Browse entries in the PDBbind-CN Database
HEADER 5WA8_COMPLEX COMPND 5WA8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 ARG PRO GLY GLY ASP THR ILE PHE GLY LYS ILE ILE ARG SEQRES 2 A 115 LYS GLU ILE PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG SEQRES 3 A 115 CYS LEU ALA PHE HIS ASP ILE SER PRO GLN ALA PRO THR SEQRES 4 A 115 HIS PHE LEU VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SEQRES 5 A 115 SER VAL ALA GLU ASP ASP ASP GLU SER LEU LEU GLY HIS SEQRES 6 A 115 LEU MET ILE VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY SEQRES 7 A 115 LEU ASN LYS GLY TYR ARG MET VAL VAL ASN GLU GLY SER SEQRES 8 A 115 ASP GLY GLY GLN SER VAL TYR HIS VAL ASN LEU HIS VAL SEQRES 9 A 115 LEU GLY GLY ARG GLN MET HIS TRP PRO PRO GLY SEQRES 1 B 112 GLY ASP THR ILE PHE GLY LYS ILE ILE ARG LYS GLU ILE SEQRES 2 B 112 PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG CYS LEU ALA SEQRES 3 B 112 PHE HIS ASP ILE SER PRO GLN ALA PRO THR HIS PHE LEU SEQRES 4 B 112 VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SER VAL ALA SEQRES 5 B 112 GLU ASP ASP ASP GLU SER LEU LEU GLY HIS LEU MET ILE SEQRES 6 B 112 VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY LEU ASN LYS SEQRES 7 B 112 GLY TYR ARG MET VAL VAL ASN GLU GLY SER ASP GLY GLY SEQRES 8 B 112 GLN SER VAL TYR HIS VAL ASN LEU HIS VAL LEU GLY GLY SEQRES 9 B 112 ARG GLN MET HIS TRP PRO PRO GLY HET UNN A 465 49 ATOM 1 N ARG A 12 -32.014 -14.146 -38.523 1.00 41.75 N ATOM 2 CA ARG A 12 -31.434 -12.865 -38.138 1.00 33.97 C ATOM 3 C ARG A 12 -31.000 -12.876 -36.673 1.00 34.37 C ATOM 4 O ARG A 12 -31.804 -12.596 -35.786 1.00 31.57 O ATOM 5 CB ARG A 12 -32.435 -11.731 -38.388 1.00 35.87 C ATOM 6 HN3 ARG A 12 -32.846 -14.341 -37.930 1.00 0.00 H ATOM 7 HN2 ARG A 12 -31.309 -14.899 -38.390 1.00 0.00 H ATOM 8 HN1 ARG A 12 -32.300 -14.110 -39.522 1.00 0.00 H ATOM 9 N PRO A 13 -29.732 -13.214 -36.423 1.00 35.50 N ATOM 10 CA PRO A 13 -29.228 -13.237 -35.041 1.00 26.78 C ATOM 11 C PRO A 13 -29.001 -11.831 -34.496 1.00 26.12 C ATOM 12 O PRO A 13 -28.547 -10.932 -35.206 1.00 24.26 O ATOM 13 CB PRO A 13 -27.895 -13.987 -35.162 1.00 33.38 C ATOM 14 CG PRO A 13 -27.486 -13.802 -36.584 1.00 27.01 C ATOM 15 CD PRO A 13 -28.750 -13.740 -37.384 1.00 31.93 C ATOM 16 N GLY A 14 -29.299 -11.654 -33.208 1.00 29.43 N ATOM 17 CA GLY A 14 -29.193 -10.360 -32.565 1.00 29.16 C ATOM 18 C GLY A 14 -30.498 -9.605 -32.426 1.00 17.21 C ATOM 19 O GLY A 14 -30.508 -8.528 -31.810 1.00 25.49 O ATOM 20 H GLY A 14 -29.617 -12.470 -32.648 1.00 0.00 H ATOM 21 N GLY A 15 -31.590 -10.127 -32.980 1.00 24.68 N ATOM 22 CA GLY A 15 -32.889 -9.492 -32.898 1.00 22.46 C ATOM 23 C GLY A 15 -33.112 -8.462 -33.992 1.00 19.52 C ATOM 24 O GLY A 15 -32.232 -8.148 -34.789 1.00 13.50 O ATOM 25 H GLY A 15 -31.507 -11.028 -33.493 1.00 0.00 H ATOM 26 N ASP A 16 -34.332 -7.923 -34.022 1.00 18.28 N ATOM 27 CA ASP A 16 -34.700 -6.913 -35.000 1.00 18.93 C ATOM 28 C ASP A 16 -34.841 -5.520 -34.398 1.00 10.93 C ATOM 29 O ASP A 16 -35.335 -4.620 -35.085 1.00 14.76 O ATOM 30 CB ASP A 16 -35.967 -7.311 -35.764 1.00 21.99 C ATOM 31 H ASP A 16 -35.039 -8.234 -33.326 1.00 0.00 H ATOM 32 N THR A 17 -34.403 -5.303 -33.152 1.00 11.98 N ATOM 33 CA THR A 17 -34.233 -3.914 -32.754 1.00 10.11 C ATOM 34 C THR A 17 -33.179 -3.279 -33.645 1.00 9.61 C ATOM 35 O THR A 17 -32.413 -3.955 -34.338 1.00 9.05 O ATOM 36 CB THR A 17 -33.788 -3.751 -31.295 1.00 10.63 C ATOM 37 OG1 THR A 17 -32.405 -4.120 -31.150 1.00 14.44 O ATOM 38 CG2 THR A 17 -34.671 -4.542 -30.335 1.00 14.19 C ATOM 39 HG1 THR A 17 -32.287 -5.065 -31.421 1.00 0.00 H ATOM 40 H THR A 17 -34.195 -6.087 -32.502 1.00 0.00 H ATOM 41 N ILE A 18 -33.135 -1.953 -33.605 1.00 9.43 N ATOM 42 CA ILE A 18 -32.126 -1.249 -34.382 1.00 10.20 C ATOM 43 C ILE A 18 -30.721 -1.717 -34.025 1.00 9.51 C ATOM 44 O ILE A 18 -29.830 -1.717 -34.883 1.00 10.37 O ATOM 45 CB ILE A 18 -32.308 0.266 -34.227 1.00 14.33 C ATOM 46 CG1 ILE A 18 -32.181 0.636 -32.756 1.00 14.50 C ATOM 47 CG2 ILE A 18 -33.645 0.701 -34.803 1.00 25.19 C ATOM 48 CD1 ILE A 18 -32.145 2.087 -32.518 1.00 28.53 C ATOM 49 H ILE A 18 -33.815 -1.422 -33.024 1.00 0.00 H ATOM 50 N PHE A 19 -30.500 -2.149 -32.779 1.00 8.56 N ATOM 51 CA PHE A 19 -29.168 -2.616 -32.406 1.00 8.69 C ATOM 52 C PHE A 19 -28.855 -3.975 -33.026 1.00 10.19 C ATOM 53 O PHE A 19 -27.712 -4.228 -33.422 1.00 9.12 O ATOM 54 CB PHE A 19 -29.000 -2.627 -30.887 1.00 9.57 C ATOM 55 CG PHE A 19 -28.976 -1.256 -30.263 1.00 9.27 C ATOM 56 CD1 PHE A 19 -28.952 -0.106 -31.040 1.00 9.33 C ATOM 57 CD2 PHE A 19 -28.966 -1.121 -28.893 1.00 9.96 C ATOM 58 CE1 PHE A 19 -28.931 1.155 -30.444 1.00 10.53 C ATOM 59 CE2 PHE A 19 -28.953 0.135 -28.303 1.00 11.44 C ATOM 60 CZ PHE A 19 -28.931 1.266 -29.081 1.00 10.58 C ATOM 61 H PHE A 19 -31.271 -2.152 -32.081 1.00 0.00 H ATOM 62 N GLY A 20 -29.854 -4.858 -33.140 1.00 9.80 N ATOM 63 CA GLY A 20 -29.643 -6.091 -33.887 1.00 12.30 C ATOM 64 C GLY A 20 -29.261 -5.818 -35.328 1.00 11.48 C ATOM 65 O GLY A 20 -28.391 -6.486 -35.896 1.00 13.52 O ATOM 66 H GLY A 20 -30.775 -4.665 -32.698 1.00 0.00 H ATOM 67 N LYS A 21 -29.880 -4.810 -35.929 1.00 11.60 N ATOM 68 CA LYS A 21 -29.546 -4.457 -37.301 1.00 12.21 C ATOM 69 C LYS A 21 -28.158 -3.836 -37.408 1.00 12.49 C ATOM 70 O LYS A 21 -27.449 -4.060 -38.397 1.00 12.94 O ATOM 71 CB LYS A 21 -30.616 -3.535 -37.863 1.00 15.01 C ATOM 72 CG LYS A 21 -31.972 -4.211 -37.850 1.00 21.58 C ATOM 73 CD LYS A 21 -32.950 -3.503 -38.735 1.00 21.35 C ATOM 74 CE LYS A 21 -32.521 -3.515 -40.197 1.00 15.96 C ATOM 75 NZ LYS A 21 -32.721 -4.833 -40.878 1.00 18.97 N ATOM 76 HZ1 LYS A 21 -32.165 -5.563 -40.388 1.00 0.00 H ATOM 77 HZ2 LYS A 21 -33.729 -5.086 -40.851 1.00 0.00 H ATOM 78 HZ3 LYS A 21 -32.407 -4.762 -41.867 1.00 0.00 H ATOM 79 H LYS A 21 -30.607 -4.270 -35.418 1.00 0.00 H ATOM 80 N ILE A 22 -27.759 -3.042 -36.414 1.00 9.74 N ATOM 81 CA ILE A 22 -26.394 -2.523 -36.383 1.00 9.35 C ATOM 82 C ILE A 22 -25.388 -3.663 -36.280 1.00 9.18 C ATOM 83 O ILE A 22 -24.374 -3.678 -36.989 1.00 9.60 O ATOM 84 CB ILE A 22 -26.242 -1.494 -35.248 1.00 9.04 C ATOM 85 CG1 ILE A 22 -26.903 -0.178 -35.650 1.00 10.15 C ATOM 86 CG2 ILE A 22 -24.778 -1.259 -34.893 1.00 9.89 C ATOM 87 CD1 ILE A 22 -26.946 0.861 -34.549 1.00 9.92 C ATOM 88 H ILE A 22 -28.424 -2.790 -35.655 1.00 0.00 H ATOM 89 N ILE A 23 -25.668 -4.645 -35.419 1.00 8.64 N ATOM 90 CA ILE A 23 -24.778 -5.791 -35.255 1.00 9.69 C ATOM 91 C ILE A 23 -24.564 -6.511 -36.581 1.00 11.43 C ATOM 92 O ILE A 23 -23.442 -6.918 -36.908 1.00 11.39 O ATOM 93 CB ILE A 23 -25.320 -6.731 -34.160 1.00 8.18 C ATOM 94 CG1 ILE A 23 -25.173 -6.081 -32.780 1.00 9.08 C ATOM 95 CG2 ILE A 23 -24.641 -8.102 -34.224 1.00 10.76 C ATOM 96 CD1 ILE A 23 -26.049 -6.693 -31.714 1.00 10.45 C ATOM 97 H ILE A 23 -26.539 -4.592 -34.853 1.00 0.00 H ATOM 98 N ARG A 24 -25.626 -6.680 -37.364 1.00 9.10 N ATOM 99 CA ARG A 24 -25.544 -7.391 -38.634 1.00 8.96 C ATOM 100 C ARG A 24 -25.151 -6.489 -39.803 1.00 11.35 C ATOM 101 O ARG A 24 -25.212 -6.931 -40.958 1.00 12.01 O ATOM 102 CB ARG A 24 -26.856 -8.137 -38.911 1.00 12.53 C ATOM 103 CG ARG A 24 -27.143 -9.245 -37.899 1.00 11.59 C ATOM 104 CD ARG A 24 -28.320 -10.112 -38.329 1.00 13.57 C ATOM 105 NE ARG A 24 -29.496 -9.295 -38.604 1.00 12.68 N ATOM 106 CZ ARG A 24 -30.378 -8.913 -37.685 1.00 15.10 C ATOM 107 NH1 ARG A 24 -30.243 -9.292 -36.421 1.00 14.83 N ATOM 108 NH2 ARG A 24 -31.403 -8.152 -38.030 1.00 16.45 N ATOM 109 HE ARG A 24 -29.656 -8.990 -39.585 1.00 0.00 H ATOM 110 HH12 ARG A 24 -30.938 -8.988 -35.710 1.00 0.00 H ATOM 111 HH11 ARG A 24 -29.442 -9.893 -36.141 1.00 0.00 H ATOM 112 HH22 ARG A 24 -32.093 -7.853 -37.312 1.00 0.00 H ATOM 113 HH21 ARG A 24 -31.519 -7.853 -39.019 1.00 0.00 H ATOM 114 H ARG A 24 -26.543 -6.293 -37.061 1.00 0.00 H ATOM 115 N LYS A 25 -24.739 -5.248 -39.534 1.00 10.36 N ATOM 116 CA LYS A 25 -24.255 -4.332 -40.571 1.00 12.17 C ATOM 117 C LYS A 25 -25.355 -3.946 -41.557 1.00 12.12 C ATOM 118 O LYS A 25 -25.070 -3.564 -42.689 1.00 13.29 O ATOM 119 CB LYS A 25 -23.022 -4.859 -41.330 1.00 14.25 C ATOM 120 CG LYS A 25 -21.963 -5.559 -40.493 1.00 15.50 C ATOM 121 CD LYS A 25 -21.254 -4.573 -39.604 1.00 14.00 C ATOM 122 CE LYS A 25 -20.116 -5.230 -38.834 1.00 13.40 C ATOM 123 NZ LYS A 25 -19.546 -4.246 -37.895 1.00 11.68 N ATOM 124 HZ1 LYS A 25 -19.186 -3.429 -38.428 1.00 0.00 H ATOM 125 HZ2 LYS A 25 -20.284 -3.932 -37.233 1.00 0.00 H ATOM 126 HZ3 LYS A 25 -18.767 -4.686 -37.364 1.00 0.00 H ATOM 127 H LYS A 25 -24.762 -4.918 -38.548 1.00 0.00 H ATOM 128 N GLU A 26 -26.614 -4.027 -41.134 1.00 11.89 N ATOM 129 CA GLU A 26 -27.743 -3.668 -41.983 1.00 14.12 C ATOM 130 C GLU A 26 -28.092 -2.192 -41.913 1.00 13.36 C ATOM 131 O GLU A 26 -28.701 -1.665 -42.852 1.00 17.91 O ATOM 132 CB GLU A 26 -28.961 -4.529 -41.626 1.00 13.75 C ATOM 133 CG GLU A 26 -28.731 -6.010 -41.920 1.00 14.24 C ATOM 134 CD GLU A 26 -29.676 -6.942 -41.176 1.00 14.73 C ATOM 135 OE1 GLU A 26 -30.532 -6.456 -40.404 1.00 18.94 O ATOM 136 OE2 GLU A 26 -29.554 -8.175 -41.349 1.00 16.75 O ATOM 137 H GLU A 26 -26.799 -4.357 -40.165 1.00 0.00 H ATOM 138 N ILE A 27 -27.734 -1.517 -40.826 1.00 13.02 N ATOM 139 CA ILE A 27 -27.826 -0.062 -40.761 1.00 14.51 C ATOM 140 C ILE A 27 -26.492 0.457 -40.237 1.00 13.37 C ATOM 141 O ILE A 27 -25.809 -0.242 -39.473 1.00 13.83 O ATOM 142 CB ILE A 27 -29.029 0.429 -39.935 1.00 22.09 C ATOM 143 CG1 ILE A 27 -28.879 0.044 -38.473 1.00 21.94 C ATOM 144 CG2 ILE A 27 -30.345 -0.105 -40.496 1.00 20.63 C ATOM 145 CD1 ILE A 27 -29.956 0.636 -37.583 1.00 20.80 C ATOM 146 H ILE A 27 -27.379 -2.039 -40.000 1.00 0.00 H ATOM 147 N PRO A 28 -26.073 1.649 -40.636 1.00 14.44 N ATOM 148 CA PRO A 28 -24.701 2.079 -40.365 1.00 14.39 C ATOM 149 C PRO A 28 -24.490 2.497 -38.920 1.00 13.05 C ATOM 150 O PRO A 28 -25.407 2.899 -38.198 1.00 13.75 O ATOM 151 CB PRO A 28 -24.516 3.279 -41.301 1.00 21.76 C ATOM 152 CG PRO A 28 -25.892 3.811 -41.494 1.00 23.12 C ATOM 153 CD PRO A 28 -26.799 2.609 -41.482 1.00 17.36 C ATOM 154 N ALA A 29 -23.231 2.400 -38.513 1.00 11.68 N ATOM 155 CA ALA A 29 -22.826 2.825 -37.188 1.00 10.15 C ATOM 156 C ALA A 29 -21.357 3.196 -37.253 1.00 11.01 C ATOM 157 O ALA A 29 -20.616 2.736 -38.127 1.00 12.89 O ATOM 158 CB ALA A 29 -23.066 1.720 -36.150 1.00 12.26 C ATOM 159 H ALA A 29 -22.517 2.009 -39.161 1.00 0.00 H ATOM 160 N LYS A 30 -20.947 4.054 -36.330 1.00 9.22 N ATOM 161 CA LYS A 30 -19.554 4.466 -36.196 1.00 9.08 C ATOM 162 C LYS A 30 -18.969 3.596 -35.093 1.00 7.97 C ATOM 163 O LYS A 30 -19.134 3.879 -33.901 1.00 8.60 O ATOM 164 CB LYS A 30 -19.463 5.954 -35.873 1.00 10.10 C ATOM 165 CG LYS A 30 -20.052 6.862 -36.956 1.00 15.41 C ATOM 166 CD LYS A 30 -19.593 6.486 -38.361 1.00 25.17 C ATOM 167 CE LYS A 30 -18.088 6.612 -38.543 1.00 26.15 C ATOM 168 NZ LYS A 30 -17.588 7.968 -38.211 1.00 28.56 N ATOM 169 HZ1 LYS A 30 -18.046 8.666 -38.831 1.00 0.00 H ATOM 170 HZ2 LYS A 30 -17.811 8.185 -37.219 1.00 0.00 H ATOM 171 HZ3 LYS A 30 -16.558 8.000 -38.352 1.00 0.00 H ATOM 172 H LYS A 30 -21.649 4.451 -35.673 1.00 0.00 H ATOM 173 N ILE A 31 -18.306 2.524 -35.500 1.00 8.61 N ATOM 174 CA ILE A 31 -17.903 1.463 -34.587 1.00 9.08 C ATOM 175 C ILE A 31 -16.533 1.775 -34.007 1.00 9.64 C ATOM 176 O ILE A 31 -15.619 2.197 -34.726 1.00 12.50 O ATOM 177 CB ILE A 31 -17.931 0.104 -35.302 1.00 10.92 C ATOM 178 CG1 ILE A 31 -19.383 -0.201 -35.663 1.00 13.00 C ATOM 179 CG2 ILE A 31 -17.366 -1.004 -34.413 1.00 10.92 C ATOM 180 CD1 ILE A 31 -19.553 -1.283 -36.671 1.00 19.18 C ATOM 181 H ILE A 31 -18.064 2.437 -36.508 1.00 0.00 H ATOM 182 N ILE A 32 -16.408 1.598 -32.695 1.00 8.30 N ATOM 183 CA ILE A 32 -15.165 1.811 -31.973 1.00 10.18 C ATOM 184 C ILE A 32 -14.418 0.505 -31.755 1.00 10.21 C ATOM 185 O ILE A 32 -13.190 0.463 -31.854 1.00 12.96 O ATOM 186 CB ILE A 32 -15.479 2.476 -30.615 1.00 10.01 C ATOM 187 CG1 ILE A 32 -16.165 3.830 -30.811 1.00 9.16 C ATOM 188 CG2 ILE A 32 -14.210 2.614 -29.782 1.00 12.33 C ATOM 189 CD1 ILE A 32 -16.997 4.245 -29.626 1.00 11.05 C ATOM 190 H ILE A 32 -17.244 1.291 -32.157 1.00 0.00 H ATOM 191 N PHE A 33 -15.155 -0.549 -31.428 1.00 9.03 N ATOM 192 CA PHE A 33 -14.564 -1.833 -31.092 1.00 8.39 C ATOM 193 C PHE A 33 -15.595 -2.915 -31.359 1.00 8.65 C ATOM 194 O PHE A 33 -16.796 -2.712 -31.169 1.00 9.06 O ATOM 195 CB PHE A 33 -14.142 -1.869 -29.616 1.00 12.04 C ATOM 196 CG PHE A 33 -13.652 -3.210 -29.167 1.00 13.07 C ATOM 197 CD1 PHE A 33 -14.499 -4.084 -28.513 1.00 10.90 C ATOM 198 CD2 PHE A 33 -12.352 -3.612 -29.439 1.00 16.92 C ATOM 199 CE1 PHE A 33 -14.054 -5.334 -28.110 1.00 14.51 C ATOM 200 CE2 PHE A 33 -11.899 -4.865 -29.038 1.00 17.90 C ATOM 201 CZ PHE A 33 -12.752 -5.719 -28.373 1.00 17.43 C ATOM 202 H PHE A 33 -16.190 -0.453 -31.412 1.00 0.00 H ATOM 203 N GLU A 34 -15.117 -4.074 -31.799 1.00 9.18 N ATOM 204 CA GLU A 34 -16.013 -5.193 -32.031 1.00 8.46 C ATOM 205 C GLU A 34 -15.287 -6.477 -31.676 1.00 9.93 C ATOM 206 O GLU A 34 -14.131 -6.656 -32.076 1.00 10.54 O ATOM 207 CB GLU A 34 -16.432 -5.232 -33.504 1.00 10.16 C ATOM 208 CG GLU A 34 -17.345 -6.384 -33.833 1.00 10.24 C ATOM 209 CD GLU A 34 -18.054 -6.221 -35.157 1.00 9.02 C ATOM 210 OE1 GLU A 34 -17.813 -5.219 -35.868 1.00 10.91 O ATOM 211 OE2 GLU A 34 -18.853 -7.115 -35.477 1.00 11.31 O ATOM 212 H GLU A 34 -14.098 -4.180 -31.978 1.00 0.00 H ATOM 213 N ASP A 35 -15.949 -7.354 -30.924 1.00 8.80 N ATOM 214 CA ASP A 35 -15.450 -8.713 -30.734 1.00 9.95 C ATOM 215 C ASP A 35 -16.613 -9.689 -30.851 1.00 8.58 C ATOM 216 O ASP A 35 -17.717 -9.339 -31.271 1.00 10.10 O ATOM 217 CB ASP A 35 -14.573 -8.872 -29.477 1.00 10.02 C ATOM 218 CG ASP A 35 -15.349 -8.770 -28.165 1.00 12.62 C ATOM 219 OD1 ASP A 35 -16.597 -8.837 -28.148 1.00 10.11 O ATOM 220 OD2 ASP A 35 -14.675 -8.664 -27.119 1.00 15.96 O ATOM 221 H ASP A 35 -16.836 -7.066 -30.464 1.00 0.00 H ATOM 222 N ASP A 36 -16.355 -10.943 -30.493 1.00 9.16 N ATOM 223 CA ASP A 36 -17.385 -11.967 -30.614 1.00 11.00 C ATOM 224 C ASP A 36 -18.532 -11.772 -29.631 1.00 10.23 C ATOM 225 O ASP A 36 -19.618 -12.320 -29.850 1.00 11.80 O ATOM 226 CB ASP A 36 -16.766 -13.341 -30.371 1.00 11.01 C ATOM 227 CG ASP A 36 -16.155 -13.456 -28.996 1.00 13.90 C ATOM 228 OD1 ASP A 36 -15.177 -12.730 -28.721 1.00 17.28 O ATOM 229 OD2 ASP A 36 -16.656 -14.257 -28.186 1.00 15.17 O ATOM 230 H ASP A 36 -15.415 -11.194 -30.125 1.00 0.00 H ATOM 231 N ARG A 37 -18.319 -11.015 -28.551 1.00 8.29 N ATOM 232 CA ARG A 37 -19.341 -10.849 -27.533 1.00 9.14 C ATOM 233 C ARG A 37 -20.043 -9.505 -27.537 1.00 7.45 C ATOM 234 O ARG A 37 -21.145 -9.415 -26.988 1.00 8.77 O ATOM 235 CB ARG A 37 -18.765 -11.093 -26.131 1.00 9.71 C ATOM 236 CG ARG A 37 -18.604 -12.574 -25.821 1.00 11.88 C ATOM 237 CD ARG A 37 -18.298 -12.823 -24.353 1.00 19.15 C ATOM 238 NE ARG A 37 -16.971 -12.361 -23.973 1.00 20.55 N ATOM 239 CZ ARG A 37 -16.567 -12.224 -22.713 1.00 19.91 C ATOM 240 NH1 ARG A 37 -17.397 -12.502 -21.716 1.00 19.00 N ATOM 241 NH2 ARG A 37 -15.340 -11.799 -22.449 1.00 23.47 N ATOM 242 HE ARG A 37 -16.299 -12.124 -24.731 1.00 0.00 H ATOM 243 HH12 ARG A 37 -17.081 -12.395 -20.731 1.00 0.00 H ATOM 244 HH11 ARG A 37 -18.364 -12.827 -21.919 1.00 0.00 H ATOM 245 HH22 ARG A 37 -15.027 -11.693 -21.463 1.00 0.00 H ATOM 246 HH21 ARG A 37 -14.690 -11.571 -23.228 1.00 0.00 H ATOM 247 H ARG A 37 -17.403 -10.535 -28.437 1.00 0.00 H ATOM 248 N CYS A 38 -19.451 -8.471 -28.127 1.00 7.38 N ATOM 249 CA CYS A 38 -20.022 -7.142 -27.962 1.00 6.80 C ATOM 250 C CYS A 38 -19.561 -6.218 -29.074 1.00 8.00 C ATOM 251 O CYS A 38 -18.670 -6.538 -29.868 1.00 8.19 O ATOM 252 CB CYS A 38 -19.673 -6.553 -26.594 1.00 8.04 C ATOM 253 SG CYS A 38 -17.964 -6.022 -26.457 1.00 11.53 S ATOM 254 H CYS A 38 -18.593 -8.610 -28.698 1.00 0.00 H ATOM 255 N LEU A 39 -20.169 -5.036 -29.081 1.00 6.87 N ATOM 256 CA LEU A 39 -19.935 -4.024 -30.093 1.00 6.30 C ATOM 257 C LEU A 39 -20.019 -2.679 -29.394 1.00 6.45 C ATOM 258 O LEU A 39 -20.950 -2.455 -28.614 1.00 7.00 O ATOM 259 CB LEU A 39 -21.043 -4.078 -31.149 1.00 9.61 C ATOM 260 CG LEU A 39 -20.848 -3.138 -32.335 1.00 10.09 C ATOM 261 CD1 LEU A 39 -19.747 -3.679 -33.236 1.00 11.10 C ATOM 262 CD2 LEU A 39 -22.137 -2.955 -33.109 1.00 12.01 C ATOM 263 H LEU A 39 -20.848 -4.826 -28.321 1.00 0.00 H ATOM 264 N ALA A 40 -19.065 -1.792 -29.662 1.00 6.27 N ATOM 265 CA ALA A 40 -19.083 -0.431 -29.134 1.00 6.45 C ATOM 266 C ALA A 40 -19.166 0.540 -30.304 1.00 6.96 C ATOM 267 O ALA A 40 -18.413 0.406 -31.280 1.00 7.75 O ATOM 268 CB ALA A 40 -17.832 -0.147 -28.304 1.00 8.47 C ATOM 269 H ALA A 40 -18.274 -2.080 -30.273 1.00 0.00 H ATOM 270 N PHE A 41 -20.073 1.515 -30.211 1.00 6.09 N ATOM 271 CA PHE A 41 -20.314 2.426 -31.323 1.00 6.02 C ATOM 272 C PHE A 41 -20.859 3.736 -30.767 1.00 6.38 C ATOM 273 O PHE A 41 -21.437 3.775 -29.675 1.00 6.57 O ATOM 274 CB PHE A 41 -21.276 1.813 -32.365 1.00 7.25 C ATOM 275 CG PHE A 41 -22.618 1.410 -31.802 1.00 6.42 C ATOM 276 CD1 PHE A 41 -23.724 2.232 -31.942 1.00 8.56 C ATOM 277 CD2 PHE A 41 -22.775 0.193 -31.146 1.00 9.56 C ATOM 278 CE1 PHE A 41 -24.960 1.858 -31.426 1.00 8.92 C ATOM 279 CE2 PHE A 41 -24.003 -0.176 -30.625 1.00 10.40 C ATOM 280 CZ PHE A 41 -25.095 0.646 -30.764 1.00 8.80 C ATOM 281 H PHE A 41 -20.616 1.626 -29.331 1.00 0.00 H ATOM 282 N HIS A 42 -20.669 4.818 -31.523 1.00 5.99 N ATOM 283 CA HIS A 42 -21.044 6.138 -31.030 1.00 6.14 C ATOM 284 C HIS A 42 -22.553 6.339 -31.055 1.00 7.07 C ATOM 285 O HIS A 42 -23.248 5.866 -31.955 1.00 8.07 O ATOM 286 CB HIS A 42 -20.355 7.225 -31.846 1.00 6.85 C ATOM 287 CG HIS A 42 -18.878 7.250 -31.655 1.00 7.12 C ATOM 288 ND1 HIS A 42 -18.285 7.942 -30.622 1.00 8.01 N ATOM 289 CD2 HIS A 42 -17.878 6.632 -32.325 1.00 8.06 C ATOM 290 CE1 HIS A 42 -16.975 7.776 -30.684 1.00 9.18 C ATOM 291 NE2 HIS A 42 -16.703 6.980 -31.703 1.00 9.35 N ATOM 292 H HIS A 42 -20.251 4.720 -32.470 1.00 0.00 H ATOM 293 N ASP A 43 -23.062 7.033 -30.044 1.00 6.50 N ATOM 294 CA ASP A 43 -24.485 7.340 -29.984 1.00 7.15 C ATOM 295 C ASP A 43 -24.847 8.420 -31.006 1.00 7.87 C ATOM 296 O ASP A 43 -24.123 9.401 -31.178 1.00 10.30 O ATOM 297 CB ASP A 43 -24.833 7.821 -28.575 1.00 7.41 C ATOM 298 CG ASP A 43 -26.302 7.712 -28.268 1.00 8.34 C ATOM 299 OD1 ASP A 43 -27.107 8.434 -28.899 1.00 9.37 O ATOM 300 OD2 ASP A 43 -26.648 6.922 -27.372 1.00 9.49 O ATOM 301 H ASP A 43 -22.435 7.363 -29.283 1.00 0.00 H ATOM 302 N ILE A 44 -25.995 8.241 -31.664 1.00 8.16 N ATOM 303 CA ILE A 44 -26.472 9.181 -32.673 1.00 11.09 C ATOM 304 C ILE A 44 -26.977 10.485 -32.063 1.00 10.52 C ATOM 305 O ILE A 44 -27.093 11.493 -32.773 1.00 12.28 O ATOM 306 CB ILE A 44 -27.554 8.476 -33.519 1.00 14.54 C ATOM 307 CG1 ILE A 44 -27.801 9.210 -34.835 1.00 23.13 C ATOM 308 CG2 ILE A 44 -28.850 8.331 -32.739 1.00 15.50 C ATOM 309 CD1 ILE A 44 -28.780 8.487 -35.745 1.00 26.69 C ATOM 310 H ILE A 44 -26.570 7.401 -31.450 1.00 0.00 H ATOM 311 N SER A 45 -27.289 10.491 -30.769 1.00 9.42 N ATOM 312 CA SER A 45 -27.772 11.680 -30.063 1.00 9.84 C ATOM 313 C SER A 45 -26.893 11.897 -28.838 1.00 8.69 C ATOM 314 O SER A 45 -27.322 11.680 -27.697 1.00 9.96 O ATOM 315 CB SER A 45 -29.240 11.523 -29.667 1.00 10.52 C ATOM 316 OG SER A 45 -30.078 11.508 -30.810 1.00 11.86 O ATOM 317 HG SER A 45 -31.021 11.406 -30.525 1.00 0.00 H ATOM 318 H SER A 45 -27.185 9.607 -30.232 1.00 0.00 H ATOM 319 N PRO A 46 -25.649 12.318 -29.047 1.00 9.08 N ATOM 320 CA PRO A 46 -24.701 12.396 -27.927 1.00 10.75 C ATOM 321 C PRO A 46 -25.111 13.430 -26.891 1.00 10.04 C ATOM 322 O PRO A 46 -25.571 14.527 -27.221 1.00 11.66 O ATOM 323 CB PRO A 46 -23.384 12.779 -28.610 1.00 10.28 C ATOM 324 CG PRO A 46 -23.808 13.477 -29.879 1.00 13.78 C ATOM 325 CD PRO A 46 -25.034 12.731 -30.319 1.00 10.69 C ATOM 326 N GLN A 47 -24.935 13.059 -25.624 1.00 8.72 N ATOM 327 CA GLN A 47 -25.237 13.913 -24.480 1.00 9.46 C ATOM 328 C GLN A 47 -23.978 14.436 -23.812 1.00 8.76 C ATOM 329 O GLN A 47 -24.053 15.074 -22.755 1.00 10.03 O ATOM 330 CB GLN A 47 -26.069 13.138 -23.459 1.00 9.94 C ATOM 331 CG GLN A 47 -27.345 12.560 -24.033 1.00 12.12 C ATOM 332 CD GLN A 47 -28.311 13.628 -24.486 1.00 11.93 C ATOM 333 OE1 GLN A 47 -28.682 14.508 -23.708 1.00 14.40 O ATOM 334 NE2 GLN A 47 -28.720 13.572 -25.748 1.00 12.66 N ATOM 335 HE22 GLN A 47 -28.382 12.811 -26.371 1.00 0.00 H ATOM 336 HE21 GLN A 47 -29.379 14.289 -26.113 1.00 0.00 H ATOM 337 H GLN A 47 -24.561 12.106 -25.439 1.00 0.00 H ATOM 338 N ALA A 48 -22.826 14.162 -24.399 1.00 8.13 N ATOM 339 CA ALA A 48 -21.537 14.613 -23.914 1.00 7.23 C ATOM 340 C ALA A 48 -20.598 14.650 -25.104 1.00 9.23 C ATOM 341 O ALA A 48 -20.896 14.049 -26.148 1.00 8.54 O ATOM 342 CB ALA A 48 -20.999 13.676 -22.818 1.00 8.34 C ATOM 343 H ALA A 48 -22.846 13.586 -25.265 1.00 0.00 H ATOM 344 N PRO A 49 -19.467 15.339 -24.991 1.00 7.90 N ATOM 345 CA PRO A 49 -18.547 15.413 -26.132 1.00 7.86 C ATOM 346 C PRO A 49 -18.149 14.053 -26.678 1.00 7.90 C ATOM 347 O PRO A 49 -18.012 13.903 -27.898 1.00 8.71 O ATOM 348 CB PRO A 49 -17.372 16.223 -25.566 1.00 8.43 C ATOM 349 CG PRO A 49 -18.027 17.132 -24.553 1.00 9.25 C ATOM 350 CD PRO A 49 -19.088 16.263 -23.910 1.00 8.60 C ATOM 351 N THR A 50 -17.972 13.057 -25.816 1.00 6.70 N ATOM 352 CA THR A 50 -17.861 11.663 -26.222 1.00 7.12 C ATOM 353 C THR A 50 -19.015 10.905 -25.586 1.00 7.52 C ATOM 354 O THR A 50 -19.241 11.007 -24.376 1.00 6.86 O ATOM 355 CB THR A 50 -16.516 11.071 -25.807 1.00 8.90 C ATOM 356 OG1 THR A 50 -15.467 11.760 -26.507 1.00 12.34 O ATOM 357 CG2 THR A 50 -16.436 9.591 -26.170 1.00 10.90 C ATOM 358 HG1 THR A 50 -15.495 12.722 -26.276 1.00 0.00 H ATOM 359 H THR A 50 -17.910 13.284 -24.803 1.00 0.00 H ATOM 360 N HIS A 51 -19.754 10.156 -26.398 1.00 6.57 N ATOM 361 CA HIS A 51 -20.891 9.399 -25.887 1.00 6.50 C ATOM 362 C HIS A 51 -21.048 8.189 -26.794 1.00 6.15 C ATOM 363 O HIS A 51 -21.419 8.327 -27.965 1.00 6.87 O ATOM 364 CB HIS A 51 -22.150 10.262 -25.876 1.00 6.46 C ATOM 365 CG HIS A 51 -23.369 9.564 -25.367 1.00 6.15 C ATOM 366 ND1 HIS A 51 -24.596 10.186 -25.296 1.00 8.65 N ATOM 367 CD2 HIS A 51 -23.554 8.307 -24.895 1.00 6.90 C ATOM 368 CE1 HIS A 51 -25.489 9.338 -24.818 1.00 8.09 C ATOM 369 NE2 HIS A 51 -24.884 8.188 -24.571 1.00 7.18 N ATOM 370 H HIS A 51 -19.519 10.109 -27.410 1.00 0.00 H ATOM 371 N PHE A 52 -20.733 7.013 -26.266 1.00 5.21 N ATOM 372 CA PHE A 52 -20.837 5.793 -27.045 1.00 5.84 C ATOM 373 C PHE A 52 -21.579 4.736 -26.241 1.00 5.62 C ATOM 374 O PHE A 52 -21.836 4.894 -25.041 1.00 5.92 O ATOM 375 CB PHE A 52 -19.471 5.302 -27.560 1.00 6.10 C ATOM 376 CG PHE A 52 -18.494 4.894 -26.481 1.00 6.18 C ATOM 377 CD1 PHE A 52 -18.409 3.578 -26.069 1.00 6.48 C ATOM 378 CD2 PHE A 52 -17.627 5.820 -25.915 1.00 7.98 C ATOM 379 CE1 PHE A 52 -17.495 3.197 -25.094 1.00 7.26 C ATOM 380 CE2 PHE A 52 -16.714 5.440 -24.940 1.00 7.89 C ATOM 381 CZ PHE A 52 -16.647 4.126 -24.538 1.00 8.70 C ATOM 382 H PHE A 52 -20.407 6.965 -25.280 1.00 0.00 H ATOM 383 N LEU A 53 -21.945 3.662 -26.932 1.00 5.62 N ATOM 384 CA LEU A 53 -22.698 2.555 -26.369 1.00 6.01 C ATOM 385 C LEU A 53 -21.881 1.285 -26.516 1.00 5.60 C ATOM 386 O LEU A 53 -21.168 1.106 -27.512 1.00 6.68 O ATOM 387 CB LEU A 53 -24.011 2.366 -27.134 1.00 8.01 C ATOM 388 CG LEU A 53 -24.892 3.603 -27.252 1.00 7.68 C ATOM 389 CD1 LEU A 53 -26.152 3.289 -28.065 1.00 12.91 C ATOM 390 CD2 LEU A 53 -25.242 4.140 -25.873 1.00 11.38 C ATOM 391 H LEU A 53 -21.676 3.611 -27.935 1.00 0.00 H ATOM 392 N VAL A 54 -21.988 0.403 -25.529 1.00 5.72 N ATOM 393 CA VAL A 54 -21.450 -0.949 -25.619 1.00 6.26 C ATOM 394 C VAL A 54 -22.627 -1.898 -25.466 1.00 6.68 C ATOM 395 O VAL A 54 -23.359 -1.823 -24.471 1.00 6.94 O ATOM 396 CB VAL A 54 -20.374 -1.221 -24.554 1.00 5.95 C ATOM 397 CG1 VAL A 54 -19.685 -2.553 -24.841 1.00 8.29 C ATOM 398 CG2 VAL A 54 -19.366 -0.082 -24.512 1.00 7.99 C ATOM 399 H VAL A 54 -22.476 0.688 -24.656 1.00 0.00 H ATOM 400 N ILE A 55 -22.809 -2.787 -26.443 1.00 6.15 N ATOM 401 CA ILE A 55 -23.960 -3.687 -26.434 1.00 6.96 C ATOM 402 C ILE A 55 -23.482 -5.121 -26.598 1.00 6.59 C ATOM 403 O ILE A 55 -22.475 -5.373 -27.271 1.00 7.28 O ATOM 404 CB ILE A 55 -24.986 -3.328 -27.522 1.00 6.74 C ATOM 405 CG1 ILE A 55 -24.433 -3.584 -28.928 1.00 7.68 C ATOM 406 CG2 ILE A 55 -25.447 -1.884 -27.378 1.00 7.67 C ATOM 407 CD1 ILE A 55 -25.470 -3.381 -30.030 1.00 10.69 C ATOM 408 H ILE A 55 -22.122 -2.841 -27.222 1.00 0.00 H ATOM 409 N PRO A 56 -24.162 -6.083 -25.994 1.00 6.47 N ATOM 410 CA PRO A 56 -23.861 -7.482 -26.294 1.00 6.32 C ATOM 411 C PRO A 56 -24.350 -7.841 -27.685 1.00 7.16 C ATOM 412 O PRO A 56 -25.340 -7.302 -28.185 1.00 8.64 O ATOM 413 CB PRO A 56 -24.663 -8.245 -25.236 1.00 7.76 C ATOM 414 CG PRO A 56 -25.827 -7.359 -24.951 1.00 9.82 C ATOM 415 CD PRO A 56 -25.309 -5.933 -25.085 1.00 6.90 C ATOM 416 N LYS A 57 -23.651 -8.785 -28.310 1.00 7.55 N ATOM 417 CA LYS A 57 -24.165 -9.337 -29.560 1.00 9.73 C ATOM 418 C LYS A 57 -25.320 -10.298 -29.312 1.00 10.22 C ATOM 419 O LYS A 57 -26.241 -10.385 -30.134 1.00 12.71 O ATOM 420 CB LYS A 57 -23.040 -9.988 -30.362 1.00 10.42 C ATOM 421 CG LYS A 57 -22.076 -8.964 -30.943 1.00 11.05 C ATOM 422 CD LYS A 57 -21.088 -9.596 -31.902 1.00 12.77 C ATOM 423 CE LYS A 57 -20.370 -8.526 -32.708 1.00 10.38 C ATOM 424 NZ LYS A 57 -19.348 -9.116 -33.617 1.00 12.35 N ATOM 425 HZ1 LYS A 57 -18.642 -9.632 -33.054 1.00 0.00 H ATOM 426 HZ2 LYS A 57 -19.811 -9.770 -34.279 1.00 0.00 H ATOM 427 HZ3 LYS A 57 -18.880 -8.356 -34.150 1.00 0.00 H ATOM 428 H LYS A 57 -22.751 -9.125 -27.914 1.00 0.00 H ATOM 429 N LYS A 58 -25.302 -10.997 -28.185 1.00 9.54 N ATOM 430 CA LYS A 58 -26.467 -11.755 -27.749 1.00 11.36 C ATOM 431 C LYS A 58 -27.583 -10.788 -27.387 1.00 11.66 C ATOM 432 O LYS A 58 -27.372 -9.843 -26.621 1.00 12.22 O ATOM 433 CB LYS A 58 -26.102 -12.579 -26.516 1.00 12.88 C ATOM 434 CG LYS A 58 -27.278 -13.315 -25.881 1.00 14.84 C ATOM 435 CD LYS A 58 -26.850 -14.057 -24.621 1.00 16.42 C ATOM 436 CE LYS A 58 -28.028 -14.745 -23.953 1.00 22.97 C ATOM 437 NZ LYS A 58 -27.600 -15.459 -22.718 1.00 22.49 N ATOM 438 HZ1 LYS A 58 -26.889 -16.177 -22.963 1.00 0.00 H ATOM 439 HZ2 LYS A 58 -27.189 -14.777 -22.049 1.00 0.00 H ATOM 440 HZ3 LYS A 58 -28.424 -15.920 -22.282 1.00 0.00 H ATOM 441 H LYS A 58 -24.441 -11.004 -27.602 1.00 0.00 H ATOM 442 N HIS A 59 -28.774 -11.007 -27.937 1.00 10.83 N ATOM 443 CA HIS A 59 -29.899 -10.147 -27.600 1.00 11.04 C ATOM 444 C HIS A 59 -30.402 -10.440 -26.191 1.00 11.90 C ATOM 445 O HIS A 59 -30.804 -11.568 -25.877 1.00 12.68 O ATOM 446 CB HIS A 59 -31.038 -10.307 -28.598 1.00 13.19 C ATOM 447 CG HIS A 59 -32.252 -9.522 -28.222 1.00 13.01 C ATOM 448 ND1 HIS A 59 -32.294 -8.145 -28.287 1.00 14.67 N ATOM 449 CD2 HIS A 59 -33.443 -9.912 -27.711 1.00 13.38 C ATOM 450 CE1 HIS A 59 -33.472 -7.723 -27.865 1.00 14.40 C ATOM 451 NE2 HIS A 59 -34.187 -8.775 -27.505 1.00 15.31 N ATOM 452 H HIS A 59 -28.901 -11.792 -28.607 1.00 0.00 H ATOM 453 N ILE A 60 -30.360 -9.420 -25.343 1.00 10.68 N ATOM 454 CA ILE A 60 -31.004 -9.396 -24.037 1.00 9.66 C ATOM 455 C ILE A 60 -31.814 -8.116 -24.034 1.00 9.01 C ATOM 456 O ILE A 60 -31.273 -7.049 -24.340 1.00 9.82 O ATOM 457 CB ILE A 60 -29.965 -9.372 -22.897 1.00 11.10 C ATOM 458 CG1 ILE A 60 -29.021 -10.568 -23.012 1.00 12.80 C ATOM 459 CG2 ILE A 60 -30.650 -9.369 -21.530 1.00 11.49 C ATOM 460 CD1 ILE A 60 -27.800 -10.489 -22.135 1.00 15.15 C ATOM 461 H ILE A 60 -29.828 -8.575 -25.633 1.00 0.00 H ATOM 462 N SER A 61 -33.108 -8.204 -23.729 1.00 9.09 N ATOM 463 CA SER A 61 -33.966 -7.043 -23.962 1.00 10.00 C ATOM 464 C SER A 61 -33.685 -5.908 -22.980 1.00 10.03 C ATOM 465 O SER A 61 -33.787 -4.733 -23.342 1.00 10.87 O ATOM 466 CB SER A 61 -35.435 -7.447 -23.920 1.00 14.09 C ATOM 467 OG SER A 61 -35.774 -7.959 -22.647 1.00 16.20 O ATOM 468 HG SER A 61 -35.612 -7.265 -21.960 1.00 0.00 H ATOM 469 H SER A 61 -33.500 -9.082 -23.333 1.00 0.00 H ATOM 470 N GLN A 62 -33.347 -6.235 -21.737 1.00 9.14 N ATOM 471 CA GLN A 62 -33.184 -5.232 -20.691 1.00 10.34 C ATOM 472 C GLN A 62 -32.492 -5.915 -19.523 1.00 8.99 C ATOM 473 O GLN A 62 -32.544 -7.139 -19.382 1.00 9.96 O ATOM 474 CB GLN A 62 -34.527 -4.629 -20.273 1.00 11.00 C ATOM 475 CG GLN A 62 -35.544 -5.650 -19.828 1.00 12.77 C ATOM 476 CD GLN A 62 -36.948 -5.265 -20.231 1.00 20.36 C ATOM 477 OE1 GLN A 62 -37.452 -5.714 -21.262 1.00 23.33 O ATOM 478 NE2 GLN A 62 -37.584 -4.430 -19.429 1.00 17.61 N ATOM 479 HE22 GLN A 62 -37.117 -4.078 -18.569 1.00 0.00 H ATOM 480 HE21 GLN A 62 -38.552 -4.125 -19.657 1.00 0.00 H ATOM 481 H GLN A 62 -33.194 -7.237 -21.503 1.00 0.00 H ATOM 482 N ILE A 63 -31.827 -5.109 -18.693 1.00 9.75 N ATOM 483 CA ILE A 63 -31.027 -5.686 -17.618 1.00 10.16 C ATOM 484 C ILE A 63 -31.891 -6.501 -16.659 1.00 10.14 C ATOM 485 O ILE A 63 -31.425 -7.495 -16.091 1.00 11.22 O ATOM 486 CB ILE A 63 -30.183 -4.594 -16.919 1.00 9.91 C ATOM 487 CG1 ILE A 63 -29.184 -5.212 -15.940 1.00 15.30 C ATOM 488 CG2 ILE A 63 -31.062 -3.596 -16.215 1.00 11.54 C ATOM 489 CD1 ILE A 63 -28.167 -6.083 -16.615 1.00 20.69 C ATOM 490 H ILE A 63 -31.879 -4.077 -18.812 1.00 0.00 H ATOM 491 N SER A 64 -33.167 -6.128 -16.493 1.00 10.65 N ATOM 492 CA SER A 64 -34.012 -6.820 -15.523 1.00 11.43 C ATOM 493 C SER A 64 -34.281 -8.270 -15.900 1.00 12.89 C ATOM 494 O SER A 64 -34.703 -9.042 -15.032 1.00 15.14 O ATOM 495 CB SER A 64 -35.332 -6.078 -15.313 1.00 13.05 C ATOM 496 OG SER A 64 -36.103 -6.037 -16.507 1.00 13.93 O ATOM 497 HG SER A 64 -36.948 -5.551 -16.336 1.00 0.00 H ATOM 498 H SER A 64 -33.556 -5.345 -17.055 1.00 0.00 H ATOM 499 N VAL A 65 -34.039 -8.668 -17.150 1.00 11.67 N ATOM 500 CA VAL A 65 -34.258 -10.048 -17.577 1.00 12.02 C ATOM 501 C VAL A 65 -32.955 -10.795 -17.830 1.00 12.12 C ATOM 502 O VAL A 65 -32.989 -11.939 -18.293 1.00 13.61 O ATOM 503 CB VAL A 65 -35.224 -10.165 -18.772 1.00 14.58 C ATOM 504 CG1 VAL A 65 -36.546 -9.482 -18.457 1.00 18.36 C ATOM 505 CG2 VAL A 65 -34.603 -9.596 -20.041 1.00 15.51 C ATOM 506 H VAL A 65 -33.684 -7.976 -17.841 1.00 0.00 H ATOM 507 N ALA A 66 -31.805 -10.189 -17.533 1.00 11.92 N ATOM 508 CA ALA A 66 -30.539 -10.890 -17.699 1.00 12.21 C ATOM 509 C ALA A 66 -30.485 -12.114 -16.790 1.00 14.04 C ATOM 510 O ALA A 66 -30.994 -12.101 -15.664 1.00 14.64 O ATOM 511 CB ALA A 66 -29.373 -9.955 -17.384 1.00 13.07 C ATOM 512 H ALA A 66 -31.812 -9.210 -17.181 1.00 0.00 H ATOM 513 N GLU A 67 -29.867 -13.176 -17.291 1.00 16.66 N ATOM 514 CA GLU A 67 -29.752 -14.430 -16.564 1.00 15.28 C ATOM 515 C GLU A 67 -28.470 -14.442 -15.743 1.00 16.79 C ATOM 516 O GLU A 67 -27.525 -13.695 -16.008 1.00 14.15 O ATOM 517 CB GLU A 67 -29.743 -15.604 -17.545 1.00 19.64 C ATOM 518 CG GLU A 67 -31.067 -15.843 -18.248 1.00 29.15 C ATOM 519 CD GLU A 67 -31.908 -16.900 -17.558 1.00 40.70 C ATOM 520 OE1 GLU A 67 -32.383 -16.648 -16.430 1.00 44.21 O ATOM 521 OE2 GLU A 67 -32.085 -17.990 -18.143 1.00 46.07 O ATOM 522 H GLU A 67 -29.449 -13.109 -18.241 1.00 0.00 H ATOM 523 N ASP A 68 -28.438 -15.321 -14.736 1.00 16.15 N ATOM 524 CA ASP A 68 -27.240 -15.440 -13.910 1.00 16.08 C ATOM 525 C ASP A 68 -26.015 -15.760 -14.757 1.00 16.12 C ATOM 526 O ASP A 68 -24.911 -15.288 -14.467 1.00 18.01 O ATOM 527 CB ASP A 68 -27.432 -16.515 -12.839 1.00 18.66 C ATOM 528 CG ASP A 68 -28.439 -16.116 -11.775 1.00 25.94 C ATOM 529 OD1 ASP A 68 -28.940 -14.974 -11.805 1.00 25.70 O ATOM 530 OD2 ASP A 68 -28.727 -16.954 -10.895 1.00 30.95 O ATOM 531 H ASP A 68 -29.266 -15.920 -14.541 1.00 0.00 H ATOM 532 N ASP A 69 -26.188 -16.550 -15.817 1.00 15.27 N ATOM 533 CA ASP A 69 -25.050 -16.902 -16.657 1.00 18.80 C ATOM 534 C ASP A 69 -24.610 -15.766 -17.573 1.00 17.93 C ATOM 535 O ASP A 69 -23.619 -15.929 -18.292 1.00 19.44 O ATOM 536 CB ASP A 69 -25.348 -18.164 -17.470 1.00 25.33 C ATOM 537 CG ASP A 69 -25.425 -19.409 -16.606 1.00 38.63 C ATOM 538 OD1 ASP A 69 -24.874 -19.384 -15.481 1.00 44.98 O ATOM 539 OD2 ASP A 69 -26.030 -20.408 -17.056 1.00 48.49 O ATOM 540 H ASP A 69 -27.135 -16.915 -16.044 1.00 0.00 H ATOM 541 N ASP A 70 -25.325 -14.641 -17.582 1.00 13.54 N ATOM 542 CA ASP A 70 -24.909 -13.455 -18.324 1.00 12.17 C ATOM 543 C ASP A 70 -23.897 -12.606 -17.560 1.00 13.38 C ATOM 544 O ASP A 70 -23.503 -11.548 -18.056 1.00 11.89 O ATOM 545 CB ASP A 70 -26.128 -12.592 -18.684 1.00 15.20 C ATOM 546 CG ASP A 70 -27.036 -13.242 -19.714 1.00 16.63 C ATOM 547 OD1 ASP A 70 -26.522 -13.870 -20.668 1.00 17.75 O ATOM 548 OD2 ASP A 70 -28.272 -13.100 -19.587 1.00 18.74 O ATOM 549 H ASP A 70 -26.212 -14.607 -17.040 1.00 0.00 H ATOM 550 N GLU A 71 -23.460 -13.036 -16.374 1.00 11.71 N ATOM 551 CA GLU A 71 -22.588 -12.200 -15.551 1.00 10.93 C ATOM 552 C GLU A 71 -21.308 -11.828 -16.284 1.00 12.98 C ATOM 553 O GLU A 71 -20.918 -10.658 -16.316 1.00 11.54 O ATOM 554 CB GLU A 71 -22.239 -12.928 -14.254 1.00 15.83 C ATOM 555 CG GLU A 71 -23.133 -12.588 -13.101 1.00 17.85 C ATOM 556 CD GLU A 71 -22.652 -13.198 -11.802 1.00 19.14 C ATOM 557 OE1 GLU A 71 -21.500 -13.693 -11.759 1.00 21.62 O ATOM 558 OE2 GLU A 71 -23.435 -13.181 -10.832 1.00 22.03 O ATOM 559 H GLU A 71 -23.743 -13.976 -16.032 1.00 0.00 H ATOM 560 N SER A 72 -20.618 -12.810 -16.856 1.00 10.07 N ATOM 561 CA SER A 72 -19.352 -12.515 -17.517 1.00 12.31 C ATOM 562 C SER A 72 -19.558 -11.573 -18.694 1.00 11.26 C ATOM 563 O SER A 72 -18.735 -10.686 -18.938 1.00 10.72 O ATOM 564 CB SER A 72 -18.685 -13.813 -17.968 1.00 13.67 C ATOM 565 OG SER A 72 -19.506 -14.502 -18.890 1.00 21.76 O ATOM 566 HG SER A 72 -19.663 -13.930 -19.683 1.00 0.00 H ATOM 567 H SER A 72 -20.980 -13.785 -16.832 1.00 0.00 H ATOM 568 N LEU A 73 -20.663 -11.746 -19.426 1.00 9.48 N ATOM 569 CA LEU A 73 -20.946 -10.889 -20.570 1.00 8.56 C ATOM 570 C LEU A 73 -21.186 -9.449 -20.139 1.00 9.25 C ATOM 571 O LEU A 73 -20.663 -8.518 -20.759 1.00 9.53 O ATOM 572 CB LEU A 73 -22.153 -11.443 -21.323 1.00 10.95 C ATOM 573 CG LEU A 73 -22.736 -10.547 -22.416 1.00 10.74 C ATOM 574 CD1 LEU A 73 -21.717 -10.271 -23.523 1.00 13.25 C ATOM 575 CD2 LEU A 73 -23.996 -11.194 -22.991 1.00 12.15 C ATOM 576 H LEU A 73 -21.330 -12.503 -19.175 1.00 0.00 H ATOM 577 N LEU A 74 -21.967 -9.249 -19.071 1.00 8.44 N ATOM 578 CA LEU A 74 -22.219 -7.903 -18.574 1.00 7.80 C ATOM 579 C LEU A 74 -20.935 -7.256 -18.078 1.00 7.98 C ATOM 580 O LEU A 74 -20.684 -6.076 -18.351 1.00 8.80 O ATOM 581 CB LEU A 74 -23.271 -7.943 -17.470 1.00 10.46 C ATOM 582 CG LEU A 74 -24.660 -8.421 -17.887 1.00 11.04 C ATOM 583 CD1 LEU A 74 -25.542 -8.571 -16.660 1.00 13.35 C ATOM 584 CD2 LEU A 74 -25.286 -7.458 -18.891 1.00 14.12 C ATOM 585 H LEU A 74 -22.399 -10.064 -18.590 1.00 0.00 H ATOM 586 N GLY A 75 -20.111 -8.006 -17.343 1.00 8.56 N ATOM 587 CA GLY A 75 -18.822 -7.472 -16.945 1.00 8.75 C ATOM 588 C GLY A 75 -17.951 -7.121 -18.136 1.00 8.12 C ATOM 589 O GLY A 75 -17.210 -6.137 -18.106 1.00 9.88 O ATOM 590 H GLY A 75 -20.391 -8.966 -17.058 1.00 0.00 H ATOM 591 N HIS A 76 -18.016 -7.931 -19.195 1.00 8.84 N ATOM 592 CA HIS A 76 -17.246 -7.646 -20.401 1.00 8.49 C ATOM 593 C HIS A 76 -17.668 -6.324 -21.028 1.00 8.43 C ATOM 594 O HIS A 76 -16.826 -5.582 -21.543 1.00 8.92 O ATOM 595 CB HIS A 76 -17.396 -8.798 -21.400 1.00 10.08 C ATOM 596 CG HIS A 76 -16.516 -8.680 -22.606 1.00 10.57 C ATOM 597 ND1 HIS A 76 -15.140 -8.633 -22.523 1.00 14.30 N ATOM 598 CD2 HIS A 76 -16.816 -8.629 -23.926 1.00 11.88 C ATOM 599 CE1 HIS A 76 -14.630 -8.558 -23.741 1.00 12.94 C ATOM 600 NE2 HIS A 76 -15.625 -8.557 -24.609 1.00 11.94 N ATOM 601 H HIS A 76 -18.623 -8.775 -19.160 1.00 0.00 H ATOM 602 N LEU A 77 -18.964 -6.004 -20.989 1.00 7.84 N ATOM 603 CA LEU A 77 -19.395 -4.705 -21.501 1.00 8.15 C ATOM 604 C LEU A 77 -18.685 -3.569 -20.774 1.00 8.24 C ATOM 605 O LEU A 77 -18.275 -2.579 -21.397 1.00 8.46 O ATOM 606 CB LEU A 77 -20.910 -4.548 -21.361 1.00 9.83 C ATOM 607 CG LEU A 77 -21.806 -5.602 -22.010 1.00 8.62 C ATOM 608 CD1 LEU A 77 -23.253 -5.211 -21.785 1.00 12.23 C ATOM 609 CD2 LEU A 77 -21.515 -5.760 -23.497 1.00 11.80 C ATOM 610 H LEU A 77 -19.659 -6.672 -20.599 1.00 0.00 H ATOM 611 N MET A 78 -18.543 -3.692 -19.451 1.00 8.39 N ATOM 612 CA MET A 78 -17.895 -2.652 -18.664 1.00 8.43 C ATOM 613 C MET A 78 -16.400 -2.591 -18.929 1.00 7.99 C ATOM 614 O MET A 78 -15.824 -1.501 -18.998 1.00 8.40 O ATOM 615 CB MET A 78 -18.164 -2.898 -17.184 1.00 10.37 C ATOM 616 CG MET A 78 -19.478 -2.305 -16.731 1.00 13.54 C ATOM 617 SD MET A 78 -19.736 -2.527 -14.970 1.00 20.72 S ATOM 618 CE MET A 78 -20.190 -4.245 -14.988 1.00 15.55 C ATOM 619 H MET A 78 -18.901 -4.545 -18.975 1.00 0.00 H ATOM 620 N ILE A 79 -15.754 -3.746 -19.068 1.00 7.28 N ATOM 621 CA ILE A 79 -14.329 -3.757 -19.369 1.00 8.12 C ATOM 622 C ILE A 79 -14.077 -3.160 -20.746 1.00 8.17 C ATOM 623 O ILE A 79 -13.167 -2.342 -20.924 1.00 8.65 O ATOM 624 CB ILE A 79 -13.764 -5.184 -19.239 1.00 8.70 C ATOM 625 CG1 ILE A 79 -13.780 -5.636 -17.777 1.00 12.31 C ATOM 626 CG2 ILE A 79 -12.350 -5.253 -19.821 1.00 13.34 C ATOM 627 CD1 ILE A 79 -12.889 -4.825 -16.868 1.00 14.99 C ATOM 628 H ILE A 79 -16.268 -4.644 -18.961 1.00 0.00 H ATOM 629 N VAL A 80 -14.884 -3.549 -21.737 1.00 7.30 N ATOM 630 CA VAL A 80 -14.768 -2.936 -23.058 1.00 7.84 C ATOM 631 C VAL A 80 -15.045 -1.438 -22.990 1.00 8.86 C ATOM 632 O VAL A 80 -14.340 -0.632 -23.611 1.00 8.88 O ATOM 633 CB VAL A 80 -15.672 -3.666 -24.068 1.00 8.07 C ATOM 634 CG1 VAL A 80 -15.787 -2.874 -25.362 1.00 9.02 C ATOM 635 CG2 VAL A 80 -15.108 -5.056 -24.344 1.00 9.72 C ATOM 636 H VAL A 80 -15.595 -4.289 -21.568 1.00 0.00 H ATOM 637 N GLY A 81 -16.054 -1.040 -22.212 1.00 8.24 N ATOM 638 CA GLY A 81 -16.343 0.379 -22.063 1.00 7.66 C ATOM 639 C GLY A 81 -15.165 1.163 -21.523 1.00 7.36 C ATOM 640 O GLY A 81 -14.821 2.229 -22.040 1.00 7.98 O ATOM 641 H GLY A 81 -16.634 -1.744 -21.712 1.00 0.00 H ATOM 642 N LYS A 82 -14.524 0.649 -20.471 1.00 7.89 N ATOM 643 CA LYS A 82 -13.393 1.383 -19.916 1.00 8.41 C ATOM 644 C LYS A 82 -12.181 1.352 -20.845 1.00 8.00 C ATOM 645 O LYS A 82 -11.448 2.340 -20.929 1.00 9.28 O ATOM 646 CB LYS A 82 -13.083 0.927 -18.488 1.00 12.47 C ATOM 647 CG LYS A 82 -12.435 -0.421 -18.359 1.00 11.09 C ATOM 648 CD LYS A 82 -10.928 -0.295 -18.264 1.00 13.07 C ATOM 649 CE LYS A 82 -10.300 -1.632 -17.930 1.00 22.47 C ATOM 650 NZ LYS A 82 -8.814 -1.547 -17.908 1.00 23.79 N ATOM 651 HZ1 LYS A 82 -8.471 -1.246 -18.843 1.00 0.00 H ATOM 652 HZ2 LYS A 82 -8.518 -0.855 -17.190 1.00 0.00 H ATOM 653 HZ3 LYS A 82 -8.418 -2.480 -17.676 1.00 0.00 H ATOM 654 H LYS A 82 -14.825 -0.256 -20.056 1.00 0.00 H ATOM 655 N LYS A 83 -11.978 0.256 -21.580 1.00 8.45 N ATOM 656 CA LYS A 83 -10.866 0.222 -22.528 1.00 9.54 C ATOM 657 C LYS A 83 -11.097 1.188 -23.683 1.00 8.64 C ATOM 658 O LYS A 83 -10.174 1.900 -24.102 1.00 11.12 O ATOM 659 CB LYS A 83 -10.636 -1.201 -23.037 1.00 10.93 C ATOM 660 CG LYS A 83 -10.091 -2.137 -21.963 1.00 16.50 C ATOM 661 CD LYS A 83 -9.838 -3.529 -22.513 1.00 18.83 C ATOM 662 CE LYS A 83 -9.138 -4.395 -21.477 1.00 20.99 C ATOM 663 NZ LYS A 83 -8.941 -5.785 -21.970 1.00 24.43 N ATOM 664 HZ1 LYS A 83 -9.866 -6.210 -22.184 1.00 0.00 H ATOM 665 HZ2 LYS A 83 -8.359 -5.767 -22.832 1.00 0.00 H ATOM 666 HZ3 LYS A 83 -8.461 -6.346 -21.238 1.00 0.00 H ATOM 667 H LYS A 83 -12.606 -0.567 -21.479 1.00 0.00 H ATOM 668 N CYS A 84 -12.320 1.224 -24.217 1.00 8.03 N ATOM 669 CA CYS A 84 -12.633 2.183 -25.274 1.00 8.62 C ATOM 670 C CYS A 84 -12.492 3.618 -24.789 1.00 8.17 C ATOM 671 O CYS A 84 -12.018 4.486 -25.533 1.00 9.19 O ATOM 672 CB CYS A 84 -14.052 1.947 -25.782 1.00 8.55 C ATOM 673 SG CYS A 84 -14.253 0.460 -26.768 1.00 10.98 S ATOM 674 H CYS A 84 -13.052 0.567 -23.880 1.00 0.00 H ATOM 675 N ALA A 85 -12.923 3.893 -23.555 1.00 8.97 N ATOM 676 CA ALA A 85 -12.791 5.238 -23.008 1.00 8.45 C ATOM 677 C ALA A 85 -11.329 5.659 -22.958 1.00 9.55 C ATOM 678 O ALA A 85 -10.991 6.796 -23.311 1.00 9.83 O ATOM 679 CB ALA A 85 -13.430 5.294 -21.620 1.00 9.49 C ATOM 680 H ALA A 85 -13.356 3.142 -22.980 1.00 0.00 H ATOM 681 N ALA A 86 -10.443 4.751 -22.535 1.00 10.11 N ATOM 682 CA ALA A 86 -9.015 5.060 -22.539 1.00 11.78 C ATOM 683 C ALA A 86 -8.505 5.289 -23.957 1.00 12.97 C ATOM 684 O ALA A 86 -7.758 6.243 -24.209 1.00 14.83 O ATOM 685 CB ALA A 86 -8.230 3.939 -21.861 1.00 14.93 C ATOM 686 H ALA A 86 -10.771 3.822 -22.202 1.00 0.00 H ATOM 687 N ASP A 87 -8.912 4.433 -24.901 1.00 11.95 N ATOM 688 CA ASP A 87 -8.472 4.570 -26.287 1.00 12.23 C ATOM 689 C ASP A 87 -8.957 5.871 -26.910 1.00 13.32 C ATOM 690 O ASP A 87 -8.321 6.394 -27.834 1.00 16.11 O ATOM 691 CB ASP A 87 -8.962 3.376 -27.110 1.00 14.62 C ATOM 692 CG ASP A 87 -8.272 2.081 -26.734 1.00 25.69 C ATOM 693 OD1 ASP A 87 -7.221 2.135 -26.063 1.00 28.72 O ATOM 694 OD2 ASP A 87 -8.785 1.007 -27.117 1.00 30.65 O ATOM 695 H ASP A 87 -9.553 3.656 -24.643 1.00 0.00 H ATOM 696 N LEU A 88 -10.080 6.398 -26.432 1.00 11.76 N ATOM 697 CA LEU A 88 -10.632 7.666 -26.887 1.00 11.99 C ATOM 698 C LEU A 88 -10.109 8.849 -26.084 1.00 13.38 C ATOM 699 O LEU A 88 -10.590 9.974 -26.265 1.00 16.00 O ATOM 700 CB LEU A 88 -12.160 7.619 -26.848 1.00 13.23 C ATOM 701 CG LEU A 88 -12.777 6.641 -27.850 1.00 12.15 C ATOM 702 CD1 LEU A 88 -14.277 6.502 -27.633 1.00 16.37 C ATOM 703 CD2 LEU A 88 -12.482 7.073 -29.283 1.00 19.32 C ATOM 704 H LEU A 88 -10.592 5.876 -25.693 1.00 0.00 H ATOM 705 N GLY A 89 -9.157 8.617 -25.188 1.00 12.55 N ATOM 706 CA GLY A 89 -8.506 9.713 -24.491 1.00 14.22 C ATOM 707 C GLY A 89 -9.324 10.373 -23.403 1.00 13.01 C ATOM 708 O GLY A 89 -9.076 11.539 -23.079 1.00 14.21 O ATOM 709 H GLY A 89 -8.874 7.638 -24.982 1.00 0.00 H ATOM 710 N LEU A 90 -10.280 9.657 -22.807 1.00 12.85 N ATOM 711 CA LEU A 90 -11.092 10.200 -21.716 1.00 11.99 C ATOM 712 C LEU A 90 -10.348 10.093 -20.382 1.00 13.87 C ATOM 713 O LEU A 90 -10.784 9.444 -19.429 1.00 14.92 O ATOM 714 CB LEU A 90 -12.448 9.513 -21.659 1.00 10.84 C ATOM 715 CG LEU A 90 -13.279 9.650 -22.932 1.00 10.25 C ATOM 716 CD1 LEU A 90 -14.610 8.920 -22.775 1.00 12.09 C ATOM 717 CD2 LEU A 90 -13.502 11.127 -23.283 1.00 15.21 C ATOM 718 H LEU A 90 -10.454 8.683 -23.128 1.00 0.00 H ATOM 719 N ASN A 91 -9.212 10.793 -20.321 1.00 15.04 N ATOM 720 CA ASN A 91 -8.295 10.652 -19.194 1.00 15.72 C ATOM 721 C ASN A 91 -8.782 11.356 -17.933 1.00 14.48 C ATOM 722 O ASN A 91 -8.234 11.108 -16.856 1.00 18.54 O ATOM 723 CB ASN A 91 -6.891 11.141 -19.576 1.00 18.14 C ATOM 724 CG ASN A 91 -6.896 12.533 -20.193 1.00 27.60 C ATOM 725 OD1 ASN A 91 -7.354 13.498 -19.580 1.00 28.20 O ATOM 726 ND2 ASN A 91 -6.353 12.648 -21.406 1.00 26.71 N ATOM 727 HD22 ASN A 91 -5.977 11.807 -21.889 1.00 0.00 H ATOM 728 HD21 ASN A 91 -6.305 13.578 -21.868 1.00 0.00 H ATOM 729 H ASN A 91 -8.976 11.451 -21.091 1.00 0.00 H ATOM 730 N LYS A 92 -9.777 12.228 -18.030 1.00 11.42 N ATOM 731 CA LYS A 92 -10.300 12.902 -16.850 1.00 11.91 C ATOM 732 C LYS A 92 -11.503 12.193 -16.258 1.00 10.99 C ATOM 733 O LYS A 92 -12.003 12.620 -15.210 1.00 13.28 O ATOM 734 CB LYS A 92 -10.669 14.355 -17.173 1.00 16.30 C ATOM 735 H LYS A 92 -10.189 12.433 -18.962 1.00 0.00 H ATOM 736 N GLY A 93 -11.981 11.139 -16.899 1.00 9.58 N ATOM 737 CA GLY A 93 -13.051 10.324 -16.367 1.00 10.65 C ATOM 738 C GLY A 93 -14.254 10.290 -17.287 1.00 9.35 C ATOM 739 O GLY A 93 -14.259 10.852 -18.382 1.00 9.13 O ATOM 740 H GLY A 93 -11.572 10.887 -17.821 1.00 0.00 H ATOM 741 N TYR A 94 -15.293 9.612 -16.808 1.00 7.50 N ATOM 742 CA TYR A 94 -16.481 9.334 -17.610 1.00 7.25 C ATOM 743 C TYR A 94 -17.517 8.694 -16.701 1.00 6.05 C ATOM 744 O TYR A 94 -17.231 8.327 -15.562 1.00 6.42 O ATOM 745 CB TYR A 94 -16.172 8.411 -18.798 1.00 7.34 C ATOM 746 CG TYR A 94 -15.324 7.220 -18.438 1.00 6.83 C ATOM 747 CD1 TYR A 94 -15.903 6.045 -17.958 1.00 7.84 C ATOM 748 CD2 TYR A 94 -13.941 7.259 -18.573 1.00 7.64 C ATOM 749 CE1 TYR A 94 -15.127 4.949 -17.625 1.00 8.21 C ATOM 750 CE2 TYR A 94 -13.154 6.166 -18.243 1.00 8.88 C ATOM 751 CZ TYR A 94 -13.757 5.019 -17.763 1.00 7.69 C ATOM 752 OH TYR A 94 -12.978 3.929 -17.438 1.00 11.04 O ATOM 753 HH TYR A 94 -12.483 3.628 -18.241 1.00 0.00 H ATOM 754 H TYR A 94 -15.258 9.268 -15.827 1.00 0.00 H ATOM 755 N ARG A 95 -18.721 8.547 -17.227 1.00 6.33 N ATOM 756 CA ARG A 95 -19.826 7.936 -16.512 1.00 6.58 C ATOM 757 C ARG A 95 -20.406 6.825 -17.370 1.00 5.04 C ATOM 758 O ARG A 95 -20.600 6.999 -18.579 1.00 6.05 O ATOM 759 CB ARG A 95 -20.909 8.971 -16.188 1.00 6.71 C ATOM 760 CG ARG A 95 -22.150 8.368 -15.557 1.00 6.97 C ATOM 761 CD ARG A 95 -23.023 9.450 -14.946 1.00 7.32 C ATOM 762 NE ARG A 95 -22.329 10.098 -13.836 1.00 6.47 N ATOM 763 CZ ARG A 95 -22.636 11.287 -13.339 1.00 7.28 C ATOM 764 NH1 ARG A 95 -23.646 11.978 -13.844 1.00 7.30 N ATOM 765 NH2 ARG A 95 -21.933 11.767 -12.324 1.00 7.06 N ATOM 766 HE ARG A 95 -21.533 9.587 -13.403 1.00 0.00 H ATOM 767 HH12 ARG A 95 -23.885 12.911 -13.452 1.00 0.00 H ATOM 768 HH11 ARG A 95 -24.200 11.588 -14.633 1.00 0.00 H ATOM 769 HH22 ARG A 95 -22.165 12.699 -11.926 1.00 0.00 H ATOM 770 HH21 ARG A 95 -21.149 11.212 -11.926 1.00 0.00 H ATOM 771 H ARG A 95 -18.884 8.885 -18.197 1.00 0.00 H ATOM 772 N MET A 96 -20.680 5.688 -16.748 1.00 5.75 N ATOM 773 CA MET A 96 -21.343 4.566 -17.402 1.00 5.61 C ATOM 774 C MET A 96 -22.770 4.478 -16.899 1.00 5.53 C ATOM 775 O MET A 96 -23.014 4.629 -15.699 1.00 6.38 O ATOM 776 CB MET A 96 -20.643 3.257 -17.080 1.00 7.77 C ATOM 777 CG MET A 96 -19.235 3.190 -17.571 1.00 8.95 C ATOM 778 SD MET A 96 -18.478 1.608 -17.158 1.00 12.61 S ATOM 779 CE MET A 96 -17.149 1.550 -18.352 1.00 13.41 C ATOM 780 H MET A 96 -20.410 5.591 -15.748 1.00 0.00 H ATOM 781 N VAL A 97 -23.709 4.202 -17.801 1.00 5.45 N ATOM 782 CA VAL A 97 -25.127 4.205 -17.463 1.00 6.59 C ATOM 783 C VAL A 97 -25.822 3.052 -18.169 1.00 6.92 C ATOM 784 O VAL A 97 -25.611 2.828 -19.366 1.00 6.65 O ATOM 785 CB VAL A 97 -25.801 5.530 -17.871 1.00 6.81 C ATOM 786 CG1 VAL A 97 -27.276 5.510 -17.494 1.00 8.03 C ATOM 787 CG2 VAL A 97 -25.094 6.713 -17.235 1.00 8.84 C ATOM 788 H VAL A 97 -23.423 3.978 -18.775 1.00 0.00 H ATOM 789 N VAL A 98 -26.677 2.339 -17.441 1.00 6.72 N ATOM 790 CA VAL A 98 -27.639 1.416 -18.041 1.00 6.52 C ATOM 791 C VAL A 98 -29.032 1.833 -17.601 1.00 7.48 C ATOM 792 O VAL A 98 -29.280 2.007 -16.402 1.00 8.56 O ATOM 793 CB VAL A 98 -27.383 -0.049 -17.650 1.00 7.68 C ATOM 794 CG1 VAL A 98 -28.425 -0.961 -18.317 1.00 9.38 C ATOM 795 CG2 VAL A 98 -25.982 -0.468 -18.021 1.00 10.11 C ATOM 796 H VAL A 98 -26.661 2.442 -16.406 1.00 0.00 H ATOM 797 N ASN A 99 -29.940 1.981 -18.557 1.00 7.78 N ATOM 798 CA ASN A 99 -31.316 2.362 -18.276 1.00 7.97 C ATOM 799 C ASN A 99 -32.223 1.147 -18.374 1.00 9.25 C ATOM 800 O ASN A 99 -32.133 0.371 -19.333 1.00 10.96 O ATOM 801 CB ASN A 99 -31.775 3.410 -19.283 1.00 8.68 C ATOM 802 CG ASN A 99 -30.982 4.682 -19.182 1.00 8.36 C ATOM 803 OD1 ASN A 99 -30.731 5.171 -18.084 1.00 10.01 O ATOM 804 ND2 ASN A 99 -30.569 5.211 -20.310 1.00 8.93 N ATOM 805 HD22 ASN A 99 -30.808 4.758 -21.215 1.00 0.00 H ATOM 806 HD21 ASN A 99 -30.002 6.083 -20.299 1.00 0.00 H ATOM 807 H ASN A 99 -29.658 1.819 -19.545 1.00 0.00 H ATOM 808 N GLU A 100 -33.107 0.990 -17.395 1.00 8.86 N ATOM 809 CA GLU A 100 -34.052 -0.120 -17.368 1.00 9.60 C ATOM 810 C GLU A 100 -35.470 0.428 -17.413 1.00 9.93 C ATOM 811 O GLU A 100 -35.882 1.180 -16.524 1.00 10.63 O ATOM 812 CB GLU A 100 -33.863 -0.971 -16.111 1.00 10.35 C ATOM 813 CG GLU A 100 -35.056 -1.880 -15.790 1.00 14.54 C ATOM 814 CD GLU A 100 -35.223 -3.020 -16.775 1.00 17.02 C ATOM 815 OE1 GLU A 100 -34.209 -3.493 -17.325 1.00 14.38 O ATOM 816 OE2 GLU A 100 -36.376 -3.464 -16.994 1.00 16.08 O ATOM 817 H GLU A 100 -33.126 1.684 -16.620 1.00 0.00 H ATOM 818 N GLY A 101 -36.211 0.049 -18.449 1.00 10.54 N ATOM 819 CA GLY A 101 -37.641 0.268 -18.459 1.00 12.33 C ATOM 820 C GLY A 101 -38.057 1.732 -18.493 1.00 11.98 C ATOM 821 O GLY A 101 -37.291 2.636 -18.842 1.00 11.07 O ATOM 822 H GLY A 101 -35.757 -0.411 -19.264 1.00 0.00 H ATOM 823 N SER A 102 -39.312 1.957 -18.103 1.00 12.53 N ATOM 824 CA SER A 102 -39.923 3.272 -18.265 1.00 12.68 C ATOM 825 C SER A 102 -39.254 4.320 -17.378 1.00 11.46 C ATOM 826 O SER A 102 -38.933 5.424 -17.837 1.00 12.29 O ATOM 827 CB SER A 102 -41.423 3.178 -17.973 1.00 16.17 C ATOM 828 OG SER A 102 -42.051 4.432 -18.132 1.00 22.97 O ATOM 829 HG SER A 102 -41.646 5.084 -17.507 1.00 0.00 H ATOM 830 H SER A 102 -39.863 1.184 -17.677 1.00 0.00 H ATOM 831 N ASP A 103 -39.052 4.006 -16.094 1.00 11.89 N ATOM 832 CA ASP A 103 -38.415 4.975 -15.205 1.00 11.35 C ATOM 833 C ASP A 103 -36.946 5.217 -15.544 1.00 11.15 C ATOM 834 O ASP A 103 -36.422 6.284 -15.221 1.00 11.81 O ATOM 835 CB ASP A 103 -38.575 4.562 -13.736 1.00 12.54 C ATOM 836 CG ASP A 103 -39.877 5.070 -13.118 1.00 17.71 C ATOM 837 OD1 ASP A 103 -40.620 5.819 -13.791 1.00 18.71 O ATOM 838 OD2 ASP A 103 -40.150 4.725 -11.949 1.00 17.17 O ATOM 839 H ASP A 103 -39.347 3.077 -15.730 1.00 0.00 H ATOM 840 N GLY A 104 -36.269 4.259 -16.189 1.00 10.89 N ATOM 841 CA GLY A 104 -34.946 4.537 -16.731 1.00 10.84 C ATOM 842 C GLY A 104 -34.958 5.325 -18.021 1.00 9.87 C ATOM 843 O GLY A 104 -33.925 5.879 -18.411 1.00 12.35 O ATOM 844 H GLY A 104 -36.689 3.314 -16.303 1.00 0.00 H ATOM 845 N GLY A 105 -36.106 5.402 -18.684 1.00 11.33 N ATOM 846 CA GLY A 105 -36.166 6.043 -19.978 1.00 12.27 C ATOM 847 C GLY A 105 -35.648 5.190 -21.105 1.00 10.23 C ATOM 848 O GLY A 105 -35.283 5.725 -22.153 1.00 11.69 O ATOM 849 H GLY A 105 -36.969 4.998 -18.269 1.00 0.00 H ATOM 850 N GLN A 106 -35.597 3.874 -20.920 1.00 10.71 N ATOM 851 CA GLN A 106 -35.071 2.993 -21.952 1.00 10.72 C ATOM 852 C GLN A 106 -35.884 3.134 -23.235 1.00 11.15 C ATOM 853 O GLN A 106 -37.119 3.156 -23.204 1.00 13.91 O ATOM 854 CB GLN A 106 -35.107 1.552 -21.452 1.00 10.69 C ATOM 855 CG GLN A 106 -34.422 0.601 -22.410 1.00 10.52 C ATOM 856 CD GLN A 106 -34.232 -0.791 -21.845 1.00 10.07 C ATOM 857 OE1 GLN A 106 -34.731 -1.124 -20.765 1.00 10.58 O ATOM 858 NE2 GLN A 106 -33.509 -1.621 -22.587 1.00 10.84 N ATOM 859 HE22 GLN A 106 -33.108 -1.296 -23.490 1.00 0.00 H ATOM 860 HE21 GLN A 106 -33.343 -2.596 -22.265 1.00 0.00 H ATOM 861 H GLN A 106 -35.938 3.469 -20.025 1.00 0.00 H ATOM 862 N SER A 107 -35.192 3.261 -24.367 1.00 9.02 N ATOM 863 CA SER A 107 -35.849 3.454 -25.649 1.00 10.38 C ATOM 864 C SER A 107 -35.551 2.365 -26.664 1.00 10.28 C ATOM 865 O SER A 107 -36.317 2.213 -27.624 1.00 12.54 O ATOM 866 CB SER A 107 -35.487 4.817 -26.258 1.00 10.52 C ATOM 867 OG SER A 107 -34.102 4.889 -26.554 1.00 10.23 O ATOM 868 HG SER A 107 -33.895 5.775 -26.944 1.00 0.00 H ATOM 869 H SER A 107 -34.153 3.221 -24.332 1.00 0.00 H ATOM 870 N VAL A 108 -34.468 1.616 -26.497 1.00 9.99 N ATOM 871 CA VAL A 108 -34.161 0.468 -27.339 1.00 8.78 C ATOM 872 C VAL A 108 -34.059 -0.725 -26.408 1.00 9.38 C ATOM 873 O VAL A 108 -33.212 -0.740 -25.502 1.00 9.32 O ATOM 874 CB VAL A 108 -32.851 0.659 -28.122 1.00 9.93 C ATOM 875 CG1 VAL A 108 -32.588 -0.553 -29.011 1.00 9.70 C ATOM 876 CG2 VAL A 108 -32.890 1.940 -28.969 1.00 9.51 C ATOM 877 H VAL A 108 -33.809 1.860 -25.730 1.00 0.00 H ATOM 878 N TYR A 109 -34.920 -1.721 -26.620 1.00 8.37 N ATOM 879 CA TYR A 109 -34.957 -2.881 -25.736 1.00 8.78 C ATOM 880 C TYR A 109 -33.976 -3.951 -26.203 1.00 8.98 C ATOM 881 O TYR A 109 -34.314 -5.072 -26.582 1.00 8.46 O ATOM 882 CB TYR A 109 -36.385 -3.368 -25.529 1.00 11.01 C ATOM 883 CG TYR A 109 -37.076 -2.470 -24.529 1.00 12.16 C ATOM 884 CD1 TYR A 109 -37.670 -1.279 -24.915 1.00 13.95 C ATOM 885 CD2 TYR A 109 -37.082 -2.791 -23.178 1.00 12.42 C ATOM 886 CE1 TYR A 109 -38.291 -0.448 -23.981 1.00 15.04 C ATOM 887 CE2 TYR A 109 -37.688 -1.969 -22.244 1.00 13.96 C ATOM 888 CZ TYR A 109 -38.289 -0.803 -22.648 1.00 14.89 C ATOM 889 OH TYR A 109 -38.893 0.008 -21.708 1.00 19.19 O ATOM 890 HH TYR A 109 -39.276 0.803 -22.157 1.00 0.00 H ATOM 891 H TYR A 109 -35.574 -1.670 -27.427 1.00 0.00 H ATOM 892 N HIS A 110 -32.717 -3.533 -26.164 1.00 9.00 N ATOM 893 CA HIS A 110 -31.542 -4.382 -26.289 1.00 7.88 C ATOM 894 C HIS A 110 -30.554 -3.760 -25.318 1.00 8.70 C ATOM 895 O HIS A 110 -30.266 -2.566 -25.434 1.00 9.25 O ATOM 896 CB HIS A 110 -31.020 -4.322 -27.732 1.00 8.59 C ATOM 897 CG HIS A 110 -29.826 -5.184 -27.997 1.00 8.23 C ATOM 898 ND1 HIS A 110 -29.859 -6.234 -28.889 1.00 13.56 N ATOM 899 CD2 HIS A 110 -28.559 -5.133 -27.522 1.00 8.30 C ATOM 900 CE1 HIS A 110 -28.668 -6.805 -28.936 1.00 11.33 C ATOM 901 NE2 HIS A 110 -27.860 -6.154 -28.117 1.00 8.73 N ATOM 902 H HIS A 110 -32.557 -2.514 -26.033 1.00 0.00 H ATOM 903 N VAL A 111 -30.083 -4.536 -24.335 1.00 7.92 N ATOM 904 CA VAL A 111 -29.249 -4.006 -23.253 1.00 8.30 C ATOM 905 C VAL A 111 -28.144 -3.143 -23.827 1.00 7.21 C ATOM 906 O VAL A 111 -27.433 -3.576 -24.740 1.00 8.03 O ATOM 907 CB VAL A 111 -28.642 -5.168 -22.446 1.00 9.33 C ATOM 908 CG1 VAL A 111 -27.455 -4.676 -21.622 1.00 9.73 C ATOM 909 CG2 VAL A 111 -29.679 -5.792 -21.550 1.00 11.56 C ATOM 910 H VAL A 111 -30.317 -5.549 -24.339 1.00 0.00 H ATOM 911 N ASN A 112 -27.973 -1.941 -23.286 1.00 6.63 N ATOM 912 CA ASN A 112 -26.960 -1.037 -23.814 1.00 8.02 C ATOM 913 C ASN A 112 -26.333 -0.235 -22.677 1.00 7.13 C ATOM 914 O ASN A 112 -27.042 0.355 -21.849 1.00 8.83 O ATOM 915 CB ASN A 112 -27.510 -0.162 -24.966 1.00 8.86 C ATOM 916 CG ASN A 112 -28.659 0.758 -24.550 1.00 8.45 C ATOM 917 OD1 ASN A 112 -28.420 1.902 -24.161 1.00 11.12 O ATOM 918 ND2 ASN A 112 -29.900 0.304 -24.709 1.00 10.61 N ATOM 919 HD22 ASN A 112 -30.059 -0.669 -25.040 1.00 0.00 H ATOM 920 HD21 ASN A 112 -30.710 0.922 -24.503 1.00 0.00 H ATOM 921 H ASN A 112 -28.564 -1.645 -22.483 1.00 0.00 H ATOM 922 N LEU A 113 -25.003 -0.264 -22.614 1.00 5.96 N ATOM 923 CA LEU A 113 -24.223 0.487 -21.637 1.00 6.38 C ATOM 924 C LEU A 113 -23.719 1.769 -22.291 1.00 5.91 C ATOM 925 O LEU A 113 -22.979 1.715 -23.280 1.00 7.72 O ATOM 926 CB LEU A 113 -23.041 -0.369 -21.193 1.00 7.88 C ATOM 927 CG LEU A 113 -22.055 0.311 -20.249 1.00 8.13 C ATOM 928 CD1 LEU A 113 -22.652 0.494 -18.873 1.00 12.92 C ATOM 929 CD2 LEU A 113 -20.760 -0.514 -20.178 1.00 12.86 C ATOM 930 H LEU A 113 -24.492 -0.855 -23.300 1.00 0.00 H ATOM 931 N HIS A 114 -24.121 2.909 -21.754 1.00 5.98 N ATOM 932 CA HIS A 114 -23.651 4.205 -22.221 1.00 5.20 C ATOM 933 C HIS A 114 -22.347 4.548 -21.521 1.00 4.93 C ATOM 934 O HIS A 114 -22.198 4.312 -20.318 1.00 6.38 O ATOM 935 CB HIS A 114 -24.651 5.291 -21.827 1.00 6.55 C ATOM 936 CG HIS A 114 -25.988 5.165 -22.480 1.00 5.66 C ATOM 937 ND1 HIS A 114 -26.429 6.051 -23.438 1.00 6.32 N ATOM 938 CD2 HIS A 114 -26.972 4.248 -22.330 1.00 8.83 C ATOM 939 CE1 HIS A 114 -27.634 5.692 -23.843 1.00 6.78 C ATOM 940 NE2 HIS A 114 -27.988 4.602 -23.185 1.00 8.53 N ATOM 941 H HIS A 114 -24.800 2.878 -20.967 1.00 0.00 H ATOM 942 N VAL A 115 -21.424 5.152 -22.258 1.00 5.19 N ATOM 943 CA VAL A 115 -20.214 5.738 -21.693 1.00 5.28 C ATOM 944 C VAL A 115 -20.174 7.187 -22.151 1.00 6.29 C ATOM 945 O VAL A 115 -20.155 7.451 -23.357 1.00 6.21 O ATOM 946 CB VAL A 115 -18.947 4.984 -22.128 1.00 6.09 C ATOM 947 CG1 VAL A 115 -17.721 5.579 -21.448 1.00 9.03 C ATOM 948 CG2 VAL A 115 -19.086 3.488 -21.818 1.00 8.53 C ATOM 949 H VAL A 115 -21.570 5.210 -23.286 1.00 0.00 H ATOM 950 N LEU A 116 -20.186 8.119 -21.198 1.00 5.75 N ATOM 951 CA LEU A 116 -20.227 9.550 -21.484 1.00 6.61 C ATOM 952 C LEU A 116 -19.027 10.227 -20.846 1.00 6.35 C ATOM 953 O LEU A 116 -18.753 10.017 -19.661 1.00 6.98 O ATOM 954 CB LEU A 116 -21.500 10.183 -20.921 1.00 8.18 C ATOM 955 CG LEU A 116 -22.837 9.571 -21.335 1.00 7.39 C ATOM 956 CD1 LEU A 116 -23.349 8.601 -20.284 1.00 10.80 C ATOM 957 CD2 LEU A 116 -23.859 10.662 -21.614 1.00 11.72 C ATOM 958 H LEU A 116 -20.165 7.812 -20.204 1.00 0.00 H ATOM 959 N GLY A 117 -18.338 11.056 -21.613 1.00 7.65 N ATOM 960 CA GLY A 117 -17.236 11.801 -21.053 1.00 8.54 C ATOM 961 C GLY A 117 -16.883 13.005 -21.895 1.00 7.61 C ATOM 962 O GLY A 117 -17.591 13.360 -22.839 1.00 7.83 O ATOM 963 H GLY A 117 -18.589 11.170 -22.616 1.00 0.00 H ATOM 964 N GLY A 118 -15.767 13.631 -21.528 1.00 7.55 N ATOM 965 CA GLY A 118 -15.315 14.827 -22.198 1.00 7.74 C ATOM 966 C GLY A 118 -15.881 16.105 -21.632 1.00 9.19 C ATOM 967 O GLY A 118 -15.592 17.182 -22.168 1.00 9.34 O ATOM 968 H GLY A 118 -15.207 13.249 -20.739 1.00 0.00 H ATOM 969 N ARG A 119 -16.706 16.021 -20.595 1.00 8.74 N ATOM 970 CA ARG A 119 -17.185 17.179 -19.858 1.00 9.36 C ATOM 971 C ARG A 119 -17.421 16.729 -18.428 1.00 8.31 C ATOM 972 O ARG A 119 -17.455 15.531 -18.133 1.00 7.99 O ATOM 973 CB ARG A 119 -18.490 17.733 -20.446 1.00 9.72 C ATOM 974 CG ARG A 119 -19.696 16.790 -20.310 1.00 10.52 C ATOM 975 CD ARG A 119 -20.992 17.518 -20.655 1.00 10.57 C ATOM 976 NE ARG A 119 -22.173 16.659 -20.725 1.00 12.00 N ATOM 977 CZ ARG A 119 -22.952 16.348 -19.691 1.00 11.42 C ATOM 978 NH1 ARG A 119 -22.673 16.801 -18.474 1.00 11.36 N ATOM 979 NH2 ARG A 119 -24.013 15.576 -19.868 1.00 12.68 N ATOM 980 HE ARG A 119 -22.424 16.261 -21.653 1.00 0.00 H ATOM 981 HH12 ARG A 119 -23.288 16.552 -17.673 1.00 0.00 H ATOM 982 HH11 ARG A 119 -21.840 17.404 -18.322 1.00 0.00 H ATOM 983 HH22 ARG A 119 -24.621 15.334 -19.059 1.00 0.00 H ATOM 984 HH21 ARG A 119 -24.239 15.212 -20.816 1.00 0.00 H ATOM 985 H ARG A 119 -17.026 15.078 -20.294 1.00 0.00 H ATOM 986 N GLN A 120 -17.585 17.700 -17.535 1.00 8.42 N ATOM 987 CA GLN A 120 -17.960 17.385 -16.161 1.00 7.31 C ATOM 988 C GLN A 120 -19.384 16.836 -16.148 1.00 8.61 C ATOM 989 O GLN A 120 -20.315 17.486 -16.636 1.00 9.57 O ATOM 990 CB GLN A 120 -17.886 18.648 -15.306 1.00 8.55 C ATOM 991 CG GLN A 120 -18.298 18.406 -13.857 1.00 9.74 C ATOM 992 CD GLN A 120 -17.310 17.524 -13.130 1.00 9.73 C ATOM 993 OE1 GLN A 120 -16.172 17.917 -12.912 1.00 11.74 O ATOM 994 NE2 GLN A 120 -17.731 16.313 -12.775 1.00 9.32 N ATOM 995 HE22 GLN A 120 -18.708 16.021 -12.981 1.00 0.00 H ATOM 996 HE21 GLN A 120 -17.083 15.658 -12.292 1.00 0.00 H ATOM 997 H GLN A 120 -17.445 18.691 -17.818 1.00 0.00 H ATOM 998 N MET A 121 -19.557 15.633 -15.606 1.00 7.61 N ATOM 999 CA MET A 121 -20.885 15.089 -15.367 1.00 8.09 C ATOM 1000 C MET A 121 -21.384 15.553 -14.001 1.00 7.19 C ATOM 1001 O MET A 121 -20.602 15.715 -13.059 1.00 8.66 O ATOM 1002 CB MET A 121 -20.844 13.557 -15.426 1.00 7.51 C ATOM 1003 CG MET A 121 -20.269 13.023 -16.745 1.00 9.66 C ATOM 1004 SD MET A 121 -21.184 13.499 -18.246 1.00 10.83 S ATOM 1005 CE MET A 121 -22.715 12.608 -17.958 1.00 13.90 C ATOM 1006 H MET A 121 -18.723 15.068 -15.347 1.00 0.00 H ATOM 1007 N HIS A 122 -22.693 15.754 -13.896 1.00 6.82 N ATOM 1008 CA HIS A 122 -23.288 16.353 -12.710 1.00 6.93 C ATOM 1009 C HIS A 122 -24.039 15.312 -11.893 1.00 7.69 C ATOM 1010 O HIS A 122 -24.341 14.206 -12.355 1.00 8.20 O ATOM 1011 CB HIS A 122 -24.244 17.478 -13.112 1.00 9.68 C ATOM 1012 CG HIS A 122 -23.602 18.518 -13.972 1.00 10.99 C ATOM 1013 ND1 HIS A 122 -24.165 18.971 -15.145 1.00 23.25 N ATOM 1014 CD2 HIS A 122 -22.427 19.173 -13.840 1.00 11.28 C ATOM 1015 CE1 HIS A 122 -23.369 19.874 -15.692 1.00 22.74 C ATOM 1016 NE2 HIS A 122 -22.310 20.020 -14.915 1.00 15.79 N ATOM 1017 H HIS A 122 -23.311 15.475 -14.685 1.00 0.00 H ATOM 1018 N TRP A 123 -24.369 15.693 -10.666 1.00 7.92 N ATOM 1019 CA TRP A 123 -25.123 14.827 -9.765 1.00 9.26 C ATOM 1020 C TRP A 123 -26.401 15.576 -9.427 1.00 8.76 C ATOM 1021 O TRP A 123 -26.359 16.793 -9.249 1.00 10.54 O ATOM 1022 CB TRP A 123 -24.292 14.553 -8.514 1.00 9.76 C ATOM 1023 CG TRP A 123 -24.597 13.266 -7.823 1.00 8.68 C ATOM 1024 CD1 TRP A 123 -25.064 13.113 -6.550 1.00 9.89 C ATOM 1025 CD2 TRP A 123 -24.454 11.944 -8.360 1.00 8.13 C ATOM 1026 NE1 TRP A 123 -25.213 11.779 -6.261 1.00 10.36 N ATOM 1027 CE2 TRP A 123 -24.849 11.040 -7.356 1.00 8.69 C ATOM 1028 CE3 TRP A 123 -24.023 11.437 -9.593 1.00 8.70 C ATOM 1029 CZ2 TRP A 123 -24.830 9.656 -7.546 1.00 10.09 C ATOM 1030 CZ3 TRP A 123 -24.008 10.062 -9.782 1.00 9.08 C ATOM 1031 CH2 TRP A 123 -24.408 9.192 -8.763 1.00 9.34 C ATOM 1032 HE1 TRP A 123 -25.548 11.392 -5.356 1.00 0.00 H ATOM 1033 H TRP A 123 -24.082 16.637 -10.336 1.00 0.00 H ATOM 1034 N PRO A 124 -27.556 14.895 -9.368 1.00 8.45 N ATOM 1035 CA PRO A 124 -27.803 13.468 -9.594 1.00 8.25 C ATOM 1036 C PRO A 124 -27.642 13.084 -11.071 1.00 7.30 C ATOM 1037 O PRO A 124 -27.636 13.962 -11.941 1.00 8.56 O ATOM 1038 CB PRO A 124 -29.264 13.305 -9.157 1.00 11.13 C ATOM 1039 CG PRO A 124 -29.875 14.626 -9.415 1.00 15.85 C ATOM 1040 CD PRO A 124 -28.803 15.616 -9.052 1.00 11.12 C ATOM 1041 N PRO A 125 -27.498 11.820 -11.340 1.00 7.41 N ATOM 1042 CA PRO A 125 -27.290 11.363 -12.724 1.00 8.34 C ATOM 1043 C PRO A 125 -28.627 11.219 -13.439 1.00 8.27 C ATOM 1044 O PRO A 125 -29.063 10.116 -13.829 1.00 9.51 O ATOM 1045 CB PRO A 125 -26.578 10.023 -12.513 1.00 8.18 C ATOM 1046 CG PRO A 125 -27.204 9.489 -11.265 1.00 9.07 C ATOM 1047 CD PRO A 125 -27.424 10.704 -10.379 1.00 7.67 C ATOM 1048 N GLY A 126 -29.291 12.355 -13.628 1.00 9.23 N ATOM 1049 CA GLY A 126 -30.659 12.368 -14.110 1.00 10.35 C ATOM 1050 C GLY A 126 -31.654 12.160 -12.989 1.00 11.70 C ATOM 1051 O GLY A 126 -32.829 11.880 -13.229 1.00 13.21 O ATOM 1052 OXT GLY A 126 -31.306 12.269 -11.807 1.00 15.10 O ATOM 1053 H GLY A 126 -28.817 13.258 -13.425 1.00 0.00 H TER 1054 GLY A 126 ATOM 1055 N GLY B 15 -5.216 2.761 -0.610 1.00 38.23 N ATOM 1056 CA GLY B 15 -5.810 3.563 0.443 1.00 31.33 C ATOM 1057 C GLY B 15 -7.225 3.149 0.804 1.00 26.67 C ATOM 1058 O GLY B 15 -8.089 3.043 -0.065 1.00 31.16 O ATOM 1059 HN3 GLY B 15 -5.792 2.842 -1.472 1.00 0.00 H ATOM 1060 HN2 GLY B 15 -5.180 1.766 -0.308 1.00 0.00 H ATOM 1061 HN1 GLY B 15 -4.252 3.102 -0.802 1.00 0.00 H ATOM 1062 N ASP B 16 -7.456 2.924 2.096 1.00 24.36 N ATOM 1063 CA ASP B 16 -8.774 2.531 2.571 1.00 21.72 C ATOM 1064 C ASP B 16 -9.777 3.653 2.326 1.00 18.33 C ATOM 1065 O ASP B 16 -9.418 4.829 2.227 1.00 20.50 O ATOM 1066 CB ASP B 16 -8.711 2.210 4.065 1.00 21.50 C ATOM 1067 CG ASP B 16 -9.973 1.536 4.576 1.00 20.86 C ATOM 1068 OD1 ASP B 16 -10.521 0.670 3.863 1.00 20.25 O ATOM 1069 OD2 ASP B 16 -10.413 1.874 5.697 1.00 23.15 O ATOM 1070 H ASP B 16 -6.679 3.031 2.779 1.00 0.00 H ATOM 1071 N THR B 17 -11.049 3.279 2.204 1.00 12.21 N ATOM 1072 CA THR B 17 -12.127 4.247 2.047 1.00 10.12 C ATOM 1073 C THR B 17 -13.250 3.908 3.009 1.00 9.73 C ATOM 1074 O THR B 17 -13.262 2.853 3.655 1.00 8.89 O ATOM 1075 CB THR B 17 -12.728 4.265 0.629 1.00 10.03 C ATOM 1076 OG1 THR B 17 -13.558 3.106 0.431 1.00 11.20 O ATOM 1077 CG2 THR B 17 -11.644 4.324 -0.445 1.00 12.54 C ATOM 1078 HG1 THR B 17 -13.012 2.288 0.544 1.00 0.00 H ATOM 1079 H THR B 17 -11.280 2.265 2.221 1.00 0.00 H ATOM 1080 N ILE B 18 -14.224 4.811 3.067 1.00 7.95 N ATOM 1081 CA ILE B 18 -15.399 4.590 3.894 1.00 8.43 C ATOM 1082 C ILE B 18 -16.131 3.319 3.483 1.00 7.96 C ATOM 1083 O ILE B 18 -16.756 2.662 4.325 1.00 8.25 O ATOM 1084 CB ILE B 18 -16.298 5.841 3.878 1.00 8.78 C ATOM 1085 CG1 ILE B 18 -17.375 5.721 4.954 1.00 12.73 C ATOM 1086 CG2 ILE B 18 -16.902 6.060 2.488 1.00 10.06 C ATOM 1087 CD1 ILE B 18 -17.874 7.061 5.458 1.00 13.26 C ATOM 1088 H ILE B 18 -14.144 5.688 2.513 1.00 0.00 H ATOM 1089 N PHE B 19 -16.064 2.940 2.203 1.00 8.19 N ATOM 1090 CA PHE B 19 -16.706 1.690 1.798 1.00 7.77 C ATOM 1091 C PHE B 19 -15.990 0.471 2.377 1.00 7.57 C ATOM 1092 O PHE B 19 -16.635 -0.544 2.674 1.00 8.09 O ATOM 1093 CB PHE B 19 -16.831 1.609 0.277 1.00 7.99 C ATOM 1094 CG PHE B 19 -17.823 2.590 -0.314 1.00 8.15 C ATOM 1095 CD1 PHE B 19 -18.671 3.336 0.496 1.00 7.11 C ATOM 1096 CD2 PHE B 19 -17.908 2.754 -1.691 1.00 8.09 C ATOM 1097 CE1 PHE B 19 -19.573 4.238 -0.057 1.00 8.57 C ATOM 1098 CE2 PHE B 19 -18.809 3.652 -2.238 1.00 9.82 C ATOM 1099 CZ PHE B 19 -19.636 4.381 -1.428 1.00 9.88 C ATOM 1100 H PHE B 19 -15.562 3.526 1.505 1.00 0.00 H ATOM 1101 N GLY B 20 -14.670 0.550 2.548 1.00 8.32 N ATOM 1102 CA GLY B 20 -13.969 -0.489 3.286 1.00 9.49 C ATOM 1103 C GLY B 20 -14.468 -0.610 4.712 1.00 8.95 C ATOM 1104 O GLY B 20 -14.672 -1.717 5.220 1.00 9.82 O ATOM 1105 H GLY B 20 -14.142 1.354 2.154 1.00 0.00 H ATOM 1106 N LYS B 21 -14.696 0.524 5.372 1.00 8.56 N ATOM 1107 CA LYS B 21 -15.226 0.494 6.727 1.00 9.21 C ATOM 1108 C LYS B 21 -16.609 -0.137 6.762 1.00 8.87 C ATOM 1109 O LYS B 21 -16.947 -0.857 7.709 1.00 9.57 O ATOM 1110 CB LYS B 21 -15.274 1.910 7.299 1.00 10.60 C ATOM 1111 CG LYS B 21 -13.906 2.517 7.565 1.00 13.69 C ATOM 1112 CD LYS B 21 -14.042 3.917 8.147 1.00 16.04 C ATOM 1113 CE LYS B 21 -12.696 4.507 8.531 1.00 27.34 C ATOM 1114 NZ LYS B 21 -12.214 3.976 9.836 1.00 34.18 N ATOM 1115 HZ1 LYS B 21 -12.900 4.213 10.580 1.00 0.00 H ATOM 1116 HZ2 LYS B 21 -12.113 2.943 9.773 1.00 0.00 H ATOM 1117 HZ3 LYS B 21 -11.293 4.402 10.063 1.00 0.00 H ATOM 1118 H LYS B 21 -14.494 1.437 4.916 1.00 0.00 H ATOM 1119 N ILE B 22 -17.429 0.119 5.744 1.00 7.57 N ATOM 1120 CA ILE B 22 -18.761 -0.468 5.710 1.00 7.04 C ATOM 1121 C ILE B 22 -18.673 -1.980 5.524 1.00 8.19 C ATOM 1122 O ILE B 22 -19.363 -2.740 6.214 1.00 8.18 O ATOM 1123 CB ILE B 22 -19.611 0.225 4.629 1.00 7.94 C ATOM 1124 CG1 ILE B 22 -19.961 1.651 5.088 1.00 8.55 C ATOM 1125 CG2 ILE B 22 -20.863 -0.582 4.324 1.00 9.48 C ATOM 1126 CD1 ILE B 22 -20.634 2.516 4.002 1.00 10.15 C ATOM 1127 H ILE B 22 -17.117 0.740 4.971 1.00 0.00 H ATOM 1128 N ILE B 23 -17.808 -2.437 4.615 1.00 7.20 N ATOM 1129 CA ILE B 23 -17.614 -3.875 4.413 1.00 8.05 C ATOM 1130 C ILE B 23 -17.156 -4.538 5.703 1.00 8.22 C ATOM 1131 O ILE B 23 -17.587 -5.652 6.034 1.00 9.29 O ATOM 1132 CB ILE B 23 -16.610 -4.121 3.272 1.00 9.16 C ATOM 1133 CG1 ILE B 23 -17.197 -3.726 1.918 1.00 9.62 C ATOM 1134 CG2 ILE B 23 -16.160 -5.584 3.239 1.00 11.32 C ATOM 1135 CD1 ILE B 23 -16.140 -3.541 0.851 1.00 10.77 C ATOM 1136 H ILE B 23 -17.264 -1.762 4.042 1.00 0.00 H ATOM 1137 N ARG B 24 -16.245 -3.897 6.424 1.00 7.21 N ATOM 1138 CA ARG B 24 -15.702 -4.449 7.659 1.00 8.40 C ATOM 1139 C ARG B 24 -16.647 -4.303 8.842 1.00 8.36 C ATOM 1140 O ARG B 24 -16.322 -4.794 9.935 1.00 8.83 O ATOM 1141 CB ARG B 24 -14.336 -3.818 7.952 1.00 8.70 C ATOM 1142 CG ARG B 24 -13.291 -4.171 6.887 1.00 9.90 C ATOM 1143 CD ARG B 24 -11.879 -3.797 7.308 1.00 10.93 C ATOM 1144 NE ARG B 24 -11.774 -2.389 7.683 1.00 12.16 N ATOM 1145 CZ ARG B 24 -11.494 -1.401 6.842 1.00 15.67 C ATOM 1146 NH1 ARG B 24 -11.270 -1.666 5.561 1.00 15.31 N ATOM 1147 NH2 ARG B 24 -11.436 -0.154 7.294 1.00 17.20 N ATOM 1148 HE ARG B 24 -11.930 -2.143 8.681 1.00 0.00 H ATOM 1149 HH12 ARG B 24 -11.050 -0.893 4.901 1.00 0.00 H ATOM 1150 HH11 ARG B 24 -11.314 -2.647 5.217 1.00 0.00 H ATOM 1151 HH22 ARG B 24 -11.217 0.626 6.642 1.00 0.00 H ATOM 1152 HH21 ARG B 24 -11.609 0.043 8.300 1.00 0.00 H ATOM 1153 H ARG B 24 -15.907 -2.969 6.097 1.00 0.00 H ATOM 1154 N LYS B 25 -17.805 -3.668 8.647 1.00 7.38 N ATOM 1155 CA LYS B 25 -18.835 -3.473 9.661 1.00 7.78 C ATOM 1156 C LYS B 25 -18.384 -2.525 10.761 1.00 9.16 C ATOM 1157 O LYS B 25 -18.937 -2.538 11.864 1.00 10.80 O ATOM 1158 CB LYS B 25 -19.396 -4.795 10.216 1.00 9.14 C ATOM 1159 CG LYS B 25 -19.709 -5.843 9.138 1.00 9.59 C ATOM 1160 CD LYS B 25 -20.775 -5.347 8.166 1.00 10.70 C ATOM 1161 CE LYS B 25 -20.947 -6.271 6.963 1.00 12.44 C ATOM 1162 NZ LYS B 25 -21.348 -7.652 7.344 1.00 17.41 N ATOM 1163 HZ1 LYS B 25 -20.619 -8.066 7.960 1.00 0.00 H ATOM 1164 HZ2 LYS B 25 -22.255 -7.621 7.852 1.00 0.00 H ATOM 1165 HZ3 LYS B 25 -21.449 -8.231 6.486 1.00 0.00 H ATOM 1166 H LYS B 25 -17.987 -3.282 7.698 1.00 0.00 H ATOM 1167 N GLU B 26 -17.388 -1.688 10.467 1.00 9.01 N ATOM 1168 CA GLU B 26 -16.876 -0.744 11.453 1.00 11.05 C ATOM 1169 C GLU B 26 -17.789 0.456 11.613 1.00 11.34 C ATOM 1170 O GLU B 26 -17.779 1.099 12.669 1.00 14.26 O ATOM 1171 CB GLU B 26 -15.470 -0.289 11.069 1.00 11.11 C ATOM 1172 CG GLU B 26 -14.454 -1.415 11.113 1.00 12.15 C ATOM 1173 CD GLU B 26 -13.129 -1.044 10.490 1.00 14.91 C ATOM 1174 OE1 GLU B 26 -12.990 0.107 10.024 1.00 19.60 O ATOM 1175 OE2 GLU B 26 -12.225 -1.904 10.455 1.00 16.41 O ATOM 1176 H GLU B 26 -16.968 -1.709 9.516 1.00 0.00 H ATOM 1177 N ILE B 27 -18.556 0.793 10.584 1.00 10.76 N ATOM 1178 CA ILE B 27 -19.578 1.830 10.708 1.00 12.21 C ATOM 1179 C ILE B 27 -20.881 1.271 10.153 1.00 12.62 C ATOM 1180 O ILE B 27 -20.853 0.370 9.302 1.00 12.97 O ATOM 1181 CB ILE B 27 -19.179 3.131 9.993 1.00 13.13 C ATOM 1182 CG1 ILE B 27 -19.083 2.912 8.487 1.00 10.26 C ATOM 1183 CG2 ILE B 27 -17.872 3.685 10.558 1.00 17.15 C ATOM 1184 CD1 ILE B 27 -19.041 4.191 7.692 1.00 14.48 C ATOM 1185 H ILE B 27 -18.427 0.310 9.672 1.00 0.00 H ATOM 1186 N PRO B 28 -22.032 1.758 10.592 1.00 11.68 N ATOM 1187 CA PRO B 28 -23.294 1.181 10.134 1.00 12.20 C ATOM 1188 C PRO B 28 -23.662 1.619 8.726 1.00 10.29 C ATOM 1189 O PRO B 28 -23.266 2.682 8.239 1.00 12.16 O ATOM 1190 CB PRO B 28 -24.313 1.725 11.143 1.00 16.01 C ATOM 1191 CG PRO B 28 -23.718 2.999 11.610 1.00 18.69 C ATOM 1192 CD PRO B 28 -22.238 2.745 11.666 1.00 15.26 C ATOM 1193 N ALA B 29 -24.441 0.759 8.082 1.00 12.09 N ATOM 1194 CA ALA B 29 -25.088 1.046 6.815 1.00 11.39 C ATOM 1195 C ALA B 29 -26.356 0.209 6.770 1.00 10.57 C ATOM 1196 O ALA B 29 -26.471 -0.801 7.471 1.00 12.91 O ATOM 1197 CB ALA B 29 -24.180 0.707 5.627 1.00 13.19 C ATOM 1198 H ALA B 29 -24.597 -0.176 8.510 1.00 0.00 H ATOM 1199 N LYS B 30 -27.312 0.633 5.946 1.00 10.76 N ATOM 1200 CA LYS B 30 -28.557 -0.112 5.776 1.00 10.28 C ATOM 1201 C LYS B 30 -28.310 -1.133 4.674 1.00 10.49 C ATOM 1202 O LYS B 30 -28.453 -0.842 3.481 1.00 9.68 O ATOM 1203 CB LYS B 30 -29.716 0.824 5.457 1.00 14.59 C ATOM 1204 CG LYS B 30 -29.933 1.920 6.498 1.00 20.08 C ATOM 1205 CD LYS B 30 -31.225 2.686 6.241 1.00 33.69 C ATOM 1206 CE LYS B 30 -31.122 3.565 5.003 1.00 33.64 C ATOM 1207 NZ LYS B 30 -32.431 4.185 4.645 1.00 36.89 N ATOM 1208 HZ1 LYS B 30 -33.127 3.436 4.455 1.00 0.00 H ATOM 1209 HZ2 LYS B 30 -32.762 4.775 5.435 1.00 0.00 H ATOM 1210 HZ3 LYS B 30 -32.313 4.775 3.796 1.00 0.00 H ATOM 1211 H LYS B 30 -27.169 1.514 5.412 1.00 0.00 H ATOM 1212 N ILE B 31 -27.914 -2.334 5.082 1.00 9.91 N ATOM 1213 CA ILE B 31 -27.502 -3.382 4.154 1.00 9.59 C ATOM 1214 C ILE B 31 -28.733 -4.049 3.561 1.00 10.59 C ATOM 1215 O ILE B 31 -29.676 -4.404 4.280 1.00 12.75 O ATOM 1216 CB ILE B 31 -26.588 -4.397 4.858 1.00 9.82 C ATOM 1217 CG1 ILE B 31 -25.283 -3.710 5.269 1.00 12.61 C ATOM 1218 CG2 ILE B 31 -26.301 -5.586 3.943 1.00 11.47 C ATOM 1219 CD1 ILE B 31 -24.388 -4.554 6.164 1.00 18.25 C ATOM 1220 H ILE B 31 -27.897 -2.535 6.102 1.00 0.00 H ATOM 1221 N ILE B 32 -28.720 -4.218 2.244 1.00 9.03 N ATOM 1222 CA ILE B 32 -29.793 -4.861 1.503 1.00 9.82 C ATOM 1223 C ILE B 32 -29.464 -6.315 1.210 1.00 10.71 C ATOM 1224 O ILE B 32 -30.336 -7.183 1.281 1.00 11.49 O ATOM 1225 CB ILE B 32 -30.015 -4.098 0.182 1.00 8.38 C ATOM 1226 CG1 ILE B 32 -30.442 -2.665 0.465 1.00 9.78 C ATOM 1227 CG2 ILE B 32 -30.999 -4.847 -0.722 1.00 13.01 C ATOM 1228 CD1 ILE B 32 -30.157 -1.752 -0.699 1.00 10.07 C ATOM 1229 H ILE B 32 -27.896 -3.871 1.713 1.00 0.00 H ATOM 1230 N PHE B 33 -28.207 -6.583 0.870 1.00 8.08 N ATOM 1231 CA PHE B 33 -27.788 -7.916 0.466 1.00 7.31 C ATOM 1232 C PHE B 33 -26.288 -8.018 0.675 1.00 7.66 C ATOM 1233 O PHE B 33 -25.556 -7.035 0.527 1.00 8.14 O ATOM 1234 CB PHE B 33 -28.134 -8.179 -1.006 1.00 9.39 C ATOM 1235 CG PHE B 33 -27.627 -9.495 -1.509 1.00 9.41 C ATOM 1236 CD1 PHE B 33 -26.463 -9.556 -2.249 1.00 9.07 C ATOM 1237 CD2 PHE B 33 -28.290 -10.670 -1.196 1.00 12.46 C ATOM 1238 CE1 PHE B 33 -25.981 -10.777 -2.699 1.00 11.76 C ATOM 1239 CE2 PHE B 33 -27.812 -11.889 -1.642 1.00 14.41 C ATOM 1240 CZ PHE B 33 -26.665 -11.937 -2.392 1.00 12.13 C ATOM 1241 H PHE B 33 -27.503 -5.818 0.894 1.00 0.00 H ATOM 1242 N GLU B 34 -25.831 -9.222 0.999 1.00 7.45 N ATOM 1243 CA GLU B 34 -24.407 -9.472 1.094 1.00 6.92 C ATOM 1244 C GLU B 34 -24.146 -10.880 0.590 1.00 6.35 C ATOM 1245 O GLU B 34 -24.983 -11.771 0.756 1.00 7.77 O ATOM 1246 CB GLU B 34 -23.906 -9.319 2.546 1.00 7.99 C ATOM 1247 CG GLU B 34 -22.398 -9.385 2.689 1.00 9.14 C ATOM 1248 CD GLU B 34 -21.893 -8.934 4.061 1.00 9.30 C ATOM 1249 OE1 GLU B 34 -22.721 -8.591 4.935 1.00 12.68 O ATOM 1250 OE2 GLU B 34 -20.657 -8.920 4.255 1.00 11.52 O ATOM 1251 H GLU B 34 -26.502 -9.994 1.187 1.00 0.00 H ATOM 1252 N ASP B 35 -22.981 -11.080 -0.007 1.00 7.45 N ATOM 1253 CA ASP B 35 -22.489 -12.435 -0.245 1.00 7.39 C ATOM 1254 C ASP B 35 -20.999 -12.445 0.067 1.00 8.06 C ATOM 1255 O ASP B 35 -20.491 -11.556 0.760 1.00 8.78 O ATOM 1256 CB ASP B 35 -22.948 -13.010 -1.602 1.00 7.96 C ATOM 1257 CG ASP B 35 -22.371 -12.287 -2.799 1.00 9.43 C ATOM 1258 OD1 ASP B 35 -21.345 -11.586 -2.667 1.00 8.66 O ATOM 1259 OD2 ASP B 35 -22.957 -12.464 -3.899 1.00 10.82 O ATOM 1260 H ASP B 35 -22.411 -10.265 -0.309 1.00 0.00 H ATOM 1261 N ASP B 36 -20.285 -13.454 -0.424 1.00 7.97 N ATOM 1262 CA ASP B 36 -18.861 -13.553 -0.140 1.00 8.36 C ATOM 1263 C ASP B 36 -18.028 -12.546 -0.918 1.00 9.84 C ATOM 1264 O ASP B 36 -16.848 -12.371 -0.596 1.00 10.99 O ATOM 1265 CB ASP B 36 -18.358 -14.979 -0.415 1.00 8.87 C ATOM 1266 CG ASP B 36 -18.518 -15.392 -1.868 1.00 10.25 C ATOM 1267 OD1 ASP B 36 -19.300 -14.756 -2.616 1.00 10.93 O ATOM 1268 OD2 ASP B 36 -17.852 -16.373 -2.275 1.00 11.47 O ATOM 1269 H ASP B 36 -20.746 -14.176 -1.014 1.00 0.00 H ATOM 1270 N ARG B 37 -18.594 -11.895 -1.934 1.00 7.99 N ATOM 1271 CA ARG B 37 -17.790 -11.068 -2.823 1.00 8.06 C ATOM 1272 C ARG B 37 -18.360 -9.677 -3.072 1.00 7.29 C ATOM 1273 O ARG B 37 -17.722 -8.890 -3.779 1.00 8.31 O ATOM 1274 CB ARG B 37 -17.532 -11.788 -4.158 1.00 9.74 C ATOM 1275 CG ARG B 37 -18.782 -12.081 -4.948 1.00 9.70 C ATOM 1276 CD ARG B 37 -18.525 -13.186 -5.959 1.00 11.51 C ATOM 1277 NE ARG B 37 -18.307 -14.463 -5.281 1.00 11.03 N ATOM 1278 CZ ARG B 37 -17.867 -15.564 -5.881 1.00 11.01 C ATOM 1279 NH1 ARG B 37 -17.590 -15.540 -7.182 1.00 12.16 N ATOM 1280 NH2 ARG B 37 -17.707 -16.681 -5.182 1.00 11.65 N ATOM 1281 HE ARG B 37 -18.510 -14.513 -4.262 1.00 0.00 H ATOM 1282 HH12 ARG B 37 -17.245 -16.399 -7.656 1.00 0.00 H ATOM 1283 HH11 ARG B 37 -17.718 -14.662 -7.725 1.00 0.00 H ATOM 1284 HH22 ARG B 37 -17.363 -17.543 -5.651 1.00 0.00 H ATOM 1285 HH21 ARG B 37 -17.926 -16.694 -4.165 1.00 0.00 H ATOM 1286 H ARG B 37 -19.618 -11.978 -2.093 1.00 0.00 H ATOM 1287 N CYS B 38 -19.530 -9.351 -2.535 1.00 7.14 N ATOM 1288 CA CYS B 38 -20.070 -8.013 -2.744 1.00 6.56 C ATOM 1289 C CYS B 38 -21.040 -7.680 -1.625 1.00 6.64 C ATOM 1290 O CYS B 38 -21.430 -8.535 -0.821 1.00 7.95 O ATOM 1291 CB CYS B 38 -20.751 -7.886 -4.109 1.00 8.89 C ATOM 1292 SG CYS B 38 -22.354 -8.703 -4.229 1.00 10.29 S ATOM 1293 H CYS B 38 -20.058 -10.046 -1.969 1.00 0.00 H ATOM 1294 N LEU B 39 -21.436 -6.410 -1.596 1.00 7.24 N ATOM 1295 CA LEU B 39 -22.330 -5.889 -0.576 1.00 7.46 C ATOM 1296 C LEU B 39 -23.205 -4.828 -1.228 1.00 6.80 C ATOM 1297 O LEU B 39 -22.705 -3.994 -1.991 1.00 8.36 O ATOM 1298 CB LEU B 39 -21.502 -5.238 0.537 1.00 10.08 C ATOM 1299 CG LEU B 39 -22.262 -4.706 1.748 1.00 9.15 C ATOM 1300 CD1 LEU B 39 -22.851 -5.845 2.553 1.00 9.46 C ATOM 1301 CD2 LEU B 39 -21.349 -3.841 2.611 1.00 13.23 C ATOM 1302 H LEU B 39 -21.091 -5.763 -2.334 1.00 0.00 H ATOM 1303 N ALA B 40 -24.501 -4.854 -0.942 1.00 6.77 N ATOM 1304 CA ALA B 40 -25.436 -3.841 -1.429 1.00 7.40 C ATOM 1305 C ALA B 40 -26.050 -3.131 -0.239 1.00 6.16 C ATOM 1306 O ALA B 40 -26.453 -3.786 0.727 1.00 7.76 O ATOM 1307 CB ALA B 40 -26.548 -4.457 -2.274 1.00 7.57 C ATOM 1308 H ALA B 40 -24.866 -5.626 -0.348 1.00 0.00 H ATOM 1309 N PHE B 41 -26.118 -1.801 -0.307 1.00 7.20 N ATOM 1310 CA PHE B 41 -26.586 -1.011 0.822 1.00 7.37 C ATOM 1311 C PHE B 41 -27.156 0.310 0.325 1.00 6.56 C ATOM 1312 O PHE B 41 -26.774 0.817 -0.736 1.00 6.80 O ATOM 1313 CB PHE B 41 -25.483 -0.780 1.870 1.00 8.13 C ATOM 1314 CG PHE B 41 -24.235 -0.140 1.327 1.00 7.86 C ATOM 1315 CD1 PHE B 41 -24.039 1.228 1.436 1.00 8.56 C ATOM 1316 CD2 PHE B 41 -23.252 -0.909 0.730 1.00 10.55 C ATOM 1317 CE1 PHE B 41 -22.888 1.820 0.941 1.00 9.92 C ATOM 1318 CE2 PHE B 41 -22.100 -0.326 0.229 1.00 10.82 C ATOM 1319 CZ PHE B 41 -21.915 1.038 0.340 1.00 9.42 C ATOM 1320 H PHE B 41 -25.831 -1.319 -1.183 1.00 0.00 H ATOM 1321 N HIS B 42 -28.101 0.857 1.084 1.00 7.27 N ATOM 1322 CA HIS B 42 -28.720 2.111 0.680 1.00 8.58 C ATOM 1323 C HIS B 42 -27.707 3.249 0.747 1.00 8.66 C ATOM 1324 O HIS B 42 -26.880 3.310 1.659 1.00 9.10 O ATOM 1325 CB HIS B 42 -29.925 2.420 1.572 1.00 9.17 C ATOM 1326 CG HIS B 42 -31.068 1.481 1.372 1.00 9.85 C ATOM 1327 ND1 HIS B 42 -31.981 1.636 0.353 1.00 12.24 N ATOM 1328 CD2 HIS B 42 -31.432 0.358 2.037 1.00 11.78 C ATOM 1329 CE1 HIS B 42 -32.863 0.651 0.403 1.00 10.76 C ATOM 1330 NE2 HIS B 42 -32.559 -0.130 1.424 1.00 11.65 N ATOM 1331 H HIS B 42 -28.397 0.390 1.965 1.00 0.00 H ATOM 1332 N ASP B 43 -27.757 4.140 -0.239 1.00 8.27 N ATOM 1333 CA ASP B 43 -26.852 5.282 -0.238 1.00 9.07 C ATOM 1334 C ASP B 43 -27.233 6.253 0.873 1.00 9.25 C ATOM 1335 O ASP B 43 -28.413 6.528 1.106 1.00 11.75 O ATOM 1336 CB ASP B 43 -26.910 5.985 -1.594 1.00 9.93 C ATOM 1337 CG ASP B 43 -25.732 6.896 -1.835 1.00 11.52 C ATOM 1338 OD1 ASP B 43 -24.830 6.496 -2.601 1.00 26.32 O ATOM 1339 OD2 ASP B 43 -25.712 8.013 -1.303 1.00 13.34 O ATOM 1340 H ASP B 43 -28.443 4.022 -1.012 1.00 0.00 H ATOM 1341 N ILE B 44 -26.222 6.785 1.555 1.00 9.37 N ATOM 1342 CA ILE B 44 -26.483 7.724 2.643 1.00 9.18 C ATOM 1343 C ILE B 44 -26.975 9.084 2.148 1.00 11.25 C ATOM 1344 O ILE B 44 -27.568 9.848 2.925 1.00 13.22 O ATOM 1345 CB ILE B 44 -25.245 7.828 3.548 1.00 12.32 C ATOM 1346 CG1 ILE B 44 -25.624 8.488 4.877 1.00 16.03 C ATOM 1347 CG2 ILE B 44 -24.144 8.593 2.846 1.00 14.22 C ATOM 1348 CD1 ILE B 44 -24.576 8.374 5.947 1.00 20.47 C ATOM 1349 H ILE B 44 -25.243 6.531 1.313 1.00 0.00 H ATOM 1350 N SER B 45 -26.745 9.414 0.876 1.00 10.48 N ATOM 1351 CA SER B 45 -27.198 10.666 0.274 1.00 13.24 C ATOM 1352 C SER B 45 -28.074 10.331 -0.932 1.00 11.61 C ATOM 1353 O SER B 45 -27.666 10.517 -2.084 1.00 13.01 O ATOM 1354 CB SER B 45 -26.011 11.537 -0.132 1.00 14.60 C ATOM 1355 OG SER B 45 -25.204 11.846 0.992 1.00 16.24 O ATOM 1356 HG SER B 45 -24.443 12.410 0.705 1.00 0.00 H ATOM 1357 H SER B 45 -26.215 8.745 0.282 1.00 0.00 H ATOM 1358 N PRO B 46 -29.287 9.834 -0.694 1.00 10.90 N ATOM 1359 CA PRO B 46 -30.085 9.288 -1.803 1.00 11.15 C ATOM 1360 C PRO B 46 -30.558 10.363 -2.768 1.00 10.51 C ATOM 1361 O PRO B 46 -30.997 11.446 -2.367 1.00 12.54 O ATOM 1362 CB PRO B 46 -31.263 8.609 -1.095 1.00 13.14 C ATOM 1363 CG PRO B 46 -31.369 9.315 0.223 1.00 12.61 C ATOM 1364 CD PRO B 46 -29.966 9.687 0.604 1.00 12.57 C ATOM 1365 N GLN B 47 -30.484 10.039 -4.056 1.00 10.11 N ATOM 1366 CA GLN B 47 -30.868 10.943 -5.134 1.00 10.24 C ATOM 1367 C GLN B 47 -32.182 10.549 -5.782 1.00 10.18 C ATOM 1368 O GLN B 47 -32.584 11.163 -6.775 1.00 12.20 O ATOM 1369 CB GLN B 47 -29.767 10.978 -6.193 1.00 12.72 C ATOM 1370 CG GLN B 47 -28.422 11.383 -5.635 1.00 14.42 C ATOM 1371 CD GLN B 47 -28.442 12.790 -5.097 1.00 15.44 C ATOM 1372 OE1 GLN B 47 -28.820 13.724 -5.807 1.00 18.12 O ATOM 1373 NE2 GLN B 47 -28.055 12.956 -3.836 1.00 15.83 N ATOM 1374 HE22 GLN B 47 -27.744 12.137 -3.275 1.00 0.00 H ATOM 1375 HE21 GLN B 47 -28.063 13.905 -3.410 1.00 0.00 H ATOM 1376 H GLN B 47 -30.134 9.092 -4.307 1.00 0.00 H ATOM 1377 N ALA B 48 -32.831 9.512 -5.277 1.00 9.86 N ATOM 1378 CA ALA B 48 -34.108 9.032 -5.773 1.00 10.06 C ATOM 1379 C ALA B 48 -34.788 8.313 -4.626 1.00 10.54 C ATOM 1380 O ALA B 48 -34.129 7.982 -3.631 1.00 11.73 O ATOM 1381 CB ALA B 48 -33.908 8.077 -6.964 1.00 10.22 C ATOM 1382 H ALA B 48 -32.399 9.010 -4.475 1.00 0.00 H ATOM 1383 N PRO B 49 -36.097 8.055 -4.724 1.00 11.25 N ATOM 1384 CA PRO B 49 -36.782 7.380 -3.608 1.00 12.13 C ATOM 1385 C PRO B 49 -36.148 6.054 -3.234 1.00 12.09 C ATOM 1386 O PRO B 49 -36.152 5.683 -2.051 1.00 11.90 O ATOM 1387 CB PRO B 49 -38.221 7.228 -4.118 1.00 14.00 C ATOM 1388 CG PRO B 49 -38.394 8.396 -5.056 1.00 14.98 C ATOM 1389 CD PRO B 49 -37.048 8.556 -5.734 1.00 11.18 C ATOM 1390 N THR B 50 -35.584 5.338 -4.204 1.00 10.34 N ATOM 1391 CA THR B 50 -34.698 4.211 -3.946 1.00 11.74 C ATOM 1392 C THR B 50 -33.361 4.518 -4.596 1.00 9.16 C ATOM 1393 O THR B 50 -33.302 4.827 -5.791 1.00 9.70 O ATOM 1394 CB THR B 50 -35.264 2.905 -4.504 1.00 12.34 C ATOM 1395 OG1 THR B 50 -36.479 2.585 -3.812 1.00 14.52 O ATOM 1396 CG2 THR B 50 -34.265 1.763 -4.312 1.00 12.20 C ATOM 1397 HG1 THR B 50 -37.134 3.315 -3.943 1.00 0.00 H ATOM 1398 H THR B 50 -35.785 5.595 -5.191 1.00 0.00 H ATOM 1399 N HIS B 51 -32.295 4.446 -3.809 1.00 7.69 N ATOM 1400 CA HIS B 51 -30.951 4.689 -4.318 1.00 7.69 C ATOM 1401 C HIS B 51 -30.018 3.852 -3.460 1.00 7.56 C ATOM 1402 O HIS B 51 -29.839 4.141 -2.271 1.00 7.63 O ATOM 1403 CB HIS B 51 -30.604 6.174 -4.242 1.00 7.88 C ATOM 1404 CG HIS B 51 -29.228 6.509 -4.728 1.00 7.28 C ATOM 1405 ND1 HIS B 51 -28.728 7.791 -4.681 1.00 9.25 N ATOM 1406 CD2 HIS B 51 -28.258 5.748 -5.294 1.00 7.76 C ATOM 1407 CE1 HIS B 51 -27.500 7.802 -5.171 1.00 8.86 C ATOM 1408 NE2 HIS B 51 -27.190 6.575 -5.553 1.00 7.68 N ATOM 1409 H HIS B 51 -32.422 4.210 -2.804 1.00 0.00 H ATOM 1410 N PHE B 52 -29.447 2.807 -4.044 1.00 7.39 N ATOM 1411 CA PHE B 52 -28.536 1.941 -3.315 1.00 6.29 C ATOM 1412 C PHE B 52 -27.278 1.716 -4.136 1.00 7.02 C ATOM 1413 O PHE B 52 -27.219 2.050 -5.322 1.00 7.41 O ATOM 1414 CB PHE B 52 -29.201 0.621 -2.867 1.00 7.19 C ATOM 1415 CG PHE B 52 -29.633 -0.289 -3.993 1.00 6.60 C ATOM 1416 CD1 PHE B 52 -28.773 -1.268 -4.477 1.00 7.02 C ATOM 1417 CD2 PHE B 52 -30.909 -0.200 -4.532 1.00 7.65 C ATOM 1418 CE1 PHE B 52 -29.177 -2.124 -5.501 1.00 8.35 C ATOM 1419 CE2 PHE B 52 -31.313 -1.062 -5.551 1.00 8.38 C ATOM 1420 CZ PHE B 52 -30.447 -2.024 -6.018 1.00 8.15 C ATOM 1421 H PHE B 52 -29.655 2.604 -5.042 1.00 0.00 H ATOM 1422 N LEU B 53 -26.256 1.189 -3.476 1.00 6.51 N ATOM 1423 CA LEU B 53 -24.976 0.895 -4.086 1.00 6.53 C ATOM 1424 C LEU B 53 -24.722 -0.595 -3.992 1.00 6.11 C ATOM 1425 O LEU B 53 -25.106 -1.243 -3.011 1.00 7.21 O ATOM 1426 CB LEU B 53 -23.837 1.591 -3.345 1.00 7.98 C ATOM 1427 CG LEU B 53 -23.968 3.104 -3.193 1.00 8.43 C ATOM 1428 CD1 LEU B 53 -22.748 3.662 -2.476 1.00 11.50 C ATOM 1429 CD2 LEU B 53 -24.127 3.758 -4.543 1.00 11.25 C ATOM 1430 H LEU B 53 -26.380 0.975 -2.466 1.00 0.00 H ATOM 1431 N VAL B 54 -24.049 -1.134 -5.003 1.00 6.40 N ATOM 1432 CA VAL B 54 -23.502 -2.489 -4.966 1.00 5.87 C ATOM 1433 C VAL B 54 -22.001 -2.360 -5.152 1.00 6.38 C ATOM 1434 O VAL B 54 -21.549 -1.771 -6.143 1.00 7.22 O ATOM 1435 CB VAL B 54 -24.116 -3.406 -6.036 1.00 7.32 C ATOM 1436 CG1 VAL B 54 -23.703 -4.848 -5.768 1.00 7.96 C ATOM 1437 CG2 VAL B 54 -25.629 -3.271 -6.051 1.00 9.43 C ATOM 1438 H VAL B 54 -23.905 -0.565 -5.861 1.00 0.00 H ATOM 1439 N ILE B 55 -21.231 -2.878 -4.200 1.00 6.55 N ATOM 1440 CA ILE B 55 -19.776 -2.751 -4.248 1.00 7.46 C ATOM 1441 C ILE B 55 -19.116 -4.119 -4.143 1.00 6.75 C ATOM 1442 O ILE B 55 -19.644 -5.012 -3.463 1.00 7.58 O ATOM 1443 CB ILE B 55 -19.244 -1.799 -3.164 1.00 6.76 C ATOM 1444 CG1 ILE B 55 -19.365 -2.392 -1.761 1.00 8.55 C ATOM 1445 CG2 ILE B 55 -19.977 -0.468 -3.223 1.00 9.07 C ATOM 1446 CD1 ILE B 55 -18.757 -1.494 -0.702 1.00 9.62 C ATOM 1447 H ILE B 55 -21.673 -3.383 -3.406 1.00 0.00 H ATOM 1448 N PRO B 56 -17.965 -4.318 -4.773 1.00 7.08 N ATOM 1449 CA PRO B 56 -17.212 -5.555 -4.563 1.00 7.42 C ATOM 1450 C PRO B 56 -16.490 -5.469 -3.231 1.00 7.84 C ATOM 1451 O PRO B 56 -16.181 -4.384 -2.736 1.00 8.07 O ATOM 1452 CB PRO B 56 -16.206 -5.541 -5.723 1.00 8.09 C ATOM 1453 CG PRO B 56 -15.961 -4.068 -5.979 1.00 8.32 C ATOM 1454 CD PRO B 56 -17.280 -3.388 -5.690 1.00 7.08 C ATOM 1455 N LYS B 57 -16.255 -6.631 -2.623 1.00 8.15 N ATOM 1456 CA LYS B 57 -15.422 -6.646 -1.428 1.00 9.08 C ATOM 1457 C LYS B 57 -13.953 -6.469 -1.774 1.00 11.43 C ATOM 1458 O LYS B 57 -13.195 -5.908 -0.976 1.00 13.77 O ATOM 1459 CB LYS B 57 -15.685 -7.915 -0.627 1.00 10.78 C ATOM 1460 CG LYS B 57 -17.079 -7.908 -0.072 1.00 10.01 C ATOM 1461 CD LYS B 57 -17.358 -9.074 0.844 1.00 12.24 C ATOM 1462 CE LYS B 57 -18.668 -8.835 1.581 1.00 10.66 C ATOM 1463 NZ LYS B 57 -18.993 -9.979 2.480 1.00 11.44 N ATOM 1464 HZ1 LYS B 57 -19.082 -10.848 1.915 1.00 0.00 H ATOM 1465 HZ2 LYS B 57 -18.233 -10.095 3.180 1.00 0.00 H ATOM 1466 HZ3 LYS B 57 -19.891 -9.789 2.970 1.00 0.00 H ATOM 1467 H LYS B 57 -16.660 -7.513 -2.996 1.00 0.00 H ATOM 1468 N LYS B 58 -13.547 -6.891 -2.966 1.00 10.67 N ATOM 1469 CA LYS B 58 -12.203 -6.613 -3.448 1.00 12.57 C ATOM 1470 C LYS B 58 -12.063 -5.113 -3.683 1.00 12.02 C ATOM 1471 O LYS B 58 -12.937 -4.487 -4.292 1.00 12.95 O ATOM 1472 CB LYS B 58 -11.987 -7.361 -4.761 1.00 13.10 C ATOM 1473 CG LYS B 58 -10.631 -7.141 -5.398 1.00 14.25 C ATOM 1474 CD LYS B 58 -10.517 -7.907 -6.705 1.00 17.56 C ATOM 1475 CE LYS B 58 -9.144 -7.730 -7.335 1.00 25.79 C ATOM 1476 NZ LYS B 58 -9.032 -8.479 -8.620 1.00 26.28 N ATOM 1477 HZ1 LYS B 58 -9.186 -9.492 -8.444 1.00 0.00 H ATOM 1478 HZ2 LYS B 58 -9.749 -8.129 -9.287 1.00 0.00 H ATOM 1479 HZ3 LYS B 58 -8.083 -8.336 -9.022 1.00 0.00 H ATOM 1480 H LYS B 58 -14.203 -7.431 -3.566 1.00 0.00 H ATOM 1481 N HIS B 59 -10.978 -4.521 -3.193 1.00 11.80 N ATOM 1482 CA HIS B 59 -10.818 -3.079 -3.371 1.00 10.72 C ATOM 1483 C HIS B 59 -10.238 -2.788 -4.751 1.00 14.06 C ATOM 1484 O HIS B 59 -9.026 -2.753 -4.955 1.00 19.32 O ATOM 1485 CB HIS B 59 -9.993 -2.438 -2.263 1.00 15.32 C ATOM 1486 CG HIS B 59 -9.967 -0.942 -2.355 1.00 17.81 C ATOM 1487 ND1 HIS B 59 -9.036 -0.162 -1.706 1.00 26.13 N ATOM 1488 CD2 HIS B 59 -10.763 -0.086 -3.042 1.00 17.66 C ATOM 1489 CE1 HIS B 59 -9.260 1.110 -1.986 1.00 23.14 C ATOM 1490 NE2 HIS B 59 -10.302 1.183 -2.795 1.00 18.72 N ATOM 1491 H HIS B 59 -10.255 -5.075 -2.691 1.00 0.00 H ATOM 1492 N ILE B 60 -11.131 -2.574 -5.706 1.00 12.30 N ATOM 1493 CA ILE B 60 -10.806 -1.996 -7.003 1.00 10.28 C ATOM 1494 C ILE B 60 -11.119 -0.512 -6.871 1.00 10.43 C ATOM 1495 O ILE B 60 -12.255 -0.144 -6.552 1.00 11.09 O ATOM 1496 CB ILE B 60 -11.660 -2.639 -8.106 1.00 11.58 C ATOM 1497 CG1 ILE B 60 -11.551 -4.169 -8.059 1.00 13.55 C ATOM 1498 CG2 ILE B 60 -11.274 -2.085 -9.472 1.00 12.48 C ATOM 1499 CD1 ILE B 60 -12.530 -4.862 -8.974 1.00 16.60 C ATOM 1500 H ILE B 60 -12.121 -2.834 -5.519 1.00 0.00 H ATOM 1501 N SER B 61 -10.122 0.345 -7.081 1.00 10.12 N ATOM 1502 CA SER B 61 -10.320 1.759 -6.766 1.00 10.69 C ATOM 1503 C SER B 61 -11.249 2.455 -7.755 1.00 9.84 C ATOM 1504 O SER B 61 -11.944 3.405 -7.382 1.00 9.21 O ATOM 1505 CB SER B 61 -8.977 2.478 -6.704 1.00 12.00 C ATOM 1506 OG SER B 61 -8.353 2.478 -7.977 1.00 16.80 O ATOM 1507 HG SER B 61 -7.484 2.948 -7.917 1.00 0.00 H ATOM 1508 H SER B 61 -9.214 0.013 -7.464 1.00 0.00 H ATOM 1509 N GLN B 62 -11.260 2.022 -9.010 1.00 9.50 N ATOM 1510 CA GLN B 62 -12.069 2.673 -10.029 1.00 9.78 C ATOM 1511 C GLN B 62 -12.131 1.745 -11.227 1.00 9.14 C ATOM 1512 O GLN B 62 -11.251 0.898 -11.425 1.00 10.25 O ATOM 1513 CB GLN B 62 -11.483 4.022 -10.432 1.00 14.10 C ATOM 1514 CG GLN B 62 -10.066 3.927 -10.897 1.00 14.15 C ATOM 1515 CD GLN B 62 -9.262 5.144 -10.518 1.00 19.91 C ATOM 1516 OE1 GLN B 62 -8.507 5.124 -9.546 1.00 26.06 O ATOM 1517 NE2 GLN B 62 -9.412 6.212 -11.283 1.00 17.89 N ATOM 1518 HE22 GLN B 62 -10.062 6.183 -12.095 1.00 0.00 H ATOM 1519 HE21 GLN B 62 -8.880 7.081 -11.073 1.00 0.00 H ATOM 1520 H GLN B 62 -10.678 1.200 -9.270 1.00 0.00 H ATOM 1521 N ILE B 63 -13.187 1.904 -12.023 1.00 8.80 N ATOM 1522 CA ILE B 63 -13.394 0.985 -13.136 1.00 9.20 C ATOM 1523 C ILE B 63 -12.238 1.043 -14.130 1.00 9.37 C ATOM 1524 O ILE B 63 -11.926 0.039 -14.781 1.00 10.50 O ATOM 1525 CB ILE B 63 -14.779 1.218 -13.778 1.00 10.52 C ATOM 1526 CG1 ILE B 63 -15.158 0.080 -14.730 1.00 13.76 C ATOM 1527 CG2 ILE B 63 -14.829 2.547 -14.500 1.00 10.39 C ATOM 1528 CD1 ILE B 63 -15.488 -1.215 -14.038 1.00 15.33 C ATOM 1529 H ILE B 63 -13.860 2.679 -11.852 1.00 0.00 H ATOM 1530 N SER B 64 -11.565 2.191 -14.249 1.00 9.31 N ATOM 1531 CA SER B 64 -10.490 2.305 -15.233 1.00 9.89 C ATOM 1532 C SER B 64 -9.318 1.376 -14.938 1.00 10.81 C ATOM 1533 O SER B 64 -8.524 1.104 -15.844 1.00 13.20 O ATOM 1534 CB SER B 64 -9.990 3.747 -15.339 1.00 11.72 C ATOM 1535 OG SER B 64 -9.444 4.191 -14.109 1.00 11.68 O ATOM 1536 HG SER B 64 -9.129 5.125 -14.207 1.00 0.00 H ATOM 1537 H SER B 64 -11.805 3.001 -13.643 1.00 0.00 H ATOM 1538 N VAL B 65 -9.183 0.883 -13.705 1.00 10.95 N ATOM 1539 CA VAL B 65 -8.086 -0.011 -13.351 1.00 13.60 C ATOM 1540 C VAL B 65 -8.550 -1.448 -13.168 1.00 13.30 C ATOM 1541 O VAL B 65 -7.752 -2.303 -12.769 1.00 15.61 O ATOM 1542 CB VAL B 65 -7.273 0.481 -12.139 1.00 13.79 C ATOM 1543 CG1 VAL B 65 -6.767 1.891 -12.378 1.00 16.70 C ATOM 1544 CG2 VAL B 65 -8.094 0.403 -10.863 1.00 15.95 C ATOM 1545 H VAL B 65 -9.879 1.143 -12.977 1.00 0.00 H ATOM 1546 N ALA B 66 -9.817 -1.743 -13.448 1.00 11.93 N ATOM 1547 CA ALA B 66 -10.284 -3.122 -13.367 1.00 11.73 C ATOM 1548 C ALA B 66 -9.560 -3.994 -14.388 1.00 17.15 C ATOM 1549 O ALA B 66 -9.263 -3.558 -15.505 1.00 16.07 O ATOM 1550 CB ALA B 66 -11.792 -3.191 -13.612 1.00 14.37 C ATOM 1551 H ALA B 66 -10.476 -0.988 -13.725 1.00 0.00 H ATOM 1552 N GLU B 67 -9.276 -5.233 -13.998 1.00 19.69 N ATOM 1553 CA GLU B 67 -8.567 -6.182 -14.842 1.00 25.29 C ATOM 1554 C GLU B 67 -9.558 -7.067 -15.591 1.00 25.03 C ATOM 1555 O GLU B 67 -10.739 -7.153 -15.246 1.00 22.82 O ATOM 1556 CB GLU B 67 -7.641 -7.061 -13.997 1.00 30.58 C ATOM 1557 CG GLU B 67 -6.885 -6.315 -12.910 1.00 34.45 C ATOM 1558 CD GLU B 67 -5.999 -7.230 -12.088 1.00 44.31 C ATOM 1559 OE1 GLU B 67 -5.169 -7.950 -12.685 1.00 50.83 O ATOM 1560 OE2 GLU B 67 -6.138 -7.237 -10.846 1.00 44.81 O ATOM 1561 H GLU B 67 -9.574 -5.537 -13.049 1.00 0.00 H ATOM 1562 N ASP B 68 -9.055 -7.735 -16.633 1.00 23.12 N ATOM 1563 CA ASP B 68 -9.896 -8.662 -17.386 1.00 21.19 C ATOM 1564 C ASP B 68 -10.432 -9.776 -16.492 1.00 17.03 C ATOM 1565 O ASP B 68 -11.573 -10.223 -16.662 1.00 20.22 O ATOM 1566 CB ASP B 68 -9.116 -9.240 -18.570 1.00 24.50 C ATOM 1567 CG ASP B 68 -8.733 -8.182 -19.595 1.00 33.93 C ATOM 1568 OD1 ASP B 68 -8.550 -7.005 -19.212 1.00 33.27 O ATOM 1569 OD2 ASP B 68 -8.612 -8.532 -20.788 1.00 38.05 O ATOM 1570 H ASP B 68 -8.062 -7.595 -16.909 1.00 0.00 H ATOM 1571 N ASP B 69 -9.627 -10.230 -15.531 1.00 17.45 N ATOM 1572 CA ASP B 69 -10.064 -11.273 -14.611 1.00 21.19 C ATOM 1573 C ASP B 69 -11.210 -10.827 -13.713 1.00 19.80 C ATOM 1574 O ASP B 69 -11.837 -11.677 -13.075 1.00 19.94 O ATOM 1575 CB ASP B 69 -8.890 -11.749 -13.755 1.00 25.26 C ATOM 1576 CG ASP B 69 -7.831 -12.474 -14.566 1.00 36.22 C ATOM 1577 OD1 ASP B 69 -6.685 -12.585 -14.080 1.00 46.53 O ATOM 1578 OD2 ASP B 69 -8.143 -12.931 -15.687 1.00 37.04 O ATOM 1579 H ASP B 69 -8.670 -9.833 -15.436 1.00 0.00 H ATOM 1580 N ASP B 70 -11.494 -9.526 -13.656 1.00 16.63 N ATOM 1581 CA ASP B 70 -12.587 -8.973 -12.865 1.00 13.86 C ATOM 1582 C ASP B 70 -13.921 -8.980 -13.593 1.00 14.12 C ATOM 1583 O ASP B 70 -14.911 -8.517 -13.018 1.00 12.36 O ATOM 1584 CB ASP B 70 -12.281 -7.516 -12.498 1.00 19.99 C ATOM 1585 CG ASP B 70 -11.122 -7.380 -11.538 1.00 21.32 C ATOM 1586 OD1 ASP B 70 -11.004 -8.215 -10.615 1.00 22.08 O ATOM 1587 OD2 ASP B 70 -10.333 -6.423 -11.704 1.00 27.10 O ATOM 1588 H ASP B 70 -10.904 -8.869 -14.206 1.00 0.00 H ATOM 1589 N GLU B 71 -13.982 -9.472 -14.837 1.00 13.51 N ATOM 1590 CA GLU B 71 -15.205 -9.347 -15.626 1.00 14.80 C ATOM 1591 C GLU B 71 -16.396 -9.993 -14.930 1.00 14.10 C ATOM 1592 O GLU B 71 -17.485 -9.412 -14.868 1.00 14.22 O ATOM 1593 CB GLU B 71 -15.005 -9.953 -17.013 1.00 17.63 C ATOM 1594 CG GLU B 71 -14.249 -9.042 -17.934 1.00 19.85 C ATOM 1595 CD GLU B 71 -14.256 -9.507 -19.365 1.00 14.51 C ATOM 1596 OE1 GLU B 71 -14.696 -10.647 -19.632 1.00 20.79 O ATOM 1597 OE2 GLU B 71 -13.822 -8.709 -20.218 1.00 10.83 O ATOM 1598 H GLU B 71 -13.152 -9.947 -15.245 1.00 0.00 H ATOM 1599 N SER B 72 -16.213 -11.202 -14.404 1.00 12.72 N ATOM 1600 CA SER B 72 -17.336 -11.889 -13.775 1.00 13.28 C ATOM 1601 C SER B 72 -17.791 -11.154 -12.524 1.00 10.83 C ATOM 1602 O SER B 72 -18.994 -11.055 -12.258 1.00 11.82 O ATOM 1603 CB SER B 72 -16.965 -13.339 -13.457 1.00 15.93 C ATOM 1604 OG SER B 72 -16.781 -14.084 -14.648 1.00 22.17 O ATOM 1605 HG SER B 72 -16.053 -13.677 -15.181 1.00 0.00 H ATOM 1606 H SER B 72 -15.277 -11.653 -14.441 1.00 0.00 H ATOM 1607 N LEU B 73 -16.841 -10.630 -11.755 1.00 10.55 N ATOM 1608 CA LEU B 73 -17.169 -9.876 -10.552 1.00 9.92 C ATOM 1609 C LEU B 73 -17.968 -8.623 -10.887 1.00 10.41 C ATOM 1610 O LEU B 73 -18.968 -8.316 -10.227 1.00 10.73 O ATOM 1611 CB LEU B 73 -15.880 -9.508 -9.831 1.00 11.60 C ATOM 1612 CG LEU B 73 -16.063 -8.671 -8.570 1.00 11.23 C ATOM 1613 CD1 LEU B 73 -16.907 -9.420 -7.544 1.00 14.71 C ATOM 1614 CD2 LEU B 73 -14.698 -8.319 -8.011 1.00 14.95 C ATOM 1615 H LEU B 73 -15.843 -10.761 -12.018 1.00 0.00 H ATOM 1616 N LEU B 74 -17.533 -7.874 -11.905 1.00 8.46 N ATOM 1617 CA LEU B 74 -18.267 -6.674 -12.295 1.00 8.61 C ATOM 1618 C LEU B 74 -19.669 -7.024 -12.765 1.00 8.53 C ATOM 1619 O LEU B 74 -20.644 -6.355 -12.401 1.00 9.06 O ATOM 1620 CB LEU B 74 -17.493 -5.920 -13.374 1.00 10.94 C ATOM 1621 CG LEU B 74 -16.145 -5.355 -12.945 1.00 10.64 C ATOM 1622 CD1 LEU B 74 -15.405 -4.832 -14.175 1.00 13.67 C ATOM 1623 CD2 LEU B 74 -16.315 -4.248 -11.903 1.00 14.26 C ATOM 1624 H LEU B 74 -16.671 -8.146 -12.419 1.00 0.00 H ATOM 1625 N GLY B 75 -19.798 -8.085 -13.564 1.00 8.30 N ATOM 1626 CA GLY B 75 -21.123 -8.513 -13.972 1.00 9.63 C ATOM 1627 C GLY B 75 -21.967 -8.965 -12.802 1.00 7.73 C ATOM 1628 O GLY B 75 -23.183 -8.769 -12.799 1.00 8.94 O ATOM 1629 H GLY B 75 -18.956 -8.601 -13.891 1.00 0.00 H ATOM 1630 N HIS B 76 -21.334 -9.589 -11.801 1.00 9.59 N ATOM 1631 CA HIS B 76 -22.037 -9.988 -10.586 1.00 8.03 C ATOM 1632 C HIS B 76 -22.650 -8.784 -9.884 1.00 9.10 C ATOM 1633 O HIS B 76 -23.768 -8.866 -9.367 1.00 9.39 O ATOM 1634 CB HIS B 76 -21.069 -10.729 -9.662 1.00 11.84 C ATOM 1635 CG HIS B 76 -21.719 -11.342 -8.461 1.00 10.42 C ATOM 1636 ND1 HIS B 76 -22.569 -12.424 -8.545 1.00 13.25 N ATOM 1637 CD2 HIS B 76 -21.647 -11.023 -7.147 1.00 10.07 C ATOM 1638 CE1 HIS B 76 -22.986 -12.752 -7.334 1.00 12.64 C ATOM 1639 NE2 HIS B 76 -22.435 -11.923 -6.469 1.00 11.06 N ATOM 1640 H HIS B 76 -20.318 -9.794 -11.891 1.00 0.00 H ATOM 1641 N LEU B 77 -21.942 -7.653 -9.864 1.00 8.18 N ATOM 1642 CA LEU B 77 -22.510 -6.452 -9.259 1.00 9.18 C ATOM 1643 C LEU B 77 -23.806 -6.058 -9.949 1.00 8.80 C ATOM 1644 O LEU B 77 -24.773 -5.652 -9.291 1.00 9.15 O ATOM 1645 CB LEU B 77 -21.519 -5.295 -9.335 1.00 9.60 C ATOM 1646 CG LEU B 77 -20.133 -5.496 -8.731 1.00 10.04 C ATOM 1647 CD1 LEU B 77 -19.335 -4.227 -8.926 1.00 13.79 C ATOM 1648 CD2 LEU B 77 -20.196 -5.856 -7.250 1.00 12.93 C ATOM 1649 H LEU B 77 -20.988 -7.627 -10.278 1.00 0.00 H ATOM 1650 N MET B 78 -23.843 -6.168 -11.282 1.00 8.97 N ATOM 1651 CA MET B 78 -25.038 -5.789 -12.023 1.00 9.44 C ATOM 1652 C MET B 78 -26.176 -6.771 -11.798 1.00 7.83 C ATOM 1653 O MET B 78 -27.339 -6.366 -11.713 1.00 8.77 O ATOM 1654 CB MET B 78 -24.709 -5.697 -13.506 1.00 10.31 C ATOM 1655 CG MET B 78 -23.675 -4.640 -13.824 1.00 13.32 C ATOM 1656 SD MET B 78 -23.516 -4.377 -15.584 1.00 23.11 S ATOM 1657 CE MET B 78 -25.212 -4.222 -15.999 1.00 13.89 C ATOM 1658 H MET B 78 -23.011 -6.527 -11.793 1.00 0.00 H ATOM 1659 N ILE B 79 -25.868 -8.069 -11.737 1.00 7.89 N ATOM 1660 CA ILE B 79 -26.912 -9.052 -11.465 1.00 8.89 C ATOM 1661 C ILE B 79 -27.466 -8.872 -10.053 1.00 8.14 C ATOM 1662 O ILE B 79 -28.684 -8.901 -9.842 1.00 9.11 O ATOM 1663 CB ILE B 79 -26.397 -10.480 -11.721 1.00 8.54 C ATOM 1664 CG1 ILE B 79 -26.122 -10.685 -13.215 1.00 11.82 C ATOM 1665 CG2 ILE B 79 -27.397 -11.517 -11.198 1.00 12.25 C ATOM 1666 CD1 ILE B 79 -27.347 -10.528 -14.100 1.00 13.42 C ATOM 1667 H ILE B 79 -24.886 -8.379 -11.883 1.00 0.00 H ATOM 1668 N VAL B 80 -26.583 -8.676 -9.067 1.00 8.31 N ATOM 1669 CA VAL B 80 -27.046 -8.381 -7.713 1.00 9.90 C ATOM 1670 C VAL B 80 -27.881 -7.108 -7.710 1.00 9.87 C ATOM 1671 O VAL B 80 -28.952 -7.046 -7.091 1.00 10.19 O ATOM 1672 CB VAL B 80 -25.847 -8.296 -6.751 1.00 9.67 C ATOM 1673 CG1 VAL B 80 -26.271 -7.719 -5.400 1.00 9.17 C ATOM 1674 CG2 VAL B 80 -25.228 -9.681 -6.565 1.00 11.12 C ATOM 1675 H VAL B 80 -25.564 -8.734 -9.265 1.00 0.00 H ATOM 1676 N GLY B 81 -27.428 -6.092 -8.444 1.00 8.56 N ATOM 1677 CA GLY B 81 -28.182 -4.851 -8.514 1.00 10.55 C ATOM 1678 C GLY B 81 -29.582 -5.047 -9.064 1.00 8.58 C ATOM 1679 O GLY B 81 -30.560 -4.549 -8.504 1.00 9.30 O ATOM 1680 H GLY B 81 -26.534 -6.187 -8.967 1.00 0.00 H ATOM 1681 N LYS B 82 -29.705 -5.788 -10.168 1.00 9.17 N ATOM 1682 CA LYS B 82 -31.044 -5.951 -10.723 1.00 9.44 C ATOM 1683 C LYS B 82 -31.924 -6.833 -9.838 1.00 8.54 C ATOM 1684 O LYS B 82 -33.131 -6.593 -9.744 1.00 10.82 O ATOM 1685 CB LYS B 82 -31.001 -6.390 -12.189 1.00 16.91 C ATOM 1686 CG LYS B 82 -30.616 -7.819 -12.418 1.00 14.11 C ATOM 1687 CD LYS B 82 -31.843 -8.700 -12.558 1.00 18.04 C ATOM 1688 CE LYS B 82 -31.456 -10.099 -12.974 1.00 20.94 C ATOM 1689 NZ LYS B 82 -32.646 -10.988 -13.055 1.00 25.32 N ATOM 1690 HZ1 LYS B 82 -33.106 -11.035 -12.124 1.00 0.00 H ATOM 1691 HZ2 LYS B 82 -33.315 -10.607 -13.755 1.00 0.00 H ATOM 1692 HZ3 LYS B 82 -32.346 -11.941 -13.343 1.00 0.00 H ATOM 1693 H LYS B 82 -28.878 -6.232 -10.615 1.00 0.00 H ATOM 1694 N LYS B 83 -31.346 -7.828 -9.164 1.00 10.28 N ATOM 1695 CA LYS B 83 -32.140 -8.629 -8.233 1.00 11.76 C ATOM 1696 C LYS B 83 -32.586 -7.808 -7.030 1.00 11.73 C ATOM 1697 O LYS B 83 -33.736 -7.926 -6.585 1.00 12.90 O ATOM 1698 CB LYS B 83 -31.353 -9.857 -7.788 1.00 12.71 C ATOM 1699 CG LYS B 83 -31.202 -10.892 -8.887 1.00 13.81 C ATOM 1700 CD LYS B 83 -30.357 -12.063 -8.430 1.00 16.54 C ATOM 1701 CE LYS B 83 -30.263 -13.117 -9.516 1.00 19.16 C ATOM 1702 NZ LYS B 83 -29.539 -14.312 -9.015 1.00 22.39 N ATOM 1703 HZ1 LYS B 83 -28.579 -14.038 -8.724 1.00 0.00 H ATOM 1704 HZ2 LYS B 83 -30.049 -14.709 -8.200 1.00 0.00 H ATOM 1705 HZ3 LYS B 83 -29.483 -15.024 -9.771 1.00 0.00 H ATOM 1706 H LYS B 83 -30.336 -8.033 -9.300 1.00 0.00 H ATOM 1707 N CYS B 84 -31.699 -6.959 -6.497 1.00 10.56 N ATOM 1708 CA CYS B 84 -32.081 -6.089 -5.387 1.00 10.84 C ATOM 1709 C CYS B 84 -33.147 -5.096 -5.820 1.00 10.69 C ATOM 1710 O CYS B 84 -34.076 -4.803 -5.057 1.00 11.11 O ATOM 1711 CB CYS B 84 -30.863 -5.352 -4.826 1.00 10.82 C ATOM 1712 SG CYS B 84 -29.720 -6.392 -3.900 1.00 12.48 S ATOM 1713 H CYS B 84 -30.731 -6.918 -6.876 1.00 0.00 H ATOM 1714 N ALA B 85 -33.036 -4.572 -7.049 1.00 9.13 N ATOM 1715 CA ALA B 85 -34.045 -3.640 -7.544 1.00 10.49 C ATOM 1716 C ALA B 85 -35.421 -4.290 -7.577 1.00 12.20 C ATOM 1717 O ALA B 85 -36.414 -3.673 -7.174 1.00 12.78 O ATOM 1718 CB ALA B 85 -33.655 -3.105 -8.923 1.00 10.42 C ATOM 1719 H ALA B 85 -32.229 -4.830 -7.652 1.00 0.00 H ATOM 1720 N ALA B 86 -35.499 -5.533 -8.063 1.00 12.98 N ATOM 1721 CA ALA B 86 -36.776 -6.238 -8.067 1.00 13.23 C ATOM 1722 C ALA B 86 -37.276 -6.474 -6.649 1.00 15.06 C ATOM 1723 O ALA B 86 -38.461 -6.269 -6.363 1.00 18.00 O ATOM 1724 CB ALA B 86 -36.644 -7.557 -8.826 1.00 16.30 C ATOM 1725 H ALA B 86 -34.648 -5.998 -8.439 1.00 0.00 H ATOM 1726 N ASP B 87 -36.382 -6.874 -5.741 1.00 12.86 N ATOM 1727 CA ASP B 87 -36.782 -7.107 -4.355 1.00 17.37 C ATOM 1728 C ASP B 87 -37.285 -5.833 -3.689 1.00 16.24 C ATOM 1729 O ASP B 87 -38.143 -5.893 -2.798 1.00 19.97 O ATOM 1730 CB ASP B 87 -35.612 -7.688 -3.558 1.00 18.08 C ATOM 1731 CG ASP B 87 -35.360 -9.153 -3.864 1.00 32.46 C ATOM 1732 OD1 ASP B 87 -34.215 -9.613 -3.658 1.00 36.91 O ATOM 1733 OD2 ASP B 87 -36.301 -9.847 -4.306 1.00 36.79 O ATOM 1734 H ASP B 87 -35.392 -7.021 -6.023 1.00 0.00 H ATOM 1735 N LEU B 88 -36.764 -4.678 -4.093 1.00 13.81 N ATOM 1736 CA LEU B 88 -37.182 -3.399 -3.542 1.00 14.30 C ATOM 1737 C LEU B 88 -38.372 -2.805 -4.286 1.00 15.28 C ATOM 1738 O LEU B 88 -38.748 -1.659 -4.019 1.00 18.16 O ATOM 1739 CB LEU B 88 -36.002 -2.424 -3.524 1.00 13.22 C ATOM 1740 CG LEU B 88 -34.891 -2.768 -2.529 1.00 13.28 C ATOM 1741 CD1 LEU B 88 -33.656 -1.925 -2.798 1.00 17.44 C ATOM 1742 CD2 LEU B 88 -35.355 -2.586 -1.088 1.00 17.09 C ATOM 1743 H LEU B 88 -36.031 -4.690 -4.830 1.00 0.00 H ATOM 1744 N GLY B 89 -38.956 -3.551 -5.221 1.00 14.94 N ATOM 1745 CA GLY B 89 -40.194 -3.140 -5.854 1.00 17.22 C ATOM 1746 C GLY B 89 -40.062 -2.163 -6.998 1.00 17.54 C ATOM 1747 O GLY B 89 -41.028 -1.457 -7.302 1.00 18.08 O ATOM 1748 H GLY B 89 -38.514 -4.449 -5.504 1.00 0.00 H ATOM 1749 N LEU B 90 -38.902 -2.096 -7.651 1.00 16.33 N ATOM 1750 CA LEU B 90 -38.690 -1.141 -8.739 1.00 16.08 C ATOM 1751 C LEU B 90 -39.198 -1.712 -10.067 1.00 17.05 C ATOM 1752 O LEU B 90 -38.465 -1.861 -11.047 1.00 17.69 O ATOM 1753 CB LEU B 90 -37.224 -0.734 -8.812 1.00 13.81 C ATOM 1754 CG LEU B 90 -36.655 -0.118 -7.531 1.00 14.58 C ATOM 1755 CD1 LEU B 90 -35.210 0.335 -7.746 1.00 13.68 C ATOM 1756 CD2 LEU B 90 -37.521 1.038 -7.046 1.00 15.96 C ATOM 1757 H LEU B 90 -38.129 -2.738 -7.381 1.00 0.00 H ATOM 1758 N ASN B 91 -40.501 -1.999 -10.094 1.00 16.29 N ATOM 1759 CA ASN B 91 -41.126 -2.635 -11.249 1.00 17.54 C ATOM 1760 C ASN B 91 -41.354 -1.689 -12.423 1.00 15.59 C ATOM 1761 O ASN B 91 -41.670 -2.162 -13.520 1.00 20.50 O ATOM 1762 CB ASN B 91 -42.441 -3.327 -10.857 1.00 18.36 C ATOM 1763 CG ASN B 91 -43.367 -2.427 -10.058 1.00 26.22 C ATOM 1764 OD1 ASN B 91 -43.396 -1.213 -10.245 1.00 31.51 O ATOM 1765 ND2 ASN B 91 -44.135 -3.027 -9.155 1.00 38.45 N ATOM 1766 HD22 ASN B 91 -44.080 -4.058 -9.028 1.00 0.00 H ATOM 1767 HD21 ASN B 91 -44.791 -2.466 -8.575 1.00 0.00 H ATOM 1768 H ASN B 91 -41.088 -1.763 -9.268 1.00 0.00 H ATOM 1769 N LYS B 92 -41.218 -0.384 -12.230 1.00 14.59 N ATOM 1770 CA LYS B 92 -41.349 0.564 -13.328 1.00 15.64 C ATOM 1771 C LYS B 92 -40.016 0.898 -13.983 1.00 15.08 C ATOM 1772 O LYS B 92 -39.998 1.622 -14.983 1.00 15.35 O ATOM 1773 CB LYS B 92 -42.027 1.851 -12.850 1.00 17.75 C ATOM 1774 H LYS B 92 -41.013 -0.030 -11.274 1.00 0.00 H ATOM 1775 N GLY B 93 -38.913 0.390 -13.460 1.00 12.99 N ATOM 1776 CA GLY B 93 -37.606 0.627 -14.031 1.00 12.37 C ATOM 1777 C GLY B 93 -36.677 1.326 -13.060 1.00 10.58 C ATOM 1778 O GLY B 93 -37.022 1.625 -11.915 1.00 10.78 O ATOM 1779 H GLY B 93 -38.988 -0.201 -12.608 1.00 0.00 H ATOM 1780 N TYR B 94 -35.470 1.587 -13.549 1.00 10.96 N ATOM 1781 CA TYR B 94 -34.402 2.133 -12.721 1.00 9.75 C ATOM 1782 C TYR B 94 -33.237 2.481 -13.635 1.00 8.89 C ATOM 1783 O TYR B 94 -33.266 2.217 -14.842 1.00 8.72 O ATOM 1784 CB TYR B 94 -33.999 1.168 -11.596 1.00 9.88 C ATOM 1785 CG TYR B 94 -33.753 -0.255 -12.034 1.00 9.64 C ATOM 1786 CD1 TYR B 94 -32.519 -0.651 -12.535 1.00 10.17 C ATOM 1787 CD2 TYR B 94 -34.748 -1.216 -11.914 1.00 10.90 C ATOM 1788 CE1 TYR B 94 -32.290 -1.952 -12.920 1.00 10.95 C ATOM 1789 CE2 TYR B 94 -34.529 -2.521 -12.300 1.00 11.20 C ATOM 1790 CZ TYR B 94 -33.295 -2.886 -12.797 1.00 10.22 C ATOM 1791 OH TYR B 94 -33.079 -4.197 -13.177 1.00 12.95 O ATOM 1792 HH TYR B 94 -33.216 -4.792 -12.398 1.00 0.00 H ATOM 1793 H TYR B 94 -35.281 1.396 -14.554 1.00 0.00 H ATOM 1794 N ARG B 95 -32.209 3.084 -13.049 1.00 7.42 N ATOM 1795 CA ARG B 95 -30.977 3.420 -13.745 1.00 7.00 C ATOM 1796 C ARG B 95 -29.798 2.902 -12.942 1.00 7.18 C ATOM 1797 O ARG B 95 -29.768 3.036 -11.713 1.00 8.10 O ATOM 1798 CB ARG B 95 -30.852 4.935 -13.925 1.00 8.05 C ATOM 1799 CG ARG B 95 -29.485 5.388 -14.427 1.00 7.49 C ATOM 1800 CD ARG B 95 -29.515 6.831 -14.905 1.00 7.51 C ATOM 1801 NE ARG B 95 -30.424 6.951 -16.034 1.00 8.86 N ATOM 1802 CZ ARG B 95 -31.061 8.057 -16.395 1.00 7.65 C ATOM 1803 NH1 ARG B 95 -30.886 9.184 -15.725 1.00 8.38 N ATOM 1804 NH2 ARG B 95 -31.891 8.028 -17.420 1.00 8.87 N ATOM 1805 HE ARG B 95 -30.588 6.098 -16.606 1.00 0.00 H ATOM 1806 HH12 ARG B 95 -31.390 10.046 -16.016 1.00 0.00 H ATOM 1807 HH11 ARG B 95 -30.244 9.208 -14.907 1.00 0.00 H ATOM 1808 HH22 ARG B 95 -32.393 8.892 -17.707 1.00 0.00 H ATOM 1809 HH21 ARG B 95 -32.043 7.141 -17.941 1.00 0.00 H ATOM 1810 H ARG B 95 -32.289 3.328 -12.041 1.00 0.00 H ATOM 1811 N MET B 96 -28.831 2.322 -13.635 1.00 6.95 N ATOM 1812 CA MET B 96 -27.565 1.910 -13.045 1.00 6.96 C ATOM 1813 C MET B 96 -26.467 2.849 -13.502 1.00 6.21 C ATOM 1814 O MET B 96 -26.434 3.248 -14.672 1.00 6.34 O ATOM 1815 CB MET B 96 -27.195 0.499 -13.484 1.00 6.82 C ATOM 1816 CG MET B 96 -28.089 -0.551 -12.877 1.00 8.70 C ATOM 1817 SD MET B 96 -27.677 -2.197 -13.463 1.00 10.63 S ATOM 1818 CE MET B 96 -28.581 -3.202 -12.283 1.00 13.32 C ATOM 1819 H MET B 96 -28.983 2.152 -14.650 1.00 0.00 H ATOM 1820 N VAL B 97 -25.575 3.218 -12.583 1.00 6.44 N ATOM 1821 CA VAL B 97 -24.520 4.186 -12.878 1.00 6.23 C ATOM 1822 C VAL B 97 -23.209 3.737 -12.247 1.00 5.79 C ATOM 1823 O VAL B 97 -23.177 3.338 -11.078 1.00 6.86 O ATOM 1824 CB VAL B 97 -24.883 5.590 -12.350 1.00 6.05 C ATOM 1825 CG1 VAL B 97 -23.758 6.584 -12.647 1.00 8.46 C ATOM 1826 CG2 VAL B 97 -26.215 6.065 -12.915 1.00 9.14 C ATOM 1827 H VAL B 97 -25.631 2.806 -11.630 1.00 0.00 H ATOM 1828 N VAL B 98 -22.119 3.835 -13.007 1.00 6.19 N ATOM 1829 CA VAL B 98 -20.766 3.749 -12.469 1.00 6.50 C ATOM 1830 C VAL B 98 -20.034 5.027 -12.850 1.00 6.25 C ATOM 1831 O VAL B 98 -19.993 5.397 -14.032 1.00 6.95 O ATOM 1832 CB VAL B 98 -20.008 2.517 -12.994 1.00 7.25 C ATOM 1833 CG1 VAL B 98 -18.564 2.518 -12.483 1.00 9.22 C ATOM 1834 CG2 VAL B 98 -20.715 1.238 -12.584 1.00 9.09 C ATOM 1835 H VAL B 98 -22.238 3.979 -14.030 1.00 0.00 H ATOM 1836 N ASN B 99 -19.469 5.710 -11.862 1.00 6.66 N ATOM 1837 CA ASN B 99 -18.728 6.941 -12.104 1.00 6.59 C ATOM 1838 C ASN B 99 -17.234 6.661 -12.097 1.00 6.79 C ATOM 1839 O ASN B 99 -16.736 5.924 -11.240 1.00 7.80 O ATOM 1840 CB ASN B 99 -19.003 7.942 -10.993 1.00 6.81 C ATOM 1841 CG ASN B 99 -20.463 8.318 -10.885 1.00 8.61 C ATOM 1842 OD1 ASN B 99 -21.163 8.467 -11.888 1.00 8.22 O ATOM 1843 ND2 ASN B 99 -20.934 8.481 -9.651 1.00 10.93 N ATOM 1844 HD22 ASN B 99 -20.307 8.345 -8.833 1.00 0.00 H ATOM 1845 HD21 ASN B 99 -21.929 8.745 -9.505 1.00 0.00 H ATOM 1846 H ASN B 99 -19.558 5.357 -10.888 1.00 0.00 H ATOM 1847 N GLU B 100 -16.512 7.286 -13.018 1.00 7.05 N ATOM 1848 CA GLU B 100 -15.062 7.164 -13.085 1.00 7.05 C ATOM 1849 C GLU B 100 -14.423 8.545 -13.024 1.00 7.59 C ATOM 1850 O GLU B 100 -14.663 9.397 -13.891 1.00 6.67 O ATOM 1851 CB GLU B 100 -14.625 6.438 -14.356 1.00 8.17 C ATOM 1852 CG GLU B 100 -13.146 6.642 -14.703 1.00 10.76 C ATOM 1853 CD GLU B 100 -12.205 5.861 -13.814 1.00 11.67 C ATOM 1854 OE1 GLU B 100 -12.608 4.805 -13.296 1.00 12.10 O ATOM 1855 OE2 GLU B 100 -11.040 6.299 -13.650 1.00 15.73 O ATOM 1856 H GLU B 100 -16.998 7.884 -13.716 1.00 0.00 H ATOM 1857 N GLY B 101 -13.597 8.759 -12.014 1.00 7.35 N ATOM 1858 CA GLY B 101 -12.747 9.931 -11.980 1.00 9.73 C ATOM 1859 C GLY B 101 -13.481 11.242 -11.766 1.00 9.11 C ATOM 1860 O GLY B 101 -14.668 11.301 -11.427 1.00 8.97 O ATOM 1861 H GLY B 101 -13.557 8.075 -11.232 1.00 0.00 H ATOM 1862 N SER B 102 -12.740 12.320 -12.037 1.00 9.89 N ATOM 1863 CA SER B 102 -13.229 13.666 -11.754 1.00 10.67 C ATOM 1864 C SER B 102 -14.401 14.032 -12.657 1.00 8.13 C ATOM 1865 O SER B 102 -15.445 14.494 -12.187 1.00 8.51 O ATOM 1866 CB SER B 102 -12.085 14.667 -11.925 1.00 16.22 C ATOM 1867 OG SER B 102 -12.525 15.994 -11.698 1.00 18.15 O ATOM 1868 HG SER B 102 -13.240 16.218 -12.345 1.00 0.00 H ATOM 1869 H SER B 102 -11.797 12.198 -12.458 1.00 0.00 H ATOM 1870 N ASP B 103 -14.245 13.833 -13.973 1.00 9.48 N ATOM 1871 CA ASP B 103 -15.344 14.160 -14.879 1.00 9.02 C ATOM 1872 C ASP B 103 -16.549 13.263 -14.647 1.00 7.98 C ATOM 1873 O ASP B 103 -17.688 13.684 -14.860 1.00 7.43 O ATOM 1874 CB ASP B 103 -14.906 14.048 -16.340 1.00 11.10 C ATOM 1875 CG ASP B 103 -14.356 15.350 -16.899 1.00 12.81 C ATOM 1876 OD1 ASP B 103 -14.316 16.366 -16.169 1.00 14.69 O ATOM 1877 OD2 ASP B 103 -13.966 15.351 -18.089 1.00 13.47 O ATOM 1878 H ASP B 103 -13.352 13.450 -14.345 1.00 0.00 H ATOM 1879 N GLY B 104 -16.320 12.019 -14.229 1.00 7.44 N ATOM 1880 CA GLY B 104 -17.442 11.149 -13.929 1.00 8.44 C ATOM 1881 C GLY B 104 -18.128 11.434 -12.614 1.00 7.63 C ATOM 1882 O GLY B 104 -19.189 10.866 -12.339 1.00 8.95 O ATOM 1883 H GLY B 104 -15.345 11.674 -14.119 1.00 0.00 H ATOM 1884 N GLY B 105 -17.555 12.309 -11.795 1.00 6.70 N ATOM 1885 CA GLY B 105 -18.147 12.628 -10.510 1.00 7.71 C ATOM 1886 C GLY B 105 -17.996 11.535 -9.478 1.00 8.33 C ATOM 1887 O GLY B 105 -18.819 11.447 -8.557 1.00 8.45 O ATOM 1888 H GLY B 105 -16.668 12.772 -12.080 1.00 0.00 H ATOM 1889 N GLN B 106 -16.967 10.698 -9.608 1.00 6.69 N ATOM 1890 CA GLN B 106 -16.772 9.606 -8.669 1.00 6.64 C ATOM 1891 C GLN B 106 -16.484 10.177 -7.286 1.00 8.51 C ATOM 1892 O GLN B 106 -15.563 10.980 -7.117 1.00 9.79 O ATOM 1893 CB GLN B 106 -15.617 8.732 -9.150 1.00 7.71 C ATOM 1894 CG GLN B 106 -15.403 7.530 -8.264 1.00 8.39 C ATOM 1895 CD GLN B 106 -14.362 6.563 -8.786 1.00 8.13 C ATOM 1896 OE1 GLN B 106 -13.714 6.804 -9.811 1.00 8.50 O ATOM 1897 NE2 GLN B 106 -14.218 5.445 -8.092 1.00 8.86 N ATOM 1898 HE22 GLN B 106 -14.786 5.288 -7.235 1.00 0.00 H ATOM 1899 HE21 GLN B 106 -13.536 4.724 -8.403 1.00 0.00 H ATOM 1900 H GLN B 106 -16.295 10.828 -10.391 1.00 0.00 H ATOM 1901 N SER B 107 -17.280 9.772 -6.297 1.00 7.24 N ATOM 1902 CA SER B 107 -17.162 10.331 -4.955 1.00 7.35 C ATOM 1903 C SER B 107 -16.277 9.499 -4.038 1.00 7.38 C ATOM 1904 O SER B 107 -15.660 10.050 -3.118 1.00 8.54 O ATOM 1905 CB SER B 107 -18.547 10.493 -4.324 1.00 8.98 C ATOM 1906 OG SER B 107 -19.329 11.432 -5.042 1.00 9.58 O ATOM 1907 HG SER B 107 -20.217 11.517 -4.613 1.00 0.00 H ATOM 1908 H SER B 107 -17.998 9.044 -6.485 1.00 0.00 H ATOM 1909 N VAL B 108 -16.204 8.188 -4.259 1.00 7.40 N ATOM 1910 CA VAL B 108 -15.419 7.283 -3.420 1.00 7.61 C ATOM 1911 C VAL B 108 -14.584 6.422 -4.351 1.00 6.49 C ATOM 1912 O VAL B 108 -15.120 5.839 -5.300 1.00 7.14 O ATOM 1913 CB VAL B 108 -16.296 6.375 -2.528 1.00 7.74 C ATOM 1914 CG1 VAL B 108 -15.424 5.446 -1.669 1.00 8.38 C ATOM 1915 CG2 VAL B 108 -17.236 7.206 -1.653 1.00 9.10 C ATOM 1916 H VAL B 108 -16.728 7.790 -5.064 1.00 0.00 H ATOM 1917 N TYR B 109 -13.282 6.330 -4.082 1.00 7.84 N ATOM 1918 CA TYR B 109 -12.380 5.527 -4.907 1.00 7.74 C ATOM 1919 C TYR B 109 -12.389 4.058 -4.478 1.00 7.83 C ATOM 1920 O TYR B 109 -11.395 3.462 -4.059 1.00 8.26 O ATOM 1921 CB TYR B 109 -10.994 6.152 -4.980 1.00 11.08 C ATOM 1922 CG TYR B 109 -11.000 7.258 -6.010 1.00 12.22 C ATOM 1923 CD1 TYR B 109 -11.339 8.559 -5.670 1.00 20.10 C ATOM 1924 CD2 TYR B 109 -10.750 6.978 -7.343 1.00 16.88 C ATOM 1925 CE1 TYR B 109 -11.377 9.560 -6.636 1.00 20.99 C ATOM 1926 CE2 TYR B 109 -10.786 7.963 -8.306 1.00 18.32 C ATOM 1927 CZ TYR B 109 -11.104 9.244 -7.951 1.00 15.32 C ATOM 1928 OH TYR B 109 -11.139 10.220 -8.924 1.00 20.15 O ATOM 1929 HH TYR B 109 -11.383 11.087 -8.512 1.00 0.00 H ATOM 1930 H TYR B 109 -12.897 6.843 -3.263 1.00 0.00 H ATOM 1931 N HIS B 110 -13.582 3.493 -4.607 1.00 7.54 N ATOM 1932 CA HIS B 110 -13.851 2.065 -4.472 1.00 6.71 C ATOM 1933 C HIS B 110 -15.003 1.846 -5.439 1.00 7.35 C ATOM 1934 O HIS B 110 -16.052 2.477 -5.282 1.00 8.16 O ATOM 1935 CB HIS B 110 -14.280 1.741 -3.030 1.00 8.16 C ATOM 1936 CG HIS B 110 -14.490 0.280 -2.763 1.00 7.87 C ATOM 1937 ND1 HIS B 110 -13.828 -0.386 -1.754 1.00 9.88 N ATOM 1938 CD2 HIS B 110 -15.304 -0.629 -3.351 1.00 8.51 C ATOM 1939 CE1 HIS B 110 -14.210 -1.653 -1.748 1.00 10.26 C ATOM 1940 NE2 HIS B 110 -15.105 -1.826 -2.703 1.00 8.38 N ATOM 1941 H HIS B 110 -14.387 4.115 -4.821 1.00 0.00 H ATOM 1942 N VAL B 111 -14.804 0.998 -6.452 1.00 6.90 N ATOM 1943 CA VAL B 111 -15.797 0.904 -7.516 1.00 7.33 C ATOM 1944 C VAL B 111 -17.149 0.539 -6.923 1.00 6.23 C ATOM 1945 O VAL B 111 -17.261 -0.352 -6.072 1.00 7.14 O ATOM 1946 CB VAL B 111 -15.342 -0.056 -8.625 1.00 7.52 C ATOM 1947 CG1 VAL B 111 -15.136 -1.452 -8.081 1.00 7.42 C ATOM 1948 CG2 VAL B 111 -16.347 -0.056 -9.773 1.00 11.02 C ATOM 1949 H VAL B 111 -13.947 0.409 -6.482 1.00 0.00 H ATOM 1950 N ASN B 112 -18.179 1.265 -7.341 1.00 6.32 N ATOM 1951 CA ASN B 112 -19.511 1.139 -6.781 1.00 6.45 C ATOM 1952 C ASN B 112 -20.539 1.377 -7.873 1.00 6.93 C ATOM 1953 O ASN B 112 -20.422 2.319 -8.667 1.00 7.92 O ATOM 1954 CB ASN B 112 -19.710 2.061 -5.556 1.00 7.75 C ATOM 1955 CG ASN B 112 -19.618 3.552 -5.881 1.00 7.51 C ATOM 1956 OD1 ASN B 112 -20.640 4.235 -5.966 1.00 9.63 O ATOM 1957 ND2 ASN B 112 -18.399 4.071 -5.975 1.00 6.89 N ATOM 1958 HD22 ASN B 112 -17.564 3.455 -5.897 1.00 0.00 H ATOM 1959 HD21 ASN B 112 -18.279 5.093 -6.126 1.00 0.00 H ATOM 1960 H ASN B 112 -18.024 1.955 -8.104 1.00 0.00 H ATOM 1961 N LEU B 113 -21.514 0.492 -7.934 1.00 6.76 N ATOM 1962 CA LEU B 113 -22.608 0.569 -8.883 1.00 6.58 C ATOM 1963 C LEU B 113 -23.805 1.208 -8.184 1.00 6.99 C ATOM 1964 O LEU B 113 -24.302 0.664 -7.188 1.00 7.61 O ATOM 1965 CB LEU B 113 -22.960 -0.842 -9.352 1.00 7.16 C ATOM 1966 CG LEU B 113 -24.178 -0.941 -10.268 1.00 9.17 C ATOM 1967 CD1 LEU B 113 -23.871 -0.372 -11.635 1.00 10.67 C ATOM 1968 CD2 LEU B 113 -24.643 -2.393 -10.385 1.00 10.52 C ATOM 1969 H LEU B 113 -21.498 -0.305 -7.265 1.00 0.00 H ATOM 1970 N HIS B 114 -24.253 2.357 -8.682 1.00 6.25 N ATOM 1971 CA HIS B 114 -25.463 2.995 -8.180 1.00 5.99 C ATOM 1972 C HIS B 114 -26.674 2.405 -8.877 1.00 6.73 C ATOM 1973 O HIS B 114 -26.653 2.185 -10.090 1.00 7.11 O ATOM 1974 CB HIS B 114 -25.449 4.489 -8.510 1.00 7.19 C ATOM 1975 CG HIS B 114 -24.361 5.254 -7.839 1.00 6.05 C ATOM 1976 ND1 HIS B 114 -24.597 6.096 -6.776 1.00 8.18 N ATOM 1977 CD2 HIS B 114 -23.034 5.330 -8.096 1.00 9.30 C ATOM 1978 CE1 HIS B 114 -23.457 6.643 -6.391 1.00 8.26 C ATOM 1979 NE2 HIS B 114 -22.492 6.193 -7.175 1.00 9.07 N ATOM 1980 H HIS B 114 -23.724 2.814 -9.452 1.00 0.00 H ATOM 1981 N VAL B 115 -27.744 2.177 -8.120 1.00 6.72 N ATOM 1982 CA VAL B 115 -29.039 1.798 -8.667 1.00 7.13 C ATOM 1983 C VAL B 115 -30.066 2.780 -8.126 1.00 6.61 C ATOM 1984 O VAL B 115 -30.222 2.901 -6.903 1.00 7.58 O ATOM 1985 CB VAL B 115 -29.420 0.346 -8.325 1.00 8.12 C ATOM 1986 CG1 VAL B 115 -30.717 -0.028 -9.013 1.00 9.19 C ATOM 1987 CG2 VAL B 115 -28.298 -0.606 -8.712 1.00 9.03 C ATOM 1988 H VAL B 115 -27.651 2.274 -7.089 1.00 0.00 H ATOM 1989 N LEU B 116 -30.741 3.499 -9.025 1.00 7.31 N ATOM 1990 CA LEU B 116 -31.673 4.564 -8.665 1.00 7.54 C ATOM 1991 C LEU B 116 -33.027 4.302 -9.306 1.00 9.36 C ATOM 1992 O LEU B 116 -33.103 3.990 -10.500 1.00 9.19 O ATOM 1993 CB LEU B 116 -31.166 5.938 -9.142 1.00 9.71 C ATOM 1994 CG LEU B 116 -29.745 6.317 -8.729 1.00 8.83 C ATOM 1995 CD1 LEU B 116 -28.741 6.076 -9.861 1.00 11.50 C ATOM 1996 CD2 LEU B 116 -29.707 7.760 -8.275 1.00 13.29 C ATOM 1997 H LEU B 116 -30.596 3.290 -10.033 1.00 0.00 H ATOM 1998 N GLY B 117 -34.091 4.455 -8.530 1.00 9.13 N ATOM 1999 CA GLY B 117 -35.419 4.289 -9.074 1.00 10.50 C ATOM 2000 C GLY B 117 -36.460 4.865 -8.144 1.00 10.18 C ATOM 2001 O GLY B 117 -36.141 5.520 -7.152 1.00 10.69 O ATOM 2002 H GLY B 117 -33.969 4.696 -7.526 1.00 0.00 H ATOM 2003 N GLY B 118 -37.719 4.604 -8.474 1.00 11.45 N ATOM 2004 CA GLY B 118 -38.823 5.142 -7.703 1.00 11.84 C ATOM 2005 C GLY B 118 -39.273 6.507 -8.155 1.00 13.24 C ATOM 2006 O GLY B 118 -40.155 7.104 -7.517 1.00 14.00 O ATOM 2007 H GLY B 118 -37.917 4.003 -9.300 1.00 0.00 H ATOM 2008 N ARG B 119 -38.668 7.034 -9.212 1.00 11.94 N ATOM 2009 CA ARG B 119 -39.106 8.252 -9.868 1.00 13.54 C ATOM 2010 C ARG B 119 -38.646 8.148 -11.308 1.00 12.31 C ATOM 2011 O ARG B 119 -37.836 7.282 -11.653 1.00 12.22 O ATOM 2012 CB ARG B 119 -38.499 9.494 -9.215 1.00 12.48 C ATOM 2013 CG ARG B 119 -36.974 9.586 -9.336 1.00 11.13 C ATOM 2014 CD ARG B 119 -36.514 10.997 -9.002 1.00 13.89 C ATOM 2015 NE ARG B 119 -35.066 11.149 -8.880 1.00 14.22 N ATOM 2016 CZ ARG B 119 -34.253 11.464 -9.883 1.00 12.98 C ATOM 2017 NH1 ARG B 119 -34.730 11.620 -11.112 1.00 12.36 N ATOM 2018 NH2 ARG B 119 -32.953 11.603 -9.660 1.00 12.62 N ATOM 2019 HE ARG B 119 -34.642 11.000 -7.942 1.00 0.00 H ATOM 2020 HH12 ARG B 119 -34.088 11.867 -11.892 1.00 0.00 H ATOM 2021 HH11 ARG B 119 -35.746 11.496 -11.295 1.00 0.00 H ATOM 2022 HH22 ARG B 119 -32.315 11.849 -10.443 1.00 0.00 H ATOM 2023 HH21 ARG B 119 -32.572 11.466 -8.702 1.00 0.00 H ATOM 2024 H ARG B 119 -37.832 6.546 -9.592 1.00 0.00 H ATOM 2025 N GLN B 120 -39.179 9.019 -12.155 1.00 13.28 N ATOM 2026 CA GLN B 120 -38.666 9.122 -13.512 1.00 10.59 C ATOM 2027 C GLN B 120 -37.230 9.613 -13.465 1.00 11.10 C ATOM 2028 O GLN B 120 -36.946 10.666 -12.891 1.00 11.32 O ATOM 2029 CB GLN B 120 -39.513 10.110 -14.314 1.00 12.59 C ATOM 2030 CG GLN B 120 -39.081 10.235 -15.772 1.00 13.86 C ATOM 2031 CD GLN B 120 -39.304 8.949 -16.540 1.00 14.85 C ATOM 2032 OE1 GLN B 120 -40.441 8.501 -16.701 1.00 17.09 O ATOM 2033 NE2 GLN B 120 -38.217 8.324 -16.991 1.00 13.72 N ATOM 2034 HE22 GLN B 120 -37.276 8.738 -16.833 1.00 0.00 H ATOM 2035 HE21 GLN B 120 -38.310 7.422 -17.501 1.00 0.00 H ATOM 2036 H GLN B 120 -39.964 9.628 -11.848 1.00 0.00 H ATOM 2037 N MET B 121 -36.323 8.846 -14.061 1.00 10.62 N ATOM 2038 CA MET B 121 -34.957 9.305 -14.270 1.00 10.02 C ATOM 2039 C MET B 121 -34.895 10.064 -15.589 1.00 11.72 C ATOM 2040 O MET B 121 -35.558 9.694 -16.561 1.00 12.40 O ATOM 2041 CB MET B 121 -33.986 8.120 -14.275 1.00 10.82 C ATOM 2042 CG MET B 121 -34.110 7.231 -13.039 1.00 11.44 C ATOM 2043 SD MET B 121 -33.846 8.084 -11.465 1.00 13.01 S ATOM 2044 CE MET B 121 -32.160 8.658 -11.678 1.00 14.10 C ATOM 2045 H MET B 121 -36.595 7.896 -14.386 1.00 0.00 H ATOM 2046 N HIS B 122 -34.123 11.143 -15.610 1.00 9.33 N ATOM 2047 CA HIS B 122 -34.136 12.075 -16.726 1.00 9.85 C ATOM 2048 C HIS B 122 -32.941 11.849 -17.650 1.00 10.62 C ATOM 2049 O HIS B 122 -32.048 11.045 -17.375 1.00 10.29 O ATOM 2050 CB HIS B 122 -34.182 13.511 -16.196 1.00 12.23 C ATOM 2051 CG HIS B 122 -35.316 13.753 -15.249 1.00 17.68 C ATOM 2052 ND1 HIS B 122 -36.637 13.626 -15.625 1.00 23.24 N ATOM 2053 CD2 HIS B 122 -35.328 14.082 -13.936 1.00 21.10 C ATOM 2054 CE1 HIS B 122 -37.414 13.885 -14.588 1.00 20.03 C ATOM 2055 NE2 HIS B 122 -36.645 14.167 -13.552 1.00 23.14 N ATOM 2056 H HIS B 122 -33.491 11.327 -14.805 1.00 0.00 H ATOM 2057 N TRP B 123 -32.945 12.556 -18.774 1.00 10.12 N ATOM 2058 CA TRP B 123 -31.865 12.447 -19.745 1.00 8.69 C ATOM 2059 C TRP B 123 -31.535 13.866 -20.159 1.00 11.14 C ATOM 2060 O TRP B 123 -32.448 14.624 -20.468 1.00 12.62 O ATOM 2061 CB TRP B 123 -32.324 11.620 -20.950 1.00 10.57 C ATOM 2062 CG TRP B 123 -31.205 11.017 -21.754 1.00 8.03 C ATOM 2063 CD1 TRP B 123 -30.869 11.311 -23.050 1.00 9.98 C ATOM 2064 CD2 TRP B 123 -30.279 10.010 -21.317 1.00 8.66 C ATOM 2065 NE1 TRP B 123 -29.792 10.544 -23.441 1.00 8.90 N ATOM 2066 CE2 TRP B 123 -29.408 9.745 -22.395 1.00 8.28 C ATOM 2067 CE3 TRP B 123 -30.107 9.300 -20.120 1.00 8.93 C ATOM 2068 CZ2 TRP B 123 -28.380 8.801 -22.311 1.00 8.76 C ATOM 2069 CZ3 TRP B 123 -29.086 8.362 -20.039 1.00 8.44 C ATOM 2070 CH2 TRP B 123 -28.236 8.122 -21.132 1.00 8.20 C ATOM 2071 HE1 TRP B 123 -29.343 10.568 -24.379 1.00 0.00 H ATOM 2072 H TRP B 123 -33.737 13.202 -18.965 1.00 0.00 H ATOM 2073 N PRO B 124 -30.246 14.246 -20.164 1.00 9.04 N ATOM 2074 CA PRO B 124 -29.035 13.444 -19.934 1.00 9.52 C ATOM 2075 C PRO B 124 -28.872 12.987 -18.480 1.00 9.50 C ATOM 2076 O PRO B 124 -29.486 13.561 -17.574 1.00 9.55 O ATOM 2077 CB PRO B 124 -27.909 14.413 -20.319 1.00 11.45 C ATOM 2078 CG PRO B 124 -28.478 15.769 -20.012 1.00 13.05 C ATOM 2079 CD PRO B 124 -29.912 15.650 -20.464 1.00 11.90 C ATOM 2080 N PRO B 125 -28.046 11.953 -18.252 1.00 8.31 N ATOM 2081 CA PRO B 125 -27.857 11.408 -16.898 1.00 8.61 C ATOM 2082 C PRO B 125 -26.796 12.191 -16.134 1.00 8.68 C ATOM 2083 O PRO B 125 -25.740 11.665 -15.763 1.00 10.45 O ATOM 2084 CB PRO B 125 -27.413 9.971 -17.196 1.00 8.43 C ATOM 2085 CG PRO B 125 -26.549 10.140 -18.425 1.00 8.55 C ATOM 2086 CD PRO B 125 -27.241 11.218 -19.251 1.00 10.43 C ATOM 2087 N GLY B 126 -27.071 13.472 -15.914 1.00 9.55 N ATOM 2088 CA GLY B 126 -26.072 14.380 -15.381 1.00 11.28 C ATOM 2089 C GLY B 126 -25.258 14.992 -16.507 1.00 13.44 C ATOM 2090 O GLY B 126 -24.223 15.633 -16.290 1.00 11.66 O ATOM 2091 OXT GLY B 126 -25.617 14.846 -17.685 1.00 14.93 O ATOM 2092 H GLY B 126 -28.023 13.832 -16.128 1.00 0.00 H TER 2093 GLY B 126 HETATM 2094 O HOH 1 -33.177 -14.177 -34.969 1.00 37.13 O HETATM 2095 O HOH 2 -31.807 -6.377 -30.925 1.00 12.17 O HETATM 2096 O HOH 3 -39.382 2.340 -22.038 1.00 24.93 O HETATM 2097 O HOH 4 -41.780 6.085 -16.315 1.00 19.29 O HETATM 2098 O HOH 5 -21.870 -14.474 -19.759 1.00 16.58 O HETATM 2099 O HOH 6 -30.421 -13.223 -13.014 1.00 22.35 O HETATM 2100 O HOH 7 -34.393 -6.578 -39.920 1.00 27.69 O HETATM 2101 O HOH 8 -38.823 3.008 -10.475 1.00 13.48 O HETATM 2102 O HOH 9 -21.727 10.274 -30.517 1.00 17.53 O HETATM 2103 O HOH 10 -13.784 13.151 -19.609 1.00 11.13 O HETATM 2104 O HOH 11 -12.052 -9.032 -27.041 1.00 27.31 O HETATM 2105 O HOH 12 -15.511 19.822 -21.943 1.00 14.67 O HETATM 2106 O HOH 13 -15.252 -11.954 -25.952 1.00 26.91 O HETATM 2107 O HOH 14 -29.514 0.618 -43.951 1.00 30.65 O HETATM 2108 O HOH 15 -38.482 -7.207 -16.250 1.00 29.83 O HETATM 2109 O HOH 16 -14.724 14.293 -26.125 1.00 12.18 O HETATM 2110 O HOH 17 -15.380 4.335 -36.312 1.00 27.67 O HETATM 2111 O HOH 18 -41.870 5.290 -9.977 1.00 28.63 O HETATM 2112 O HOH 19 -18.661 -15.969 -28.672 1.00 20.67 O HETATM 2113 O HOH 20 -21.386 -6.239 -35.193 1.00 14.52 O HETATM 2114 O HOH 21 -10.654 3.796 -18.797 1.00 11.37 O HETATM 2115 O HOH 22 -25.544 12.278 -34.835 1.00 30.43 O HETATM 2116 O HOH 23 -21.650 -3.800 -36.263 1.00 13.97 O HETATM 2117 O HOH 24 -19.559 -14.129 -21.655 1.00 25.75 O HETATM 2118 O HOH 25 -6.350 7.638 -22.364 1.00 31.02 O HETATM 2119 O HOH 26 -30.192 -13.803 -21.368 1.00 22.83 O HETATM 2120 O HOH 27 -21.071 -15.203 -9.548 1.00 27.02 O HETATM 2121 O HOH 28 -20.325 21.840 -15.279 1.00 29.17 O HETATM 2122 O HOH 29 -14.174 6.730 -32.677 1.00 15.71 O HETATM 2123 O HOH 30 -25.610 -6.864 -43.654 1.00 26.10 O HETATM 2124 O HOH 31 -20.407 -13.679 -32.078 1.00 16.03 O HETATM 2125 O HOH 32 -30.732 -16.953 -14.274 1.00 28.27 O HETATM 2126 O HOH 33 -23.509 -1.434 -38.582 1.00 13.35 O HETATM 2127 O HOH 34 -22.905 5.078 -34.557 1.00 13.60 O HETATM 2128 O HOH 35 -33.494 5.652 -29.118 1.00 19.37 O HETATM 2129 O HOH 36 -12.998 10.923 -27.369 1.00 25.74 O HETATM 2130 O HOH 37 -25.284 4.635 -35.798 1.00 16.20 O HETATM 2131 O HOH 38 -13.105 -12.263 -30.467 1.00 29.39 O HETATM 2132 O HOH 39 -33.427 8.153 -19.977 1.00 16.78 O HETATM 2133 O HOH 40 -22.884 -11.528 -26.626 1.00 12.63 O HETATM 2134 O HOH 41 -24.107 -14.491 -21.853 1.00 23.70 O HETATM 2135 O HOH 42 -31.973 -9.506 -41.316 1.00 32.60 O HETATM 2136 O HOH 43 -20.592 19.900 -17.950 1.00 19.69 O HETATM 2137 O HOH 44 -27.768 4.282 -37.780 1.00 19.77 O HETATM 2138 O HOH 45 -10.688 13.785 -23.252 1.00 17.75 O HETATM 2139 O HOH 46 -35.564 -8.462 -12.463 1.00 17.07 O HETATM 2140 O HOH 47 -17.261 12.200 -29.956 1.00 14.57 O HETATM 2141 O HOH 48 -29.460 1.639 -21.349 1.00 8.60 O HETATM 2142 O HOH 49 -27.893 16.592 -12.822 1.00 19.83 O HETATM 2143 O HOH 50 -32.800 -12.569 -21.001 1.00 24.03 O HETATM 2144 O HOH 51 -31.552 9.140 -30.735 1.00 21.73 O HETATM 2145 O HOH 52 -19.214 10.184 -29.239 1.00 11.68 O HETATM 2146 O HOH 53 -20.437 3.759 -40.722 1.00 25.03 O HETATM 2147 O HOH 54 -28.916 9.951 -26.123 1.00 9.66 O HETATM 2148 O HOH 55 -38.697 3.684 -27.463 1.00 25.15 O HETATM 2149 O HOH 56 -21.952 -8.934 -38.165 1.00 20.80 O HETATM 2150 O HOH 57 -36.141 -1.950 -35.389 1.00 16.26 O HETATM 2151 O HOH 58 -11.137 13.219 -20.289 1.00 21.45 O HETATM 2152 O HOH 59 -15.135 17.731 -10.294 1.00 22.52 O HETATM 2153 O HOH 60 -15.509 -3.685 -36.438 1.00 13.38 O HETATM 2154 O HOH 61 -38.849 -2.513 -16.008 1.00 25.51 O HETATM 2155 O HOH 62 -42.810 7.336 -12.819 1.00 31.75 O HETATM 2156 O HOH 63 -31.703 -2.414 -19.667 1.00 10.88 O HETATM 2157 O HOH 64 -40.256 6.912 -19.882 1.00 28.42 O HETATM 2158 O HOH 65 -21.355 14.139 -10.801 1.00 8.86 O HETATM 2159 O HOH 66 -18.321 -2.259 -39.539 1.00 14.31 O HETATM 2160 O HOH 67 -40.944 -1.211 -20.100 1.00 23.34 O HETATM 2161 O HOH 68 -37.298 7.117 -23.664 1.00 29.63 O HETATM 2162 O HOH 69 -31.173 -14.065 -27.268 1.00 28.68 O HETATM 2163 O HOH 70 -17.313 20.509 -18.190 1.00 16.14 O HETATM 2164 O HOH 71 -11.600 -7.890 -31.348 1.00 21.29 O HETATM 2165 O HOH 72 -31.432 15.413 -24.068 1.00 33.67 O HETATM 2166 O HOH 73 -32.654 -4.006 -43.677 1.00 20.94 O HETATM 2167 O HOH 74 -34.049 -10.942 -23.344 1.00 17.96 O HETATM 2168 O HOH 75 -28.393 -18.474 -16.005 1.00 26.42 O HETATM 2169 O HOH 76 -27.659 15.013 -29.240 1.00 23.76 O HETATM 2170 O HOH 77 -17.495 2.081 -38.297 1.00 13.27 O HETATM 2171 O HOH 78 -29.170 -13.202 -29.867 1.00 24.24 O HETATM 2172 O HOH 79 -21.054 -15.695 -16.417 1.00 20.84 O HETATM 2173 O HOH 80 -28.855 -2.975 -45.494 1.00 31.88 O HETATM 2174 O HOH 81 -20.399 14.760 -29.419 1.00 18.50 O HETATM 2175 O HOH 82 -12.481 -3.817 -33.124 1.00 18.15 O HETATM 2176 O HOH 83 -30.297 -1.022 -21.688 1.00 9.57 O HETATM 2177 O HOH 84 -40.726 -0.589 -17.529 1.00 20.80 O HETATM 2178 O HOH 85 -16.091 20.785 -12.073 1.00 26.11 O HETATM 2179 O HOH 86 -13.466 0.379 -35.773 1.00 27.20 O HETATM 2180 O HOH 87 -5.150 10.260 -22.841 1.00 25.76 O HETATM 2181 O HOH 88 -11.423 -7.299 -22.919 1.00 29.19 O HETATM 2182 O HOH 89 -32.180 4.777 -35.115 1.00 25.12 O HETATM 2183 O HOH 90 -24.810 -0.514 -43.019 1.00 24.78 O HETATM 2184 O HOH 91 -21.708 -10.201 -35.274 1.00 29.30 O HETATM 2185 O HOH 92 -10.104 7.793 -16.907 1.00 30.80 O HETATM 2186 O HOH 93 -21.679 0.060 -39.877 1.00 17.41 O HETATM 2187 O HOH 94 -9.687 6.505 -19.471 1.00 23.54 O HETATM 2188 O HOH 95 -22.356 -13.429 -28.696 1.00 28.60 O HETATM 2189 O HOH 96 -7.984 0.501 -20.214 1.00 23.92 O HETATM 2190 O HOH 97 -35.716 -8.250 -31.161 1.00 16.82 O HETATM 2191 O HOH 98 -12.558 -11.120 -23.912 1.00 32.64 O HETATM 2192 O HOH 99 -33.040 15.021 -11.622 1.00 33.73 O HETATM 2193 O HOH 100 -18.943 0.338 -39.793 1.00 15.05 O HETATM 2194 O HOH 101 -31.707 11.131 -26.727 1.00 28.93 O HETATM 2195 O HOH 102 -22.155 18.065 -23.826 1.00 20.07 O HETATM 2196 O HOH 103 -31.597 -13.057 -31.108 1.00 30.58 O HETATM 2197 O HOH 104 -14.845 10.436 -29.630 1.00 24.90 O HETATM 2198 O HOH 105 -23.612 1.148 -15.362 1.00 20.66 O HETATM 2199 O HOH 106 -13.839 -2.201 -34.538 1.00 24.72 O HETATM 2200 O HOH 107 -23.207 -16.167 -8.598 1.00 22.16 O HETATM 2201 O HOH 108 -13.600 -10.728 -33.045 1.00 23.09 O HETATM 2202 O HOH 109 -20.553 18.127 -27.554 1.00 33.45 O HETATM 2203 O HOH 110 -15.038 0.509 -38.255 1.00 21.76 O HETATM 2204 O HOH 111 -21.025 -15.416 -27.331 1.00 32.98 O HETATM 2205 O HOH 112 -22.309 -0.188 -42.394 1.00 27.37 O HETATM 2206 O HOH 113 -15.680 -2.205 -38.676 1.00 17.03 O HETATM 2207 O HOH 114 -7.141 6.865 -19.521 1.00 32.16 O HETATM 2208 O HOH 115 -12.223 4.784 -32.575 1.00 25.88 O HETATM 2209 O HOH 116 -23.035 -13.580 -32.479 1.00 31.25 O HETATM 2210 O HOH 117 -13.216 20.892 -20.688 1.00 29.24 O HETATM 2211 O HOH 118 -30.897 -5.004 -45.258 1.00 33.99 O HETATM 2212 O HOH 119 -17.309 21.356 -20.737 1.00 20.39 O HETATM 2213 O HOH 120 -19.802 20.045 -23.352 1.00 23.65 O HETATM 2214 O HOH 121 -22.242 -13.876 -25.244 1.00 30.18 O HETATM 2215 O HOH 122 -17.829 0.578 -42.423 1.00 23.47 O HETATM 2216 O HOH 123 -14.192 -11.992 -11.843 1.00 15.14 O HETATM 2217 O HOH 124 -11.666 -10.378 -9.900 1.00 28.11 O HETATM 2218 O HOH 125 -10.293 -0.634 1.699 1.00 29.81 O HETATM 2219 O HOH 126 -13.572 17.135 -13.722 1.00 23.67 O HETATM 2220 O HOH 127 -22.663 7.793 -3.060 1.00 21.19 O HETATM 2221 O HOH 128 -27.053 -13.953 -8.311 1.00 33.42 O HETATM 2222 O HOH 129 -10.210 8.561 -14.720 1.00 23.45 O HETATM 2223 O HOH 130 -12.135 -4.451 11.137 1.00 17.37 O HETATM 2224 O HOH 131 -41.562 6.308 -5.423 1.00 29.23 O HETATM 2225 O HOH 132 -30.815 12.971 -0.210 1.00 24.60 O HETATM 2226 O HOH 133 -25.013 -14.061 -4.445 1.00 11.12 O HETATM 2227 O HOH 134 -38.871 3.610 -4.417 1.00 24.47 O HETATM 2228 O HOH 135 -35.458 9.744 -19.235 1.00 19.75 O HETATM 2229 O HOH 136 -15.640 -17.424 -1.192 1.00 12.94 O HETATM 2230 O HOH 137 -8.921 -4.600 -17.948 1.00 26.33 O HETATM 2231 O HOH 138 -28.152 12.397 3.532 1.00 27.60 O HETATM 2232 O HOH 139 -30.949 15.706 -16.874 1.00 20.01 O HETATM 2233 O HOH 140 -12.724 16.564 -20.144 1.00 19.50 O HETATM 2234 O HOH 141 -38.355 12.608 -11.644 1.00 29.08 O HETATM 2235 O HOH 142 -34.733 -5.938 -11.825 1.00 13.10 O HETATM 2236 O HOH 143 -12.123 0.828 0.118 1.00 12.69 O HETATM 2237 O HOH 144 -19.536 4.832 -9.167 1.00 7.02 O HETATM 2238 O HOH 145 -25.354 -8.654 5.580 1.00 16.86 O HETATM 2239 O HOH 146 -27.428 16.043 -5.561 1.00 26.43 O HETATM 2240 O HOH 147 -14.456 13.004 -8.562 1.00 14.68 O HETATM 2241 O HOH 148 -26.996 2.881 4.349 1.00 17.82 O HETATM 2242 O HOH 149 -8.360 -5.444 -10.097 1.00 34.53 O HETATM 2243 O HOH 150 -18.195 -8.299 5.743 1.00 15.47 O HETATM 2244 O HOH 151 -5.745 1.610 -7.969 1.00 32.50 O HETATM 2245 O HOH 152 -13.497 11.626 -5.423 1.00 17.38 O HETATM 2246 O HOH 153 -32.736 3.927 -0.965 1.00 12.64 O HETATM 2247 O HOH 154 -37.699 0.356 -2.470 1.00 30.83 O HETATM 2248 O HOH 155 -14.974 3.815 -11.106 1.00 14.43 O HETATM 2249 O HOH 156 -12.916 10.292 -3.084 1.00 12.09 O HETATM 2250 O HOH 157 -29.395 9.037 4.831 1.00 26.81 O HETATM 2251 O HOH 158 -13.952 18.840 -17.354 1.00 22.99 O HETATM 2252 O HOH 159 -21.569 -1.847 7.806 1.00 10.65 O HETATM 2253 O HOH 160 -20.265 13.787 -8.221 1.00 10.71 O HETATM 2254 O HOH 161 -31.569 -9.405 0.174 1.00 32.60 O HETATM 2255 O HOH 162 -6.800 4.906 -14.545 1.00 28.87 O HETATM 2256 O HOH 163 -35.332 3.718 -0.260 1.00 26.10 O HETATM 2257 O HOH 164 -19.206 2.941 14.193 1.00 26.18 O HETATM 2258 O HOH 165 -15.020 -8.863 -4.454 1.00 12.60 O HETATM 2259 O HOH 166 -21.239 10.693 -7.398 1.00 24.12 O HETATM 2260 O HOH 167 -41.619 9.459 -7.160 1.00 29.28 O HETATM 2261 O HOH 168 -8.274 2.440 -18.289 1.00 15.09 O HETATM 2262 O HOH 169 -8.815 3.995 -3.113 1.00 25.41 O HETATM 2263 O HOH 170 -23.303 -7.745 9.347 1.00 17.58 O HETATM 2264 O HOH 171 -16.206 -12.871 2.095 1.00 23.81 O HETATM 2265 O HOH 172 -25.290 -14.505 0.174 1.00 8.89 O HETATM 2266 O HOH 173 -23.526 4.396 6.020 1.00 14.86 O HETATM 2267 O HOH 174 -25.442 10.268 -3.795 1.00 16.10 O HETATM 2268 O HOH 175 -33.800 -2.497 2.356 1.00 21.85 O HETATM 2269 O HOH 176 -42.770 9.863 -15.842 1.00 34.11 O HETATM 2270 O HOH 177 -41.266 10.705 -11.246 1.00 25.01 O HETATM 2271 O HOH 178 -31.039 5.647 0.506 1.00 17.27 O HETATM 2272 O HOH 179 -25.535 -1.486 10.067 1.00 27.80 O HETATM 2273 O HOH 180 -16.659 -10.101 4.126 1.00 15.54 O HETATM 2274 O HOH 181 -20.544 6.497 -4.209 1.00 10.54 O HETATM 2275 O HOH 182 -22.585 5.354 9.045 1.00 15.16 O HETATM 2276 O HOH 183 -10.483 7.493 2.005 1.00 20.14 O HETATM 2277 O HOH 184 -12.033 7.946 -2.053 1.00 9.89 O HETATM 2278 O HOH 185 -21.050 -0.747 12.665 1.00 23.06 O HETATM 2279 O HOH 186 -28.222 14.000 1.000 1.00 26.38 O HETATM 2280 O HOH 187 -9.947 11.891 -12.698 1.00 23.53 O HETATM 2281 O HOH 188 -13.319 7.453 2.274 1.00 9.83 O HETATM 2282 O HOH 189 -9.044 -5.997 -1.606 1.00 24.43 O HETATM 2283 O HOH 190 -32.893 -6.708 2.581 1.00 31.08 O HETATM 2284 O HOH 191 -40.781 1.178 -9.810 1.00 18.87 O HETATM 2285 O HOH 192 -24.794 13.945 -2.960 1.00 16.21 O HETATM 2286 O HOH 193 -22.055 10.266 -4.992 1.00 24.74 O HETATM 2287 O HOH 194 -13.980 -13.079 -14.915 1.00 23.20 O HETATM 2288 O HOH 195 -37.239 -6.683 -0.090 1.00 33.99 O HETATM 2289 O HOH 196 -7.362 -0.707 -7.446 1.00 19.81 O HETATM 2290 O HOH 197 -37.899 -3.360 -13.562 1.00 27.91 O HETATM 2291 O HOH 198 -6.666 -9.843 -15.554 1.00 27.54 O HETATM 2292 O HOH 199 -28.280 -3.294 7.900 1.00 19.37 O HETATM 2293 O HOH 200 -35.604 13.870 -19.375 1.00 22.23 O HETATM 2294 O HOH 201 -10.773 -4.265 4.086 1.00 33.12 O HETATM 2295 O HOH 202 -17.457 -13.270 -9.208 1.00 20.09 O HETATM 2296 O HOH 203 -40.575 -5.432 -8.414 1.00 28.67 O HETATM 2297 O HOH 204 -17.009 3.541 -9.025 1.00 9.50 O HETATM 2298 O HOH 205 -28.147 -10.825 2.215 1.00 15.73 O HETATM 2299 O HOH 206 -35.951 1.283 -1.038 1.00 29.83 O HETATM 2300 O HOH 207 -34.132 11.364 -2.242 1.00 29.48 O HETATM 2301 O HOH 208 -34.421 -10.142 -10.606 1.00 24.89 O HETATM 2302 O HOH 209 -37.217 -4.740 -11.223 1.00 28.39 O HETATM 2303 O HOH 210 -40.247 -3.947 -1.430 1.00 31.86 O HETATM 2304 O HOH 211 -34.705 8.290 -0.512 1.00 31.41 O HETATM 2305 O HOH 212 -26.271 17.984 -17.680 1.00 33.28 O HETATM 2306 O HOH 213 -35.750 12.047 -5.845 1.00 22.80 O HETATM 2307 O HOH 214 -27.968 0.385 10.102 1.00 35.14 O HETATM 2308 O HOH 215 -24.268 3.991 3.497 1.00 16.49 O HETATM 2309 O HOH 216 -23.773 -2.407 9.233 1.00 22.33 O HETATM 2310 O HOH 217 -14.499 -13.261 -9.446 1.00 23.48 O HETATM 2311 O HOH 218 -12.929 -4.050 3.305 1.00 28.11 O HETATM 2312 O HOH 219 -39.206 5.633 0.000 1.00 31.76 O HETATM 2313 O HOH 220 -27.981 -8.728 3.945 1.00 21.37 O HETATM 2314 O HOH 221 -18.766 -16.539 -10.541 1.00 24.23 O HETATM 2315 O HOH 222 -25.727 12.100 5.225 1.00 22.80 O HETATM 2316 O HOH 223 -26.078 4.965 7.356 1.00 31.35 O HETATM 2317 O HOH 224 -27.219 3.321 9.138 1.00 26.58 O HETATM 2318 O HOH 225 -13.114 14.805 -7.992 1.00 28.38 O HETATM 2319 O HOH 226 -30.700 -11.403 -4.157 1.00 35.18 O HETATM 2320 O HOH 227 -28.797 -10.496 -4.899 1.00 28.73 O HETATM 2321 O HOH 228 -27.373 -12.903 -5.784 1.00 24.33 O HETATM 2322 O HOH 229 -14.254 -16.159 -9.613 1.00 26.81 O HETATM 2323 O HOH 230 -11.577 -2.429 1.145 1.00 30.61 O HETATM 2324 O HOH 231 -14.066 7.122 6.573 1.00 19.09 O HETATM 2325 O HOH 232 -9.704 7.865 -0.939 1.00 23.08 O HETATM 2326 O HOH 233 -41.912 9.281 -4.099 1.00 33.90 O HETATM 2327 O HOH 234 -6.430 4.102 -18.399 1.00 34.90 O HETATM 2328 O HOH 235 -18.962 -17.728 -13.112 1.00 23.55 O HETATM 2329 O HOH 236 -28.587 9.751 7.361 1.00 31.49 O HETATM 2330 O HOH 237 -12.951 -11.893 -7.847 1.00 22.62 O HETATM 2331 O3P UNN A 238 -30.926 3.732 -22.638 1.00 -0.61 O HETATM 2332 P UNN A 238 -31.593 3.841 -23.978 1.00 0.20 P HETATM 2333 O2P UNN A 238 -32.375 2.669 -24.516 1.00 -0.61 O HETATM 2334 O5' UNN A 238 -30.405 4.200 -24.991 1.00 -0.26 O HETATM 2335 C5' UNN A 238 -30.569 3.983 -26.388 1.00 0.11 C HETATM 2336 C4' UNN A 238 -29.589 4.893 -27.108 1.00 0.12 C HETATM 2337 C3' UNN A 238 -30.023 6.364 -27.141 1.00 0.12 C HETATM 2338 O3' UNN A 238 -29.042 7.178 -26.475 1.00 -0.39 O HETATM 2339 H5 UNN A 238 -28.205 7.087 -26.916 1.00 0.21 H HETATM 2340 C2' UNN A 238 -30.138 6.668 -28.633 1.00 0.14 C HETATM 2341 O2' UNN A 238 -29.690 7.968 -29.024 1.00 -0.38 O HETATM 2342 H7 UNN A 238 -28.773 8.067 -28.796 1.00 0.21 H HETATM 2343 C1' UNN A 238 -29.241 5.596 -29.229 1.00 0.20 C HETATM 2344 O4' UNN A 238 -29.508 4.440 -28.460 1.00 -0.34 O HETATM 2345 N9 UNN A 238 -29.552 5.253 -30.623 1.00 -0.19 N HETATM 2346 C4 UNN A 238 -28.621 5.065 -31.546 1.00 0.16 C HETATM 2347 C5 UNN A 238 -29.352 4.720 -32.752 1.00 0.10 C HETATM 2348 N7 UNN A 238 -30.660 4.728 -32.452 1.00 -0.30 N HETATM 2349 C8 UNN A 238 -30.775 5.037 -31.138 1.00 0.11 C HETATM 2350 H9 UNN A 238 -31.711 5.101 -30.585 1.00 0.13 H HETATM 2351 C6 UNN A 238 -28.544 4.475 -33.945 1.00 0.13 C HETATM 2352 N1 UNN A 238 -27.204 4.576 -33.831 1.00 -0.27 N HETATM 2353 C2 UNN A 238 -26.599 4.898 -32.671 1.00 0.05 C HETATM 2354 N3 UNN A 238 -27.273 5.145 -31.538 1.00 -0.27 N HETATM 2355 H10 UNN A 238 -25.517 4.960 -32.653 1.00 0.10 H HETATM 2356 N6 UNN A 238 -29.146 4.162 -35.121 1.00 -0.32 N HETATM 2357 H11 UNN A 238 -28.576 3.989 -35.961 1.00 0.18 H HETATM 2358 H12 UNN A 238 -30.173 4.097 -35.173 1.00 0.18 H HETATM 2359 H8 UNN A 238 -28.187 5.901 -29.150 1.00 0.10 H HETATM 2360 H6 UNN A 238 -31.179 6.544 -28.966 1.00 0.07 H HETATM 2361 H4 UNN A 238 -30.997 6.499 -26.648 1.00 0.06 H HETATM 2362 H3 UNN A 238 -28.606 4.820 -26.620 1.00 0.07 H HETATM 2363 H1 UNN A 238 -31.599 4.227 -26.688 1.00 0.07 H HETATM 2364 H2 UNN A 238 -30.355 2.932 -26.633 1.00 0.07 H HETATM 2365 N2 UNN A 238 -32.694 5.164 -24.000 1.00 -0.25 N HETATM 2366 C3 UNN A 238 -32.432 6.350 -23.212 1.00 0.13 C HETATM 2367 C7 UNN A 238 -33.423 7.380 -23.608 1.00 0.26 C HETATM 2368 O10 UNN A 238 -34.063 7.334 -24.640 1.00 -0.37 O HETATM 2369 O11 UNN A 238 -33.619 8.467 -22.707 1.00 -0.28 O HETATM 2370 C12 UNN A 238 -34.479 9.534 -23.112 1.00 0.07 C HETATM 2371 H18 UNN A 238 -34.526 10.290 -22.314 1.00 0.06 H HETATM 2372 H19 UNN A 238 -35.488 9.139 -23.304 1.00 0.06 H HETATM 2373 H20 UNN A 238 -34.085 9.994 -24.030 1.00 0.06 H HETATM 2374 C9 UNN A 238 -31.038 6.935 -23.414 1.00 -0.03 C HETATM 2375 H15 UNN A 238 -30.920 7.828 -22.783 1.00 0.03 H HETATM 2376 H16 UNN A 238 -30.906 7.212 -24.470 1.00 0.03 H HETATM 2377 H17 UNN A 238 -30.282 6.186 -23.134 1.00 0.03 H HETATM 2378 H14 UNN A 238 -32.557 6.100 -22.148 1.00 0.08 H HETATM 2379 H13 UNN A 238 -33.520 5.113 -24.561 1.00 0.17 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1055 1056 1059 1060 1061 CONECT 1059 1055 CONECT 1060 1055 CONECT 1061 1055 CONECT 2331 2332 CONECT 2332 2331 2333 2334 2365 CONECT 2333 2332 CONECT 2334 2332 2335 CONECT 2335 2334 2336 2363 2364 CONECT 2336 2335 2337 2344 2362 CONECT 2337 2336 2338 2340 2361 CONECT 2338 2337 2339 CONECT 2339 2338 CONECT 2340 2337 2341 2343 2360 CONECT 2341 2340 2342 CONECT 2342 2341 CONECT 2343 2340 2344 2345 2359 CONECT 2344 2336 2343 CONECT 2345 2343 2346 2349 CONECT 2346 2345 2347 2354 CONECT 2347 2346 2348 2351 CONECT 2348 2347 2349 CONECT 2349 2345 2348 2350 CONECT 2350 2349 CONECT 2351 2347 2352 2356 CONECT 2352 2351 2353 CONECT 2353 2352 2354 2355 CONECT 2354 2346 2353 CONECT 2355 2353 CONECT 2356 2351 2357 2358 CONECT 2357 2356 CONECT 2358 2356 CONECT 2359 2343 CONECT 2360 2340 CONECT 2361 2337 CONECT 2362 2336 CONECT 2363 2335 CONECT 2364 2335 CONECT 2365 2332 2366 2379 CONECT 2366 2365 2367 2374 2378 CONECT 2367 2366 2368 2369 CONECT 2368 2367 CONECT 2369 2367 2370 CONECT 2370 2369 2371 2372 2373 CONECT 2371 2370 CONECT 2372 2370 CONECT 2373 2370 CONECT 2374 2366 2375 2376 2377 CONECT 2375 2374 CONECT 2376 2374 CONECT 2377 2374 CONECT 2378 2366 CONECT 2379 2365 MASTER 0 0 0 0 0 0 0 0 2377 2 57 18 END
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5wa8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histidine triad nucleotide-binding protein 1
Ligand Name
9ZA
EC.Number
E.C.-.-.-.-
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=0.587uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Mol. Pharm. Vol. 14: pp. 3987-3997
Ligand Properties
Formula
C
1
4
H
2
2
N
6
O
8
P
Molecular Weight
433.334
Exact Mass
433.124
No. of atoms
51
No. of bonds
53
Polar Surface Area
220.92
LOGP Value
-3.06 (
Computed with XLOGP3
)
-1.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
Canonical SMILES
COC(=O)[C@@H](NP(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)(O)O)C
InChI String
InChI=1S/C14H23N6O8P/c1-6(14(23)26-2)19-29(24,25)27-3-7-9(21)10(22)13(28-7)20-5-18-8-11(15)16-4-17-12(8)20/h4-7,9-10,13,19,21-22,24-25,29H,3H2,1-2H3,(H2,15,16,17)/t6-,7+,9+,10+,13+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P49773
Entrez Gene ID
NCBI Entrez Gene ID:
3094
ASD
Information of known allosteric effects of PDB entries
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