Browse entries in the PDBbind-CN Database
HEADER 3T0W_COMPLEX COMPND 3T0W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 PCA PRO VAL LEU THR GLN SER PRO SER VAL SER GLY THR SEQRES 2 A 111 PRO GLY GLN LYS VAL THR ILE PHE CYS SER GLY SER SER SEQRES 3 A 111 SER ASN VAL GLU ASP ASN SER VAL TYR TRP TYR GLN GLN SEQRES 4 A 111 PHE PRO GLY THR THR PRO LYS VAL LEU ILE TYR ASN ASP SEQRES 5 A 111 ASP ARG ARG SER SER GLY VAL PRO ASP ARG PHE SER GLY SEQRES 6 A 111 SER LYS SER GLY THR SER ALA SER LEU ALA ILE SER GLY SEQRES 7 A 111 LEU ARG SER GLU ASP GLU ALA ASP TYR TYR CYS LEU SER SEQRES 8 A 111 TRP ASP ASP SER LEU ASN GLY TRP VAL PHE GLY GLY GLY SEQRES 9 A 111 THR LYS VAL THR VAL LEU ASP HET PCA A 1 13 HET DIW A 359 61 SSBOND 1 CYS A 23 CYS A 88 HETATM 1 N PCA A 1 -6.910 5.197 -27.702 1.00 20.72 N HETATM 2 CA PCA A 1 -6.900 6.130 -26.583 1.00 18.28 C HETATM 3 C PCA A 1 -8.283 6.288 -25.982 1.00 14.05 C HETATM 4 O PCA A 1 -9.290 6.007 -26.636 1.00 16.53 O HETATM 5 CB PCA A 1 -6.334 7.486 -26.998 1.00 20.27 C HETATM 6 CG PCA A 1 -5.756 7.298 -28.390 1.00 22.24 C HETATM 7 CD PCA A 1 -6.218 5.914 -28.767 1.00 23.01 C HETATM 8 OE PCA A 1 -6.019 5.430 -29.884 1.00 25.14 O HETATM 9 HG2 PCA A 1 -4.668 7.357 -28.374 1.00 0.00 H HETATM 10 HG1 PCA A 1 -6.148 8.044 -29.081 1.00 0.00 H HETATM 11 HB2 PCA A 1 -5.554 7.798 -26.304 1.00 0.00 H HETATM 12 HB1 PCA A 1 -7.125 8.236 -27.015 1.00 0.00 H HETATM 13 HA PCA A 1 -6.247 5.711 -25.817 1.00 0.00 H ATOM 14 N PRO A 2 -8.343 6.731 -24.719 1.00 12.33 N ATOM 15 CA PRO A 2 -9.634 6.856 -24.042 1.00 9.92 C ATOM 16 C PRO A 2 -10.531 7.848 -24.765 1.00 10.64 C ATOM 17 O PRO A 2 -10.069 8.893 -25.223 1.00 13.49 O ATOM 18 CB PRO A 2 -9.246 7.393 -22.657 1.00 12.07 C ATOM 19 CG PRO A 2 -7.816 6.997 -22.484 1.00 15.33 C ATOM 20 CD PRO A 2 -7.222 7.127 -23.852 1.00 13.36 C ATOM 21 HA PRO A 2 -10.191 5.920 -24.005 1.00 0.00 H ATOM 22 HD3 PRO A 2 -6.911 8.152 -24.052 1.00 0.00 H ATOM 23 HD2 PRO A 2 -6.370 6.459 -23.978 1.00 0.00 H ATOM 24 HG3 PRO A 2 -7.741 5.970 -22.127 1.00 0.00 H ATOM 25 HG2 PRO A 2 -7.314 7.662 -21.781 1.00 0.00 H ATOM 26 HB2 PRO A 2 -9.352 8.477 -22.621 1.00 0.00 H ATOM 27 HB3 PRO A 2 -9.866 6.943 -21.882 1.00 0.00 H ATOM 28 N VAL A 3 -11.810 7.511 -24.863 1.00 8.25 N ATOM 29 CA VAL A 3 -12.773 8.346 -25.563 1.00 8.45 C ATOM 30 C VAL A 3 -13.223 9.534 -24.712 1.00 7.72 C ATOM 31 O VAL A 3 -13.430 10.637 -25.235 1.00 9.68 O ATOM 32 CB VAL A 3 -13.975 7.505 -26.029 1.00 10.01 C ATOM 33 CG1 VAL A 3 -15.098 8.398 -26.551 1.00 10.64 C ATOM 34 CG2 VAL A 3 -13.519 6.532 -27.094 1.00 11.10 C ATOM 35 HA VAL A 3 -12.279 8.757 -26.443 1.00 0.00 H ATOM 36 HB VAL A 3 -14.371 6.947 -25.180 1.00 0.00 H ATOM 37 HG11 VAL A 3 -15.426 9.068 -25.757 1.00 0.00 H ATOM 38 HG12 VAL A 3 -14.732 8.984 -27.394 1.00 0.00 H ATOM 39 HG13 VAL A 3 -15.934 7.777 -26.873 1.00 0.00 H ATOM 40 HG21 VAL A 3 -13.110 7.086 -27.939 1.00 0.00 H ATOM 41 HG22 VAL A 3 -12.752 5.877 -26.681 1.00 0.00 H ATOM 42 HG23 VAL A 3 -14.368 5.935 -27.426 1.00 0.00 H ATOM 43 H VAL A 3 -12.133 6.624 -24.427 1.00 0.00 H ATOM 44 N LEU A 4 -13.353 9.317 -23.403 1.00 7.35 N ATOM 45 CA LEU A 4 -13.681 10.406 -22.492 1.00 7.33 C ATOM 46 C LEU A 4 -12.392 11.072 -22.058 1.00 7.39 C ATOM 47 O LEU A 4 -11.335 10.428 -22.014 1.00 8.89 O ATOM 48 CB LEU A 4 -14.467 9.904 -21.272 1.00 7.76 C ATOM 49 CG LEU A 4 -15.739 9.113 -21.597 1.00 6.38 C ATOM 50 CD1 LEU A 4 -16.431 8.678 -20.315 1.00 7.23 C ATOM 51 CD2 LEU A 4 -16.687 9.945 -22.456 1.00 7.49 C ATOM 52 HA LEU A 4 -14.319 11.124 -23.008 1.00 0.00 H ATOM 53 HB2 LEU A 4 -13.809 9.261 -20.688 1.00 0.00 H ATOM 54 HB3 LEU A 4 -14.751 10.770 -20.674 1.00 0.00 H ATOM 55 HG LEU A 4 -15.456 8.224 -22.161 1.00 0.00 H ATOM 56 HD21 LEU A 4 -16.963 10.851 -21.917 1.00 0.00 H ATOM 57 HD22 LEU A 4 -16.190 10.213 -23.388 1.00 0.00 H ATOM 58 HD23 LEU A 4 -17.583 9.363 -22.674 1.00 0.00 H ATOM 59 HD11 LEU A 4 -15.757 8.047 -19.736 1.00 0.00 H ATOM 60 HD12 LEU A 4 -16.698 9.559 -19.731 1.00 0.00 H ATOM 61 HD13 LEU A 4 -17.332 8.117 -20.562 1.00 0.00 H ATOM 62 H LEU A 4 -13.218 8.357 -23.027 1.00 0.00 H ATOM 63 N THR A 5 -12.467 12.366 -21.761 1.00 7.22 N ATOM 64 CA THR A 5 -11.269 13.129 -21.452 1.00 6.75 C ATOM 65 C THR A 5 -11.165 13.456 -19.979 1.00 6.26 C ATOM 66 O THR A 5 -12.021 14.152 -19.430 1.00 8.76 O ATOM 67 CB THR A 5 -11.209 14.432 -22.263 1.00 11.20 C ATOM 68 OG1 THR A 5 -11.246 14.111 -23.660 1.00 14.38 O ATOM 69 CG2 THR A 5 -9.932 15.207 -21.935 1.00 14.19 C ATOM 70 HA THR A 5 -10.426 12.494 -21.726 1.00 0.00 H ATOM 71 HB THR A 5 -12.063 15.059 -22.006 1.00 0.00 H ATOM 72 HG1 THR A 5 -10.470 13.539 -23.887 1.00 0.00 H ATOM 73 HG23 THR A 5 -9.916 15.445 -20.871 1.00 0.00 H ATOM 74 HG21 THR A 5 -9.064 14.597 -22.185 1.00 0.00 H ATOM 75 HG22 THR A 5 -9.909 16.129 -22.515 1.00 0.00 H ATOM 76 H THR A 5 -13.394 12.838 -21.750 1.00 0.00 H ATOM 77 N GLN A 6 -10.110 12.932 -19.354 1.00 6.87 N ATOM 78 CA GLN A 6 -9.776 13.233 -17.970 1.00 7.49 C ATOM 79 C GLN A 6 -8.340 13.736 -17.889 1.00 8.60 C ATOM 80 O GLN A 6 -7.446 13.169 -18.516 1.00 10.06 O ATOM 81 CB GLN A 6 -9.891 11.976 -17.100 1.00 7.61 C ATOM 82 CG GLN A 6 -11.310 11.446 -16.896 1.00 7.14 C ATOM 83 CD GLN A 6 -11.335 10.257 -15.950 1.00 6.45 C ATOM 84 OE1 GLN A 6 -11.210 9.099 -16.370 1.00 7.64 O ATOM 85 NE2 GLN A 6 -11.480 10.537 -14.668 1.00 7.63 N ATOM 86 HA GLN A 6 -10.471 13.992 -17.610 1.00 0.00 H ATOM 87 HB2 GLN A 6 -9.302 11.188 -17.568 1.00 0.00 H ATOM 88 HB3 GLN A 6 -9.474 12.206 -16.120 1.00 0.00 H ATOM 89 HG2 GLN A 6 -11.928 12.242 -16.480 1.00 0.00 H ATOM 90 HG3 GLN A 6 -11.715 11.139 -17.860 1.00 0.00 H ATOM 91 HE22 GLN A 6 -11.582 11.525 -14.360 1.00 0.00 H ATOM 92 HE21 GLN A 6 -11.492 9.770 -13.966 1.00 0.00 H ATOM 93 H GLN A 6 -9.497 12.277 -19.881 1.00 0.00 H ATOM 94 N SER A 7 -8.116 14.796 -17.120 1.00 9.22 N ATOM 95 CA SER A 7 -6.755 15.246 -16.856 1.00 9.75 C ATOM 96 C SER A 7 -6.009 14.135 -16.152 1.00 10.21 C ATOM 97 O SER A 7 -6.530 13.525 -15.224 1.00 10.75 O ATOM 98 CB SER A 7 -6.759 16.489 -15.977 1.00 11.54 C ATOM 99 OG SER A 7 -7.386 17.551 -16.654 1.00 12.62 O ATOM 100 HA SER A 7 -6.270 15.495 -17.800 1.00 0.00 H ATOM 101 HB2 SER A 7 -5.732 16.767 -15.739 1.00 0.00 H ATOM 102 HB3 SER A 7 -7.300 16.278 -15.055 1.00 0.00 H ATOM 103 HG SER A 7 -6.894 17.744 -17.491 1.00 0.00 H ATOM 104 H SER A 7 -8.919 15.309 -16.703 1.00 0.00 H ATOM 105 N PRO A 8 -4.774 13.859 -16.590 1.00 9.51 N ATOM 106 CA PRO A 8 -4.076 12.705 -16.002 1.00 10.42 C ATOM 107 C PRO A 8 -3.718 12.861 -14.526 1.00 10.16 C ATOM 108 O PRO A 8 -3.604 11.863 -13.813 1.00 10.48 O ATOM 109 CB PRO A 8 -2.803 12.585 -16.853 1.00 13.40 C ATOM 110 CG PRO A 8 -2.618 13.924 -17.464 1.00 16.52 C ATOM 111 CD PRO A 8 -4.004 14.484 -17.676 1.00 12.92 C ATOM 112 HA PRO A 8 -4.718 11.824 -16.016 1.00 0.00 H ATOM 113 HD3 PRO A 8 -4.007 15.570 -17.586 1.00 0.00 H ATOM 114 HD2 PRO A 8 -4.398 14.200 -18.652 1.00 0.00 H ATOM 115 HG3 PRO A 8 -2.096 13.836 -18.417 1.00 0.00 H ATOM 116 HG2 PRO A 8 -2.047 14.569 -16.796 1.00 0.00 H ATOM 117 HB2 PRO A 8 -1.948 12.328 -16.228 1.00 0.00 H ATOM 118 HB3 PRO A 8 -2.929 11.826 -17.625 1.00 0.00 H ATOM 119 N SER A 9 -3.541 14.093 -14.067 1.00 10.32 N ATOM 120 CA SER A 9 -3.028 14.303 -12.723 1.00 13.04 C ATOM 121 C SER A 9 -3.576 15.577 -12.115 1.00 13.05 C ATOM 122 O SER A 9 -3.534 16.635 -12.740 1.00 15.28 O ATOM 123 CB SER A 9 -1.499 14.348 -12.749 1.00 16.69 C ATOM 124 OG SER A 9 -0.989 14.803 -11.512 1.00 22.41 O ATOM 125 HA SER A 9 -3.355 13.469 -12.103 1.00 0.00 H ATOM 126 HB2 SER A 9 -1.175 15.024 -13.540 1.00 0.00 H ATOM 127 HB3 SER A 9 -1.115 13.347 -12.948 1.00 0.00 H ATOM 128 HG SER A 9 -1.278 14.189 -10.791 1.00 0.00 H ATOM 129 H SER A 9 -3.769 14.910 -14.669 1.00 0.00 H ATOM 130 N VAL A 11 -4.088 15.461 -10.894 1.00 10.98 N ATOM 131 CA VAL A 11 -4.569 16.603 -10.125 1.00 12.22 C ATOM 132 C VAL A 11 -4.047 16.493 -8.694 1.00 10.41 C ATOM 133 O VAL A 11 -3.996 15.402 -8.138 1.00 11.56 O ATOM 134 CB VAL A 11 -6.114 16.670 -10.142 1.00 14.93 C ATOM 135 CG1 VAL A 11 -6.629 17.737 -9.196 1.00 18.35 C ATOM 136 CG2 VAL A 11 -6.613 16.916 -11.563 1.00 15.41 C ATOM 137 HA VAL A 11 -4.198 17.523 -10.577 1.00 0.00 H ATOM 138 HB VAL A 11 -6.502 15.712 -9.796 1.00 0.00 H ATOM 139 HG11 VAL A 11 -6.302 17.510 -8.181 1.00 0.00 H ATOM 140 HG12 VAL A 11 -6.236 18.708 -9.497 1.00 0.00 H ATOM 141 HG13 VAL A 11 -7.718 17.758 -9.232 1.00 0.00 H ATOM 142 HG21 VAL A 11 -6.209 17.860 -11.930 1.00 0.00 H ATOM 143 HG22 VAL A 11 -6.283 16.102 -12.209 1.00 0.00 H ATOM 144 HG23 VAL A 11 -7.702 16.961 -11.562 1.00 0.00 H ATOM 145 H VAL A 11 -4.148 14.514 -10.468 1.00 0.00 H ATOM 146 N SER A 12 -3.634 17.615 -8.115 1.00 11.67 N ATOM 147 CA SER A 12 -3.124 17.624 -6.751 1.00 11.72 C ATOM 148 C SER A 12 -3.933 18.536 -5.844 1.00 11.70 C ATOM 149 O SER A 12 -4.570 19.488 -6.299 1.00 12.09 O ATOM 150 CB SER A 12 -1.653 18.054 -6.712 1.00 12.99 C ATOM 151 OG SER A 12 -0.832 17.171 -7.464 1.00 15.02 O ATOM 152 HA SER A 12 -3.214 16.602 -6.384 1.00 0.00 H ATOM 153 HB2 SER A 12 -1.313 18.059 -5.677 1.00 0.00 H ATOM 154 HB3 SER A 12 -1.566 19.058 -7.127 1.00 0.00 H ATOM 155 HG SER A 12 0.108 17.477 -7.418 1.00 0.00 H ATOM 156 H SER A 12 -3.676 18.507 -8.648 1.00 0.00 H ATOM 157 N GLY A 13 -3.890 18.235 -4.554 1.00 13.83 N ATOM 158 CA GLY A 13 -4.469 19.100 -3.544 1.00 12.51 C ATOM 159 C GLY A 13 -3.833 18.804 -2.205 1.00 12.87 C ATOM 160 O GLY A 13 -3.092 17.834 -2.067 1.00 14.16 O ATOM 161 HA3 GLY A 13 -5.543 18.922 -3.484 1.00 0.00 H ATOM 162 HA2 GLY A 13 -4.289 20.142 -3.810 1.00 0.00 H ATOM 163 H GLY A 13 -3.427 17.352 -4.257 1.00 0.00 H ATOM 164 N THR A 14 -4.120 19.643 -1.219 1.00 13.27 N ATOM 165 CA THR A 14 -3.632 19.431 0.133 1.00 13.41 C ATOM 166 C THR A 14 -4.813 19.043 1.011 1.00 11.92 C ATOM 167 O THR A 14 -5.965 19.266 0.637 1.00 12.63 O ATOM 168 CB THR A 14 -2.931 20.692 0.675 1.00 16.36 C ATOM 169 OG1 THR A 14 -3.836 21.801 0.628 1.00 17.37 O ATOM 170 CG2 THR A 14 -1.695 21.014 -0.169 1.00 16.39 C ATOM 171 HA THR A 14 -2.891 18.631 0.135 1.00 0.00 H ATOM 172 HB THR A 14 -2.624 20.509 1.705 1.00 0.00 H ATOM 173 HG1 THR A 14 -4.631 21.601 1.183 1.00 0.00 H ATOM 174 HG23 THR A 14 -1.004 20.172 -0.135 1.00 0.00 H ATOM 175 HG21 THR A 14 -1.998 21.196 -1.200 1.00 0.00 H ATOM 176 HG22 THR A 14 -1.206 21.903 0.230 1.00 0.00 H ATOM 177 H THR A 14 -4.710 20.475 -1.419 1.00 0.00 H ATOM 178 N PRO A 15 -4.542 18.436 2.173 1.00 13.27 N ATOM 179 CA PRO A 15 -5.660 17.963 2.993 1.00 12.35 C ATOM 180 C PRO A 15 -6.663 19.059 3.325 1.00 13.20 C ATOM 181 O PRO A 15 -6.278 20.166 3.708 1.00 15.21 O ATOM 182 CB PRO A 15 -4.967 17.447 4.253 1.00 13.93 C ATOM 183 CG PRO A 15 -3.621 17.009 3.756 1.00 14.95 C ATOM 184 CD PRO A 15 -3.241 18.033 2.733 1.00 14.73 C ATOM 185 HA PRO A 15 -6.256 17.210 2.477 1.00 0.00 H ATOM 186 HD3 PRO A 15 -2.733 18.880 3.195 1.00 0.00 H ATOM 187 HD2 PRO A 15 -2.600 17.601 1.965 1.00 0.00 H ATOM 188 HG3 PRO A 15 -3.681 16.019 3.305 1.00 0.00 H ATOM 189 HG2 PRO A 15 -2.897 16.992 4.571 1.00 0.00 H ATOM 190 HB2 PRO A 15 -4.870 18.238 4.997 1.00 0.00 H ATOM 191 HB3 PRO A 15 -5.515 16.609 4.685 1.00 0.00 H ATOM 192 N GLY A 16 -7.943 18.739 3.157 1.00 12.59 N ATOM 193 CA GLY A 16 -9.026 19.643 3.490 1.00 12.90 C ATOM 194 C GLY A 16 -9.519 20.437 2.298 1.00 12.14 C ATOM 195 O GLY A 16 -10.595 21.034 2.343 1.00 13.59 O ATOM 196 HA3 GLY A 16 -8.676 20.340 4.252 1.00 0.00 H ATOM 197 HA2 GLY A 16 -9.857 19.060 3.887 1.00 0.00 H ATOM 198 H GLY A 16 -8.176 17.802 2.771 1.00 0.00 H ATOM 199 N GLN A 17 -8.742 20.455 1.221 1.00 11.10 N ATOM 200 CA GLN A 17 -9.159 21.202 0.039 1.00 10.51 C ATOM 201 C GLN A 17 -10.375 20.580 -0.624 1.00 11.43 C ATOM 202 O GLN A 17 -10.550 19.357 -0.626 1.00 12.92 O ATOM 203 CB GLN A 17 -8.036 21.299 -0.992 1.00 12.04 C ATOM 204 CG GLN A 17 -6.942 22.278 -0.624 1.00 15.52 C ATOM 205 CD GLN A 17 -6.132 22.696 -1.829 1.00 16.17 C ATOM 206 OE1 GLN A 17 -5.509 21.865 -2.485 1.00 16.11 O ATOM 207 NE2 GLN A 17 -6.151 23.993 -2.143 1.00 16.71 N ATOM 208 HA GLN A 17 -9.415 22.202 0.390 1.00 0.00 H ATOM 209 HB2 GLN A 17 -7.588 20.312 -1.105 1.00 0.00 H ATOM 210 HB3 GLN A 17 -8.469 21.611 -1.942 1.00 0.00 H ATOM 211 HG2 GLN A 17 -7.396 23.164 -0.180 1.00 0.00 H ATOM 212 HG3 GLN A 17 -6.278 21.809 0.102 1.00 0.00 H ATOM 213 HE22 GLN A 17 -6.692 24.662 -1.559 1.00 0.00 H ATOM 214 HE21 GLN A 17 -5.624 24.335 -2.972 1.00 0.00 H ATOM 215 H GLN A 17 -7.839 19.938 1.220 1.00 0.00 H ATOM 216 N LYS A 18 -11.217 21.439 -1.182 1.00 9.45 N ATOM 217 CA LYS A 18 -12.354 20.983 -1.968 1.00 9.30 C ATOM 218 C LYS A 18 -11.955 20.967 -3.432 1.00 8.87 C ATOM 219 O LYS A 18 -11.785 22.014 -4.061 1.00 9.50 O ATOM 220 CB LYS A 18 -13.581 21.860 -1.721 1.00 10.90 C ATOM 221 CG LYS A 18 -14.121 21.724 -0.300 1.00 13.55 C ATOM 222 CD LYS A 18 -15.439 22.449 -0.104 1.00 17.71 C ATOM 223 CE LYS A 18 -15.900 22.330 1.343 1.00 20.25 C ATOM 224 NZ LYS A 18 -17.163 23.071 1.608 1.00 22.33 N ATOM 225 HA LYS A 18 -12.632 19.973 -1.665 1.00 0.00 H ATOM 226 HB2 LYS A 18 -13.307 22.901 -1.893 1.00 0.00 H ATOM 227 HB3 LYS A 18 -14.364 21.571 -2.422 1.00 0.00 H ATOM 228 HG2 LYS A 18 -14.269 20.666 -0.082 1.00 0.00 H ATOM 229 HG3 LYS A 18 -13.388 22.138 0.393 1.00 0.00 H ATOM 230 HD2 LYS A 18 -15.311 23.502 -0.355 1.00 0.00 H ATOM 231 HD3 LYS A 18 -16.192 22.010 -0.758 1.00 0.00 H ATOM 232 HE2 LYS A 18 -15.120 22.728 1.991 1.00 0.00 H ATOM 233 HE3 LYS A 18 -16.059 21.276 1.573 1.00 0.00 H ATOM 234 HZ1 LYS A 18 -17.021 24.080 1.401 1.00 0.00 H ATOM 235 HZ2 LYS A 18 -17.919 22.694 1.001 1.00 0.00 H ATOM 236 HZ3 LYS A 18 -17.429 22.955 2.607 1.00 0.00 H ATOM 237 H LYS A 18 -11.062 22.460 -1.055 1.00 0.00 H ATOM 238 N VAL A 19 -11.774 19.759 -3.958 1.00 8.47 N ATOM 239 CA VAL A 19 -11.297 19.559 -5.317 1.00 8.42 C ATOM 240 C VAL A 19 -12.311 18.751 -6.104 1.00 8.68 C ATOM 241 O VAL A 19 -12.843 17.769 -5.610 1.00 9.39 O ATOM 242 CB VAL A 19 -9.942 18.817 -5.309 1.00 10.61 C ATOM 243 CG1 VAL A 19 -9.461 18.540 -6.734 1.00 13.93 C ATOM 244 CG2 VAL A 19 -8.906 19.616 -4.524 1.00 10.92 C ATOM 245 HA VAL A 19 -11.164 20.534 -5.786 1.00 0.00 H ATOM 246 HB VAL A 19 -10.078 17.855 -4.815 1.00 0.00 H ATOM 247 HG11 VAL A 19 -10.196 17.922 -7.250 1.00 0.00 H ATOM 248 HG12 VAL A 19 -9.340 19.484 -7.265 1.00 0.00 H ATOM 249 HG13 VAL A 19 -8.505 18.017 -6.698 1.00 0.00 H ATOM 250 HG21 VAL A 19 -8.775 20.593 -4.988 1.00 0.00 H ATOM 251 HG22 VAL A 19 -9.249 19.743 -3.497 1.00 0.00 H ATOM 252 HG23 VAL A 19 -7.957 19.080 -4.528 1.00 0.00 H ATOM 253 H VAL A 19 -11.982 18.924 -3.374 1.00 0.00 H ATOM 254 N THR A 20 -12.588 19.183 -7.326 1.00 6.81 N ATOM 255 CA THR A 20 -13.526 18.490 -8.192 1.00 7.10 C ATOM 256 C THR A 20 -12.781 18.096 -9.441 1.00 6.62 C ATOM 257 O THR A 20 -12.066 18.917 -10.022 1.00 8.47 O ATOM 258 CB THR A 20 -14.700 19.401 -8.541 1.00 9.59 C ATOM 259 OG1 THR A 20 -15.364 19.765 -7.325 1.00 11.79 O ATOM 260 CG2 THR A 20 -15.682 18.711 -9.476 1.00 8.30 C ATOM 261 HA THR A 20 -13.928 17.609 -7.692 1.00 0.00 H ATOM 262 HB THR A 20 -14.323 20.285 -9.055 1.00 0.00 H ATOM 263 HG1 THR A 20 -16.130 20.357 -7.533 1.00 0.00 H ATOM 264 HG23 THR A 20 -15.171 18.437 -10.399 1.00 0.00 H ATOM 265 HG21 THR A 20 -16.071 17.814 -8.994 1.00 0.00 H ATOM 266 HG22 THR A 20 -16.504 19.390 -9.702 1.00 0.00 H ATOM 267 H THR A 20 -12.120 20.044 -7.675 1.00 0.00 H ATOM 268 N ILE A 21 -12.929 16.840 -9.846 1.00 6.94 N ATOM 269 CA ILE A 21 -12.308 16.403 -11.085 1.00 7.81 C ATOM 270 C ILE A 21 -13.354 16.181 -12.162 1.00 6.62 C ATOM 271 O ILE A 21 -14.509 15.852 -11.876 1.00 8.52 O ATOM 272 CB ILE A 21 -11.422 15.162 -10.899 1.00 10.21 C ATOM 273 CG1 ILE A 21 -12.246 13.971 -10.410 1.00 9.69 C ATOM 274 CG2 ILE A 21 -10.277 15.456 -9.933 1.00 13.32 C ATOM 275 CD1 ILE A 21 -11.422 12.700 -10.248 1.00 12.61 C ATOM 276 HA ILE A 21 -11.645 17.205 -11.409 1.00 0.00 H ATOM 277 HB ILE A 21 -10.996 14.904 -11.868 1.00 0.00 H ATOM 278 HG12 ILE A 21 -12.685 14.225 -9.445 1.00 0.00 H ATOM 279 HG13 ILE A 21 -13.041 13.780 -11.131 1.00 0.00 H ATOM 280 HD11 ILE A 21 -10.984 12.427 -11.208 1.00 0.00 H ATOM 281 HD12 ILE A 21 -10.628 12.873 -9.522 1.00 0.00 H ATOM 282 HD13 ILE A 21 -12.066 11.893 -9.899 1.00 0.00 H ATOM 283 HG21 ILE A 21 -9.668 16.268 -10.330 1.00 0.00 H ATOM 284 HG22 ILE A 21 -10.685 15.746 -8.965 1.00 0.00 H ATOM 285 HG23 ILE A 21 -9.663 14.563 -9.817 1.00 0.00 H ATOM 286 H ILE A 21 -13.488 16.171 -9.278 1.00 0.00 H ATOM 287 N PHE A 22 -12.939 16.379 -13.404 1.00 5.89 N ATOM 288 CA PHE A 22 -13.862 16.445 -14.519 1.00 5.83 C ATOM 289 C PHE A 22 -13.697 15.309 -15.527 1.00 7.39 C ATOM 290 O PHE A 22 -12.607 14.762 -15.713 1.00 8.50 O ATOM 291 CB PHE A 22 -13.763 17.814 -15.205 1.00 5.87 C ATOM 292 CG PHE A 22 -14.289 18.942 -14.360 1.00 6.16 C ATOM 293 CD1 PHE A 22 -15.548 19.471 -14.588 1.00 8.47 C ATOM 294 CD2 PHE A 22 -13.532 19.452 -13.312 1.00 6.94 C ATOM 295 CE1 PHE A 22 -16.036 20.500 -13.792 1.00 9.46 C ATOM 296 CE2 PHE A 22 -14.018 20.475 -12.517 1.00 8.61 C ATOM 297 CZ PHE A 22 -15.273 20.997 -12.756 1.00 9.42 C ATOM 298 HA PHE A 22 -14.861 16.318 -14.103 1.00 0.00 H ATOM 299 HB2 PHE A 22 -12.716 18.012 -15.434 1.00 0.00 H ATOM 300 HB3 PHE A 22 -14.336 17.779 -16.132 1.00 0.00 H ATOM 301 HD2 PHE A 22 -12.542 19.041 -13.114 1.00 0.00 H ATOM 302 HE2 PHE A 22 -13.410 20.868 -11.702 1.00 0.00 H ATOM 303 HZ PHE A 22 -15.660 21.799 -12.128 1.00 0.00 H ATOM 304 HE1 PHE A 22 -17.025 20.916 -13.987 1.00 0.00 H ATOM 305 HD1 PHE A 22 -16.161 19.077 -15.398 1.00 0.00 H ATOM 306 H PHE A 22 -11.921 16.490 -13.584 1.00 0.00 H ATOM 307 N CYS A 23 -14.809 14.975 -16.168 1.00 6.22 N ATOM 308 CA CYS A 23 -14.866 13.933 -17.174 1.00 6.94 C ATOM 309 C CYS A 23 -15.581 14.516 -18.378 1.00 6.59 C ATOM 310 O CYS A 23 -16.800 14.672 -18.360 1.00 9.32 O ATOM 311 CB CYS A 23 -15.644 12.741 -16.615 1.00 9.19 C ATOM 312 SG CYS A 23 -15.929 11.413 -17.777 1.00 9.47 S ATOM 313 HA CYS A 23 -13.870 13.590 -17.455 1.00 0.00 H ATOM 314 HB2 CYS A 23 -16.613 13.101 -16.269 1.00 0.00 H ATOM 315 HB3 CYS A 23 -15.085 12.338 -15.771 1.00 0.00 H ATOM 316 H CYS A 23 -15.684 15.487 -15.937 1.00 0.00 H ATOM 317 N SER A 24 -14.822 14.850 -19.419 1.00 7.36 N ATOM 318 CA SER A 24 -15.377 15.559 -20.564 1.00 7.44 C ATOM 319 C SER A 24 -15.731 14.600 -21.675 1.00 7.61 C ATOM 320 O SER A 24 -14.861 13.922 -22.222 1.00 9.60 O ATOM 321 CB SER A 24 -14.401 16.618 -21.085 1.00 9.62 C ATOM 322 OG SER A 24 -14.097 17.556 -20.067 1.00 11.89 O ATOM 323 HA SER A 24 -16.286 16.058 -20.228 1.00 0.00 H ATOM 324 HB2 SER A 24 -14.853 17.138 -21.929 1.00 0.00 H ATOM 325 HB3 SER A 24 -13.482 16.130 -21.410 1.00 0.00 H ATOM 326 HG SER A 24 -14.930 18.003 -19.772 1.00 0.00 H ATOM 327 H SER A 24 -13.813 14.600 -19.415 1.00 0.00 H ATOM 328 N GLY A 25 -17.016 14.545 -22.002 1.00 7.17 N ATOM 329 CA GLY A 25 -17.474 13.693 -23.078 1.00 8.42 C ATOM 330 C GLY A 25 -18.161 14.482 -24.175 1.00 8.51 C ATOM 331 O GLY A 25 -17.857 15.655 -24.420 1.00 10.19 O ATOM 332 HA3 GLY A 25 -18.177 12.964 -22.675 1.00 0.00 H ATOM 333 HA2 GLY A 25 -16.617 13.172 -23.503 1.00 0.00 H ATOM 334 H GLY A 25 -17.704 15.123 -21.477 1.00 0.00 H ATOM 335 N SER A 26 -19.105 13.826 -24.837 1.00 7.97 N ATOM 336 CA SER A 26 -19.818 14.432 -25.951 1.00 8.63 C ATOM 337 C SER A 26 -21.283 14.026 -25.930 1.00 8.78 C ATOM 338 O SER A 26 -21.743 13.339 -25.014 1.00 9.30 O ATOM 339 CB SER A 26 -19.190 14.008 -27.273 1.00 10.91 C ATOM 340 OG SER A 26 -19.369 12.621 -27.479 1.00 16.41 O ATOM 341 HA SER A 26 -19.749 15.515 -25.852 1.00 0.00 H ATOM 342 HB2 SER A 26 -18.124 14.234 -27.254 1.00 0.00 H ATOM 343 HB3 SER A 26 -19.662 14.557 -28.088 1.00 0.00 H ATOM 344 HG SER A 26 -18.956 12.361 -28.340 1.00 0.00 H ATOM 345 H SER A 26 -19.341 12.854 -24.552 1.00 0.00 H ATOM 346 N SER A 27 -22.006 14.449 -26.956 1.00 10.56 N ATOM 347 CA SER A 27 -23.441 14.222 -27.032 1.00 11.35 C ATOM 348 C SER A 27 -23.846 12.744 -26.997 1.00 10.31 C ATOM 349 O SER A 27 -24.907 12.405 -26.473 1.00 12.50 O ATOM 350 CB SER A 27 -23.998 14.874 -28.296 1.00 15.72 C ATOM 351 OG SER A 27 -23.481 14.224 -29.442 1.00 20.73 O ATOM 352 HA SER A 27 -23.866 14.676 -26.137 1.00 0.00 H ATOM 353 HB2 SER A 27 -23.712 15.926 -28.317 1.00 0.00 H ATOM 354 HB3 SER A 27 -25.085 14.795 -28.295 1.00 0.00 H ATOM 355 HG SER A 27 -23.742 13.269 -29.424 1.00 0.00 H ATOM 356 H SER A 27 -21.534 14.958 -27.730 1.00 0.00 H ATOM 357 N SER A 27A -23.005 11.865 -27.542 1.00 9.62 N ATOM 358 CA SER A 27A -23.362 10.454 -27.680 1.00 8.40 C ATOM 359 C SER A 27A -23.055 9.630 -26.431 1.00 8.53 C ATOM 360 O SER A 27A -23.530 8.505 -26.292 1.00 9.85 O ATOM 361 CB SER A 27A -22.647 9.834 -28.886 1.00 9.94 C ATOM 362 OG SER A 27A -21.246 9.799 -28.687 1.00 11.75 O ATOM 363 HA SER A 27A -24.442 10.429 -27.828 1.00 0.00 H ATOM 364 HB2 SER A 27A -22.866 10.428 -29.774 1.00 0.00 H ATOM 365 HB3 SER A 27A -23.011 8.817 -29.032 1.00 0.00 H ATOM 366 HG SER A 27A -21.041 9.257 -27.884 1.00 0.00 H ATOM 367 H SER A 27A -22.075 12.190 -27.876 1.00 0.00 H ATOM 368 N ASN A 27B -22.245 10.175 -25.529 1.00 6.88 N ATOM 369 CA ASN A 27B -21.897 9.427 -24.328 1.00 7.62 C ATOM 370 C ASN A 27B -22.398 10.079 -23.038 1.00 7.83 C ATOM 371 O ASN A 27B -23.542 9.845 -22.628 1.00 8.94 O ATOM 372 CB ASN A 27B -20.403 9.012 -24.276 1.00 8.88 C ATOM 373 CG ASN A 27B -19.434 10.133 -24.664 1.00 6.32 C ATOM 374 OD1 ASN A 27B -19.384 11.189 -24.019 1.00 7.57 O ATOM 375 ND2 ASN A 27B -18.622 9.883 -25.699 1.00 8.33 N ATOM 376 HA ASN A 27B -22.450 8.490 -24.401 1.00 0.00 H ATOM 377 HB2 ASN A 27B -20.170 8.693 -23.260 1.00 0.00 H ATOM 378 HB3 ASN A 27B -20.254 8.177 -24.961 1.00 0.00 H ATOM 379 HD22 ASN A 27B -18.698 8.982 -26.214 1.00 0.00 H ATOM 380 HD21 ASN A 27B -17.916 10.589 -25.988 1.00 0.00 H ATOM 381 H ASN A 27B -21.862 11.130 -25.680 1.00 0.00 H ATOM 382 N VAL A 28 -21.564 10.906 -22.414 1.00 6.23 N ATOM 383 CA VAL A 28 -21.922 11.539 -21.146 1.00 6.67 C ATOM 384 C VAL A 28 -23.276 12.266 -21.184 1.00 9.05 C ATOM 385 O VAL A 28 -24.065 12.189 -20.236 1.00 9.68 O ATOM 386 CB VAL A 28 -20.810 12.516 -20.706 1.00 7.41 C ATOM 387 CG1 VAL A 28 -21.265 13.377 -19.536 1.00 9.19 C ATOM 388 CG2 VAL A 28 -19.549 11.736 -20.352 1.00 8.24 C ATOM 389 HA VAL A 28 -22.023 10.733 -20.419 1.00 0.00 H ATOM 390 HB VAL A 28 -20.588 13.187 -21.536 1.00 0.00 H ATOM 391 HG11 VAL A 28 -22.140 13.956 -19.831 1.00 0.00 H ATOM 392 HG12 VAL A 28 -21.519 12.736 -18.692 1.00 0.00 H ATOM 393 HG13 VAL A 28 -20.460 14.054 -19.250 1.00 0.00 H ATOM 394 HG21 VAL A 28 -19.767 11.046 -19.537 1.00 0.00 H ATOM 395 HG22 VAL A 28 -19.213 11.175 -21.224 1.00 0.00 H ATOM 396 HG23 VAL A 28 -18.768 12.431 -20.042 1.00 0.00 H ATOM 397 H VAL A 28 -20.636 11.107 -22.838 1.00 0.00 H ATOM 398 N GLU A 29 -23.562 12.973 -22.270 1.00 8.75 N ATOM 399 CA GLU A 29 -24.773 13.779 -22.289 1.00 10.36 C ATOM 400 C GLU A 29 -26.034 12.919 -22.346 1.00 11.76 C ATOM 401 O GLU A 29 -27.105 13.351 -21.917 1.00 15.07 O ATOM 402 CB GLU A 29 -24.748 14.745 -23.470 1.00 12.01 C ATOM 403 CG GLU A 29 -25.835 15.802 -23.414 1.00 14.20 C ATOM 404 CD GLU A 29 -25.694 16.836 -24.504 1.00 16.55 C ATOM 405 OE1 GLU A 29 -25.473 16.456 -25.669 1.00 22.28 O ATOM 406 OE2 GLU A 29 -25.795 18.034 -24.197 1.00 20.03 O ATOM 407 HA GLU A 29 -24.800 14.344 -21.357 1.00 0.00 H ATOM 408 HB2 GLU A 29 -23.780 15.246 -23.485 1.00 0.00 H ATOM 409 HB3 GLU A 29 -24.873 14.171 -24.388 1.00 0.00 H ATOM 410 HG2 GLU A 29 -26.804 15.313 -23.519 1.00 0.00 H ATOM 411 HG3 GLU A 29 -25.785 16.304 -22.448 1.00 0.00 H ATOM 412 H GLU A 29 -22.930 12.951 -23.095 1.00 0.00 H ATOM 413 N ASP A 30 -25.913 11.715 -22.893 1.00 10.44 N ATOM 414 CA ASP A 30 -27.098 10.911 -23.181 1.00 9.65 C ATOM 415 C ASP A 30 -27.236 9.660 -22.323 1.00 10.23 C ATOM 416 O ASP A 30 -28.231 8.950 -22.436 1.00 13.39 O ATOM 417 CB ASP A 30 -27.109 10.499 -24.655 1.00 13.63 C ATOM 418 CG ASP A 30 -28.503 10.228 -25.168 1.00 19.42 C ATOM 419 OD1 ASP A 30 -29.427 10.987 -24.794 1.00 19.54 O ATOM 420 OD2 ASP A 30 -28.678 9.252 -25.934 1.00 22.76 O ATOM 421 HA ASP A 30 -27.946 11.553 -22.940 1.00 0.00 H ATOM 422 HB2 ASP A 30 -26.668 11.302 -25.246 1.00 0.00 H ATOM 423 HB3 ASP A 30 -26.512 9.595 -24.770 1.00 0.00 H ATOM 424 H ASP A 30 -24.969 11.342 -23.118 1.00 0.00 H ATOM 425 N ASN A 31 -26.245 9.388 -21.481 1.00 9.50 N ATOM 426 CA ASN A 31 -26.154 8.101 -20.796 1.00 9.62 C ATOM 427 C ASN A 31 -25.709 8.212 -19.346 1.00 9.61 C ATOM 428 O ASN A 31 -25.133 9.219 -18.945 1.00 12.04 O ATOM 429 CB ASN A 31 -25.202 7.172 -21.552 1.00 10.27 C ATOM 430 CG ASN A 31 -25.752 6.767 -22.890 1.00 11.99 C ATOM 431 OD1 ASN A 31 -26.714 6.010 -22.960 1.00 15.89 O ATOM 432 ND2 ASN A 31 -25.179 7.297 -23.959 1.00 14.07 N ATOM 433 HA ASN A 31 -27.164 7.690 -20.785 1.00 0.00 H ATOM 434 HB2 ASN A 31 -24.253 7.687 -21.703 1.00 0.00 H ATOM 435 HB3 ASN A 31 -25.036 6.276 -20.954 1.00 0.00 H ATOM 436 HD22 ASN A 31 -24.364 7.934 -23.850 1.00 0.00 H ATOM 437 HD21 ASN A 31 -25.543 7.076 -24.908 1.00 0.00 H ATOM 438 H ASN A 31 -25.516 10.109 -21.305 1.00 0.00 H ATOM 439 N SER A 32 -25.983 7.166 -18.567 1.00 8.87 N ATOM 440 CA SER A 32 -25.544 7.105 -17.180 1.00 8.60 C ATOM 441 C SER A 32 -24.031 7.092 -17.089 1.00 7.91 C ATOM 442 O SER A 32 -23.368 6.324 -17.780 1.00 8.78 O ATOM 443 CB SER A 32 -26.079 5.840 -16.507 1.00 11.86 C ATOM 444 OG SER A 32 -27.492 5.857 -16.455 1.00 15.68 O ATOM 445 HA SER A 32 -25.931 7.990 -16.675 1.00 0.00 H ATOM 446 HB2 SER A 32 -25.685 5.781 -15.493 1.00 0.00 H ATOM 447 HB3 SER A 32 -25.753 4.968 -17.074 1.00 0.00 H ATOM 448 HG SER A 32 -27.815 5.030 -16.016 1.00 0.00 H ATOM 449 H SER A 32 -26.526 6.371 -18.961 1.00 0.00 H ATOM 450 N VAL A 33 -23.491 7.935 -16.219 1.00 8.01 N ATOM 451 CA VAL A 33 -22.056 7.946 -15.955 1.00 6.42 C ATOM 452 C VAL A 33 -21.748 7.214 -14.653 1.00 6.92 C ATOM 453 O VAL A 33 -22.497 7.301 -13.680 1.00 8.04 O ATOM 454 CB VAL A 33 -21.500 9.391 -15.934 1.00 7.49 C ATOM 455 CG1 VAL A 33 -20.039 9.417 -15.480 1.00 8.15 C ATOM 456 CG2 VAL A 33 -21.652 10.008 -17.317 1.00 8.89 C ATOM 457 HA VAL A 33 -21.556 7.418 -16.767 1.00 0.00 H ATOM 458 HB VAL A 33 -22.070 9.979 -15.215 1.00 0.00 H ATOM 459 HG11 VAL A 33 -19.965 9.001 -14.475 1.00 0.00 H ATOM 460 HG12 VAL A 33 -19.436 8.822 -16.166 1.00 0.00 H ATOM 461 HG13 VAL A 33 -19.679 10.446 -15.476 1.00 0.00 H ATOM 462 HG21 VAL A 33 -21.097 9.413 -18.042 1.00 0.00 H ATOM 463 HG22 VAL A 33 -22.707 10.026 -17.592 1.00 0.00 H ATOM 464 HG23 VAL A 33 -21.261 11.025 -17.304 1.00 0.00 H ATOM 465 H VAL A 33 -24.105 8.604 -15.713 1.00 0.00 H ATOM 466 N TYR A 34 -20.643 6.480 -14.648 1.00 5.79 N ATOM 467 CA TYR A 34 -20.180 5.780 -13.456 1.00 5.89 C ATOM 468 C TYR A 34 -18.768 6.245 -13.171 1.00 5.71 C ATOM 469 O TYR A 34 -18.012 6.586 -14.099 1.00 6.60 O ATOM 470 CB TYR A 34 -20.159 4.258 -13.670 1.00 6.99 C ATOM 471 CG TYR A 34 -21.460 3.681 -14.187 1.00 6.75 C ATOM 472 CD1 TYR A 34 -22.339 3.013 -13.338 1.00 9.13 C ATOM 473 CD2 TYR A 34 -21.811 3.807 -15.529 1.00 6.96 C ATOM 474 CE1 TYR A 34 -23.534 2.485 -13.812 1.00 9.23 C ATOM 475 CE2 TYR A 34 -23.013 3.282 -16.014 1.00 9.80 C ATOM 476 CZ TYR A 34 -23.865 2.626 -15.148 1.00 10.21 C ATOM 477 OH TYR A 34 -25.046 2.091 -15.624 1.00 13.22 O ATOM 478 HA TYR A 34 -20.856 5.998 -12.629 1.00 0.00 H ATOM 479 HB3 TYR A 34 -19.930 3.782 -12.716 1.00 0.00 H ATOM 480 HB2 TYR A 34 -19.373 4.025 -14.389 1.00 0.00 H ATOM 481 HD2 TYR A 34 -21.137 4.324 -16.213 1.00 0.00 H ATOM 482 HE2 TYR A 34 -23.275 3.390 -17.067 1.00 0.00 H ATOM 483 HE1 TYR A 34 -24.208 1.962 -13.134 1.00 0.00 H ATOM 484 HD1 TYR A 34 -22.085 2.902 -12.284 1.00 0.00 H ATOM 485 HH TYR A 34 -25.535 1.659 -14.879 1.00 0.00 H ATOM 486 H TYR A 34 -20.088 6.401 -15.524 1.00 0.00 H ATOM 487 N TRP A 35 -18.406 6.255 -11.893 1.00 6.97 N ATOM 488 CA TRP A 35 -17.038 6.566 -11.495 1.00 5.88 C ATOM 489 C TRP A 35 -16.512 5.439 -10.640 1.00 5.25 C ATOM 490 O TRP A 35 -17.232 4.920 -9.782 1.00 6.26 O ATOM 491 CB TRP A 35 -16.991 7.839 -10.644 1.00 6.88 C ATOM 492 CG TRP A 35 -17.303 9.115 -11.370 1.00 5.99 C ATOM 493 CD1 TRP A 35 -18.539 9.628 -11.628 1.00 6.25 C ATOM 494 CD2 TRP A 35 -16.357 10.061 -11.888 1.00 5.76 C ATOM 495 NE1 TRP A 35 -18.424 10.823 -12.295 1.00 7.36 N ATOM 496 CE2 TRP A 35 -17.095 11.115 -12.461 1.00 6.92 C ATOM 497 CE3 TRP A 35 -14.960 10.117 -11.918 1.00 7.38 C ATOM 498 CZ2 TRP A 35 -16.483 12.220 -13.057 1.00 7.02 C ATOM 499 CZ3 TRP A 35 -14.351 11.208 -12.513 1.00 7.21 C ATOM 500 CH2 TRP A 35 -15.111 12.249 -13.075 1.00 7.00 C ATOM 501 HA TRP A 35 -16.443 6.703 -12.398 1.00 0.00 H ATOM 502 HB2 TRP A 35 -17.712 7.728 -9.834 1.00 0.00 H ATOM 503 HB3 TRP A 35 -15.988 7.927 -10.226 1.00 0.00 H ATOM 504 HE1 TRP A 35 -19.217 11.411 -12.621 1.00 0.00 H ATOM 505 HD1 TRP A 35 -19.481 9.158 -11.346 1.00 0.00 H ATOM 506 HZ2 TRP A 35 -17.072 13.028 -13.491 1.00 0.00 H ATOM 507 HH2 TRP A 35 -14.600 13.096 -13.534 1.00 0.00 H ATOM 508 HZ3 TRP A 35 -13.263 11.261 -12.547 1.00 0.00 H ATOM 509 HE3 TRP A 35 -14.362 9.317 -11.481 1.00 0.00 H ATOM 510 H TRP A 35 -19.112 6.037 -11.162 1.00 0.00 H ATOM 511 N TYR A 36 -15.248 5.080 -10.840 1.00 5.43 N ATOM 512 CA TYR A 36 -14.608 4.171 -9.909 1.00 6.10 C ATOM 513 C TYR A 36 -13.246 4.655 -9.443 1.00 6.52 C ATOM 514 O TYR A 36 -12.583 5.439 -10.125 1.00 7.25 O ATOM 515 CB TYR A 36 -14.541 2.746 -10.448 1.00 6.76 C ATOM 516 CG TYR A 36 -13.674 2.489 -11.661 1.00 6.23 C ATOM 517 CD1 TYR A 36 -14.228 2.423 -12.940 1.00 7.04 C ATOM 518 CD2 TYR A 36 -12.317 2.213 -11.518 1.00 7.89 C ATOM 519 CE1 TYR A 36 -13.456 2.117 -14.039 1.00 8.54 C ATOM 520 CE2 TYR A 36 -11.527 1.906 -12.618 1.00 8.20 C ATOM 521 CZ TYR A 36 -12.104 1.859 -13.875 1.00 6.61 C ATOM 522 OH TYR A 36 -11.328 1.550 -14.973 1.00 9.68 O ATOM 523 HA TYR A 36 -15.248 4.157 -9.027 1.00 0.00 H ATOM 524 HB3 TYR A 36 -15.557 2.448 -10.706 1.00 0.00 H ATOM 525 HB2 TYR A 36 -14.170 2.111 -9.643 1.00 0.00 H ATOM 526 HD2 TYR A 36 -11.867 2.238 -10.526 1.00 0.00 H ATOM 527 HE2 TYR A 36 -10.463 1.704 -12.493 1.00 0.00 H ATOM 528 HE1 TYR A 36 -13.905 2.078 -15.031 1.00 0.00 H ATOM 529 HD1 TYR A 36 -15.292 2.617 -13.072 1.00 0.00 H ATOM 530 HH TYR A 36 -11.891 1.559 -15.787 1.00 0.00 H ATOM 531 H TYR A 36 -14.722 5.448 -11.658 1.00 0.00 H ATOM 532 N GLN A 37 -12.857 4.167 -8.270 1.00 7.70 N ATOM 533 CA GLN A 37 -11.591 4.485 -7.633 1.00 6.57 C ATOM 534 C GLN A 37 -10.684 3.264 -7.705 1.00 6.17 C ATOM 535 O GLN A 37 -11.122 2.145 -7.449 1.00 8.56 O ATOM 536 CB GLN A 37 -11.857 4.847 -6.169 1.00 7.32 C ATOM 537 CG GLN A 37 -10.622 5.158 -5.324 1.00 7.76 C ATOM 538 CD GLN A 37 -10.969 5.291 -3.857 1.00 7.66 C ATOM 539 OE1 GLN A 37 -11.513 4.364 -3.250 1.00 11.77 O ATOM 540 NE2 GLN A 37 -10.685 6.460 -3.281 1.00 9.76 N ATOM 541 HA GLN A 37 -11.110 5.324 -8.136 1.00 0.00 H ATOM 542 HB2 GLN A 37 -12.502 5.725 -6.154 1.00 0.00 H ATOM 543 HB3 GLN A 37 -12.376 4.008 -5.706 1.00 0.00 H ATOM 544 HG2 GLN A 37 -9.898 4.352 -5.445 1.00 0.00 H ATOM 545 HG3 GLN A 37 -10.183 6.094 -5.670 1.00 0.00 H ATOM 546 HE22 GLN A 37 -10.226 7.213 -3.832 1.00 0.00 H ATOM 547 HE21 GLN A 37 -10.923 6.618 -2.281 1.00 0.00 H ATOM 548 H GLN A 37 -13.500 3.516 -7.776 1.00 0.00 H ATOM 549 N GLN A 38 -9.419 3.470 -8.049 1.00 7.65 N ATOM 550 CA GLN A 38 -8.489 2.358 -8.127 1.00 7.44 C ATOM 551 C GLN A 38 -7.169 2.726 -7.453 1.00 9.16 C ATOM 552 O GLN A 38 -6.445 3.608 -7.921 1.00 10.49 O ATOM 553 CB GLN A 38 -8.251 1.932 -9.587 1.00 10.40 C ATOM 554 CG GLN A 38 -7.337 0.708 -9.727 1.00 12.95 C ATOM 555 CD GLN A 38 -7.106 0.296 -11.168 1.00 18.86 C ATOM 556 OE1 GLN A 38 -6.540 -0.764 -11.441 1.00 24.69 O ATOM 557 NE2 GLN A 38 -7.546 1.128 -12.098 1.00 19.09 N ATOM 558 HA GLN A 38 -8.928 1.510 -7.601 1.00 0.00 H ATOM 559 HB2 GLN A 38 -9.214 1.697 -10.039 1.00 0.00 H ATOM 560 HB3 GLN A 38 -7.795 2.766 -10.120 1.00 0.00 H ATOM 561 HG2 GLN A 38 -6.373 0.941 -9.274 1.00 0.00 H ATOM 562 HG3 GLN A 38 -7.793 -0.128 -9.196 1.00 0.00 H ATOM 563 HE22 GLN A 38 -8.019 2.013 -11.823 1.00 0.00 H ATOM 564 HE21 GLN A 38 -7.419 0.897 -13.104 1.00 0.00 H ATOM 565 H GLN A 38 -9.092 4.434 -8.264 1.00 0.00 H ATOM 566 N PHE A 39 -6.865 2.061 -6.346 1.00 8.89 N ATOM 567 CA PHE A 39 -5.548 2.209 -5.741 1.00 9.07 C ATOM 568 C PHE A 39 -4.599 1.308 -6.520 1.00 11.66 C ATOM 569 O PHE A 39 -5.013 0.279 -7.050 1.00 12.48 O ATOM 570 CB PHE A 39 -5.562 1.831 -4.259 1.00 10.52 C ATOM 571 CG PHE A 39 -6.435 2.713 -3.413 1.00 11.29 C ATOM 572 CD1 PHE A 39 -6.004 3.976 -3.028 1.00 13.09 C ATOM 573 CD2 PHE A 39 -7.671 2.275 -2.972 1.00 14.51 C ATOM 574 CE1 PHE A 39 -6.802 4.791 -2.256 1.00 13.49 C ATOM 575 CE2 PHE A 39 -8.472 3.088 -2.186 1.00 14.95 C ATOM 576 CZ PHE A 39 -8.035 4.349 -1.832 1.00 14.15 C ATOM 577 HA PHE A 39 -5.227 3.250 -5.788 1.00 0.00 H ATOM 578 HB2 PHE A 39 -5.921 0.806 -4.170 1.00 0.00 H ATOM 579 HB3 PHE A 39 -4.542 1.892 -3.880 1.00 0.00 H ATOM 580 HD2 PHE A 39 -8.019 1.279 -3.246 1.00 0.00 H ATOM 581 HE2 PHE A 39 -9.445 2.733 -1.848 1.00 0.00 H ATOM 582 HZ PHE A 39 -8.665 4.993 -1.218 1.00 0.00 H ATOM 583 HE1 PHE A 39 -6.457 5.787 -1.980 1.00 0.00 H ATOM 584 HD1 PHE A 39 -5.021 4.327 -3.341 1.00 0.00 H ATOM 585 H PHE A 39 -7.569 1.432 -5.909 1.00 0.00 H ATOM 586 N PRO A 40 -3.321 1.693 -6.604 1.00 14.44 N ATOM 587 CA PRO A 40 -2.379 0.902 -7.405 1.00 15.36 C ATOM 588 C PRO A 40 -2.421 -0.586 -7.055 1.00 15.97 C ATOM 589 O PRO A 40 -2.341 -0.939 -5.884 1.00 16.03 O ATOM 590 CB PRO A 40 -1.026 1.505 -7.029 1.00 16.71 C ATOM 591 CG PRO A 40 -1.347 2.931 -6.719 1.00 17.17 C ATOM 592 CD PRO A 40 -2.701 2.911 -6.053 1.00 16.09 C ATOM 593 HA PRO A 40 -2.605 0.943 -8.471 1.00 0.00 H ATOM 594 HD3 PRO A 40 -2.604 2.846 -4.969 1.00 0.00 H ATOM 595 HD2 PRO A 40 -3.279 3.798 -6.313 1.00 0.00 H ATOM 596 HG3 PRO A 40 -1.383 3.520 -7.635 1.00 0.00 H ATOM 597 HG2 PRO A 40 -0.599 3.352 -6.047 1.00 0.00 H ATOM 598 HB2 PRO A 40 -0.605 1.003 -6.158 1.00 0.00 H ATOM 599 HB3 PRO A 40 -0.325 1.436 -7.861 1.00 0.00 H ATOM 600 N GLY A 41 -2.576 -1.438 -8.065 1.00 16.04 N ATOM 601 CA GLY A 41 -2.526 -2.879 -7.871 1.00 19.69 C ATOM 602 C GLY A 41 -3.727 -3.468 -7.149 1.00 19.58 C ATOM 603 O GLY A 41 -3.716 -4.639 -6.764 1.00 22.52 O ATOM 604 HA3 GLY A 41 -1.633 -3.112 -7.291 1.00 0.00 H ATOM 605 HA2 GLY A 41 -2.454 -3.351 -8.851 1.00 0.00 H ATOM 606 H GLY A 41 -2.738 -1.063 -9.021 1.00 0.00 H ATOM 607 N THR A 42 -4.772 -2.664 -6.983 1.00 17.51 N ATOM 608 CA THR A 42 -5.926 -3.052 -6.188 1.00 17.63 C ATOM 609 C THR A 42 -7.186 -3.135 -7.057 1.00 15.31 C ATOM 610 O THR A 42 -7.295 -2.467 -8.084 1.00 16.93 O ATOM 611 CB THR A 42 -6.144 -2.032 -5.033 1.00 18.78 C ATOM 612 OG1 THR A 42 -4.911 -1.850 -4.316 1.00 21.83 O ATOM 613 CG2 THR A 42 -7.221 -2.516 -4.076 1.00 22.92 C ATOM 614 HA THR A 42 -5.735 -4.039 -5.766 1.00 0.00 H ATOM 615 HB THR A 42 -6.467 -1.085 -5.465 1.00 0.00 H ATOM 616 HG1 THR A 42 -4.219 -1.506 -4.935 1.00 0.00 H ATOM 617 HG23 THR A 42 -8.155 -2.653 -4.621 1.00 0.00 H ATOM 618 HG21 THR A 42 -6.914 -3.464 -3.635 1.00 0.00 H ATOM 619 HG22 THR A 42 -7.364 -1.776 -3.288 1.00 0.00 H ATOM 620 H THR A 42 -4.764 -1.728 -7.436 1.00 0.00 H ATOM 621 N THR A 43 -8.134 -3.966 -6.643 1.00 12.86 N ATOM 622 CA THR A 43 -9.416 -4.067 -7.329 1.00 13.30 C ATOM 623 C THR A 43 -10.160 -2.735 -7.225 1.00 11.51 C ATOM 624 O THR A 43 -10.233 -2.148 -6.144 1.00 13.05 O ATOM 625 CB THR A 43 -10.257 -5.184 -6.696 1.00 15.02 C ATOM 626 OG1 THR A 43 -9.540 -6.421 -6.795 1.00 19.89 O ATOM 627 CG2 THR A 43 -11.599 -5.326 -7.376 1.00 13.05 C ATOM 628 HA THR A 43 -9.245 -4.302 -8.380 1.00 0.00 H ATOM 629 HB THR A 43 -10.436 -4.927 -5.652 1.00 0.00 H ATOM 630 HG1 THR A 43 -8.677 -6.340 -6.317 1.00 0.00 H ATOM 631 HG23 THR A 43 -12.144 -4.385 -7.301 1.00 0.00 H ATOM 632 HG21 THR A 43 -11.448 -5.577 -8.426 1.00 0.00 H ATOM 633 HG22 THR A 43 -12.169 -6.118 -6.890 1.00 0.00 H ATOM 634 H THR A 43 -7.958 -4.560 -5.808 1.00 0.00 H ATOM 635 N PRO A 44 -10.708 -2.245 -8.348 1.00 11.34 N ATOM 636 CA PRO A 44 -11.458 -0.983 -8.294 1.00 11.92 C ATOM 637 C PRO A 44 -12.698 -1.062 -7.406 1.00 10.28 C ATOM 638 O PRO A 44 -13.293 -2.132 -7.217 1.00 10.76 O ATOM 639 CB PRO A 44 -11.877 -0.755 -9.753 1.00 12.84 C ATOM 640 CG PRO A 44 -10.932 -1.581 -10.573 1.00 14.91 C ATOM 641 CD PRO A 44 -10.567 -2.758 -9.722 1.00 12.53 C ATOM 642 HA PRO A 44 -10.854 -0.182 -7.868 1.00 0.00 H ATOM 643 HD3 PRO A 44 -11.246 -3.592 -9.898 1.00 0.00 H ATOM 644 HD2 PRO A 44 -9.543 -3.077 -9.916 1.00 0.00 H ATOM 645 HG3 PRO A 44 -10.042 -1.003 -10.822 1.00 0.00 H ATOM 646 HG2 PRO A 44 -11.417 -1.913 -11.491 1.00 0.00 H ATOM 647 HB2 PRO A 44 -12.905 -1.082 -9.910 1.00 0.00 H ATOM 648 HB3 PRO A 44 -11.788 0.299 -10.015 1.00 0.00 H ATOM 649 N LYS A 45 -13.064 0.092 -6.858 1.00 9.26 N ATOM 650 CA LYS A 45 -14.320 0.275 -6.144 1.00 9.21 C ATOM 651 C LYS A 45 -15.195 1.287 -6.888 1.00 6.72 C ATOM 652 O LYS A 45 -14.786 2.420 -7.112 1.00 8.33 O ATOM 653 CB LYS A 45 -14.070 0.741 -4.704 1.00 13.02 C ATOM 654 CG LYS A 45 -15.357 1.006 -3.923 1.00 16.56 C ATOM 655 CD LYS A 45 -15.121 1.056 -2.429 1.00 23.27 C ATOM 656 CE LYS A 45 -14.444 2.338 -2.000 1.00 26.97 C ATOM 657 NZ LYS A 45 -14.305 2.378 -0.511 1.00 28.89 N ATOM 658 HA LYS A 45 -14.838 -0.683 -6.101 1.00 0.00 H ATOM 659 HB2 LYS A 45 -13.502 -0.030 -4.184 1.00 0.00 H ATOM 660 HB3 LYS A 45 -13.487 1.662 -4.734 1.00 0.00 H ATOM 661 HG2 LYS A 45 -15.773 1.961 -4.245 1.00 0.00 H ATOM 662 HG3 LYS A 45 -16.069 0.210 -4.139 1.00 0.00 H ATOM 663 HD2 LYS A 45 -16.081 0.978 -1.919 1.00 0.00 H ATOM 664 HD3 LYS A 45 -14.490 0.214 -2.145 1.00 0.00 H ATOM 665 HE2 LYS A 45 -15.042 3.188 -2.329 1.00 0.00 H ATOM 666 HE3 LYS A 45 -13.455 2.393 -2.455 1.00 0.00 H ATOM 667 HZ1 LYS A 45 -15.248 2.328 -0.075 1.00 0.00 H ATOM 668 HZ2 LYS A 45 -13.733 1.569 -0.196 1.00 0.00 H ATOM 669 HZ3 LYS A 45 -13.838 3.264 -0.231 1.00 0.00 H ATOM 670 H LYS A 45 -12.421 0.905 -6.943 1.00 0.00 H ATOM 671 N VAL A 46 -16.397 0.878 -7.275 1.00 6.46 N ATOM 672 CA VAL A 46 -17.324 1.814 -7.904 1.00 7.62 C ATOM 673 C VAL A 46 -17.789 2.820 -6.855 1.00 7.88 C ATOM 674 O VAL A 46 -18.285 2.440 -5.792 1.00 10.67 O ATOM 675 CB VAL A 46 -18.536 1.093 -8.526 1.00 8.27 C ATOM 676 CG1 VAL A 46 -19.530 2.108 -9.081 1.00 9.36 C ATOM 677 CG2 VAL A 46 -18.074 0.127 -9.617 1.00 10.72 C ATOM 678 HA VAL A 46 -16.806 2.325 -8.716 1.00 0.00 H ATOM 679 HB VAL A 46 -19.039 0.516 -7.750 1.00 0.00 H ATOM 680 HG11 VAL A 46 -19.876 2.754 -8.274 1.00 0.00 H ATOM 681 HG12 VAL A 46 -19.042 2.710 -9.847 1.00 0.00 H ATOM 682 HG13 VAL A 46 -20.380 1.582 -9.516 1.00 0.00 H ATOM 683 HG21 VAL A 46 -17.551 0.683 -10.395 1.00 0.00 H ATOM 684 HG22 VAL A 46 -17.402 -0.614 -9.184 1.00 0.00 H ATOM 685 HG23 VAL A 46 -18.941 -0.375 -10.047 1.00 0.00 H ATOM 686 H VAL A 46 -16.679 -0.112 -7.130 1.00 0.00 H ATOM 687 N LEU A 47 -17.621 4.107 -7.149 1.00 6.46 N ATOM 688 CA LEU A 47 -18.008 5.160 -6.201 1.00 5.87 C ATOM 689 C LEU A 47 -19.388 5.718 -6.502 1.00 5.89 C ATOM 690 O LEU A 47 -20.165 5.997 -5.596 1.00 7.79 O ATOM 691 CB LEU A 47 -17.018 6.322 -6.230 1.00 8.23 C ATOM 692 CG LEU A 47 -15.561 5.993 -5.955 1.00 8.26 C ATOM 693 CD1 LEU A 47 -14.769 7.277 -5.994 1.00 13.56 C ATOM 694 CD2 LEU A 47 -15.423 5.305 -4.609 1.00 10.48 C ATOM 695 HA LEU A 47 -18.012 4.691 -5.217 1.00 0.00 H ATOM 696 HB2 LEU A 47 -17.072 6.776 -7.220 1.00 0.00 H ATOM 697 HB3 LEU A 47 -17.339 7.047 -5.482 1.00 0.00 H ATOM 698 HG LEU A 47 -15.178 5.309 -6.712 1.00 0.00 H ATOM 699 HD21 LEU A 47 -15.794 5.965 -3.825 1.00 0.00 H ATOM 700 HD22 LEU A 47 -16.003 4.382 -4.613 1.00 0.00 H ATOM 701 HD23 LEU A 47 -14.373 5.075 -4.426 1.00 0.00 H ATOM 702 HD11 LEU A 47 -14.870 7.735 -6.978 1.00 0.00 H ATOM 703 HD12 LEU A 47 -15.148 7.960 -5.234 1.00 0.00 H ATOM 704 HD13 LEU A 47 -13.719 7.061 -5.798 1.00 0.00 H ATOM 705 H LEU A 47 -17.208 4.372 -8.066 1.00 0.00 H ATOM 706 N ILE A 48 -19.654 5.902 -7.790 1.00 6.05 N ATOM 707 CA ILE A 48 -20.851 6.578 -8.274 1.00 6.41 C ATOM 708 C ILE A 48 -21.458 5.756 -9.399 1.00 7.17 C ATOM 709 O ILE A 48 -20.744 5.298 -10.289 1.00 7.62 O ATOM 710 CB ILE A 48 -20.526 7.980 -8.852 1.00 7.30 C ATOM 711 CG1 ILE A 48 -19.884 8.893 -7.801 1.00 8.89 C ATOM 712 CG2 ILE A 48 -21.786 8.619 -9.427 1.00 8.55 C ATOM 713 CD1 ILE A 48 -20.776 9.262 -6.606 1.00 10.16 C ATOM 714 HA ILE A 48 -21.533 6.687 -7.431 1.00 0.00 H ATOM 715 HB ILE A 48 -19.800 7.850 -9.654 1.00 0.00 H ATOM 716 HG12 ILE A 48 -18.998 8.389 -7.415 1.00 0.00 H ATOM 717 HG13 ILE A 48 -19.587 9.818 -8.296 1.00 0.00 H ATOM 718 HD11 ILE A 48 -21.664 9.784 -6.964 1.00 0.00 H ATOM 719 HD12 ILE A 48 -21.074 8.354 -6.082 1.00 0.00 H ATOM 720 HD13 ILE A 48 -20.222 9.910 -5.927 1.00 0.00 H ATOM 721 HG21 ILE A 48 -22.181 7.988 -10.223 1.00 0.00 H ATOM 722 HG22 ILE A 48 -22.532 8.722 -8.639 1.00 0.00 H ATOM 723 HG23 ILE A 48 -21.542 9.602 -9.829 1.00 0.00 H ATOM 724 H ILE A 48 -18.973 5.545 -8.490 1.00 0.00 H ATOM 725 N TYR A 49 -22.770 5.562 -9.361 1.00 7.71 N ATOM 726 CA TYR A 49 -23.466 4.925 -10.471 1.00 7.63 C ATOM 727 C TYR A 49 -24.645 5.817 -10.870 1.00 7.73 C ATOM 728 O TYR A 49 -25.061 6.697 -10.106 1.00 8.57 O ATOM 729 CB TYR A 49 -23.905 3.493 -10.111 1.00 9.96 C ATOM 730 CG TYR A 49 -24.887 3.422 -8.957 1.00 9.57 C ATOM 731 CD1 TYR A 49 -24.445 3.457 -7.634 1.00 9.46 C ATOM 732 CD2 TYR A 49 -26.257 3.329 -9.191 1.00 11.28 C ATOM 733 CE1 TYR A 49 -25.340 3.404 -6.582 1.00 11.54 C ATOM 734 CE2 TYR A 49 -27.158 3.275 -8.145 1.00 12.62 C ATOM 735 CZ TYR A 49 -26.696 3.312 -6.841 1.00 12.45 C ATOM 736 OH TYR A 49 -27.591 3.253 -5.790 1.00 16.52 O ATOM 737 HA TYR A 49 -22.796 4.820 -11.324 1.00 0.00 H ATOM 738 HB3 TYR A 49 -23.018 2.919 -9.843 1.00 0.00 H ATOM 739 HB2 TYR A 49 -24.373 3.047 -10.988 1.00 0.00 H ATOM 740 HD2 TYR A 49 -26.624 3.298 -10.217 1.00 0.00 H ATOM 741 HE2 TYR A 49 -28.227 3.204 -8.346 1.00 0.00 H ATOM 742 HE1 TYR A 49 -24.979 3.435 -5.554 1.00 0.00 H ATOM 743 HD1 TYR A 49 -23.377 3.527 -7.427 1.00 0.00 H ATOM 744 HH TYR A 49 -27.096 3.291 -4.934 1.00 0.00 H ATOM 745 H TYR A 49 -23.309 5.869 -8.527 1.00 0.00 H ATOM 746 N ASN A 50 -25.162 5.623 -12.075 1.00 8.43 N ATOM 747 CA ASN A 50 -26.306 6.412 -12.528 1.00 9.42 C ATOM 748 C ASN A 50 -26.120 7.920 -12.327 1.00 7.93 C ATOM 749 O ASN A 50 -27.003 8.603 -11.804 1.00 10.02 O ATOM 750 CB ASN A 50 -27.591 5.927 -11.841 1.00 10.75 C ATOM 751 CG ASN A 50 -27.986 4.529 -12.272 1.00 13.04 C ATOM 752 OD1 ASN A 50 -27.270 3.881 -13.036 1.00 15.58 O ATOM 753 ND2 ASN A 50 -29.123 4.052 -11.775 1.00 16.85 N ATOM 754 HA ASN A 50 -26.387 6.257 -13.604 1.00 0.00 H ATOM 755 HB2 ASN A 50 -27.434 5.929 -10.762 1.00 0.00 H ATOM 756 HB3 ASN A 50 -28.401 6.612 -12.090 1.00 0.00 H ATOM 757 HD22 ASN A 50 -29.695 4.636 -11.133 1.00 0.00 H ATOM 758 HD21 ASN A 50 -29.440 3.095 -12.028 1.00 0.00 H ATOM 759 H ASN A 50 -24.750 4.904 -12.703 1.00 0.00 H ATOM 760 N ASP A 51 -24.958 8.421 -12.746 1.00 9.05 N ATOM 761 CA ASP A 51 -24.629 9.854 -12.732 1.00 9.71 C ATOM 762 C ASP A 51 -24.278 10.411 -11.358 1.00 9.12 C ATOM 763 O ASP A 51 -23.252 11.076 -11.194 1.00 10.34 O ATOM 764 CB ASP A 51 -25.770 10.707 -13.301 1.00 11.06 C ATOM 765 CG ASP A 51 -26.132 10.348 -14.727 1.00 13.84 C ATOM 766 OD1 ASP A 51 -25.232 10.075 -15.543 1.00 13.07 O ATOM 767 OD2 ASP A 51 -27.336 10.371 -15.037 1.00 18.82 O ATOM 768 HA ASP A 51 -23.741 9.918 -13.360 1.00 0.00 H ATOM 769 HB2 ASP A 51 -26.651 10.569 -12.675 1.00 0.00 H ATOM 770 HB3 ASP A 51 -25.467 11.754 -13.274 1.00 0.00 H ATOM 771 H ASP A 51 -24.241 7.758 -13.104 1.00 0.00 H ATOM 772 N ASP A 52 -25.148 10.179 -10.379 1.00 9.60 N ATOM 773 CA ASP A 52 -25.047 10.905 -9.118 1.00 9.99 C ATOM 774 C ASP A 52 -25.403 10.105 -7.873 1.00 10.67 C ATOM 775 O ASP A 52 -25.552 10.675 -6.793 1.00 12.57 O ATOM 776 CB ASP A 52 -25.886 12.193 -9.175 1.00 10.89 C ATOM 777 CG ASP A 52 -27.377 11.935 -9.370 1.00 15.31 C ATOM 778 OD1 ASP A 52 -27.817 10.769 -9.327 1.00 14.90 O ATOM 779 OD2 ASP A 52 -28.129 12.925 -9.535 1.00 19.25 O ATOM 780 HA ASP A 52 -23.987 11.137 -9.014 1.00 0.00 H ATOM 781 HB2 ASP A 52 -25.748 12.737 -8.241 1.00 0.00 H ATOM 782 HB3 ASP A 52 -25.529 12.802 -10.005 1.00 0.00 H ATOM 783 H ASP A 52 -25.903 9.477 -10.513 1.00 0.00 H ATOM 784 N ARG A 53 -25.510 8.788 -8.005 1.00 9.32 N ATOM 785 CA ARG A 53 -25.822 7.940 -6.862 1.00 9.38 C ATOM 786 C ARG A 53 -24.553 7.365 -6.247 1.00 9.90 C ATOM 787 O ARG A 53 -23.730 6.775 -6.945 1.00 10.46 O ATOM 788 CB ARG A 53 -26.769 6.815 -7.278 1.00 11.26 C ATOM 789 CG ARG A 53 -28.034 7.329 -7.943 1.00 14.52 C ATOM 790 CD ARG A 53 -29.028 6.227 -8.201 1.00 18.60 C ATOM 791 NE ARG A 53 -29.470 5.581 -6.968 1.00 22.14 N ATOM 792 CZ ARG A 53 -30.433 4.667 -6.918 1.00 23.48 C ATOM 793 NH1 ARG A 53 -31.057 4.306 -8.031 1.00 23.42 N ATOM 794 NH2 ARG A 53 -30.773 4.120 -5.760 1.00 25.23 N ATOM 795 HA ARG A 53 -26.316 8.554 -6.108 1.00 0.00 H ATOM 796 HB2 ARG A 53 -26.248 6.161 -7.977 1.00 0.00 H ATOM 797 HB3 ARG A 53 -27.047 6.247 -6.390 1.00 0.00 H ATOM 798 HG2 ARG A 53 -28.495 8.073 -7.294 1.00 0.00 H ATOM 799 HG3 ARG A 53 -27.768 7.792 -8.893 1.00 0.00 H ATOM 800 HD2 ARG A 53 -28.563 5.478 -8.843 1.00 0.00 H ATOM 801 HD3 ARG A 53 -29.896 6.649 -8.707 1.00 0.00 H ATOM 802 HE ARG A 53 -29.004 5.852 -6.078 1.00 0.00 H ATOM 803 HH12 ARG A 53 -31.811 3.591 -7.996 1.00 0.00 H ATOM 804 HH11 ARG A 53 -30.792 4.738 -8.939 1.00 0.00 H ATOM 805 HH22 ARG A 53 -31.527 3.405 -5.724 1.00 0.00 H ATOM 806 HH21 ARG A 53 -30.286 4.406 -4.887 1.00 0.00 H ATOM 807 H ARG A 53 -25.369 8.355 -8.940 1.00 0.00 H ATOM 808 N ARG A 54 -24.398 7.544 -4.940 1.00 9.65 N ATOM 809 CA ARG A 54 -23.210 7.069 -4.255 1.00 8.87 C ATOM 810 C ARG A 54 -23.386 5.615 -3.827 1.00 9.82 C ATOM 811 O ARG A 54 -24.350 5.260 -3.130 1.00 12.30 O ATOM 812 CB ARG A 54 -22.903 7.955 -3.044 1.00 11.54 C ATOM 813 CG ARG A 54 -21.598 7.616 -2.349 1.00 11.18 C ATOM 814 CD ARG A 54 -21.482 8.318 -1.000 1.00 17.29 C ATOM 815 NE ARG A 54 -21.549 9.757 -1.170 1.00 21.03 N ATOM 816 CZ ARG A 54 -22.383 10.567 -0.527 1.00 20.65 C ATOM 817 NH1 ARG A 54 -23.243 10.101 0.375 1.00 23.36 N ATOM 818 NH2 ARG A 54 -22.351 11.860 -0.793 1.00 21.84 N ATOM 819 HA ARG A 54 -22.367 7.123 -4.944 1.00 0.00 H ATOM 820 HB2 ARG A 54 -22.854 8.991 -3.380 1.00 0.00 H ATOM 821 HB3 ARG A 54 -23.714 7.846 -2.324 1.00 0.00 H ATOM 822 HG2 ARG A 54 -21.550 6.538 -2.193 1.00 0.00 H ATOM 823 HG3 ARG A 54 -20.768 7.928 -2.983 1.00 0.00 H ATOM 824 HD2 ARG A 54 -20.530 8.055 -0.539 1.00 0.00 H ATOM 825 HD3 ARG A 54 -22.299 7.994 -0.355 1.00 0.00 H ATOM 826 HE ARG A 54 -20.891 10.189 -1.850 1.00 0.00 H ATOM 827 HH12 ARG A 54 -23.886 10.754 0.866 1.00 0.00 H ATOM 828 HH11 ARG A 54 -23.272 9.084 0.589 1.00 0.00 H ATOM 829 HH22 ARG A 54 -22.997 12.509 -0.299 1.00 0.00 H ATOM 830 HH21 ARG A 54 -21.680 12.230 -1.496 1.00 0.00 H ATOM 831 H ARG A 54 -25.140 8.032 -4.399 1.00 0.00 H ATOM 832 N SER A 55 -22.458 4.769 -4.256 1.00 9.42 N ATOM 833 CA SER A 55 -22.439 3.379 -3.808 1.00 9.39 C ATOM 834 C SER A 55 -22.280 3.256 -2.295 1.00 9.29 C ATOM 835 O SER A 55 -21.663 4.101 -1.647 1.00 10.84 O ATOM 836 CB SER A 55 -21.273 2.633 -4.453 1.00 10.45 C ATOM 837 OG SER A 55 -21.388 2.605 -5.856 1.00 12.19 O ATOM 838 HA SER A 55 -23.397 2.950 -4.102 1.00 0.00 H ATOM 839 HB2 SER A 55 -21.257 1.609 -4.079 1.00 0.00 H ATOM 840 HB3 SER A 55 -20.342 3.131 -4.184 1.00 0.00 H ATOM 841 HG SER A 55 -20.618 2.115 -6.239 1.00 0.00 H ATOM 842 H SER A 55 -21.732 5.101 -4.922 1.00 0.00 H ATOM 843 N SER A 56 -22.817 2.176 -1.745 1.00 11.69 N ATOM 844 CA SER A 56 -22.513 1.785 -0.377 1.00 11.82 C ATOM 845 C SER A 56 -21.004 1.606 -0.251 1.00 12.93 C ATOM 846 O SER A 56 -20.339 1.204 -1.213 1.00 14.84 O ATOM 847 CB SER A 56 -23.227 0.469 -0.067 1.00 16.70 C ATOM 848 OG SER A 56 -23.006 0.053 1.263 1.00 21.85 O ATOM 849 HA SER A 56 -22.850 2.547 0.326 1.00 0.00 H ATOM 850 HB2 SER A 56 -22.857 -0.301 -0.744 1.00 0.00 H ATOM 851 HB3 SER A 56 -24.298 0.603 -0.222 1.00 0.00 H ATOM 852 HG SER A 56 -22.036 -0.077 1.410 1.00 0.00 H ATOM 853 H SER A 56 -23.472 1.594 -2.305 1.00 0.00 H ATOM 854 N GLY A 57 -20.456 1.913 0.922 1.00 10.85 N ATOM 855 CA GLY A 57 -19.044 1.702 1.175 1.00 11.15 C ATOM 856 C GLY A 57 -18.149 2.818 0.677 1.00 10.08 C ATOM 857 O GLY A 57 -16.954 2.607 0.478 1.00 13.13 O ATOM 858 HA3 GLY A 57 -18.743 0.777 0.683 1.00 0.00 H ATOM 859 HA2 GLY A 57 -18.901 1.603 2.251 1.00 0.00 H ATOM 860 H GLY A 57 -21.053 2.313 1.674 1.00 0.00 H ATOM 861 N VAL A 58 -18.721 4.007 0.491 1.00 9.51 N ATOM 862 CA VAL A 58 -17.996 5.160 -0.038 1.00 9.67 C ATOM 863 C VAL A 58 -18.129 6.313 0.954 1.00 9.26 C ATOM 864 O VAL A 58 -19.224 6.562 1.449 1.00 9.83 O ATOM 865 CB VAL A 58 -18.597 5.599 -1.385 1.00 8.84 C ATOM 866 CG1 VAL A 58 -17.909 6.867 -1.913 1.00 10.29 C ATOM 867 CG2 VAL A 58 -18.518 4.460 -2.417 1.00 10.34 C ATOM 868 HA VAL A 58 -16.950 4.890 -0.185 1.00 0.00 H ATOM 869 HB VAL A 58 -19.648 5.835 -1.221 1.00 0.00 H ATOM 870 HG11 VAL A 58 -18.039 7.676 -1.194 1.00 0.00 H ATOM 871 HG12 VAL A 58 -16.846 6.671 -2.053 1.00 0.00 H ATOM 872 HG13 VAL A 58 -18.356 7.151 -2.866 1.00 0.00 H ATOM 873 HG21 VAL A 58 -17.475 4.183 -2.571 1.00 0.00 H ATOM 874 HG22 VAL A 58 -19.074 3.598 -2.048 1.00 0.00 H ATOM 875 HG23 VAL A 58 -18.949 4.795 -3.360 1.00 0.00 H ATOM 876 H VAL A 58 -19.726 4.119 0.733 1.00 0.00 H ATOM 877 N PRO A 59 -17.022 7.019 1.258 1.00 11.33 N ATOM 878 CA PRO A 59 -17.092 8.157 2.187 1.00 12.14 C ATOM 879 C PRO A 59 -18.040 9.253 1.695 1.00 11.41 C ATOM 880 O PRO A 59 -18.171 9.468 0.481 1.00 10.09 O ATOM 881 CB PRO A 59 -15.648 8.679 2.209 1.00 14.55 C ATOM 882 CG PRO A 59 -14.814 7.529 1.766 1.00 14.88 C ATOM 883 CD PRO A 59 -15.648 6.777 0.785 1.00 13.12 C ATOM 884 HA PRO A 59 -17.475 7.863 3.164 1.00 0.00 H ATOM 885 HD3 PRO A 59 -15.508 7.163 -0.225 1.00 0.00 H ATOM 886 HD2 PRO A 59 -15.410 5.714 0.803 1.00 0.00 H ATOM 887 HG3 PRO A 59 -14.561 6.894 2.615 1.00 0.00 H ATOM 888 HG2 PRO A 59 -13.898 7.884 1.293 1.00 0.00 H ATOM 889 HB2 PRO A 59 -15.534 9.520 1.526 1.00 0.00 H ATOM 890 HB3 PRO A 59 -15.368 8.990 3.216 1.00 0.00 H ATOM 891 N ASP A 60 -18.698 9.949 2.621 1.00 11.90 N ATOM 892 CA ASP A 60 -19.690 10.935 2.203 1.00 13.45 C ATOM 893 C ASP A 60 -19.098 12.196 1.559 1.00 11.41 C ATOM 894 O ASP A 60 -19.843 13.009 1.005 1.00 12.92 O ATOM 895 CB ASP A 60 -20.740 11.237 3.296 1.00 19.03 C ATOM 896 CG ASP A 60 -20.215 12.100 4.425 1.00 21.73 C ATOM 897 OD1 ASP A 60 -19.135 12.701 4.302 1.00 21.85 O ATOM 898 OD2 ASP A 60 -20.928 12.203 5.446 1.00 27.19 O ATOM 899 HA ASP A 60 -20.235 10.452 1.392 1.00 0.00 H ATOM 900 HB2 ASP A 60 -21.581 11.752 2.832 1.00 0.00 H ATOM 901 HB3 ASP A 60 -21.081 10.291 3.716 1.00 0.00 H ATOM 902 H ASP A 60 -18.507 9.792 3.631 1.00 0.00 H ATOM 903 N ARG A 61 -17.770 12.337 1.582 1.00 9.32 N ATOM 904 CA ARG A 61 -17.135 13.495 0.949 1.00 8.58 C ATOM 905 C ARG A 61 -17.110 13.395 -0.577 1.00 8.40 C ATOM 906 O ARG A 61 -16.775 14.363 -1.257 1.00 9.33 O ATOM 907 CB ARG A 61 -15.718 13.736 1.489 1.00 7.24 C ATOM 908 CG ARG A 61 -14.737 12.587 1.256 1.00 6.95 C ATOM 909 CD ARG A 61 -13.365 12.921 1.856 1.00 6.67 C ATOM 910 NE ARG A 61 -12.426 11.806 1.753 1.00 7.04 N ATOM 911 CZ ARG A 61 -12.395 10.769 2.586 1.00 6.96 C ATOM 912 NH1 ARG A 61 -13.258 10.690 3.591 1.00 6.72 N ATOM 913 NH2 ARG A 61 -11.504 9.805 2.408 1.00 8.59 N ATOM 914 HA ARG A 61 -17.755 14.352 1.211 1.00 0.00 H ATOM 915 HB2 ARG A 61 -15.318 14.627 1.005 1.00 0.00 H ATOM 916 HB3 ARG A 61 -15.789 13.908 2.563 1.00 0.00 H ATOM 917 HG2 ARG A 61 -15.124 11.683 1.727 1.00 0.00 H ATOM 918 HG3 ARG A 61 -14.629 12.419 0.184 1.00 0.00 H ATOM 919 HD2 ARG A 61 -13.495 13.174 2.908 1.00 0.00 H ATOM 920 HD3 ARG A 61 -12.950 13.779 1.326 1.00 0.00 H ATOM 921 HE ARG A 61 -11.735 11.824 0.976 1.00 0.00 H ATOM 922 HH12 ARG A 61 -13.229 9.877 4.239 1.00 0.00 H ATOM 923 HH11 ARG A 61 -13.964 11.441 3.731 1.00 0.00 H ATOM 924 HH22 ARG A 61 -11.479 8.994 3.058 1.00 0.00 H ATOM 925 HH21 ARG A 61 -10.830 9.859 1.618 1.00 0.00 H ATOM 926 H ARG A 61 -17.183 11.619 2.053 1.00 0.00 H ATOM 927 N PHE A 62 -17.481 12.236 -1.119 1.00 9.02 N ATOM 928 CA PHE A 62 -17.545 12.050 -2.569 1.00 8.56 C ATOM 929 C PHE A 62 -18.960 12.272 -3.085 1.00 8.01 C ATOM 930 O PHE A 62 -19.918 11.748 -2.521 1.00 9.87 O ATOM 931 CB PHE A 62 -17.128 10.629 -2.952 1.00 9.24 C ATOM 932 CG PHE A 62 -15.664 10.363 -2.814 1.00 8.61 C ATOM 933 CD1 PHE A 62 -14.787 10.658 -3.857 1.00 9.08 C ATOM 934 CD2 PHE A 62 -15.154 9.816 -1.653 1.00 11.94 C ATOM 935 CE1 PHE A 62 -13.432 10.414 -3.736 1.00 10.36 C ATOM 936 CE2 PHE A 62 -13.799 9.568 -1.528 1.00 12.59 C ATOM 937 CZ PHE A 62 -12.937 9.866 -2.566 1.00 11.25 C ATOM 938 HA PHE A 62 -16.866 12.777 -3.014 1.00 0.00 H ATOM 939 HB2 PHE A 62 -17.665 9.930 -2.311 1.00 0.00 H ATOM 940 HB3 PHE A 62 -17.411 10.458 -3.991 1.00 0.00 H ATOM 941 HD2 PHE A 62 -15.825 9.578 -0.828 1.00 0.00 H ATOM 942 HE2 PHE A 62 -13.409 9.136 -0.606 1.00 0.00 H ATOM 943 HZ PHE A 62 -11.870 9.670 -2.463 1.00 0.00 H ATOM 944 HE1 PHE A 62 -12.757 10.652 -4.558 1.00 0.00 H ATOM 945 HD1 PHE A 62 -15.175 11.087 -4.781 1.00 0.00 H ATOM 946 H PHE A 62 -17.732 11.443 -0.495 1.00 0.00 H ATOM 947 N SER A 63 -19.101 13.034 -4.164 1.00 7.13 N ATOM 948 CA SER A 63 -20.398 13.146 -4.829 1.00 8.59 C ATOM 949 C SER A 63 -20.194 13.284 -6.329 1.00 8.01 C ATOM 950 O SER A 63 -19.178 13.807 -6.780 1.00 10.63 O ATOM 951 CB SER A 63 -21.208 14.324 -4.285 1.00 10.56 C ATOM 952 OG SER A 63 -20.560 15.550 -4.546 1.00 13.40 O ATOM 953 HA SER A 63 -20.967 12.239 -4.625 1.00 0.00 H ATOM 954 HB2 SER A 63 -21.328 14.207 -3.208 1.00 0.00 H ATOM 955 HB3 SER A 63 -22.189 14.331 -4.760 1.00 0.00 H ATOM 956 HG SER A 63 -19.670 15.550 -4.113 1.00 0.00 H ATOM 957 H SER A 63 -18.282 13.555 -4.538 1.00 0.00 H ATOM 958 N GLY A 64 -21.149 12.791 -7.106 1.00 7.68 N ATOM 959 CA GLY A 64 -21.059 12.888 -8.545 1.00 7.38 C ATOM 960 C GLY A 64 -22.170 13.743 -9.111 1.00 8.32 C ATOM 961 O GLY A 64 -23.271 13.813 -8.550 1.00 11.06 O ATOM 962 HA3 GLY A 64 -21.128 11.888 -8.973 1.00 0.00 H ATOM 963 HA2 GLY A 64 -20.099 13.331 -8.812 1.00 0.00 H ATOM 964 H GLY A 64 -21.974 12.328 -6.674 1.00 0.00 H ATOM 965 N SER A 65 -21.889 14.380 -10.237 1.00 8.45 N ATOM 966 CA SER A 65 -22.907 15.149 -10.934 1.00 9.32 C ATOM 967 C SER A 65 -22.583 15.254 -12.416 1.00 8.85 C ATOM 968 O SER A 65 -21.539 14.774 -12.874 1.00 8.24 O ATOM 969 CB SER A 65 -23.013 16.543 -10.334 1.00 10.01 C ATOM 970 OG SER A 65 -21.827 17.263 -10.589 1.00 11.94 O ATOM 971 HA SER A 65 -23.860 14.633 -10.820 1.00 0.00 H ATOM 972 HB2 SER A 65 -23.164 16.464 -9.257 1.00 0.00 H ATOM 973 HB3 SER A 65 -23.858 17.067 -10.781 1.00 0.00 H ATOM 974 HG SER A 65 -21.060 16.788 -10.182 1.00 0.00 H ATOM 975 H SER A 65 -20.927 14.330 -10.628 1.00 0.00 H ATOM 976 N LYS A 66 -23.503 15.852 -13.167 1.00 12.33 N ATOM 977 CA LYS A 66 -23.302 16.099 -14.588 1.00 13.01 C ATOM 978 C LYS A 66 -23.746 17.510 -14.985 1.00 15.08 C ATOM 979 O LYS A 66 -24.619 18.106 -14.352 1.00 15.08 O ATOM 980 CB LYS A 66 -24.055 15.075 -15.434 1.00 16.20 C ATOM 981 CG LYS A 66 -23.658 13.638 -15.180 1.00 14.29 C ATOM 982 CD LYS A 66 -23.827 12.793 -16.439 1.00 17.76 C ATOM 983 CE LYS A 66 -25.244 12.861 -16.990 1.00 18.13 C ATOM 984 NZ LYS A 66 -25.545 11.694 -17.877 1.00 14.48 N ATOM 985 HA LYS A 66 -22.233 16.005 -14.777 1.00 0.00 H ATOM 986 HB2 LYS A 66 -25.120 15.177 -15.224 1.00 0.00 H ATOM 987 HB3 LYS A 66 -23.870 15.299 -16.485 1.00 0.00 H ATOM 988 HG2 LYS A 66 -22.615 13.606 -14.867 1.00 0.00 H ATOM 989 HG3 LYS A 66 -24.286 13.229 -14.389 1.00 0.00 H ATOM 990 HD2 LYS A 66 -23.136 13.155 -17.200 1.00 0.00 H ATOM 991 HD3 LYS A 66 -23.592 11.756 -16.200 1.00 0.00 H ATOM 992 HE2 LYS A 66 -25.357 13.781 -17.564 1.00 0.00 H ATOM 993 HE3 LYS A 66 -25.948 12.864 -16.158 1.00 0.00 H ATOM 994 HZ1 LYS A 66 -24.880 11.688 -18.677 1.00 0.00 H ATOM 995 HZ2 LYS A 66 -25.445 10.813 -17.334 1.00 0.00 H ATOM 996 HZ3 LYS A 66 -26.519 11.774 -18.234 1.00 0.00 H ATOM 997 H LYS A 66 -24.395 16.153 -12.725 1.00 0.00 H ATOM 998 N SER A 67 -23.122 18.032 -16.034 1.00 13.33 N ATOM 999 CA SER A 67 -23.479 19.317 -16.625 1.00 12.85 C ATOM 1000 C SER A 67 -23.321 19.158 -18.137 1.00 14.81 C ATOM 1001 O SER A 67 -22.218 19.289 -18.668 1.00 16.60 O ATOM 1002 CB SER A 67 -22.552 20.419 -16.096 1.00 13.59 C ATOM 1003 OG SER A 67 -22.948 21.708 -16.554 1.00 16.00 O ATOM 1004 HA SER A 67 -24.499 19.603 -16.369 1.00 0.00 H ATOM 1005 HB2 SER A 67 -21.536 20.220 -16.437 1.00 0.00 H ATOM 1006 HB3 SER A 67 -22.577 20.408 -15.006 1.00 0.00 H ATOM 1007 HG SER A 67 -23.868 21.899 -16.243 1.00 0.00 H ATOM 1008 H SER A 67 -22.337 17.496 -16.457 1.00 0.00 H ATOM 1009 N GLY A 68 -24.423 18.855 -18.823 1.00 13.89 N ATOM 1010 CA GLY A 68 -24.400 18.644 -20.266 1.00 11.64 C ATOM 1011 C GLY A 68 -23.510 17.483 -20.706 1.00 9.49 C ATOM 1012 O GLY A 68 -23.771 16.315 -20.379 1.00 11.70 O ATOM 1013 HA3 GLY A 68 -24.036 19.555 -20.741 1.00 0.00 H ATOM 1014 HA2 GLY A 68 -25.418 18.443 -20.600 1.00 0.00 H ATOM 1015 H GLY A 68 -25.326 18.766 -18.314 1.00 0.00 H ATOM 1016 N THR A 69 -22.445 17.803 -21.441 1.00 7.57 N ATOM 1017 CA THR A 69 -21.532 16.787 -21.952 1.00 8.21 C ATOM 1018 C THR A 69 -20.419 16.434 -20.963 1.00 8.31 C ATOM 1019 O THR A 69 -19.537 15.623 -21.276 1.00 7.86 O ATOM 1020 CB THR A 69 -20.882 17.235 -23.275 1.00 7.77 C ATOM 1021 OG1 THR A 69 -20.187 18.476 -23.081 1.00 8.11 O ATOM 1022 CG2 THR A 69 -21.943 17.437 -24.354 1.00 9.54 C ATOM 1023 HA THR A 69 -22.145 15.900 -22.114 1.00 0.00 H ATOM 1024 HB THR A 69 -20.186 16.458 -23.591 1.00 0.00 H ATOM 1025 HG1 THR A 69 -19.484 18.355 -22.395 1.00 0.00 H ATOM 1026 HG23 THR A 69 -22.480 16.502 -24.513 1.00 0.00 H ATOM 1027 HG21 THR A 69 -22.642 18.209 -24.034 1.00 0.00 H ATOM 1028 HG22 THR A 69 -21.461 17.743 -25.283 1.00 0.00 H ATOM 1029 H THR A 69 -22.260 18.804 -21.656 1.00 0.00 H ATOM 1030 N SER A 70 -20.472 17.034 -19.776 1.00 8.16 N ATOM 1031 CA SER A 70 -19.440 16.862 -18.757 1.00 8.11 C ATOM 1032 C SER A 70 -19.986 16.210 -17.492 1.00 7.59 C ATOM 1033 O SER A 70 -21.135 16.453 -17.096 1.00 9.87 O ATOM 1034 CB SER A 70 -18.827 18.222 -18.406 1.00 11.05 C ATOM 1035 OG SER A 70 -17.934 18.104 -17.311 1.00 12.29 O ATOM 1036 HA SER A 70 -18.679 16.201 -19.171 1.00 0.00 H ATOM 1037 HB2 SER A 70 -19.625 18.917 -18.144 1.00 0.00 H ATOM 1038 HB3 SER A 70 -18.284 18.604 -19.271 1.00 0.00 H ATOM 1039 HG SER A 70 -18.424 17.761 -16.522 1.00 0.00 H ATOM 1040 H SER A 70 -21.282 17.651 -19.565 1.00 0.00 H ATOM 1041 N ALA A 71 -19.165 15.371 -16.867 1.00 6.51 N ATOM 1042 CA ALA A 71 -19.485 14.797 -15.567 1.00 6.75 C ATOM 1043 C ALA A 71 -18.389 15.199 -14.594 1.00 6.52 C ATOM 1044 O ALA A 71 -17.254 15.441 -15.002 1.00 7.42 O ATOM 1045 CB ALA A 71 -19.585 13.278 -15.660 1.00 7.41 C ATOM 1046 HA ALA A 71 -20.450 15.169 -15.222 1.00 0.00 H ATOM 1047 HB1 ALA A 71 -20.369 13.009 -16.368 1.00 0.00 H ATOM 1048 HB2 ALA A 71 -18.632 12.873 -16.001 1.00 0.00 H ATOM 1049 HB3 ALA A 71 -19.825 12.870 -14.678 1.00 0.00 H ATOM 1050 H ALA A 71 -18.265 15.116 -17.321 1.00 0.00 H ATOM 1051 N SER A 72 -18.719 15.285 -13.310 1.00 6.59 N ATOM 1052 CA SER A 72 -17.715 15.642 -12.315 1.00 7.41 C ATOM 1053 C SER A 72 -17.831 14.809 -11.041 1.00 7.50 C ATOM 1054 O SER A 72 -18.909 14.354 -10.668 1.00 8.71 O ATOM 1055 CB SER A 72 -17.747 17.140 -11.989 1.00 10.25 C ATOM 1056 OG SER A 72 -18.997 17.533 -11.467 1.00 14.17 O ATOM 1057 HA SER A 72 -16.748 15.413 -12.764 1.00 0.00 H ATOM 1058 HB2 SER A 72 -17.551 17.705 -12.901 1.00 0.00 H ATOM 1059 HB3 SER A 72 -16.972 17.359 -11.254 1.00 0.00 H ATOM 1060 HG SER A 72 -19.705 17.343 -12.132 1.00 0.00 H ATOM 1061 H SER A 72 -19.698 15.097 -13.013 1.00 0.00 H ATOM 1062 N LEU A 73 -16.694 14.611 -10.390 1.00 7.49 N ATOM 1063 CA LEU A 73 -16.629 13.945 -9.100 1.00 6.73 C ATOM 1064 C LEU A 73 -16.044 14.950 -8.120 1.00 6.43 C ATOM 1065 O LEU A 73 -14.893 15.382 -8.264 1.00 7.47 O ATOM 1066 CB LEU A 73 -15.748 12.695 -9.188 1.00 6.19 C ATOM 1067 CG LEU A 73 -15.613 11.877 -7.907 1.00 7.10 C ATOM 1068 CD1 LEU A 73 -16.922 11.150 -7.602 1.00 9.44 C ATOM 1069 CD2 LEU A 73 -14.457 10.892 -8.032 1.00 8.87 C ATOM 1070 HA LEU A 73 -17.617 13.618 -8.775 1.00 0.00 H ATOM 1071 HB2 LEU A 73 -16.168 12.045 -9.956 1.00 0.00 H ATOM 1072 HB3 LEU A 73 -14.749 13.012 -9.488 1.00 0.00 H ATOM 1073 HG LEU A 73 -15.399 12.551 -7.077 1.00 0.00 H ATOM 1074 HD21 LEU A 73 -14.644 10.219 -8.868 1.00 0.00 H ATOM 1075 HD22 LEU A 73 -13.531 11.440 -8.205 1.00 0.00 H ATOM 1076 HD23 LEU A 73 -14.372 10.315 -7.111 1.00 0.00 H ATOM 1077 HD11 LEU A 73 -17.721 11.881 -7.476 1.00 0.00 H ATOM 1078 HD12 LEU A 73 -17.166 10.482 -8.428 1.00 0.00 H ATOM 1079 HD13 LEU A 73 -16.810 10.571 -6.685 1.00 0.00 H ATOM 1080 H LEU A 73 -15.809 14.947 -10.821 1.00 0.00 H ATOM 1081 N ALA A 74 -16.852 15.345 -7.141 1.00 6.79 N ATOM 1082 CA ALA A 74 -16.433 16.343 -6.172 1.00 6.80 C ATOM 1083 C ALA A 74 -15.961 15.677 -4.890 1.00 7.28 C ATOM 1084 O ALA A 74 -16.670 14.843 -4.326 1.00 9.24 O ATOM 1085 CB ALA A 74 -17.581 17.297 -5.863 1.00 7.97 C ATOM 1086 HA ALA A 74 -15.606 16.908 -6.601 1.00 0.00 H ATOM 1087 HB1 ALA A 74 -17.891 17.799 -6.779 1.00 0.00 H ATOM 1088 HB2 ALA A 74 -18.420 16.734 -5.454 1.00 0.00 H ATOM 1089 HB3 ALA A 74 -17.250 18.038 -5.135 1.00 0.00 H ATOM 1090 H ALA A 74 -17.803 14.931 -7.067 1.00 0.00 H ATOM 1091 N ILE A 75 -14.779 16.069 -4.423 1.00 8.12 N ATOM 1092 CA ILE A 75 -14.273 15.611 -3.133 1.00 9.15 C ATOM 1093 C ILE A 75 -14.288 16.790 -2.182 1.00 9.61 C ATOM 1094 O ILE A 75 -13.505 17.734 -2.323 1.00 11.15 O ATOM 1095 CB ILE A 75 -12.847 15.057 -3.237 1.00 10.35 C ATOM 1096 CG1 ILE A 75 -12.771 14.024 -4.362 1.00 12.37 C ATOM 1097 CG2 ILE A 75 -12.412 14.459 -1.907 1.00 12.67 C ATOM 1098 CD1 ILE A 75 -11.383 13.481 -4.622 1.00 13.70 C ATOM 1099 HA ILE A 75 -14.908 14.801 -2.774 1.00 0.00 H ATOM 1100 HB ILE A 75 -12.162 15.871 -3.474 1.00 0.00 H ATOM 1101 HG12 ILE A 75 -13.421 13.188 -4.102 1.00 0.00 H ATOM 1102 HG13 ILE A 75 -13.131 14.491 -5.279 1.00 0.00 H ATOM 1103 HD11 ILE A 75 -10.719 14.301 -4.898 1.00 0.00 H ATOM 1104 HD12 ILE A 75 -11.009 12.997 -3.720 1.00 0.00 H ATOM 1105 HD13 ILE A 75 -11.424 12.756 -5.435 1.00 0.00 H ATOM 1106 HG21 ILE A 75 -12.439 15.230 -1.137 1.00 0.00 H ATOM 1107 HG22 ILE A 75 -13.089 13.649 -1.635 1.00 0.00 H ATOM 1108 HG23 ILE A 75 -11.398 14.071 -1.999 1.00 0.00 H ATOM 1109 H ILE A 75 -14.200 16.719 -4.992 1.00 0.00 H ATOM 1110 N SER A 76 -15.201 16.744 -1.222 1.00 11.27 N ATOM 1111 CA SER A 76 -15.380 17.858 -0.304 1.00 13.11 C ATOM 1112 C SER A 76 -14.511 17.677 0.925 1.00 13.52 C ATOM 1113 O SER A 76 -14.981 17.244 1.975 1.00 17.14 O ATOM 1114 CB SER A 76 -16.849 17.998 0.083 1.00 15.31 C ATOM 1115 OG SER A 76 -17.627 18.288 -1.063 1.00 17.92 O ATOM 1116 HA SER A 76 -15.072 18.776 -0.805 1.00 0.00 H ATOM 1117 HB2 SER A 76 -16.956 18.806 0.806 1.00 0.00 H ATOM 1118 HB3 SER A 76 -17.196 17.065 0.528 1.00 0.00 H ATOM 1119 HG SER A 76 -17.314 19.136 -1.467 1.00 0.00 H ATOM 1120 H SER A 76 -15.798 15.898 -1.124 1.00 0.00 H ATOM 1121 N GLY A 77 -13.234 17.996 0.780 1.00 12.96 N ATOM 1122 CA GLY A 77 -12.294 17.849 1.875 1.00 10.52 C ATOM 1123 C GLY A 77 -11.369 16.678 1.627 1.00 10.01 C ATOM 1124 O GLY A 77 -11.574 15.582 2.147 1.00 11.74 O ATOM 1125 HA3 GLY A 77 -12.845 17.681 2.801 1.00 0.00 H ATOM 1126 HA2 GLY A 77 -11.703 18.760 1.965 1.00 0.00 H ATOM 1127 H GLY A 77 -12.899 18.358 -0.135 1.00 0.00 H ATOM 1128 N LEU A 78 -10.341 16.919 0.826 1.00 10.25 N ATOM 1129 CA LEU A 78 -9.388 15.887 0.447 1.00 11.25 C ATOM 1130 C LEU A 78 -8.718 15.295 1.683 1.00 10.44 C ATOM 1131 O LEU A 78 -8.358 16.019 2.611 1.00 13.18 O ATOM 1132 CB LEU A 78 -8.337 16.521 -0.464 1.00 16.34 C ATOM 1133 CG LEU A 78 -7.523 15.711 -1.456 1.00 19.35 C ATOM 1134 CD1 LEU A 78 -8.405 14.852 -2.325 1.00 16.76 C ATOM 1135 CD2 LEU A 78 -6.734 16.696 -2.308 1.00 17.44 C ATOM 1136 HA LEU A 78 -9.905 15.081 -0.073 1.00 0.00 H ATOM 1137 HB2 LEU A 78 -8.859 17.279 -1.048 1.00 0.00 H ATOM 1138 HB3 LEU A 78 -7.617 17.005 0.195 1.00 0.00 H ATOM 1139 HG LEU A 78 -6.855 15.035 -0.922 1.00 0.00 H ATOM 1140 HD21 LEU A 78 -7.425 17.358 -2.830 1.00 0.00 H ATOM 1141 HD22 LEU A 78 -6.079 17.286 -1.667 1.00 0.00 H ATOM 1142 HD23 LEU A 78 -6.135 16.147 -3.035 1.00 0.00 H ATOM 1143 HD11 LEU A 78 -8.970 14.163 -1.698 1.00 0.00 H ATOM 1144 HD12 LEU A 78 -9.094 15.487 -2.881 1.00 0.00 H ATOM 1145 HD13 LEU A 78 -7.786 14.287 -3.022 1.00 0.00 H ATOM 1146 H LEU A 78 -10.211 17.882 0.455 1.00 0.00 H ATOM 1147 N ARG A 79 -8.569 13.975 1.700 1.00 9.45 N ATOM 1148 CA ARG A 79 -7.796 13.296 2.730 1.00 10.28 C ATOM 1149 C ARG A 79 -6.686 12.478 2.081 1.00 9.51 C ATOM 1150 O ARG A 79 -6.763 12.123 0.907 1.00 10.02 O ATOM 1151 CB ARG A 79 -8.692 12.388 3.571 1.00 11.13 C ATOM 1152 CG ARG A 79 -9.848 13.117 4.216 1.00 11.52 C ATOM 1153 CD ARG A 79 -10.501 12.299 5.314 1.00 12.10 C ATOM 1154 NE ARG A 79 -11.628 13.031 5.884 1.00 14.89 N ATOM 1155 CZ ARG A 79 -12.316 12.640 6.951 1.00 16.92 C ATOM 1156 NH1 ARG A 79 -11.992 11.520 7.581 1.00 15.93 N ATOM 1157 NH2 ARG A 79 -13.322 13.379 7.395 1.00 21.51 N ATOM 1158 HA ARG A 79 -7.357 14.046 3.388 1.00 0.00 H ATOM 1159 HB2 ARG A 79 -9.093 11.605 2.927 1.00 0.00 H ATOM 1160 HB3 ARG A 79 -8.086 11.936 4.357 1.00 0.00 H ATOM 1161 HG2 ARG A 79 -9.480 14.049 4.644 1.00 0.00 H ATOM 1162 HG3 ARG A 79 -10.594 13.338 3.452 1.00 0.00 H ATOM 1163 HD2 ARG A 79 -9.770 12.097 6.096 1.00 0.00 H ATOM 1164 HD3 ARG A 79 -10.857 11.356 4.898 1.00 0.00 H ATOM 1165 HE ARG A 79 -11.912 13.919 5.423 1.00 0.00 H ATOM 1166 HH12 ARG A 79 -12.533 11.218 8.416 1.00 0.00 H ATOM 1167 HH11 ARG A 79 -11.196 10.943 7.240 1.00 0.00 H ATOM 1168 HH22 ARG A 79 -13.862 13.075 8.230 1.00 0.00 H ATOM 1169 HH21 ARG A 79 -13.572 14.264 6.908 1.00 0.00 H ATOM 1170 H ARG A 79 -9.019 13.408 0.953 1.00 0.00 H ATOM 1171 N SER A 80 -5.657 12.169 2.857 1.00 12.79 N ATOM 1172 CA SER A 80 -4.511 11.428 2.342 1.00 13.62 C ATOM 1173 C SER A 80 -4.907 10.118 1.669 1.00 12.90 C ATOM 1174 O SER A 80 -4.320 9.740 0.655 1.00 14.28 O ATOM 1175 CB SER A 80 -3.514 11.148 3.464 1.00 17.25 C ATOM 1176 OG SER A 80 -4.106 10.329 4.462 1.00 22.33 O ATOM 1177 HA SER A 80 -4.049 12.057 1.581 1.00 0.00 H ATOM 1178 HB2 SER A 80 -3.203 12.092 3.912 1.00 0.00 H ATOM 1179 HB3 SER A 80 -2.643 10.639 3.052 1.00 0.00 H ATOM 1180 HG SER A 80 -4.387 9.470 4.058 1.00 0.00 H ATOM 1181 H SER A 80 -5.667 12.461 3.855 1.00 0.00 H ATOM 1182 N GLU A 81 -5.896 9.424 2.229 1.00 13.56 N ATOM 1183 CA GLU A 81 -6.325 8.143 1.667 1.00 12.88 C ATOM 1184 C GLU A 81 -7.077 8.274 0.344 1.00 13.19 C ATOM 1185 O GLU A 81 -7.478 7.272 -0.240 1.00 14.57 O ATOM 1186 CB GLU A 81 -7.166 7.359 2.670 1.00 13.96 C ATOM 1187 CG GLU A 81 -8.456 8.040 3.041 1.00 16.95 C ATOM 1188 CD GLU A 81 -8.378 8.735 4.387 1.00 22.19 C ATOM 1189 OE1 GLU A 81 -7.340 9.370 4.699 1.00 22.21 O ATOM 1190 OE2 GLU A 81 -9.366 8.637 5.136 1.00 23.67 O ATOM 1191 HA GLU A 81 -5.407 7.596 1.453 1.00 0.00 H ATOM 1192 HB2 GLU A 81 -7.402 6.387 2.237 1.00 0.00 H ATOM 1193 HB3 GLU A 81 -6.578 7.218 3.577 1.00 0.00 H ATOM 1194 HG2 GLU A 81 -8.693 8.781 2.278 1.00 0.00 H ATOM 1195 HG3 GLU A 81 -9.248 7.292 3.078 1.00 0.00 H ATOM 1196 H GLU A 81 -6.369 9.797 3.076 1.00 0.00 H ATOM 1197 N ASP A 82 -7.270 9.506 -0.120 1.00 10.88 N ATOM 1198 CA ASP A 82 -7.929 9.739 -1.403 1.00 9.68 C ATOM 1199 C ASP A 82 -6.934 9.715 -2.565 1.00 10.02 C ATOM 1200 O ASP A 82 -7.317 9.853 -3.732 1.00 10.57 O ATOM 1201 CB ASP A 82 -8.679 11.072 -1.403 1.00 11.10 C ATOM 1202 CG ASP A 82 -9.821 11.099 -0.423 1.00 11.87 C ATOM 1203 OD1 ASP A 82 -10.367 10.018 -0.096 1.00 13.65 O ATOM 1204 OD2 ASP A 82 -10.161 12.211 0.029 1.00 11.71 O ATOM 1205 HA ASP A 82 -8.642 8.926 -1.541 1.00 0.00 H ATOM 1206 HB2 ASP A 82 -7.979 11.866 -1.144 1.00 0.00 H ATOM 1207 HB3 ASP A 82 -9.074 11.250 -2.403 1.00 0.00 H ATOM 1208 H ASP A 82 -6.945 10.319 0.442 1.00 0.00 H ATOM 1209 N GLU A 83 -5.654 9.564 -2.247 1.00 10.07 N ATOM 1210 CA GLU A 83 -4.644 9.438 -3.286 1.00 10.11 C ATOM 1211 C GLU A 83 -4.851 8.119 -4.028 1.00 10.60 C ATOM 1212 O GLU A 83 -4.608 7.040 -3.483 1.00 13.43 O ATOM 1213 CB GLU A 83 -3.243 9.515 -2.679 1.00 12.46 C ATOM 1214 CG GLU A 83 -2.149 9.490 -3.714 1.00 14.46 C ATOM 1215 CD GLU A 83 -0.837 10.036 -3.189 1.00 19.23 C ATOM 1216 OE1 GLU A 83 -0.822 11.172 -2.654 1.00 18.04 O ATOM 1217 OE2 GLU A 83 0.180 9.328 -3.316 1.00 26.37 O ATOM 1218 HA GLU A 83 -4.742 10.261 -3.994 1.00 0.00 H ATOM 1219 HB2 GLU A 83 -3.162 10.441 -2.110 1.00 0.00 H ATOM 1220 HB3 GLU A 83 -3.107 8.665 -2.010 1.00 0.00 H ATOM 1221 HG2 GLU A 83 -1.995 8.460 -4.035 1.00 0.00 H ATOM 1222 HG3 GLU A 83 -2.461 10.092 -4.567 1.00 0.00 H ATOM 1223 H GLU A 83 -5.371 9.536 -1.247 1.00 0.00 H ATOM 1224 N ALA A 84 -5.310 8.219 -5.271 1.00 8.93 N ATOM 1225 CA ALA A 84 -5.754 7.065 -6.046 1.00 8.13 C ATOM 1226 C ALA A 84 -6.030 7.533 -7.459 1.00 7.86 C ATOM 1227 O ALA A 84 -5.926 8.729 -7.747 1.00 9.06 O ATOM 1228 CB ALA A 84 -7.031 6.480 -5.440 1.00 9.24 C ATOM 1229 HA ALA A 84 -4.986 6.292 -6.039 1.00 0.00 H ATOM 1230 HB1 ALA A 84 -6.835 6.167 -4.414 1.00 0.00 H ATOM 1231 HB2 ALA A 84 -7.815 7.237 -5.447 1.00 0.00 H ATOM 1232 HB3 ALA A 84 -7.350 5.620 -6.029 1.00 0.00 H ATOM 1233 H ALA A 84 -5.355 9.160 -5.711 1.00 0.00 H ATOM 1234 N ASP A 85 -6.364 6.592 -8.340 1.00 7.26 N ATOM 1235 CA ASP A 85 -6.735 6.903 -9.721 1.00 6.95 C ATOM 1236 C ASP A 85 -8.259 6.818 -9.834 1.00 8.39 C ATOM 1237 O ASP A 85 -8.852 5.843 -9.389 1.00 11.27 O ATOM 1238 CB ASP A 85 -6.072 5.902 -10.671 1.00 10.01 C ATOM 1239 CG ASP A 85 -5.894 6.434 -12.084 1.00 12.71 C ATOM 1240 OD1 ASP A 85 -6.480 7.476 -12.439 1.00 13.66 O ATOM 1241 OD2 ASP A 85 -5.153 5.783 -12.853 1.00 15.38 O ATOM 1242 HA ASP A 85 -6.399 7.904 -9.992 1.00 0.00 H ATOM 1243 HB2 ASP A 85 -5.090 5.645 -10.272 1.00 0.00 H ATOM 1244 HB3 ASP A 85 -6.691 5.006 -10.715 1.00 0.00 H ATOM 1245 H ASP A 85 -6.361 5.598 -8.035 1.00 0.00 H ATOM 1246 N TYR A 86 -8.885 7.844 -10.410 1.00 6.70 N ATOM 1247 CA TYR A 86 -10.337 7.906 -10.546 1.00 5.94 C ATOM 1248 C TYR A 86 -10.732 7.881 -12.015 1.00 6.10 C ATOM 1249 O TYR A 86 -10.281 8.718 -12.796 1.00 7.16 O ATOM 1250 CB TYR A 86 -10.866 9.177 -9.874 1.00 6.64 C ATOM 1251 CG TYR A 86 -10.595 9.189 -8.390 1.00 6.03 C ATOM 1252 CD1 TYR A 86 -9.368 9.614 -7.890 1.00 5.79 C ATOM 1253 CD2 TYR A 86 -11.547 8.732 -7.485 1.00 7.61 C ATOM 1254 CE1 TYR A 86 -9.106 9.602 -6.535 1.00 8.12 C ATOM 1255 CE2 TYR A 86 -11.300 8.721 -6.127 1.00 7.55 C ATOM 1256 CZ TYR A 86 -10.076 9.154 -5.656 1.00 6.47 C ATOM 1257 OH TYR A 86 -9.806 9.136 -4.309 1.00 8.84 O ATOM 1258 HA TYR A 86 -10.777 7.037 -10.057 1.00 0.00 H ATOM 1259 HB3 TYR A 86 -11.942 9.239 -10.036 1.00 0.00 H ATOM 1260 HB2 TYR A 86 -10.382 10.042 -10.327 1.00 0.00 H ATOM 1261 HD2 TYR A 86 -12.508 8.375 -7.856 1.00 0.00 H ATOM 1262 HE2 TYR A 86 -12.065 8.373 -5.432 1.00 0.00 H ATOM 1263 HE1 TYR A 86 -8.141 9.943 -6.160 1.00 0.00 H ATOM 1264 HD1 TYR A 86 -8.600 9.963 -8.581 1.00 0.00 H ATOM 1265 HH TYR A 86 -8.890 9.478 -4.153 1.00 0.00 H ATOM 1266 H TYR A 86 -8.316 8.633 -10.778 1.00 0.00 H ATOM 1267 N TYR A 87 -11.570 6.918 -12.381 1.00 6.99 N ATOM 1268 CA TYR A 87 -12.013 6.754 -13.762 1.00 6.43 C ATOM 1269 C TYR A 87 -13.496 7.048 -13.907 1.00 5.39 C ATOM 1270 O TYR A 87 -14.292 6.709 -13.034 1.00 7.03 O ATOM 1271 CB TYR A 87 -11.783 5.314 -14.228 1.00 7.67 C ATOM 1272 CG TYR A 87 -10.332 4.957 -14.446 1.00 6.54 C ATOM 1273 CD1 TYR A 87 -9.517 4.575 -13.385 1.00 7.84 C ATOM 1274 CD2 TYR A 87 -9.773 5.009 -15.721 1.00 8.47 C ATOM 1275 CE1 TYR A 87 -8.183 4.250 -13.591 1.00 9.11 C ATOM 1276 CE2 TYR A 87 -8.442 4.690 -15.932 1.00 10.54 C ATOM 1277 CZ TYR A 87 -7.651 4.309 -14.867 1.00 10.24 C ATOM 1278 OH TYR A 87 -6.324 3.979 -15.086 1.00 14.53 O ATOM 1279 HA TYR A 87 -11.436 7.455 -14.365 1.00 0.00 H ATOM 1280 HB3 TYR A 87 -12.316 5.170 -15.168 1.00 0.00 H ATOM 1281 HB2 TYR A 87 -12.191 4.641 -13.474 1.00 0.00 H ATOM 1282 HD2 TYR A 87 -10.394 5.306 -16.567 1.00 0.00 H ATOM 1283 HE2 TYR A 87 -8.020 4.740 -16.936 1.00 0.00 H ATOM 1284 HE1 TYR A 87 -7.557 3.949 -12.751 1.00 0.00 H ATOM 1285 HD1 TYR A 87 -9.932 4.530 -12.378 1.00 0.00 H ATOM 1286 HH TYR A 87 -6.274 3.214 -15.713 1.00 0.00 H ATOM 1287 H TYR A 87 -11.923 6.258 -11.659 1.00 0.00 H ATOM 1288 N CYS A 88 -13.868 7.656 -15.025 1.00 6.29 N ATOM 1289 CA CYS A 88 -15.276 7.762 -15.400 1.00 5.98 C ATOM 1290 C CYS A 88 -15.550 6.883 -16.620 1.00 4.87 C ATOM 1291 O CYS A 88 -14.642 6.574 -17.400 1.00 6.45 O ATOM 1292 CB CYS A 88 -15.635 9.213 -15.719 1.00 7.21 C ATOM 1293 SG CYS A 88 -14.706 9.925 -17.118 1.00 8.43 S ATOM 1294 HA CYS A 88 -15.889 7.426 -14.564 1.00 0.00 H ATOM 1295 HB2 CYS A 88 -15.436 9.817 -14.834 1.00 0.00 H ATOM 1296 HB3 CYS A 88 -16.698 9.258 -15.956 1.00 0.00 H ATOM 1297 H CYS A 88 -13.143 8.066 -15.648 1.00 0.00 H ATOM 1298 N LEU A 89 -16.799 6.462 -16.777 1.00 5.53 N ATOM 1299 CA LEU A 89 -17.190 5.677 -17.947 1.00 5.06 C ATOM 1300 C LEU A 89 -18.675 5.860 -18.208 1.00 5.31 C ATOM 1301 O LEU A 89 -19.424 6.257 -17.314 1.00 6.78 O ATOM 1302 CB LEU A 89 -16.874 4.185 -17.753 1.00 7.90 C ATOM 1303 CG LEU A 89 -17.698 3.468 -16.686 1.00 8.34 C ATOM 1304 CD1 LEU A 89 -18.680 2.483 -17.309 1.00 8.78 C ATOM 1305 CD2 LEU A 89 -16.783 2.723 -15.728 1.00 13.10 C ATOM 1306 HA LEU A 89 -16.617 6.032 -18.803 1.00 0.00 H ATOM 1307 HB2 LEU A 89 -17.044 3.680 -18.704 1.00 0.00 H ATOM 1308 HB3 LEU A 89 -15.822 4.098 -17.480 1.00 0.00 H ATOM 1309 HG LEU A 89 -18.263 4.226 -16.144 1.00 0.00 H ATOM 1310 HD21 LEU A 89 -16.200 1.988 -16.282 1.00 0.00 H ATOM 1311 HD22 LEU A 89 -16.111 3.432 -15.244 1.00 0.00 H ATOM 1312 HD23 LEU A 89 -17.384 2.217 -14.973 1.00 0.00 H ATOM 1313 HD11 LEU A 89 -19.361 3.020 -17.970 1.00 0.00 H ATOM 1314 HD12 LEU A 89 -18.130 1.736 -17.881 1.00 0.00 H ATOM 1315 HD13 LEU A 89 -19.249 1.991 -16.520 1.00 0.00 H ATOM 1316 H LEU A 89 -17.511 6.694 -16.056 1.00 0.00 H ATOM 1317 N SER A 90 -19.085 5.602 -19.446 1.00 5.79 N ATOM 1318 CA SER A 90 -20.496 5.561 -19.796 1.00 6.78 C ATOM 1319 C SER A 90 -20.667 4.747 -21.067 1.00 6.70 C ATOM 1320 O SER A 90 -19.697 4.380 -21.725 1.00 7.35 O ATOM 1321 CB SER A 90 -21.065 6.968 -20.013 1.00 8.16 C ATOM 1322 OG SER A 90 -20.734 7.456 -21.296 1.00 8.54 O ATOM 1323 HA SER A 90 -21.040 5.102 -18.971 1.00 0.00 H ATOM 1324 HB2 SER A 90 -20.654 7.639 -19.259 1.00 0.00 H ATOM 1325 HB3 SER A 90 -22.150 6.933 -19.914 1.00 0.00 H ATOM 1326 HG SER A 90 -21.109 6.852 -21.985 1.00 0.00 H ATOM 1327 H SER A 90 -18.376 5.424 -20.186 1.00 0.00 H ATOM 1328 N TRP A 91 -21.911 4.471 -21.414 1.00 6.91 N ATOM 1329 CA TRP A 91 -22.211 3.957 -22.739 1.00 6.37 C ATOM 1330 C TRP A 91 -22.037 5.087 -23.749 1.00 6.73 C ATOM 1331 O TRP A 91 -22.201 6.267 -23.414 1.00 7.21 O ATOM 1332 CB TRP A 91 -23.643 3.443 -22.775 1.00 7.99 C ATOM 1333 CG TRP A 91 -24.033 2.780 -24.056 1.00 9.97 C ATOM 1334 CD1 TRP A 91 -24.812 3.301 -25.058 1.00 11.86 C ATOM 1335 CD2 TRP A 91 -23.679 1.460 -24.466 1.00 9.80 C ATOM 1336 NE1 TRP A 91 -24.966 2.373 -26.061 1.00 12.48 N ATOM 1337 CE2 TRP A 91 -24.278 1.235 -25.723 1.00 11.25 C ATOM 1338 CE3 TRP A 91 -22.914 0.441 -23.887 1.00 11.71 C ATOM 1339 CZ2 TRP A 91 -24.132 0.033 -26.414 1.00 12.43 C ATOM 1340 CZ3 TRP A 91 -22.774 -0.748 -24.571 1.00 13.45 C ATOM 1341 CH2 TRP A 91 -23.376 -0.942 -25.826 1.00 13.65 C ATOM 1342 HA TRP A 91 -21.538 3.136 -22.985 1.00 0.00 H ATOM 1343 HB2 TRP A 91 -23.766 2.722 -21.967 1.00 0.00 H ATOM 1344 HB3 TRP A 91 -24.312 4.288 -22.611 1.00 0.00 H ATOM 1345 HE1 TRP A 91 -25.515 2.511 -26.934 1.00 0.00 H ATOM 1346 HD1 TRP A 91 -25.244 4.302 -25.059 1.00 0.00 H ATOM 1347 HZ2 TRP A 91 -24.602 -0.123 -27.385 1.00 0.00 H ATOM 1348 HH2 TRP A 91 -23.237 -1.892 -26.342 1.00 0.00 H ATOM 1349 HZ3 TRP A 91 -22.185 -1.553 -24.130 1.00 0.00 H ATOM 1350 HE3 TRP A 91 -22.439 0.584 -22.916 1.00 0.00 H ATOM 1351 H TRP A 91 -22.682 4.623 -20.733 1.00 0.00 H ATOM 1352 N ASP A 92 -21.701 4.716 -24.982 1.00 7.46 N ATOM 1353 CA ASP A 92 -21.650 5.651 -26.093 1.00 7.54 C ATOM 1354 C ASP A 92 -22.597 5.153 -27.185 1.00 8.09 C ATOM 1355 O ASP A 92 -22.395 4.066 -27.715 1.00 8.98 O ATOM 1356 CB ASP A 92 -20.215 5.755 -26.623 1.00 8.59 C ATOM 1357 CG ASP A 92 -20.054 6.833 -27.672 1.00 8.40 C ATOM 1358 OD1 ASP A 92 -20.750 6.782 -28.702 1.00 9.39 O ATOM 1359 OD2 ASP A 92 -19.210 7.728 -27.487 1.00 12.81 O ATOM 1360 HA ASP A 92 -21.960 6.644 -25.768 1.00 0.00 H ATOM 1361 HB2 ASP A 92 -19.551 5.979 -25.788 1.00 0.00 H ATOM 1362 HB3 ASP A 92 -19.935 4.797 -27.062 1.00 0.00 H ATOM 1363 H ASP A 92 -21.466 3.718 -25.157 1.00 0.00 H ATOM 1364 N ASP A 93 -23.613 5.955 -27.525 1.00 9.51 N ATOM 1365 CA ASP A 93 -24.650 5.639 -28.520 1.00 10.26 C ATOM 1366 C ASP A 93 -24.138 5.513 -29.948 1.00 11.38 C ATOM 1367 O ASP A 93 -24.775 4.898 -30.799 1.00 15.19 O ATOM 1368 CB ASP A 93 -25.703 6.755 -28.559 1.00 13.11 C ATOM 1369 CG ASP A 93 -26.359 7.008 -27.221 1.00 14.33 C ATOM 1370 OD1 ASP A 93 -26.301 6.142 -26.329 1.00 15.84 O ATOM 1371 OD2 ASP A 93 -26.956 8.088 -27.072 1.00 17.35 O ATOM 1372 HA ASP A 93 -25.048 4.677 -28.198 1.00 0.00 H ATOM 1373 HB2 ASP A 93 -25.220 7.675 -28.887 1.00 0.00 H ATOM 1374 HB3 ASP A 93 -26.476 6.477 -29.276 1.00 0.00 H ATOM 1375 H ASP A 93 -23.675 6.877 -27.047 1.00 0.00 H ATOM 1376 N SER A 94 -23.024 6.181 -30.227 1.00 9.20 N ATOM 1377 CA SER A 94 -22.470 6.231 -31.578 1.00 8.71 C ATOM 1378 C SER A 94 -21.498 5.073 -31.794 1.00 9.24 C ATOM 1379 O SER A 94 -21.551 4.369 -32.814 1.00 10.46 O ATOM 1380 CB SER A 94 -21.768 7.574 -31.802 1.00 10.41 C ATOM 1381 OG SER A 94 -21.472 7.780 -33.169 1.00 9.02 O ATOM 1382 HA SER A 94 -23.281 6.136 -32.300 1.00 0.00 H ATOM 1383 HB2 SER A 94 -20.839 7.588 -31.232 1.00 0.00 H ATOM 1384 HB3 SER A 94 -22.419 8.377 -31.455 1.00 0.00 H ATOM 1385 HG SER A 94 -21.020 8.654 -33.280 1.00 0.00 H ATOM 1386 H SER A 94 -22.532 6.683 -29.461 1.00 0.00 H ATOM 1387 N LEU A 95 -20.616 4.876 -30.820 1.00 9.79 N ATOM 1388 CA LEU A 95 -19.679 3.755 -30.850 1.00 11.15 C ATOM 1389 C LEU A 95 -20.392 2.450 -30.524 1.00 13.84 C ATOM 1390 O LEU A 95 -19.887 1.358 -30.826 1.00 14.03 O ATOM 1391 CB LEU A 95 -18.536 3.991 -29.858 1.00 11.36 C ATOM 1392 CG LEU A 95 -17.503 5.006 -30.354 1.00 11.74 C ATOM 1393 CD1 LEU A 95 -16.639 5.517 -29.205 1.00 13.53 C ATOM 1394 CD2 LEU A 95 -16.630 4.405 -31.461 1.00 11.79 C ATOM 1395 HA LEU A 95 -19.265 3.682 -31.856 1.00 0.00 H ATOM 1396 HB2 LEU A 95 -18.959 4.357 -28.923 1.00 0.00 H ATOM 1397 HB3 LEU A 95 -18.031 3.042 -29.680 1.00 0.00 H ATOM 1398 HG LEU A 95 -18.046 5.854 -30.772 1.00 0.00 H ATOM 1399 HD21 LEU A 95 -16.105 3.532 -31.074 1.00 0.00 H ATOM 1400 HD22 LEU A 95 -17.261 4.109 -32.299 1.00 0.00 H ATOM 1401 HD23 LEU A 95 -15.905 5.148 -31.794 1.00 0.00 H ATOM 1402 HD11 LEU A 95 -17.274 6.000 -28.462 1.00 0.00 H ATOM 1403 HD12 LEU A 95 -16.113 4.679 -28.747 1.00 0.00 H ATOM 1404 HD13 LEU A 95 -15.915 6.236 -29.588 1.00 0.00 H ATOM 1405 H LEU A 95 -20.592 5.536 -30.016 1.00 0.00 H ATOM 1406 N ASN A 95A -21.562 2.573 -29.903 1.00 11.77 N ATOM 1407 CA ASN A 95A -22.331 1.394 -29.518 1.00 11.33 C ATOM 1408 C ASN A 95A -21.528 0.482 -28.593 1.00 11.66 C ATOM 1409 O ASN A 95A -21.471 -0.733 -28.806 1.00 13.68 O ATOM 1410 CB ASN A 95A -22.772 0.616 -30.761 1.00 11.98 C ATOM 1411 CG ASN A 95A -23.862 -0.384 -30.464 1.00 14.32 C ATOM 1412 OD1 ASN A 95A -24.693 -0.170 -29.582 1.00 15.86 O ATOM 1413 ND2 ASN A 95A -23.867 -1.488 -31.200 1.00 15.56 N ATOM 1414 HA ASN A 95A -23.213 1.737 -28.976 1.00 0.00 H ATOM 1415 HB2 ASN A 95A -23.140 1.324 -31.504 1.00 0.00 H ATOM 1416 HB3 ASN A 95A -21.910 0.084 -31.164 1.00 0.00 H ATOM 1417 HD22 ASN A 95A -23.144 -1.626 -31.935 1.00 0.00 H ATOM 1418 HD21 ASN A 95A -24.594 -2.215 -31.042 1.00 0.00 H ATOM 1419 H ASN A 95A -21.933 3.521 -29.689 1.00 0.00 H ATOM 1420 N GLY A 95B -20.905 1.073 -27.585 1.00 10.13 N ATOM 1421 CA GLY A 95B -20.103 0.334 -26.638 1.00 10.39 C ATOM 1422 C GLY A 95B -19.712 1.237 -25.493 1.00 9.29 C ATOM 1423 O GLY A 95B -20.048 2.434 -25.476 1.00 8.78 O ATOM 1424 HA3 GLY A 95B -19.205 -0.035 -27.133 1.00 0.00 H ATOM 1425 HA2 GLY A 95B -20.678 -0.509 -26.255 1.00 0.00 H ATOM 1426 H GLY A 95B -20.996 2.103 -27.472 1.00 0.00 H ATOM 1427 N TRP A 96 -19.001 0.655 -24.534 1.00 9.54 N ATOM 1428 CA TRP A 96 -18.530 1.385 -23.368 1.00 7.99 C ATOM 1429 C TRP A 96 -17.371 2.287 -23.734 1.00 9.25 C ATOM 1430 O TRP A 96 -16.511 1.920 -24.539 1.00 11.95 O ATOM 1431 CB TRP A 96 -18.124 0.419 -22.243 1.00 9.71 C ATOM 1432 CG TRP A 96 -19.250 -0.480 -21.890 1.00 10.97 C ATOM 1433 CD1 TRP A 96 -19.379 -1.806 -22.215 1.00 13.23 C ATOM 1434 CD2 TRP A 96 -20.454 -0.117 -21.205 1.00 9.92 C ATOM 1435 NE1 TRP A 96 -20.577 -2.291 -21.752 1.00 13.54 N ATOM 1436 CE2 TRP A 96 -21.255 -1.279 -21.125 1.00 11.89 C ATOM 1437 CE3 TRP A 96 -20.926 1.072 -20.630 1.00 9.16 C ATOM 1438 CZ2 TRP A 96 -22.505 -1.286 -20.511 1.00 11.71 C ATOM 1439 CZ3 TRP A 96 -22.174 1.063 -20.010 1.00 10.00 C ATOM 1440 CH2 TRP A 96 -22.952 -0.111 -19.967 1.00 10.03 C ATOM 1441 HA TRP A 96 -19.350 2.006 -23.006 1.00 0.00 H ATOM 1442 HB2 TRP A 96 -17.277 -0.182 -22.575 1.00 0.00 H ATOM 1443 HB3 TRP A 96 -17.836 0.995 -21.363 1.00 0.00 H ATOM 1444 HE1 TRP A 96 -20.915 -3.269 -21.860 1.00 0.00 H ATOM 1445 HD1 TRP A 96 -18.638 -2.390 -22.761 1.00 0.00 H ATOM 1446 HZ2 TRP A 96 -23.106 -2.194 -20.465 1.00 0.00 H ATOM 1447 HH2 TRP A 96 -23.932 -0.084 -19.490 1.00 0.00 H ATOM 1448 HZ3 TRP A 96 -22.553 1.976 -19.552 1.00 0.00 H ATOM 1449 HE3 TRP A 96 -20.329 1.984 -20.667 1.00 0.00 H ATOM 1450 H TRP A 96 -18.774 -0.356 -24.620 1.00 0.00 H ATOM 1451 N VAL A 97 -17.364 3.476 -23.143 1.00 8.25 N ATOM 1452 CA VAL A 97 -16.241 4.391 -23.272 1.00 8.13 C ATOM 1453 C VAL A 97 -15.765 4.807 -21.888 1.00 5.94 C ATOM 1454 O VAL A 97 -16.548 4.814 -20.920 1.00 6.66 O ATOM 1455 CB VAL A 97 -16.570 5.629 -24.135 1.00 6.99 C ATOM 1456 CG1 VAL A 97 -16.831 5.210 -25.589 1.00 8.93 C ATOM 1457 CG2 VAL A 97 -17.750 6.429 -23.577 1.00 8.09 C ATOM 1458 HA VAL A 97 -15.443 3.862 -23.794 1.00 0.00 H ATOM 1459 HB VAL A 97 -15.702 6.287 -24.107 1.00 0.00 H ATOM 1460 HG11 VAL A 97 -15.943 4.721 -25.990 1.00 0.00 H ATOM 1461 HG12 VAL A 97 -17.673 4.519 -25.621 1.00 0.00 H ATOM 1462 HG13 VAL A 97 -17.061 6.093 -26.185 1.00 0.00 H ATOM 1463 HG21 VAL A 97 -18.635 5.794 -23.545 1.00 0.00 H ATOM 1464 HG22 VAL A 97 -17.511 6.772 -22.570 1.00 0.00 H ATOM 1465 HG23 VAL A 97 -17.941 7.289 -24.220 1.00 0.00 H ATOM 1466 H VAL A 97 -18.185 3.761 -22.572 1.00 0.00 H ATOM 1467 N PHE A 98 -14.486 5.156 -21.804 1.00 7.27 N ATOM 1468 CA PHE A 98 -13.829 5.392 -20.530 1.00 6.59 C ATOM 1469 C PHE A 98 -12.957 6.617 -20.638 1.00 6.91 C ATOM 1470 O PHE A 98 -12.484 6.955 -21.725 1.00 8.00 O ATOM 1471 CB PHE A 98 -12.920 4.209 -20.176 1.00 8.06 C ATOM 1472 CG PHE A 98 -13.628 2.888 -20.113 1.00 8.02 C ATOM 1473 CD1 PHE A 98 -14.036 2.362 -18.892 1.00 9.68 C ATOM 1474 CD2 PHE A 98 -13.890 2.170 -21.270 1.00 10.25 C ATOM 1475 CE1 PHE A 98 -14.690 1.143 -18.831 1.00 11.30 C ATOM 1476 CE2 PHE A 98 -14.544 0.943 -21.214 1.00 11.35 C ATOM 1477 CZ PHE A 98 -14.943 0.433 -20.001 1.00 12.14 C ATOM 1478 HA PHE A 98 -14.595 5.521 -19.765 1.00 0.00 H ATOM 1479 HB2 PHE A 98 -12.136 4.142 -20.931 1.00 0.00 H ATOM 1480 HB3 PHE A 98 -12.470 4.403 -19.203 1.00 0.00 H ATOM 1481 HD2 PHE A 98 -13.580 2.571 -22.235 1.00 0.00 H ATOM 1482 HE2 PHE A 98 -14.740 0.387 -22.131 1.00 0.00 H ATOM 1483 HZ PHE A 98 -15.457 -0.527 -19.956 1.00 0.00 H ATOM 1484 HE1 PHE A 98 -15.006 0.740 -17.869 1.00 0.00 H ATOM 1485 HD1 PHE A 98 -13.839 2.915 -17.974 1.00 0.00 H ATOM 1486 H PHE A 98 -13.936 5.264 -22.680 1.00 0.00 H ATOM 1487 N GLY A 99 -12.744 7.273 -19.505 1.00 6.78 N ATOM 1488 CA GLY A 99 -11.656 8.225 -19.384 1.00 6.75 C ATOM 1489 C GLY A 99 -10.343 7.492 -19.141 1.00 8.12 C ATOM 1490 O GLY A 99 -10.316 6.293 -18.848 1.00 8.47 O ATOM 1491 HA3 GLY A 99 -11.855 8.896 -18.548 1.00 0.00 H ATOM 1492 HA2 GLY A 99 -11.580 8.805 -20.304 1.00 0.00 H ATOM 1493 H GLY A 99 -13.367 7.102 -18.690 1.00 0.00 H ATOM 1494 N GLY A 100 -9.240 8.222 -19.242 1.00 7.56 N ATOM 1495 CA GLY A 100 -7.927 7.644 -19.014 1.00 8.78 C ATOM 1496 C GLY A 100 -7.525 7.617 -17.551 1.00 8.24 C ATOM 1497 O GLY A 100 -6.434 7.146 -17.214 1.00 9.89 O ATOM 1498 HA3 GLY A 100 -7.191 8.231 -19.564 1.00 0.00 H ATOM 1499 HA2 GLY A 100 -7.930 6.621 -19.391 1.00 0.00 H ATOM 1500 H GLY A 100 -9.317 9.229 -19.490 1.00 0.00 H ATOM 1501 N GLY A 101 -8.401 8.127 -16.684 1.00 7.44 N ATOM 1502 CA GLY A 101 -8.141 8.188 -15.253 1.00 8.13 C ATOM 1503 C GLY A 101 -7.439 9.460 -14.811 1.00 8.58 C ATOM 1504 O GLY A 101 -6.516 9.949 -15.481 1.00 9.87 O ATOM 1505 HA3 GLY A 101 -7.516 7.338 -14.981 1.00 0.00 H ATOM 1506 HA2 GLY A 101 -9.093 8.120 -14.727 1.00 0.00 H ATOM 1507 H GLY A 101 -9.304 8.495 -17.044 1.00 0.00 H ATOM 1508 N THR A 102 -7.880 10.004 -13.680 1.00 7.98 N ATOM 1509 CA THR A 102 -7.181 11.113 -13.041 1.00 7.38 C ATOM 1510 C THR A 102 -6.549 10.622 -11.752 1.00 7.57 C ATOM 1511 O THR A 102 -7.246 10.169 -10.845 1.00 8.52 O ATOM 1512 CB THR A 102 -8.145 12.259 -12.708 1.00 7.82 C ATOM 1513 OG1 THR A 102 -8.693 12.787 -13.928 1.00 8.42 O ATOM 1514 CG2 THR A 102 -7.406 13.374 -11.957 1.00 8.97 C ATOM 1515 HA THR A 102 -6.422 11.483 -13.731 1.00 0.00 H ATOM 1516 HB THR A 102 -8.946 11.878 -12.075 1.00 0.00 H ATOM 1517 HG1 THR A 102 -7.959 13.126 -14.499 1.00 0.00 H ATOM 1518 HG23 THR A 102 -6.991 12.974 -11.032 1.00 0.00 H ATOM 1519 HG21 THR A 102 -6.600 13.759 -12.582 1.00 0.00 H ATOM 1520 HG22 THR A 102 -8.104 14.179 -11.725 1.00 0.00 H ATOM 1521 H THR A 102 -8.745 9.629 -13.241 1.00 0.00 H ATOM 1522 N LYS A 103 -5.225 10.702 -11.681 1.00 8.69 N ATOM 1523 CA LYS A 103 -4.504 10.363 -10.467 1.00 9.07 C ATOM 1524 C LYS A 103 -4.506 11.576 -9.571 1.00 8.82 C ATOM 1525 O LYS A 103 -3.988 12.631 -9.935 1.00 11.62 O ATOM 1526 CB LYS A 103 -3.070 9.923 -10.783 1.00 11.57 C ATOM 1527 CG LYS A 103 -3.028 8.576 -11.487 1.00 15.80 C ATOM 1528 CD LYS A 103 -1.619 8.082 -11.774 1.00 19.52 C ATOM 1529 CE LYS A 103 -1.670 6.748 -12.511 1.00 23.87 C ATOM 1530 NZ LYS A 103 -0.312 6.216 -12.833 1.00 26.98 N ATOM 1531 HA LYS A 103 -4.992 9.526 -9.968 1.00 0.00 H ATOM 1532 HB2 LYS A 103 -2.606 10.671 -11.426 1.00 0.00 H ATOM 1533 HB3 LYS A 103 -2.511 9.850 -9.850 1.00 0.00 H ATOM 1534 HG2 LYS A 103 -3.529 7.842 -10.856 1.00 0.00 H ATOM 1535 HG3 LYS A 103 -3.562 8.665 -12.433 1.00 0.00 H ATOM 1536 HD2 LYS A 103 -1.099 8.815 -12.390 1.00 0.00 H ATOM 1537 HD3 LYS A 103 -1.083 7.954 -10.833 1.00 0.00 H ATOM 1538 HE2 LYS A 103 -2.221 6.884 -13.441 1.00 0.00 H ATOM 1539 HE3 LYS A 103 -2.190 6.023 -11.885 1.00 0.00 H ATOM 1540 HZ1 LYS A 103 0.191 6.896 -13.438 1.00 0.00 H ATOM 1541 HZ2 LYS A 103 0.221 6.074 -11.952 1.00 0.00 H ATOM 1542 HZ3 LYS A 103 -0.406 5.309 -13.333 1.00 0.00 H ATOM 1543 H LYS A 103 -4.691 11.016 -12.517 1.00 0.00 H ATOM 1544 N VAL A 104 -5.113 11.424 -8.407 1.00 9.62 N ATOM 1545 CA VAL A 104 -5.128 12.478 -7.410 1.00 10.21 C ATOM 1546 C VAL A 104 -3.962 12.280 -6.453 1.00 10.21 C ATOM 1547 O VAL A 104 -3.798 11.208 -5.866 1.00 11.17 O ATOM 1548 CB VAL A 104 -6.466 12.504 -6.637 1.00 12.20 C ATOM 1549 CG1 VAL A 104 -6.407 13.506 -5.482 1.00 13.08 C ATOM 1550 CG2 VAL A 104 -7.614 12.835 -7.586 1.00 13.60 C ATOM 1551 HA VAL A 104 -5.026 13.438 -7.916 1.00 0.00 H ATOM 1552 HB VAL A 104 -6.642 11.516 -6.212 1.00 0.00 H ATOM 1553 HG11 VAL A 104 -5.610 13.221 -4.796 1.00 0.00 H ATOM 1554 HG12 VAL A 104 -6.209 14.503 -5.877 1.00 0.00 H ATOM 1555 HG13 VAL A 104 -7.360 13.506 -4.953 1.00 0.00 H ATOM 1556 HG21 VAL A 104 -7.441 13.813 -8.036 1.00 0.00 H ATOM 1557 HG22 VAL A 104 -7.667 12.078 -8.368 1.00 0.00 H ATOM 1558 HG23 VAL A 104 -8.551 12.850 -7.029 1.00 0.00 H ATOM 1559 H VAL A 104 -5.593 10.525 -8.200 1.00 0.00 H ATOM 1560 N THR A 105 -3.135 13.315 -6.327 1.00 12.35 N ATOM 1561 CA THR A 105 -2.026 13.316 -5.389 1.00 12.21 C ATOM 1562 C THR A 105 -2.392 14.254 -4.250 1.00 11.97 C ATOM 1563 O THR A 105 -2.865 15.377 -4.486 1.00 12.38 O ATOM 1564 CB THR A 105 -0.719 13.801 -6.065 1.00 14.90 C ATOM 1565 OG1 THR A 105 -0.310 12.853 -7.057 1.00 17.08 O ATOM 1566 CG2 THR A 105 0.399 13.961 -5.040 1.00 16.60 C ATOM 1567 HA THR A 105 -1.851 12.303 -5.026 1.00 0.00 H ATOM 1568 HB THR A 105 -0.914 14.769 -6.527 1.00 0.00 H ATOM 1569 HG1 THR A 105 -0.152 11.975 -6.628 1.00 0.00 H ATOM 1570 HG23 THR A 105 0.094 14.682 -4.281 1.00 0.00 H ATOM 1571 HG21 THR A 105 0.599 12.999 -4.569 1.00 0.00 H ATOM 1572 HG22 THR A 105 1.300 14.317 -5.540 1.00 0.00 H ATOM 1573 H THR A 105 -3.288 14.154 -6.922 1.00 0.00 H ATOM 1574 N VAL A 106 -2.209 13.785 -3.021 1.00 12.33 N ATOM 1575 CA VAL A 106 -2.462 14.618 -1.854 1.00 13.93 C ATOM 1576 C VAL A 106 -1.132 15.073 -1.248 1.00 16.84 C ATOM 1577 O VAL A 106 -0.386 14.272 -0.685 1.00 19.08 O ATOM 1578 CB VAL A 106 -3.344 13.883 -0.815 1.00 13.94 C ATOM 1579 CG1 VAL A 106 -3.677 14.800 0.360 1.00 14.30 C ATOM 1580 CG2 VAL A 106 -4.617 13.381 -1.481 1.00 14.82 C ATOM 1581 HA VAL A 106 -3.019 15.501 -2.167 1.00 0.00 H ATOM 1582 HB VAL A 106 -2.789 13.029 -0.426 1.00 0.00 H ATOM 1583 HG11 VAL A 106 -2.754 15.118 0.844 1.00 0.00 H ATOM 1584 HG12 VAL A 106 -4.217 15.674 -0.004 1.00 0.00 H ATOM 1585 HG13 VAL A 106 -4.297 14.261 1.076 1.00 0.00 H ATOM 1586 HG21 VAL A 106 -5.170 14.227 -1.889 1.00 0.00 H ATOM 1587 HG22 VAL A 106 -4.358 12.693 -2.285 1.00 0.00 H ATOM 1588 HG23 VAL A 106 -5.232 12.865 -0.744 1.00 0.00 H ATOM 1589 H VAL A 106 -1.880 12.807 -2.890 1.00 0.00 H ATOM 1590 N LEU A 106A -0.845 16.367 -1.382 1.00 19.61 N ATOM 1591 CA LEU A 106A 0.427 16.947 -0.952 1.00 23.44 C ATOM 1592 C LEU A 106A 0.350 17.574 0.434 1.00 26.94 C ATOM 1593 O LEU A 106A -0.727 17.897 0.922 1.00 27.94 O ATOM 1594 CB LEU A 106A 0.867 18.021 -1.948 1.00 26.18 C ATOM 1595 CG LEU A 106A 1.017 17.588 -3.405 1.00 29.36 C ATOM 1596 CD1 LEU A 106A 1.073 18.802 -4.324 1.00 30.27 C ATOM 1597 CD2 LEU A 106A 2.255 16.726 -3.566 1.00 30.74 C ATOM 1598 HA LEU A 106A 1.147 16.130 -0.912 1.00 0.00 H ATOM 1599 HB2 LEU A 106A 0.129 18.823 -1.916 1.00 0.00 H ATOM 1600 HB3 LEU A 106A 1.832 18.403 -1.616 1.00 0.00 H ATOM 1601 HG LEU A 106A 0.146 16.997 -3.687 1.00 0.00 H ATOM 1602 HD21 LEU A 106A 3.135 17.297 -3.269 1.00 0.00 H ATOM 1603 HD22 LEU A 106A 2.164 15.841 -2.936 1.00 0.00 H ATOM 1604 HD23 LEU A 106A 2.352 16.423 -4.609 1.00 0.00 H ATOM 1605 HD11 LEU A 106A 0.153 19.378 -4.220 1.00 0.00 H ATOM 1606 HD12 LEU A 106A 1.926 19.424 -4.051 1.00 0.00 H ATOM 1607 HD13 LEU A 106A 1.180 18.470 -5.357 1.00 0.00 H ATOM 1608 H LEU A 106A -1.557 16.992 -1.811 1.00 0.00 H ATOM 1609 N ASP A 107 1.504 17.766 1.062 1.00 30.23 N ATOM 1610 CA ASP A 107 1.542 18.422 2.362 1.00 32.47 C ATOM 1611 C ASP A 107 1.208 19.904 2.225 1.00 34.05 C ATOM 1612 O ASP A 107 1.583 20.548 1.242 1.00 35.29 O ATOM 1613 CB ASP A 107 2.914 18.251 3.013 1.00 33.27 C ATOM 1614 HA ASP A 107 0.793 17.952 3.000 1.00 0.00 H ATOM 1615 HB2 ASP A 107 3.121 17.189 3.147 1.00 0.00 H ATOM 1616 HB3 ASP A 107 3.677 18.693 2.372 1.00 0.00 H ATOM 1617 H ASP A 107 2.390 17.445 0.621 1.00 0.00 H TER 1618 ASP A 107 HETATM 1619 O HOH 1 -21.080 11.919 -12.732 1.00 10.53 O HETATM 1620 O HOH 2 -10.349 3.531 -22.884 1.00 14.94 O HETATM 1621 O HOH 3 -12.659 4.686 -24.165 1.00 10.07 O HETATM 1622 O HOH 4 -8.038 3.448 -24.406 1.00 32.57 O HETATM 1623 O HOH 5 -24.072 12.361 -3.011 1.00 43.15 O HETATM 1624 O HOH 6 -26.611 8.708 -3.436 1.00 27.36 O HETATM 1625 O HOH 7 -5.155 2.525 -12.743 1.00 31.29 O HETATM 1626 O HOH 8 -7.438 -5.773 -4.350 1.00 27.13 O HETATM 1627 O HOH 9 -5.913 4.612 0.863 1.00 30.87 O HETATM 1628 O HOH 10 -5.462 3.199 -17.555 1.00 35.10 O HETATM 1629 O HOH 11 -10.092 5.733 -29.257 1.00 29.77 O HETATM 1630 O HOH 12 -6.667 3.728 -19.982 1.00 31.63 O HETATM 1631 O HOH 13 -18.716 16.103 -2.538 1.00 12.98 O HETATM 1632 O HOH 14 -26.518 3.423 -3.249 1.00 29.37 O HETATM 1633 O HOH 15 -11.802 16.769 -18.844 1.00 23.51 O HETATM 1634 O HOH 16 -10.947 1.603 -3.992 1.00 18.92 O HETATM 1635 O HOH 17 -8.989 10.701 -20.700 1.00 11.39 O HETATM 1636 O HOH 18 -8.938 0.208 -5.469 1.00 14.38 O HETATM 1637 O HOH 19 -10.568 7.344 -0.494 1.00 16.46 O HETATM 1638 O HOH 20 -3.824 6.128 -0.927 1.00 33.04 O HETATM 1639 O HOH 21 -18.402 -2.069 -25.512 1.00 20.43 O HETATM 1640 O HOH 22 -9.587 11.940 -24.422 1.00 31.80 O HETATM 1641 O HOH 23 -3.218 9.310 -15.092 1.00 16.30 O HETATM 1642 O HOH 24 -24.124 4.431 -19.598 1.00 9.28 O HETATM 1643 O HOH 25 -23.382 11.813 -5.527 1.00 15.17 O HETATM 1644 O HOH 26 -17.361 -1.734 -6.355 1.00 13.75 O HETATM 1645 O HOH 27 -19.190 18.783 -14.923 1.00 14.31 O HETATM 1646 O HOH 28 -27.488 10.802 -28.804 1.00 40.96 O HETATM 1647 O HOH 29 -1.386 13.213 -9.485 1.00 19.10 O HETATM 1648 O HOH 30 -13.979 2.652 -25.511 1.00 21.73 O HETATM 1649 O HOH 31 -17.155 -4.193 -24.248 1.00 28.64 O HETATM 1650 O HOH 32 -27.589 5.140 -19.910 1.00 28.19 O HETATM 1651 O HOH 33 -5.595 -2.936 -10.121 1.00 37.23 O HETATM 1652 O HOH 34 -2.594 6.434 -7.263 1.00 21.81 O HETATM 1653 O HOH 35 -3.592 7.485 3.929 1.00 29.66 O HETATM 1654 O HOH 36 -28.967 3.705 -16.145 1.00 38.46 O HETATM 1655 O HOH 37 -6.314 10.545 -18.156 1.00 12.17 O HETATM 1656 O HOH 38 -23.254 5.338 0.216 1.00 18.10 O HETATM 1657 O HOH 39 -26.817 1.313 -14.027 1.00 21.09 O HETATM 1658 O HOH 40 -15.750 15.504 -28.347 1.00 37.58 O HETATM 1659 O HOH 41 -10.361 16.235 -16.346 1.00 14.74 O HETATM 1660 O HOH 42 -26.028 15.774 -18.819 1.00 22.01 O HETATM 1661 O HOH 43 -6.271 13.389 -21.041 1.00 23.10 O HETATM 1662 O HOH 44 -13.931 2.889 -28.317 1.00 30.40 O HETATM 1663 O HOH 45 -0.029 10.166 -6.725 1.00 28.38 O HETATM 1664 O HOH 46 -20.871 16.876 -28.150 1.00 25.89 O HETATM 1665 O HOH 47 -4.607 6.946 -15.105 1.00 15.10 O HETATM 1666 O HOH 48 -13.272 5.205 -1.081 1.00 32.62 O HETATM 1667 O HOH 49 -20.402 -2.941 -27.472 1.00 34.31 O HETATM 1668 O HOH 50 -30.468 8.399 -24.038 1.00 25.40 O HETATM 1669 O HOH 51 1.111 9.117 -9.174 1.00 42.08 O HETATM 1670 O HOH 52 -27.192 2.666 -28.167 1.00 19.59 O HETATM 1671 O HOH 53 -18.371 9.028 5.409 1.00 19.01 O HETATM 1672 O HOH 54 -5.696 13.399 5.445 1.00 20.66 O HETATM 1673 O HOH 55 -30.941 5.961 -10.523 1.00 36.77 O HETATM 1674 O HOH 56 -27.473 13.279 -18.983 1.00 24.46 O HETATM 1675 O HOH 57 -19.203 18.873 -2.920 1.00 27.92 O HETATM 1676 O HOH 58 -14.564 -3.840 -8.948 1.00 22.92 O HETATM 1677 O HOH 59 -14.259 -3.483 -4.781 1.00 35.87 O HETATM 1678 O HOH 60 -20.042 16.513 -8.620 1.00 25.88 O HETATM 1679 O HOH 61 -9.701 -2.300 -18.487 1.00 18.76 O HETATM 1680 O HOH 62 -24.704 7.578 0.738 1.00 21.11 O HETATM 1681 O HOH 63 -28.752 -0.399 -4.478 1.00 35.51 O HETATM 1682 O HOH 64 -10.916 -2.656 -3.486 1.00 32.92 O HETATM 1683 O HOH 65 -12.111 0.803 -24.511 1.00 40.84 O HETATM 1684 O HOH 66 -7.635 17.340 -19.494 1.00 36.06 O HETATM 1685 O HOH 67 -12.703 15.455 4.566 1.00 22.06 O HETATM 1686 O HOH 68 -20.145 15.232 -0.350 1.00 20.11 O HETATM 1687 O HOH 69 -17.371 14.378 5.071 1.00 38.67 O HETATM 1688 O HOH 70 -2.526 5.645 -4.620 1.00 26.37 O HETATM 1689 O HOH 71 -19.396 18.959 -9.185 1.00 19.00 O HETATM 1690 O HOH 72 -17.372 16.616 3.230 1.00 33.81 O HETATM 1691 O HOH 73 -24.638 12.305 -30.965 1.00 40.11 O HETATM 1692 O HOH 74 -17.655 23.205 -2.316 1.00 40.07 O HETATM 1693 O HOH 75 -9.647 9.984 7.506 1.00 14.25 O HETATM 1694 O HOH 76 -21.088 18.291 -13.212 1.00 16.45 O HETATM 1695 O HOH 77 -31.597 4.396 -14.912 1.00 48.17 O HETATM 1696 O HOH 78 -28.446 7.879 -15.089 1.00 25.08 O HETATM 1697 O HOH 79 -17.867 17.398 -26.575 1.00 21.12 O HETATM 1698 O HOH 80 -5.063 22.284 2.830 1.00 33.51 O HETATM 1699 O HOH 81 -9.729 19.866 -11.027 1.00 17.32 O HETATM 1700 O HOH 82 -6.615 10.556 -22.072 1.00 22.04 O HETATM 1701 O HOH 83 -25.420 3.511 -34.559 1.00 32.42 O HETATM 1702 O HOH 84 -4.720 8.661 -21.605 1.00 31.44 O HETATM 1703 O HOH 85 -0.865 12.916 1.911 1.00 35.37 O HETATM 1704 O HOH 86 -7.038 11.040 6.828 1.00 26.88 O HETATM 1705 O HOH 87 -25.536 22.822 -16.698 1.00 23.18 O HETATM 1706 O HOH 88 2.013 12.359 -1.715 1.00 38.94 O HETATM 1707 O HOH 89 -26.082 16.164 -11.821 1.00 26.87 O HETATM 1708 O HOH 90 -3.957 3.875 -8.820 1.00 23.07 O HETATM 1709 O HOH 91 -15.716 18.934 -18.239 1.00 17.18 O HETATM 1710 O HOH 92 -2.872 16.633 -15.684 1.00 25.19 O HETATM 1711 O HOH 93 -21.703 20.379 -9.310 1.00 19.94 O HETATM 1712 O HOH 94 0.230 11.540 -11.104 1.00 31.13 O HETATM 1713 O HOH 95 -16.944 20.514 -2.842 1.00 23.54 O HETATM 1714 O HOH 96 -10.408 3.226 -27.139 1.00 40.37 O HETATM 1715 O HOH 97 -23.053 13.579 1.696 1.00 30.79 O HETATM 1716 O HOH 98 -11.381 13.205 -13.847 1.00 12.59 O HETATM 1717 O HOH 99 -22.904 23.847 -14.316 1.00 15.01 O HETATM 1718 O HOH 100 -26.996 18.788 -17.685 1.00 31.86 O HETATM 1719 O HOH 101 -4.046 10.013 -19.487 1.00 25.73 O HETATM 1720 O HOH 102 -0.499 18.587 -10.287 1.00 33.12 O HETATM 1721 O HOH 103 -27.803 12.027 -5.463 1.00 47.79 O HETATM 1722 O HOH 104 -8.348 18.537 -21.601 1.00 38.93 O HETATM 1723 O HOH 105 -21.039 17.356 -6.508 1.00 35.56 O HETATM 1724 O HOH 106 -1.567 10.393 0.354 1.00 32.01 O HETATM 1725 O HOH 107 -21.209 19.488 -1.257 1.00 38.31 O HETATM 1726 O HOH 108 1.646 22.735 3.628 1.00 39.66 O HETATM 1727 O HOH 109 -2.854 14.030 5.904 1.00 33.88 O HETATM 1728 O HOH 110 -24.851 15.012 -6.826 1.00 30.91 O HETATM 1729 O HOH 111 -8.501 16.391 5.477 1.00 27.89 O HETATM 1730 O HOH 112 -22.979 14.729 -1.141 1.00 40.37 O HETATM 1731 O HOH 113 -2.478 9.182 -7.412 1.00 18.60 O HETATM 1732 O HOH 114 -15.934 11.774 4.183 1.00 18.10 O HETATM 1733 O HOH 115 -27.101 15.618 -9.347 1.00 40.26 O HETATM 1734 O HOH 116 -2.911 -0.161 -10.811 1.00 30.32 O HETATM 1735 O HOH 117 -27.054 14.125 -26.329 1.00 19.92 O HETATM 1736 O HOH 118 -16.513 1.891 -27.365 1.00 37.41 O HETATM 1737 O HOH 119 -2.931 23.988 -0.920 1.00 25.65 O HETATM 1738 O HOH 120 -5.544 3.670 -22.756 1.00 44.66 O HETATM 1739 O HOH 121 -25.347 2.061 -18.430 1.00 18.22 O HETATM 1740 O HOH 122 -8.159 25.343 -0.617 1.00 31.70 O HETATM 1741 O HOH 123 -1.179 -2.922 -4.010 1.00 34.95 O HETATM 1742 O HOH 124 -26.141 7.582 -32.172 1.00 38.51 O HETATM 1743 O HOH 125 -7.109 14.796 7.043 1.00 42.95 O HETATM 1744 O HOH 126 -14.946 16.763 4.537 1.00 41.86 O HETATM 1745 O HOH 127 -19.726 16.795 1.943 1.00 36.04 O HETATM 1746 O HOH 128 -29.045 12.062 -13.314 1.00 34.82 O HETATM 1747 O HOH 129 -1.285 -6.052 -6.065 1.00 41.57 O HETATM 1748 O HOH 130 -7.322 0.071 -20.581 1.00 42.66 O HETATM 1749 O HOH 131 -4.775 6.130 -19.074 1.00 38.08 O HETATM 1750 O HOH 132 -17.028 -2.081 -1.034 1.00 42.98 O HETATM 1751 O HOH 133 -7.590 2.486 -27.164 1.00 45.29 O HETATM 1752 O HOH 134 -26.656 7.930 -0.879 1.00 43.75 O HETATM 1753 O HOH 135 -28.948 6.700 -3.911 1.00 34.80 O HETATM 1754 O HOH 136 -7.703 10.420 -24.472 1.00 31.51 O HETATM 1755 O HOH 137 -15.237 -2.088 -23.310 1.00 43.13 O HETATM 1756 O HOH 138 -23.700 17.513 -6.237 1.00 42.08 O HETATM 1757 O HOH 139 -8.940 13.050 8.232 1.00 38.98 O HETATM 1758 O HOH 140 -3.853 20.813 5.124 1.00 36.36 O HETATM 1759 O HOH 141 -22.304 20.595 -12.111 1.00 10.25 O HETATM 1760 O HOH 142 -25.044 25.771 -16.694 1.00 14.74 O HETATM 1761 O HOH 143 -7.600 18.616 6.941 1.00 33.78 O HETATM 1762 O HOH 144 -9.052 3.847 1.870 1.00 31.64 O HETATM 1763 O HOH 145 -3.973 26.319 -0.353 1.00 31.61 O HETATM 1764 O HOH 146 -6.081 20.517 -20.767 1.00 26.29 O HETATM 1765 O HOH 147 -27.306 21.396 -18.495 1.00 30.60 O HETATM 1766 O HOH 148 -7.119 17.165 -23.735 1.00 30.69 O HETATM 1767 O HOH 149 -19.655 20.163 -5.280 1.00 32.34 O HETATM 1768 O HOH 150 -10.122 1.706 0.614 1.00 47.73 O HETATM 1769 O HOH 151 -8.490 3.937 4.520 1.00 38.81 O HETATM 1770 O HOH 152 -21.185 22.498 -5.381 1.00 45.29 O HETATM 1771 O HOH 153 -14.998 19.745 -4.510 1.00 14.16 O HETATM 1772 O HOH 154 -9.314 4.095 -20.274 1.00 15.77 O HETATM 1773 O HOH 155 -11.090 5.557 1.316 1.00 29.05 O HETATM 1774 O HOH 156 -28.926 13.584 -24.417 1.00 33.91 O HETATM 1775 O HOH 157 -10.719 -0.308 -2.283 1.00 33.44 O HETATM 1776 O HOH 158 -1.059 25.164 0.938 1.00 33.68 O HETATM 1777 O HOH 159 -21.071 -1.686 1.662 1.00 32.58 O HETATM 1778 O HOH 160 -2.386 5.517 -9.624 1.00 34.45 O HETATM 1779 O HOH 161 -18.687 17.611 -28.912 1.00 33.30 O HETATM 1780 O HOH 162 -11.843 3.423 -0.593 1.00 33.11 O HETATM 1781 O HOH 163 -5.988 15.841 -20.987 1.00 32.97 O HETATM 1782 O HOH 164 -18.630 -0.632 -2.384 1.00 30.20 O HETATM 1783 O HOH 165 -7.537 22.842 3.621 1.00 30.20 O HETATM 1784 O HOH 166 -16.948 11.209 -28.691 1.00 30.00 O HETATM 1785 O HOH 167 -15.394 9.705 5.502 1.00 30.00 O HETATM 1786 O HOH 168 -14.586 13.063 -25.185 1.00 30.00 O HETATM 1787 O HOH 169 -16.365 11.825 -26.321 1.00 30.00 O HETATM 1788 O HOH 170 -27.836 15.773 -16.087 1.00 29.80 O HETATM 1789 O HOH 171 -5.287 19.360 -14.009 1.00 12.87 O HETATM 1790 O HOH 172 -10.884 24.262 -0.753 1.00 17.78 O HETATM 1791 O HOH 173 -6.183 26.543 -3.799 1.00 15.96 O HETATM 1792 O HOH 174 -18.439 26.837 -9.975 1.00 13.19 O HETATM 1793 O HOH 175 -12.650 28.401 -23.039 1.00 10.59 O HETATM 1794 O HOH 176 -1.655 25.663 -22.090 1.00 22.24 O HETATM 1795 O HOH 177 -15.874 26.994 -7.851 1.00 11.93 O HETATM 1796 O HOH 178 -7.853 24.337 -22.812 1.00 19.17 O HETATM 1797 O HOH 179 -12.976 28.703 -4.808 1.00 15.55 O HETATM 1798 O HOH 180 -17.454 30.439 -5.383 1.00 33.56 O HETATM 1799 O HOH 181 -27.393 21.349 -21.396 1.00 16.50 O HETATM 1800 O HOH 182 -12.482 22.122 -23.028 1.00 21.77 O HETATM 1801 O HOH 183 -28.474 27.194 -18.920 1.00 23.86 O HETATM 1802 O HOH 184 -8.181 19.546 -13.209 1.00 11.82 O HETATM 1803 O HOH 185 -12.023 25.169 -28.551 1.00 22.11 O HETATM 1804 O HOH 186 -25.985 19.863 -26.080 1.00 24.82 O HETATM 1805 O HOH 187 -13.461 31.169 -5.946 1.00 15.61 O HETATM 1806 O HOH 188 -11.945 21.232 -25.430 1.00 31.82 O HETATM 1807 O HOH 189 -14.056 20.564 -21.170 1.00 17.54 O HETATM 1808 O HOH 190 -15.258 28.317 -3.601 1.00 29.50 O HETATM 1809 O HOH 191 -23.887 32.462 -12.496 1.00 16.87 O HETATM 1810 O HOH 192 -4.170 18.668 -17.139 1.00 21.59 O HETATM 1811 O HOH 193 -5.301 31.078 -5.050 1.00 23.44 O HETATM 1812 O HOH 194 2.623 18.220 -15.319 1.00 28.14 O HETATM 1813 O HOH 195 -15.570 19.480 -23.221 1.00 14.05 O HETATM 1814 O HOH 196 1.694 28.657 -1.716 1.00 35.19 O HETATM 1815 O HOH 197 -18.791 20.537 -29.530 1.00 23.79 O HETATM 1816 O HOH 198 -11.781 18.776 -21.832 1.00 31.74 O HETATM 1817 O HOH 199 -19.216 24.073 -27.798 1.00 16.68 O HETATM 1818 O HOH 200 -19.965 26.392 -7.766 1.00 33.86 O HETATM 1819 O HOH 201 -3.170 19.822 -10.017 1.00 24.40 O HETATM 1820 O HOH 202 -10.511 21.939 -12.948 1.00 10.86 O HETATM 1821 O HOH 203 -3.991 29.960 -2.757 1.00 30.36 O HETATM 1822 O HOH 204 -17.075 27.201 -5.363 1.00 25.11 O HETATM 1823 O HOH 205 -11.485 22.220 -28.694 1.00 33.72 O HETATM 1824 O HOH 206 -18.059 23.372 -7.980 1.00 16.73 O HETATM 1825 O HOH 207 4.729 29.849 -4.814 1.00 43.68 O HETATM 1826 O HOH 208 -29.119 27.662 -26.747 1.00 30.31 O HETATM 1827 O HOH 209 -5.636 33.736 -4.791 1.00 38.55 O HETATM 1828 O HOH 210 -5.718 23.982 -24.265 1.00 45.20 O HETATM 1829 O HOH 211 1.812 16.569 -7.758 1.00 35.07 O HETATM 1830 O HOH 212 -14.352 25.837 -29.930 1.00 35.00 O HETATM 1831 O HOH 213 -2.780 19.171 -12.607 1.00 30.79 O HETATM 1832 O HOH 214 8.097 21.404 -8.770 1.00 30.39 O HETATM 1833 O HOH 215 7.000 19.598 -13.347 1.00 29.69 O HETATM 1834 O HOH 216 -14.084 32.718 -3.715 1.00 34.77 O HETATM 1835 O HOH 217 -28.767 26.863 -29.422 1.00 33.89 O HETATM 1836 O HOH 218 4.030 16.267 -6.342 1.00 36.02 O HETATM 1837 O HOH 219 -21.951 25.991 -30.685 1.00 32.99 O HETATM 1838 O HOH 220 -18.541 24.633 -5.536 1.00 33.49 O HETATM 1839 O HOH 221 -19.416 28.671 -5.742 1.00 34.94 O HETATM 1840 O HOH 222 -14.761 22.369 -30.079 1.00 36.68 O HETATM 1841 O HOH 223 -22.201 24.445 -10.069 1.00 40.25 O HETATM 1842 O HOH 224 5.768 17.858 -7.700 1.00 30.54 O HETATM 1843 O HOH 225 -13.245 32.792 -1.229 1.00 48.09 O HETATM 1844 O HOH 226 2.575 17.498 -17.927 1.00 38.79 O HETATM 1845 O HOH 227 -11.383 28.111 -2.488 1.00 32.77 O HETATM 1846 O HOH 228 -1.619 22.799 -22.222 1.00 41.22 O HETATM 1847 O HOH 229 4.449 24.913 -0.091 1.00 39.58 O HETATM 1848 O HOH 230 -16.486 30.762 -2.821 1.00 36.58 O HETATM 1849 O HOH 231 -8.569 20.695 -24.445 1.00 45.42 O HETATM 1850 O HOH 232 -30.320 25.479 -20.640 1.00 55.88 O HETATM 1851 O HOH 233 4.888 16.148 -11.755 1.00 38.99 O HETATM 1852 O HOH 234 -27.948 25.837 -16.495 1.00 37.92 O HETATM 1853 O HOH 235 -26.404 24.921 -28.068 1.00 33.25 O HETATM 1854 O HOH 236 -17.596 17.803 -22.436 1.00 10.55 O HETATM 1855 O HOH 237 -17.901 20.695 -7.600 1.00 16.45 O HETATM 1856 O HOH 238 -3.623 22.497 -23.930 1.00 35.92 O HETATM 1857 O HOH 239 -6.740 29.857 -1.005 1.00 38.16 O HETATM 1858 O HOH 240 6.279 27.657 -5.804 1.00 32.25 O HETATM 1859 O HOH 241 -29.396 23.323 -17.756 1.00 35.29 O HETATM 1860 O HOH 242 6.811 16.372 -9.594 1.00 28.19 O HETATM 1861 O HOH 243 -8.120 27.544 -2.081 1.00 25.69 O HETATM 1862 O HOH 244 -13.047 25.950 -1.222 1.00 27.28 O HETATM 1863 O HOH 245 -17.340 24.360 -29.831 1.00 34.79 O HETATM 1864 O HOH 246 -23.520 18.675 -27.206 1.00 33.82 O HETATM 1865 O HOH 247 2.248 13.844 -8.036 1.00 31.71 O HETATM 1866 C DIW A 248 -19.091 -1.214 -17.812 1.00 -0.00 C HETATM 1867 C3 DIW A 248 -19.612 -1.094 -16.529 1.00 0.06 C HETATM 1868 C2 DIW A 248 -18.775 -1.118 -15.425 1.00 -0.03 C HETATM 1869 C9 DIW A 248 -19.531 -0.963 -14.149 1.00 0.01 C HETATM 1870 C8 DIW A 248 -20.915 -0.884 -14.735 1.00 0.04 C HETATM 1871 N7 DIW A 248 -20.871 -0.949 -16.078 1.00 -0.33 N HETATM 1872 C29 DIW A 248 -22.083 -0.887 -16.931 1.00 0.01 C HETATM 1873 H DIW A 248 -22.746 -1.715 -16.679 1.00 0.04 H HETATM 1874 H DIW A 248 -22.598 0.058 -16.760 1.00 0.04 H HETATM 1875 H DIW A 248 -21.792 -0.959 -17.979 1.00 0.04 H HETATM 1876 C10 DIW A 248 -22.187 -0.718 -13.918 1.00 0.10 C HETATM 1877 C11 DIW A 248 -22.159 -0.619 -12.412 1.00 0.09 C HETATM 1878 C12 DIW A 248 -23.360 -0.544 -11.821 1.00 0.11 C HETATM 1879 C13 DIW A 248 -23.509 -0.428 -10.353 1.00 0.13 C HETATM 1880 C14 DIW A 248 -24.759 -0.426 -9.727 1.00 0.09 C HETATM 1881 C15 DIW A 248 -24.823 -0.309 -8.341 1.00 0.12 C HETATM 1882 N16 DIW A 248 -23.704 -0.183 -7.611 1.00 -0.30 N HETATM 1883 C17 DIW A 248 -22.499 -0.175 -8.192 1.00 0.09 C HETATM 1884 C18 DIW A 248 -22.369 -0.299 -9.571 1.00 0.07 C HETATM 1885 H DIW A 248 -21.382 -0.295 -10.033 1.00 0.14 H HETATM 1886 H DIW A 248 -21.606 -0.070 -7.576 1.00 0.11 H HETATM 1887 C23 DIW A 248 -23.796 -0.057 -6.150 1.00 0.04 C HETATM 1888 C24 DIW A 248 -23.946 -1.436 -5.513 1.00 -0.01 C HETATM 1889 C25 DIW A 248 -23.806 -1.388 -3.992 1.00 0.03 C HETATM 1890 S26 DIW A 248 -25.091 -0.586 -3.306 1.00 -0.19 S HETATM 1891 O30 DIW A 248 -25.299 -1.088 -1.927 1.00 -0.48 O HETATM 1892 O31 DIW A 248 -26.316 -0.823 -4.100 1.00 -0.48 O HETATM 1893 O32 DIW A 248 -24.793 0.861 -3.286 1.00 -0.48 O HETATM 1894 H DIW A 248 -22.887 -0.859 -3.740 1.00 0.05 H HETATM 1895 H DIW A 248 -23.783 -2.408 -3.609 1.00 0.05 H HETATM 1896 H DIW A 248 -23.158 -2.078 -5.906 1.00 0.03 H HETATM 1897 H DIW A 248 -24.941 -1.812 -5.750 1.00 0.03 H HETATM 1898 H DIW A 248 -24.665 0.550 -5.897 1.00 0.06 H HETATM 1899 H DIW A 248 -22.888 0.414 -5.774 1.00 0.06 H HETATM 1900 C19 DIW A 248 -26.060 -0.314 -7.698 1.00 0.02 C HETATM 1901 C20 DIW A 248 -27.232 -0.438 -8.434 1.00 -0.01 C HETATM 1902 C21 DIW A 248 -27.174 -0.563 -9.819 1.00 -0.01 C HETATM 1903 C22 DIW A 248 -25.937 -0.558 -10.460 1.00 0.00 C HETATM 1904 H DIW A 248 -25.890 -0.658 -11.544 1.00 0.10 H HETATM 1905 H DIW A 248 -28.091 -0.664 -10.399 1.00 0.10 H HETATM 1906 H DIW A 248 -28.197 -0.437 -7.927 1.00 0.08 H HETATM 1907 H DIW A 248 -26.108 -0.220 -6.613 1.00 0.11 H HETATM 1908 H DIW A 248 -24.256 -0.569 -12.442 1.00 0.14 H HETATM 1909 H DIW A 248 -21.228 -0.609 -11.845 1.00 0.20 H HETATM 1910 H DIW A 248 -22.735 -1.641 -14.105 1.00 0.11 H HETATM 1911 H DIW A 248 -22.570 0.253 -14.233 1.00 0.11 H HETATM 1912 C27 DIW A 248 -19.288 -2.174 -13.257 1.00 -0.08 C HETATM 1913 H DIW A 248 -18.229 -2.231 -13.004 1.00 0.01 H HETATM 1914 H DIW A 248 -19.876 -2.076 -12.345 1.00 0.01 H HETATM 1915 H DIW A 248 -19.585 -3.079 -13.787 1.00 0.01 H HETATM 1916 C28 DIW A 248 -19.132 0.334 -13.457 1.00 -0.08 C HETATM 1917 H DIW A 248 -19.719 0.454 -12.546 1.00 0.01 H HETATM 1918 H DIW A 248 -18.072 0.299 -13.206 1.00 0.01 H HETATM 1919 H DIW A 248 -19.320 1.174 -14.126 1.00 0.01 H HETATM 1920 C32 DIW A 248 -17.403 -1.258 -15.604 1.00 -0.03 C HETATM 1921 C31 DIW A 248 -16.877 -1.374 -16.892 1.00 -0.02 C HETATM 1922 C30 DIW A 248 -17.721 -1.359 -17.995 1.00 -0.01 C HETATM 1923 H DIW A 248 -17.311 -1.460 -19.000 1.00 0.09 H HETATM 1924 H DIW A 248 -15.801 -1.477 -17.032 1.00 0.08 H HETATM 1925 H DIW A 248 -16.739 -1.277 -14.740 1.00 0.10 H HETATM 1926 H DIW A 248 -19.757 -1.194 -18.675 1.00 0.09 H CONECT 1 2 7 CONECT 2 1 3 5 13 CONECT 3 2 4 14 CONECT 4 3 CONECT 5 2 6 11 12 CONECT 6 5 7 9 10 CONECT 7 1 6 8 CONECT 8 7 CONECT 9 6 CONECT 10 6 CONECT 11 5 CONECT 12 5 CONECT 13 2 CONECT 312 311 1293 CONECT 1293 312 1292 CONECT 1866 1867 1922 1926 CONECT 1867 1866 1868 1871 CONECT 1868 1867 1869 1920 CONECT 1869 1868 1870 1912 1916 CONECT 1870 1869 1871 1876 CONECT 1871 1867 1870 1872 CONECT 1872 1871 1873 1874 1875 CONECT 1873 1872 CONECT 1874 1872 CONECT 1875 1872 CONECT 1876 1870 1877 1910 1911 CONECT 1877 1876 1878 1909 CONECT 1878 1877 1879 1908 CONECT 1879 1878 1880 1884 CONECT 1880 1879 1881 1903 CONECT 1881 1880 1882 1900 CONECT 1882 1881 1883 1887 CONECT 1883 1882 1884 1886 CONECT 1884 1879 1883 1885 CONECT 1885 1884 CONECT 1886 1883 CONECT 1887 1882 1888 1898 1899 CONECT 1888 1887 1889 1896 1897 CONECT 1889 1888 1890 1894 1895 CONECT 1890 1889 1891 1892 1893 CONECT 1891 1890 CONECT 1892 1890 CONECT 1893 1890 CONECT 1894 1889 CONECT 1895 1889 CONECT 1896 1888 CONECT 1897 1888 CONECT 1898 1887 CONECT 1899 1887 CONECT 1900 1881 1901 1907 CONECT 1901 1900 1902 1906 CONECT 1902 1901 1903 1905 CONECT 1903 1880 1902 1904 CONECT 1904 1903 CONECT 1905 1902 CONECT 1906 1901 CONECT 1907 1900 CONECT 1908 1878 CONECT 1909 1877 CONECT 1910 1876 CONECT 1911 1876 CONECT 1912 1869 1913 1914 1915 CONECT 1913 1912 CONECT 1914 1912 CONECT 1915 1912 CONECT 1916 1869 1917 1918 1919 CONECT 1917 1916 CONECT 1918 1916 CONECT 1919 1916 CONECT 1920 1868 1921 1925 CONECT 1921 1920 1922 1924 CONECT 1922 1866 1921 1923 CONECT 1923 1922 CONECT 1924 1921 CONECT 1925 1920 CONECT 1926 1866 MASTER 0 0 0 0 0 0 0 0 1925 1 76 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 3t0w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3t0x
RCSB PDB
PDBbind
123aa, >3T0X_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3t0x
RCSB PDB
PDBbind
DIW
Entry Information
PDB ID
3t0w
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fluorogen activating protein M8VL
Ligand Name
DIW
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=50nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Biochemistry Vol. 51: pp. 2471-2485
Ligand Properties
Formula
C
2
6
H
3
2
N
2
O
3
S
Molecular Weight
452.609
Exact Mass
452.213
No. of atoms
64
No. of bonds
67
Polar Surface Area
102.23
LOGP Value
4.09 (
Computed with XLOGP3
)
5.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
C[N]1=C(C/C=C/c2cc[n+](c3c2cccc3)CCCS(O)(O)O)C(c2c1cccc2)(C)C
InChI String
InChI=1S/C26H31N2O3S/c1-26(2)22-12-5-7-14-24(22)27(3)25(26)15-8-10-20-16-18-28(17-9-19-32(29,30)31)23-13-6-4-11-21(20)23/h4-8,10-14,16,18H,9,15,17,19H2,1-3H3,(H2-,29,30,31)/p+1/b10-8+
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
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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