATOM 1545 CD GLU A 192 117.996 -23.780 -5.883 1.00 18.54 C ATOM 1546 OE1 GLU A 192 117.237 -24.423 -6.633 1.00 24.74 O ATOM 1547 OE2 GLU A 192 117.880 -22.563 -5.737 1.00 18.43 O ATOM 1548 H GLU A 192 120.205 -24.239 -2.478 1.00 0.00 H ATOM 1549 N ALA A 193 122.909 -22.651 -3.537 1.00 15.17 N ATOM 1550 CA ALA A 193 124.089 -21.804 -3.630 1.00 14.48 C ATOM 1551 C ALA A 193 125.357 -22.592 -3.336 1.00 14.90 C ATOM 1552 O ALA A 193 126.393 -22.354 -3.976 1.00 16.02 O ATOM 1553 CB ALA A 193 123.967 -20.615 -2.660 1.00 15.11 C ATOM 1554 H ALA A 193 122.182 -22.445 -2.822 1.00 0.00 H ATOM 1555 N VAL A 194 125.309 -23.494 -2.341 1.00 14.84 N ATOM 1556 CA VAL A 194 126.521 -24.175 -1.905 1.00 15.26 C ATOM 1557 C VAL A 194 126.712 -25.543 -2.536 1.00 15.45 C ATOM 1558 O VAL A 194 127.788 -26.140 -2.353 1.00 17.40 O ATOM 1559 CB VAL A 194 126.643 -24.295 -0.374 1.00 15.67 C ATOM 1560 CG1 VAL A 194 126.580 -22.917 0.272 1.00 18.98 C ATOM 1561 CG2 VAL A 194 125.573 -25.216 0.181 1.00 15.90 C ATOM 1562 H VAL A 194 124.402 -23.707 -1.880 1.00 0.00 H ATOM 1563 N ALA A 195 125.729 -26.055 -3.276 1.00 15.64 N ATOM 1564 CA ALA A 195 125.846 -27.402 -3.837 1.00 16.68 C ATOM 1565 C ALA A 195 127.008 -27.487 -4.811 1.00 16.61 C ATOM 1566 O ALA A 195 127.166 -26.627 -5.669 1.00 17.30 O ATOM 1567 CB ALA A 195 124.551 -27.775 -4.546 1.00 17.56 C ATOM 1568 H ALA A 195 124.872 -25.493 -3.456 1.00 0.00 H ATOM 1569 N ARG A 196 127.803 -28.555 -4.666 1.00 17.35 N ATOM 1570 CA ARG A 196 129.000 -28.797 -5.477 1.00 17.47 C ATOM 1571 C ARG A 196 128.592 -29.605 -6.702 1.00 18.89 C ATOM 1572 O ARG A 196 128.818 -30.817 -6.813 1.00 21.87 O ATOM 1573 CB ARG A 196 130.029 -29.550 -4.645 1.00 17.77 C ATOM 1574 CG ARG A 196 130.582 -28.784 -3.465 1.00 17.77 C ATOM 1575 CD ARG A 196 131.353 -29.688 -2.563 1.00 17.57 C ATOM 1576 NE ARG A 196 132.026 -28.922 -1.532 1.00 17.00 N ATOM 1577 CZ ARG A 196 132.699 -29.459 -0.532 1.00 16.79 C ATOM 1578 NH1 ARG A 196 132.811 -30.772 -0.419 1.00 17.89 N ATOM 1579 NH2 ARG A 196 133.284 -28.666 0.342 1.00 18.54 N ATOM 1580 HE ARG A 196 131.975 -27.885 -1.584 1.00 0.00 H ATOM 1581 HH12 ARG A 196 133.344 -31.182 0.374 1.00 0.00 H ATOM 1582 HH11 ARG A 196 132.366 -31.394 -1.123 1.00 0.00 H ATOM 1583 HH22 ARG A 196 133.819 -29.072 1.136 1.00 0.00 H ATOM 1584 HH21 ARG A 196 133.211 -27.634 0.238 1.00 0.00 H ATOM 1585 H ARG A 196 127.557 -29.253 -3.936 1.00 0.00 H ATOM 1586 N ILE A 197 127.933 -28.910 -7.614 1.00 19.01 N ATOM 1587 CA ILE A 197 127.362 -29.516 -8.803 1.00 19.92 C ATOM 1588 C ILE A 197 127.746 -28.700 -10.022 1.00 20.91 C ATOM 1589 O ILE A 197 127.992 -27.493 -9.943 1.00 20.14 O ATOM 1590 CB ILE A 197 125.839 -29.698 -8.705 1.00 21.14 C ATOM 1591 CG1 ILE A 197 125.132 -28.346 -8.615 1.00 21.52 C ATOM 1592 CG2 ILE A 197 125.490 -30.621 -7.539 1.00 23.12 C ATOM 1593 CD1 ILE A 197 123.582 -28.484 -8.543 1.00 22.27 C ATOM 1594 H ILE A 197 127.819 -27.886 -7.473 1.00 0.00 H ATOM 1595 N GLU A 198 127.813 -29.388 -11.158 1.00 23.25 N ATOM 1596 CA GLU A 198 128.151 -28.733 -12.406 1.00 26.07 C ATOM 1597 C GLU A 198 126.918 -28.101 -13.043 1.00 24.68 C ATOM 1598 O GLU A 198 125.789 -28.563 -12.857 1.00 25.62 O ATOM 1599 CB GLU A 198 128.780 -29.750 -13.369 1.00 34.59 C ATOM 1600 CG GLU A 198 127.876 -30.915 -13.739 1.00 42.94 C ATOM 1601 CD GLU A 198 128.560 -31.980 -14.603 1.00 52.56 C ATOM 1602 OE1 GLU A 198 129.788 -31.906 -14.814 1.00 55.39 O ATOM 1603 OE2 GLU A 198 127.855 -32.900 -15.070 1.00 55.79 O ATOM 1604 H GLU A 198 127.620 -30.410 -11.151 1.00 0.00 H ATOM 1605 N GLY A 199 127.157 -27.058 -13.830 1.00 24.08 N ATOM 1606 CA GLY A 199 126.118 -26.450 -14.633 1.00 22.87 C ATOM 1607 C GLY A 199 125.263 -25.448 -13.912 1.00 21.75 C ATOM 1608 O GLY A 199 124.156 -25.173 -14.360 1.00 22.72 O ATOM 1609 H GLY A 199 128.120 -26.667 -13.870 1.00 0.00 H ATOM 1610 N LYS A 200 125.702 -24.950 -12.778 1.00 19.48 N ATOM 1611 CA LYS A 200 124.842 -24.052 -12.025 1.00 18.01 C ATOM 1612 C LYS A 200 124.580 -22.753 -12.782 1.00 18.21 C ATOM 1613 O LYS A 200 125.508 -22.102 -13.279 1.00 20.63 O ATOM 1614 CB LYS A 200 125.465 -23.778 -10.659 1.00 18.25 C ATOM 1615 CG LYS A 200 125.540 -25.039 -9.776 1.00 18.04 C ATOM 1616 CD LYS A 200 126.483 -24.830 -8.580 1.00 19.13 C ATOM 1617 CE LYS A 200 125.877 -23.940 -7.547 1.00 18.85 C ATOM 1618 NZ LYS A 200 126.645 -23.927 -6.289 1.00 18.47 N ATOM 1619 HZ1 LYS A 200 126.684 -24.890 -5.898 1.00 0.00 H ATOM 1620 HZ2 LYS A 200 127.610 -23.588 -6.477 1.00 0.00 H ATOM 1621 HZ3 LYS A 200 126.181 -23.294 -5.607 1.00 0.00 H ATOM 1622 H LYS A 200 126.649 -25.194 -12.425 1.00 0.00 H ATOM 1623 N ARG A 201 123.316 -22.345 -12.789 1.00 17.69 N ATOM 1624 CA ARG A 201 122.897 -21.149 -13.490 1.00 18.29 C ATOM 1625 C ARG A 201 123.105 -19.922 -12.621 1.00 17.95 C ATOM 1626 O ARG A 201 122.876 -19.950 -11.397 1.00 17.85 O ATOM 1627 CB ARG A 201 121.409 -21.257 -13.815 1.00 19.66 C ATOM 1628 CG ARG A 201 121.095 -22.298 -14.873 1.00 21.26 C ATOM 1629 CD ARG A 201 119.626 -22.582 -14.958 1.00 22.20 C ATOM 1630 NE ARG A 201 118.826 -21.397 -15.220 1.00 23.34 N ATOM 1631 CZ ARG A 201 118.325 -21.075 -16.400 1.00 26.47 C ATOM 1632 NH1 ARG A 201 118.584 -21.829 -17.452 1.00 26.65 N ATOM 1633 NH2 ARG A 201 117.582 -19.990 -16.538 1.00 28.61 N ATOM 1634 HE ARG A 201 118.634 -20.757 -14.423 1.00 0.00 H ATOM 1635 HH12 ARG A 201 118.191 -21.578 -18.381 1.00 0.00 H ATOM 1636 HH11 ARG A 201 119.181 -22.674 -17.351 1.00 0.00 H ATOM 1637 HH22 ARG A 201 117.191 -19.743 -17.469 1.00 0.00 H ATOM 1638 HH21 ARG A 201 117.389 -19.384 -15.715 1.00 0.00 H ATOM 1639 H ARG A 201 122.604 -22.902 -12.275 1.00 0.00 H ATOM 1640 N ARG A 202 123.536 -18.841 -13.258 1.00 18.22 N ATOM 1641 CA ARG A 202 123.691 -17.552 -12.635 1.00 18.54 C ATOM 1642 C ARG A 202 122.912 -16.532 -13.447 1.00 19.08 C ATOM 1643 O ARG A 202 122.586 -16.729 -14.622 1.00 21.48 O ATOM 1644 CB ARG A 202 125.166 -17.160 -12.531 1.00 20.27 C ATOM 1645 CG ARG A 202 125.905 -18.132 -11.619 1.00 20.91 C ATOM 1646 CD ARG A 202 127.327 -17.726 -11.424 1.00 21.04 C ATOM 1647 NE ARG A 202 127.519 -16.428 -10.780 1.00 20.51 N ATOM 1648 CZ ARG A 202 127.448 -16.203 -9.476 1.00 19.52 C ATOM 1649 NH1 ARG A 202 127.129 -17.188 -8.644 1.00 19.81 N ATOM 1650 NH2 ARG A 202 127.678 -14.989 -9.001 1.00 19.82 N ATOM 1651 HE ARG A 202 127.728 -15.616 -11.395 1.00 0.00 H ATOM 1652 HH12 ARG A 202 127.074 -17.008 -7.621 1.00 0.00 H ATOM 1653 HH11 ARG A 202 126.934 -18.140 -9.015 1.00 0.00 H ATOM 1654 HH22 ARG A 202 127.622 -14.812 -7.978 1.00 0.00 H ATOM 1655 HH21 ARG A 202 127.914 -14.212 -9.651 1.00 0.00 H ATOM 1656 H ARG A 202 123.776 -18.930 -14.266 1.00 0.00 H ATOM 1657 N VAL A 203 122.575 -15.444 -12.778 1.00 18.75 N ATOM 1658 CA VAL A 203 121.877 -14.322 -13.383 1.00 18.62 C ATOM 1659 C VAL A 203 122.653 -13.060 -13.049 1.00 18.98 C ATOM 1660 O VAL A 203 123.321 -12.960 -12.021 1.00 19.27 O ATOM 1661 CB VAL A 203 120.435 -14.191 -12.839 1.00 19.62 C ATOM 1662 CG1 VAL A 203 119.555 -15.298 -13.348 1.00 21.16 C ATOM 1663 CG2 VAL A 203 120.423 -14.135 -11.332 1.00 20.00 C ATOM 1664 H VAL A 203 122.821 -15.388 -11.769 1.00 0.00 H ATOM 1665 N THR A 204 122.490 -12.051 -13.897 1.00 19.01 N ATOM 1666 CA THR A 204 123.013 -10.718 -13.648 1.00 19.43 C ATOM 1667 C THR A 204 121.833 -9.755 -13.618 1.00 18.53 C ATOM 1668 O THR A 204 120.929 -9.842 -14.458 1.00 19.93 O ATOM 1669 CB THR A 204 124.014 -10.300 -14.735 1.00 20.94 C ATOM 1670 OG1 THR A 204 125.177 -11.146 -14.696 1.00 22.90 O ATOM 1671 CG2 THR A 204 124.434 -8.847 -14.579 1.00 22.94 C ATOM 1672 HG1 THR A 204 124.906 -12.085 -14.850 1.00 0.00 H ATOM 1673 H THR A 204 121.965 -12.222 -14.778 1.00 0.00 H ATOM 1674 N TYR A 205 121.798 -8.884 -12.613 1.00 17.20 N ATOM 1675 CA TYR A 205 120.744 -7.877 -12.515 1.00 17.01 C ATOM 1676 C TYR A 205 121.307 -6.668 -11.796 1.00 18.02 C ATOM 1677 O TYR A 205 122.430 -6.690 -11.288 1.00 17.69 O ATOM 1678 CB TYR A 205 119.480 -8.429 -11.858 1.00 17.46 C ATOM 1679 CG TYR A 205 119.685 -9.083 -10.524 1.00 17.72 C ATOM 1680 CD1 TYR A 205 119.832 -10.438 -10.416 1.00 18.38 C ATOM 1681 CD2 TYR A 205 119.688 -8.337 -9.363 1.00 17.96 C ATOM 1682 CE1 TYR A 205 119.982 -11.043 -9.175 1.00 17.92 C ATOM 1683 CE2 TYR A 205 119.860 -8.932 -8.125 1.00 18.30 C ATOM 1684 CZ TYR A 205 120.013 -10.283 -8.045 1.00 16.89 C ATOM 1685 OH TYR A 205 120.156 -10.871 -6.805 1.00 18.08 O ATOM 1686 HH TYR A 205 120.256 -11.850 -6.915 1.00 0.00 H ATOM 1687 H TYR A 205 122.537 -8.921 -11.882 1.00 0.00 H ATOM 1688 N SER A 206 120.498 -5.607 -11.731 1.00 18.16 N ATOM 1689 CA SER A 206 120.928 -4.350 -11.145 1.00 17.86 C ATOM 1690 C SER A 206 119.856 -3.810 -10.219 1.00 17.12 C ATOM 1691 O SER A 206 118.656 -3.939 -10.496 1.00 18.12 O ATOM 1692 CB SER A 206 121.183 -3.283 -12.220 1.00 20.41 C ATOM 1693 OG SER A 206 122.186 -3.673 -13.138 1.00 21.44 O ATOM 1694 HG SER A 206 121.909 -4.507 -13.593 1.00 0.00 H ATOM 1695 H SER A 206 119.533 -5.683 -12.111 1.00 0.00 H ATOM 1696 N MET A 207 120.304 -3.340 -9.062 1.00 18.44 N ATOM 1697 CA MET A 207 119.417 -2.773 -8.070 1.00 18.07 C ATOM 1698 C MET A 207 119.854 -1.372 -7.680 1.00 19.56 C ATOM 1699 O MET A 207 121.051 -1.097 -7.591 1.00 19.40 O ATOM 1700 CB MET A 207 119.444 -3.646 -6.808 1.00 18.51 C ATOM 1701 CG MET A 207 118.847 -5.028 -7.007 1.00 18.25 C ATOM 1702 SD MET A 207 117.039 -4.997 -7.203 1.00 18.36 S ATOM 1703 CE MET A 207 116.798 -6.057 -8.616 1.00 18.55 C ATOM 1704 H MET A 207 121.324 -3.380 -8.862 1.00 0.00 H ATOM 1705 N PRO A 208 118.904 -0.484 -7.399 1.00 19.69 N ATOM 1706 CA PRO A 208 119.263 0.872 -6.977 1.00 19.53 C ATOM 1707 C PRO A 208 119.271 0.966 -5.463 1.00 21.17 C ATOM 1708 O PRO A 208 118.229 0.765 -4.818 1.00 21.98 O ATOM 1709 CB PRO A 208 118.159 1.711 -7.613 1.00 19.35 C ATOM 1710 CG PRO A 208 116.960 0.819 -7.610 1.00 19.98 C ATOM 1711 CD PRO A 208 117.455 -0.623 -7.612 1.00 21.19 C ATOM 1712 N LEU A 209 120.443 1.238 -4.889 1.00 24.04 N ATOM 1713 CA LEU A 209 120.621 1.256 -3.443 1.00 25.14 C ATOM 1714 C LEU A 209 120.736 2.701 -2.978 1.00 24.37 C ATOM 1715 O LEU A 209 121.039 3.598 -3.763 1.00 26.51 O ATOM 1716 CB LEU A 209 121.906 0.516 -3.032 1.00 28.59 C ATOM 1717 CG LEU A 209 122.094 -0.925 -3.456 1.00 35.23 C ATOM 1718 CD1 LEU A 209 123.402 -1.473 -2.871 1.00 37.85 C ATOM 1719 CD2 LEU A 209 120.938 -1.779 -3.025 1.00 37.94 C ATOM 1720 H LEU A 209 121.261 1.445 -5.496 1.00 0.00 H ATOM 1721 N LEU A 210 120.543 2.920 -1.685 1.00 25.57 N ATOM 1722 CA LEU A 210 120.851 4.201 -1.060 1.00 28.79 C ATOM 1723 C LEU A 210 122.195 4.070 -0.357 1.00 32.74 C ATOM 1724 O LEU A 210 122.401 3.148 0.443 1.00 33.88 O ATOM 1725 CB LEU A 210 119.793 4.603 -0.035 1.00 30.84 C ATOM 1726 CG LEU A 210 118.502 5.237 -0.524 1.00 33.87 C ATOM 1727 CD1 LEU A 210 117.555 5.380 0.667 1.00 33.86 C ATOM 1728 CD2 LEU A 210 118.765 6.573 -1.185 1.00 35.02 C ATOM 1729 H LEU A 210 120.159 2.153 -1.097 1.00 0.00 H ATOM 1730 N ARG A 211 123.102 4.991 -0.652 1.00 35.96 N ATOM 1731 CA ARG A 211 124.411 5.041 -0.011 1.00 40.47 C ATOM 1732 C ARG A 211 124.669 6.501 0.325 1.00 42.35 C ATOM 1733 O ARG A 211 124.830 7.331 -0.577 1.00 40.51 O ATOM 1734 CB ARG A 211 125.482 4.461 -0.931 1.00 43.77 C ATOM 1735 CG ARG A 211 125.435 2.935 -0.983 1.00 47.05 C ATOM 1736 CD ARG A 211 126.484 2.329 -1.899 1.00 49.11 C ATOM 1737 NE ARG A 211 126.454 0.867 -1.850 1.00 50.41 N ATOM 1738 CZ ARG A 211 127.155 0.074 -2.654 1.00 50.32 C ATOM 1739 NH1 ARG A 211 127.942 0.597 -3.579 1.00 49.59 N ATOM 1740 NH2 ARG A 211 127.069 -1.245 -2.533 1.00 50.64 N ATOM 1741 HE ARG A 211 125.843 0.418 -1.138 1.00 0.00 H ATOM 1742 HH12 ARG A 211 128.490 -0.024 -4.208 1.00 0.00 H ATOM 1743 HH11 ARG A 211 128.013 1.630 -3.678 1.00 0.00 H ATOM 1744 HH22 ARG A 211 127.619 -1.862 -3.164 1.00 0.00 H ATOM 1745 HH21 ARG A 211 126.451 -1.661 -1.807 1.00 0.00 H ATOM 1746 H ARG A 211 122.871 5.707 -1.370 1.00 0.00 H ATOM 1747 N GLU A 212 124.657 6.820 1.618 1.00 46.15 N ATOM 1748 CA GLU A 212 124.784 8.199 2.073 1.00 51.08 C ATOM 1749 C GLU A 212 123.776 9.097 1.354 1.00 48.44 C ATOM 1750 O GLU A 212 124.114 10.146 0.805 1.00 48.29 O ATOM 1751 CB GLU A 212 126.226 8.692 1.917 1.00 57.51 C ATOM 1752 CG GLU A 212 127.201 8.036 2.903 1.00 63.14 C ATOM 1753 CD GLU A 212 128.666 8.127 2.490 1.00 67.64 C ATOM 1754 OE1 GLU A 212 129.458 7.265 2.929 1.00 69.23 O ATOM 1755 OE2 GLU A 212 129.032 9.054 1.741 1.00 69.22 O ATOM 1756 H GLU A 212 124.554 6.063 2.324 1.00 0.00 H ATOM 1757 N GLY A 213 122.520 8.655 1.348 1.00 46.32 N ATOM 1758 CA GLY A 213 121.416 9.451 0.854 1.00 45.41 C ATOM 1759 C GLY A 213 121.305 9.548 -0.649 1.00 43.87 C ATOM 1760 O GLY A 213 120.380 10.213 -1.143 1.00 44.92 O ATOM 1761 H GLY A 213 122.324 7.701 1.712 1.00 0.00 H ATOM 1762 N LYS A 214 122.208 8.915 -1.395 1.00 41.26 N ATOM 1763 CA LYS A 214 122.235 9.020 -2.847 1.00 39.15 C ATOM 1764 C LYS A 214 121.926 7.669 -3.473 1.00 31.82 C ATOM 1765 O LYS A 214 122.325 6.622 -2.947 1.00 31.69 O ATOM 1766 CB LYS A 214 123.613 9.485 -3.346 1.00 45.43 C ATOM 1767 CG LYS A 214 124.296 10.501 -2.427 1.00 53.35 C ATOM 1768 CD LYS A 214 124.914 11.669 -3.187 1.00 60.98 C ATOM 1769 CE LYS A 214 125.235 12.833 -2.243 1.00 68.35 C ATOM 1770 NZ LYS A 214 124.075 13.288 -1.424 1.00 71.94 N ATOM 1771 HZ1 LYS A 214 123.311 13.605 -2.054 1.00 0.00 H ATOM 1772 HZ2 LYS A 214 123.737 12.500 -0.836 1.00 0.00 H ATOM 1773 HZ3 LYS A 214 124.371 14.076 -0.813 1.00 0.00 H ATOM 1774 H LYS A 214 122.921 8.323 -0.923 1.00 0.00 H ATOM 1775 N ARG A 215 121.225 7.702 -4.606 1.00 28.73 N ATOM 1776 CA ARG A 215 120.950 6.479 -5.345 1.00 27.01 C ATOM 1777 C ARG A 215 122.213 6.016 -6.062 1.00 26.78 C ATOM 1778 O ARG A 215 122.853 6.786 -6.793 1.00 27.42 O ATOM 1779 CB ARG A 215 119.820 6.698 -6.352 1.00 26.00 C ATOM 1780 CG ARG A 215 119.474 5.432 -7.149 1.00 25.74 C ATOM 1781 CD ARG A 215 118.476 5.643 -8.268 1.00 27.59 C ATOM 1782 NE ARG A 215 118.941 6.627 -9.249 1.00 28.18 N ATOM 1783 CZ ARG A 215 118.224 7.037 -10.284 1.00 30.13 C ATOM 1784 NH1 ARG A 215 117.029 6.523 -10.503 1.00 32.56 N ATOM 1785 NH2 ARG A 215 118.708 7.955 -11.112 1.00 32.86 N ATOM 1786 HE ARG A 215 119.893 7.028 -9.125 1.00 0.00 H ATOM 1787 HH12 ARG A 215 116.466 6.845 -11.316 1.00 0.00 H ATOM 1788 HH11 ARG A 215 116.650 5.796 -9.863 1.00 0.00 H ATOM 1789 HH22 ARG A 215 118.141 8.274 -11.924 1.00 0.00 H ATOM 1790 HH21 ARG A 215 119.654 8.355 -10.949 1.00 0.00 H ATOM 1791 H ARG A 215 120.871 8.611 -4.966 1.00 0.00 H ATOM 1792 N VAL A 216 122.559 4.746 -5.864 1.00 25.94 N ATOM 1793 CA VAL A 216 123.709 4.124 -6.503 1.00 26.51 C ATOM 1794 C VAL A 216 123.205 2.839 -7.139 1.00 23.97 C ATOM 1795 O VAL A 216 122.690 1.960 -6.439 1.00 24.96 O ATOM 1796 CB VAL A 216 124.820 3.795 -5.493 1.00 30.08 C ATOM 1797 CG1 VAL A 216 125.979 3.094 -6.180 1.00 32.41 C ATOM 1798 CG2 VAL A 216 125.273 5.036 -4.756 1.00 31.50 C ATOM 1799 H VAL A 216 121.979 4.170 -5.221 1.00 0.00 H ATOM 1800 N TRP A 217 123.330 2.731 -8.449 1.00 21.68 N ATOM 1801 CA TRP A 217 123.028 1.474 -9.114 1.00 21.87 C ATOM 1802 C TRP A 217 124.154 0.468 -8.906 1.00 22.32 C ATOM 1803 O TRP A 217 125.333 0.776 -9.122 1.00 24.34 O ATOM 1804 CB TRP A 217 122.773 1.675 -10.603 1.00 22.13 C ATOM 1805 CG TRP A 217 121.413 2.207 -10.906 1.00 21.10 C ATOM 1806 CD1 TRP A 217 121.072 3.525 -11.190 1.00 22.20 C ATOM 1807 CD2 TRP A 217 120.201 1.462 -10.986 1.00 20.52 C ATOM 1808 NE1 TRP A 217 119.736 3.617 -11.437 1.00 21.56 N ATOM 1809 CE2 TRP A 217 119.163 2.378 -11.286 1.00 19.87 C ATOM 1810 CE3 TRP A 217 119.878 0.114 -10.799 1.00 20.03 C ATOM 1811 CZ2 TRP A 217 117.844 1.983 -11.455 1.00 21.21 C ATOM 1812 CZ3 TRP A 217 118.562 -0.277 -10.966 1.00 20.33 C ATOM 1813 CH2 TRP A 217 117.558 0.656 -11.291 1.00 20.23 C ATOM 1814 HE1 TRP A 217 119.230 4.487 -11.698 1.00 0.00 H ATOM 1815 H TRP A 217 123.646 3.549 -9.008 1.00 0.00 H ATOM 1816 N VAL A 218 123.790 -0.745 -8.501 1.00 21.19 N ATOM 1817 CA VAL A 218 124.756 -1.816 -8.310 1.00 21.54 C ATOM 1818 C VAL A 218 124.352 -2.962 -9.216 1.00 22.41 C ATOM 1819 O VAL A 218 123.217 -3.444 -9.137 1.00 21.77 O ATOM 1820 CB VAL A 218 124.825 -2.285 -6.848 1.00 23.24 C ATOM 1821 CG1 VAL A 218 125.777 -3.465 -6.720 1.00 24.14 C ATOM 1822 CG2 VAL A 218 125.261 -1.125 -5.954 1.00 26.04 C ATOM 1823 H VAL A 218 122.784 -0.934 -8.315 1.00 0.00 H ATOM 1824 N THR A 219 125.283 -3.414 -10.048 1.00 22.61 N ATOM 1825 CA THR A 219 125.077 -4.583 -10.885 1.00 23.47 C ATOM 1826 C THR A 219 125.873 -5.746 -10.300 1.00 23.98 C ATOM 1827 O THR A 219 127.027 -5.581 -9.885 1.00 27.28 O ATOM 1828 CB THR A 219 125.544 -4.307 -12.329 1.00 24.68 C ATOM 1829 OG1 THR A 219 124.858 -3.159 -12.859 1.00 25.25 O ATOM 1830 CG2 THR A 219 125.269 -5.485 -13.246 1.00 25.68 C ATOM 1831 HG1 THR A 219 123.883 -3.330 -12.859 1.00 0.00 H ATOM 1832 H THR A 219 126.193 -2.913 -10.102 1.00 0.00 H ATOM 1833 N THR A 220 125.229 -6.911 -10.221 1.00 20.63 N ATOM 1834 CA THR A 220 125.858 -8.079 -9.622 1.00 21.04 C ATOM 1835 C THR A 220 125.397 -9.317 -10.361 1.00 20.17 C ATOM 1836 O THR A 220 124.412 -9.294 -11.092 1.00 22.53 O ATOM 1837 CB THR A 220 125.434 -8.235 -8.152 1.00 22.81 C ATOM 1838 OG1 THR A 220 126.290 -9.173 -7.488 1.00 24.42 O ATOM 1839 CG2 THR A 220 123.992 -8.732 -8.041 1.00 22.10 C ATOM 1840 HG1 THR A 220 126.227 -10.052 -7.939 1.00 0.00 H ATOM 1841 H THR A 220 124.261 -6.986 -10.594 1.00 0.00 H ATOM 1842 N SER A 221 126.133 -10.408 -10.192 1.00 18.34 N ATOM 1843 CA SER A 221 125.636 -11.724 -10.541 1.00 17.25 C ATOM 1844 C SER A 221 125.382 -12.513 -9.258 1.00 16.98 C ATOM 1845 O SER A 221 125.910 -12.222 -8.180 1.00 18.65 O ATOM 1846 CB SER A 221 126.637 -12.461 -11.434 1.00 19.45 C ATOM 1847 OG SER A 221 127.814 -12.736 -10.728 1.00 22.70 O ATOM 1848 HG SER A 221 128.220 -11.887 -10.422 1.00 0.00 H ATOM 1849 H SER A 221 127.091 -10.316 -9.799 1.00 0.00 H ATOM 1850 N ASP A 222 124.518 -13.505 -9.375 1.00 15.53 N ATOM 1851 CA ASP A 222 124.251 -14.403 -8.255 1.00 15.80 C ATOM 1852 C ASP A 222 123.676 -15.683 -8.851 1.00 15.19 C ATOM 1853 O ASP A 222 123.374 -15.772 -10.038 1.00 16.39 O ATOM 1854 CB ASP A 222 123.309 -13.746 -7.233 1.00 15.35 C ATOM 1855 CG ASP A 222 123.576 -14.195 -5.811 1.00 15.76 C ATOM 1856 OD1 ASP A 222 124.149 -15.296 -5.593 1.00 16.66 O ATOM 1857 OD2 ASP A 222 123.176 -13.478 -4.862 1.00 15.79 O ATOM 1858 H ASP A 222 124.021 -13.649 -10.277 1.00 0.00 H ATOM 1859 N TRP A 223 123.532 -16.691 -8.016 1.00 16.22 N ATOM 1860 CA TRP A 223 122.842 -17.892 -8.449 1.00 16.19 C ATOM 1861 C TRP A 223 121.416 -17.599 -8.892 1.00 15.89 C ATOM 1862 O TRP A 223 120.731 -16.742 -8.334 1.00 17.04 O ATOM 1863 CB TRP A 223 122.804 -18.905 -7.303 1.00 16.15 C ATOM 1864 CG TRP A 223 124.179 -19.163 -6.748 1.00 15.80 C ATOM 1865 CD1 TRP A 223 124.625 -18.847 -5.523 1.00 15.94 C ATOM 1866 CD2 TRP A 223 125.290 -19.727 -7.456 1.00 17.11 C ATOM 1867 NE1 TRP A 223 125.954 -19.189 -5.409 1.00 17.49 N ATOM 1868 CE2 TRP A 223 126.380 -19.745 -6.579 1.00 17.74 C ATOM 1869 CE3 TRP A 223 125.449 -20.234 -8.737 1.00 18.13 C ATOM 1870 CZ2 TRP A 223 127.629 -20.242 -6.939 1.00 19.44 C ATOM 1871 CZ3 TRP A 223 126.706 -20.721 -9.105 1.00 19.16 C ATOM 1872 CH2 TRP A 223 127.772 -20.716 -8.198 1.00 19.51 C ATOM 1873 HE1 TRP A 223 126.541 -19.046 -4.563 1.00 0.00 H ATOM 1874 H TRP A 223 123.911 -16.627 -7.050 1.00 0.00 H ATOM 1875 N ASP A 224 120.963 -18.325 -9.899 1.00 15.54 N ATOM 1876 CA ASP A 224 119.607 -18.167 -10.404 1.00 16.10 C ATOM 1877 C ASP A 224 118.638 -18.727 -9.367 1.00 17.45 C ATOM 1878 O ASP A 224 118.560 -19.946 -9.176 1.00 18.85 O ATOM 1879 CB ASP A 224 119.501 -18.864 -11.757 1.00 16.81 C ATOM 1880 CG ASP A 224 118.211 -18.590 -12.460 1.00 18.78 C ATOM 1881 OD1 ASP A 224 117.286 -18.015 -11.858 1.00 18.72 O ATOM 1882 OD2 ASP A 224 118.142 -18.926 -13.677 1.00 20.00 O ATOM 1883 H ASP A 224 121.591 -19.026 -10.341 1.00 0.00 H ATOM 1884 N SER A 225 117.870 -17.833 -8.733 1.00 16.87 N ATOM 1885 CA SER A 225 116.905 -18.297 -7.753 1.00 17.07 C ATOM 1886 C SER A 225 115.638 -18.825 -8.403 1.00 17.19 C ATOM 1887 O SER A 225 114.743 -19.271 -7.684 1.00 18.78 O ATOM 1888 CB SER A 225 116.566 -17.200 -6.737 1.00 17.27 C ATOM 1889 OG SER A 225 115.845 -16.137 -7.338 1.00 17.19 O ATOM 1890 HG SER A 225 116.391 -15.737 -8.061 1.00 0.00 H ATOM 1891 H SER A 225 117.963 -16.818 -8.940 1.00 0.00 H ATOM 1892 N ASN A 226 115.521 -18.779 -9.736 1.00 17.18 N ATOM 1893 CA ASN A 226 114.405 -19.419 -10.414 1.00 19.16 C ATOM 1894 C ASN A 226 114.754 -20.782 -10.988 1.00 21.49 C ATOM 1895 O ASN A 226 114.012 -21.300 -11.828 1.00 28.68 O ATOM 1896 CB ASN A 226 113.836 -18.472 -11.461 1.00 19.83 C ATOM 1897 CG ASN A 226 113.011 -17.398 -10.845 1.00 20.18 C ATOM 1898 OD1 ASN A 226 112.080 -17.685 -10.102 1.00 21.79 O ATOM 1899 ND2 ASN A 226 113.333 -16.156 -11.132 1.00 21.26 N ATOM 1900 HD22 ASN A 226 114.132 -15.960 -11.768 1.00 0.00 H ATOM 1901 HD21 ASN A 226 112.789 -15.370 -10.723 1.00 0.00 H ATOM 1902 H ASN A 226 116.240 -18.277 -10.296 1.00 0.00 H ATOM 1903 N GLY A 227 115.841 -21.389 -10.522 1.00 21.62 N ATOM 1904 CA GLY A 227 116.231 -22.721 -10.953 1.00 24.08 C ATOM 1905 C GLY A 227 117.733 -22.845 -11.062 1.00 21.11 C ATOM 1906 O GLY A 227 118.335 -22.182 -11.894 1.00 20.07 O ATOM 1907 H GLY A 227 116.433 -20.894 -9.825 1.00 0.00 H ATOM 1908 N ILE A 228 118.341 -23.709 -10.250 1.00 20.09 N ATOM 1909 CA ILE A 228 119.792 -23.731 -10.159 1.00 19.31 C ATOM 1910 C ILE A 228 120.391 -24.430 -11.372 1.00 17.84 C ATOM 1911 O ILE A 228 121.536 -24.156 -11.722 1.00 18.71 O ATOM 1912 CB ILE A 228 120.253 -24.323 -8.811 1.00 19.92 C ATOM 1913 CG1 ILE A 228 121.735 -24.028 -8.589 1.00 20.50 C ATOM 1914 CG2 ILE A 228 119.901 -25.810 -8.714 1.00 20.27 C ATOM 1915 CD1 ILE A 228 122.119 -22.611 -8.512 1.00 21.30 C ATOM 1916 H ILE A 228 117.776 -24.370 -9.679 1.00 0.00 H ATOM 1917 N LEU A 229 119.649 -25.350 -12.001 1.00 18.71 N ATOM 1918 CA LEU A 229 120.054 -26.007 -13.242 1.00 19.55 C ATOM 1919 C LEU A 229 118.944 -25.822 -14.259 1.00 21.16 C ATOM 1920 O LEU A 229 117.793 -25.568 -13.892 1.00 19.52 O ATOM 1921 CB LEU A 229 120.282 -27.500 -13.072 1.00 19.43 C ATOM 1922 CG LEU A 229 121.321 -27.973 -12.063 1.00 20.52 C ATOM 1923 CD1 LEU A 229 121.402 -29.505 -12.114 1.00 20.92 C ATOM 1924 CD2 LEU A 229 122.661 -27.355 -12.317 1.00 22.20 C ATOM 1925 H LEU A 229 118.733 -25.612 -11.583 1.00 0.00 H ATOM 1926 N ASP A 230 119.289 -26.020 -15.545 1.00 21.78 N ATOM 1927 CA ASP A 230 118.315 -25.825 -16.617 1.00 22.60 C ATOM 1928 C ASP A 230 117.054 -26.650 -16.381 1.00 22.10 C ATOM 1929 O ASP A 230 115.938 -26.157 -16.575 1.00 23.45 O ATOM 1930 CB ASP A 230 118.932 -26.218 -17.969 1.00 24.07 C ATOM 1931 CG ASP A 230 120.078 -25.315 -18.391 1.00 25.17 C ATOM 1932 OD1 ASP A 230 120.169 -24.179 -17.901 1.00 24.17 O ATOM 1933 OD2 ASP A 230 120.876 -25.733 -19.270 1.00 27.16 O ATOM 1934 H ASP A 230 120.259 -26.315 -15.778 1.00 0.00 H ATOM 1935 N GLU A 231 117.204 -27.876 -15.859 1.00 21.43 N ATOM 1936 CA GLU A 231 116.051 -28.757 -15.704 1.00 22.38 C ATOM 1937 C GLU A 231 115.152 -28.349 -14.549 1.00 23.96 C ATOM 1938 O GLU A 231 114.067 -28.917 -14.417 1.00 24.45 O ATOM 1939 CB GLU A 231 116.512 -30.194 -15.494 1.00 24.55 C ATOM 1940 CG GLU A 231 117.351 -30.382 -14.236 1.00 25.66 C ATOM 1941 CD GLU A 231 118.129 -31.676 -14.262 1.00 28.27 C ATOM 1942 OE1 GLU A 231 117.610 -32.702 -13.780 1.00 28.87 O ATOM 1943 OE2 GLU A 231 119.260 -31.675 -14.775 1.00 29.68 O ATOM 1944 H GLU A 231 118.147 -28.201 -15.563 1.00 0.00 H ATOM 1945 N TYR A 232 115.581 -27.399 -13.718 1.00 22.48 N ATOM 1946 CA TYR A 232 114.763 -26.864 -12.638 1.00 22.00 C ATOM 1947 C TYR A 232 114.213 -25.474 -12.932 1.00 23.00 C ATOM 1948 O TYR A 232 113.588 -24.863 -12.052 1.00 22.70 O ATOM 1949 CB TYR A 232 115.578 -26.806 -11.343 1.00 20.20 C ATOM 1950 CG TYR A 232 116.090 -28.129 -10.927 1.00 19.91 C ATOM 1951 CD1 TYR A 232 117.442 -28.354 -10.726 1.00 19.82 C ATOM 1952 CD2 TYR A 232 115.218 -29.184 -10.730 1.00 21.40 C ATOM 1953 CE1 TYR A 232 117.900 -29.572 -10.336 1.00 20.68 C ATOM 1954 CE2 TYR A 232 115.682 -30.423 -10.374 1.00 22.34 C ATOM 1955 CZ TYR A 232 117.022 -30.617 -10.182 1.00 21.76 C ATOM 1956 OH TYR A 232 117.503 -31.867 -9.837 1.00 24.44 O ATOM 1957 HH TYR A 232 118.487 -31.825 -9.739 1.00 0.00 H ATOM 1958 H TYR A 232 116.542 -27.023 -13.846 1.00 0.00 H ATOM 1959 N ALA A 233 114.442 -24.948 -14.133 1.00 25.54 N ATOM 1960 CA ALA A 233 114.204 -23.533 -14.400 1.00 28.83 C ATOM 1961 C ALA A 233 113.001 -23.256 -15.299 1.00 31.01 C ATOM 1962 O ALA A 233 112.843 -22.123 -15.759 1.00 30.65 O ATOM 1963 CB ALA A 233 115.467 -22.881 -14.973 1.00 31.54 C ATOM 1964 H ALA A 233 114.798 -25.558 -14.897 1.00 0.00 H ATOM 1965 N ALA A 234 112.149 -24.239 -15.560 1.00 36.74 N ATOM 1966 CA ALA A 234 110.897 -23.935 -16.239 1.00 42.41 C ATOM 1967 C ALA A 234 110.147 -22.875 -15.434 1.00 47.87 C ATOM 1968 O ALA A 234 110.132 -22.937 -14.199 1.00 50.18 O ATOM 1969 CB ALA A 234 110.035 -25.189 -16.351 1.00 42.69 C ATOM 1970 H ALA A 234 112.373 -25.216 -15.283 1.00 0.00 H ATOM 1971 N PRO A 235 109.512 -21.895 -16.087 1.00 50.41 N ATOM 1972 CA PRO A 235 108.799 -20.867 -15.304 1.00 53.74 C ATOM 1973 C PRO A 235 107.736 -21.443 -14.386 1.00 58.35 C ATOM 1974 O PRO A 235 107.557 -20.947 -13.268 1.00 59.10 O ATOM 1975 CB PRO A 235 108.204 -19.942 -16.377 1.00 53.06 C ATOM 1976 CG PRO A 235 109.052 -20.178 -17.602 1.00 52.28 C ATOM 1977 CD PRO A 235 109.439 -21.638 -17.538 1.00 50.75 C ATOM 1978 N ASP A 236 107.034 -22.487 -14.828 1.00 61.84 N ATOM 1979 CA ASP A 236 105.989 -23.128 -14.040 1.00 64.83 C ATOM 1980 C ASP A 236 106.537 -24.060 -12.967 1.00 62.08 C ATOM 1981 O ASP A 236 105.768 -24.501 -12.108 1.00 63.46 O ATOM 1982 CB ASP A 236 105.062 -23.925 -14.971 1.00 70.27 C ATOM 1983 CG ASP A 236 104.234 -23.032 -15.885 1.00 74.87 C ATOM 1984 OD1 ASP A 236 103.867 -21.922 -15.456 1.00 76.68 O ATOM 1985 OD2 ASP A 236 103.947 -23.442 -17.031 1.00 76.41 O ATOM 1986 H ASP A 236 107.241 -22.860 -15.776 1.00 0.00 H ATOM 1987 N GLY A 237 107.835 -24.349 -12.980 1.00 57.58 N ATOM 1988 CA GLY A 237 108.399 -25.360 -12.117 1.00 50.52 C ATOM 1989 C GLY A 237 108.153 -26.751 -12.667 1.00 43.26 C ATOM 1990 O GLY A 237 107.749 -26.911 -13.822 1.00 45.71 O ATOM 1991 H GLY A 237 108.461 -23.832 -13.630 1.00 0.00 H ATOM 1992 N PRO A 238 108.388 -27.792 -11.852 1.00 34.46 N ATOM 1993 CA PRO A 238 108.877 -27.658 -10.471 1.00 28.71 C ATOM 1994 C PRO A 238 110.358 -27.328 -10.454 1.00 24.77 C ATOM 1995 O PRO A 238 111.141 -27.888 -11.241 1.00 26.06 O ATOM 1996 CB PRO A 238 108.645 -29.044 -9.872 1.00 31.27 C ATOM 1997 CG PRO A 238 108.693 -29.973 -11.065 1.00 33.41 C ATOM 1998 CD PRO A 238 108.096 -29.192 -12.206 1.00 34.41 C ATOM 1999 N ASP A 239 110.747 -26.419 -9.565 1.00 21.22 N ATOM 2000 CA ASP A 239 112.152 -26.115 -9.369 1.00 19.87 C ATOM 2001 C ASP A 239 112.758 -27.116 -8.384 1.00 19.04 C ATOM 2002 O ASP A 239 112.117 -28.077 -7.948 1.00 19.89 O ATOM 2003 CB ASP A 239 112.343 -24.657 -8.950 1.00 19.28 C ATOM 2004 CG ASP A 239 111.966 -24.385 -7.487 1.00 19.38 C ATOM 2005 OD1 ASP A 239 111.215 -25.172 -6.901 1.00 18.26 O ATOM 2006 OD2 ASP A 239 112.394 -23.319 -6.981 1.00 20.54 O ATOM 2007 H ASP A 239 110.032 -25.917 -9.001 1.00 0.00 H ATOM 2008 N ALA A 240 114.041 -26.935 -8.089 1.00 17.73 N ATOM 2009 CA ALA A 240 114.718 -27.825 -7.160 1.00 17.36 C ATOM 2010 C ALA A 240 114.183 -27.681 -5.739 1.00 16.63 C ATOM 2011 O ALA A 240 114.100 -28.673 -5.020 1.00 17.36 O ATOM 2012 CB ALA A 240 116.223 -27.578 -7.203 1.00 18.37 C ATOM 2013 H ALA A 240 114.565 -26.150 -8.526 1.00 0.00 H ATOM 2014 N VAL A 241 113.878 -26.457 -5.303 1.00 15.70 N ATOM 2015 CA VAL A 241 113.307 -26.253 -3.973 1.00 16.67 C ATOM 2016 C VAL A 241 112.090 -27.140 -3.795 1.00 16.84 C ATOM 2017 O VAL A 241 111.976 -27.880 -2.816 1.00 17.57 O ATOM 2018 CB VAL A 241 112.933 -24.778 -3.793 1.00 15.96 C ATOM 2019 CG1 VAL A 241 112.132 -24.602 -2.476 1.00 16.64 C ATOM 2020 CG2 VAL A 241 114.172 -23.976 -3.772 1.00 16.70 C ATOM 2021 H VAL A 241 114.049 -25.636 -5.919 1.00 0.00 H ATOM 2022 N GLU A 242 111.178 -27.098 -4.767 1.00 17.75 N ATOM 2023 CA GLU A 242 109.949 -27.875 -4.669 1.00 19.05 C ATOM 2024 C GLU A 242 110.240 -29.365 -4.607 1.00 19.74 C ATOM 2025 O GLU A 242 109.645 -30.102 -3.799 1.00 19.81 O ATOM 2026 CB GLU A 242 109.045 -27.538 -5.859 1.00 19.97 C ATOM 2027 CG GLU A 242 107.714 -28.282 -5.756 1.00 21.92 C ATOM 2028 CD GLU A 242 106.713 -27.891 -6.817 1.00 23.90 C ATOM 2029 OE1 GLU A 242 105.744 -28.653 -6.979 1.00 28.51 O ATOM 2030 OE2 GLU A 242 106.862 -26.851 -7.477 1.00 26.38 O ATOM 2031 H GLU A 242 111.346 -26.504 -5.604 1.00 0.00 H ATOM 2032 N ARG A 243 111.118 -29.843 -5.487 1.00 19.63 N ATOM 2033 CA ARG A 243 111.402 -31.271 -5.539 1.00 21.68 C ATOM 2034 C ARG A 243 112.128 -31.756 -4.288 1.00 19.93 C ATOM 2035 O ARG A 243 111.816 -32.830 -3.760 1.00 20.60 O ATOM 2036 CB ARG A 243 112.172 -31.592 -6.811 1.00 25.27 C ATOM 2037 CG ARG A 243 111.295 -31.268 -7.986 1.00 29.50 C ATOM 2038 CD ARG A 243 112.002 -31.528 -9.266 1.00 37.67 C ATOM 2039 NE ARG A 243 112.376 -32.924 -9.319 1.00 44.25 N ATOM 2040 CZ ARG A 243 113.049 -33.460 -10.318 1.00 47.42 C ATOM 2041 NH1 ARG A 243 113.409 -32.701 -11.337 1.00 47.85 N ATOM 2042 NH2 ARG A 243 113.360 -34.746 -10.297 1.00 49.72 N ATOM 2043 HE ARG A 243 112.099 -33.538 -8.527 1.00 0.00 H ATOM 2044 HH12 ARG A 243 113.940 -33.113 -12.130 1.00 0.00 H ATOM 2045 HH11 ARG A 243 113.161 -31.691 -11.346 1.00 0.00 H ATOM 2046 HH22 ARG A 243 113.891 -35.166 -11.087 1.00 0.00 H ATOM 2047 HH21 ARG A 243 113.073 -35.337 -9.491 1.00 0.00 H ATOM 2048 H ARG A 243 111.603 -29.194 -6.140 1.00 0.00 H ATOM 2049 N ILE A 244 113.066 -30.962 -3.773 1.00 18.21 N ATOM 2050 CA ILE A 244 113.748 -31.329 -2.536 1.00 17.42 C ATOM 2051 C ILE A 244 112.756 -31.391 -1.378 1.00 17.72 C ATOM 2052 O ILE A 244 112.741 -32.356 -0.603 1.00 18.36 O ATOM 2053 CB ILE A 244 114.889 -30.335 -2.254 1.00 15.80 C ATOM 2054 CG1 ILE A 244 115.991 -30.429 -3.309 1.00 15.79 C ATOM 2055 CG2 ILE A 244 115.425 -30.587 -0.851 1.00 16.18 C ATOM 2056 CD1 ILE A 244 116.939 -29.280 -3.228 1.00 16.70 C ATOM 2057 H ILE A 244 113.314 -30.075 -4.256 1.00 0.00 H ATOM 2058 N ALA A 245 111.932 -30.345 -1.232 1.00 18.01 N ATOM 2059 CA ALA A 245 111.053 -30.253 -0.071 1.00 18.87 C ATOM 2060 C ALA A 245 109.995 -31.336 -0.117 1.00 19.45 C ATOM 2061 O ALA A 245 109.666 -31.919 0.911 1.00 19.50 O ATOM 2062 CB ALA A 245 110.424 -28.868 0.036 1.00 19.35 C ATOM 2063 H ALA A 245 111.919 -29.594 -1.951 1.00 0.00 H ATOM 2064 N ARG A 246 109.462 -31.644 -1.301 1.00 20.01 N ATOM 2065 CA ARG A 246 108.509 -32.749 -1.407 1.00 21.56 C ATOM 2066 C ARG A 246 109.141 -34.065 -0.969 1.00 20.92 C ATOM 2067 O ARG A 246 108.550 -34.833 -0.195 1.00 22.26 O ATOM 2068 CB ARG A 246 108.028 -32.895 -2.848 1.00 24.50 C ATOM 2069 CG ARG A 246 106.776 -32.152 -3.190 1.00 28.21 C ATOM 2070 CD ARG A 246 106.280 -32.534 -4.593 1.00 29.74 C ATOM 2071 NE ARG A 246 105.680 -31.372 -5.242 1.00 30.93 N ATOM 2072 CZ ARG A 246 104.505 -30.859 -4.893 1.00 32.27 C ATOM 2073 NH1 ARG A 246 103.803 -31.422 -3.914 1.00 33.52 N ATOM 2074 NH2 ARG A 246 104.026 -29.794 -5.515 1.00 33.89 N ATOM 2075 HE ARG A 246 106.201 -30.921 -6.021 1.00 0.00 H ATOM 2076 HH12 ARG A 246 102.883 -31.023 -3.638 1.00 0.00 H ATOM 2077 HH11 ARG A 246 104.174 -32.261 -3.424 1.00 0.00 H ATOM 2078 HH22 ARG A 246 103.105 -29.399 -5.236 1.00 0.00 H ATOM 2079 HH21 ARG A 246 104.570 -29.352 -6.283 1.00 0.00 H ATOM 2080 H ARG A 246 109.724 -31.099 -2.147 1.00 0.00 H ATOM 2081 N ASP A 247 110.340 -34.361 -1.470 1.00 20.50 N ATOM 2082 CA ASP A 247 111.033 -35.578 -1.065 1.00 20.50 C ATOM 2083 C ASP A 247 111.262 -35.581 0.445 1.00 19.91 C ATOM 2084 O ASP A 247 110.909 -36.539 1.148 1.00 20.61 O ATOM 2085 CB ASP A 247 112.365 -35.704 -1.818 1.00 21.59 C ATOM 2086 CG ASP A 247 112.267 -36.559 -3.066 1.00 23.79 C ATOM 2087 OD1 ASP A 247 111.197 -37.113 -3.331 1.00 25.45 O ATOM 2088 OD2 ASP A 247 113.279 -36.697 -3.766 1.00 23.94 O ATOM 2089 H ASP A 247 110.785 -33.718 -2.156 1.00 0.00 H ATOM 2090 N TYR A 248 111.812 -34.482 0.967 1.00 19.00 N ATOM 2091 CA TYR A 248 112.056 -34.383 2.406 1.00 17.92 C ATOM 2092 C TYR A 248 110.809 -34.679 3.225 1.00 18.05 C ATOM 2093 O TYR A 248 110.862 -35.440 4.196 1.00 18.88 O ATOM 2094 CB TYR A 248 112.579 -32.998 2.737 1.00 17.19 C ATOM 2095 CG TYR A 248 112.924 -32.775 4.170 1.00 16.31 C ATOM 2096 CD1 TYR A 248 114.148 -33.178 4.669 1.00 16.85 C ATOM 2097 CD2 TYR A 248 112.009 -32.177 5.043 1.00 16.29 C ATOM 2098 CE1 TYR A 248 114.483 -32.932 6.008 1.00 16.69 C ATOM 2099 CE2 TYR A 248 112.334 -31.936 6.359 1.00 17.16 C ATOM 2100 CZ TYR A 248 113.560 -32.320 6.837 1.00 16.14 C ATOM 2101 OH TYR A 248 113.889 -32.071 8.150 1.00 17.47 O ATOM 2102 HH TYR A 248 114.802 -32.409 8.330 1.00 0.00 H ATOM 2103 H TYR A 248 112.069 -33.689 0.345 1.00 0.00 H ATOM 2104 N LEU A 249 109.692 -34.054 2.872 1.00 18.10 N ATOM 2105 CA LEU A 249 108.482 -34.210 3.662 1.00 19.03 C ATOM 2106 C LEU A 249 107.890 -35.596 3.528 1.00 20.74 C ATOM 2107 O LEU A 249 107.167 -36.032 4.420 1.00 23.01 O ATOM 2108 CB LEU A 249 107.458 -33.144 3.274 1.00 22.18 C ATOM 2109 CG LEU A 249 107.853 -31.714 3.651 1.00 23.93 C ATOM 2110 CD1 LEU A 249 106.866 -30.700 3.072 1.00 26.50 C ATOM 2111 CD2 LEU A 249 107.923 -31.559 5.151 1.00 23.47 C ATOM 2112 H LEU A 249 109.683 -33.450 2.026 1.00 0.00 H ATOM 2113 N ALA A 250 108.210 -36.318 2.469 1.00 20.30 N ATOM 2114 CA ALA A 250 107.760 -37.697 2.353 1.00 20.14 C ATOM 2115 C ALA A 250 108.627 -38.651 3.147 1.00 20.26 C ATOM 2116 O ALA A 250 108.263 -39.820 3.297 1.00 21.99 O ATOM 2117 CB ALA A 250 107.788 -38.133 0.888 1.00 23.54 C ATOM 2118 H ALA A 250 108.788 -35.898 1.713 1.00 0.00 H ATOM 2119 N ARG A 251 109.771 -38.187 3.639 1.00 20.93 N ATOM 2120 CA ARG A 251 110.782 -39.026 4.238 1.00 21.80 C ATOM 2121 C ARG A 251 111.138 -38.665 5.676 1.00 21.71 C ATOM 2122 O ARG A 251 112.037 -39.308 6.235 1.00 22.09 O ATOM 2123 CB ARG A 251 112.082 -38.906 3.438 1.00 26.33 C ATOM 2124 CG ARG A 251 112.021 -39.563 2.060 1.00 29.06 C ATOM 2125 CD ARG A 251 113.241 -39.188 1.227 1.00 34.44 C ATOM 2126 NE ARG A 251 113.264 -39.842 -0.085 1.00 39.03 N ATOM 2127 CZ ARG A 251 114.125 -40.794 -0.429 1.00 45.86 C ATOM 2128 NH1 ARG A 251 115.041 -41.210 0.427 1.00 47.87 N ATOM 2129 NH2 ARG A 251 114.073 -41.327 -1.637 1.00 50.38 N ATOM 2130 HE ARG A 251 112.562 -39.542 -0.791 1.00 0.00 H ATOM 2131 HH12 ARG A 251 115.711 -41.955 0.150 1.00 0.00 H ATOM 2132 HH11 ARG A 251 115.092 -40.792 1.378 1.00 0.00 H ATOM 2133 HH22 ARG A 251 114.747 -42.072 -1.906 1.00 0.00 H ATOM 2134 HH21 ARG A 251 113.358 -41.001 -2.319 1.00 0.00 H ATOM 2135 H ARG A 251 109.948 -37.163 3.590 1.00 0.00 H ATOM 2136 N THR A 252 110.468 -37.690 6.296 1.00 19.46 N ATOM 2137 CA THR A 252 110.890 -37.142 7.577 1.00 18.51 C ATOM 2138 C THR A 252 109.696 -36.922 8.483 1.00 19.15 C ATOM 2139 O THR A 252 108.631 -36.492 8.037 1.00 21.64 O ATOM 2140 CB THR A 252 111.569 -35.783 7.329 1.00 18.54 C ATOM 2141 OG1 THR A 252 112.548 -35.923 6.305 1.00 19.52 O ATOM 2142 CG2 THR A 252 112.228 -35.269 8.601 1.00 19.35 C ATOM 2143 HG1 THR A 252 113.227 -36.586 6.588 1.00 0.00 H ATOM 2144 H THR A 252 109.612 -37.308 5.846 1.00 0.00 H ATOM 2145 N ARG A 253 109.900 -37.200 9.761 1.00 19.04 N ATOM 2146 CA ARG A 253 108.914 -36.846 10.768 1.00 19.87 C ATOM 2147 C ARG A 253 108.965 -35.349 11.002 1.00 19.23 C ATOM 2148 O ARG A 253 110.025 -34.815 11.341 1.00 20.63 O ATOM 2149 CB ARG A 253 109.187 -37.590 12.069 1.00 21.14 C ATOM 2150 CG ARG A 253 108.817 -39.073 11.933 1.00 22.27 C ATOM 2151 CD ARG A 253 108.959 -39.807 13.226 1.00 26.10 C ATOM 2152 NE ARG A 253 107.904 -39.418 14.160 1.00 26.68 N ATOM 2153 CZ ARG A 253 107.724 -39.979 15.347 1.00 27.42 C ATOM 2154 NH1 ARG A 253 108.531 -40.946 15.743 1.00 26.91 N ATOM 2155 NH2 ARG A 253 106.744 -39.571 16.126 1.00 29.12 N ATOM 2156 HE ARG A 253 107.256 -38.656 13.876 1.00 0.00 H ATOM 2157 HH12 ARG A 253 108.394 -41.389 16.674 1.00 0.00 H ATOM 2158 HH11 ARG A 253 109.304 -41.264 15.124 1.00 0.00 H ATOM 2159 HH22 ARG A 253 106.603 -40.011 17.058 1.00 0.00 H ATOM 2160 HH21 ARG A 253 106.111 -38.809 15.810 1.00 0.00 H ATOM 2161 H ARG A 253 110.778 -37.678 10.048 1.00 0.00 H ATOM 2162 N VAL A 254 107.832 -34.692 10.780 1.00 19.79 N ATOM 2163 CA VAL A 254 107.662 -33.248 10.914 1.00 20.24 C ATOM 2164 C VAL A 254 106.317 -32.993 11.580 1.00 20.01 C ATOM 2165 O VAL A 254 105.291 -33.523 11.140 1.00 20.25 O ATOM 2166 CB VAL A 254 107.678 -32.644 9.497 1.00 22.04 C ATOM 2167 CG1 VAL A 254 107.363 -31.163 9.522 1.00 23.46 C ATOM 2168 CG2 VAL A 254 109.031 -32.915 8.785 1.00 21.08 C ATOM 2169 H VAL A 254 107.003 -35.248 10.489 1.00 0.00 H ATOM 2170 N ALA A 255 106.296 -32.155 12.617 1.00 20.30 N ATOM 2171 CA ALA A 255 105.027 -31.875 13.260 1.00 21.32 C ATOM 2172 C ALA A 255 104.084 -31.215 12.271 1.00 20.46 C ATOM 2173 O ALA A 255 104.465 -30.285 11.555 1.00 19.99 O ATOM 2174 CB ALA A 255 105.266 -30.953 14.451 1.00 23.18 C ATOM 2175 H ALA A 255 107.173 -31.711 12.958 1.00 0.00 H ATOM 2176 N GLN A 256 102.846 -31.694 12.244 1.00 21.53 N ATOM 2177 CA GLN A 256 101.821 -31.215 11.341 1.00 22.58 C ATOM 2178 C GLN A 256 100.587 -30.916 12.161 1.00 23.05 C ATOM 2179 O GLN A 256 100.279 -31.629 13.118 1.00 27.05 O ATOM 2180 CB GLN A 256 101.491 -32.297 10.303 1.00 25.90 C ATOM 2181 CG GLN A 256 102.656 -32.610 9.370 1.00 29.00 C ATOM 2182 CD GLN A 256 102.600 -34.017 8.804 1.00 31.57 C ATOM 2183 OE1 GLN A 256 101.667 -34.384 8.098 1.00 32.04 O ATOM 2184 NE2 GLN A 256 103.605 -34.811 9.123 1.00 30.01 N ATOM 2185 HE22 GLN A 256 104.376 -34.458 9.725 1.00 0.00 H ATOM 2186 HE21 GLN A 256 103.626 -35.790 8.772 1.00 0.00 H ATOM 2187 H GLN A 256 102.599 -32.455 12.908 1.00 0.00 H ATOM 2188 N GLY A 257 99.865 -29.896 11.753 1.00 20.52 N ATOM 2189 CA GLY A 257 98.667 -29.517 12.443 1.00 21.12 C ATOM 2190 C GLY A 257 98.108 -28.219 11.926 1.00 21.12 C ATOM 2191 O GLY A 257 98.729 -27.550 11.101 1.00 21.14 O ATOM 2192 H GLY A 257 100.167 -29.356 10.917 1.00 0.00 H ATOM 2193 N PRO A 258 96.930 -27.832 12.409 1.00 20.55 N ATOM 2194 CA PRO A 258 96.275 -26.638 11.873 1.00 21.05 C ATOM 2195 C PRO A 258 96.831 -25.375 12.512 1.00 19.41 C ATOM 2196 O PRO A 258 97.153 -25.335 13.708 1.00 21.12 O ATOM 2197 CB PRO A 258 94.801 -26.833 12.275 1.00 22.54 C ATOM 2198 CG PRO A 258 94.892 -27.620 13.561 1.00 22.52 C ATOM 2199 CD PRO A 258 96.059 -28.571 13.344 1.00 21.26 C ATOM 2200 N VAL A 259 96.912 -24.328 11.702 1.00 19.88 N ATOM 2201 CA VAL A 259 97.007 -22.957 12.176 1.00 19.69 C ATOM 2202 C VAL A 259 95.902 -22.202 11.463 1.00 21.49 C ATOM 2203 O VAL A 259 95.886 -22.138 10.227 1.00 22.01 O ATOM 2204 CB VAL A 259 98.383 -22.337 11.894 1.00 20.27 C ATOM 2205 CG1 VAL A 259 98.431 -20.888 12.318 1.00 21.59 C ATOM 2206 CG2 VAL A 259 99.445 -23.143 12.632 1.00 20.14 C ATOM 2207 H VAL A 259 96.907 -24.496 10.676 1.00 0.00 H ATOM 2208 N GLY A 260 94.941 -21.690 12.223 1.00 21.44 N ATOM 2209 CA GLY A 260 93.709 -21.288 11.580 1.00 22.83 C ATOM 2210 C GLY A 260 93.129 -22.511 10.905 1.00 24.95 C ATOM 2211 O GLY A 260 93.127 -23.620 11.461 1.00 24.51 O ATOM 2212 H GLY A 260 95.070 -21.581 13.249 1.00 0.00 H ATOM 2213 N GLY A 261 92.640 -22.319 9.684 1.00 24.99 N ATOM 2214 CA GLY A 261 92.163 -23.407 8.858 1.00 26.47 C ATOM 2215 C GLY A 261 93.214 -24.078 7.997 1.00 25.46 C ATOM 2216 O GLY A 261 92.878 -24.944 7.180 1.00 26.64 O ATOM 2217 H GLY A 261 92.599 -21.350 9.308 1.00 0.00 H ATOM 2218 N ALA A 262 94.483 -23.717 8.155 1.00 23.21 N ATOM 2219 CA ALA A 262 95.533 -24.130 7.230 1.00 23.21 C ATOM 2220 C ALA A 262 96.315 -25.321 7.760 1.00 23.62 C ATOM 2221 O ALA A 262 96.749 -25.335 8.915 1.00 21.62 O ATOM 2222 CB ALA A 262 96.518 -22.979 7.022 1.00 22.69 C ATOM 2223 H ALA A 262 94.737 -23.119 8.967 1.00 0.00 H ATOM 2224 N GLN A 263 96.519 -26.316 6.903 1.00 26.43 N ATOM 2225 CA GLN A 263 97.455 -27.380 7.224 1.00 28.40 C ATOM 2226 C GLN A 263 98.860 -26.798 7.314 1.00 23.24 C ATOM 2227 O GLN A 263 99.361 -26.192 6.355 1.00 23.32 O ATOM 2228 CB GLN A 263 97.449 -28.438 6.123 1.00 39.52 C ATOM 2229 CG GLN A 263 96.201 -29.268 6.029 1.00 51.10 C ATOM 2230 CD GLN A 263 95.889 -29.652 4.603 1.00 63.28 C ATOM 2231 OE1 GLN A 263 95.047 -29.033 3.960 1.00 68.56 O ATOM 2232 NE2 GLN A 263 96.571 -30.670 4.094 1.00 68.40 N ATOM 2233 HE22 GLN A 263 97.276 -31.166 4.676 1.00 0.00 H ATOM 2234 HE21 GLN A 263 96.401 -30.972 3.113 1.00 0.00 H ATOM 2235 H GLN A 263 96.006 -26.333 5.998 1.00 0.00 H ATOM 2236 N SER A 264 99.519 -27.037 8.446 1.00 19.73 N ATOM 2237 CA SER A 264 100.796 -26.407 8.721 1.00 17.48 C ATOM 2238 C SER A 264 101.819 -27.438 9.167 1.00 18.79 C ATOM 2239 O SER A 264 101.483 -28.543 9.611 1.00 20.62 O ATOM 2240 CB SER A 264 100.621 -25.324 9.783 1.00 19.12 C ATOM 2241 OG SER A 264 99.649 -24.399 9.362 1.00 19.10 O ATOM 2242 HG SER A 264 98.787 -24.867 9.225 1.00 0.00 H ATOM 2243 H SER A 264 99.110 -27.688 9.146 1.00 0.00 H ATOM 2244 N ARG A 265 103.086 -27.061 9.029 1.00 18.29 N ATOM 2245 CA ARG A 265 104.210 -27.909 9.378 1.00 18.92 C ATOM 2246 C ARG A 265 105.312 -27.030 9.941 1.00 16.64 C ATOM 2247 O ARG A 265 105.446 -25.868 9.561 1.00 16.30 O ATOM 2248 CB ARG A 265 104.793 -28.627 8.143 1.00 24.67 C ATOM 2249 CG ARG A 265 103.843 -29.579 7.477 1.00 28.08 C ATOM 2250 CD ARG A 265 103.897 -29.398 5.964 1.00 30.78 C ATOM 2251 NE ARG A 265 103.487 -28.054 5.588 1.00 32.36 N ATOM 2252 CZ ARG A 265 102.287 -27.739 5.115 1.00 30.42 C ATOM 2253 NH1 ARG A 265 101.362 -28.680 4.945 1.00 31.28 N ATOM 2254 NH2 ARG A 265 102.013 -26.488 4.804 1.00 25.71 N ATOM 2255 HE ARG A 265 104.181 -27.287 5.697 1.00 0.00 H ATOM 2256 HH12 ARG A 265 100.424 -28.426 4.574 1.00 0.00 H ATOM 2257 HH11 ARG A 265 101.577 -29.669 5.183 1.00 0.00 H ATOM 2258 HH22 ARG A 265 101.074 -26.238 4.433 1.00 0.00 H ATOM 2259 HH21 ARG A 265 102.736 -25.751 4.929 1.00 0.00 H ATOM 2260 H ARG A 265 103.281 -26.111 8.652 1.00 0.00 H ATOM 2261 N LEU A 266 106.116 -27.610 10.831 1.00 15.84 N ATOM 2262 CA LEU A 266 107.235 -26.916 11.467 1.00 15.21 C ATOM 2263 C LEU A 266 108.496 -27.723 11.205 1.00 15.87 C ATOM 2264 O LEU A 266 108.640 -28.843 11.697 1.00 17.90 O ATOM 2265 CB LEU A 266 106.976 -26.748 12.964 1.00 16.73 C ATOM 2266 CG LEU A 266 107.928 -25.801 13.668 1.00 16.63 C ATOM 2267 CD1 LEU A 266 107.934 -24.387 13.170 1.00 17.37 C ATOM 2268 CD2 LEU A 266 107.588 -25.746 15.169 1.00 17.93 C ATOM 2269 H LEU A 266 105.940 -28.603 11.085 1.00 0.00 H ATOM 2270 N ILE A 267 109.396 -27.166 10.406 1.00 15.38 N ATOM 2271 CA ILE A 267 110.518 -27.883 9.820 1.00 14.85 C ATOM 2272 C ILE A 267 111.811 -27.359 10.419 1.00 15.01 C ATOM 2273 O ILE A 267 111.994 -26.148 10.546 1.00 16.32 O ATOM 2274 CB ILE A 267 110.502 -27.616 8.302 1.00 16.17 C ATOM 2275 CG1 ILE A 267 109.241 -28.221 7.677 1.00 16.84 C ATOM 2276 CG2 ILE A 267 111.758 -28.171 7.662 1.00 16.16 C ATOM 2277 CD1 ILE A 267 108.949 -27.681 6.301 1.00 19.59 C ATOM 2278 H ILE A 267 109.293 -26.155 10.185 1.00 0.00 H ATOM 2279 N ASP A 268 112.712 -28.272 10.777 1.00 14.62 N ATOM 2280 CA ASP A 268 114.051 -27.877 11.185 1.00 15.32 C ATOM 2281 C ASP A 268 114.825 -27.422 9.950 1.00 15.22 C ATOM 2282 O ASP A 268 115.075 -28.210 9.031 1.00 15.58 O ATOM 2283 CB ASP A 268 114.777 -29.029 11.863 1.00 15.96 C ATOM 2284 CG ASP A 268 116.135 -28.611 12.375 1.00 17.54 C ATOM 2285 OD1 ASP A 268 117.134 -28.713 11.669 1.00 16.20 O ATOM 2286 OD2 ASP A 268 116.230 -28.164 13.536 1.00 22.07 O ATOM 2287 H ASP A 268 112.455 -29.280 10.765 1.00 0.00 H ATOM 2288 N ALA A 269 115.198 -26.144 9.930 1.00 14.23 N ATOM 2289 CA ALA A 269 115.786 -25.545 8.735 1.00 14.40 C ATOM 2290 C ALA A 269 117.149 -26.140 8.396 1.00 15.71 C ATOM 2291 O ALA A 269 117.425 -26.444 7.232 1.00 14.98 O ATOM 2292 CB ALA A 269 115.905 -24.028 8.916 1.00 15.51 C ATOM 2293 H ALA A 269 115.068 -25.561 10.782 1.00 0.00 H ATOM 2294 N ALA A 270 118.017 -26.306 9.391 1.00 15.62 N ATOM 2295 CA ALA A 270 119.327 -26.879 9.111 1.00 15.39 C ATOM 2296 C ALA A 270 119.180 -28.269 8.526 1.00 15.96 C ATOM 2297 O ALA A 270 119.958 -28.656 7.648 1.00 16.49 O ATOM 2298 CB ALA A 270 120.154 -26.895 10.406 1.00 16.74 C ATOM 2299 H ALA A 270 117.762 -26.029 10.361 1.00 0.00 H ATOM 2300 N ASP A 271 118.229 -29.053 9.035 1.00 16.37 N ATOM 2301 CA ASP A 271 118.087 -30.422 8.552 1.00 16.49 C ATOM 2302 C ASP A 271 117.615 -30.452 7.111 1.00 15.94 C ATOM 2303 O ASP A 271 118.141 -31.214 6.299 1.00 16.68 O ATOM 2304 CB ASP A 271 117.098 -31.158 9.430 1.00 16.17 C ATOM 2305 CG ASP A 271 117.135 -32.640 9.206 1.00 18.60 C ATOM 2306 OD1 ASP A 271 116.100 -33.205 8.852 1.00 19.62 O ATOM 2307 OD2 ASP A 271 118.217 -33.219 9.358 1.00 21.96 O ATOM 2308 H ASP A 271 117.592 -28.690 9.773 1.00 0.00 H ATOM 2309 N ILE A 272 116.606 -29.644 6.776 1.00 14.80 N ATOM 2310 CA ILE A 272 116.112 -29.666 5.408 1.00 14.83 C ATOM 2311 C ILE A 272 117.174 -29.144 4.445 1.00 14.41 C ATOM 2312 O ILE A 272 117.294 -29.640 3.319 1.00 15.19 O ATOM 2313 CB ILE A 272 114.758 -28.946 5.228 1.00 14.96 C ATOM 2314 CG1 ILE A 272 114.134 -29.349 3.867 1.00 15.59 C ATOM 2315 CG2 ILE A 272 114.932 -27.438 5.320 1.00 15.51 C ATOM 2316 CD1 ILE A 272 112.705 -28.881 3.676 1.00 16.45 C ATOM 2317 H ILE A 272 116.180 -29.009 7.482 1.00 0.00 H ATOM 2318 N VAL A 273 117.933 -28.114 4.824 1.00 14.68 N ATOM 2319 CA VAL A 273 118.981 -27.612 3.940 1.00 14.71 C ATOM 2320 C VAL A 273 120.102 -28.622 3.752 1.00 15.08 C ATOM 2321 O VAL A 273 120.583 -28.811 2.628 1.00 15.14 O ATOM 2322 CB VAL A 273 119.480 -26.243 4.432 1.00 15.37 C ATOM 2323 CG1 VAL A 273 120.747 -25.834 3.728 1.00 17.53 C ATOM 2324 CG2 VAL A 273 118.361 -25.212 4.260 1.00 15.91 C ATOM 2325 H VAL A 273 117.778 -27.668 5.751 1.00 0.00 H ATOM 2326 N SER A 274 120.538 -29.283 4.824 1.00 15.87 N ATOM 2327 CA SER A 274 121.523 -30.350 4.669 1.00 16.54 C ATOM 2328 C SER A 274 121.008 -31.444 3.741 1.00 17.28 C ATOM 2329 O SER A 274 121.729 -31.908 2.845 1.00 18.21 O ATOM 2330 CB SER A 274 121.883 -30.932 6.027 1.00 18.91 C ATOM 2331 OG SER A 274 122.582 -29.990 6.815 1.00 21.19 O ATOM 2332 HG SER A 274 123.416 -29.728 6.351 1.00 0.00 H ATOM 2333 H SER A 274 120.178 -29.040 5.769 1.00 0.00 H ATOM 2334 N PHE A 275 119.767 -31.884 3.959 1.00 16.59 N ATOM 2335 CA PHE A 275 119.146 -32.839 3.047 1.00 15.83 C ATOM 2336 C PHE A 275 119.191 -32.337 1.611 1.00 16.28 C ATOM 2337 O PHE A 275 119.449 -33.109 0.683 1.00 15.99 O ATOM 2338 CB PHE A 275 117.704 -33.048 3.488 1.00 15.77 C ATOM 2339 CG PHE A 275 116.924 -33.986 2.607 1.00 17.13 C ATOM 2340 CD1 PHE A 275 116.198 -33.501 1.551 1.00 17.99 C ATOM 2341 CD2 PHE A 275 116.872 -35.339 2.887 1.00 19.52 C ATOM 2342 CE1 PHE A 275 115.480 -34.323 0.735 1.00 19.04 C ATOM 2343 CE2 PHE A 275 116.146 -36.200 2.077 1.00 20.55 C ATOM 2344 CZ PHE A 275 115.425 -35.695 1.026 1.00 20.11 C ATOM 2345 H PHE A 275 119.238 -31.543 4.787 1.00 0.00 H ATOM 2346 N GLY A 276 118.926 -31.057 1.389 1.00 15.78 N ATOM 2347 CA GLY A 276 118.893 -30.546 0.034 1.00 16.35 C ATOM 2348 C GLY A 276 120.253 -30.510 -0.636 1.00 15.60 C ATOM 2349 O GLY A 276 120.356 -30.770 -1.838 1.00 15.90 O ATOM 2350 H GLY A 276 118.742 -30.419 2.189 1.00 0.00 H ATOM 2351 N ILE A 277 121.304 -30.170 0.118 1.00 14.69 N ATOM 2352 CA ILE A 277 122.666 -30.229 -0.400 1.00 15.06 C ATOM 2353 C ILE A 277 122.983 -31.649 -0.841 1.00 16.40 C ATOM 2354 O ILE A 277 123.464 -31.879 -1.960 1.00 16.57 O ATOM 2355 CB ILE A 277 123.661 -29.705 0.656 1.00 15.04 C ATOM 2356 CG1 ILE A 277 123.381 -28.222 0.967 1.00 16.05 C ATOM 2357 CG2 ILE A 277 125.080 -29.916 0.176 1.00 16.70 C ATOM 2358 CD1 ILE A 277 124.117 -27.708 2.166 1.00 17.63 C ATOM 2359 H ILE A 277 121.146 -29.856 1.097 1.00 0.00 H ATOM 2360 N GLU A 278 122.703 -32.614 0.031 1.00 16.87 N ATOM 2361 CA GLU A 278 122.941 -34.014 -0.311 1.00 20.10 C ATOM 2362 C GLU A 278 122.123 -34.440 -1.528 1.00 19.47 C ATOM 2363 O GLU A 278 122.606 -35.206 -2.383 1.00 19.19 O ATOM 2364 CB GLU A 278 122.615 -34.864 0.914 1.00 24.60 C ATOM 2365 CG GLU A 278 123.584 -34.676 2.035 1.00 33.25 C ATOM 2366 CD GLU A 278 123.186 -35.391 3.312 1.00 43.74 C ATOM 2367 OE1 GLU A 278 123.754 -35.051 4.370 1.00 47.60 O ATOM 2368 OE2 GLU A 278 122.318 -36.285 3.274 1.00 46.27 O ATOM 2369 H GLU A 278 122.312 -32.370 0.963 1.00 0.00 H ATOM 2370 N TRP A 279 120.876 -33.988 -1.604 1.00 17.63 N ATOM 2371 CA TRP A 279 119.972 -34.375 -2.677 1.00 17.88 C ATOM 2372 C TRP A 279 120.521 -33.916 -4.012 1.00 18.62 C ATOM 2373 O TRP A 279 120.569 -34.690 -4.973 1.00 18.68 O ATOM 2374 CB TRP A 279 118.630 -33.721 -2.380 1.00 18.34 C ATOM 2375 CG TRP A 279 117.457 -34.126 -3.209 1.00 18.25 C ATOM 2376 CD1 TRP A 279 116.504 -35.050 -2.866 1.00 18.90 C ATOM 2377 CD2 TRP A 279 117.091 -33.621 -4.487 1.00 18.13 C ATOM 2378 NE1 TRP A 279 115.548 -35.120 -3.846 1.00 19.50 N ATOM 2379 CE2 TRP A 279 115.886 -34.260 -4.856 1.00 19.36 C ATOM 2380 CE3 TRP A 279 117.643 -32.667 -5.343 1.00 18.49 C ATOM 2381 CZ2 TRP A 279 115.237 -33.984 -6.064 1.00 20.82 C ATOM 2382 CZ3 TRP A 279 117.001 -32.393 -6.547 1.00 19.64 C ATOM 2383 CH2 TRP A 279 115.803 -33.054 -6.889 1.00 20.75 C ATOM 2384 HE1 TRP A 279 114.704 -35.727 -3.826 1.00 0.00 H ATOM 2385 H TRP A 279 120.534 -33.335 -0.871 1.00 0.00 H ATOM 2386 N LEU A 280 120.970 -32.659 -4.089 1.00 17.03 N ATOM 2387 CA LEU A 280 121.503 -32.129 -5.330 1.00 16.66 C ATOM 2388 C LEU A 280 122.814 -32.805 -5.675 1.00 17.75 C ATOM 2389 O LEU A 280 123.029 -33.171 -6.833 1.00 18.24 O ATOM 2390 CB LEU A 280 121.705 -30.625 -5.228 1.00 16.41 C ATOM 2391 CG LEU A 280 120.418 -29.812 -5.148 1.00 17.07 C ATOM 2392 CD1 LEU A 280 120.718 -28.369 -4.675 1.00 18.12 C ATOM 2393 CD2 LEU A 280 119.779 -29.752 -6.553 1.00 19.06 C ATOM 2394 H LEU A 280 120.937 -32.051 -3.246 1.00 0.00 H ATOM 2395 N GLU A 281 123.695 -33.000 -4.700 1.00 17.57 N ATOM 2396 CA GLU A 281 125.011 -33.577 -4.994 1.00 17.72 C ATOM 2397 C GLU A 281 124.942 -35.064 -5.326 1.00 21.25 C ATOM 2398 O GLU A 281 125.828 -35.577 -6.033 1.00 23.00 O ATOM 2399 CB GLU A 281 125.933 -33.324 -3.805 1.00 17.43 C ATOM 2400 CG GLU A 281 126.309 -31.823 -3.720 1.00 17.45 C ATOM 2401 CD GLU A 281 127.140 -31.407 -2.544 1.00 18.53 C ATOM 2402 OE1 GLU A 281 127.509 -32.225 -1.694 1.00 18.65 O ATOM 2403 OE2 GLU A 281 127.453 -30.194 -2.464 1.00 18.59 O ATOM 2404 H GLU A 281 123.450 -32.742 -3.723 1.00 0.00 H ATOM 2405 N ALA A 282 123.869 -35.743 -4.908 1.00 20.01 N ATOM 2406 CA ALA A 282 123.660 -37.135 -5.290 1.00 21.25 C ATOM 2407 C ALA A 282 123.134 -37.251 -6.710 1.00 22.89 C ATOM 2408 O ALA A 282 123.310 -38.299 -7.335 1.00 25.70 O ATOM 2409 CB ALA A 282 122.693 -37.818 -4.321 1.00 22.13 C ATOM 2410 H ALA A 282 123.171 -35.270 -4.299 1.00 0.00 H ATOM 2411 N ARG A 283 122.514 -36.207 -7.246 1.00 22.92 N ATOM 2412 CA ARG A 283 121.876 -36.272 -8.555 1.00 24.67 C ATOM 2413 C ARG A 283 122.684 -35.644 -9.676 1.00 25.72 C ATOM 2414 O ARG A 283 122.402 -35.928 -10.852 1.00 27.35 O ATOM 2415 CB ARG A 283 120.506 -35.581 -8.510 1.00 27.17 C ATOM 2416 CG ARG A 283 119.483 -36.436 -7.851 1.00 28.77 C ATOM 2417 CD ARG A 283 118.224 -35.712 -7.447 1.00 31.20 C ATOM 2418 NE ARG A 283 117.276 -36.654 -6.870 1.00 34.05 N ATOM 2419 CZ ARG A 283 117.439 -37.260 -5.697 1.00 37.16 C ATOM 2420 NH1 ARG A 283 116.518 -38.110 -5.260 1.00 38.85 N ATOM 2421 NH2 ARG A 283 118.521 -37.032 -4.953 1.00 36.10 N ATOM 2422 HE ARG A 283 116.414 -36.867 -7.411 1.00 0.00 H ATOM 2423 HH12 ARG A 283 116.642 -38.585 -4.343 1.00 0.00 H ATOM 2424 HH11 ARG A 283 115.672 -38.301 -5.834 1.00 0.00 H ATOM 2425 HH22 ARG A 283 118.634 -37.514 -4.038 1.00 0.00 H ATOM 2426 HH21 ARG A 283 119.252 -36.373 -5.287 1.00 0.00 H ATOM 2427 H ARG A 283 122.482 -35.313 -6.715 1.00 0.00 H ATOM 2428 N HIS A 284 123.696 -34.838 -9.356 1.00 25.70 N ATOM 2429 CA HIS A 284 124.396 -34.052 -10.359 1.00 27.37 C ATOM 2430 C HIS A 284 125.897 -34.153 -10.140 1.00 32.90 C ATOM 2431 O HIS A 284 126.383 -33.971 -9.022 1.00 32.12 O ATOM 2432 CB HIS A 284 123.881 -32.606 -10.313 1.00 25.89 C ATOM 2433 CG HIS A 284 122.397 -32.516 -10.480 1.00 22.74 C ATOM 2434 ND1 HIS A 284 121.768 -32.804 -11.675 1.00 24.07 N ATOM 2435 CD2 HIS A 284 121.413 -32.243 -9.596 1.00 22.71 C ATOM 2436 CE1 HIS A 284 120.462 -32.691 -11.519 1.00 24.33 C ATOM 2437 NE2 HIS A 284 120.220 -32.336 -10.269 1.00 23.39 N ATOM 2438 H HIS A 284 123.993 -34.769 -8.362 1.00 0.00 H ATOM 2439 N ALA A 285 126.625 -34.483 -11.204 1.00 38.86 N ATOM 2440 CA ALA A 285 128.063 -34.659 -11.083 1.00 42.03 C ATOM 2441 C ALA A 285 128.717 -33.374 -10.591 1.00 41.97 C ATOM 2442 O ALA A 285 128.218 -32.268 -10.816 1.00 43.80 O ATOM 2443 CB ALA A 285 128.664 -35.059 -12.430 1.00 42.76 C ATOM 2444 H ALA A 285 126.163 -34.616 -12.126 1.00 0.00 H ATOM 2445 N ALA A 286 129.841 -33.530 -9.905 1.00 41.64 N ATOM 2446 CA ALA A 286 130.648 -32.392 -9.481 1.00 41.13 C ATOM 2447 C ALA A 286 131.425 -31.808 -10.652 1.00 41.93 C ATOM 2448 O ALA A 286 131.309 -32.260 -11.794 1.00 43.84 O ATOM 2449 CB ALA A 286 131.612 -32.802 -8.374 1.00 40.51 C ATOM 2450 H ALA A 286 130.156 -34.491 -9.663 1.00 0.00 H TER 2451 ALA A 286 HETATM 2452 MG MG A 1 118.371 -14.733 21.751 1.00 32.43 MG HETATM 2453 O HOH 2 110.748 -7.586 -11.912 1.00 21.22 O HETATM 2454 O HOH 3 112.406 -11.787 -16.153 1.00 43.57 O HETATM 2455 O HOH 4 102.646 -15.802 2.596 1.00 73.77 O HETATM 2456 O HOH 5 103.094 -31.810 -1.781 1.00 52.56 O HETATM 2457 O HOH 6 119.190 -3.273 11.916 1.00 41.84 O HETATM 2458 O HOH 7 120.357 -37.367 2.376 1.00 47.07 O HETATM 2459 O HOH 8 114.902 -24.262 -7.238 1.00 38.69 O HETATM 2460 O HOH 9 97.219 -15.535 23.533 1.00 49.93 O HETATM 2461 O HOH 10 116.079 -24.781 -8.740 1.00 57.88 O HETATM 2462 O HOH 11 112.687 -14.263 -14.272 1.00 50.25 O HETATM 2463 O HOH 12 105.631 -2.415 -9.000 1.00 51.55 O HETATM 2464 O HOH 13 100.050 -32.703 7.207 1.00 33.71 O HETATM 2465 O HOH 14 104.413 -20.702 -3.096 1.00 42.13 O HETATM 2466 O HOH 15 128.355 -11.851 -7.694 1.00 37.99 O HETATM 2467 O HOH 16 90.024 -18.148 3.126 1.00 55.89 O HETATM 2468 O HOH 17 110.769 -15.783 24.941 1.00 27.04 O HETATM 2469 O HOH 18 116.069 -38.680 -2.534 1.00 50.87 O HETATM 2470 O HOH 19 114.324 -3.735 -19.357 1.00 45.97 O HETATM 2471 O HOH 20 108.353 -25.016 -8.448 1.00 24.99 O HETATM 2472 O HOH 21 113.386 -37.444 -6.209 1.00 48.98 O HETATM 2473 O HOH 22 122.566 2.620 -17.151 1.00 36.15 O HETATM 2474 O HOH 23 102.269 -4.869 11.745 1.00 26.84 O HETATM 2475 O HOH 24 115.965 -15.566 -12.590 1.00 24.41 O HETATM 2476 O HOH 25 112.578 -1.805 9.294 1.00 36.17 O HETATM 2477 O HOH 26 106.033 -6.910 20.366 1.00 41.51 O HETATM 2478 O HOH 27 128.849 -10.406 2.138 1.00 39.62 O HETATM 2479 O HOH 28 131.792 -7.892 1.351 1.00 33.53 O HETATM 2480 O HOH 29 116.048 -18.115 22.150 1.00 38.48 O HETATM 2481 O HOH 30 121.403 -24.032 13.623 1.00 39.37 O HETATM 2482 O HOH 31 128.091 -5.392 -15.741 1.00 48.29 O HETATM 2483 O HOH 32 121.798 -1.897 -20.266 1.00 40.87 O HETATM 2484 O HOH 33 130.415 -7.617 4.716 1.00 44.38 O HETATM 2485 O HOH 34 128.072 -20.748 -2.802 1.00 39.91 O HETATM 2486 O HOH 35 93.691 -15.430 6.716 1.00 32.24 O HETATM 2487 O HOH 36 106.674 -34.946 6.736 1.00 34.04 O HETATM 2488 O HOH 37 115.071 -33.214 -13.500 1.00 45.88 O HETATM 2489 O HOH 38 111.431 -23.096 -11.944 1.00 25.71 O HETATM 2490 O HOH 39 128.092 -34.694 -7.188 1.00 45.39 O HETATM 2491 O HOH 40 112.558 -20.824 -7.735 1.00 20.01 O HETATM 2492 O HOH 41 126.880 -20.420 6.016 1.00 28.69 O HETATM 2493 O HOH 42 119.161 1.101 -0.011 1.00 29.41 O HETATM 2494 O HOH 43 113.196 -19.811 -14.566 1.00 47.45 O HETATM 2495 O HOH 44 121.564 -5.472 -14.954 1.00 25.51 O HETATM 2496 O HOH 45 109.804 -5.378 17.397 1.00 48.87 O HETATM 2497 O HOH 46 125.439 -10.353 11.434 1.00 18.30 O HETATM 2498 O HOH 47 98.589 -11.763 24.804 1.00 54.67 O HETATM 2499 O HOH 48 115.725 -7.459 -18.747 1.00 31.79 O HETATM 2500 O HOH 49 114.010 -27.541 14.831 1.00 23.07 O HETATM 2501 O HOH 50 95.241 -6.832 9.820 1.00 29.49 O HETATM 2502 O HOH 51 116.756 -21.636 -8.049 1.00 49.93 O HETATM 2503 O HOH 52 124.465 -28.430 5.767 1.00 57.60 O HETATM 2504 O HOH 53 122.486 -10.948 -5.312 1.00 16.05 O HETATM 2505 O HOH 54 104.719 -33.585 6.164 1.00 52.36 O HETATM 2506 O HOH 55 98.242 -26.869 15.597 1.00 22.20 O HETATM 2507 O HOH 56 110.409 -22.266 -5.485 1.00 19.18 O HETATM 2508 O HOH 57 121.620 -28.211 -19.932 1.00 45.80 O HETATM 2509 O HOH 58 119.106 -13.328 -6.719 1.00 17.40 O HETATM 2510 O HOH 59 129.892 -25.067 -3.610 1.00 40.85 O HETATM 2511 O HOH 60 128.020 -21.296 -12.832 1.00 41.06 O HETATM 2512 O HOH 61 99.638 -6.918 2.683 1.00 28.75 O HETATM 2513 O HOH 62 113.247 -21.861 22.104 1.00 28.51 O HETATM 2514 O HOH 63 117.099 -12.376 -5.028 1.00 17.15 O HETATM 2515 O HOH 64 119.788 -29.427 -16.139 1.00 25.02 O HETATM 2516 O HOH 65 108.436 -30.559 13.754 1.00 24.29 O HETATM 2517 O HOH 66 120.137 -31.980 10.772 1.00 45.63 O HETATM 2518 O HOH 67 108.804 -16.170 27.322 1.00 50.84 O HETATM 2519 O HOH 68 124.556 -40.513 -6.452 1.00 48.11 O HETATM 2520 O HOH 69 87.096 -17.532 17.189 1.00 55.81 O HETATM 2521 O HOH 70 102.023 -7.834 18.635 1.00 32.06 O HETATM 2522 O HOH 71 92.472 -20.175 23.370 1.00 37.78 O HETATM 2523 O HOH 72 119.351 -29.849 12.693 1.00 33.23 O HETATM 2524 O HOH 73 122.783 -4.972 -0.484 1.00 27.34 O HETATM 2525 O HOH 74 127.662 -10.164 -14.298 1.00 31.39 O HETATM 2526 O HOH 75 103.197 -8.464 1.549 1.00 24.76 O HETATM 2527 O HOH 76 111.982 -0.657 13.036 1.00 45.11 O HETATM 2528 O HOH 77 119.543 -20.602 -6.583 1.00 20.51 O HETATM 2529 O HOH 78 110.176 -9.514 -5.777 1.00 27.41 O HETATM 2530 O HOH 79 105.883 -14.777 5.573 1.00 24.22 O HETATM 2531 O HOH 80 117.750 -14.792 -8.721 1.00 17.21 O HETATM 2532 O HOH 81 115.288 -6.479 -20.818 1.00 46.66 O HETATM 2533 O HOH 82 127.519 -4.501 3.895 1.00 50.88 O HETATM 2534 O HOH 83 107.679 -12.688 -9.284 1.00 53.59 O HETATM 2535 O HOH 84 91.582 -25.855 11.543 1.00 33.04 O HETATM 2536 O HOH 85 114.547 -0.474 7.905 1.00 41.08 O HETATM 2537 O HOH 86 108.009 -14.973 2.274 1.00 29.63 O HETATM 2538 O HOH 87 111.305 -18.150 -1.981 1.00 21.76 O HETATM 2539 O HOH 88 111.775 -8.796 22.331 1.00 34.08 O HETATM 2540 O HOH 89 114.287 -22.063 16.966 1.00 22.09 O HETATM 2541 O HOH 90 113.381 -9.970 -17.922 1.00 33.29 O HETATM 2542 O HOH 91 129.608 -33.069 -5.494 1.00 26.65 O HETATM 2543 O HOH 92 120.428 -15.608 -5.872 1.00 17.83 O HETATM 2544 O HOH 93 111.003 -22.450 25.481 1.00 38.74 O HETATM 2545 O HOH 94 128.362 -6.694 -3.342 1.00 42.65 O HETATM 2546 O HOH 95 126.871 7.904 -2.299 1.00 53.28 O HETATM 2547 O HOH 96 117.638 -25.530 12.267 1.00 19.22 O HETATM 2548 O HOH 97 98.663 -3.613 11.273 1.00 36.17 O HETATM 2549 O HOH 98 93.452 -9.940 16.693 1.00 33.95 O HETATM 2550 O HOH 99 128.392 -25.314 -11.544 1.00 24.91 O HETATM 2551 O HOH 100 121.340 -5.555 5.533 1.00 19.00 O HETATM 2552 O HOH 101 114.561 -3.559 16.666 1.00 53.76 O HETATM 2553 O HOH 102 122.203 -26.271 -15.943 1.00 24.51 O HETATM 2554 O HOH 103 108.717 -28.135 20.020 1.00 30.97 O HETATM 2555 O HOH 104 119.159 -6.652 20.677 1.00 28.91 O HETATM 2556 O HOH 105 112.219 -30.945 10.020 1.00 19.35 O HETATM 2557 O HOH 106 106.631 -10.513 0.378 1.00 30.89 O HETATM 2558 O HOH 107 95.129 -26.101 21.477 1.00 58.48 O HETATM 2559 O HOH 108 114.457 7.324 -0.030 1.00 46.81 O HETATM 2560 O HOH 109 120.179 -1.115 0.689 1.00 29.25 O HETATM 2561 O HOH 110 127.924 -15.192 -2.652 1.00 36.76 O HETATM 2562 O HOH 111 121.899 -10.613 18.364 1.00 18.02 O HETATM 2563 O HOH 112 112.234 2.274 -2.111 1.00 20.76 O HETATM 2564 O HOH 113 111.628 -32.661 11.956 1.00 27.77 O HETATM 2565 O HOH 114 96.078 -9.475 18.081 1.00 53.91 O HETATM 2566 O HOH 115 115.959 -5.885 17.743 1.00 28.07 O HETATM 2567 O HOH 116 112.523 -20.911 4.219 1.00 15.72 O HETATM 2568 O HOH 117 125.282 8.099 -6.798 1.00 44.35 O HETATM 2569 O HOH 118 129.626 -33.807 -2.495 1.00 38.53 O HETATM 2570 O HOH 119 119.800 -13.495 21.783 1.00 17.13 O HETATM 2571 O HOH 120 112.587 -25.280 20.197 1.00 39.27 O HETATM 2572 O HOH 121 125.187 -21.032 8.221 1.00 30.71 O HETATM 2573 O HOH 122 109.499 -42.283 3.547 1.00 21.83 O HETATM 2574 O HOH 123 107.686 -18.205 -3.740 1.00 31.61 O HETATM 2575 O HOH 124 115.047 -37.076 6.626 1.00 29.44 O HETATM 2576 O HOH 125 110.201 -1.259 6.464 1.00 30.15 O HETATM 2577 O HOH 126 91.169 -17.894 24.592 1.00 53.08 O HETATM 2578 O HOH 127 124.171 -16.331 -3.019 1.00 20.84 O HETATM 2579 O HOH 128 121.401 -33.302 -15.471 1.00 49.02 O HETATM 2580 O HOH 129 111.915 -35.239 -7.849 1.00 39.76 O HETATM 2581 O HOH 130 103.090 -4.782 -0.190 1.00 30.83 O HETATM 2582 O HOH 131 98.048 -33.187 13.710 1.00 44.39 O HETATM 2583 O HOH 132 128.740 -10.291 -2.294 1.00 27.96 O HETATM 2584 O HOH 133 107.979 -15.072 -9.450 1.00 51.96 O HETATM 2585 O HOH 134 125.453 -34.442 -13.733 1.00 55.39 O HETATM 2586 O HOH 135 116.150 2.686 -21.836 1.00 42.13 O HETATM 2587 O HOH 136 106.202 -25.500 2.874 1.00 29.31 O HETATM 2588 O HOH 137 108.097 -18.338 -0.300 1.00 35.46 O HETATM 2589 O HOH 138 101.876 -10.242 20.023 1.00 33.87 O HETATM 2590 O HOH 139 110.561 -34.477 -5.633 1.00 43.23 O HETATM 2591 O HOH 140 125.105 -13.918 -15.035 1.00 37.33 O HETATM 2592 O HOH 141 124.252 -30.142 -14.577 1.00 42.00 O HETATM 2593 O HOH 142 121.599 7.470 -9.459 1.00 36.83 O HETATM 2594 O HOH 143 110.325 -11.450 19.791 1.00 31.69 O HETATM 2595 O HOH 144 109.273 -15.792 4.592 1.00 19.24 O HETATM 2596 O HOH 145 120.750 -19.356 -4.207 1.00 17.25 O HETATM 2597 O HOH 146 113.934 6.087 -2.543 1.00 29.60 O HETATM 2598 O HOH 147 118.940 -2.087 5.716 1.00 31.49 O HETATM 2599 O HOH 148 126.446 -34.492 -0.430 1.00 32.06 O HETATM 2600 O HOH 149 109.690 -19.946 -3.384 1.00 21.03 O HETATM 2601 O HOH 150 125.073 -36.387 -1.749 1.00 29.62 O HETATM 2602 O HOH 151 109.909 -19.116 -12.112 1.00 30.09 O HETATM 2603 O HOH 152 102.761 -22.077 -1.417 1.00 43.68 O HETATM 2604 O HOH 153 96.621 -18.464 23.600 1.00 47.41 O HETATM 2605 O HOH 154 111.122 -3.339 7.965 1.00 26.75 O HETATM 2606 O HOH 155 112.910 7.158 -17.523 1.00 44.14 O HETATM 2607 O HOH 156 115.730 -32.610 13.178 1.00 58.37 O HETATM 2608 O HOH 157 117.484 -19.417 18.104 1.00 18.31 O HETATM 2609 O HOH 158 129.321 -10.372 -10.366 1.00 55.59 O HETATM 2610 O HOH 159 112.644 -35.185 12.342 1.00 60.20 O HETATM 2611 O HOH 160 127.831 -2.181 -10.150 1.00 31.07 O HETATM 2612 O HOH 161 103.810 -26.850 -4.708 1.00 53.32 O HETATM 2613 O HOH 162 96.142 -27.708 17.189 1.00 30.52 O HETATM 2614 O HOH 163 115.555 -25.596 16.082 1.00 24.98 O HETATM 2615 O HOH 164 110.599 -42.414 14.458 1.00 39.87 O HETATM 2616 O HOH 165 115.908 -17.255 18.718 1.00 17.01 O HETATM 2617 O HOH 166 112.790 -6.249 16.453 1.00 27.02 O HETATM 2618 O HOH 167 103.665 -29.406 20.856 1.00 36.76 O HETATM 2619 O HOH 168 118.745 -14.072 2.728 1.00 35.54 O HETATM 2620 O HOH 169 110.526 -8.060 -9.402 1.00 22.78 O HETATM 2621 O HOH 170 124.552 -19.306 -15.884 1.00 41.24 O HETATM 2622 O HOH 171 102.355 -35.606 5.611 1.00 35.34 O HETATM 2623 O HOH 172 116.372 -34.359 -10.651 1.00 38.34 O HETATM 2624 O HOH 173 125.650 -22.250 15.175 1.00 50.41 O HETATM 2625 O HOH 174 102.167 -0.486 1.565 1.00 50.28 O HETATM 2626 O HOH 175 126.917 -15.823 -6.123 1.00 27.40 O HETATM 2627 O HOH 176 124.303 -6.705 12.280 1.00 37.11 O HETATM 2628 O HOH 177 104.705 -27.615 2.365 1.00 28.81 O HETATM 2629 O HOH 178 107.613 -29.233 16.090 1.00 24.55 O HETATM 2630 O HOH 179 104.409 -15.758 3.796 1.00 28.84 O HETATM 2631 O HOH 180 123.374 -14.796 -16.612 1.00 47.41 O HETATM 2632 O HOH 181 105.704 -15.732 -7.584 1.00 46.32 O HETATM 2633 O HOH 182 127.846 -13.329 -6.342 1.00 64.28 O HETATM 2634 O HOH 183 123.561 -25.374 -20.277 1.00 30.67 O HETATM 2635 O HOH 184 129.415 -23.524 -7.011 1.00 28.94 O HETATM 2636 O HOH 185 125.101 -0.814 0.074 1.00 53.33 O HETATM 2637 O HOH 186 125.637 -0.427 -12.314 1.00 48.03 O HETATM 2638 O HOH 187 120.040 -18.157 -15.721 1.00 39.01 O HETATM 2639 O HOH 188 106.389 -16.453 26.279 1.00 50.57 O HETATM 2640 O HOH 189 125.965 -10.321 2.906 1.00 18.90 O HETATM 2641 O HOH 190 99.536 -18.687 24.953 1.00 57.43 O HETATM 2642 O HOH 191 118.673 -6.478 17.077 1.00 27.43 O HETATM 2643 O HOH 192 122.103 3.472 3.310 1.00 52.53 O HETATM 2644 O HOH 193 132.454 -15.749 4.682 1.00 51.97 O HETATM 2645 O HOH 194 124.718 -18.928 15.781 1.00 49.82 O HETATM 2646 O HOH 195 122.030 -30.541 9.612 1.00 51.04 O HETATM 2647 O HOH 196 118.739 13.600 -16.012 1.00 32.31 O HETATM 2648 O HOH 197 109.970 -27.898 16.559 1.00 23.30 O HETATM 2649 O HOH 198 119.902 6.910 -17.714 1.00 43.42 O HETATM 2650 O HOH 199 126.327 -22.937 -15.945 1.00 46.48 O HETATM 2651 O HOH 200 108.735 3.704 8.092 1.00 60.31 O HETATM 2652 O HOH 201 112.622 9.527 -16.581 1.00 44.53 O HETATM 2653 O HOH 202 122.421 -22.356 17.161 1.00 33.93 O HETATM 2654 O HOH 203 118.904 -35.333 -13.935 1.00 56.60 O HETATM 2655 O HOH 204 115.496 -18.429 -14.851 1.00 38.36 O HETATM 2656 O HOH 205 92.684 -13.557 21.437 1.00 40.28 O HETATM 2657 O HOH 206 123.312 -18.393 17.411 1.00 47.21 O HETATM 2658 O HOH 207 101.379 -1.055 4.634 1.00 45.67 O HETATM 2659 O HOH 208 127.849 -17.780 5.796 1.00 22.79 O HETATM 2660 O HOH 209 104.627 -5.850 -7.412 1.00 39.76 O HETATM 2661 O HOH 210 119.345 -36.047 0.518 1.00 29.13 O HETATM 2662 O HOH 211 90.055 -25.320 6.429 1.00 50.89 O HETATM 2663 O HOH 212 127.266 -14.134 8.184 1.00 24.56 O HETATM 2664 O HOH 213 128.994 -14.837 -12.776 1.00 45.61 O HETATM 2665 O HOH 214 123.497 -25.021 10.205 1.00 39.58 O HETATM 2666 O HOH 215 112.422 -38.379 10.740 1.00 25.63 O HETATM 2667 O HOH 216 121.572 -16.844 -3.603 1.00 18.06 O HETATM 2668 O HOH 217 125.743 -4.671 -1.682 1.00 29.63 O HETATM 2669 O HOH 218 130.920 -36.290 -9.911 1.00 55.69 O HETATM 2670 O HOH 219 132.030 -33.110 -2.064 1.00 31.40 O HETATM 2671 O HOH 220 87.946 -18.329 10.274 1.00 54.95 O HETATM 2672 O HOH 221 92.830 -26.398 16.165 1.00 40.24 O HETATM 2673 O HOH 222 107.139 -22.296 25.142 1.00 35.79 O HETATM 2674 O HOH 223 121.717 -4.582 11.502 1.00 41.61 O HETATM 2675 O HOH 224 100.955 -14.227 3.461 1.00 30.02 O HETATM 2676 O HOH 225 122.351 -26.921 7.311 1.00 45.18 O HETATM 2677 O HOH 226 107.055 -40.859 18.792 1.00 40.58 O HETATM 2678 O HOH 227 132.470 -25.978 -1.533 1.00 23.75 O HETATM 2679 O HOH 228 89.030 -21.258 8.794 1.00 41.76 O HETATM 2680 O HOH 229 131.778 -29.322 -11.655 1.00 57.60 O HETATM 2681 O HOH 230 125.936 -16.168 -1.182 1.00 41.60 O HETATM 2682 O HOH 231 121.731 6.323 3.026 1.00 49.47 O HETATM 2683 O HOH 232 124.855 4.801 -9.961 1.00 32.74 O HETATM 2684 O HOH 233 133.653 -30.413 -11.884 1.00 46.05 O HETATM 2685 O HOH 234 108.944 -4.624 -10.949 1.00 43.09 O HETATM 2686 O HOH 235 100.958 -1.618 -3.091 1.00 47.88 O HETATM 2687 O HOH 236 119.645 1.397 -22.438 1.00 41.88 O HETATM 2688 O HOH 237 120.527 10.343 -5.860 1.00 51.80 O HETATM 2689 O HOH 238 98.980 -5.311 16.925 1.00 54.46 O HETATM 2690 O HOH 239 121.043 -8.296 16.959 1.00 21.45 O HETATM 2691 O HOH 240 111.779 -26.791 -14.010 1.00 36.93 O HETATM 2692 O HOH 241 105.216 -14.364 24.872 1.00 44.51 O HETATM 2693 O HOH 242 124.440 -4.997 4.346 1.00 34.95 O HETATM 2694 O HOH 243 127.604 -24.752 3.751 1.00 36.18 O HETATM 2695 O HOH 244 115.249 -24.405 -18.947 1.00 53.58 O HETATM 2696 O HOH 245 92.158 -11.646 18.522 1.00 30.04 O HETATM 2697 O HOH 246 123.418 -32.965 -14.228 1.00 42.99 O HETATM 2698 O HOH 247 106.753 -11.522 22.324 1.00 38.45 O HETATM 2699 O HOH 248 99.732 -27.234 2.817 1.00 49.43 O HETATM 2700 O HOH 249 106.199 -17.142 1.600 1.00 38.42 O HETATM 2701 O HOH 250 121.263 -12.937 -16.543 1.00 25.07 O HETATM 2702 O HOH 251 128.878 -14.698 -0.202 1.00 40.69 O HETATM 2703 O HOH 252 108.480 -1.732 -15.629 1.00 39.62 O HETATM 2704 O HOH 253 109.455 6.917 -15.620 1.00 48.47 O HETATM 2705 O HOH 254 95.871 -25.889 3.940 1.00 27.57 O HETATM 2706 O HOH 255 90.971 -11.884 7.744 1.00 29.34 O HETATM 2707 O HOH 256 119.564 -34.035 6.705 1.00 54.95 O HETATM 2708 O HOH 257 119.380 -38.123 -2.195 1.00 46.40 O HETATM 2709 O HOH 258 105.548 -34.115 0.116 1.00 40.51 O HETATM 2710 O HOH 259 128.311 -13.930 14.251 1.00 44.91 O HETATM 2711 O HOH 260 127.267 -18.066 -2.836 1.00 19.55 O HETATM 2712 O HOH 261 116.251 -1.785 9.520 1.00 32.63 O HETATM 2713 O HOH 262 93.331 -27.927 7.949 1.00 61.78 O HETATM 2714 O HOH 263 96.713 -16.753 0.083 1.00 43.48 O HETATM 2715 O HOH 264 100.364 -31.555 19.813 1.00 53.54 O HETATM 2716 O HOH 265 114.495 8.347 -19.905 1.00 59.72 O HETATM 2717 O HOH 266 117.051 -35.536 6.952 1.00 41.01 O HETATM 2718 O HOH 267 99.342 -30.398 8.188 1.00 50.19 O HETATM 2719 O HOH 268 101.033 -34.299 3.957 1.00 52.72 O HETATM 2720 O HOH 269 106.323 2.267 5.302 1.00 42.28 O HETATM 2721 O HOH 270 98.840 -14.898 1.379 1.00 22.85 O HETATM 2722 O HOH 271 119.841 -4.254 17.773 1.00 53.11 O HETATM 2723 O HOH 272 107.253 -2.261 -10.094 1.00 51.45 O HETATM 2724 O HOH 273 130.262 -26.180 -13.957 1.00 49.45 O HETATM 2725 O HOH 274 125.110 -31.741 3.805 1.00 53.53 O HETATM 2726 O HOH 275 122.686 -0.101 0.704 1.00 43.84 O HETATM 2727 O HOH 276 118.043 -26.876 15.945 1.00 50.20 O HETATM 2728 O HOH 277 110.801 -40.807 8.878 1.00 50.49 O HETATM 2729 O HOH 278 126.709 -37.474 -3.493 1.00 40.78 O HETATM 2730 O HOH 279 113.368 -7.345 20.580 1.00 37.96 O HETATM 2731 O HOH 280 120.210 7.608 -15.149 1.00 46.23 O HETATM 2732 O HOH 281 106.885 -3.256 19.096 1.00 58.75 O HETATM 2733 O HOH 282 120.375 -16.153 20.760 1.00 33.19 O HETATM 2734 O HOH 283 126.914 -5.724 8.309 1.00 41.23 O HETATM 2735 O HOH 284 103.523 -30.124 1.597 1.00 45.20 O HETATM 2736 O HOH 285 102.503 3.695 -4.289 1.00 26.75 O HETATM 2737 O HOH 286 120.545 -3.496 6.935 1.00 41.33 O HETATM 2738 O HOH 287 104.741 -30.891 19.412 1.00 46.82 O HETATM 2739 O HOH 288 130.861 -14.246 -11.010 1.00 51.45 O HETATM 2740 O HOH 289 128.063 -8.532 -12.325 1.00 40.26 O HETATM 2741 O HOH 290 115.982 -21.398 19.288 1.00 34.09 O HETATM 2742 O HOH 291 115.682 -11.023 -19.583 1.00 44.30 O HETATM 2743 O HOH 292 121.954 -20.550 18.370 1.00 48.72 O HETATM 2744 O HOH 293 130.989 -29.296 -9.579 1.00 49.47 O HETATM 2745 O HOH 294 116.639 -28.887 -19.191 1.00 47.88 O HETATM 2746 O HOH 295 123.885 -24.534 14.797 1.00 47.75 O HETATM 2747 O HOH 296 117.509 -0.527 7.579 1.00 52.16 O HETATM 2748 O HOH 297 129.167 -5.866 -12.826 1.00 60.66 O HETATM 2749 O HOH 298 119.965 -1.850 -22.366 1.00 48.69 O HETATM 2750 O HOH 299 96.875 -30.348 9.622 1.00 39.75 O HETATM 2751 O HOH 300 103.647 1.962 4.937 1.00 51.52 O HETATM 2752 O HOH 301 111.329 -27.924 14.162 1.00 21.79 O HETATM 2753 O HOH 302 126.583 -18.564 9.669 1.00 50.63 O HETATM 2754 O HOH 303 126.599 -6.210 11.020 1.00 48.01 O HETATM 2755 O HOH 304 129.017 -12.546 7.218 1.00 51.01 O HETATM 2756 O HOH 305 111.217 -30.946 13.314 1.00 60.96 O HETATM 2757 O HOH 306 95.402 -13.446 23.269 1.00 43.73 O HETATM 2758 O HOH 307 93.641 -12.593 6.607 1.00 40.22 O HETATM 2759 O HOH 308 102.032 -2.663 12.902 1.00 49.49 O HETATM 2760 O HOH 309 119.667 2.159 2.807 1.00 38.23 O HETATM 2761 O HOH 310 103.790 -18.727 0.643 1.00 51.99 O HETATM 2762 O HOH 311 115.117 -0.231 11.360 1.00 49.40 O HETATM 2763 O HOH 312 104.791 -31.609 -0.239 1.00 35.88 O HETATM 2764 O HOH 313 110.004 -18.122 29.049 1.00 48.01 O HETATM 2765 O HOH 314 123.515 -6.971 16.732 1.00 39.66 O HETATM 2766 O HOH 315 95.025 -29.000 9.271 1.00 59.56 O HETATM 2767 O HOH 316 128.526 -24.041 6.539 1.00 59.52 O HETATM 2768 O HOH 317 91.332 -26.875 14.140 1.00 44.00 O HETATM 2769 O HOH 318 92.065 -27.710 9.786 1.00 52.68 O HETATM 2770 O HOH 319 120.351 11.919 -16.829 1.00 51.53 O HETATM 2771 O HOH 320 122.103 6.060 -13.572 1.00 64.43 O HETATM 2772 O HOH 321 106.202 1.451 7.860 1.00 54.89 O HETATM 2773 O HOH 322 124.592 -3.591 0.902 1.00 46.35 O HETATM 2774 O HOH 323 127.718 -11.822 11.187 1.00 31.82 O HETATM 2775 O HOH 324 103.267 -10.439 22.215 1.00 52.45 O HETATM 2776 O HOH 325 129.407 -12.106 -0.127 1.00 27.17 O HETATM 2777 O HOH 326 115.743 -16.170 -15.232 1.00 44.17 O HETATM 2778 O HOH 327 117.358 -38.138 -0.556 1.00 43.29 O HETATM 2779 O HOH 328 131.015 -25.574 -5.809 1.00 46.61 O HETATM 2780 O HOH 329 119.310 -13.626 -17.889 1.00 40.39 O HETATM 2781 O HOH 330 119.081 -19.267 20.294 1.00 39.97 O HETATM 2782 O HOH 331 119.076 -29.955 -18.744 1.00 45.96 O HETATM 2783 O HOH 332 123.945 -38.319 -0.204 1.00 47.86 O HETATM 2784 O HOH 333 118.419 -16.074 -17.154 1.00 52.09 O HETATM 2785 O HOH 334 119.777 -26.199 14.083 1.00 41.52 O HETATM 2786 O HOH 335 126.239 -8.401 13.233 1.00 40.65 O HETATM 2787 O HOH 336 107.352 -30.553 18.487 1.00 52.42 O HETATM 2788 O HOH 337 131.318 -12.513 9.116 1.00 48.41 O HETATM 2789 O HOH 338 101.701 -2.459 -0.137 1.00 45.72 O HETATM 2790 O HOH 339 100.061 -3.475 6.043 1.00 50.95 O HETATM 2791 O HOH 340 111.319 -18.101 -14.186 1.00 46.79 O HETATM 2792 O HOH 341 127.864 -14.691 11.274 1.00 40.08 O HETATM 2793 O HOH 342 125.820 -4.384 6.644 1.00 58.48 O HETATM 2794 O HOH 343 125.480 -23.213 9.455 1.00 53.30 O HETATM 2795 O HOH 344 108.562 -6.949 19.071 1.00 49.91 O HETATM 2796 O HOH 345 129.605 -6.749 7.035 1.00 57.21 O HETATM 2797 O HOH 346 112.824 -24.984 23.133 1.00 53.85 O HETATM 2798 O HOH 347 115.051 -25.581 18.810 1.00 32.41 O HETATM 2799 O HOH 348 129.066 -2.641 -12.457 1.00 50.54 O HETATM 2800 O HOH 349 95.968 -4.405 10.658 1.00 40.97 O HETATM 2801 O HOH 350 128.864 -36.513 -3.183 1.00 60.26 O HETATM 2802 O HOH 351 109.537 -16.463 -2.584 1.00 45.10 O HETATM 2803 O HOH 352 122.318 -28.922 -16.362 1.00 29.33 O HETATM 2804 O HOH 353 98.345 -3.530 15.226 1.00 52.31 O HETATM 2805 O HOH 354 114.891 -38.147 9.223 1.00 56.63 O HETATM 2806 O HOH 355 132.263 -32.819 -5.159 1.00 37.31 O HETATM 2807 O HOH 356 124.514 -26.278 5.749 1.00 47.70 O HETATM 2808 O HOH 357 123.254 6.650 -11.121 1.00 57.53 O HETATM 2809 O HOH 358 127.832 -34.900 1.727 1.00 50.52 O HETATM 2810 O HOH 359 115.064 -6.458 22.080 1.00 56.85 O HETATM 2811 O HOH 360 127.481 -16.564 8.141 1.00 41.72 O HETATM 2812 O HOH 361 116.426 9.057 0.834 1.00 51.36 O HETATM 2813 O HOH 362 125.122 1.812 -13.374 1.00 52.21 O HETATM 2814 O HOH 363 101.143 -6.842 0.129 1.00 24.32 O HETATM 2815 O HOH 364 129.808 -23.487 -9.989 1.00 36.10 O HETATM 2816 O HOH 365 93.849 -28.083 16.830 1.00 56.49 O HETATM 2817 O HOH 366 105.806 -18.632 -2.116 1.00 50.01 O HETATM 2818 O HOH 367 118.450 3.656 4.576 1.00 48.16 O HETATM 2819 O HOH 368 121.931 5.321 -18.116 1.00 49.12 O HETATM 2820 O HOH 369 92.486 -22.285 22.093 1.00 45.75 O HETATM 2821 O HOH 370 104.931 -11.664 24.077 1.00 48.33 O HETATM 2822 O HOH 371 109.966 -8.960 20.180 1.00 34.35 O HETATM 2823 O HOH 372 129.388 -11.031 9.107 1.00 50.50 O HETATM 2824 O HOH 373 107.627 -9.256 21.729 1.00 42.24 O HETATM 2825 O HOH 374 110.499 6.265 -18.615 1.00 56.05 O HETATM 2826 O HOH 375 132.149 -27.561 -6.895 1.00 56.23 O HETATM 2827 O HOH 376 121.242 -28.431 13.488 1.00 44.66 O HETATM 2828 O HOH 377 119.001 -15.954 22.969 1.00 27.91 O HETATM 2829 O HOH 378 119.868 -0.613 3.487 1.00 35.81 O HETATM 2830 O HOH 379 130.642 -17.862 4.920 1.00 40.97 O HETATM 2831 O HOH 380 93.847 -5.896 7.385 1.00 38.22 O HETATM 2832 O HOH 381 127.976 -21.141 -17.034 1.00 52.24 O HETATM 2833 O HOH 382 130.906 -16.203 0.000 1.00 29.76 O HETATM 2834 O HOH 383 123.584 3.324 -14.806 1.00 55.63 O HETATM 2835 O HOH 384 99.448 -2.700 1.855 1.00 56.95 O HETATM 2836 O HOH 385 133.439 -30.412 -5.864 1.00 65.76 O HETATM 2837 O HOH 386 129.357 -21.539 7.640 1.00 56.27 O HETATM 2838 O HOH 387 89.696 -11.723 19.098 1.00 48.60 O HETATM 2839 O HOH 388 129.788 -21.265 -11.371 1.00 50.69 O HETATM 2840 O HOH 389 88.762 -25.266 10.279 1.00 46.84 O HETATM 2841 O HOH 390 99.129 -4.558 3.643 1.00 44.03 O HETATM 2842 O HOH 391 99.263 -7.436 -0.845 1.00 52.87 O HETATM 2843 O HOH 392 110.579 -42.030 10.535 1.00 43.11 O HETATM 2844 O HOH 393 126.576 -17.181 11.782 1.00 35.04 O HETATM 2845 O HOH 394 130.376 -12.691 15.200 1.00 50.58 O HETATM 2846 O HOH 395 93.831 -11.620 4.099 1.00 48.95 O HETATM 2847 O HOH 396 121.513 -2.817 9.390 1.00 47.83 O HETATM 2848 O HOH 397 130.906 -18.732 0.000 1.00 52.91 O HETATM 2849 O HOH 398 122.953 -4.044 17.132 1.00 58.44 O HETATM 2850 O HOH 399 131.856 -17.814 2.271 1.00 48.40 O HETATM 2851 C1 KAN A 400 108.673 -18.470 -7.836 1.00 0.19 C HETATM 2852 C2 KAN A 400 107.311 -18.974 -7.368 1.00 0.13 C HETATM 2853 C3 KAN A 400 107.480 -20.357 -6.764 1.00 0.11 C HETATM 2854 C4 KAN A 400 108.082 -21.281 -7.815 1.00 0.11 C HETATM 2855 C5 KAN A 400 109.344 -20.638 -8.393 1.00 0.13 C HETATM 2856 C6 KAN A 400 109.796 -21.470 -9.589 1.00 -0.01 C HETATM 2857 N1 KAN A 400 110.976 -20.851 -10.175 1.00 0.22 N HETATM 2858 H22 KAN A 400 111.282 -21.394 -10.967 1.00 0.20 H HETATM 2859 H23 KAN A 400 111.713 -20.814 -9.488 1.00 0.20 H HETATM 2860 H24 KAN A 400 110.750 -19.916 -10.476 1.00 0.20 H HETATM 2861 H6 KAN A 400 108.990 -21.510 -10.337 1.00 0.08 H HETATM 2862 H7 KAN A 400 110.040 -22.490 -9.258 1.00 0.08 H HETATM 2863 O5 KAN A 400 109.118 -19.328 -8.852 1.00 -0.34 O HETATM 2864 H5 KAN A 400 110.128 -20.623 -7.622 1.00 0.07 H HETATM 2865 O8 KAN A 400 108.425 -22.537 -7.248 1.00 -0.39 O HETATM 2866 H36 KAN A 400 109.065 -22.407 -6.558 1.00 0.21 H HETATM 2867 H4 KAN A 400 107.348 -21.436 -8.620 1.00 0.06 H HETATM 2868 O7 KAN A 400 106.194 -20.824 -6.376 1.00 -0.39 O HETATM 2869 H35 KAN A 400 106.272 -21.698 -6.013 1.00 0.21 H HETATM 2870 H3 KAN A 400 108.142 -20.311 -5.887 1.00 0.06 H HETATM 2871 O6 KAN A 400 106.817 -18.101 -6.368 1.00 -0.38 O HETATM 2872 H34 KAN A 400 107.434 -18.066 -5.647 1.00 0.21 H HETATM 2873 H2 KAN A 400 106.611 -19.014 -8.216 1.00 0.07 H HETATM 2874 O9 KAN A 400 109.551 -18.465 -6.710 1.00 -0.34 O HETATM 2875 C10 KAN A 400 110.824 -17.846 -6.899 1.00 0.13 C HETATM 2876 C9 KAN A 400 110.754 -16.363 -7.288 1.00 0.12 C HETATM 2877 C8 KAN A 400 112.104 -15.666 -7.208 1.00 0.13 C HETATM 2878 C7 KAN A 400 112.599 -15.810 -5.775 1.00 0.01 C HETATM 2879 C12 KAN A 400 112.843 -17.277 -5.468 1.00 0.04 C HETATM 2880 C11 KAN A 400 111.511 -18.016 -5.537 1.00 0.01 C HETATM 2881 N2 KAN A 400 111.747 -19.445 -5.322 1.00 0.22 N HETATM 2882 H25 KAN A 400 110.870 -19.941 -5.366 1.00 0.20 H HETATM 2883 H26 KAN A 400 112.166 -19.584 -4.416 1.00 0.20 H HETATM 2884 H27 KAN A 400 112.367 -19.794 -6.036 1.00 0.20 H HETATM 2885 H12 KAN A 400 110.848 -17.628 -4.750 1.00 0.09 H HETATM 2886 H13 KAN A 400 113.271 -17.378 -4.460 1.00 0.04 H HETATM 2887 H14 KAN A 400 113.540 -17.699 -6.207 1.00 0.04 H HETATM 2888 N3 KAN A 400 113.840 -15.067 -5.610 1.00 0.22 N HETATM 2889 H28 KAN A 400 113.678 -14.093 -5.814 1.00 0.20 H HETATM 2890 H29 KAN A 400 114.536 -15.431 -6.242 1.00 0.20 H HETATM 2891 H30 KAN A 400 114.165 -15.162 -4.661 1.00 0.20 H HETATM 2892 H8 KAN A 400 111.840 -15.413 -5.085 1.00 0.09 H HETATM 2893 O11 KAN A 400 111.904 -14.297 -7.488 1.00 -0.34 O HETATM 2894 C13 KAN A 400 112.811 -13.724 -8.416 1.00 0.19 C HETATM 2895 C14 KAN A 400 112.975 -12.264 -8.008 1.00 0.15 C HETATM 2896 C15 KAN A 400 111.661 -11.500 -8.133 1.00 0.04 C HETATM 2897 C16 KAN A 400 111.212 -11.653 -9.569 1.00 0.13 C HETATM 2898 C17 KAN A 400 111.121 -13.118 -9.935 1.00 0.12 C HETATM 2899 C18 KAN A 400 110.803 -13.143 -11.422 1.00 0.07 C HETATM 2900 O15 KAN A 400 110.786 -14.481 -11.802 1.00 -0.39 O HETATM 2901 H40 KAN A 400 111.636 -14.869 -11.630 1.00 0.21 H HETATM 2902 H20 KAN A 400 111.576 -12.598 -11.985 1.00 0.06 H HETATM 2903 H21 KAN A 400 109.821 -12.683 -11.608 1.00 0.06 H HETATM 2904 O12 KAN A 400 112.342 -13.809 -9.758 1.00 -0.34 O HETATM 2905 H19 KAN A 400 110.329 -13.606 -9.348 1.00 0.06 H HETATM 2906 O14 KAN A 400 109.913 -11.098 -9.710 1.00 -0.38 O HETATM 2907 H39 KAN A 400 109.623 -11.199 -10.609 1.00 0.21 H HETATM 2908 H18 KAN A 400 111.920 -11.140 -10.236 1.00 0.07 H HETATM 2909 N4 KAN A 400 111.841 -10.081 -7.877 1.00 0.22 N HETATM 2910 H31 KAN A 400 112.141 -9.947 -6.924 1.00 0.20 H HETATM 2911 H32 KAN A 400 110.968 -9.599 -8.025 1.00 0.20 H HETATM 2912 H33 KAN A 400 112.539 -9.712 -8.504 1.00 0.20 H HETATM 2913 H17 KAN A 400 110.914 -11.914 -7.440 1.00 0.09 H HETATM 2914 O13 KAN A 400 113.334 -12.219 -6.651 1.00 -0.38 O HETATM 2915 H38 KAN A 400 113.440 -11.314 -6.382 1.00 0.21 H HETATM 2916 H16 KAN A 400 113.748 -11.790 -8.630 1.00 0.07 H HETATM 2917 H15 KAN A 400 113.779 -14.242 -8.348 1.00 0.09 H HETATM 2918 H9 KAN A 400 112.820 -16.108 -7.917 1.00 0.07 H HETATM 2919 O10 KAN A 400 110.363 -16.270 -8.643 1.00 -0.39 O HETATM 2920 H37 KAN A 400 111.000 -16.718 -9.187 1.00 0.21 H HETATM 2921 H10 KAN A 400 110.030 -15.851 -6.637 1.00 0.06 H HETATM 2922 H11 KAN A 400 111.383 -18.381 -7.680 1.00 0.07 H HETATM 2923 H1 KAN A 400 108.585 -17.448 -8.233 1.00 0.09 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 2851 2852 2863 2874 2923 CONECT 2852 2851 2853 2871 2873 CONECT 2853 2852 2854 2868 2870 CONECT 2854 2853 2855 2865 2867 CONECT 2855 2854 2856 2863 2864 CONECT 2856 2855 2857 2861 2862 CONECT 2857 2856 2858 2859 2860 CONECT 2858 2857 CONECT 2859 2857 CONECT 2860 2857 CONECT 2861 2856 CONECT 2862 2856 CONECT 2863 2851 2855 CONECT 2864 2855 CONECT 2865 2854 2866 CONECT 2866 2865 CONECT 2867 2854 CONECT 2868 2853 2869 CONECT 2869 2868 CONECT 2870 2853 CONECT 2871 2852 2872 CONECT 2872 2871 CONECT 2873 2852 CONECT 2874 2851 2875 CONECT 2875 2874 2876 2880 2922 CONECT 2876 2875 2877 2919 2921 CONECT 2877 2876 2878 2893 2918 CONECT 2878 2877 2879 2888 2892 CONECT 2879 2878 2880 2886 2887 CONECT 2880 2875 2879 2881 2885 CONECT 2881 2880 2882 2883 2884 CONECT 2882 2881 CONECT 2883 2881 CONECT 2884 2881 CONECT 2885 2880 CONECT 2886 2879 CONECT 2887 2879 CONECT 2888 2878 2889 2890 2891 CONECT 2889 2888 CONECT 2890 2888 CONECT 2891 2888 CONECT 2892 2878 CONECT 2893 2877 2894 CONECT 2894 2893 2895 2904 2917 CONECT 2895 2894 2896 2914 2916 CONECT 2896 2895 2897 2909 2913 CONECT 2897 2896 2898 2906 2908 CONECT 2898 2897 2899 2904 2905 CONECT 2899 2898 2900 2902 2903 CONECT 2900 2899 2901 CONECT 2901 2900 CONECT 2902 2899 CONECT 2903 2899 CONECT 2904 2894 2898 CONECT 2905 2898 CONECT 2906 2897 2907 CONECT 2907 2906 CONECT 2908 2897 CONECT 2909 2896 2910 2911 2912 CONECT 2910 2909 CONECT 2911 2909 CONECT 2912 2909 CONECT 2913 2896 CONECT 2914 2895 2915 CONECT 2915 2914 CONECT 2916 2895 CONECT 2917 2894 CONECT 2918 2877 CONECT 2919 2876 2920 CONECT 2920 2919 CONECT 2921 2876 CONECT 2922 2875 CONECT 2923 2851 MASTER 0 0 0 0 0 0 0 0 2922 1 77 21 END
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Structure:
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Related entries of code: 6o5u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6ntj
RCSB PDB
PDBbind
302aa, >6NTJ_1|Chain... at 100%
6nti
RCSB PDB
PDBbind
302aa, >6NTI_1|Chain... *
6np5
RCSB PDB
PDBbind
268aa, >6NP5_1|Chain... at 100%
6np4
RCSB PDB
PDBbind
268aa, >6NP4_1|Chain... at 100%
6np3
RCSB PDB
PDBbind
268aa, >6NP3_1|Chain... at 100%
6np2
RCSB PDB
PDBbind
268aa, >6NP2_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4dfb
RCSB PDB
PDBbind
KAN
Entry Information
PDB ID
6o5u
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
AAC-VIa
Ligand Name
KAN
EC.Number
E.C.2.3.1.81
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=42uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Angew.Chem.Int.Ed.Engl. Vol. 58: pp. 16260-16266
Ligand Properties
Formula
C
1
8
H
4
0
N
4
O
1
1
Molecular Weight
488.530
Exact Mass
488.269
No. of atoms
73
No. of bonds
75
Polar Surface Area
289.09
LOGP Value
-6.95 (
Computed with XLOGP3
)
-10.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)[NH3+])O)[NH3+])[C@@H]([C@H]([C@@H]1O)O)O
InChI String
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q47030
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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