Browse entries in the PDBbind-CN Database
HEADER 6NEM_COMPLEX COMPND 6NEM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 200 GLY PRO LEU GLY SER MET GLU ASP PHE VAL ARG GLN CYS SEQRES 2 A 200 PHE ASN PRO MET ILE VAL GLU LEU ALA GLU LYS ALA MET SEQRES 3 A 200 LYS GLU TYR GLY GLU ASP PRO LYS ILE GLU THR ASN LYS SEQRES 4 A 200 PHE ALA ALA ILE CYS THR HIS LEU GLU VAL CYS PHE MET SEQRES 5 A 200 TYR SER ASP PHE HIS PHE ILE ASP GLU ARG GLY GLU SER SEQRES 6 A 200 ILE ILE VAL GLU SER GLY ASP PRO ASN ALA LEU LEU LYS SEQRES 7 A 200 HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG ILE MET SEQRES 8 A 200 ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR THR GLY SEQRES 9 A 200 VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR ASP TYR SEQRES 10 A 200 LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR ARG ARG SEQRES 11 A 200 GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN LYS ILE SEQRES 12 A 200 LYS SER GLU LYS THR HIS ILE HIS ILE PHE SER PHE THR SEQRES 13 A 200 GLY GLU GLU MET ALA THR LYS ALA ASP TYR THR LEU ASP SEQRES 14 A 200 GLU GLU SER ARG ALA ARG ILE LYS THR ARG LEU PHE THR SEQRES 15 A 200 ILE ARG GLN GLU MET ALA SER ARG SER LEU TRP ASP SER SEQRES 16 A 200 PHE ARG GLN SER GLU HET MN A 1 1 HET MN A 2 1 HET MN A 3 1 HET KKS A 323 47 ATOM 1 N GLY A -4 37.716 34.786 -15.434 1.00 77.00 N ATOM 2 CA GLY A -4 38.202 33.529 -16.082 1.00 74.81 C ATOM 3 C GLY A -4 37.398 33.181 -17.320 1.00 69.01 C ATOM 4 O GLY A -4 36.445 33.887 -17.643 1.00 75.91 O ATOM 5 HN3 GLY A -4 36.721 34.668 -15.154 1.00 0.00 H ATOM 6 HN2 GLY A -4 37.797 35.575 -16.107 1.00 0.00 H ATOM 7 HN1 GLY A -4 38.293 34.986 -14.592 1.00 0.00 H ATOM 8 N PRO A -3 37.759 32.093 -18.001 1.00 57.90 N ATOM 9 CA PRO A -3 37.015 31.699 -19.202 1.00 51.21 C ATOM 10 C PRO A -3 35.597 31.270 -18.861 1.00 46.57 C ATOM 11 O PRO A -3 35.323 30.740 -17.783 1.00 46.98 O ATOM 12 CB PRO A -3 37.827 30.520 -19.746 1.00 51.28 C ATOM 13 CG PRO A -3 38.427 29.902 -18.498 1.00 51.65 C ATOM 14 CD PRO A -3 38.734 31.065 -17.594 1.00 52.22 C ATOM 15 N LEU A -2 34.693 31.442 -19.822 1.00 44.20 N ATOM 16 CA LEU A -2 33.315 30.988 -19.666 1.00 42.25 C ATOM 17 C LEU A -2 33.186 29.534 -20.114 1.00 41.19 C ATOM 18 O LEU A -2 33.485 29.189 -21.263 1.00 47.08 O ATOM 19 CB LEU A -2 32.350 31.893 -20.441 1.00 46.40 C ATOM 20 CG LEU A -2 31.832 33.151 -19.737 1.00 50.50 C ATOM 21 CD1 LEU A -2 32.949 34.149 -19.433 1.00 57.70 C ATOM 22 CD2 LEU A -2 30.742 33.803 -20.552 1.00 53.25 C ATOM 23 H LEU A -2 34.975 31.911 -20.706 1.00 0.00 H ATOM 24 N GLY A -1 32.741 28.690 -19.215 1.00 39.27 N ATOM 25 CA GLY A -1 32.528 27.298 -19.528 1.00 42.06 C ATOM 26 C GLY A -1 31.190 27.090 -20.219 1.00 39.53 C ATOM 27 O GLY A -1 30.432 28.016 -20.507 1.00 42.64 O ATOM 28 H GLY A -1 32.537 29.032 -18.254 1.00 0.00 H ATOM 29 N SER A 0 30.908 25.849 -20.527 1.00 39.01 N ATOM 30 CA SER A 0 29.585 25.504 -21.026 1.00 40.35 C ATOM 31 C SER A 0 28.769 24.877 -19.911 1.00 36.30 C ATOM 32 O SER A 0 29.248 23.989 -19.200 1.00 38.40 O ATOM 33 CB SER A 0 29.687 24.586 -22.229 1.00 39.03 C ATOM 34 OG SER A 0 29.013 23.364 -22.087 1.00 42.35 O ATOM 35 HG SER A 0 29.387 22.870 -21.315 1.00 0.00 H ATOM 36 H SER A 0 31.630 25.109 -20.415 1.00 0.00 H ATOM 37 N MET A 1 27.525 25.326 -19.778 1.00 36.90 N ATOM 38 CA MET A 1 26.660 24.741 -18.761 1.00 32.26 C ATOM 39 C MET A 1 26.451 23.255 -19.012 1.00 31.71 C ATOM 40 O MET A 1 26.317 22.484 -18.062 1.00 31.15 O ATOM 41 CB MET A 1 25.315 25.465 -18.699 1.00 32.91 C ATOM 42 CG MET A 1 24.352 24.896 -17.646 1.00 30.40 C ATOM 43 SD MET A 1 24.980 25.119 -15.982 1.00 34.73 S ATOM 44 CE MET A 1 24.490 26.798 -15.692 1.00 34.69 C ATOM 45 H MET A 1 27.172 26.087 -20.393 1.00 0.00 H ATOM 46 N GLU A 2 26.408 22.823 -20.277 1.00 34.37 N ATOM 47 CA GLU A 2 26.232 21.391 -20.526 1.00 35.05 C ATOM 48 C GLU A 2 27.409 20.609 -19.966 1.00 35.13 C ATOM 49 O GLU A 2 27.222 19.553 -19.358 1.00 39.00 O ATOM 50 CB GLU A 2 26.074 21.064 -22.017 1.00 38.93 C ATOM 51 CG GLU A 2 25.749 19.545 -22.240 1.00 45.08 C ATOM 52 CD GLU A 2 25.636 19.148 -23.715 1.00 57.96 C ATOM 53 OE1 GLU A 2 25.692 20.038 -24.604 1.00 65.73 O ATOM 54 OE2 GLU A 2 25.513 17.932 -23.977 1.00 54.25 O ATOM 55 H GLU A 2 26.498 23.491 -21.069 1.00 0.00 H ATOM 56 N ASP A 3 28.627 21.108 -20.177 1.00 34.01 N ATOM 57 CA ASP A 3 29.791 20.446 -19.604 1.00 36.39 C ATOM 58 C ASP A 3 29.677 20.364 -18.075 1.00 37.54 C ATOM 59 O ASP A 3 29.934 19.313 -17.480 1.00 38.95 O ATOM 60 CB ASP A 3 31.080 21.184 -19.969 1.00 35.85 C ATOM 61 CG ASP A 3 31.529 20.984 -21.429 1.00 43.67 C ATOM 62 OD1 ASP A 3 30.909 20.193 -22.187 1.00 44.36 O ATOM 63 OD2 ASP A 3 32.548 21.622 -21.795 1.00 41.55 O ATOM 64 H ASP A 3 28.746 21.968 -20.749 1.00 0.00 H ATOM 65 N PHE A 4 29.338 21.483 -17.425 1.00 36.33 N ATOM 66 CA PHE A 4 29.122 21.491 -15.987 1.00 37.48 C ATOM 67 C PHE A 4 28.138 20.407 -15.560 1.00 35.54 C ATOM 68 O PHE A 4 28.418 19.632 -14.639 1.00 36.77 O ATOM 69 CB PHE A 4 28.624 22.859 -15.532 1.00 35.86 C ATOM 70 CG PHE A 4 28.185 22.866 -14.104 1.00 35.46 C ATOM 71 CD1 PHE A 4 29.107 22.983 -13.072 1.00 37.78 C ATOM 72 CD2 PHE A 4 26.854 22.695 -13.780 1.00 35.30 C ATOM 73 CE1 PHE A 4 28.689 22.929 -11.765 1.00 37.37 C ATOM 74 CE2 PHE A 4 26.451 22.645 -12.464 1.00 34.32 C ATOM 75 CZ PHE A 4 27.376 22.769 -11.462 1.00 35.61 C ATOM 76 H PHE A 4 29.226 22.368 -17.960 1.00 0.00 H ATOM 77 N VAL A 5 26.974 20.344 -16.218 1.00 32.58 N ATOM 78 CA VAL A 5 25.948 19.384 -15.828 1.00 29.73 C ATOM 79 C VAL A 5 26.474 17.959 -15.929 1.00 32.07 C ATOM 80 O VAL A 5 26.231 17.128 -15.040 1.00 32.83 O ATOM 81 CB VAL A 5 24.673 19.589 -16.663 1.00 32.06 C ATOM 82 CG1 VAL A 5 23.705 18.432 -16.500 1.00 33.05 C ATOM 83 CG2 VAL A 5 24.017 20.849 -16.257 1.00 33.12 C ATOM 84 H VAL A 5 26.799 20.987 -17.016 1.00 0.00 H ATOM 85 N ARG A 6 27.166 17.643 -17.010 1.00 36.92 N ATOM 86 CA ARG A 6 27.582 16.266 -17.223 1.00 38.74 C ATOM 87 C ARG A 6 28.748 15.921 -16.326 1.00 37.98 C ATOM 88 O ARG A 6 28.924 14.753 -15.974 1.00 39.93 O ATOM 89 CB ARG A 6 27.978 16.026 -18.694 1.00 41.18 C ATOM 90 CG ARG A 6 26.802 16.081 -19.676 1.00 43.74 C ATOM 91 CD ARG A 6 27.142 15.563 -21.081 1.00 46.72 C ATOM 92 NE ARG A 6 26.003 15.869 -21.921 1.00 47.30 N ATOM 93 CZ ARG A 6 24.846 15.219 -21.865 1.00 47.03 C ATOM 94 NH1 ARG A 6 24.680 14.186 -21.044 1.00 46.43 N ATOM 95 NH2 ARG A 6 23.860 15.588 -22.661 1.00 49.37 N ATOM 96 HE ARG A 6 26.096 16.643 -22.609 1.00 0.00 H ATOM 97 HH12 ARG A 6 23.767 13.688 -21.013 1.00 0.00 H ATOM 98 HH11 ARG A 6 25.463 13.876 -20.433 1.00 0.00 H ATOM 99 HH22 ARG A 6 22.949 15.087 -22.627 1.00 0.00 H ATOM 100 HH21 ARG A 6 23.994 16.379 -23.322 1.00 0.00 H ATOM 101 H ARG A 6 27.412 18.376 -17.705 1.00 0.00 H ATOM 102 N GLN A 7 29.553 16.918 -15.955 1.00 37.25 N ATOM 103 CA GLN A 7 30.721 16.658 -15.125 1.00 37.07 C ATOM 104 C GLN A 7 30.394 16.663 -13.640 1.00 37.37 C ATOM 105 O GLN A 7 31.124 16.049 -12.874 1.00 38.11 O ATOM 106 CB GLN A 7 31.822 17.683 -15.410 1.00 40.49 C ATOM 107 CG GLN A 7 32.471 17.490 -16.798 1.00 45.80 C ATOM 108 CD GLN A 7 33.229 18.715 -17.281 1.00 48.67 C ATOM 109 OE1 GLN A 7 33.504 19.635 -16.519 1.00 48.31 O ATOM 110 NE2 GLN A 7 33.547 18.737 -18.573 1.00 50.95 N ATOM 111 HE22 GLN A 7 33.294 17.935 -19.184 1.00 0.00 H ATOM 112 HE21 GLN A 7 34.048 19.557 -18.971 1.00 0.00 H ATOM 113 H GLN A 7 29.345 17.890 -16.261 1.00 0.00 H ATOM 114 N CYS A 8 29.277 17.243 -13.240 1.00 34.14 N ATOM 115 CA CYS A 8 29.051 17.537 -11.848 1.00 37.82 C ATOM 116 C CYS A 8 27.815 16.889 -11.250 1.00 36.19 C ATOM 117 O CYS A 8 27.672 16.945 -10.037 1.00 35.77 O ATOM 118 CB CYS A 8 28.984 19.054 -11.646 1.00 38.86 C ATOM 119 SG CYS A 8 30.629 19.858 -11.962 1.00 46.31 S ATOM 120 H CYS A 8 28.550 17.491 -13.941 1.00 0.00 H ATOM 121 N PHE A 9 26.913 16.320 -12.055 1.00 33.54 N ATOM 122 CA PHE A 9 25.800 15.531 -11.584 1.00 29.71 C ATOM 123 C PHE A 9 26.052 14.070 -11.926 1.00 33.41 C ATOM 124 O PHE A 9 26.649 13.749 -12.962 1.00 35.50 O ATOM 125 CB PHE A 9 24.480 16.025 -12.201 1.00 28.88 C ATOM 126 CG PHE A 9 24.070 17.359 -11.684 1.00 29.60 C ATOM 127 CD1 PHE A 9 23.475 17.462 -10.428 1.00 30.30 C ATOM 128 CD2 PHE A 9 24.338 18.511 -12.404 1.00 31.42 C ATOM 129 CE1 PHE A 9 23.106 18.712 -9.910 1.00 30.19 C ATOM 130 CE2 PHE A 9 23.986 19.761 -11.920 1.00 31.51 C ATOM 131 CZ PHE A 9 23.391 19.877 -10.655 1.00 31.79 C ATOM 132 H PHE A 9 27.019 16.453 -13.081 1.00 0.00 H ATOM 133 N ASN A 10 25.567 13.205 -11.058 1.00 34.69 N ATOM 134 CA ASN A 10 25.613 11.765 -11.277 1.00 42.39 C ATOM 135 C ASN A 10 24.979 11.415 -12.625 1.00 38.62 C ATOM 136 O ASN A 10 23.958 12.006 -12.994 1.00 38.89 O ATOM 137 CB ASN A 10 24.864 11.059 -10.135 1.00 53.53 C ATOM 138 CG ASN A 10 24.817 9.570 -10.300 1.00 64.85 C ATOM 139 OD1 ASN A 10 23.998 9.047 -11.042 1.00 66.77 O ATOM 140 ND2 ASN A 10 25.698 8.869 -9.599 1.00 74.03 N ATOM 141 HD22 ASN A 10 26.377 9.357 -8.980 1.00 0.00 H ATOM 142 HD21 ASN A 10 25.710 7.831 -9.668 1.00 0.00 H ATOM 143 H ASN A 10 25.135 13.564 -10.183 1.00 0.00 H ATOM 144 N PRO A 11 25.521 10.442 -13.370 1.00 40.22 N ATOM 145 CA PRO A 11 24.942 10.135 -14.692 1.00 39.86 C ATOM 146 C PRO A 11 23.468 9.761 -14.658 1.00 40.72 C ATOM 147 O PRO A 11 22.745 10.041 -15.620 1.00 40.70 O ATOM 148 CB PRO A 11 25.804 8.964 -15.187 1.00 44.07 C ATOM 149 CG PRO A 11 27.128 9.211 -14.569 1.00 45.00 C ATOM 150 CD PRO A 11 26.832 9.785 -13.192 1.00 41.04 C ATOM 151 N MET A 12 22.995 9.138 -13.588 1.00 44.50 N ATOM 152 CA MET A 12 21.581 8.785 -13.529 1.00 50.95 C ATOM 153 C MET A 12 20.714 10.022 -13.431 1.00 41.71 C ATOM 154 O MET A 12 19.651 10.090 -14.058 1.00 39.12 O ATOM 155 CB MET A 12 21.285 7.880 -12.339 1.00 66.23 C ATOM 156 CG MET A 12 19.784 7.736 -12.115 1.00 80.18 C ATOM 157 SD MET A 12 19.314 6.836 -10.642 1.00 93.86 S ATOM 158 CE MET A 12 20.063 7.810 -9.332 1.00100.29 C ATOM 159 H MET A 12 23.627 8.903 -12.797 1.00 0.00 H ATOM 160 N ILE A 13 21.134 10.994 -12.623 1.00 35.91 N ATOM 161 CA ILE A 13 20.394 12.248 -12.537 1.00 34.05 C ATOM 162 C ILE A 13 20.356 12.928 -13.902 1.00 33.75 C ATOM 163 O ILE A 13 19.286 13.325 -14.393 1.00 33.52 O ATOM 164 CB ILE A 13 21.011 13.149 -11.461 1.00 33.11 C ATOM 165 CG1 ILE A 13 20.663 12.569 -10.081 1.00 37.18 C ATOM 166 CG2 ILE A 13 20.520 14.602 -11.615 1.00 29.44 C ATOM 167 CD1 ILE A 13 21.420 13.212 -8.996 1.00 39.79 C ATOM 168 H ILE A 13 21.992 10.858 -12.052 1.00 0.00 H ATOM 169 N VAL A 14 21.519 13.016 -14.559 1.00 34.86 N ATOM 170 CA VAL A 14 21.601 13.674 -15.851 1.00 33.71 C ATOM 171 C VAL A 14 20.694 12.978 -16.857 1.00 36.07 C ATOM 172 O VAL A 14 19.988 13.624 -17.641 1.00 36.21 O ATOM 173 CB VAL A 14 23.057 13.693 -16.346 1.00 36.04 C ATOM 174 CG1 VAL A 14 23.101 14.261 -17.740 1.00 37.07 C ATOM 175 CG2 VAL A 14 23.927 14.502 -15.406 1.00 34.15 C ATOM 176 H VAL A 14 22.377 12.607 -14.138 1.00 0.00 H ATOM 177 N GLU A 15 20.692 11.652 -16.835 1.00 36.09 N ATOM 178 CA GLU A 15 19.889 10.895 -17.777 1.00 42.39 C ATOM 179 C GLU A 15 18.397 11.119 -17.531 1.00 38.61 C ATOM 180 O GLU A 15 17.623 11.295 -18.480 1.00 38.63 O ATOM 181 CB GLU A 15 20.254 9.414 -17.658 1.00 52.77 C ATOM 182 CG GLU A 15 19.581 8.491 -18.648 1.00 66.08 C ATOM 183 CD GLU A 15 20.069 7.066 -18.487 1.00 78.80 C ATOM 184 OE1 GLU A 15 20.608 6.742 -17.404 1.00 84.69 O ATOM 185 OE2 GLU A 15 19.927 6.268 -19.434 1.00 83.13 O ATOM 186 H GLU A 15 21.273 11.149 -16.134 1.00 0.00 H ATOM 187 N LEU A 16 17.963 11.080 -16.278 1.00 33.98 N ATOM 188 CA LEU A 16 16.544 11.279 -16.002 1.00 35.84 C ATOM 189 C LEU A 16 16.091 12.676 -16.417 1.00 34.77 C ATOM 190 O LEU A 16 15.032 12.833 -17.039 1.00 37.68 O ATOM 191 CB LEU A 16 16.269 11.041 -14.526 1.00 35.31 C ATOM 192 CG LEU A 16 16.323 9.575 -14.091 1.00 36.22 C ATOM 193 CD1 LEU A 16 16.274 9.523 -12.606 1.00 37.84 C ATOM 194 CD2 LEU A 16 15.160 8.760 -14.632 1.00 36.61 C ATOM 195 H LEU A 16 18.629 10.909 -15.498 1.00 0.00 H ATOM 196 N ALA A 17 16.880 13.704 -16.080 1.00 32.25 N ATOM 197 CA ALA A 17 16.624 15.068 -16.559 1.00 33.26 C ATOM 198 C ALA A 17 16.602 15.159 -18.085 1.00 35.47 C ATOM 199 O ALA A 17 15.710 15.795 -18.666 1.00 36.54 O ATOM 200 CB ALA A 17 17.682 16.017 -15.968 1.00 30.73 C ATOM 201 H ALA A 17 17.698 13.531 -15.461 1.00 0.00 H ATOM 202 N GLU A 18 17.584 14.544 -18.762 1.00 40.24 N ATOM 203 CA GLU A 18 17.642 14.606 -20.226 1.00 43.28 C ATOM 204 C GLU A 18 16.409 13.973 -20.863 1.00 43.72 C ATOM 205 O GLU A 18 15.820 14.523 -21.808 1.00 45.01 O ATOM 206 CB GLU A 18 18.889 13.884 -20.732 1.00 51.70 C ATOM 207 CG GLU A 18 20.051 14.747 -21.012 1.00 59.50 C ATOM 208 CD GLU A 18 21.020 14.086 -21.968 1.00 63.10 C ATOM 209 OE1 GLU A 18 21.877 13.302 -21.490 1.00 57.43 O ATOM 210 OE2 GLU A 18 20.912 14.354 -23.192 1.00 69.13 O ATOM 211 H GLU A 18 18.314 14.016 -18.241 1.00 0.00 H ATOM 212 N LYS A 19 16.065 12.766 -20.429 1.00 48.27 N ATOM 213 CA LYS A 19 14.897 12.083 -20.986 1.00 57.87 C ATOM 214 C LYS A 19 13.641 12.930 -20.822 1.00 53.41 C ATOM 215 O LYS A 19 12.892 13.142 -21.780 1.00 56.54 O ATOM 216 CB LYS A 19 14.713 10.727 -20.312 1.00 71.01 C ATOM 217 CG LYS A 19 15.747 9.678 -20.688 1.00 84.33 C ATOM 218 CD LYS A 19 15.526 8.422 -19.850 1.00 92.88 C ATOM 219 CE LYS A 19 16.533 7.319 -20.155 1.00100.36 C ATOM 220 NZ LYS A 19 16.409 6.196 -19.172 1.00104.05 N ATOM 221 HZ1 LYS A 19 16.586 6.556 -18.212 1.00 0.00 H ATOM 222 HZ2 LYS A 19 15.450 5.797 -19.222 1.00 0.00 H ATOM 223 HZ3 LYS A 19 17.105 5.458 -19.401 1.00 0.00 H ATOM 224 H LYS A 19 16.630 12.303 -19.688 1.00 0.00 H ATOM 225 N ALA A 20 13.417 13.457 -19.619 1.00 47.59 N ATOM 226 CA ALA A 20 12.209 14.232 -19.366 1.00 45.80 C ATOM 227 C ALA A 20 12.148 15.481 -20.239 1.00 44.84 C ATOM 228 O ALA A 20 11.097 15.806 -20.797 1.00 43.80 O ATOM 229 CB ALA A 20 12.129 14.610 -17.897 1.00 40.41 C ATOM 230 H ALA A 20 14.109 13.314 -18.856 1.00 0.00 H ATOM 231 N MET A 21 13.253 16.228 -20.343 1.00 46.72 N ATOM 232 CA MET A 21 13.213 17.407 -21.195 1.00 42.91 C ATOM 233 C MET A 21 12.894 17.011 -22.634 1.00 44.51 C ATOM 234 O MET A 21 12.075 17.658 -23.304 1.00 43.68 O ATOM 235 CB MET A 21 14.543 18.165 -21.102 1.00 37.63 C ATOM 236 CG MET A 21 14.803 18.790 -19.737 1.00 33.67 C ATOM 237 SD MET A 21 16.332 19.778 -19.757 1.00 37.83 S ATOM 238 CE MET A 21 15.875 21.071 -20.884 1.00 40.53 C ATOM 239 H MET A 21 14.119 15.972 -19.828 1.00 0.00 H ATOM 240 N LYS A 22 13.523 15.935 -23.118 1.00 48.85 N ATOM 241 CA LYS A 22 13.350 15.534 -24.513 1.00 54.95 C ATOM 242 C LYS A 22 11.906 15.154 -24.799 1.00 61.05 C ATOM 243 O LYS A 22 11.343 15.551 -25.827 1.00 61.66 O ATOM 244 CB LYS A 22 14.287 14.374 -24.854 1.00 60.81 C ATOM 245 CG LYS A 22 15.719 14.805 -25.225 1.00 68.48 C ATOM 246 CD LYS A 22 16.587 13.577 -25.490 1.00 79.30 C ATOM 247 CE LYS A 22 18.060 13.919 -25.664 1.00 85.95 C ATOM 248 NZ LYS A 22 18.864 12.691 -25.949 1.00 90.30 N ATOM 249 HZ1 LYS A 22 18.767 12.023 -25.158 1.00 0.00 H ATOM 250 HZ2 LYS A 22 18.518 12.247 -26.824 1.00 0.00 H ATOM 251 HZ3 LYS A 22 19.864 12.952 -26.063 1.00 0.00 H ATOM 252 H LYS A 22 14.142 15.377 -22.495 1.00 0.00 H ATOM 253 N GLU A 23 11.284 14.396 -23.895 1.00 62.51 N ATOM 254 CA GLU A 23 9.878 14.053 -24.087 1.00 66.05 C ATOM 255 C GLU A 23 9.017 15.303 -24.129 1.00 60.98 C ATOM 256 O GLU A 23 8.005 15.350 -24.841 1.00 61.01 O ATOM 257 CB GLU A 23 9.402 13.127 -22.973 1.00 69.31 C ATOM 258 CG GLU A 23 9.698 11.653 -23.204 1.00 79.87 C ATOM 259 CD GLU A 23 8.941 10.769 -22.230 1.00 89.52 C ATOM 260 OE1 GLU A 23 9.234 10.837 -21.015 1.00 92.83 O ATOM 261 OE2 GLU A 23 8.036 10.029 -22.674 1.00 94.12 O ATOM 262 H GLU A 23 11.797 14.051 -23.059 1.00 0.00 H ATOM 263 N TYR A 24 9.421 16.328 -23.400 1.00 59.07 N ATOM 264 CA TYR A 24 8.682 17.568 -23.305 1.00 60.78 C ATOM 265 C TYR A 24 8.973 18.537 -24.444 1.00 59.65 C ATOM 266 O TYR A 24 8.498 19.676 -24.386 1.00 63.01 O ATOM 267 CB TYR A 24 9.007 18.224 -21.976 1.00 64.22 C ATOM 268 CG TYR A 24 7.866 18.956 -21.358 1.00 69.82 C ATOM 269 CD1 TYR A 24 6.871 18.270 -20.678 1.00 76.17 C ATOM 270 CD2 TYR A 24 7.799 20.340 -21.420 1.00 71.05 C ATOM 271 CE1 TYR A 24 5.829 18.935 -20.079 1.00 79.88 C ATOM 272 CE2 TYR A 24 6.757 21.026 -20.829 1.00 75.11 C ATOM 273 CZ TYR A 24 5.769 20.316 -20.156 1.00 80.43 C ATOM 274 OH TYR A 24 4.720 20.989 -19.560 1.00 83.25 O ATOM 275 HH TYR A 24 4.113 20.336 -19.129 1.00 0.00 H ATOM 276 H TYR A 24 10.311 16.239 -22.870 1.00 0.00 H ATOM 277 N GLY A 25 9.727 18.119 -25.465 1.00 55.12 N ATOM 278 CA GLY A 25 10.069 18.978 -26.590 1.00 58.16 C ATOM 279 C GLY A 25 11.163 20.002 -26.333 1.00 60.27 C ATOM 280 O GLY A 25 11.439 20.822 -27.222 1.00 66.87 O ATOM 281 H GLY A 25 10.083 17.142 -25.456 1.00 0.00 H ATOM 282 N GLU A 26 11.784 19.995 -25.162 1.00 59.40 N ATOM 283 CA GLU A 26 12.843 20.944 -24.841 1.00 59.72 C ATOM 284 C GLU A 26 14.205 20.280 -24.980 1.00 59.78 C ATOM 285 O GLU A 26 14.427 19.195 -24.435 1.00 63.05 O ATOM 286 CB GLU A 26 12.660 21.490 -23.426 1.00 61.67 C ATOM 287 CG GLU A 26 11.577 22.538 -23.353 1.00 72.66 C ATOM 288 CD GLU A 26 11.126 22.831 -21.953 1.00 81.06 C ATOM 289 OE1 GLU A 26 11.260 21.951 -21.066 1.00 84.97 O ATOM 290 OE2 GLU A 26 10.637 23.966 -21.750 1.00 84.29 O ATOM 291 H GLU A 26 11.507 19.290 -24.449 1.00 0.00 H ATOM 292 N ASP A 27 15.120 20.933 -25.709 1.00 56.99 N ATOM 293 CA ASP A 27 16.428 20.345 -25.958 1.00 51.74 C ATOM 294 C ASP A 27 17.374 20.713 -24.816 1.00 45.84 C ATOM 295 O ASP A 27 17.591 21.909 -24.567 1.00 45.09 O ATOM 296 CB ASP A 27 16.972 20.810 -27.317 1.00 55.42 C ATOM 297 CG ASP A 27 18.198 20.006 -27.777 1.00 59.40 C ATOM 298 OD1 ASP A 27 18.945 19.463 -26.925 1.00 55.70 O ATOM 299 OD2 ASP A 27 18.436 19.932 -28.998 1.00 68.23 O ATOM 300 H ASP A 27 14.893 21.869 -26.101 1.00 0.00 H ATOM 301 N PRO A 28 17.917 19.742 -24.068 1.00 46.05 N ATOM 302 CA PRO A 28 18.863 20.095 -23.017 1.00 43.02 C ATOM 303 C PRO A 28 20.146 20.717 -23.555 1.00 44.07 C ATOM 304 O PRO A 28 20.853 21.375 -22.781 1.00 41.37 O ATOM 305 CB PRO A 28 19.143 18.758 -22.311 1.00 44.66 C ATOM 306 CG PRO A 28 18.243 17.725 -22.992 1.00 45.64 C ATOM 307 CD PRO A 28 17.793 18.283 -24.263 1.00 46.94 C ATOM 308 N LYS A 29 20.474 20.508 -24.829 1.00 49.54 N ATOM 309 CA LYS A 29 21.647 21.152 -25.431 1.00 52.36 C ATOM 310 C LYS A 29 21.433 22.638 -25.657 1.00 48.08 C ATOM 311 O LYS A 29 22.404 23.354 -25.903 1.00 49.48 O ATOM 312 CB LYS A 29 21.990 20.531 -26.779 1.00 60.90 C ATOM 313 CG LYS A 29 22.188 19.042 -26.815 1.00 68.83 C ATOM 314 CD LYS A 29 23.299 18.597 -25.927 1.00 69.34 C ATOM 315 CE LYS A 29 24.270 17.676 -26.646 1.00 72.75 C ATOM 316 NZ LYS A 29 23.607 16.637 -27.497 1.00 75.63 N ATOM 317 HZ1 LYS A 29 22.999 16.039 -26.901 1.00 0.00 H ATOM 318 HZ2 LYS A 29 23.029 17.104 -28.225 1.00 0.00 H ATOM 319 HZ3 LYS A 29 24.334 16.049 -27.953 1.00 0.00 H ATOM 320 H LYS A 29 19.887 19.875 -25.409 1.00 0.00 H ATOM 321 N ILE A 30 20.186 23.101 -25.648 1.00 47.41 N ATOM 322 CA ILE A 30 19.846 24.504 -25.847 1.00 45.27 C ATOM 323 C ILE A 30 19.400 25.145 -24.541 1.00 46.21 C ATOM 324 O ILE A 30 19.935 26.181 -24.126 1.00 46.04 O ATOM 325 CB ILE A 30 18.755 24.653 -26.937 1.00 46.70 C ATOM 326 CG1 ILE A 30 19.297 24.155 -28.273 1.00 51.66 C ATOM 327 CG2 ILE A 30 18.277 26.110 -27.047 1.00 47.29 C ATOM 328 CD1 ILE A 30 18.401 24.469 -29.474 1.00 59.23 C ATOM 329 H ILE A 30 19.412 22.425 -25.490 1.00 0.00 H ATOM 330 N GLU A 31 18.430 24.521 -23.864 1.00 44.58 N ATOM 331 CA GLU A 31 17.890 25.044 -22.612 1.00 44.36 C ATOM 332 C GLU A 31 18.744 24.493 -21.472 1.00 39.28 C ATOM 333 O GLU A 31 18.321 23.675 -20.665 1.00 37.97 O ATOM 334 CB GLU A 31 16.420 24.670 -22.460 1.00 52.42 C ATOM 335 CG GLU A 31 15.456 25.331 -23.449 1.00 62.36 C ATOM 336 CD GLU A 31 15.327 26.833 -23.236 1.00 68.08 C ATOM 337 OE1 GLU A 31 15.539 27.308 -22.095 1.00 67.09 O ATOM 338 OE2 GLU A 31 15.023 27.553 -24.215 1.00 74.22 O ATOM 339 H GLU A 31 18.047 23.632 -24.243 1.00 0.00 H ATOM 340 N THR A 32 19.994 24.956 -21.446 1.00 37.12 N ATOM 341 CA THR A 32 20.995 24.381 -20.573 1.00 37.52 C ATOM 342 C THR A 32 20.840 24.870 -19.145 1.00 32.15 C ATOM 343 O THR A 32 21.063 24.100 -18.208 1.00 30.60 O ATOM 344 CB THR A 32 22.385 24.697 -21.105 1.00 38.68 C ATOM 345 OG1 THR A 32 22.536 26.128 -21.198 1.00 43.07 O ATOM 346 CG2 THR A 32 22.545 24.028 -22.506 1.00 40.95 C ATOM 347 HG1 THR A 32 23.439 26.342 -21.544 1.00 0.00 H ATOM 348 H THR A 32 20.256 25.748 -22.067 1.00 0.00 H ATOM 349 N ASN A 33 20.459 26.132 -18.958 1.00 32.92 N ATOM 350 CA ASN A 33 20.224 26.611 -17.603 1.00 36.90 C ATOM 351 C ASN A 33 19.046 25.854 -17.008 1.00 35.49 C ATOM 352 O ASN A 33 19.071 25.479 -15.848 1.00 33.42 O ATOM 353 CB ASN A 33 19.976 28.127 -17.589 1.00 40.15 C ATOM 354 CG ASN A 33 21.262 28.945 -17.835 1.00 43.01 C ATOM 355 OD1 ASN A 33 22.387 28.481 -17.573 1.00 39.82 O ATOM 356 ND2 ASN A 33 21.094 30.152 -18.374 1.00 47.17 N ATOM 357 HD22 ASN A 33 20.136 30.502 -18.577 1.00 0.00 H ATOM 358 HD21 ASN A 33 21.921 30.744 -18.591 1.00 0.00 H ATOM 359 H ASN A 33 20.331 26.768 -19.770 1.00 0.00 H ATOM 360 N LYS A 34 18.022 25.589 -17.808 1.00 34.94 N ATOM 361 CA LYS A 34 16.917 24.754 -17.332 1.00 37.15 C ATOM 362 C LYS A 34 17.393 23.329 -17.043 1.00 34.26 C ATOM 363 O LYS A 34 17.077 22.757 -15.991 1.00 31.06 O ATOM 364 CB LYS A 34 15.795 24.781 -18.371 1.00 36.67 C ATOM 365 CG LYS A 34 14.702 23.752 -18.192 1.00 43.06 C ATOM 366 CD LYS A 34 13.582 23.937 -19.240 1.00 55.17 C ATOM 367 CE LYS A 34 12.752 25.207 -19.025 1.00 64.16 C ATOM 368 NZ LYS A 34 12.041 25.616 -20.283 1.00 72.89 N ATOM 369 HZ1 LYS A 34 12.740 25.800 -21.031 1.00 0.00 H ATOM 370 HZ2 LYS A 34 11.404 24.851 -20.584 1.00 0.00 H ATOM 371 HZ3 LYS A 34 11.489 26.479 -20.103 1.00 0.00 H ATOM 372 H LYS A 34 18.004 25.974 -18.774 1.00 0.00 H ATOM 373 N PHE A 35 18.194 22.760 -17.954 1.00 33.23 N ATOM 374 CA PHE A 35 18.819 21.462 -17.717 1.00 34.65 C ATOM 375 C PHE A 35 19.491 21.387 -16.342 1.00 32.84 C ATOM 376 O PHE A 35 19.286 20.431 -15.581 1.00 31.91 O ATOM 377 CB PHE A 35 19.826 21.219 -18.841 1.00 35.77 C ATOM 378 CG PHE A 35 20.364 19.829 -18.935 1.00 36.84 C ATOM 379 CD1 PHE A 35 19.757 18.741 -18.313 1.00 36.58 C ATOM 380 CD2 PHE A 35 21.509 19.619 -19.669 1.00 38.61 C ATOM 381 CE1 PHE A 35 20.278 17.482 -18.466 1.00 36.08 C ATOM 382 CE2 PHE A 35 22.035 18.372 -19.807 1.00 39.08 C ATOM 383 CZ PHE A 35 21.438 17.304 -19.223 1.00 37.41 C ATOM 384 H PHE A 35 18.375 23.255 -18.851 1.00 0.00 H ATOM 385 N ALA A 36 20.336 22.378 -16.013 1.00 34.16 N ATOM 386 CA ALA A 36 21.035 22.340 -14.729 1.00 31.99 C ATOM 387 C ALA A 36 20.073 22.508 -13.555 1.00 30.46 C ATOM 388 O ALA A 36 20.264 21.882 -12.508 1.00 31.55 O ATOM 389 CB ALA A 36 22.126 23.409 -14.699 1.00 33.67 C ATOM 390 H ALA A 36 20.493 23.170 -16.669 1.00 0.00 H ATOM 391 N ALA A 37 19.050 23.365 -13.694 1.00 30.98 N ATOM 392 CA ALA A 37 18.052 23.549 -12.636 1.00 30.70 C ATOM 393 C ALA A 37 17.218 22.282 -12.393 1.00 27.50 C ATOM 394 O ALA A 37 16.923 21.933 -11.243 1.00 29.44 O ATOM 395 CB ALA A 37 17.133 24.731 -12.988 1.00 31.73 C ATOM 396 H ALA A 37 18.963 23.912 -14.574 1.00 0.00 H ATOM 397 N ILE A 38 16.868 21.562 -13.451 1.00 27.39 N ATOM 398 CA ILE A 38 16.121 20.309 -13.318 1.00 26.40 C ATOM 399 C ILE A 38 16.991 19.244 -12.681 1.00 27.58 C ATOM 400 O ILE A 38 16.526 18.455 -11.842 1.00 23.63 O ATOM 401 CB ILE A 38 15.601 19.862 -14.694 1.00 32.13 C ATOM 402 CG1 ILE A 38 14.491 20.817 -15.191 1.00 31.11 C ATOM 403 CG2 ILE A 38 15.095 18.427 -14.641 1.00 32.55 C ATOM 404 CD1 ILE A 38 14.104 20.582 -16.709 1.00 35.23 C ATOM 405 H ILE A 38 17.131 21.896 -14.400 1.00 0.00 H ATOM 406 N CYS A 39 18.280 19.224 -13.024 1.00 27.61 N ATOM 407 CA CYS A 39 19.165 18.269 -12.355 1.00 27.75 C ATOM 408 C CYS A 39 19.307 18.593 -10.871 1.00 27.87 C ATOM 409 O CYS A 39 19.305 17.681 -10.036 1.00 27.27 O ATOM 410 CB CYS A 39 20.553 18.241 -12.972 1.00 27.90 C ATOM 411 SG CYS A 39 20.625 17.467 -14.615 1.00 30.90 S ATOM 412 H CYS A 39 18.648 19.872 -13.750 1.00 0.00 H ATOM 413 N THR A 40 19.474 19.874 -10.548 1.00 26.69 N ATOM 414 CA THR A 40 19.629 20.321 -9.173 1.00 26.38 C ATOM 415 C THR A 40 18.404 19.946 -8.343 1.00 26.53 C ATOM 416 O THR A 40 18.539 19.379 -7.254 1.00 25.57 O ATOM 417 CB THR A 40 19.858 21.827 -9.120 1.00 26.65 C ATOM 418 OG1 THR A 40 21.053 22.187 -9.820 1.00 27.49 O ATOM 419 CG2 THR A 40 20.013 22.314 -7.657 1.00 27.79 C ATOM 420 HG1 THR A 40 20.976 21.910 -10.767 1.00 0.00 H ATOM 421 H THR A 40 19.494 20.583 -11.309 1.00 0.00 H ATOM 422 N HIS A 41 17.199 20.230 -8.862 1.00 26.65 N ATOM 423 CA HIS A 41 15.968 19.888 -8.170 1.00 25.74 C ATOM 424 C HIS A 41 15.859 18.387 -7.967 1.00 27.84 C ATOM 425 O HIS A 41 15.526 17.914 -6.857 1.00 24.59 O ATOM 426 CB HIS A 41 14.766 20.445 -8.936 1.00 27.44 C ATOM 427 CG HIS A 41 13.426 19.950 -8.452 1.00 26.78 C ATOM 428 ND1 HIS A 41 12.857 18.790 -8.934 1.00 26.94 N ATOM 429 CD2 HIS A 41 12.536 20.458 -7.557 1.00 25.34 C ATOM 430 CE1 HIS A 41 11.676 18.602 -8.367 1.00 27.21 C ATOM 431 NE2 HIS A 41 11.457 19.593 -7.519 1.00 25.55 N ATOM 432 H HIS A 41 17.145 20.708 -9.784 1.00 0.00 H ATOM 433 N LEU A 42 16.128 17.607 -9.017 1.00 24.17 N ATOM 434 CA LEU A 42 16.036 16.154 -8.871 1.00 24.73 C ATOM 435 C LEU A 42 17.024 15.650 -7.811 1.00 26.45 C ATOM 436 O LEU A 42 16.690 14.794 -6.968 1.00 22.41 O ATOM 437 CB LEU A 42 16.266 15.476 -10.236 1.00 28.85 C ATOM 438 CG LEU A 42 16.229 13.952 -10.234 1.00 32.15 C ATOM 439 CD1 LEU A 42 14.869 13.408 -9.823 1.00 35.12 C ATOM 440 CD2 LEU A 42 16.601 13.423 -11.603 1.00 32.86 C ATOM 441 H LEU A 42 16.400 18.028 -9.928 1.00 0.00 H ATOM 442 N GLU A 43 18.225 16.214 -7.803 1.00 25.82 N ATOM 443 CA GLU A 43 19.220 15.798 -6.823 1.00 27.40 C ATOM 444 C GLU A 43 18.784 16.146 -5.401 1.00 27.32 C ATOM 445 O GLU A 43 19.000 15.360 -4.462 1.00 26.16 O ATOM 446 CB GLU A 43 20.570 16.457 -7.124 1.00 29.30 C ATOM 447 CG GLU A 43 21.677 15.889 -6.214 1.00 31.33 C ATOM 448 CD GLU A 43 23.045 16.393 -6.555 1.00 37.52 C ATOM 449 OE1 GLU A 43 23.201 17.605 -6.711 1.00 37.31 O ATOM 450 OE2 GLU A 43 23.976 15.583 -6.653 1.00 44.11 O ATOM 451 H GLU A 43 18.456 16.954 -8.497 1.00 0.00 H ATOM 452 N VAL A 44 18.176 17.324 -5.220 1.00 26.30 N ATOM 453 CA VAL A 44 17.642 17.686 -3.908 1.00 26.49 C ATOM 454 C VAL A 44 16.565 16.702 -3.478 1.00 25.72 C ATOM 455 O VAL A 44 16.535 16.281 -2.307 1.00 24.68 O ATOM 456 CB VAL A 44 17.132 19.141 -3.894 1.00 25.94 C ATOM 457 CG1 VAL A 44 16.481 19.474 -2.534 1.00 28.91 C ATOM 458 CG2 VAL A 44 18.325 20.110 -4.157 1.00 27.36 C ATOM 459 H VAL A 44 18.083 17.986 -6.017 1.00 0.00 H ATOM 460 N CYS A 45 15.705 16.254 -4.418 1.00 23.64 N ATOM 461 CA CYS A 45 14.695 15.242 -4.070 1.00 24.82 C ATOM 462 C CYS A 45 15.340 13.954 -3.571 1.00 25.38 C ATOM 463 O CYS A 45 14.867 13.331 -2.605 1.00 25.93 O ATOM 464 CB CYS A 45 13.793 14.938 -5.286 1.00 24.21 C ATOM 465 SG CYS A 45 12.704 16.362 -5.712 1.00 29.46 S ATOM 466 H CYS A 45 15.757 16.624 -5.388 1.00 0.00 H ATOM 467 N PHE A 46 16.378 13.497 -4.260 1.00 25.25 N ATOM 468 CA PHE A 46 17.079 12.291 -3.839 1.00 27.46 C ATOM 469 C PHE A 46 17.773 12.507 -2.505 1.00 28.04 C ATOM 470 O PHE A 46 17.670 11.663 -1.599 1.00 30.00 O ATOM 471 CB PHE A 46 18.103 11.865 -4.897 1.00 30.33 C ATOM 472 CG PHE A 46 17.487 11.358 -6.186 1.00 40.74 C ATOM 473 CD1 PHE A 46 16.125 11.173 -6.319 1.00 48.01 C ATOM 474 CD2 PHE A 46 18.290 11.092 -7.278 1.00 44.48 C ATOM 475 CE1 PHE A 46 15.576 10.713 -7.528 1.00 51.80 C ATOM 476 CE2 PHE A 46 17.743 10.616 -8.470 1.00 45.48 C ATOM 477 CZ PHE A 46 16.386 10.440 -8.583 1.00 47.94 C ATOM 478 H PHE A 46 16.695 14.005 -5.110 1.00 0.00 H ATOM 479 N MET A 47 18.447 13.652 -2.339 1.00 26.12 N ATOM 480 CA MET A 47 19.148 13.897 -1.079 1.00 28.60 C ATOM 481 C MET A 47 18.192 14.032 0.098 1.00 29.71 C ATOM 482 O MET A 47 18.583 13.750 1.246 1.00 28.42 O ATOM 483 CB MET A 47 20.019 15.158 -1.179 1.00 31.38 C ATOM 484 CG MET A 47 21.239 15.022 -2.101 1.00 33.06 C ATOM 485 SD MET A 47 22.231 16.512 -2.124 1.00 33.89 S ATOM 486 CE MET A 47 22.987 16.535 -0.548 1.00 35.67 C ATOM 487 H MET A 47 18.472 14.361 -3.099 1.00 0.00 H ATOM 488 N TYR A 48 16.960 14.500 -0.147 1.00 29.73 N ATOM 489 CA TYR A 48 15.993 14.665 0.925 1.00 29.19 C ATOM 490 C TYR A 48 15.610 13.296 1.459 1.00 29.12 C ATOM 491 O TYR A 48 15.282 13.138 2.637 1.00 25.63 O ATOM 492 CB TYR A 48 14.777 15.426 0.376 1.00 25.36 C ATOM 493 CG TYR A 48 13.853 16.115 1.339 1.00 27.27 C ATOM 494 CD1 TYR A 48 13.952 17.463 1.514 1.00 27.65 C ATOM 495 CD2 TYR A 48 12.836 15.427 2.023 1.00 21.80 C ATOM 496 CE1 TYR A 48 13.122 18.143 2.330 1.00 27.09 C ATOM 497 CE2 TYR A 48 11.989 16.107 2.864 1.00 29.14 C ATOM 498 CZ TYR A 48 12.141 17.439 3.033 1.00 27.09 C ATOM 499 OH TYR A 48 11.290 18.103 3.877 1.00 29.30 O ATOM 500 HH TYR A 48 11.527 19.064 3.894 1.00 0.00 H ATOM 501 H TYR A 48 16.692 14.749 -1.120 1.00 0.00 H ATOM 502 N SER A 49 15.602 12.309 0.571 1.00 24.90 N ATOM 503 CA SER A 49 15.135 10.973 0.872 1.00 28.12 C ATOM 504 C SER A 49 16.247 10.064 1.348 1.00 28.60 C ATOM 505 O SER A 49 15.982 9.140 2.121 1.00 31.06 O ATOM 506 CB SER A 49 14.511 10.344 -0.381 1.00 33.77 C ATOM 507 OG SER A 49 14.192 8.977 -0.070 1.00 40.16 O ATOM 508 HG SER A 49 15.019 8.495 0.182 1.00 0.00 H ATOM 509 H SER A 49 15.949 12.506 -0.389 1.00 0.00 H ATOM 510 N ASP A 50 17.469 10.307 0.875 1.00 36.44 N ATOM 511 CA ASP A 50 18.672 9.576 1.276 1.00 43.33 C ATOM 512 C ASP A 50 18.759 9.329 2.767 1.00 41.94 C ATOM 513 O ASP A 50 18.742 10.276 3.564 1.00 41.94 O ATOM 514 CB ASP A 50 19.929 10.364 0.890 1.00 54.52 C ATOM 515 CG ASP A 50 20.355 10.142 -0.526 1.00 60.55 C ATOM 516 OD1 ASP A 50 19.817 9.222 -1.170 1.00 62.59 O ATOM 517 OD2 ASP A 50 21.253 10.890 -0.984 1.00 60.96 O ATOM 518 H ASP A 50 17.575 11.067 0.174 1.00 0.00 H ATOM 519 N PHE A 51 19.019 8.070 3.125 1.00 43.29 N ATOM 520 CA PHE A 51 19.470 7.649 4.453 1.00 44.95 C ATOM 521 C PHE A 51 18.337 7.559 5.451 1.00 40.42 C ATOM 522 O PHE A 51 18.598 7.247 6.602 1.00 41.61 O ATOM 523 CB PHE A 51 20.516 8.606 5.049 1.00 52.90 C ATOM 524 CG PHE A 51 21.691 8.864 4.156 1.00 66.52 C ATOM 525 CD1 PHE A 51 22.276 7.832 3.442 1.00 77.20 C ATOM 526 CD2 PHE A 51 22.214 10.145 4.034 1.00 69.56 C ATOM 527 CE1 PHE A 51 23.363 8.072 2.634 1.00 84.79 C ATOM 528 CE2 PHE A 51 23.301 10.384 3.234 1.00 76.68 C ATOM 529 CZ PHE A 51 23.875 9.351 2.531 1.00 83.26 C ATOM 530 H PHE A 51 18.891 7.330 2.405 1.00 0.00 H ATOM 531 N HIS A 52 17.107 7.874 5.065 1.00 39.24 N ATOM 532 CA HIS A 52 16.000 8.007 5.998 1.00 39.19 C ATOM 533 C HIS A 52 15.141 6.747 5.899 1.00 37.69 C ATOM 534 O HIS A 52 14.588 6.453 4.835 1.00 33.62 O ATOM 535 CB HIS A 52 15.174 9.259 5.683 1.00 36.79 C ATOM 536 CG HIS A 52 15.832 10.526 6.109 1.00 37.61 C ATOM 537 ND1 HIS A 52 15.834 10.947 7.414 1.00 42.99 N ATOM 538 CD2 HIS A 52 16.528 11.463 5.411 1.00 40.26 C ATOM 539 CE1 HIS A 52 16.530 12.067 7.518 1.00 47.65 C ATOM 540 NE2 HIS A 52 16.962 12.405 6.317 1.00 46.66 N ATOM 541 H HIS A 52 16.927 8.032 4.053 1.00 0.00 H ATOM 542 N PHE A 53 15.008 6.042 7.011 1.00 41.32 N ATOM 543 CA PHE A 53 14.288 4.785 7.066 1.00 42.09 C ATOM 544 C PHE A 53 13.290 4.842 8.211 1.00 44.98 C ATOM 545 O PHE A 53 13.385 5.694 9.099 1.00 44.58 O ATOM 546 CB PHE A 53 15.250 3.598 7.273 1.00 44.96 C ATOM 547 CG PHE A 53 16.207 3.416 6.159 1.00 43.66 C ATOM 548 CD1 PHE A 53 15.889 2.621 5.101 1.00 42.75 C ATOM 549 CD2 PHE A 53 17.431 4.086 6.156 1.00 46.77 C ATOM 550 CE1 PHE A 53 16.765 2.471 4.031 1.00 46.05 C ATOM 551 CE2 PHE A 53 18.309 3.943 5.113 1.00 46.11 C ATOM 552 CZ PHE A 53 17.982 3.129 4.040 1.00 47.21 C ATOM 553 H PHE A 53 15.439 6.406 7.885 1.00 0.00 H ATOM 554 N ILE A 54 12.331 3.923 8.154 1.00 47.02 N ATOM 555 CA ILE A 54 11.443 3.593 9.265 1.00 55.09 C ATOM 556 C ILE A 54 11.918 2.266 9.836 1.00 57.18 C ATOM 557 O ILE A 54 12.074 1.294 9.085 1.00 54.55 O ATOM 558 CB ILE A 54 9.976 3.467 8.817 1.00 57.92 C ATOM 559 CG1 ILE A 54 9.506 4.741 8.109 1.00 60.91 C ATOM 560 CG2 ILE A 54 9.097 3.107 10.010 1.00 60.64 C ATOM 561 CD1 ILE A 54 9.607 5.980 8.957 1.00 63.24 C ATOM 562 H ILE A 54 12.205 3.406 7.261 1.00 0.00 H ATOM 563 N ASP A 55 12.146 2.224 11.147 1.00 65.38 N ATOM 564 CA ASP A 55 12.831 1.096 11.767 1.00 74.74 C ATOM 565 C ASP A 55 11.861 -0.073 11.983 1.00 83.65 C ATOM 566 O ASP A 55 10.713 -0.064 11.524 1.00 82.11 O ATOM 567 CB ASP A 55 13.520 1.523 13.075 1.00 73.21 C ATOM 568 CG ASP A 55 12.549 2.035 14.129 1.00 68.19 C ATOM 569 OD1 ASP A 55 11.321 1.902 13.939 1.00 69.06 O ATOM 570 OD2 ASP A 55 13.024 2.588 15.139 1.00 65.52 O ATOM 571 H ASP A 55 11.828 3.015 11.743 1.00 0.00 H ATOM 572 N GLU A 56 12.353 -1.121 12.661 1.00 86.33 N ATOM 573 CA GLU A 56 11.532 -2.300 12.933 1.00 87.90 C ATOM 574 C GLU A 56 10.324 -1.938 13.783 1.00 81.75 C ATOM 575 O GLU A 56 9.256 -2.544 13.628 1.00 81.21 O ATOM 576 CB GLU A 56 12.368 -3.378 13.628 1.00 96.29 C ATOM 577 CG GLU A 56 13.604 -3.778 12.848 1.00 99.50 C ATOM 578 CD GLU A 56 14.707 -4.310 13.724 1.00105.42 C ATOM 579 OE1 GLU A 56 15.764 -3.651 13.775 1.00109.04 O ATOM 580 OE2 GLU A 56 14.528 -5.372 14.360 1.00106.98 O ATOM 581 H GLU A 56 13.336 -1.094 12.999 1.00 0.00 H ATOM 582 N ARG A 57 10.465 -0.915 14.635 1.00 78.51 N ATOM 583 CA ARG A 57 9.417 -0.433 15.526 1.00 82.41 C ATOM 584 C ARG A 57 8.574 0.686 14.934 1.00 76.29 C ATOM 585 O ARG A 57 7.625 1.118 15.596 1.00 76.65 O ATOM 586 CB ARG A 57 10.015 0.113 16.823 1.00 89.43 C ATOM 587 CG ARG A 57 11.059 -0.760 17.515 1.00 98.84 C ATOM 588 CD ARG A 57 11.785 0.060 18.603 1.00107.95 C ATOM 589 NE ARG A 57 12.448 1.229 18.011 1.00110.72 N ATOM 590 CZ ARG A 57 12.514 2.440 18.560 1.00113.45 C ATOM 591 NH1 ARG A 57 11.958 2.686 19.740 1.00120.76 N ATOM 592 NH2 ARG A 57 13.134 3.420 17.910 1.00107.38 N ATOM 593 HE ARG A 57 12.904 1.100 17.085 1.00 0.00 H ATOM 594 HH12 ARG A 57 12.019 3.638 20.155 1.00 0.00 H ATOM 595 HH11 ARG A 57 11.462 1.927 20.249 1.00 0.00 H ATOM 596 HH22 ARG A 57 13.190 4.369 18.331 1.00 0.00 H ATOM 597 HH21 ARG A 57 13.563 3.238 16.980 1.00 0.00 H ATOM 598 H ARG A 57 11.385 -0.431 14.663 1.00 0.00 H ATOM 599 N GLY A 58 8.922 1.212 13.752 1.00 72.34 N ATOM 600 CA GLY A 58 8.140 2.254 13.130 1.00 67.85 C ATOM 601 C GLY A 58 8.607 3.679 13.358 1.00 69.46 C ATOM 602 O GLY A 58 7.948 4.604 12.862 1.00 69.81 O ATOM 603 H GLY A 58 9.775 0.862 13.271 1.00 0.00 H ATOM 604 N GLU A 59 9.712 3.894 14.084 1.00 70.87 N ATOM 605 CA GLU A 59 10.294 5.223 14.254 1.00 71.14 C ATOM 606 C GLU A 59 11.228 5.549 13.079 1.00 61.94 C ATOM 607 O GLU A 59 11.738 4.658 12.396 1.00 53.77 O ATOM 608 CB GLU A 59 11.066 5.308 15.572 1.00 85.36 C ATOM 609 CG GLU A 59 10.313 4.763 16.810 1.00 98.98 C ATOM 610 CD GLU A 59 9.245 5.705 17.345 1.00108.02 C ATOM 611 OE1 GLU A 59 9.535 6.911 17.517 1.00107.10 O ATOM 612 OE2 GLU A 59 8.117 5.228 17.604 1.00116.08 O ATOM 613 H GLU A 59 10.173 3.084 14.544 1.00 0.00 H ATOM 614 N SER A 60 11.452 6.845 12.852 1.00 62.83 N ATOM 615 CA SER A 60 12.298 7.306 11.752 1.00 62.41 C ATOM 616 C SER A 60 13.741 7.351 12.233 1.00 60.75 C ATOM 617 O SER A 60 14.023 7.912 13.295 1.00 66.52 O ATOM 618 CB SER A 60 11.872 8.689 11.255 1.00 64.54 C ATOM 619 OG SER A 60 12.211 9.693 12.208 1.00 69.90 O ATOM 620 HG SER A 60 13.190 9.692 12.353 1.00 0.00 H ATOM 621 H SER A 60 11.011 7.549 13.477 1.00 0.00 H ATOM 622 N ILE A 61 14.645 6.739 11.466 1.00 55.06 N ATOM 623 CA ILE A 61 16.053 6.647 11.821 1.00 53.45 C ATOM 624 C ILE A 61 16.886 6.958 10.591 1.00 49.31 C ATOM 625 O ILE A 61 16.437 6.822 9.449 1.00 44.98 O ATOM 626 CB ILE A 61 16.456 5.256 12.376 1.00 56.42 C ATOM 627 CG1 ILE A 61 16.276 4.170 11.310 1.00 51.06 C ATOM 628 CG2 ILE A 61 15.656 4.908 13.645 1.00 62.00 C ATOM 629 CD1 ILE A 61 16.986 2.871 11.642 1.00 53.22 C ATOM 630 H ILE A 61 14.329 6.308 10.574 1.00 0.00 H ATOM 631 N ILE A 62 18.127 7.358 10.838 1.00 53.68 N ATOM 632 CA ILE A 62 19.057 7.740 9.784 1.00 56.94 C ATOM 633 C ILE A 62 20.146 6.680 9.723 1.00 60.26 C ATOM 634 O ILE A 62 20.751 6.356 10.742 1.00 62.47 O ATOM 635 CB ILE A 62 19.634 9.144 10.046 1.00 60.90 C ATOM 636 CG1 ILE A 62 18.486 10.160 10.172 1.00 61.11 C ATOM 637 CG2 ILE A 62 20.586 9.539 8.930 1.00 61.09 C ATOM 638 CD1 ILE A 62 18.875 11.508 10.759 1.00 64.27 C ATOM 639 H ILE A 62 18.449 7.401 11.826 1.00 0.00 H ATOM 640 N VAL A 63 20.370 6.116 8.546 1.00 63.41 N ATOM 641 CA VAL A 63 21.375 5.078 8.343 1.00 68.53 C ATOM 642 C VAL A 63 22.203 5.488 7.130 1.00 75.61 C ATOM 643 O VAL A 63 21.756 5.346 5.982 1.00 71.30 O ATOM 644 CB VAL A 63 20.747 3.697 8.137 1.00 64.78 C ATOM 645 CG1 VAL A 63 21.834 2.649 8.012 1.00 69.03 C ATOM 646 CG2 VAL A 63 19.798 3.348 9.302 1.00 62.18 C ATOM 647 H VAL A 63 19.805 6.427 7.730 1.00 0.00 H ATOM 648 N GLU A 64 23.407 5.999 7.373 1.00 84.16 N ATOM 649 CA GLU A 64 24.273 6.443 6.285 1.00 88.24 C ATOM 650 C GLU A 64 25.240 5.358 5.831 1.00 89.90 C ATOM 651 O GLU A 64 25.725 5.409 4.692 1.00 85.80 O ATOM 652 CB GLU A 64 25.057 7.703 6.702 1.00 93.48 C ATOM 653 CG GLU A 64 24.189 8.952 6.886 1.00 94.66 C ATOM 654 CD GLU A 64 24.986 10.244 6.881 1.00 99.56 C ATOM 655 OE1 GLU A 64 25.413 10.683 5.792 1.00103.70 O ATOM 656 OE2 GLU A 64 25.186 10.817 7.975 1.00101.12 O ATOM 657 H GLU A 64 23.737 6.084 8.356 1.00 0.00 H ATOM 658 N SER A 65 25.505 4.367 6.682 1.00 96.17 N ATOM 659 CA SER A 65 26.400 3.277 6.323 1.00104.38 C ATOM 660 C SER A 65 25.880 2.598 5.061 1.00109.32 C ATOM 661 O SER A 65 24.816 2.956 4.544 1.00113.59 O ATOM 662 CB SER A 65 26.535 2.273 7.479 1.00104.99 C ATOM 663 OG SER A 65 25.301 1.631 7.761 1.00101.44 O ATOM 664 HG SER A 65 25.425 0.994 8.508 1.00 0.00 H ATOM 665 H SER A 65 25.063 4.373 7.623 1.00 0.00 H ATOM 666 N GLY A 66 26.625 1.617 4.551 1.00107.92 N ATOM 667 CA GLY A 66 26.235 0.987 3.306 1.00103.02 C ATOM 668 C GLY A 66 25.109 -0.007 3.457 1.00100.35 C ATOM 669 O GLY A 66 24.374 -0.257 2.498 1.00 99.60 O ATOM 670 H GLY A 66 27.485 1.305 5.046 1.00 0.00 H ATOM 671 N ASP A 67 24.953 -0.588 4.641 1.00 98.73 N ATOM 672 CA ASP A 67 23.982 -1.656 4.841 1.00 91.45 C ATOM 673 C ASP A 67 22.854 -1.184 5.745 1.00 85.00 C ATOM 674 O ASP A 67 23.020 -1.142 6.974 1.00 84.49 O ATOM 675 CB ASP A 67 24.664 -2.889 5.440 1.00 92.36 C ATOM 676 CG ASP A 67 23.674 -3.965 5.834 1.00 87.14 C ATOM 677 OD1 ASP A 67 23.238 -3.974 7.005 1.00 85.62 O ATOM 678 OD2 ASP A 67 23.328 -4.801 4.973 1.00 85.33 O ATOM 679 H ASP A 67 25.536 -0.274 5.443 1.00 0.00 H ATOM 680 N PRO A 68 21.693 -0.809 5.199 1.00 77.77 N ATOM 681 CA PRO A 68 20.505 -0.651 6.046 1.00 74.69 C ATOM 682 C PRO A 68 19.903 -2.020 6.311 1.00 78.19 C ATOM 683 O PRO A 68 19.584 -2.761 5.377 1.00 75.98 O ATOM 684 CB PRO A 68 19.580 0.224 5.196 1.00 69.85 C ATOM 685 CG PRO A 68 19.911 -0.173 3.802 1.00 69.32 C ATOM 686 CD PRO A 68 21.393 -0.510 3.787 1.00 73.40 C ATOM 687 N ASN A 69 19.771 -2.365 7.587 1.00 82.60 N ATOM 688 CA ASN A 69 19.293 -3.687 7.961 1.00 85.57 C ATOM 689 C ASN A 69 18.015 -4.009 7.188 1.00 77.41 C ATOM 690 O ASN A 69 17.222 -3.119 6.858 1.00 71.09 O ATOM 691 CB ASN A 69 19.136 -3.739 9.491 1.00 88.78 C ATOM 692 CG ASN A 69 17.693 -3.844 9.979 1.00 87.89 C ATOM 693 OD1 ASN A 69 16.886 -4.623 9.474 1.00 91.61 O ATOM 694 ND2 ASN A 69 17.386 -3.077 11.022 1.00 84.46 N ATOM 695 HD22 ASN A 69 18.097 -2.431 11.420 1.00 0.00 H ATOM 696 HD21 ASN A 69 16.435 -3.123 11.439 1.00 0.00 H ATOM 697 H ASN A 69 20.013 -1.679 8.330 1.00 0.00 H ATOM 698 N ALA A 70 17.852 -5.297 6.850 1.00 78.08 N ATOM 699 CA ALA A 70 16.888 -5.709 5.826 1.00 71.28 C ATOM 700 C ALA A 70 15.445 -5.362 6.185 1.00 61.44 C ATOM 701 O ALA A 70 14.607 -5.221 5.282 1.00 57.11 O ATOM 702 CB ALA A 70 17.019 -7.213 5.579 1.00 75.92 C ATOM 703 H ALA A 70 18.425 -6.022 7.327 1.00 0.00 H ATOM 704 N LEU A 71 15.143 -5.197 7.474 1.00 58.67 N ATOM 705 CA LEU A 71 13.788 -4.940 7.939 1.00 55.70 C ATOM 706 C LEU A 71 13.405 -3.464 7.928 1.00 54.34 C ATOM 707 O LEU A 71 12.219 -3.148 8.091 1.00 53.27 O ATOM 708 CB LEU A 71 13.622 -5.513 9.350 1.00 59.44 C ATOM 709 CG LEU A 71 13.842 -7.015 9.423 1.00 63.79 C ATOM 710 CD1 LEU A 71 13.605 -7.471 10.864 1.00 67.59 C ATOM 711 CD2 LEU A 71 12.925 -7.741 8.492 1.00 64.07 C ATOM 712 H LEU A 71 15.908 -5.254 8.176 1.00 0.00 H ATOM 713 N LEU A 72 14.359 -2.568 7.678 1.00 54.64 N ATOM 714 CA LEU A 72 14.072 -1.145 7.576 1.00 50.91 C ATOM 715 C LEU A 72 13.327 -0.847 6.295 1.00 50.84 C ATOM 716 O LEU A 72 13.617 -1.419 5.248 1.00 51.96 O ATOM 717 CB LEU A 72 15.368 -0.333 7.589 1.00 51.64 C ATOM 718 CG LEU A 72 16.296 -0.475 8.801 1.00 58.11 C ATOM 719 CD1 LEU A 72 17.549 0.377 8.624 1.00 60.93 C ATOM 720 CD2 LEU A 72 15.594 -0.083 10.070 1.00 64.98 C ATOM 721 H LEU A 72 15.338 -2.895 7.552 1.00 0.00 H ATOM 722 N LYS A 73 12.401 0.094 6.364 1.00 52.83 N ATOM 723 CA LYS A 73 11.685 0.575 5.194 1.00 52.42 C ATOM 724 C LYS A 73 12.150 1.994 4.866 1.00 42.40 C ATOM 725 O LYS A 73 12.387 2.792 5.778 1.00 40.02 O ATOM 726 CB LYS A 73 10.186 0.538 5.469 1.00 73.15 C ATOM 727 CG LYS A 73 9.324 1.119 4.379 1.00 86.91 C ATOM 728 CD LYS A 73 7.828 0.954 4.680 1.00 93.38 C ATOM 729 CE LYS A 73 7.327 1.956 5.714 1.00 95.40 C ATOM 730 NZ LYS A 73 5.843 2.004 5.744 1.00 99.00 N ATOM 731 HZ1 LYS A 73 5.488 2.287 4.809 1.00 0.00 H ATOM 732 HZ2 LYS A 73 5.472 1.063 5.987 1.00 0.00 H ATOM 733 HZ3 LYS A 73 5.534 2.695 6.457 1.00 0.00 H ATOM 734 H LYS A 73 12.176 0.506 7.292 1.00 0.00 H ATOM 735 N HIS A 74 12.281 2.302 3.574 1.00 37.59 N ATOM 736 CA HIS A 74 12.574 3.655 3.143 1.00 41.27 C ATOM 737 C HIS A 74 11.489 4.583 3.650 1.00 36.86 C ATOM 738 O HIS A 74 10.305 4.265 3.565 1.00 37.92 O ATOM 739 CB HIS A 74 12.680 3.722 1.618 1.00 46.78 C ATOM 740 CG HIS A 74 13.950 3.140 1.093 1.00 58.74 C ATOM 741 ND1 HIS A 74 15.051 3.910 0.792 1.00 63.83 N ATOM 742 CD2 HIS A 74 14.315 1.855 0.870 1.00 69.71 C ATOM 743 CE1 HIS A 74 16.029 3.128 0.373 1.00 68.71 C ATOM 744 NE2 HIS A 74 15.610 1.875 0.417 1.00 72.26 N ATOM 745 H HIS A 74 12.170 1.554 2.860 1.00 0.00 H ATOM 746 N ARG A 75 11.903 5.702 4.236 1.00 36.54 N ATOM 747 CA ARG A 75 10.939 6.627 4.821 1.00 34.12 C ATOM 748 C ARG A 75 10.123 7.330 3.740 1.00 32.14 C ATOM 749 O ARG A 75 8.929 7.584 3.929 1.00 30.71 O ATOM 750 CB ARG A 75 11.654 7.650 5.696 1.00 33.83 C ATOM 751 CG ARG A 75 10.756 8.787 6.092 1.00 33.97 C ATOM 752 CD ARG A 75 11.318 9.622 7.189 1.00 37.98 C ATOM 753 NE ARG A 75 10.494 10.806 7.360 1.00 37.51 N ATOM 754 CZ ARG A 75 10.725 11.747 8.263 1.00 37.61 C ATOM 755 NH1 ARG A 75 11.749 11.645 9.101 1.00 38.86 N ATOM 756 NH2 ARG A 75 9.903 12.782 8.337 1.00 37.71 N ATOM 757 HE ARG A 75 9.671 10.922 6.734 1.00 0.00 H ATOM 758 HH12 ARG A 75 11.920 12.390 9.806 1.00 0.00 H ATOM 759 HH11 ARG A 75 12.380 10.820 9.053 1.00 0.00 H ATOM 760 HH22 ARG A 75 10.070 13.530 9.040 1.00 0.00 H ATOM 761 HH21 ARG A 75 9.090 12.848 7.692 1.00 0.00 H ATOM 762 H ARG A 75 12.919 5.919 4.278 1.00 0.00 H ATOM 763 N PHE A 76 10.748 7.643 2.602 1.00 28.57 N ATOM 764 CA PHE A 76 10.108 8.398 1.534 1.00 30.18 C ATOM 765 C PHE A 76 9.910 7.566 0.279 1.00 30.20 C ATOM 766 O PHE A 76 10.711 6.694 -0.044 1.00 34.46 O ATOM 767 CB PHE A 76 10.944 9.618 1.150 1.00 28.21 C ATOM 768 CG PHE A 76 11.157 10.571 2.279 1.00 26.85 C ATOM 769 CD1 PHE A 76 10.246 11.578 2.530 1.00 27.82 C ATOM 770 CD2 PHE A 76 12.248 10.459 3.086 1.00 28.73 C ATOM 771 CE1 PHE A 76 10.434 12.463 3.543 1.00 29.88 C ATOM 772 CE2 PHE A 76 12.450 11.351 4.104 1.00 35.28 C ATOM 773 CZ PHE A 76 11.523 12.355 4.355 1.00 34.57 C ATOM 774 H PHE A 76 11.733 7.335 2.473 1.00 0.00 H ATOM 775 N GLU A 77 8.809 7.822 -0.391 1.00 27.62 N ATOM 776 CA GLU A 77 8.644 7.455 -1.792 1.00 31.94 C ATOM 777 C GLU A 77 9.071 8.649 -2.636 1.00 28.68 C ATOM 778 O GLU A 77 8.761 9.798 -2.298 1.00 27.54 O ATOM 779 CB GLU A 77 7.187 7.071 -2.050 1.00 34.92 C ATOM 780 CG GLU A 77 6.919 6.162 -3.249 1.00 41.06 C ATOM 781 CD GLU A 77 7.213 4.727 -2.945 1.00 42.25 C ATOM 782 OE1 GLU A 77 6.714 4.149 -1.949 1.00 42.07 O ATOM 783 OE2 GLU A 77 8.000 4.197 -3.713 1.00 44.99 O ATOM 784 H GLU A 77 8.027 8.304 0.096 1.00 0.00 H ATOM 785 N ILE A 78 9.827 8.379 -3.707 1.00 30.08 N ATOM 786 CA ILE A 78 10.260 9.410 -4.650 1.00 27.67 C ATOM 787 C ILE A 78 9.353 9.361 -5.863 1.00 26.43 C ATOM 788 O ILE A 78 9.257 8.340 -6.538 1.00 26.97 O ATOM 789 CB ILE A 78 11.722 9.243 -5.063 1.00 31.45 C ATOM 790 CG1 ILE A 78 12.578 9.274 -3.787 1.00 37.81 C ATOM 791 CG2 ILE A 78 12.117 10.399 -6.078 1.00 30.05 C ATOM 792 CD1 ILE A 78 14.041 9.008 -3.944 1.00 43.54 C ATOM 793 H ILE A 78 10.119 7.395 -3.876 1.00 0.00 H ATOM 794 N ILE A 79 8.658 10.457 -6.123 1.00 26.69 N ATOM 795 CA ILE A 79 7.753 10.539 -7.271 1.00 25.25 C ATOM 796 C ILE A 79 8.394 11.272 -8.436 1.00 26.12 C ATOM 797 O ILE A 79 8.271 10.857 -9.600 1.00 25.48 O ATOM 798 CB ILE A 79 6.457 11.218 -6.784 1.00 28.19 C ATOM 799 CG1 ILE A 79 5.771 10.295 -5.746 1.00 28.87 C ATOM 800 CG2 ILE A 79 5.458 11.383 -7.895 1.00 28.67 C ATOM 801 CD1 ILE A 79 5.024 11.058 -4.785 1.00 33.24 C ATOM 802 H ILE A 79 8.757 11.281 -5.496 1.00 0.00 H ATOM 803 N GLU A 80 9.120 12.346 -8.130 1.00 25.46 N ATOM 804 CA GLU A 80 9.916 13.057 -9.138 1.00 25.62 C ATOM 805 C GLU A 80 10.937 12.141 -9.779 1.00 26.81 C ATOM 806 O GLU A 80 11.481 11.231 -9.147 1.00 28.66 O ATOM 807 CB GLU A 80 10.633 14.248 -8.484 1.00 25.27 C ATOM 808 CG GLU A 80 11.407 15.164 -9.466 1.00 26.06 C ATOM 809 CD GLU A 80 10.500 15.737 -10.533 1.00 27.45 C ATOM 810 OE1 GLU A 80 9.740 16.661 -10.208 1.00 28.13 O ATOM 811 OE2 GLU A 80 10.546 15.253 -11.667 1.00 29.43 O ATOM 812 H GLU A 80 9.123 12.691 -7.149 1.00 0.00 H ATOM 813 N GLY A 81 11.173 12.368 -11.077 1.00 27.98 N ATOM 814 CA GLY A 81 12.091 11.587 -11.838 1.00 27.84 C ATOM 815 C GLY A 81 11.474 10.413 -12.574 1.00 30.27 C ATOM 816 O GLY A 81 12.184 9.718 -13.294 1.00 34.51 O ATOM 817 H GLY A 81 10.667 13.145 -11.549 1.00 0.00 H ATOM 818 N ARG A 82 10.201 10.148 -12.378 1.00 31.01 N ATOM 819 CA ARG A 82 9.502 9.041 -13.012 1.00 30.09 C ATOM 820 C ARG A 82 8.745 9.609 -14.198 1.00 34.02 C ATOM 821 O ARG A 82 8.269 10.741 -14.148 1.00 31.86 O ATOM 822 CB ARG A 82 8.518 8.404 -12.025 1.00 30.41 C ATOM 823 CG ARG A 82 9.181 7.761 -10.821 1.00 28.21 C ATOM 824 CD ARG A 82 8.193 7.125 -9.918 1.00 33.15 C ATOM 825 NE ARG A 82 8.838 6.671 -8.679 1.00 34.21 N ATOM 826 CZ ARG A 82 9.467 5.506 -8.525 1.00 34.40 C ATOM 827 NH1 ARG A 82 9.568 4.613 -9.513 1.00 34.33 N ATOM 828 NH2 ARG A 82 10.022 5.234 -7.369 1.00 33.71 N ATOM 829 HE ARG A 82 8.801 7.308 -7.858 1.00 0.00 H ATOM 830 HH12 ARG A 82 10.067 3.715 -9.353 1.00 0.00 H ATOM 831 HH11 ARG A 82 9.147 4.816 -10.442 1.00 0.00 H ATOM 832 HH22 ARG A 82 10.517 4.330 -7.230 1.00 0.00 H ATOM 833 HH21 ARG A 82 9.967 5.922 -6.591 1.00 0.00 H ATOM 834 H ARG A 82 9.664 10.764 -11.734 1.00 0.00 H ATOM 835 N ASP A 83 8.581 8.827 -15.248 1.00 38.27 N ATOM 836 CA ASP A 83 7.696 9.346 -16.269 1.00 43.74 C ATOM 837 C ASP A 83 6.258 9.438 -15.722 1.00 38.64 C ATOM 838 O ASP A 83 5.915 8.882 -14.679 1.00 33.65 O ATOM 839 CB ASP A 83 7.801 8.514 -17.546 1.00 49.47 C ATOM 840 CG ASP A 83 7.197 7.147 -17.418 1.00 54.29 C ATOM 841 OD1 ASP A 83 6.210 6.980 -16.675 1.00 48.73 O ATOM 842 OD2 ASP A 83 7.712 6.235 -18.083 1.00 64.46 O ATOM 843 H ASP A 83 9.053 7.905 -15.336 1.00 0.00 H ATOM 844 N ARG A 84 5.412 10.152 -16.464 1.00 38.57 N ATOM 845 CA ARG A 84 4.094 10.537 -15.960 1.00 40.71 C ATOM 846 C ARG A 84 3.251 9.317 -15.571 1.00 32.11 C ATOM 847 O ARG A 84 2.538 9.328 -14.555 1.00 35.55 O ATOM 848 CB ARG A 84 3.389 11.356 -17.035 1.00 57.68 C ATOM 849 CG ARG A 84 2.972 12.743 -16.631 1.00 75.59 C ATOM 850 CD ARG A 84 2.295 13.430 -17.817 1.00 87.60 C ATOM 851 NE ARG A 84 3.013 14.589 -18.347 1.00 85.95 N ATOM 852 CZ ARG A 84 3.732 14.612 -19.470 1.00 84.31 C ATOM 853 NH1 ARG A 84 3.888 13.531 -20.227 1.00 85.73 N ATOM 854 NH2 ARG A 84 4.314 15.738 -19.845 1.00 83.06 N ATOM 855 HE ARG A 84 2.958 15.472 -17.800 1.00 0.00 H ATOM 856 HH12 ARG A 84 4.455 13.583 -21.097 1.00 0.00 H ATOM 857 HH11 ARG A 84 3.443 12.633 -19.949 1.00 0.00 H ATOM 858 HH22 ARG A 84 4.877 15.766 -20.719 1.00 0.00 H ATOM 859 HH21 ARG A 84 4.209 16.596 -19.266 1.00 0.00 H ATOM 860 H ARG A 84 5.695 10.442 -17.422 1.00 0.00 H ATOM 861 N ILE A 85 3.288 8.279 -16.389 1.00 29.48 N ATOM 862 CA ILE A 85 2.509 7.072 -16.122 1.00 31.99 C ATOM 863 C ILE A 85 2.956 6.453 -14.801 1.00 36.62 C ATOM 864 O ILE A 85 2.139 6.119 -13.930 1.00 34.87 O ATOM 865 CB ILE A 85 2.665 6.095 -17.283 1.00 32.61 C ATOM 866 CG1 ILE A 85 1.891 6.634 -18.484 1.00 33.39 C ATOM 867 CG2 ILE A 85 2.187 4.669 -16.905 1.00 35.22 C ATOM 868 CD1 ILE A 85 2.138 5.897 -19.751 1.00 35.83 C ATOM 869 H ILE A 85 3.884 8.322 -17.240 1.00 0.00 H ATOM 870 N MET A 86 4.262 6.249 -14.656 1.00 38.22 N ATOM 871 CA MET A 86 4.752 5.593 -13.450 1.00 39.51 C ATOM 872 C MET A 86 4.529 6.480 -12.245 1.00 35.04 C ATOM 873 O MET A 86 4.159 5.990 -11.172 1.00 37.97 O ATOM 874 CB MET A 86 6.237 5.221 -13.598 1.00 38.97 C ATOM 875 CG MET A 86 6.531 4.244 -14.701 1.00 47.13 C ATOM 876 SD MET A 86 5.548 2.729 -14.610 1.00 59.62 S ATOM 877 CE MET A 86 5.920 2.198 -12.926 1.00 62.38 C ATOM 878 H MET A 86 4.927 6.554 -15.395 1.00 0.00 H ATOM 879 N ALA A 87 4.724 7.798 -12.398 1.00 30.93 N ATOM 880 CA ALA A 87 4.511 8.700 -11.283 1.00 28.38 C ATOM 881 C ALA A 87 3.082 8.641 -10.769 1.00 27.56 C ATOM 882 O ALA A 87 2.856 8.572 -9.542 1.00 28.95 O ATOM 883 CB ALA A 87 4.905 10.127 -11.657 1.00 29.91 C ATOM 884 H ALA A 87 5.029 8.174 -13.319 1.00 0.00 H ATOM 885 N TRP A 88 2.096 8.711 -11.659 1.00 29.34 N ATOM 886 CA TRP A 88 0.713 8.629 -11.172 1.00 31.42 C ATOM 887 C TRP A 88 0.396 7.239 -10.639 1.00 31.56 C ATOM 888 O TRP A 88 -0.451 7.098 -9.734 1.00 31.79 O ATOM 889 CB TRP A 88 -0.293 8.991 -12.267 1.00 30.68 C ATOM 890 CG TRP A 88 -0.363 10.481 -12.424 1.00 31.11 C ATOM 891 CD1 TRP A 88 0.085 11.229 -13.488 1.00 32.41 C ATOM 892 CD2 TRP A 88 -0.897 11.404 -11.477 1.00 28.90 C ATOM 893 NE1 TRP A 88 -0.131 12.565 -13.235 1.00 30.42 N ATOM 894 CE2 TRP A 88 -0.740 12.697 -12.016 1.00 33.02 C ATOM 895 CE3 TRP A 88 -1.481 11.264 -10.224 1.00 32.53 C ATOM 896 CZ2 TRP A 88 -1.156 13.837 -11.341 1.00 35.41 C ATOM 897 CZ3 TRP A 88 -1.895 12.402 -9.540 1.00 34.72 C ATOM 898 CH2 TRP A 88 -1.721 13.670 -10.103 1.00 34.84 C ATOM 899 HE1 TRP A 88 0.127 13.348 -13.868 1.00 0.00 H ATOM 900 H TRP A 88 2.299 8.821 -12.673 1.00 0.00 H ATOM 901 N THR A 89 0.995 6.202 -11.233 1.00 32.31 N ATOM 902 CA THR A 89 0.786 4.847 -10.725 1.00 35.03 C ATOM 903 C THR A 89 1.236 4.771 -9.262 1.00 32.87 C ATOM 904 O THR A 89 0.523 4.244 -8.401 1.00 35.48 O ATOM 905 CB THR A 89 1.556 3.842 -11.580 1.00 36.18 C ATOM 906 OG1 THR A 89 1.051 3.833 -12.932 1.00 38.03 O ATOM 907 CG2 THR A 89 1.425 2.414 -10.999 1.00 43.54 C ATOM 908 HG1 THR A 89 1.152 4.735 -13.327 1.00 0.00 H ATOM 909 H THR A 89 1.610 6.359 -12.057 1.00 0.00 H ATOM 910 N VAL A 90 2.404 5.328 -8.972 1.00 29.63 N ATOM 911 CA VAL A 90 2.917 5.346 -7.602 1.00 34.85 C ATOM 912 C VAL A 90 2.011 6.188 -6.693 1.00 35.96 C ATOM 913 O VAL A 90 1.725 5.812 -5.545 1.00 35.35 O ATOM 914 CB VAL A 90 4.373 5.852 -7.584 1.00 33.20 C ATOM 915 CG1 VAL A 90 4.824 6.097 -6.134 1.00 35.43 C ATOM 916 CG2 VAL A 90 5.318 4.835 -8.267 1.00 32.45 C ATOM 917 H VAL A 90 2.966 5.760 -9.733 1.00 0.00 H ATOM 918 N VAL A 91 1.595 7.362 -7.163 1.00 34.65 N ATOM 919 CA VAL A 91 0.727 8.203 -6.359 1.00 32.30 C ATOM 920 C VAL A 91 -0.565 7.473 -6.032 1.00 32.12 C ATOM 921 O VAL A 91 -1.030 7.490 -4.878 1.00 35.38 O ATOM 922 CB VAL A 91 0.479 9.553 -7.055 1.00 29.97 C ATOM 923 CG1 VAL A 91 -0.716 10.266 -6.433 1.00 33.52 C ATOM 924 CG2 VAL A 91 1.704 10.425 -6.940 1.00 27.00 C ATOM 925 H VAL A 91 1.893 7.677 -8.108 1.00 0.00 H ATOM 926 N ASN A 92 -1.159 6.798 -7.027 1.00 32.82 N ATOM 927 CA ASN A 92 -2.338 5.977 -6.777 1.00 39.41 C ATOM 928 C ASN A 92 -2.059 4.876 -5.766 1.00 37.08 C ATOM 929 O ASN A 92 -2.896 4.587 -4.915 1.00 40.70 O ATOM 930 CB ASN A 92 -2.832 5.331 -8.078 1.00 49.92 C ATOM 931 CG ASN A 92 -3.555 6.292 -8.977 1.00 51.15 C ATOM 932 OD1 ASN A 92 -3.953 7.356 -8.545 1.00 48.78 O ATOM 933 ND2 ASN A 92 -3.742 5.909 -10.245 1.00 53.02 N ATOM 934 HD22 ASN A 92 -3.383 4.988 -10.568 1.00 0.00 H ATOM 935 HD21 ASN A 92 -4.247 6.532 -10.907 1.00 0.00 H ATOM 936 H ASN A 92 -0.773 6.861 -7.991 1.00 0.00 H ATOM 937 N SER A 93 -0.932 4.188 -5.898 1.00 39.55 N ATOM 938 CA SER A 93 -0.653 3.108 -4.956 1.00 46.10 C ATOM 939 C SER A 93 -0.528 3.654 -3.530 1.00 44.54 C ATOM 940 O SER A 93 -1.057 3.064 -2.583 1.00 46.32 O ATOM 941 CB SER A 93 0.616 2.367 -5.359 1.00 50.28 C ATOM 942 OG SER A 93 0.883 1.320 -4.432 1.00 58.22 O ATOM 943 HG SER A 93 1.708 0.845 -4.702 1.00 0.00 H ATOM 944 H SER A 93 -0.260 4.414 -6.659 1.00 0.00 H ATOM 945 N ILE A 94 0.161 4.780 -3.365 1.00 39.81 N ATOM 946 CA ILE A 94 0.309 5.392 -2.042 1.00 40.36 C ATOM 947 C ILE A 94 -1.044 5.700 -1.449 1.00 39.29 C ATOM 948 O ILE A 94 -1.346 5.335 -0.302 1.00 42.50 O ATOM 949 CB ILE A 94 1.152 6.659 -2.129 1.00 36.08 C ATOM 950 CG1 ILE A 94 2.592 6.276 -2.394 1.00 32.84 C ATOM 951 CG2 ILE A 94 0.990 7.477 -0.824 1.00 38.46 C ATOM 952 CD1 ILE A 94 3.413 7.435 -2.906 1.00 33.19 C ATOM 953 H ILE A 94 0.603 5.234 -4.190 1.00 0.00 H ATOM 954 N CYS A 95 -1.865 6.409 -2.212 1.00 37.52 N ATOM 955 CA CYS A 95 -3.172 6.803 -1.723 1.00 42.23 C ATOM 956 C CYS A 95 -4.012 5.591 -1.342 1.00 50.62 C ATOM 957 O CYS A 95 -4.841 5.675 -0.417 1.00 58.42 O ATOM 958 CB CYS A 95 -3.903 7.628 -2.786 1.00 44.29 C ATOM 959 SG CYS A 95 -3.188 9.227 -3.206 1.00 47.11 S ATOM 960 H CYS A 95 -1.569 6.685 -3.170 1.00 0.00 H ATOM 961 N ASN A 96 -3.817 4.449 -2.013 1.00 51.24 N ATOM 962 CA ASN A 96 -4.579 3.258 -1.611 1.00 60.24 C ATOM 963 C ASN A 96 -3.989 2.655 -0.339 1.00 62.71 C ATOM 964 O ASN A 96 -4.710 2.333 0.607 1.00 66.43 O ATOM 965 CB ASN A 96 -4.608 2.222 -2.741 1.00 73.16 C ATOM 966 CG ASN A 96 -5.416 2.682 -3.936 1.00 92.06 C ATOM 967 OD1 ASN A 96 -6.225 3.607 -3.840 1.00106.07 O ATOM 968 ND2 ASN A 96 -5.205 2.028 -5.075 1.00 93.37 N ATOM 969 HD22 ASN A 96 -4.512 1.253 -5.109 1.00 0.00 H ATOM 970 HD21 ASN A 96 -5.733 2.291 -5.931 1.00 0.00 H ATOM 971 H ASN A 96 -3.141 4.405 -2.802 1.00 0.00 H ATOM 972 N THR A 97 -2.667 2.524 -0.287 1.00 62.17 N ATOM 973 CA THR A 97 -2.029 1.989 0.906 1.00 68.53 C ATOM 974 C THR A 97 -2.351 2.828 2.138 1.00 66.03 C ATOM 975 O THR A 97 -2.656 2.281 3.205 1.00 69.51 O ATOM 976 CB THR A 97 -0.519 1.927 0.705 1.00 72.00 C ATOM 977 OG1 THR A 97 -0.225 1.131 -0.446 1.00 82.83 O ATOM 978 CG2 THR A 97 0.162 1.342 1.963 1.00 67.48 C ATOM 979 HG1 THR A 97 -0.649 1.537 -1.243 1.00 0.00 H ATOM 980 H THR A 97 -2.086 2.805 -1.103 1.00 0.00 H ATOM 981 N THR A 98 -2.239 4.162 2.026 1.00 58.21 N ATOM 982 CA THR A 98 -2.312 5.020 3.209 1.00 53.86 C ATOM 983 C THR A 98 -3.661 5.698 3.397 1.00 56.09 C ATOM 984 O THR A 98 -3.965 6.111 4.525 1.00 58.85 O ATOM 985 CB THR A 98 -1.263 6.137 3.168 1.00 47.63 C ATOM 986 OG1 THR A 98 -1.661 7.098 2.192 1.00 47.13 O ATOM 987 CG2 THR A 98 0.141 5.600 2.860 1.00 43.41 C ATOM 988 HG1 THR A 98 -1.724 6.660 1.306 1.00 0.00 H ATOM 989 H THR A 98 -2.099 4.590 1.088 1.00 0.00 H ATOM 990 N GLY A 99 -4.477 5.815 2.345 1.00 50.00 N ATOM 991 CA GLY A 99 -5.714 6.570 2.436 1.00 51.21 C ATOM 992 C GLY A 99 -5.574 8.075 2.299 1.00 51.77 C ATOM 993 O GLY A 99 -6.599 8.770 2.307 1.00 57.53 O ATOM 994 H GLY A 99 -4.222 5.358 1.446 1.00 0.00 H ATOM 995 N VAL A 100 -4.349 8.608 2.185 1.00 50.80 N ATOM 996 CA VAL A 100 -4.169 10.040 1.953 1.00 53.64 C ATOM 997 C VAL A 100 -4.852 10.445 0.645 1.00 51.50 C ATOM 998 O VAL A 100 -4.914 9.663 -0.320 1.00 49.66 O ATOM 999 CB VAL A 100 -2.673 10.388 1.912 1.00 55.20 C ATOM 1000 CG1 VAL A 100 -2.457 11.869 1.603 1.00 57.57 C ATOM 1001 CG2 VAL A 100 -2.013 10.048 3.243 1.00 55.26 C ATOM 1002 H VAL A 100 -3.514 7.993 2.263 1.00 0.00 H ATOM 1003 N GLU A 101 -5.359 11.677 0.598 1.00 55.11 N ATOM 1004 CA GLU A 101 -6.091 12.055 -0.596 1.00 61.32 C ATOM 1005 C GLU A 101 -5.126 12.337 -1.743 1.00 54.35 C ATOM 1006 O GLU A 101 -3.962 12.695 -1.552 1.00 46.70 O ATOM 1007 CB GLU A 101 -7.002 13.258 -0.344 1.00 72.32 C ATOM 1008 CG GLU A 101 -6.307 14.583 -0.223 1.00 72.05 C ATOM 1009 CD GLU A 101 -7.276 15.755 -0.140 1.00 73.29 C ATOM 1010 OE1 GLU A 101 -8.499 15.523 -0.007 1.00 72.39 O ATOM 1011 OE2 GLU A 101 -6.805 16.913 -0.212 1.00 77.19 O ATOM 1012 H GLU A 101 -5.234 12.342 1.388 1.00 0.00 H ATOM 1013 N LYS A 102 -5.640 12.185 -2.930 1.00 59.04 N ATOM 1014 CA LYS A 102 -4.861 12.221 -4.155 1.00 54.44 C ATOM 1015 C LYS A 102 -4.590 13.666 -4.558 1.00 46.71 C ATOM 1016 O LYS A 102 -5.525 14.462 -4.659 1.00 47.92 O ATOM 1017 CB LYS A 102 -5.638 11.506 -5.257 1.00 60.87 C ATOM 1018 CG LYS A 102 -4.902 11.212 -6.557 1.00 64.34 C ATOM 1019 CD LYS A 102 -5.834 10.386 -7.449 1.00 73.57 C ATOM 1020 CE LYS A 102 -5.196 9.893 -8.752 1.00 77.39 C ATOM 1021 NZ LYS A 102 -5.385 10.791 -9.941 1.00 81.15 N ATOM 1022 HZ1 LYS A 102 -6.401 10.901 -10.133 1.00 0.00 H ATOM 1023 HZ2 LYS A 102 -4.966 11.722 -9.741 1.00 0.00 H ATOM 1024 HZ3 LYS A 102 -4.918 10.370 -10.769 1.00 0.00 H ATOM 1025 H LYS A 102 -6.666 12.029 -3.005 1.00 0.00 H ATOM 1026 N PRO A 103 -3.355 14.029 -4.842 1.00 41.46 N ATOM 1027 CA PRO A 103 -3.061 15.411 -5.229 1.00 42.26 C ATOM 1028 C PRO A 103 -3.478 15.716 -6.660 1.00 45.16 C ATOM 1029 O PRO A 103 -3.729 14.828 -7.476 1.00 45.68 O ATOM 1030 CB PRO A 103 -1.542 15.507 -5.061 1.00 39.56 C ATOM 1031 CG PRO A 103 -1.069 14.153 -5.194 1.00 39.00 C ATOM 1032 CD PRO A 103 -2.135 13.218 -4.732 1.00 39.46 C ATOM 1033 N LYS A 104 -3.559 17.015 -6.950 1.00 50.30 N ATOM 1034 CA LYS A 104 -4.006 17.475 -8.258 1.00 58.41 C ATOM 1035 C LYS A 104 -2.869 17.480 -9.270 1.00 49.41 C ATOM 1036 O LYS A 104 -3.098 17.243 -10.462 1.00 51.52 O ATOM 1037 CB LYS A 104 -4.617 18.871 -8.124 1.00 74.58 C ATOM 1038 CG LYS A 104 -5.960 18.878 -7.365 1.00 85.21 C ATOM 1039 CD LYS A 104 -5.966 18.049 -6.037 1.00 84.02 C ATOM 1040 CE LYS A 104 -7.316 18.035 -5.332 1.00 87.02 C ATOM 1041 NZ LYS A 104 -7.330 17.178 -4.121 1.00 85.79 N ATOM 1042 HZ1 LYS A 104 -7.103 16.199 -4.388 1.00 0.00 H ATOM 1043 HZ2 LYS A 104 -6.623 17.527 -3.443 1.00 0.00 H ATOM 1044 HZ3 LYS A 104 -8.274 17.210 -3.686 1.00 0.00 H ATOM 1045 H LYS A 104 -3.297 17.715 -6.227 1.00 0.00 H ATOM 1046 N PHE A 105 -1.659 17.758 -8.806 1.00 44.27 N ATOM 1047 CA PHE A 105 -0.441 17.735 -9.599 1.00 43.26 C ATOM 1048 C PHE A 105 0.514 16.757 -8.944 1.00 36.89 C ATOM 1049 O PHE A 105 0.480 16.566 -7.730 1.00 36.84 O ATOM 1050 CB PHE A 105 0.229 19.109 -9.661 1.00 50.51 C ATOM 1051 CG PHE A 105 -0.577 20.145 -10.387 1.00 65.80 C ATOM 1052 CD1 PHE A 105 -0.691 20.112 -11.773 1.00 73.07 C ATOM 1053 CD2 PHE A 105 -1.218 21.156 -9.690 1.00 73.29 C ATOM 1054 CE1 PHE A 105 -1.443 21.071 -12.450 1.00 78.76 C ATOM 1055 CE2 PHE A 105 -1.966 22.114 -10.362 1.00 80.05 C ATOM 1056 CZ PHE A 105 -2.075 22.068 -11.738 1.00 81.67 C ATOM 1057 H PHE A 105 -1.575 18.011 -7.801 1.00 0.00 H ATOM 1058 N LEU A 106 1.369 16.152 -9.745 1.00 35.90 N ATOM 1059 CA LEU A 106 2.395 15.291 -9.181 1.00 29.36 C ATOM 1060 C LEU A 106 3.238 16.042 -8.189 1.00 31.27 C ATOM 1061 O LEU A 106 3.884 17.036 -8.559 1.00 33.08 O ATOM 1062 CB LEU A 106 3.312 14.718 -10.270 1.00 28.04 C ATOM 1063 CG LEU A 106 2.623 13.695 -11.142 1.00 32.58 C ATOM 1064 CD1 LEU A 106 3.505 13.414 -12.345 1.00 36.37 C ATOM 1065 CD2 LEU A 106 2.293 12.393 -10.370 1.00 32.43 C ATOM 1066 H LEU A 106 1.310 16.290 -10.774 1.00 0.00 H ATOM 1067 N PRO A 107 3.306 15.588 -6.962 1.00 29.51 N ATOM 1068 CA PRO A 107 4.306 16.077 -6.023 1.00 30.94 C ATOM 1069 C PRO A 107 5.642 15.385 -6.212 1.00 25.71 C ATOM 1070 O PRO A 107 5.798 14.604 -7.143 1.00 25.95 O ATOM 1071 CB PRO A 107 3.685 15.745 -4.671 1.00 32.26 C ATOM 1072 CG PRO A 107 2.863 14.539 -4.943 1.00 32.58 C ATOM 1073 CD PRO A 107 2.481 14.519 -6.378 1.00 30.94 C ATOM 1074 N ASP A 108 6.607 15.692 -5.362 1.00 25.27 N ATOM 1075 CA ASP A 108 7.961 15.161 -5.488 1.00 25.34 C ATOM 1076 C ASP A 108 8.248 13.939 -4.625 1.00 24.65 C ATOM 1077 O ASP A 108 8.949 13.032 -5.072 1.00 26.01 O ATOM 1078 CB ASP A 108 8.948 16.244 -5.117 1.00 23.11 C ATOM 1079 CG ASP A 108 8.941 17.356 -6.115 1.00 26.04 C ATOM 1080 OD1 ASP A 108 8.946 16.989 -7.284 1.00 22.77 O ATOM 1081 OD2 ASP A 108 8.868 18.538 -5.751 1.00 27.16 O ATOM 1082 H ASP A 108 6.393 16.336 -4.574 1.00 0.00 H ATOM 1083 N LEU A 109 7.701 13.894 -3.420 1.00 24.80 N ATOM 1084 CA LEU A 109 7.963 12.828 -2.455 1.00 26.68 C ATOM 1085 C LEU A 109 6.694 12.510 -1.699 1.00 24.13 C ATOM 1086 O LEU A 109 5.780 13.330 -1.631 1.00 26.89 O ATOM 1087 CB LEU A 109 9.005 13.244 -1.414 1.00 26.06 C ATOM 1088 CG LEU A 109 10.349 13.748 -1.894 1.00 26.91 C ATOM 1089 CD1 LEU A 109 11.107 14.377 -0.665 1.00 30.50 C ATOM 1090 CD2 LEU A 109 11.071 12.590 -2.463 1.00 27.60 C ATOM 1091 H LEU A 109 7.050 14.658 -3.146 1.00 0.00 H ATOM 1092 N TYR A 110 6.643 11.318 -1.117 1.00 23.88 N ATOM 1093 CA TYR A 110 5.692 11.000 -0.069 1.00 27.32 C ATOM 1094 C TYR A 110 6.459 10.566 1.175 1.00 27.60 C ATOM 1095 O TYR A 110 7.386 9.747 1.091 1.00 29.56 O ATOM 1096 CB TYR A 110 4.717 9.891 -0.480 1.00 27.10 C ATOM 1097 CG TYR A 110 3.673 9.650 0.558 1.00 28.59 C ATOM 1098 CD1 TYR A 110 2.574 10.485 0.655 1.00 29.26 C ATOM 1099 CD2 TYR A 110 3.779 8.591 1.471 1.00 29.70 C ATOM 1100 CE1 TYR A 110 1.595 10.253 1.619 1.00 29.53 C ATOM 1101 CE2 TYR A 110 2.794 8.366 2.457 1.00 30.89 C ATOM 1102 CZ TYR A 110 1.724 9.213 2.526 1.00 31.56 C ATOM 1103 OH TYR A 110 0.730 9.008 3.463 1.00 35.92 O ATOM 1104 HH TYR A 110 0.319 8.119 3.317 1.00 0.00 H ATOM 1105 H TYR A 110 7.311 10.583 -1.425 1.00 0.00 H ATOM 1106 N ASP A 111 6.067 11.130 2.314 1.00 27.70 N ATOM 1107 CA ASP A 111 6.689 10.907 3.625 1.00 29.23 C ATOM 1108 C ASP A 111 5.846 9.879 4.374 1.00 28.46 C ATOM 1109 O ASP A 111 4.737 10.197 4.805 1.00 32.56 O ATOM 1110 CB ASP A 111 6.733 12.239 4.386 1.00 27.63 C ATOM 1111 CG ASP A 111 7.560 12.186 5.626 1.00 31.55 C ATOM 1112 OD1 ASP A 111 7.773 11.066 6.156 1.00 30.63 O ATOM 1113 OD2 ASP A 111 7.984 13.284 6.107 1.00 32.27 O ATOM 1114 H ASP A 111 5.256 11.780 2.273 1.00 0.00 H ATOM 1115 N TYR A 112 6.361 8.652 4.559 1.00 28.21 N ATOM 1116 CA TYR A 112 5.560 7.658 5.268 1.00 33.71 C ATOM 1117 C TYR A 112 5.488 7.932 6.771 1.00 34.20 C ATOM 1118 O TYR A 112 4.602 7.414 7.420 1.00 38.25 O ATOM 1119 CB TYR A 112 6.098 6.243 5.045 1.00 36.00 C ATOM 1120 CG TYR A 112 5.709 5.696 3.685 1.00 35.18 C ATOM 1121 CD1 TYR A 112 4.403 5.384 3.411 1.00 36.14 C ATOM 1122 CD2 TYR A 112 6.655 5.509 2.704 1.00 32.59 C ATOM 1123 CE1 TYR A 112 4.036 4.906 2.156 1.00 38.52 C ATOM 1124 CE2 TYR A 112 6.315 5.031 1.454 1.00 34.83 C ATOM 1125 CZ TYR A 112 4.995 4.721 1.194 1.00 37.15 C ATOM 1126 OH TYR A 112 4.626 4.257 -0.044 1.00 39.67 O ATOM 1127 HH TYR A 112 4.851 4.935 -0.730 1.00 0.00 H ATOM 1128 H TYR A 112 7.310 8.415 4.205 1.00 0.00 H ATOM 1129 N LYS A 113 6.390 8.732 7.332 1.00 34.26 N ATOM 1130 CA LYS A 113 6.305 9.022 8.765 1.00 34.38 C ATOM 1131 C LYS A 113 5.254 10.087 9.027 1.00 35.76 C ATOM 1132 O LYS A 113 4.394 9.911 9.887 1.00 39.27 O ATOM 1133 CB LYS A 113 7.654 9.507 9.319 1.00 33.46 C ATOM 1134 CG LYS A 113 7.653 9.840 10.867 1.00 43.03 C ATOM 1135 CD LYS A 113 8.843 10.769 11.194 1.00 48.31 C ATOM 1136 CE LYS A 113 8.947 11.182 12.679 1.00 58.74 C ATOM 1137 NZ LYS A 113 10.030 12.262 12.820 1.00 61.90 N ATOM 1138 HZ1 LYS A 113 10.942 11.881 12.496 1.00 0.00 H ATOM 1139 HZ2 LYS A 113 9.772 13.087 12.242 1.00 0.00 H ATOM 1140 HZ3 LYS A 113 10.107 12.546 13.817 1.00 0.00 H ATOM 1141 H LYS A 113 7.150 9.149 6.757 1.00 0.00 H ATOM 1142 N GLU A 114 5.345 11.214 8.316 1.00 37.80 N ATOM 1143 CA GLU A 114 4.419 12.321 8.490 1.00 39.02 C ATOM 1144 C GLU A 114 3.129 12.126 7.708 1.00 38.94 C ATOM 1145 O GLU A 114 2.201 12.925 7.884 1.00 39.06 O ATOM 1146 CB GLU A 114 5.053 13.641 8.042 1.00 36.28 C ATOM 1147 CG GLU A 114 6.316 14.097 8.808 1.00 37.00 C ATOM 1148 CD GLU A 114 6.008 14.792 10.100 1.00 45.53 C ATOM 1149 OE1 GLU A 114 4.814 14.905 10.456 1.00 47.34 O ATOM 1150 OE2 GLU A 114 6.981 15.219 10.782 1.00 48.80 O ATOM 1151 H GLU A 114 6.106 11.303 7.613 1.00 0.00 H ATOM 1152 N ASN A 115 3.064 11.103 6.850 1.00 38.51 N ATOM 1153 CA ASN A 115 1.849 10.763 6.100 1.00 38.99 C ATOM 1154 C ASN A 115 1.373 11.932 5.246 1.00 34.08 C ATOM 1155 O ASN A 115 0.245 12.398 5.359 1.00 38.08 O ATOM 1156 CB ASN A 115 0.730 10.319 7.053 1.00 49.73 C ATOM 1157 CG ASN A 115 1.186 9.256 8.034 1.00 63.19 C ATOM 1158 OD1 ASN A 115 1.137 9.448 9.267 1.00 73.45 O ATOM 1159 ND2 ASN A 115 1.616 8.121 7.500 1.00 64.60 N ATOM 1160 HD22 ASN A 115 1.638 8.008 6.466 1.00 0.00 H ATOM 1161 HD21 ASN A 115 1.931 7.344 8.115 1.00 0.00 H ATOM 1162 H ASN A 115 3.914 10.521 6.707 1.00 0.00 H ATOM 1163 N ARG A 116 2.248 12.398 4.376 1.00 33.46 N ATOM 1164 CA ARG A 116 1.881 13.510 3.518 1.00 33.71 C ATOM 1165 C ARG A 116 2.799 13.536 2.301 1.00 31.13 C ATOM 1166 O ARG A 116 3.952 13.102 2.366 1.00 28.90 O ATOM 1167 CB ARG A 116 1.949 14.834 4.321 1.00 35.71 C ATOM 1168 CG ARG A 116 3.357 15.256 4.724 1.00 33.95 C ATOM 1169 CD ARG A 116 3.281 16.286 5.850 1.00 37.48 C ATOM 1170 NE ARG A 116 4.615 16.682 6.329 1.00 35.69 N ATOM 1171 CZ ARG A 116 4.827 17.441 7.398 1.00 35.88 C ATOM 1172 NH1 ARG A 116 3.801 17.879 8.090 1.00 36.48 N ATOM 1173 NH2 ARG A 116 6.080 17.763 7.766 1.00 35.22 N ATOM 1174 HE ARG A 116 5.443 16.347 5.797 1.00 0.00 H ATOM 1175 HH12 ARG A 116 3.955 18.474 8.929 1.00 0.00 H ATOM 1176 HH11 ARG A 116 2.834 17.631 7.799 1.00 0.00 H ATOM 1177 HH22 ARG A 116 6.239 18.358 8.604 1.00 0.00 H ATOM 1178 HH21 ARG A 116 6.890 17.417 7.212 1.00 0.00 H ATOM 1179 H ARG A 116 3.194 11.972 4.305 1.00 0.00 H ATOM 1180 N PHE A 117 2.276 14.037 1.186 1.00 29.22 N ATOM 1181 CA PHE A 117 3.118 14.348 0.028 1.00 27.54 C ATOM 1182 C PHE A 117 3.890 15.638 0.282 1.00 29.62 C ATOM 1183 O PHE A 117 3.480 16.501 1.088 1.00 30.64 O ATOM 1184 CB PHE A 117 2.298 14.493 -1.248 1.00 27.06 C ATOM 1185 CG PHE A 117 1.628 13.226 -1.688 1.00 26.16 C ATOM 1186 CD1 PHE A 117 2.340 12.268 -2.370 1.00 26.00 C ATOM 1187 CD2 PHE A 117 0.304 12.998 -1.409 1.00 28.33 C ATOM 1188 CE1 PHE A 117 1.732 11.071 -2.748 1.00 26.25 C ATOM 1189 CE2 PHE A 117 -0.308 11.809 -1.797 1.00 31.63 C ATOM 1190 CZ PHE A 117 0.415 10.856 -2.470 1.00 28.76 C ATOM 1191 H PHE A 117 1.252 14.211 1.135 1.00 0.00 H ATOM 1192 N ILE A 118 5.045 15.741 -0.378 1.00 29.83 N ATOM 1193 CA ILE A 118 5.938 16.900 -0.264 1.00 28.91 C ATOM 1194 C ILE A 118 6.197 17.448 -1.656 1.00 29.62 C ATOM 1195 O ILE A 118 6.500 16.678 -2.566 1.00 25.57 O ATOM 1196 CB ILE A 118 7.289 16.540 0.356 1.00 28.55 C ATOM 1197 CG1 ILE A 118 7.109 15.954 1.757 1.00 30.15 C ATOM 1198 CG2 ILE A 118 8.228 17.804 0.368 1.00 30.64 C ATOM 1199 CD1 ILE A 118 8.369 15.288 2.349 1.00 29.95 C ATOM 1200 H ILE A 118 5.327 14.960 -1.005 1.00 0.00 H ATOM 1201 N GLU A 119 6.082 18.768 -1.815 1.00 29.88 N ATOM 1202 CA GLU A 119 6.556 19.477 -2.998 1.00 29.00 C ATOM 1203 C GLU A 119 7.873 20.160 -2.643 1.00 28.68 C ATOM 1204 O GLU A 119 7.936 20.960 -1.691 1.00 28.83 O ATOM 1205 CB GLU A 119 5.535 20.505 -3.502 1.00 30.22 C ATOM 1206 CG GLU A 119 6.031 21.352 -4.716 1.00 32.47 C ATOM 1207 CD GLU A 119 6.474 20.510 -5.879 1.00 33.31 C ATOM 1208 OE1 GLU A 119 5.860 19.429 -6.090 1.00 33.84 O ATOM 1209 OE2 GLU A 119 7.441 20.924 -6.588 1.00 33.85 O ATOM 1210 H GLU A 119 5.631 19.319 -1.057 1.00 0.00 H ATOM 1211 N ILE A 120 8.927 19.779 -3.347 1.00 24.59 N ATOM 1212 CA ILE A 120 10.252 20.375 -3.176 1.00 27.82 C ATOM 1213 C ILE A 120 10.406 21.503 -4.164 1.00 29.30 C ATOM 1214 O ILE A 120 10.110 21.336 -5.365 1.00 30.70 O ATOM 1215 CB ILE A 120 11.358 19.337 -3.416 1.00 28.58 C ATOM 1216 CG1 ILE A 120 11.305 18.224 -2.376 1.00 28.50 C ATOM 1217 CG2 ILE A 120 12.759 19.999 -3.488 1.00 27.71 C ATOM 1218 CD1 ILE A 120 11.661 18.629 -0.966 1.00 29.97 C ATOM 1219 H ILE A 120 8.808 19.024 -4.052 1.00 0.00 H ATOM 1220 N GLY A 121 10.945 22.625 -3.701 1.00 29.70 N ATOM 1221 CA GLY A 121 11.334 23.701 -4.606 1.00 30.66 C ATOM 1222 C GLY A 121 12.767 24.109 -4.365 1.00 28.86 C ATOM 1223 O GLY A 121 13.225 24.131 -3.238 1.00 29.79 O ATOM 1224 H GLY A 121 11.092 22.738 -2.678 1.00 0.00 H ATOM 1225 N VAL A 122 13.464 24.459 -5.444 1.00 30.96 N ATOM 1226 CA VAL A 122 14.808 25.035 -5.355 1.00 29.56 C ATOM 1227 C VAL A 122 14.805 26.299 -6.177 1.00 33.50 C ATOM 1228 O VAL A 122 14.494 26.263 -7.378 1.00 36.13 O ATOM 1229 CB VAL A 122 15.926 24.101 -5.847 1.00 29.02 C ATOM 1230 CG1 VAL A 122 17.305 24.778 -5.665 1.00 32.09 C ATOM 1231 CG2 VAL A 122 15.874 22.757 -5.157 1.00 30.56 C ATOM 1232 H VAL A 122 13.039 24.319 -6.383 1.00 0.00 H ATOM 1233 N THR A 123 15.191 27.414 -5.567 1.00 33.45 N ATOM 1234 CA THR A 123 15.122 28.682 -6.273 1.00 36.55 C ATOM 1235 C THR A 123 16.390 29.502 -6.125 1.00 40.05 C ATOM 1236 O THR A 123 17.103 29.414 -5.116 1.00 43.18 O ATOM 1237 CB THR A 123 13.919 29.483 -5.787 1.00 37.72 C ATOM 1238 OG1 THR A 123 13.818 30.694 -6.546 1.00 42.26 O ATOM 1239 CG2 THR A 123 14.036 29.783 -4.319 1.00 38.27 C ATOM 1240 HG1 THR A 123 13.704 30.473 -7.504 1.00 0.00 H ATOM 1241 H THR A 123 15.541 27.380 -4.588 1.00 0.00 H ATOM 1242 N ARG A 124 16.614 30.342 -7.147 1.00 40.94 N ATOM 1243 CA ARG A 124 17.634 31.369 -7.197 1.00 45.59 C ATOM 1244 C ARG A 124 17.090 32.743 -6.823 1.00 50.41 C ATOM 1245 O ARG A 124 17.866 33.689 -6.727 1.00 53.65 O ATOM 1246 CB ARG A 124 18.253 31.438 -8.612 1.00 51.59 C ATOM 1247 CG ARG A 124 18.972 30.159 -9.071 1.00 55.07 C ATOM 1248 CD ARG A 124 18.076 29.172 -9.856 1.00 54.89 C ATOM 1249 NE ARG A 124 18.082 29.446 -11.299 1.00 53.77 N ATOM 1250 CZ ARG A 124 17.293 28.848 -12.197 1.00 49.41 C ATOM 1251 NH1 ARG A 124 16.406 27.935 -11.826 1.00 47.71 N ATOM 1252 NH2 ARG A 124 17.392 29.166 -13.476 1.00 51.01 N ATOM 1253 HE ARG A 124 18.752 30.160 -11.649 1.00 0.00 H ATOM 1254 HH12 ARG A 124 15.800 27.479 -12.538 1.00 0.00 H ATOM 1255 HH11 ARG A 124 16.316 27.674 -10.823 1.00 0.00 H ATOM 1256 HH22 ARG A 124 16.779 28.702 -14.176 1.00 0.00 H ATOM 1257 HH21 ARG A 124 18.083 29.880 -13.782 1.00 0.00 H ATOM 1258 H ARG A 124 15.999 30.247 -7.980 1.00 0.00 H ATOM 1259 N ARG A 125 15.781 32.870 -6.614 1.00 55.13 N ATOM 1260 CA ARG A 125 15.128 34.108 -6.196 1.00 60.55 C ATOM 1261 C ARG A 125 14.827 34.035 -4.701 1.00 59.50 C ATOM 1262 O ARG A 125 15.344 33.164 -3.994 1.00 57.83 O ATOM 1263 CB ARG A 125 13.846 34.328 -6.996 1.00 66.10 C ATOM 1264 CG ARG A 125 14.022 34.242 -8.488 1.00 77.09 C ATOM 1265 CD ARG A 125 12.673 34.318 -9.192 1.00 85.34 C ATOM 1266 NE ARG A 125 11.890 33.083 -9.075 1.00 82.71 N ATOM 1267 CZ ARG A 125 10.560 33.020 -9.153 1.00 80.42 C ATOM 1268 NH1 ARG A 125 9.841 34.128 -9.316 1.00 85.23 N ATOM 1269 NH2 ARG A 125 9.942 31.844 -9.055 1.00 73.50 N ATOM 1270 HE ARG A 125 12.408 32.195 -8.920 1.00 0.00 H ATOM 1271 HH12 ARG A 125 8.804 34.071 -9.376 1.00 0.00 H ATOM 1272 HH11 ARG A 125 10.316 35.051 -9.383 1.00 0.00 H ATOM 1273 HH22 ARG A 125 8.905 31.795 -9.116 1.00 0.00 H ATOM 1274 HH21 ARG A 125 10.497 30.975 -8.918 1.00 0.00 H ATOM 1275 H ARG A 125 15.183 32.031 -6.758 1.00 0.00 H ATOM 1276 N GLU A 126 13.975 34.943 -4.223 1.00 66.04 N ATOM 1277 CA GLU A 126 13.583 34.946 -2.818 1.00 73.44 C ATOM 1278 C GLU A 126 12.657 33.775 -2.534 1.00 64.14 C ATOM 1279 O GLU A 126 11.737 33.495 -3.309 1.00 60.69 O ATOM 1280 CB GLU A 126 12.869 36.251 -2.448 1.00 89.15 C ATOM 1281 CG GLU A 126 13.774 37.425 -2.060 1.00 98.23 C ATOM 1282 CD GLU A 126 14.489 37.178 -0.742 1.00 98.16 C ATOM 1283 OE1 GLU A 126 14.275 36.078 -0.168 1.00 94.79 O ATOM 1284 OE2 GLU A 126 15.239 38.079 -0.284 1.00101.15 O ATOM 1285 H GLU A 126 13.583 35.662 -4.864 1.00 0.00 H ATOM 1286 N VAL A 127 12.883 33.112 -1.398 1.00 62.77 N ATOM 1287 CA VAL A 127 12.132 31.901 -1.101 1.00 61.08 C ATOM 1288 C VAL A 127 10.668 32.221 -0.862 1.00 60.16 C ATOM 1289 O VAL A 127 9.788 31.440 -1.244 1.00 51.66 O ATOM 1290 CB VAL A 127 12.738 31.142 0.094 1.00 69.83 C ATOM 1291 CG1 VAL A 127 14.111 30.644 -0.255 1.00 73.31 C ATOM 1292 CG2 VAL A 127 12.779 32.002 1.327 1.00 73.56 C ATOM 1293 H VAL A 127 13.595 33.460 -0.725 1.00 0.00 H ATOM 1294 N HIS A 128 10.372 33.362 -0.228 1.00 66.41 N ATOM 1295 CA HIS A 128 8.985 33.635 0.135 1.00 67.13 C ATOM 1296 C HIS A 128 8.140 33.847 -1.105 1.00 60.75 C ATOM 1297 O HIS A 128 7.001 33.376 -1.168 1.00 57.28 O ATOM 1298 CB HIS A 128 8.880 34.839 1.078 1.00 76.16 C ATOM 1299 CG HIS A 128 9.212 36.156 0.444 1.00 82.90 C ATOM 1300 ND1 HIS A 128 10.473 36.465 -0.024 1.00 83.69 N ATOM 1301 CD2 HIS A 128 8.452 37.258 0.228 1.00 86.17 C ATOM 1302 CE1 HIS A 128 10.471 37.698 -0.509 1.00 86.72 C ATOM 1303 NE2 HIS A 128 9.258 38.201 -0.368 1.00 88.03 N ATOM 1304 H HIS A 128 11.121 34.046 0.003 1.00 0.00 H ATOM 1305 N ILE A 129 8.683 34.535 -2.109 1.00 60.94 N ATOM 1306 CA ILE A 129 7.961 34.719 -3.363 1.00 63.19 C ATOM 1307 C ILE A 129 7.820 33.387 -4.081 1.00 59.68 C ATOM 1308 O ILE A 129 6.755 33.058 -4.618 1.00 61.28 O ATOM 1309 CB ILE A 129 8.676 35.763 -4.239 1.00 64.19 C ATOM 1310 CG1 ILE A 129 8.511 37.156 -3.623 1.00 66.80 C ATOM 1311 CG2 ILE A 129 8.126 35.751 -5.670 1.00 67.53 C ATOM 1312 CD1 ILE A 129 9.416 38.221 -4.222 1.00 68.59 C ATOM 1313 H ILE A 129 9.632 34.945 -1.997 1.00 0.00 H ATOM 1314 N TYR A 130 8.888 32.598 -4.102 1.00 55.41 N ATOM 1315 CA TYR A 130 8.794 31.275 -4.702 1.00 50.68 C ATOM 1316 C TYR A 130 7.819 30.385 -3.935 1.00 49.32 C ATOM 1317 O TYR A 130 7.072 29.600 -4.538 1.00 47.92 O ATOM 1318 CB TYR A 130 10.181 30.647 -4.757 1.00 51.97 C ATOM 1319 CG TYR A 130 10.217 29.401 -5.583 1.00 53.53 C ATOM 1320 CD1 TYR A 130 10.318 29.459 -6.969 1.00 57.17 C ATOM 1321 CD2 TYR A 130 10.135 28.170 -4.993 1.00 51.60 C ATOM 1322 CE1 TYR A 130 10.338 28.309 -7.725 1.00 55.75 C ATOM 1323 CE2 TYR A 130 10.163 27.020 -5.742 1.00 51.02 C ATOM 1324 CZ TYR A 130 10.261 27.092 -7.102 1.00 52.58 C ATOM 1325 OH TYR A 130 10.279 25.929 -7.833 1.00 52.29 O ATOM 1326 HH TYR A 130 10.353 26.147 -8.796 1.00 0.00 H ATOM 1327 H TYR A 130 9.787 32.924 -3.692 1.00 0.00 H ATOM 1328 N TYR A 131 7.814 30.482 -2.603 1.00 49.66 N ATOM 1329 CA TYR A 131 6.903 29.666 -1.802 1.00 52.38 C ATOM 1330 C TYR A 131 5.449 29.954 -2.172 1.00 58.13 C ATOM 1331 O TYR A 131 4.646 29.027 -2.368 1.00 53.48 O ATOM 1332 CB TYR A 131 7.131 29.909 -0.296 1.00 50.22 C ATOM 1333 CG TYR A 131 6.205 29.056 0.543 1.00 47.34 C ATOM 1334 CD1 TYR A 131 6.599 27.800 0.995 1.00 43.97 C ATOM 1335 CD2 TYR A 131 4.915 29.474 0.818 1.00 49.07 C ATOM 1336 CE1 TYR A 131 5.731 26.984 1.721 1.00 43.17 C ATOM 1337 CE2 TYR A 131 4.045 28.677 1.537 1.00 50.06 C ATOM 1338 CZ TYR A 131 4.460 27.434 1.991 1.00 47.93 C ATOM 1339 OH TYR A 131 3.587 26.645 2.712 1.00 50.41 O ATOM 1340 HH TYR A 131 4.036 25.798 2.958 1.00 0.00 H ATOM 1341 H TYR A 131 8.464 31.143 -2.132 1.00 0.00 H ATOM 1342 N LEU A 132 5.089 31.240 -2.267 1.00 65.41 N ATOM 1343 CA LEU A 132 3.705 31.600 -2.558 1.00 66.64 C ATOM 1344 C LEU A 132 3.298 31.144 -3.949 1.00 67.01 C ATOM 1345 O LEU A 132 2.165 30.690 -4.149 1.00 64.49 O ATOM 1346 CB LEU A 132 3.493 33.112 -2.414 1.00 70.49 C ATOM 1347 CG LEU A 132 3.438 33.701 -0.995 1.00 70.78 C ATOM 1348 CD1 LEU A 132 3.132 35.197 -1.044 1.00 76.63 C ATOM 1349 CD2 LEU A 132 2.414 32.990 -0.103 1.00 66.87 C ATOM 1350 H LEU A 132 5.800 31.987 -2.133 1.00 0.00 H ATOM 1351 N GLU A 133 4.194 31.268 -4.929 1.00 68.28 N ATOM 1352 CA GLU A 133 3.893 30.739 -6.252 1.00 72.55 C ATOM 1353 C GLU A 133 3.548 29.257 -6.177 1.00 62.04 C ATOM 1354 O GLU A 133 2.513 28.824 -6.689 1.00 60.46 O ATOM 1355 CB GLU A 133 5.066 30.979 -7.194 1.00 82.87 C ATOM 1356 CG GLU A 133 5.243 32.437 -7.552 1.00 90.83 C ATOM 1357 CD GLU A 133 6.312 32.662 -8.594 1.00 86.30 C ATOM 1358 OE1 GLU A 133 6.840 31.669 -9.136 1.00 82.26 O ATOM 1359 OE2 GLU A 133 6.620 33.840 -8.867 1.00 86.98 O ATOM 1360 H GLU A 133 5.103 31.740 -4.749 1.00 0.00 H ATOM 1361 N LYS A 134 4.400 28.460 -5.533 1.00 54.96 N ATOM 1362 CA LYS A 134 4.128 27.029 -5.439 1.00 55.00 C ATOM 1363 C LYS A 134 2.806 26.767 -4.741 1.00 52.09 C ATOM 1364 O LYS A 134 2.017 25.922 -5.181 1.00 55.38 O ATOM 1365 CB LYS A 134 5.244 26.312 -4.676 1.00 55.38 C ATOM 1366 CG LYS A 134 6.452 26.003 -5.482 1.00 55.19 C ATOM 1367 CD LYS A 134 6.214 24.865 -6.446 1.00 50.55 C ATOM 1368 CE LYS A 134 7.563 24.345 -6.874 1.00 44.61 C ATOM 1369 NZ LYS A 134 7.548 23.658 -8.176 1.00 45.38 N ATOM 1370 HZ1 LYS A 134 6.903 22.844 -8.130 1.00 0.00 H ATOM 1371 HZ2 LYS A 134 7.223 24.318 -8.911 1.00 0.00 H ATOM 1372 HZ3 LYS A 134 8.508 23.329 -8.404 1.00 0.00 H ATOM 1373 H LYS A 134 5.257 28.857 -5.098 1.00 0.00 H ATOM 1374 N ALA A 135 2.583 27.434 -3.605 1.00 50.43 N ATOM 1375 CA ALA A 135 1.361 27.225 -2.847 1.00 52.06 C ATOM 1376 C ALA A 135 0.143 27.569 -3.685 1.00 66.53 C ATOM 1377 O ALA A 135 -0.880 26.876 -3.627 1.00 66.59 O ATOM 1378 CB ALA A 135 1.395 28.068 -1.580 1.00 57.29 C ATOM 1379 H ALA A 135 3.293 28.111 -3.259 1.00 0.00 H ATOM 1380 N ASN A 136 0.240 28.635 -4.480 1.00 74.89 N ATOM 1381 CA ASN A 136 -0.893 29.070 -5.281 1.00 80.30 C ATOM 1382 C ASN A 136 -1.113 28.160 -6.485 1.00 77.77 C ATOM 1383 O ASN A 136 -2.249 28.009 -6.944 1.00 77.67 O ATOM 1384 CB ASN A 136 -0.689 30.515 -5.718 1.00 85.62 C ATOM 1385 CG ASN A 136 -1.807 31.010 -6.584 1.00 92.20 C ATOM 1386 OD1 ASN A 136 -2.894 31.320 -6.095 1.00 94.26 O ATOM 1387 ND2 ASN A 136 -1.558 31.084 -7.889 1.00 95.65 N ATOM 1388 HD22 ASN A 136 -0.624 30.811 -8.256 1.00 0.00 H ATOM 1389 HD21 ASN A 136 -2.297 31.415 -8.542 1.00 0.00 H ATOM 1390 H ASN A 136 1.136 29.161 -4.528 1.00 0.00 H ATOM 1391 N LYS A 137 -0.056 27.530 -7.000 1.00 73.90 N ATOM 1392 CA LYS A 137 -0.244 26.572 -8.085 1.00 79.83 C ATOM 1393 C LYS A 137 -0.997 25.340 -7.600 1.00 81.11 C ATOM 1394 O LYS A 137 -2.004 24.939 -8.190 1.00 83.35 O ATOM 1395 CB LYS A 137 1.102 26.168 -8.683 1.00 79.79 C ATOM 1396 CG LYS A 137 0.968 25.106 -9.769 1.00 85.77 C ATOM 1397 CD LYS A 137 2.296 24.768 -10.445 1.00 89.38 C ATOM 1398 CE LYS A 137 2.079 23.801 -11.621 1.00 95.30 C ATOM 1399 NZ LYS A 137 2.774 22.490 -11.458 1.00 94.73 N ATOM 1400 HZ1 LYS A 137 3.798 22.650 -11.374 1.00 0.00 H ATOM 1401 HZ2 LYS A 137 2.424 22.018 -10.600 1.00 0.00 H ATOM 1402 HZ3 LYS A 137 2.582 21.892 -12.287 1.00 0.00 H ATOM 1403 H LYS A 137 0.897 27.720 -6.630 1.00 0.00 H ATOM 1404 N ILE A 138 -0.530 24.728 -6.524 1.00 83.05 N ATOM 1405 CA ILE A 138 -1.087 23.455 -6.092 1.00 80.46 C ATOM 1406 C ILE A 138 -2.249 23.652 -5.122 1.00 87.64 C ATOM 1407 O ILE A 138 -3.334 23.106 -5.329 1.00 87.62 O ATOM 1408 CB ILE A 138 0.044 22.580 -5.499 1.00 69.17 C ATOM 1409 CG1 ILE A 138 0.565 23.127 -4.170 1.00 60.43 C ATOM 1410 CG2 ILE A 138 1.200 22.524 -6.486 1.00 68.33 C ATOM 1411 CD1 ILE A 138 1.700 22.308 -3.559 1.00 50.41 C ATOM 1412 H ILE A 138 0.244 25.162 -5.981 1.00 0.00 H ATOM 1413 N LYS A 139 -2.063 24.453 -4.072 1.00110.83 N ATOM 1414 CA LYS A 139 -3.083 24.651 -3.046 1.00120.77 C ATOM 1415 C LYS A 139 -3.767 23.338 -2.682 1.00124.44 C ATOM 1416 O LYS A 139 -4.976 23.311 -2.417 1.00123.96 O ATOM 1417 CB LYS A 139 -4.124 25.681 -3.511 1.00126.76 C ATOM 1418 CG LYS A 139 -5.220 26.040 -2.483 1.00130.99 C ATOM 1419 CD LYS A 139 -4.717 26.001 -1.040 1.00127.24 C ATOM 1420 CE LYS A 139 -5.701 26.664 -0.089 1.00131.76 C ATOM 1421 NZ LYS A 139 -7.070 26.094 -0.197 1.00136.61 N ATOM 1422 HZ1 LYS A 139 -7.423 26.225 -1.166 1.00 0.00 H ATOM 1423 HZ2 LYS A 139 -7.040 25.079 0.028 1.00 0.00 H ATOM 1424 HZ3 LYS A 139 -7.701 26.581 0.472 1.00 0.00 H ATOM 1425 H LYS A 139 -1.157 24.956 -3.980 1.00 0.00 H ATOM 1426 N SER A 140 -3.013 22.237 -2.683 1.00128.88 N ATOM 1427 CA SER A 140 -3.585 20.979 -2.224 1.00123.63 C ATOM 1428 C SER A 140 -3.869 21.026 -0.735 1.00112.54 C ATOM 1429 O SER A 140 -4.711 20.268 -0.241 1.00109.99 O ATOM 1430 CB SER A 140 -2.655 19.815 -2.551 1.00113.43 C ATOM 1431 OG SER A 140 -2.681 19.527 -3.939 1.00106.99 O ATOM 1432 HG SER A 140 -2.072 18.770 -4.129 1.00 0.00 H ATOM 1433 H SER A 140 -2.026 22.277 -3.009 1.00 0.00 H ATOM 1434 N GLU A 141 -3.162 21.886 -0.006 1.00103.98 N ATOM 1435 CA GLU A 141 -3.370 22.138 1.417 1.00101.60 C ATOM 1436 C GLU A 141 -3.299 20.869 2.259 1.00 96.02 C ATOM 1437 O GLU A 141 -3.650 20.894 3.448 1.00 97.44 O ATOM 1438 CB GLU A 141 -4.702 22.862 1.670 1.00110.73 C ATOM 1439 CG GLU A 141 -4.801 23.509 3.048 1.00114.16 C ATOM 1440 CD GLU A 141 -5.960 24.483 3.159 1.00122.29 C ATOM 1441 OE1 GLU A 141 -6.788 24.539 2.225 1.00124.98 O ATOM 1442 OE2 GLU A 141 -6.043 25.198 4.180 1.00125.10 O ATOM 1443 H GLU A 141 -2.407 22.417 -0.485 1.00 0.00 H ATOM 1444 N LYS A 142 -2.901 19.750 1.665 1.00 88.39 N ATOM 1445 CA LYS A 142 -2.328 18.650 2.408 1.00 77.06 C ATOM 1446 C LYS A 142 -0.915 18.350 1.960 1.00 61.04 C ATOM 1447 O LYS A 142 -0.141 17.816 2.753 1.00 59.44 O ATOM 1448 CB LYS A 142 -3.193 17.384 2.279 1.00 76.48 C ATOM 1449 CG LYS A 142 -4.350 17.338 3.277 1.00 73.25 C ATOM 1450 CD LYS A 142 -5.326 16.166 3.033 1.00 73.06 C ATOM 1451 CE LYS A 142 -4.753 14.769 3.405 1.00 69.12 C ATOM 1452 NZ LYS A 142 -5.786 13.638 3.285 1.00 69.91 N ATOM 1453 HZ1 LYS A 142 -6.584 13.830 3.923 1.00 0.00 H ATOM 1454 HZ2 LYS A 142 -6.129 13.586 2.305 1.00 0.00 H ATOM 1455 HZ3 LYS A 142 -5.341 12.735 3.546 1.00 0.00 H ATOM 1456 H LYS A 142 -3.005 19.662 0.634 1.00 0.00 H ATOM 1457 N THR A 143 -0.555 18.710 0.729 1.00 51.17 N ATOM 1458 CA THR A 143 0.819 18.600 0.250 1.00 42.61 C ATOM 1459 C THR A 143 1.687 19.613 0.974 1.00 40.44 C ATOM 1460 O THR A 143 1.452 20.824 0.903 1.00 43.86 O ATOM 1461 CB THR A 143 0.888 18.820 -1.255 1.00 42.05 C ATOM 1462 OG1 THR A 143 0.129 17.800 -1.923 1.00 46.36 O ATOM 1463 CG2 THR A 143 2.288 18.741 -1.723 1.00 40.01 C ATOM 1464 HG1 THR A 143 0.174 17.944 -2.901 1.00 0.00 H ATOM 1465 H THR A 143 -1.281 19.084 0.085 1.00 0.00 H ATOM 1466 N HIS A 144 2.708 19.114 1.635 1.00 36.86 N ATOM 1467 CA HIS A 144 3.657 19.955 2.340 1.00 36.38 C ATOM 1468 C HIS A 144 4.664 20.544 1.348 1.00 37.32 C ATOM 1469 O HIS A 144 5.102 19.868 0.420 1.00 38.48 O ATOM 1470 CB HIS A 144 4.358 19.106 3.394 1.00 36.44 C ATOM 1471 CG HIS A 144 4.784 19.876 4.594 1.00 38.47 C ATOM 1472 ND1 HIS A 144 3.913 20.207 5.608 1.00 40.84 N ATOM 1473 CD2 HIS A 144 5.991 20.372 4.952 1.00 37.94 C ATOM 1474 CE1 HIS A 144 4.564 20.888 6.537 1.00 42.28 C ATOM 1475 NE2 HIS A 144 5.825 21.009 6.162 1.00 39.93 N ATOM 1476 H HIS A 144 2.840 18.083 1.653 1.00 0.00 H ATOM 1477 N ILE A 145 4.996 21.820 1.516 1.00 33.65 N ATOM 1478 CA ILE A 145 5.915 22.513 0.624 1.00 33.57 C ATOM 1479 C ILE A 145 7.206 22.788 1.368 1.00 31.12 C ATOM 1480 O ILE A 145 7.186 23.265 2.510 1.00 35.92 O ATOM 1481 CB ILE A 145 5.303 23.812 0.070 1.00 36.88 C ATOM 1482 CG1 ILE A 145 4.069 23.492 -0.756 1.00 38.50 C ATOM 1483 CG2 ILE A 145 6.315 24.572 -0.817 1.00 35.46 C ATOM 1484 CD1 ILE A 145 3.345 24.748 -1.252 1.00 42.64 C ATOM 1485 H ILE A 145 4.584 22.343 2.315 1.00 0.00 H ATOM 1486 N HIS A 146 8.330 22.478 0.730 1.00 29.96 N ATOM 1487 CA HIS A 146 9.648 22.748 1.299 1.00 29.99 C ATOM 1488 C HIS A 146 10.529 23.380 0.218 1.00 30.30 C ATOM 1489 O HIS A 146 10.829 22.739 -0.788 1.00 29.16 O ATOM 1490 CB HIS A 146 10.280 21.463 1.830 1.00 28.38 C ATOM 1491 CG HIS A 146 11.405 21.705 2.775 1.00 30.17 C ATOM 1492 ND1 HIS A 146 11.569 20.976 3.935 1.00 29.41 N ATOM 1493 CD2 HIS A 146 12.373 22.653 2.784 1.00 30.15 C ATOM 1494 CE1 HIS A 146 12.618 21.430 4.592 1.00 29.99 C ATOM 1495 NE2 HIS A 146 13.110 22.467 3.934 1.00 31.53 N ATOM 1496 H HIS A 146 8.269 22.028 -0.206 1.00 0.00 H ATOM 1497 N ILE A 147 10.964 24.618 0.455 1.00 35.29 N ATOM 1498 CA ILE A 147 11.702 25.423 -0.518 1.00 33.67 C ATOM 1499 C ILE A 147 13.126 25.570 -0.029 1.00 33.31 C ATOM 1500 O ILE A 147 13.352 25.903 1.144 1.00 32.97 O ATOM 1501 CB ILE A 147 11.083 26.822 -0.692 1.00 36.30 C ATOM 1502 CG1 ILE A 147 9.611 26.725 -1.069 1.00 39.36 C ATOM 1503 CG2 ILE A 147 11.866 27.643 -1.714 1.00 38.54 C ATOM 1504 CD1 ILE A 147 9.315 25.992 -2.356 1.00 39.11 C ATOM 1505 H ILE A 147 10.767 25.036 1.387 1.00 0.00 H ATOM 1506 N PHE A 148 14.081 25.358 -0.930 1.00 30.40 N ATOM 1507 CA PHE A 148 15.475 25.663 -0.668 1.00 32.55 C ATOM 1508 C PHE A 148 15.943 26.719 -1.663 1.00 34.65 C ATOM 1509 O PHE A 148 15.476 26.780 -2.805 1.00 36.03 O ATOM 1510 CB PHE A 148 16.373 24.404 -0.833 1.00 31.24 C ATOM 1511 CG PHE A 148 16.061 23.270 0.094 1.00 30.27 C ATOM 1512 CD1 PHE A 148 16.759 23.131 1.293 1.00 32.28 C ATOM 1513 CD2 PHE A 148 15.129 22.316 -0.256 1.00 29.22 C ATOM 1514 CE1 PHE A 148 16.512 22.037 2.140 1.00 30.94 C ATOM 1515 CE2 PHE A 148 14.848 21.224 0.597 1.00 30.23 C ATOM 1516 CZ PHE A 148 15.553 21.094 1.802 1.00 26.75 C ATOM 1517 H PHE A 148 13.819 24.960 -1.854 1.00 0.00 H ATOM 1518 N SER A 149 16.909 27.498 -1.255 1.00 37.67 N ATOM 1519 CA SER A 149 17.567 28.448 -2.130 1.00 39.65 C ATOM 1520 C SER A 149 19.032 28.067 -2.271 1.00 41.52 C ATOM 1521 O SER A 149 19.518 27.144 -1.638 1.00 45.04 O ATOM 1522 CB SER A 149 17.425 29.861 -1.578 1.00 40.80 C ATOM 1523 OG SER A 149 18.358 30.042 -0.550 1.00 42.47 O ATOM 1524 HG SER A 149 18.272 30.958 -0.186 1.00 0.00 H ATOM 1525 H SER A 149 17.218 27.434 -0.264 1.00 0.00 H ATOM 1526 N PHE A 150 19.765 28.801 -3.089 1.00 42.72 N ATOM 1527 CA PHE A 150 21.185 28.516 -3.223 1.00 43.06 C ATOM 1528 C PHE A 150 22.050 29.203 -2.163 1.00 48.27 C ATOM 1529 O PHE A 150 23.270 28.988 -2.150 1.00 50.20 O ATOM 1530 CB PHE A 150 21.651 28.903 -4.623 1.00 41.14 C ATOM 1531 CG PHE A 150 21.264 27.903 -5.680 1.00 39.01 C ATOM 1532 CD1 PHE A 150 22.133 26.876 -6.025 1.00 37.32 C ATOM 1533 CD2 PHE A 150 20.035 27.966 -6.308 1.00 38.83 C ATOM 1534 CE1 PHE A 150 21.790 25.969 -6.945 1.00 34.21 C ATOM 1535 CE2 PHE A 150 19.681 27.033 -7.266 1.00 37.00 C ATOM 1536 CZ PHE A 150 20.563 26.041 -7.597 1.00 35.57 C ATOM 1537 H PHE A 150 19.331 29.575 -3.632 1.00 0.00 H ATOM 1538 N THR A 151 21.456 30.006 -1.276 1.00 46.94 N ATOM 1539 CA THR A 151 22.191 30.738 -0.255 1.00 51.12 C ATOM 1540 C THR A 151 21.788 30.316 1.158 1.00 48.41 C ATOM 1541 O THR A 151 21.994 31.071 2.124 1.00 48.98 O ATOM 1542 CB THR A 151 21.968 32.238 -0.436 1.00 56.09 C ATOM 1543 OG1 THR A 151 20.611 32.519 -0.108 1.00 56.28 O ATOM 1544 CG2 THR A 151 22.187 32.656 -1.873 1.00 56.87 C ATOM 1545 HG1 THR A 151 20.438 32.256 0.831 1.00 0.00 H ATOM 1546 H THR A 151 20.422 30.113 -1.317 1.00 0.00 H ATOM 1547 N GLY A 152 21.190 29.142 1.318 1.00 43.88 N ATOM 1548 CA GLY A 152 20.947 28.612 2.642 1.00 43.92 C ATOM 1549 C GLY A 152 19.570 28.885 3.204 1.00 46.36 C ATOM 1550 O GLY A 152 19.181 28.240 4.198 1.00 46.60 O ATOM 1551 H GLY A 152 20.893 28.598 0.483 1.00 0.00 H ATOM 1552 N GLU A 153 18.823 29.821 2.612 1.00 47.93 N ATOM 1553 CA GLU A 153 17.476 30.102 3.087 1.00 47.73 C ATOM 1554 C GLU A 153 16.555 28.925 2.761 1.00 41.67 C ATOM 1555 O GLU A 153 16.732 28.209 1.769 1.00 40.51 O ATOM 1556 CB GLU A 153 16.932 31.397 2.472 1.00 53.45 C ATOM 1557 CG GLU A 153 17.576 32.675 3.001 1.00 65.50 C ATOM 1558 CD GLU A 153 18.861 33.010 2.273 1.00 70.19 C ATOM 1559 OE1 GLU A 153 19.099 32.380 1.217 1.00 70.65 O ATOM 1560 OE2 GLU A 153 19.632 33.883 2.740 1.00 71.93 O ATOM 1561 H GLU A 153 19.207 30.353 1.805 1.00 0.00 H ATOM 1562 N GLU A 154 15.596 28.685 3.650 1.00 41.66 N ATOM 1563 CA GLU A 154 14.572 27.680 3.432 1.00 42.61 C ATOM 1564 C GLU A 154 13.233 28.252 3.836 1.00 39.98 C ATOM 1565 O GLU A 154 13.158 29.149 4.658 1.00 40.86 O ATOM 1566 CB GLU A 154 14.719 26.431 4.293 1.00 44.04 C ATOM 1567 CG GLU A 154 15.936 25.632 4.187 1.00 42.63 C ATOM 1568 CD GLU A 154 15.932 24.623 5.325 1.00 40.37 C ATOM 1569 OE1 GLU A 154 16.404 24.957 6.425 1.00 40.27 O ATOM 1570 OE2 GLU A 154 15.417 23.522 5.098 1.00 36.83 O ATOM 1571 H GLU A 154 15.579 29.236 4.532 1.00 0.00 H ATOM 1572 N MET A 155 12.163 27.671 3.309 1.00 36.61 N ATOM 1573 CA MET A 155 10.834 28.004 3.791 1.00 39.71 C ATOM 1574 C MET A 155 9.977 26.765 3.632 1.00 37.63 C ATOM 1575 O MET A 155 9.930 26.159 2.546 1.00 34.63 O ATOM 1576 CB MET A 155 10.228 29.196 3.038 1.00 42.44 C ATOM 1577 CG MET A 155 8.788 29.543 3.443 1.00 47.60 C ATOM 1578 SD MET A 155 8.541 29.944 5.195 1.00 55.56 S ATOM 1579 CE MET A 155 9.436 31.488 5.341 1.00 64.28 C ATOM 1580 H MET A 155 12.277 26.973 2.546 1.00 0.00 H ATOM 1581 N ALA A 156 9.293 26.389 4.710 1.00 37.77 N ATOM 1582 CA ALA A 156 8.499 25.189 4.665 1.00 34.87 C ATOM 1583 C ALA A 156 7.154 25.459 5.312 1.00 37.61 C ATOM 1584 O ALA A 156 7.019 26.319 6.195 1.00 39.33 O ATOM 1585 CB ALA A 156 9.207 24.012 5.343 1.00 34.86 C ATOM 1586 H ALA A 156 9.332 26.958 5.579 1.00 0.00 H ATOM 1587 N THR A 157 6.162 24.717 4.831 1.00 37.41 N ATOM 1588 CA THR A 157 4.781 24.861 5.274 1.00 39.63 C ATOM 1589 C THR A 157 4.696 24.793 6.787 1.00 41.57 C ATOM 1590 O THR A 157 5.225 23.860 7.412 1.00 38.72 O ATOM 1591 CB THR A 157 3.920 23.768 4.628 1.00 38.56 C ATOM 1592 OG1 THR A 157 3.963 23.919 3.208 1.00 38.48 O ATOM 1593 CG2 THR A 157 2.453 23.834 5.097 1.00 41.89 C ATOM 1594 HG1 THR A 157 3.611 24.811 2.961 1.00 0.00 H ATOM 1595 H THR A 157 6.381 24.003 4.107 1.00 0.00 H ATOM 1596 N LYS A 158 4.057 25.813 7.361 1.00 46.61 N ATOM 1597 CA LYS A 158 3.759 25.877 8.790 1.00 51.02 C ATOM 1598 C LYS A 158 5.034 25.841 9.639 1.00 48.17 C ATOM 1599 O LYS A 158 5.013 25.417 10.798 1.00 46.70 O ATOM 1600 CB LYS A 158 2.810 24.756 9.200 1.00 56.81 C ATOM 1601 CG LYS A 158 1.407 24.974 8.712 1.00 68.98 C ATOM 1602 CD LYS A 158 0.531 23.761 8.982 1.00 78.53 C ATOM 1603 CE LYS A 158 -0.897 23.963 8.454 1.00 91.32 C ATOM 1604 NZ LYS A 158 -0.940 24.226 6.975 1.00 97.33 N ATOM 1605 HZ1 LYS A 158 -0.397 25.087 6.761 1.00 0.00 H ATOM 1606 HZ2 LYS A 158 -0.525 23.418 6.468 1.00 0.00 H ATOM 1607 HZ3 LYS A 158 -1.928 24.354 6.675 1.00 0.00 H ATOM 1608 H LYS A 158 3.755 26.605 6.759 1.00 0.00 H ATOM 1609 N ALA A 159 6.146 26.303 9.069 1.00 47.09 N ATOM 1610 CA ALA A 159 7.450 26.298 9.749 1.00 47.20 C ATOM 1611 C ALA A 159 7.818 24.899 10.237 1.00 43.69 C ATOM 1612 O ALA A 159 8.472 24.748 11.271 1.00 42.16 O ATOM 1613 CB ALA A 159 7.479 27.294 10.922 1.00 49.66 C ATOM 1614 H ALA A 159 6.090 26.683 8.103 1.00 0.00 H ATOM 1615 N ASP A 160 7.342 23.887 9.529 1.00 42.86 N ATOM 1616 CA ASP A 160 7.581 22.475 9.824 1.00 39.40 C ATOM 1617 C ASP A 160 8.549 21.942 8.769 1.00 35.78 C ATOM 1618 O ASP A 160 8.178 21.784 7.611 1.00 35.24 O ATOM 1619 CB ASP A 160 6.253 21.722 9.833 1.00 39.77 C ATOM 1620 CG ASP A 160 6.406 20.198 9.921 1.00 41.43 C ATOM 1621 OD1 ASP A 160 7.520 19.655 9.830 1.00 44.28 O ATOM 1622 OD2 ASP A 160 5.373 19.523 10.086 1.00 42.46 O ATOM 1623 H ASP A 160 6.754 24.113 8.701 1.00 0.00 H ATOM 1624 N TYR A 161 9.782 21.649 9.176 1.00 37.48 N ATOM 1625 CA TYR A 161 10.880 21.405 8.244 1.00 31.56 C ATOM 1626 C TYR A 161 11.165 19.938 7.978 1.00 31.68 C ATOM 1627 O TYR A 161 12.054 19.646 7.177 1.00 32.32 O ATOM 1628 CB TYR A 161 12.131 22.152 8.744 1.00 30.00 C ATOM 1629 CG TYR A 161 11.919 23.611 8.484 1.00 33.77 C ATOM 1630 CD1 TYR A 161 12.328 24.163 7.285 1.00 36.64 C ATOM 1631 CD2 TYR A 161 11.193 24.412 9.369 1.00 37.77 C ATOM 1632 CE1 TYR A 161 12.098 25.505 6.993 1.00 38.15 C ATOM 1633 CE2 TYR A 161 10.936 25.740 9.072 1.00 42.11 C ATOM 1634 CZ TYR A 161 11.375 26.261 7.842 1.00 43.67 C ATOM 1635 OH TYR A 161 11.154 27.572 7.463 1.00 50.23 O ATOM 1636 HH TYR A 161 11.544 27.725 6.566 1.00 0.00 H ATOM 1637 H TYR A 161 9.971 21.592 10.197 1.00 0.00 H ATOM 1638 N THR A 162 10.401 19.018 8.583 1.00 33.64 N ATOM 1639 CA THR A 162 10.395 17.580 8.294 1.00 33.13 C ATOM 1640 C THR A 162 11.669 16.875 8.767 1.00 34.49 C ATOM 1641 O THR A 162 11.610 15.935 9.578 1.00 36.65 O ATOM 1642 CB THR A 162 10.192 17.277 6.798 1.00 32.53 C ATOM 1643 OG1 THR A 162 8.904 17.717 6.361 1.00 33.99 O ATOM 1644 CG2 THR A 162 10.254 15.807 6.533 1.00 32.98 C ATOM 1645 HG1 THR A 162 8.824 18.694 6.503 1.00 0.00 H ATOM 1646 H THR A 162 9.754 19.354 9.324 1.00 0.00 H ATOM 1647 N LEU A 163 12.802 17.290 8.227 1.00 33.34 N ATOM 1648 CA LEU A 163 14.107 16.693 8.470 1.00 32.89 C ATOM 1649 C LEU A 163 14.886 17.467 9.530 1.00 34.34 C ATOM 1650 O LEU A 163 14.645 18.654 9.778 1.00 37.26 O ATOM 1651 CB LEU A 163 14.929 16.662 7.196 1.00 29.70 C ATOM 1652 CG LEU A 163 14.285 15.967 6.004 1.00 33.06 C ATOM 1653 CD1 LEU A 163 15.274 16.079 4.882 1.00 33.08 C ATOM 1654 CD2 LEU A 163 13.968 14.500 6.368 1.00 34.28 C ATOM 1655 H LEU A 163 12.758 18.103 7.581 1.00 0.00 H ATOM 1656 N ASP A 164 15.855 16.762 10.119 1.00 34.77 N ATOM 1657 CA ASP A 164 16.842 17.281 11.052 1.00 37.57 C ATOM 1658 C ASP A 164 17.763 18.285 10.350 1.00 32.63 C ATOM 1659 O ASP A 164 17.869 18.326 9.106 1.00 32.09 O ATOM 1660 CB ASP A 164 17.662 16.105 11.598 1.00 41.09 C ATOM 1661 CG ASP A 164 18.359 15.412 10.470 1.00 42.33 C ATOM 1662 OD1 ASP A 164 17.665 14.800 9.596 1.00 43.83 O ATOM 1663 OD2 ASP A 164 19.569 15.613 10.329 1.00 42.82 O ATOM 1664 H ASP A 164 15.909 15.749 9.889 1.00 0.00 H ATOM 1665 N GLU A 165 18.492 19.072 11.163 1.00 33.23 N ATOM 1666 CA GLU A 165 19.340 20.110 10.600 1.00 35.82 C ATOM 1667 C GLU A 165 20.517 19.539 9.809 1.00 37.41 C ATOM 1668 O GLU A 165 20.974 20.184 8.868 1.00 37.81 O ATOM 1669 CB GLU A 165 19.890 21.064 11.692 1.00 37.13 C ATOM 1670 CG GLU A 165 18.846 21.921 12.382 1.00 37.14 C ATOM 1671 CD GLU A 165 18.218 22.974 11.512 1.00 40.23 C ATOM 1672 OE1 GLU A 165 18.929 23.677 10.724 1.00 40.55 O ATOM 1673 OE2 GLU A 165 16.981 23.143 11.637 1.00 41.47 O ATOM 1674 H GLU A 165 18.449 18.938 12.193 1.00 0.00 H ATOM 1675 N GLU A 166 21.036 18.367 10.187 1.00 39.04 N ATOM 1676 CA GLU A 166 22.167 17.799 9.463 1.00 40.05 C ATOM 1677 C GLU A 166 21.759 17.404 8.049 1.00 35.27 C ATOM 1678 O GLU A 166 22.492 17.694 7.107 1.00 34.25 O ATOM 1679 CB GLU A 166 22.763 16.608 10.226 1.00 53.47 C ATOM 1680 CG GLU A 166 23.880 15.859 9.473 1.00 71.21 C ATOM 1681 CD GLU A 166 25.050 16.760 9.022 1.00 86.77 C ATOM 1682 OE1 GLU A 166 25.539 17.555 9.859 1.00104.12 O ATOM 1683 OE2 GLU A 166 25.480 16.678 7.832 1.00 79.92 O ATOM 1684 H GLU A 166 20.632 17.859 11.000 1.00 0.00 H ATOM 1685 N SER A 167 20.586 16.771 7.873 1.00 32.66 N ATOM 1686 CA SER A 167 20.168 16.411 6.511 1.00 31.10 C ATOM 1687 C SER A 167 19.944 17.655 5.654 1.00 29.29 C ATOM 1688 O SER A 167 20.322 17.708 4.471 1.00 29.33 O ATOM 1689 CB SER A 167 18.880 15.570 6.531 1.00 31.39 C ATOM 1690 OG SER A 167 19.021 14.383 7.291 1.00 34.66 O ATOM 1691 HG SER A 167 19.249 14.616 8.226 1.00 0.00 H ATOM 1692 H SER A 167 19.984 16.540 8.689 1.00 0.00 H ATOM 1693 N ARG A 168 19.292 18.666 6.214 1.00 29.76 N ATOM 1694 CA ARG A 168 19.091 19.883 5.454 1.00 30.25 C ATOM 1695 C ARG A 168 20.412 20.606 5.202 1.00 33.19 C ATOM 1696 O ARG A 168 20.586 21.224 4.128 1.00 33.93 O ATOM 1697 CB ARG A 168 18.055 20.733 6.173 1.00 30.66 C ATOM 1698 CG ARG A 168 16.696 20.134 5.881 1.00 29.42 C ATOM 1699 CD ARG A 168 15.667 20.389 6.963 1.00 30.31 C ATOM 1700 NE ARG A 168 15.715 21.776 7.361 1.00 33.33 N ATOM 1701 CZ ARG A 168 15.846 22.207 8.612 1.00 34.03 C ATOM 1702 NH1 ARG A 168 15.840 21.358 9.658 1.00 36.80 N ATOM 1703 NH2 ARG A 168 15.920 23.513 8.828 1.00 34.95 N ATOM 1704 HE ARG A 168 15.641 22.493 6.611 1.00 0.00 H ATOM 1705 HH12 ARG A 168 15.944 21.724 10.626 1.00 0.00 H ATOM 1706 HH11 ARG A 168 15.731 20.336 9.498 1.00 0.00 H ATOM 1707 HH22 ARG A 168 16.023 23.875 9.798 1.00 0.00 H ATOM 1708 HH21 ARG A 168 15.875 24.176 8.028 1.00 0.00 H ATOM 1709 H ARG A 168 18.930 18.586 7.186 1.00 0.00 H ATOM 1710 N ALA A 169 21.387 20.434 6.079 1.00 34.60 N ATOM 1711 CA ALA A 169 22.682 21.066 5.836 1.00 35.94 C ATOM 1712 C ALA A 169 23.418 20.394 4.684 1.00 32.60 C ATOM 1713 O ALA A 169 24.143 21.065 3.946 1.00 35.63 O ATOM 1714 CB ALA A 169 23.541 21.055 7.097 1.00 37.12 C ATOM 1715 H ALA A 169 21.234 19.857 6.930 1.00 0.00 H ATOM 1716 N ARG A 170 23.292 19.065 4.559 1.00 32.46 N ATOM 1717 CA ARG A 170 23.842 18.345 3.413 1.00 35.01 C ATOM 1718 C ARG A 170 23.301 18.947 2.136 1.00 32.88 C ATOM 1719 O ARG A 170 24.055 19.262 1.226 1.00 33.99 O ATOM 1720 CB ARG A 170 23.495 16.843 3.439 1.00 40.00 C ATOM 1721 CG ARG A 170 24.200 15.982 4.468 1.00 50.91 C ATOM 1722 CD ARG A 170 24.001 14.479 4.152 1.00 57.72 C ATOM 1723 NE ARG A 170 22.644 14.000 4.474 1.00 58.84 N ATOM 1724 CZ ARG A 170 22.269 13.491 5.656 1.00 58.60 C ATOM 1725 NH1 ARG A 170 23.135 13.382 6.659 1.00 60.03 N ATOM 1726 NH2 ARG A 170 21.013 13.087 5.844 1.00 56.51 N ATOM 1727 HE ARG A 170 21.923 14.062 3.727 1.00 0.00 H ATOM 1728 HH12 ARG A 170 22.828 12.985 7.570 1.00 0.00 H ATOM 1729 HH11 ARG A 170 24.119 13.694 6.533 1.00 0.00 H ATOM 1730 HH22 ARG A 170 20.726 12.693 6.762 1.00 0.00 H ATOM 1731 HH21 ARG A 170 20.320 13.166 5.072 1.00 0.00 H ATOM 1732 H ARG A 170 22.789 18.533 5.298 1.00 0.00 H ATOM 1733 N ILE A 171 21.981 19.125 2.069 1.00 30.61 N ATOM 1734 CA ILE A 171 21.355 19.695 0.882 1.00 31.65 C ATOM 1735 C ILE A 171 21.872 21.097 0.640 1.00 29.00 C ATOM 1736 O ILE A 171 22.278 21.435 -0.470 1.00 30.88 O ATOM 1737 CB ILE A 171 19.819 19.660 1.022 1.00 31.54 C ATOM 1738 CG1 ILE A 171 19.335 18.216 0.917 1.00 31.57 C ATOM 1739 CG2 ILE A 171 19.165 20.586 -0.022 1.00 30.17 C ATOM 1740 CD1 ILE A 171 17.825 17.944 1.291 1.00 31.79 C ATOM 1741 H ILE A 171 21.387 18.852 2.878 1.00 0.00 H ATOM 1742 N LYS A 172 21.959 21.916 1.696 1.00 31.93 N ATOM 1743 CA LYS A 172 22.369 23.308 1.510 1.00 30.70 C ATOM 1744 C LYS A 172 23.830 23.375 1.114 1.00 30.34 C ATOM 1745 O LYS A 172 24.224 24.226 0.309 1.00 33.46 O ATOM 1746 CB LYS A 172 22.119 24.119 2.795 1.00 33.87 C ATOM 1747 CG LYS A 172 20.610 24.226 3.129 1.00 37.24 C ATOM 1748 CD LYS A 172 20.246 25.044 4.401 1.00 47.61 C ATOM 1749 CE LYS A 172 20.299 24.242 5.665 1.00 58.91 C ATOM 1750 NZ LYS A 172 19.622 24.946 6.835 1.00 66.66 N ATOM 1751 HZ1 LYS A 172 20.096 25.855 7.013 1.00 0.00 H ATOM 1752 HZ2 LYS A 172 18.622 25.115 6.605 1.00 0.00 H ATOM 1753 HZ3 LYS A 172 19.688 24.348 7.683 1.00 0.00 H ATOM 1754 H LYS A 172 21.735 21.563 2.648 1.00 0.00 H ATOM 1755 N THR A 173 24.649 22.487 1.675 1.00 32.15 N ATOM 1756 CA THR A 173 26.061 22.464 1.308 1.00 32.35 C ATOM 1757 C THR A 173 26.220 22.097 -0.161 1.00 30.11 C ATOM 1758 O THR A 173 27.069 22.670 -0.845 1.00 31.66 O ATOM 1759 CB THR A 173 26.823 21.494 2.201 1.00 33.83 C ATOM 1760 OG1 THR A 173 26.736 21.960 3.542 1.00 38.53 O ATOM 1761 CG2 THR A 173 28.329 21.451 1.844 1.00 35.70 C ATOM 1762 HG1 THR A 173 25.785 21.999 3.816 1.00 0.00 H ATOM 1763 H THR A 173 24.282 21.810 2.374 1.00 0.00 H ATOM 1764 N ARG A 174 25.410 21.145 -0.646 1.00 30.74 N ATOM 1765 CA ARG A 174 25.461 20.753 -2.058 1.00 30.69 C ATOM 1766 C ARG A 174 25.056 21.918 -2.949 1.00 30.35 C ATOM 1767 O ARG A 174 25.732 22.216 -3.941 1.00 30.55 O ATOM 1768 CB ARG A 174 24.565 19.530 -2.303 1.00 28.49 C ATOM 1769 CG ARG A 174 24.393 19.135 -3.774 1.00 30.35 C ATOM 1770 CD ARG A 174 25.752 18.861 -4.405 1.00 31.94 C ATOM 1771 NE ARG A 174 25.575 18.462 -5.782 1.00 35.68 N ATOM 1772 CZ ARG A 174 26.521 18.444 -6.709 1.00 36.90 C ATOM 1773 NH1 ARG A 174 27.768 18.792 -6.433 1.00 36.57 N ATOM 1774 NH2 ARG A 174 26.208 18.018 -7.919 1.00 38.68 N ATOM 1775 HE ARG A 174 24.622 18.163 -6.071 1.00 0.00 H ATOM 1776 HH12 ARG A 174 28.492 18.769 -7.180 1.00 0.00 H ATOM 1777 HH11 ARG A 174 28.024 19.088 -5.470 1.00 0.00 H ATOM 1778 HH22 ARG A 174 26.932 17.994 -8.665 1.00 0.00 H ATOM 1779 HH21 ARG A 174 25.237 17.707 -8.126 1.00 0.00 H ATOM 1780 H ARG A 174 24.734 20.676 -0.010 1.00 0.00 H ATOM 1781 N LEU A 175 23.984 22.633 -2.579 1.00 30.84 N ATOM 1782 CA LEU A 175 23.555 23.792 -3.364 1.00 31.55 C ATOM 1783 C LEU A 175 24.629 24.860 -3.394 1.00 33.44 C ATOM 1784 O LEU A 175 24.859 25.487 -4.434 1.00 34.89 O ATOM 1785 CB LEU A 175 22.252 24.352 -2.810 1.00 32.13 C ATOM 1786 CG LEU A 175 21.102 23.347 -3.009 1.00 33.38 C ATOM 1787 CD1 LEU A 175 19.863 23.839 -2.277 1.00 36.80 C ATOM 1788 CD2 LEU A 175 20.780 23.103 -4.469 1.00 32.33 C ATOM 1789 H LEU A 175 23.453 22.362 -1.727 1.00 0.00 H ATOM 1790 N PHE A 176 25.283 25.099 -2.260 1.00 33.48 N ATOM 1791 CA PHE A 176 26.397 26.028 -2.220 1.00 35.73 C ATOM 1792 C PHE A 176 27.508 25.593 -3.165 1.00 33.80 C ATOM 1793 O PHE A 176 28.121 26.425 -3.847 1.00 34.43 O ATOM 1794 CB PHE A 176 26.932 26.117 -0.784 1.00 37.40 C ATOM 1795 CG PHE A 176 28.188 26.891 -0.665 1.00 36.59 C ATOM 1796 CD1 PHE A 176 28.158 28.276 -0.605 1.00 39.60 C ATOM 1797 CD2 PHE A 176 29.416 26.242 -0.640 1.00 40.34 C ATOM 1798 CE1 PHE A 176 29.335 29.018 -0.509 1.00 43.27 C ATOM 1799 CE2 PHE A 176 30.590 26.966 -0.552 1.00 43.60 C ATOM 1800 CZ PHE A 176 30.551 28.360 -0.482 1.00 46.56 C ATOM 1801 H PHE A 176 24.991 24.612 -1.389 1.00 0.00 H ATOM 1802 N THR A 177 27.810 24.294 -3.181 1.00 34.40 N ATOM 1803 CA THR A 177 28.877 23.791 -4.037 1.00 37.28 C ATOM 1804 C THR A 177 28.511 23.977 -5.503 1.00 32.16 C ATOM 1805 O THR A 177 29.352 24.371 -6.316 1.00 34.67 O ATOM 1806 CB THR A 177 29.132 22.318 -3.720 1.00 40.93 C ATOM 1807 OG1 THR A 177 29.581 22.219 -2.372 1.00 41.55 O ATOM 1808 CG2 THR A 177 30.214 21.724 -4.625 1.00 46.36 C ATOM 1809 HG1 THR A 177 28.886 22.581 -1.767 1.00 0.00 H ATOM 1810 H THR A 177 27.279 23.634 -2.577 1.00 0.00 H ATOM 1811 N ILE A 178 27.256 23.711 -5.860 1.00 31.18 N ATOM 1812 CA ILE A 178 26.822 23.953 -7.234 1.00 32.37 C ATOM 1813 C ILE A 178 26.999 25.423 -7.597 1.00 34.09 C ATOM 1814 O ILE A 178 27.562 25.761 -8.642 1.00 36.01 O ATOM 1815 CB ILE A 178 25.374 23.493 -7.424 1.00 29.80 C ATOM 1816 CG1 ILE A 178 25.304 21.975 -7.320 1.00 31.98 C ATOM 1817 CG2 ILE A 178 24.787 23.979 -8.817 1.00 29.37 C ATOM 1818 CD1 ILE A 178 23.902 21.438 -7.106 1.00 32.82 C ATOM 1819 H ILE A 178 26.585 23.331 -5.162 1.00 0.00 H ATOM 1820 N ARG A 179 26.510 26.326 -6.751 1.00 34.66 N ATOM 1821 CA ARG A 179 26.614 27.734 -7.101 1.00 34.30 C ATOM 1822 C ARG A 179 28.071 28.168 -7.224 1.00 35.26 C ATOM 1823 O ARG A 179 28.424 28.972 -8.098 1.00 34.53 O ATOM 1824 CB ARG A 179 25.897 28.572 -6.060 1.00 34.68 C ATOM 1825 CG ARG A 179 26.196 30.058 -6.070 1.00 44.96 C ATOM 1826 CD ARG A 179 25.317 30.776 -5.000 1.00 59.79 C ATOM 1827 NE ARG A 179 25.543 32.217 -4.999 1.00 78.72 N ATOM 1828 CZ ARG A 179 26.401 32.845 -4.200 1.00 94.00 C ATOM 1829 NH1 ARG A 179 27.117 32.160 -3.309 1.00 99.43 N ATOM 1830 NH2 ARG A 179 26.540 34.164 -4.297 1.00 95.92 N ATOM 1831 HE ARG A 179 24.995 32.793 -5.669 1.00 0.00 H ATOM 1832 HH12 ARG A 179 27.786 32.657 -2.687 1.00 0.00 H ATOM 1833 HH11 ARG A 179 27.007 31.128 -3.236 1.00 0.00 H ATOM 1834 HH22 ARG A 179 27.209 34.663 -3.676 1.00 0.00 H ATOM 1835 HH21 ARG A 179 25.980 34.696 -4.994 1.00 0.00 H ATOM 1836 H ARG A 179 26.063 26.032 -5.859 1.00 0.00 H ATOM 1837 N GLN A 180 28.920 27.659 -6.344 1.00 36.67 N ATOM 1838 CA GLN A 180 30.321 28.072 -6.354 1.00 48.21 C ATOM 1839 C GLN A 180 31.020 27.571 -7.606 1.00 36.33 C ATOM 1840 O GLN A 180 31.842 28.281 -8.192 1.00 40.36 O ATOM 1841 CB GLN A 180 31.046 27.539 -5.117 1.00 69.48 C ATOM 1842 CG GLN A 180 30.616 28.151 -3.796 1.00 80.96 C ATOM 1843 CD GLN A 180 31.133 29.566 -3.574 1.00 84.02 C ATOM 1844 OE1 GLN A 180 32.342 29.792 -3.408 1.00 89.71 O ATOM 1845 NE2 GLN A 180 30.212 30.525 -3.543 1.00 80.59 N ATOM 1846 HE22 GLN A 180 29.210 30.288 -3.687 1.00 0.00 H ATOM 1847 HE21 GLN A 180 30.494 31.512 -3.374 1.00 0.00 H ATOM 1848 H GLN A 180 28.589 26.964 -5.645 1.00 0.00 H ATOM 1849 N GLU A 181 30.745 26.330 -8.005 1.00 38.28 N ATOM 1850 CA GLU A 181 31.391 25.803 -9.204 1.00 38.54 C ATOM 1851 C GLU A 181 30.866 26.489 -10.464 1.00 38.18 C ATOM 1852 O GLU A 181 31.642 26.797 -11.378 1.00 39.83 O ATOM 1853 CB GLU A 181 31.199 24.293 -9.262 1.00 40.29 C ATOM 1854 CG GLU A 181 31.845 23.591 -10.462 1.00 46.41 C ATOM 1855 CD GLU A 181 33.368 23.712 -10.511 1.00 48.29 C ATOM 1856 OE1 GLU A 181 34.022 23.918 -9.437 1.00 48.38 O ATOM 1857 OE2 GLU A 181 33.912 23.607 -11.654 1.00 48.71 O ATOM 1858 H GLU A 181 30.076 25.742 -7.468 1.00 0.00 H ATOM 1859 N MET A 182 29.563 26.762 -10.526 1.00 35.87 N ATOM 1860 CA MET A 182 29.042 27.545 -11.634 1.00 36.39 C ATOM 1861 C MET A 182 29.741 28.888 -11.692 1.00 37.95 C ATOM 1862 O MET A 182 30.153 29.332 -12.770 1.00 44.47 O ATOM 1863 CB MET A 182 27.541 27.746 -11.497 1.00 35.28 C ATOM 1864 CG MET A 182 26.697 26.516 -11.776 1.00 34.14 C ATOM 1865 SD MET A 182 25.002 27.064 -11.670 1.00 38.55 S ATOM 1866 CE MET A 182 24.099 25.572 -12.123 1.00 36.20 C ATOM 1867 H MET A 182 28.921 26.416 -9.784 1.00 0.00 H ATOM 1868 N ALA A 183 29.932 29.524 -10.527 1.00 37.89 N ATOM 1869 CA ALA A 183 30.562 30.839 -10.499 1.00 40.99 C ATOM 1870 C ALA A 183 32.020 30.766 -10.943 1.00 42.47 C ATOM 1871 O ALA A 183 32.486 31.655 -11.660 1.00 46.05 O ATOM 1872 CB ALA A 183 30.429 31.465 -9.108 1.00 41.16 C ATOM 1873 H ALA A 183 29.629 29.077 -9.638 1.00 0.00 H ATOM 1874 N SER A 184 32.752 29.710 -10.560 1.00 42.39 N ATOM 1875 CA SER A 184 34.130 29.580 -11.039 1.00 49.56 C ATOM 1876 C SER A 184 34.178 29.429 -12.562 1.00 46.29 C ATOM 1877 O SER A 184 35.146 29.848 -13.190 1.00 47.71 O ATOM 1878 CB SER A 184 34.844 28.403 -10.383 1.00 60.76 C ATOM 1879 OG SER A 184 34.129 27.218 -10.595 1.00 68.35 O ATOM 1880 HG SER A 184 33.224 27.305 -10.203 1.00 0.00 H ATOM 1881 H SER A 184 32.345 28.990 -9.929 1.00 0.00 H ATOM 1882 N ARG A 185 33.165 28.811 -13.159 1.00 43.25 N ATOM 1883 CA ARG A 185 33.088 28.663 -14.612 1.00 44.27 C ATOM 1884 C ARG A 185 32.407 29.849 -15.297 1.00 45.24 C ATOM 1885 O ARG A 185 32.135 29.783 -16.507 1.00 46.97 O ATOM 1886 CB ARG A 185 32.344 27.351 -14.946 1.00 42.51 C ATOM 1887 CG ARG A 185 33.105 26.106 -14.521 1.00 42.58 C ATOM 1888 CD ARG A 185 32.244 24.881 -14.674 1.00 43.14 C ATOM 1889 NE ARG A 185 32.801 23.674 -14.064 1.00 42.73 N ATOM 1890 CZ ARG A 185 32.951 22.498 -14.685 1.00 45.52 C ATOM 1891 NH1 ARG A 185 32.620 22.331 -15.963 1.00 43.46 N ATOM 1892 NH2 ARG A 185 33.445 21.464 -14.020 1.00 46.53 N ATOM 1893 HE ARG A 185 33.104 23.734 -13.071 1.00 0.00 H ATOM 1894 HH12 ARG A 185 32.749 21.404 -16.417 1.00 0.00 H ATOM 1895 HH11 ARG A 185 32.232 23.127 -16.508 1.00 0.00 H ATOM 1896 HH22 ARG A 185 33.564 20.548 -14.497 1.00 0.00 H ATOM 1897 HH21 ARG A 185 33.714 21.569 -13.021 1.00 0.00 H ATOM 1898 H ARG A 185 32.400 28.419 -12.573 1.00 0.00 H ATOM 1899 N SER A 186 32.093 30.891 -14.541 1.00 45.37 N ATOM 1900 CA SER A 186 31.375 32.073 -14.983 1.00 46.78 C ATOM 1901 C SER A 186 30.021 31.720 -15.600 1.00 45.80 C ATOM 1902 O SER A 186 29.547 32.381 -16.530 1.00 47.63 O ATOM 1903 CB SER A 186 32.269 32.908 -15.925 1.00 51.39 C ATOM 1904 OG SER A 186 33.511 33.198 -15.236 1.00 51.50 O ATOM 1905 HG SER A 186 34.097 33.734 -15.827 1.00 0.00 H ATOM 1906 H SER A 186 32.387 30.859 -13.544 1.00 0.00 H ATOM 1907 N LEU A 187 29.359 30.700 -15.038 1.00 44.47 N ATOM 1908 CA LEU A 187 28.035 30.278 -15.483 1.00 44.83 C ATOM 1909 C LEU A 187 26.933 30.823 -14.600 1.00 43.59 C ATOM 1910 O LEU A 187 25.759 30.741 -14.978 1.00 42.32 O ATOM 1911 CB LEU A 187 27.933 28.743 -15.458 1.00 40.79 C ATOM 1912 CG LEU A 187 28.846 28.032 -16.460 1.00 44.69 C ATOM 1913 CD1 LEU A 187 28.969 26.560 -16.119 1.00 43.15 C ATOM 1914 CD2 LEU A 187 28.335 28.231 -17.925 1.00 50.74 C ATOM 1915 H LEU A 187 29.807 30.188 -14.252 1.00 0.00 H ATOM 1916 N TRP A 188 27.285 31.327 -13.410 1.00 42.84 N ATOM 1917 CA TRP A 188 26.274 31.542 -12.383 1.00 41.05 C ATOM 1918 C TRP A 188 25.366 32.702 -12.758 1.00 45.19 C ATOM 1919 O TRP A 188 24.144 32.627 -12.567 1.00 46.68 O ATOM 1920 CB TRP A 188 26.950 31.814 -11.020 1.00 43.30 C ATOM 1921 CG TRP A 188 25.996 32.265 -10.018 1.00 43.19 C ATOM 1922 CD1 TRP A 188 25.880 33.531 -9.522 1.00 49.38 C ATOM 1923 CD2 TRP A 188 24.987 31.483 -9.373 1.00 41.85 C ATOM 1924 NE1 TRP A 188 24.856 33.590 -8.617 1.00 49.81 N ATOM 1925 CE2 TRP A 188 24.301 32.344 -8.488 1.00 44.29 C ATOM 1926 CE3 TRP A 188 24.594 30.143 -9.456 1.00 39.97 C ATOM 1927 CZ2 TRP A 188 23.245 31.918 -7.705 1.00 43.86 C ATOM 1928 CZ3 TRP A 188 23.538 29.713 -8.668 1.00 41.38 C ATOM 1929 CH2 TRP A 188 22.876 30.601 -7.800 1.00 42.58 C ATOM 1930 HE1 TRP A 188 24.548 34.443 -8.109 1.00 0.00 H ATOM 1931 H TRP A 188 28.279 31.565 -13.219 1.00 0.00 H ATOM 1932 N ASP A 189 25.954 33.781 -13.300 1.00 55.99 N ATOM 1933 CA ASP A 189 25.183 34.971 -13.636 1.00 72.71 C ATOM 1934 C ASP A 189 24.016 34.620 -14.552 1.00 64.53 C ATOM 1935 O ASP A 189 22.858 34.926 -14.254 1.00 64.16 O ATOM 1936 CB ASP A 189 26.089 36.017 -14.304 1.00 79.72 C ATOM 1937 CG ASP A 189 27.225 36.507 -13.397 1.00 72.07 C ATOM 1938 OD1 ASP A 189 27.094 36.435 -12.149 1.00 70.81 O ATOM 1939 OD2 ASP A 189 28.253 36.989 -13.945 1.00 67.77 O ATOM 1940 H ASP A 189 26.978 33.767 -13.483 1.00 0.00 H ATOM 1941 N SER A 190 24.312 33.993 -15.690 1.00 58.08 N ATOM 1942 CA SER A 190 23.263 33.572 -16.611 1.00 55.17 C ATOM 1943 C SER A 190 22.301 32.594 -15.937 1.00 52.63 C ATOM 1944 O SER A 190 21.093 32.616 -16.197 1.00 54.95 O ATOM 1945 CB SER A 190 23.901 32.961 -17.865 1.00 54.78 C ATOM 1946 OG SER A 190 22.915 32.489 -18.758 1.00 57.06 O ATOM 1947 HG SER A 190 22.333 33.241 -19.033 1.00 0.00 H ATOM 1948 H SER A 190 25.307 33.801 -15.925 1.00 0.00 H ATOM 1949 N PHE A 191 22.807 31.731 -15.060 1.00 48.44 N ATOM 1950 CA PHE A 191 21.933 30.744 -14.431 1.00 46.81 C ATOM 1951 C PHE A 191 20.964 31.400 -13.448 1.00 48.04 C ATOM 1952 O PHE A 191 19.759 31.116 -13.468 1.00 49.39 O ATOM 1953 CB PHE A 191 22.767 29.671 -13.721 1.00 40.79 C ATOM 1954 CG PHE A 191 21.944 28.651 -13.010 1.00 36.51 C ATOM 1955 CD1 PHE A 191 21.259 27.668 -13.724 1.00 38.33 C ATOM 1956 CD2 PHE A 191 21.845 28.674 -11.641 1.00 35.04 C ATOM 1957 CE1 PHE A 191 20.489 26.708 -13.057 1.00 40.01 C ATOM 1958 CE2 PHE A 191 21.100 27.710 -10.930 1.00 36.78 C ATOM 1959 CZ PHE A 191 20.395 26.721 -11.657 1.00 37.66 C ATOM 1960 H PHE A 191 23.819 31.759 -14.824 1.00 0.00 H ATOM 1961 N ARG A 192 21.476 32.273 -12.575 1.00 51.07 N ATOM 1962 CA ARG A 192 20.630 32.923 -11.572 1.00 58.20 C ATOM 1963 C ARG A 192 19.514 33.735 -12.214 1.00 62.03 C ATOM 1964 O ARG A 192 18.351 33.641 -11.806 1.00 65.65 O ATOM 1965 CB ARG A 192 21.459 33.847 -10.674 1.00 64.87 C ATOM 1966 CG ARG A 192 20.640 34.455 -9.521 1.00 71.76 C ATOM 1967 CD ARG A 192 21.423 35.451 -8.708 1.00 79.83 C ATOM 1968 NE ARG A 192 21.805 36.598 -9.524 1.00 89.97 N ATOM 1969 CZ ARG A 192 21.022 37.649 -9.753 1.00 97.37 C ATOM 1970 NH1 ARG A 192 19.804 37.707 -9.222 1.00104.44 N ATOM 1971 NH2 ARG A 192 21.460 38.644 -10.519 1.00 97.22 N ATOM 1972 HE ARG A 192 22.751 36.594 -9.955 1.00 0.00 H ATOM 1973 HH12 ARG A 192 19.196 38.531 -9.404 1.00 0.00 H ATOM 1974 HH11 ARG A 192 19.460 36.929 -8.625 1.00 0.00 H ATOM 1975 HH22 ARG A 192 20.851 39.467 -10.700 1.00 0.00 H ATOM 1976 HH21 ARG A 192 22.411 38.599 -10.937 1.00 0.00 H ATOM 1977 H ARG A 192 22.492 32.494 -12.609 1.00 0.00 H ATOM 1978 N GLN A 193 19.860 34.588 -13.178 1.00 67.26 N ATOM 1979 CA GLN A 193 18.872 35.468 -13.783 1.00 73.84 C ATOM 1980 C GLN A 193 17.950 34.737 -14.748 1.00 75.91 C ATOM 1981 O GLN A 193 16.926 35.295 -15.137 1.00 74.63 O ATOM 1982 CB GLN A 193 19.589 36.628 -14.478 1.00 81.98 C ATOM 1983 CG GLN A 193 20.401 37.499 -13.493 1.00 80.25 C ATOM 1984 CD GLN A 193 21.279 38.552 -14.171 1.00 79.53 C ATOM 1985 OE1 GLN A 193 20.954 39.055 -15.249 1.00 79.35 O ATOM 1986 NE2 GLN A 193 22.404 38.882 -13.536 1.00 81.18 N ATOM 1987 HE22 GLN A 193 22.640 38.433 -12.628 1.00 0.00 H ATOM 1988 HE21 GLN A 193 23.046 39.589 -13.949 1.00 0.00 H ATOM 1989 H GLN A 193 20.848 34.625 -13.501 1.00 0.00 H ATOM 1990 N SER A 194 18.258 33.494 -15.100 1.00 74.09 N ATOM 1991 CA SER A 194 17.433 32.707 -16.006 1.00 73.63 C ATOM 1992 C SER A 194 16.141 32.184 -15.375 1.00 69.21 C ATOM 1993 O SER A 194 15.302 31.632 -16.094 1.00 71.83 O ATOM 1994 CB SER A 194 18.253 31.528 -16.533 1.00 72.00 C ATOM 1995 OG SER A 194 17.504 30.746 -17.430 1.00 76.01 O ATOM 1996 HG SER A 194 16.703 30.392 -16.968 1.00 0.00 H ATOM 1997 H SER A 194 19.123 33.065 -14.713 1.00 0.00 H ATOM 1998 N GLU A 195 15.955 32.315 -14.066 1.00 65.88 N ATOM 1999 CA GLU A 195 14.711 31.868 -13.453 1.00 63.23 C ATOM 2000 C GLU A 195 13.649 32.963 -13.572 1.00 72.54 C ATOM 2001 O GLU A 195 12.463 32.671 -13.741 1.00 73.70 O ATOM 2002 CB GLU A 195 14.930 31.489 -11.992 1.00 60.09 C ATOM 2003 CG GLU A 195 13.781 30.690 -11.374 1.00 58.44 C ATOM 2004 CD GLU A 195 14.052 30.288 -9.938 1.00 56.00 C ATOM 2005 OE1 GLU A 195 15.230 30.092 -9.594 1.00 50.97 O ATOM 2006 OE2 GLU A 195 13.094 30.173 -9.145 1.00 59.60 O ATOM 2007 H GLU A 195 16.700 32.738 -13.477 1.00 0.00 H TER 2008 GLU A 195 HETATM 2009 MN MN A 1 9.327 20.206 -7.078 1.00 31.21 MN HETATM 2010 MN MN A 2 8.136 17.449 -9.209 1.00 49.58 MN HETATM 2011 MN MN A 3 16.835 -0.046 0.020 1.00 64.05 MN HETATM 2012 O HOH 4 19.580 17.427 -27.397 1.00 56.12 O HETATM 2013 O HOH 5 22.851 34.181 -20.139 1.00 47.15 O HETATM 2014 O HOH 6 17.330 27.119 -20.196 1.00 43.25 O HETATM 2015 O HOH 7 25.066 37.293 -11.539 1.00 69.96 O HETATM 2016 O HOH 8 22.691 12.404 0.050 1.00 40.56 O HETATM 2017 O HOH 9 15.988 0.683 -1.749 1.00 52.36 O HETATM 2018 O HOH 10 8.160 17.495 10.924 1.00 37.04 O HETATM 2019 O HOH 11 9.360 -4.755 12.421 1.00 38.97 O HETATM 2020 O HOH 12 7.143 15.554 5.397 1.00 28.75 O HETATM 2021 O HOH 13 33.718 21.217 -24.002 1.00 48.37 O HETATM 2022 O HOH 14 -5.424 14.118 -9.220 1.00 44.42 O HETATM 2023 O HOH 15 24.884 14.156 -8.541 1.00 39.31 O HETATM 2024 O HOH 16 10.288 25.144 -10.247 1.00 50.15 O HETATM 2025 O HOH 17 7.418 12.267 -11.552 1.00 54.84 O HETATM 2026 O HOH 18 20.207 33.168 -5.846 1.00 49.17 O HETATM 2027 O HOH 19 -1.561 19.135 -6.222 1.00 45.90 O HETATM 2028 O HOH 20 9.567 14.643 10.534 1.00 33.96 O HETATM 2029 O HOH 21 21.537 13.630 8.721 1.00 64.33 O HETATM 2030 O HOH 22 10.053 5.713 -4.328 1.00 33.33 O HETATM 2031 O HOH 23 6.413 18.072 -8.284 1.00 30.73 O HETATM 2032 O HOH 24 15.634 13.543 10.720 1.00 84.94 O HETATM 2033 O HOH 25 -1.214 2.333 -8.971 1.00 43.69 O HETATM 2034 O HOH 26 26.962 13.001 -15.544 1.00 37.66 O HETATM 2035 O HOH 27 16.494 26.621 -9.107 1.00 44.47 O HETATM 2036 O HOH 28 18.496 26.261 1.200 1.00 41.29 O HETATM 2037 O HOH 29 10.120 -1.269 9.190 1.00 53.72 O HETATM 2038 O HOH 30 4.662 17.350 11.583 1.00 40.52 O HETATM 2039 O HOH 31 26.424 12.495 -19.873 1.00 66.12 O HETATM 2040 O HOH 32 14.350 9.391 9.051 1.00 70.06 O HETATM 2041 O HOH 33 18.763 12.971 3.836 1.00 35.10 O HETATM 2042 O HOH 34 9.240 20.230 5.393 1.00 31.01 O HETATM 2043 O HOH 35 -1.301 14.339 4.258 1.00 53.08 O HETATM 2044 O HOH 36 13.006 13.690 10.373 1.00 39.27 O HETATM 2045 O HOH 37 12.539 16.183 -13.267 1.00 42.17 O HETATM 2046 O HOH 38 14.331 23.184 -27.022 1.00 58.55 O HETATM 2047 O HOH 39 20.178 8.991 -3.860 1.00 59.55 O HETATM 2048 O HOH 40 2.181 14.942 9.755 1.00 45.08 O HETATM 2049 O HOH 41 25.116 22.702 -24.795 1.00 40.83 O HETATM 2050 O HOH 42 28.240 33.689 -6.399 1.00 63.53 O HETATM 2051 O HOH 43 24.798 29.786 -17.434 1.00 34.90 O HETATM 2052 O HOH 44 7.176 15.462 -9.357 1.00 28.29 O HETATM 2053 O HOH 45 4.339 18.194 -11.015 1.00 39.01 O HETATM 2054 O HOH 46 13.865 17.837 -11.484 1.00 26.80 O HETATM 2055 O HOH 47 1.221 16.857 -12.405 1.00 35.58 O HETATM 2056 O HOH 48 -0.364 17.245 5.453 1.00 57.37 O HETATM 2057 O HOH 49 33.385 30.248 -6.973 1.00 54.31 O HETATM 2058 O HOH 50 1.147 19.904 5.622 1.00 54.67 O HETATM 2059 O HOH 51 26.428 17.902 0.706 1.00 50.27 O HETATM 2060 O HOH 52 13.693 7.368 2.349 1.00 34.39 O HETATM 2061 O HOH 53 21.599 11.194 -3.745 1.00 56.49 O HETATM 2062 O HOH 54 22.440 10.914 -20.137 1.00 51.86 O HETATM 2063 O HOH 55 15.988 23.870 -9.446 1.00 42.36 O HETATM 2064 O HOH 56 32.056 24.148 -5.565 1.00 48.12 O HETATM 2065 O HOH 57 2.860 20.780 10.351 1.00 49.28 O HETATM 2066 O HOH 58 34.072 25.193 -6.913 1.00 51.29 O HETATM 2067 O HOH 59 21.881 13.514 1.770 1.00 43.64 O HETATM 2068 O HOH 60 33.224 24.188 -20.349 1.00 39.66 O HETATM 2069 O HOH 61 23.899 10.495 -18.195 1.00 46.10 O HETATM 2070 O HOH 62 -0.362 15.207 1.597 1.00 36.00 O HETATM 2071 O HOH 63 8.982 2.511 1.725 1.00 46.93 O HETATM 2072 O HOH 64 2.491 27.871 6.115 1.00 53.05 O HETATM 2073 O HOH 65 17.422 26.093 10.334 1.00 33.19 O HETATM 2074 O HOH 66 8.291 16.333 -13.101 1.00 40.67 O HETATM 2075 O HOH 67 3.024 19.787 -6.461 1.00 41.19 O HETATM 2076 O HOH 68 31.777 24.332 -17.859 1.00 35.67 O HETATM 2077 O HOH 69 1.232 18.365 -5.599 1.00 43.72 O HETATM 2078 O HOH 70 4.817 23.472 12.932 1.00 50.06 O HETATM 2079 O HOH 71 17.435 19.318 13.848 1.00 35.82 O HETATM 2080 O HOH 72 18.972 10.827 -23.732 1.00108.20 O HETATM 2081 O HOH 73 18.257 8.074 13.648 1.00 51.00 O HETATM 2082 O HOH 74 9.490 6.074 -14.886 1.00 34.85 O HETATM 2083 O HOH 75 29.037 18.251 -3.857 1.00 38.32 O HETATM 2084 O HOH 76 10.312 22.660 -18.382 1.00 72.71 O HETATM 2085 O HOH 77 0.894 17.725 7.702 1.00 52.11 O HETATM 2086 O HOH 78 26.016 13.982 6.773 1.00 71.93 O HETATM 2087 O HOH 79 32.206 16.611 -20.112 1.00 72.87 O HETATM 2088 O HOH 80 28.888 34.017 -13.042 1.00 47.09 O HETATM 2089 O HOH 81 12.062 7.116 -14.727 1.00 53.62 O HETATM 2090 O HOH 82 35.165 27.810 -17.269 1.00 42.30 O HETATM 2091 O HOH 83 6.256 21.239 -9.361 1.00 44.25 O HETATM 2092 O HOH 84 7.207 17.943 -11.150 1.00 31.07 O HETATM 2093 O HOH 85 3.578 20.850 -9.064 1.00 93.45 O HETATM 2094 O HOH 86 36.280 20.795 -16.679 1.00 77.64 O HETATM 2095 O HOH 87 18.824 5.697 1.278 1.00 60.44 O HETATM 2096 O HOH 88 -0.377 21.355 6.231 1.00 75.68 O HETATM 2097 O HOH 89 7.518 23.129 13.653 1.00 64.88 O HETATM 2098 O HOH 90 -2.676 3.123 -10.815 1.00 44.00 O HETATM 2099 O HOH 91 -2.012 6.241 6.869 1.00 74.94 O HETATM 2100 O HOH 92 6.775 11.653 -18.751 1.00 51.27 O HETATM 2101 O HOH 93 9.880 4.412 -16.850 1.00 56.51 O HETATM 2102 O HOH 94 -1.443 1.990 -13.407 1.00 48.63 O HETATM 2103 O HOH 95 30.212 19.382 -8.336 1.00 43.74 O HETATM 2104 O HOH 96 28.634 19.303 -1.619 1.00 48.66 O HETATM 2105 O HOH 97 35.360 20.804 -11.335 1.00 84.55 O HETATM 2106 O HOH 98 12.371 11.155 -16.128 1.00 53.46 O HETATM 2107 O HOH 99 23.857 13.293 -4.372 1.00 56.60 O HETATM 2108 O HOH 100 36.218 21.609 -8.791 1.00 63.15 O HETATM 2109 O HOH 101 29.652 34.919 -10.830 1.00 58.32 O HETATM 2110 O HOH 102 -6.638 6.359 -5.618 1.00 62.45 O HETATM 2111 O HOH 103 23.787 35.715 -6.318 1.00 58.76 O HETATM 2112 O HOH 104 -2.214 15.686 -0.833 1.00 73.25 O HETATM 2113 O HOH 105 2.398 11.783 11.908 1.00 63.72 O HETATM 2114 O HOH 106 10.903 10.692 -17.972 1.00 50.00 O HETATM 2115 O HOH 107 4.497 11.137 13.209 1.00 77.33 O HETATM 2116 O HOH 108 23.193 12.162 -6.009 1.00 84.35 O HETATM 2117 O HOH 109 3.501 27.922 12.964 1.00 60.77 O HETATM 2118 O HOH 110 0.907 19.880 9.079 1.00 58.02 O HETATM 2119 O HOH 111 5.503 29.734 6.047 1.00 87.06 O HETATM 2120 O HOH 112 18.113 5.377 -0.889 1.00 49.93 O HETATM 2121 O HOH 113 31.906 18.913 -10.496 1.00 35.79 O HETATM 2122 O HOH 114 6.753 14.756 -11.825 1.00 53.09 O HETATM 2123 O HOH 115 4.007 29.145 11.337 1.00 64.11 O HETATM 2124 O HOH 116 19.278 0.000 0.000 1.00137.57 O HETATM 2125 O HOH 117 2.409 22.438 12.308 1.00 76.29 O HETATM 2126 O HOH 118 -7.879 3.843 4.070 1.00 60.55 O HETATM 2127 O HOH 119 26.283 11.552 -17.701 1.00 45.08 O HETATM 2128 O HOH 120 22.142 35.118 -5.015 1.00 70.81 O HETATM 2129 O HOH 121 27.741 17.463 3.153 1.00 52.60 O HETATM 2130 O HOH 122 14.712 23.302 -29.932 1.00 54.50 O HETATM 2131 C10 KKS A 123 10.395 18.191 -18.323 1.00 -0.06 C HETATM 2132 C11 KKS A 123 9.211 18.776 -18.015 1.00 -0.06 C HETATM 2133 C12 KKS A 123 9.010 19.356 -16.726 1.00 -0.02 C HETATM 2134 C07 KKS A 123 10.026 19.334 -15.768 1.00 -0.01 C HETATM 2135 C06 KKS A 123 9.807 19.901 -14.515 1.00 -0.03 C HETATM 2136 C05 KKS A 123 10.896 19.891 -13.492 1.00 0.01 C HETATM 2137 C04 KKS A 123 10.537 20.415 -12.189 1.00 -0.01 C HETATM 2138 C03 KKS A 123 9.805 19.584 -11.275 1.00 -0.03 C HETATM 2139 C02 KKS A 123 9.498 20.100 -10.044 1.00 0.15 C HETATM 2140 O01 KKS A 123 8.841 19.495 -9.072 1.00 -0.33 O HETATM 2141 H3 KKS A 123 8.768 20.081 -8.328 1.00 0.25 H HETATM 2142 C29 KKS A 123 9.845 21.453 -9.600 1.00 0.24 C HETATM 2143 N28 KKS A 123 10.538 22.186 -10.539 1.00 -0.23 N HETATM 2144 C16 KKS A 123 10.855 21.690 -11.776 1.00 0.09 C HETATM 2145 C17 KKS A 123 11.601 22.708 -12.524 1.00 0.01 C HETATM 2146 C18 KKS A 123 11.220 23.093 -13.833 1.00 -0.05 C HETATM 2147 C19 KKS A 123 11.949 24.079 -14.504 1.00 -0.05 C HETATM 2148 C20 KKS A 123 13.063 24.690 -13.844 1.00 0.04 C HETATM 2149 C21 KKS A 123 13.806 25.743 -14.545 1.00 0.18 C HETATM 2150 N22 KKS A 123 13.564 26.154 -15.863 1.00 -0.15 N HETATM 2151 N23 KKS A 123 14.443 27.179 -16.155 1.00 -0.07 N HETATM 2152 N24 KKS A 123 15.155 27.379 -15.106 1.00 -0.14 N HETATM 2153 N25 KKS A 123 14.799 26.539 -14.073 1.00 -0.21 N HETATM 2154 H14 KKS A 123 12.857 25.762 -16.500 1.00 0.27 H HETATM 2155 C26 KKS A 123 13.419 24.309 -12.515 1.00 -0.05 C HETATM 2156 C27 KKS A 123 12.689 23.327 -11.869 1.00 -0.05 C HETATM 2157 H16 KKS A 123 12.952 23.032 -10.860 1.00 0.06 H HETATM 2158 H15 KKS A 123 14.255 24.785 -12.016 1.00 0.06 H HETATM 2159 H13 KKS A 123 11.675 24.377 -15.510 1.00 0.06 H HETATM 2160 H12 KKS A 123 10.367 22.625 -14.312 1.00 0.06 H HETATM 2161 H17 KKS A 123 10.821 23.117 -10.308 1.00 0.24 H HETATM 2162 O30 KKS A 123 9.585 21.979 -8.530 1.00 -0.41 O HETATM 2163 H4 KKS A 123 9.503 18.575 -11.552 1.00 0.05 H HETATM 2164 H5 KKS A 123 11.226 18.850 -13.359 1.00 0.06 H HETATM 2165 H6 KKS A 123 11.731 20.493 -13.880 1.00 0.06 H HETATM 2166 C15 KKS A 123 8.598 20.484 -14.230 1.00 -0.06 C HETATM 2167 C14 KKS A 123 7.558 20.516 -15.189 1.00 -0.07 C HETATM 2168 C13 KKS A 123 7.751 19.954 -16.414 1.00 -0.06 C HETATM 2169 H9 KKS A 123 6.954 19.960 -17.148 1.00 0.05 H HETATM 2170 H10 KKS A 123 6.611 20.986 -14.949 1.00 0.06 H HETATM 2171 H11 KKS A 123 8.437 20.927 -13.254 1.00 0.05 H HETATM 2172 C08 KKS A 123 11.242 18.731 -16.120 1.00 -0.05 C HETATM 2173 C09 KKS A 123 11.423 18.176 -17.364 1.00 -0.06 C HETATM 2174 H8 KKS A 123 12.375 17.719 -17.610 1.00 0.06 H HETATM 2175 H7 KKS A 123 12.052 18.702 -15.400 1.00 0.06 H HETATM 2176 H2 KKS A 123 8.415 18.803 -18.750 1.00 0.06 H HETATM 2177 H1 KKS A 123 10.547 17.740 -19.297 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 431 429 430 2009 CONECT 744 742 743 2011 CONECT 810 809 2010 CONECT 1080 1079 2010 CONECT 1081 1079 2009 CONECT 1209 1207 2009 CONECT 1214 1213 2009 CONECT 2009 431 1081 1209 1214 CONECT 2010 810 1080 CONECT 2011 744 CONECT 2131 2132 2173 2177 CONECT 2132 2131 2133 2176 CONECT 2133 2132 2134 2168 CONECT 2134 2133 2135 2172 CONECT 2135 2134 2136 2166 CONECT 2136 2135 2137 2164 2165 CONECT 2137 2136 2138 2144 CONECT 2138 2137 2139 2163 CONECT 2139 2138 2140 2142 CONECT 2140 2139 2141 CONECT 2141 2140 CONECT 2142 2139 2143 2162 CONECT 2143 2142 2144 2161 CONECT 2144 2137 2143 2145 CONECT 2145 2144 2146 2156 CONECT 2146 2145 2147 2160 CONECT 2147 2146 2148 2159 CONECT 2148 2147 2149 2155 CONECT 2149 2148 2150 2153 CONECT 2150 2149 2151 2154 CONECT 2151 2150 2152 CONECT 2152 2151 2153 CONECT 2153 2149 2152 CONECT 2154 2150 CONECT 2155 2148 2156 2158 CONECT 2156 2145 2155 2157 CONECT 2157 2156 CONECT 2158 2155 CONECT 2159 2147 CONECT 2160 2146 CONECT 2161 2143 CONECT 2162 2142 CONECT 2163 2138 CONECT 2164 2136 CONECT 2165 2136 CONECT 2166 2135 2167 2171 CONECT 2167 2166 2168 2170 CONECT 2168 2133 2167 2169 CONECT 2169 2168 CONECT 2170 2167 CONECT 2171 2166 CONECT 2172 2134 2173 2175 CONECT 2173 2131 2172 2174 CONECT 2174 2173 CONECT 2175 2172 CONECT 2176 2132 CONECT 2177 2131 MASTER 0 0 0 0 0 0 0 0 2176 1 61 16 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6nem
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4avg
RCSB PDB
PDBbind
204aa, >4AVG_1|Chains... at 97%
4awf
RCSB PDB
PDBbind
204aa, >4AWF_1|Chains... at 97%
4awg
RCSB PDB
PDBbind
204aa, >4AWG_1|Chains... at 97%
4awm
RCSB PDB
PDBbind
192aa, >4AWM_1|Chain... at 96%
4e5f
RCSB PDB
PDBbind
187aa, >4E5F_1|Chains... at 91%
4e5g
RCSB PDB
PDBbind
187aa, >4E5G_1|Chains... at 91%
4e5h
RCSB PDB
PDBbind
187aa, >4E5H_1|Chains... at 91%
4e5i
RCSB PDB
PDBbind
187aa, >4E5I_1|Chains... at 91%
4e5j
RCSB PDB
PDBbind
187aa, >4E5J_1|Chains... at 91%
4kil
RCSB PDB
PDBbind
213aa, >4KIL_1|Chain... at 98%
4ln7
RCSB PDB
PDBbind
209aa, >4LN7_1|Chain... at 100%
4m4q
RCSB PDB
PDBbind
241aa, >4M4Q_1|Chain... *
4m5o
RCSB PDB
PDBbind
241aa, >4M5O_1|Chain... at 100%
4m5r
RCSB PDB
PDBbind
241aa, >4M5R_1|Chain... at 100%
4m5u
RCSB PDB
PDBbind
241aa, >4M5U_1|Chain... at 100%
4mk1
RCSB PDB
PDBbind
241aa, >4MK1_1|Chain... at 100%
4mk2
RCSB PDB
PDBbind
241aa, >4MK2_1|Chain... at 100%
4mk5
RCSB PDB
PDBbind
241aa, >4MK5_1|Chain... at 100%
4w9s
RCSB PDB
PDBbind
241aa, >4W9S_1|Chain... at 100%
5cgv
RCSB PDB
PDBbind
187aa, >5CGV_1|Chain... at 94%
5ega
RCSB PDB
PDBbind
187aa, >5EGA_1|Chain... at 94%
5w44
RCSB PDB
PDBbind
178aa, >5W44_1|Chain... at 98%
5w73
RCSB PDB
PDBbind
197aa, >5W73_1|Chain... at 93%
5w7u
RCSB PDB
PDBbind
197aa, >5W7U_1|Chain... at 93%
5w92
RCSB PDB
PDBbind
197aa, >5W92_1|Chain... at 93%
5w9g
RCSB PDB
PDBbind
197aa, >5W9G_1|Chain... at 93%
5wa7
RCSB PDB
PDBbind
197aa, >5WA7_1|Chain... at 93%
5wap
RCSB PDB
PDBbind
197aa, >5WAP_1|Chain... at 93%
5wb3
RCSB PDB
PDBbind
197aa, >5WB3_1|Chain... at 93%
5wdc
RCSB PDB
PDBbind
197aa, >5WDC_1|Chain... at 93%
5wdw
RCSB PDB
PDBbind
197aa, >5WDW_1|Chain... at 93%
5we9
RCSB PDB
PDBbind
187aa, >5WE9_1|Chain... at 94%
5web
RCSB PDB
PDBbind
197aa, >5WEB_1|Chain... at 93%
5wef
RCSB PDB
PDBbind
187aa, >5WEF_1|Chain... at 93%
5wei
RCSB PDB
PDBbind
197aa, >5WEI_1|Chain... at 92%
5wf3
RCSB PDB
PDBbind
197aa, >5WF3_1|Chain... at 92%
5wfm
RCSB PDB
PDBbind
197aa, >5WFM_1|Chain... at 92%
5wfw
RCSB PDB
PDBbind
197aa, >5WFW_1|Chain... at 92%
5wfz
RCSB PDB
PDBbind
197aa, >5WFZ_1|Chain... at 92%
5wg9
RCSB PDB
PDBbind
197aa, >5WG9_1|Chain... at 92%
6dcy
RCSB PDB
PDBbind
192aa, >6DCY_1|Chain... at 96%
6dcz
RCSB PDB
PDBbind
192aa, >6DCZ_1|Chain... at 96%
6dzq
RCSB PDB
PDBbind
192aa, >6DZQ_1|Chain... at 96%
6e0q
RCSB PDB
PDBbind
192aa, >6E0Q_1|Chain... at 96%
6nel
RCSB PDB
PDBbind
241aa, >6NEL_1|Chain... at 100%
6e6w
RCSB PDB
PDBbind
192aa, >6E6W_1|Chain... at 96%
6e6v
RCSB PDB
PDBbind
192aa, >6E6V_1|Chain... at 96%
6e4c
RCSB PDB
PDBbind
192aa, >6E4C_1|Chain... at 96%
6e3p
RCSB PDB
PDBbind
192aa, >6E3P_1|Chain... at 96%
6e3n
RCSB PDB
PDBbind
192aa, >6E3N_1|Chain... at 96%
6e3o
RCSB PDB
PDBbind
192aa, >6E3O_1|Chain... at 96%
6e3m
RCSB PDB
PDBbind
192aa, >6E3M_1|Chain... at 96%
5wa6
RCSB PDB
PDBbind
197aa, >5WA6_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6nem
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
influenza 2009 pH1N1 endonuclease
Ligand Name
KKS
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
IC50=12nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chemmedchem Vol. 14: pp. 1204-1223
Ligand Properties
Formula
C
2
3
H
1
7
N
5
O
2
Molecular Weight
395.413
Exact Mass
395.138
No. of atoms
47
No. of bonds
51
Polar Surface Area
107.55
LOGP Value
3.71 (
Computed with XLOGP3
)
3.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
O=c1[nH]c(c2ccc(cc2)c2nnn[nH]2)c(cc1O)Cc1cccc2c1cccc2
InChI String
InChI=1S/C23H17N5O2/c29-20-13-18(12-17-6-3-5-14-4-1-2-7-19(14)17)21(24-23(20)30)15-8-10-16(11-9-15)22-25-27-28-26-22/h1-11,13,29H,12H2,(H,24,30)(H,25,26,27,28)
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):
C6H0Y9
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2025 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com