Browse entries in the PDBbind-CN Database
HEADER 5ML6_COMPLEX COMPND 5ML6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 109 SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG GLY SEQRES 2 B 109 PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA GLU THR SEQRES 3 B 109 GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER VAL SEQRES 4 B 109 PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS ILE SEQRES 5 B 109 LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SER SEQRES 6 B 109 SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN LYS SEQRES 7 B 109 VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE PHE SEQRES 8 B 109 GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR TRP SEQRES 9 B 109 GLN SER LEU ILE GLU SEQRES 1 B 36 SER GLN MET MET PRO ALA SER VAL LEU THR GLY ASN VAL SEQRES 2 B 36 ILE ILE GLU THR LYS PHE PHE ASP ASP ASP LEU LEU VAL SEQRES 3 B 36 SER THR SER ARG VAL ARG LEU PHE TYR VAL HET UNN A 245 84 ATOM 1 N SER B 2 -3.688 1.208 15.813 1.00 39.08 N ATOM 2 CA SER B 2 -3.696 1.667 17.241 1.00 38.63 C ATOM 3 C SER B 2 -5.108 1.678 17.811 1.00 36.86 C ATOM 4 O SER B 2 -6.084 1.610 17.061 1.00 36.74 O ATOM 5 CB SER B 2 -3.089 3.066 17.377 1.00 40.59 C ATOM 6 OG SER B 2 -3.980 4.063 16.891 1.00 42.81 O ATOM 7 HG SER B 2 -4.173 3.894 15.935 1.00 0.00 H ATOM 8 HN3 SER B 2 -4.272 1.851 15.240 1.00 0.00 H ATOM 9 HN2 SER B 2 -4.075 0.244 15.758 1.00 0.00 H ATOM 10 HN1 SER B 2 -2.712 1.212 15.454 1.00 0.00 H ATOM 11 N ALA B 3 -5.206 1.776 19.135 1.00 35.33 N ATOM 12 CA ALA B 3 -6.495 1.774 19.817 1.00 36.11 C ATOM 13 C ALA B 3 -7.310 3.018 19.440 1.00 36.10 C ATOM 14 O ALA B 3 -8.524 2.948 19.287 1.00 34.06 O ATOM 15 CB ALA B 3 -6.303 1.704 21.328 1.00 36.16 C ATOM 16 H ALA B 3 -4.337 1.856 19.700 1.00 0.00 H ATOM 17 N LYS B 4 -6.618 4.145 19.293 1.00 36.22 N ATOM 18 CA LYS B 4 -7.233 5.395 18.852 1.00 36.09 C ATOM 19 C LYS B 4 -7.826 5.312 17.433 1.00 32.82 C ATOM 20 O LYS B 4 -8.957 5.760 17.215 1.00 32.26 O ATOM 21 CB LYS B 4 -6.227 6.557 18.982 1.00 38.76 C ATOM 22 CG LYS B 4 -6.081 7.017 20.426 1.00 41.62 C ATOM 23 CD LYS B 4 -4.931 7.987 20.634 1.00 46.09 C ATOM 24 CE LYS B 4 -4.830 8.381 22.104 1.00 48.98 C ATOM 25 NZ LYS B 4 -3.514 9.006 22.430 1.00 51.43 N ATOM 26 HZ1 LYS B 4 -2.750 8.331 22.222 1.00 0.00 H ATOM 27 HZ2 LYS B 4 -3.387 9.863 21.855 1.00 0.00 H ATOM 28 HZ3 LYS B 4 -3.491 9.257 23.439 1.00 0.00 H ATOM 29 H LYS B 4 -5.599 4.136 19.500 1.00 0.00 H ATOM 30 N ASP B 5 -7.084 4.733 16.489 1.00 30.48 N ATOM 31 CA ASP B 5 -7.608 4.460 15.139 1.00 29.91 C ATOM 32 C ASP B 5 -8.857 3.550 15.192 1.00 26.10 C ATOM 33 O ASP B 5 -9.810 3.732 14.451 1.00 22.66 O ATOM 34 CB ASP B 5 -6.560 3.763 14.264 1.00 33.69 C ATOM 35 CG ASP B 5 -5.307 4.614 14.024 1.00 38.11 C ATOM 36 OD1 ASP B 5 -5.428 5.732 13.487 1.00 41.45 O ATOM 37 OD2 ASP B 5 -4.194 4.140 14.347 1.00 41.70 O ATOM 38 H ASP B 5 -6.104 4.465 16.712 1.00 0.00 H ATOM 39 N GLU B 6 -8.823 2.550 16.061 1.00 24.42 N ATOM 40 CA GLU B 6 -9.950 1.636 16.210 1.00 23.74 C ATOM 41 C GLU B 6 -11.141 2.393 16.813 1.00 21.78 C ATOM 42 O GLU B 6 -12.296 2.206 16.397 1.00 18.77 O ATOM 43 CB GLU B 6 -9.538 0.453 17.091 1.00 25.61 C ATOM 44 CG GLU B 6 -10.648 -0.514 17.428 1.00 26.99 C ATOM 45 CD GLU B 6 -11.259 -1.169 16.206 1.00 30.85 C ATOM 46 OE1 GLU B 6 -10.558 -1.321 15.178 1.00 32.00 O ATOM 47 OE2 GLU B 6 -12.452 -1.531 16.283 1.00 33.62 O ATOM 48 H GLU B 6 -7.976 2.414 16.649 1.00 0.00 H ATOM 49 N ARG B 7 -10.844 3.246 17.791 1.00 21.13 N ATOM 50 CA ARG B 7 -11.875 4.026 18.464 1.00 20.23 C ATOM 51 C ARG B 7 -12.531 5.000 17.503 1.00 18.56 C ATOM 52 O ARG B 7 -13.744 5.156 17.542 1.00 17.33 O ATOM 53 CB ARG B 7 -11.312 4.776 19.669 1.00 21.38 C ATOM 54 CG ARG B 7 -12.327 5.611 20.412 1.00 23.14 C ATOM 55 CD ARG B 7 -13.431 4.740 20.972 1.00 25.07 C ATOM 56 NE ARG B 7 -14.417 5.519 21.700 1.00 27.34 N ATOM 57 CZ ARG B 7 -15.692 5.171 21.872 1.00 26.69 C ATOM 58 NH1 ARG B 7 -16.186 4.041 21.347 1.00 25.52 N ATOM 59 NH2 ARG B 7 -16.481 5.986 22.556 1.00 26.36 N ATOM 60 HE ARG B 7 -14.104 6.418 22.119 1.00 0.00 H ATOM 61 HH12 ARG B 7 -17.185 3.792 21.496 1.00 0.00 H ATOM 62 HH11 ARG B 7 -15.571 3.413 20.791 1.00 0.00 H ATOM 63 HH22 ARG B 7 -17.480 5.739 22.705 1.00 0.00 H ATOM 64 HH21 ARG B 7 -16.101 6.873 22.944 1.00 0.00 H ATOM 65 H ARG B 7 -9.852 3.359 18.082 1.00 0.00 H ATOM 66 N ALA B 8 -11.733 5.667 16.666 1.00 18.28 N ATOM 67 CA ALA B 8 -12.271 6.583 15.656 1.00 18.70 C ATOM 68 C ALA B 8 -13.281 5.887 14.740 1.00 18.25 C ATOM 69 O ALA B 8 -14.362 6.423 14.450 1.00 18.12 O ATOM 70 CB ALA B 8 -11.151 7.216 14.839 1.00 18.61 C ATOM 71 H ALA B 8 -10.704 5.533 16.732 1.00 0.00 H ATOM 72 N ARG B 9 -12.935 4.680 14.306 1.00 17.96 N ATOM 73 CA ARG B 9 -13.809 3.884 13.441 1.00 18.78 C ATOM 74 C ARG B 9 -15.111 3.449 14.122 1.00 16.87 C ATOM 75 O ARG B 9 -16.164 3.352 13.478 1.00 15.79 O ATOM 76 CB ARG B 9 -13.059 2.662 12.914 1.00 20.50 C ATOM 77 CG ARG B 9 -11.980 3.015 11.910 1.00 23.84 C ATOM 78 CD ARG B 9 -11.277 1.763 11.446 1.00 27.26 C ATOM 79 NE ARG B 9 -10.286 2.028 10.418 1.00 32.63 N ATOM 80 CZ ARG B 9 -9.675 1.089 9.694 1.00 36.11 C ATOM 81 NH1 ARG B 9 -9.958 -0.204 9.869 1.00 37.82 N ATOM 82 NH2 ARG B 9 -8.780 1.444 8.782 1.00 37.37 N ATOM 83 HE ARG B 9 -10.035 3.020 10.233 1.00 0.00 H ATOM 84 HH12 ARG B 9 -9.473 -0.925 9.297 1.00 0.00 H ATOM 85 HH11 ARG B 9 -10.663 -0.491 10.578 1.00 0.00 H ATOM 86 HH22 ARG B 9 -8.300 0.717 8.214 1.00 0.00 H ATOM 87 HH21 ARG B 9 -8.558 2.449 8.635 1.00 0.00 H ATOM 88 H ARG B 9 -12.014 4.288 14.589 1.00 0.00 H ATOM 89 N GLU B 10 -15.045 3.171 15.418 1.00 16.39 N ATOM 90 CA GLU B 10 -16.244 2.797 16.176 1.00 15.63 C ATOM 91 C GLU B 10 -17.189 3.960 16.270 1.00 15.40 C ATOM 92 O GLU B 10 -18.400 3.805 16.124 1.00 15.20 O ATOM 93 CB GLU B 10 -15.879 2.344 17.605 1.00 16.70 C ATOM 94 H GLU B 10 -14.127 3.219 15.905 1.00 0.00 H ATOM 95 N ILE B 11 -16.633 5.141 16.540 1.00 15.16 N ATOM 96 CA ILE B 11 -17.447 6.327 16.635 1.00 15.21 C ATOM 97 C ILE B 11 -18.109 6.616 15.283 1.00 15.06 C ATOM 98 O ILE B 11 -19.295 6.869 15.229 1.00 14.23 O ATOM 99 CB ILE B 11 -16.650 7.556 17.103 1.00 15.32 C ATOM 100 CG1 ILE B 11 -16.095 7.347 18.531 1.00 16.12 C ATOM 101 CG2 ILE B 11 -17.561 8.784 17.080 1.00 15.57 C ATOM 102 CD1 ILE B 11 -14.941 8.254 18.925 1.00 16.66 C ATOM 103 H ILE B 11 -15.605 5.207 16.683 1.00 0.00 H ATOM 104 N LEU B 12 -17.339 6.584 14.195 1.00 14.48 N ATOM 105 CA LEU B 12 -17.921 6.768 12.859 1.00 14.35 C ATOM 106 C LEU B 12 -19.039 5.773 12.554 1.00 14.74 C ATOM 107 O LEU B 12 -20.137 6.141 12.130 1.00 14.57 O ATOM 108 CB LEU B 12 -16.835 6.648 11.803 1.00 14.83 C ATOM 109 CG LEU B 12 -17.290 6.772 10.340 1.00 14.88 C ATOM 110 CD1 LEU B 12 -18.064 8.063 10.134 1.00 15.31 C ATOM 111 CD2 LEU B 12 -16.065 6.707 9.434 1.00 15.45 C ATOM 112 H LEU B 12 -16.316 6.427 14.293 1.00 0.00 H ATOM 113 N ARG B 13 -18.746 4.503 12.784 1.00 14.13 N ATOM 114 CA ARG B 13 -19.726 3.436 12.623 1.00 14.56 C ATOM 115 C ARG B 13 -21.053 3.747 13.321 1.00 14.58 C ATOM 116 O ARG B 13 -22.112 3.491 12.762 1.00 16.43 O ATOM 117 CB ARG B 13 -19.160 2.100 13.118 1.00 14.18 C ATOM 118 CG ARG B 13 -20.161 0.953 13.022 1.00 14.18 C ATOM 119 CD ARG B 13 -19.600 -0.418 13.401 1.00 14.33 C ATOM 120 NE ARG B 13 -20.710 -1.360 13.400 1.00 14.69 N ATOM 121 CZ ARG B 13 -21.249 -1.904 12.316 1.00 14.74 C ATOM 122 NH1 ARG B 13 -20.760 -1.646 11.107 1.00 14.51 N ATOM 123 NH2 ARG B 13 -22.305 -2.702 12.440 1.00 16.60 N ATOM 124 HE ARG B 13 -21.112 -1.628 14.321 1.00 0.00 H ATOM 125 HH12 ARG B 13 -21.194 -2.080 10.267 1.00 0.00 H ATOM 126 HH11 ARG B 13 -19.944 -1.010 11.001 1.00 0.00 H ATOM 127 HH22 ARG B 13 -22.734 -3.132 11.596 1.00 0.00 H ATOM 128 HH21 ARG B 13 -22.703 -2.896 13.381 1.00 0.00 H ATOM 129 H ARG B 13 -17.783 4.258 13.090 1.00 0.00 H ATOM 130 N GLY B 14 -21.006 4.289 14.535 1.00 15.21 N ATOM 131 CA GLY B 14 -22.213 4.566 15.296 1.00 15.05 C ATOM 132 C GLY B 14 -22.823 5.943 15.064 1.00 15.57 C ATOM 133 O GLY B 14 -23.816 6.278 15.701 1.00 16.00 O ATOM 134 H GLY B 14 -20.081 4.521 14.951 1.00 0.00 H ATOM 135 N PHE B 15 -22.249 6.737 14.156 1.00 16.41 N ATOM 136 CA PHE B 15 -22.694 8.128 13.954 1.00 16.61 C ATOM 137 C PHE B 15 -23.583 8.300 12.721 1.00 17.09 C ATOM 138 O PHE B 15 -23.307 7.733 11.679 1.00 15.28 O ATOM 139 CB PHE B 15 -21.474 9.031 13.804 1.00 17.57 C ATOM 140 CG PHE B 15 -21.818 10.482 13.698 1.00 18.73 C ATOM 141 CD1 PHE B 15 -21.976 11.245 14.838 1.00 19.55 C ATOM 142 CD2 PHE B 15 -22.011 11.080 12.458 1.00 20.06 C ATOM 143 CE1 PHE B 15 -22.324 12.574 14.752 1.00 19.76 C ATOM 144 CE2 PHE B 15 -22.330 12.418 12.359 1.00 19.68 C ATOM 145 CZ PHE B 15 -22.506 13.162 13.511 1.00 20.09 C ATOM 146 H PHE B 15 -21.469 6.365 13.577 1.00 0.00 H ATOM 147 N LYS B 16 -24.615 9.127 12.847 1.00 18.11 N ATOM 148 CA LYS B 16 -25.516 9.445 11.752 1.00 21.05 C ATOM 149 C LYS B 16 -25.915 10.916 11.877 1.00 21.30 C ATOM 150 O LYS B 16 -26.329 11.350 12.956 1.00 21.50 O ATOM 151 CB LYS B 16 -26.767 8.559 11.849 1.00 23.32 C ATOM 152 CG LYS B 16 -27.767 8.700 10.713 1.00 27.72 C ATOM 153 CD LYS B 16 -27.222 8.165 9.406 1.00 31.38 C ATOM 154 CE LYS B 16 -28.151 8.445 8.231 1.00 34.03 C ATOM 155 NZ LYS B 16 -29.460 7.748 8.380 1.00 35.05 N ATOM 156 HZ1 LYS B 16 -29.301 6.722 8.433 1.00 0.00 H ATOM 157 HZ2 LYS B 16 -29.927 8.073 9.250 1.00 0.00 H ATOM 158 HZ3 LYS B 16 -30.062 7.965 7.560 1.00 0.00 H ATOM 159 H LYS B 16 -24.786 9.568 13.773 1.00 0.00 H ATOM 160 N LEU B 17 -25.854 11.628 10.836 1.00 21.03 N ATOM 161 CA LEU B 17 -26.441 12.974 10.816 1.00 21.42 C ATOM 162 C LEU B 17 -27.818 12.828 10.175 1.00 22.02 C ATOM 163 O LEU B 17 -27.929 12.372 9.035 1.00 20.66 O ATOM 164 CB LEU B 17 -25.549 13.938 10.039 1.00 24.15 C ATOM 165 CG LEU B 17 -25.965 15.400 9.806 1.00 26.61 C ATOM 166 CD1 LEU B 17 -26.106 16.218 11.081 1.00 28.36 C ATOM 167 CD2 LEU B 17 -24.948 16.069 8.895 1.00 28.26 C ATOM 168 H LEU B 17 -25.384 11.258 9.985 1.00 0.00 H ATOM 169 N ASN B 18 -28.821 13.176 10.910 1.00 21.50 N ATOM 170 CA ASN B 18 -30.207 12.925 10.521 1.00 22.57 C ATOM 171 C ASN B 18 -30.830 14.041 9.687 1.00 23.16 C ATOM 172 O ASN B 18 -31.499 13.775 8.692 1.00 24.26 O ATOM 173 CB ASN B 18 -31.059 12.686 11.759 1.00 22.95 C ATOM 174 CG ASN B 18 -30.558 11.519 12.587 1.00 22.22 C ATOM 175 OD1 ASN B 18 -30.361 10.419 12.073 1.00 22.85 O ATOM 176 ND2 ASN B 18 -30.329 11.759 13.867 1.00 21.70 N ATOM 177 HD22 ASN B 18 -30.510 12.705 14.259 1.00 0.00 H ATOM 178 HD21 ASN B 18 -29.968 11.002 14.482 1.00 0.00 H ATOM 179 H ASN B 18 -28.635 13.654 11.815 1.00 0.00 H ATOM 180 N TRP B 19 -30.628 15.279 10.108 1.00 23.00 N ATOM 181 CA TRP B 19 -31.148 16.431 9.378 1.00 24.08 C ATOM 182 C TRP B 19 -30.394 17.678 9.765 1.00 23.86 C ATOM 183 O TRP B 19 -29.671 17.725 10.769 1.00 22.20 O ATOM 184 CB TRP B 19 -32.680 16.617 9.553 1.00 24.99 C ATOM 185 CG TRP B 19 -33.191 16.751 10.984 1.00 25.33 C ATOM 186 CD1 TRP B 19 -33.748 15.756 11.753 1.00 25.62 C ATOM 187 CD2 TRP B 19 -33.219 17.937 11.790 1.00 25.76 C ATOM 188 NE1 TRP B 19 -34.100 16.249 12.989 1.00 25.07 N ATOM 189 CE2 TRP B 19 -33.791 17.583 13.040 1.00 26.26 C ATOM 190 CE3 TRP B 19 -32.804 19.258 11.590 1.00 25.84 C ATOM 191 CZ2 TRP B 19 -33.957 18.507 14.078 1.00 25.69 C ATOM 192 CZ3 TRP B 19 -32.974 20.177 12.618 1.00 25.92 C ATOM 193 CH2 TRP B 19 -33.548 19.797 13.849 1.00 26.15 C ATOM 194 HE1 TRP B 19 -34.531 15.698 13.759 1.00 0.00 H ATOM 195 H TRP B 19 -30.085 15.435 10.981 1.00 0.00 H ATOM 196 N MET B 20 -30.679 18.753 8.999 1.00 24.47 N ATOM 197 CA MET B 20 -29.956 19.956 9.238 1.00 24.43 C ATOM 198 C MET B 20 -30.627 21.084 8.478 1.00 24.17 C ATOM 199 O MET B 20 -31.224 20.864 7.416 1.00 23.07 O ATOM 200 CB MET B 20 -28.505 19.756 8.794 1.00 26.72 C ATOM 201 CG MET B 20 -27.619 20.981 8.895 1.00 29.81 C ATOM 202 SD MET B 20 -25.901 20.676 8.411 1.00 34.83 S ATOM 203 CE MET B 20 -26.007 20.519 6.628 1.00 33.89 C ATOM 204 H MET B 20 -31.405 18.704 8.256 1.00 0.00 H ATOM 205 N ASN B 21 -30.569 22.224 9.009 1.00 24.52 N ATOM 206 CA ASN B 21 -31.076 23.407 8.324 1.00 26.05 C ATOM 207 C ASN B 21 -30.201 24.621 8.575 1.00 25.69 C ATOM 208 O ASN B 21 -29.338 24.603 9.458 1.00 26.29 O ATOM 209 CB ASN B 21 -32.551 23.651 8.669 1.00 27.93 C ATOM 210 CG ASN B 21 -32.773 23.997 10.125 1.00 29.49 C ATOM 211 OD1 ASN B 21 -32.142 24.903 10.661 1.00 32.85 O ATOM 212 ND2 ASN B 21 -33.702 23.302 10.761 1.00 31.43 N ATOM 213 HD22 ASN B 21 -34.212 22.542 10.267 1.00 0.00 H ATOM 214 HD21 ASN B 21 -33.922 23.515 11.755 1.00 0.00 H ATOM 215 H ASN B 21 -30.151 22.324 9.956 1.00 0.00 H ATOM 216 N LEU B 22 -30.388 25.654 7.747 1.00 26.45 N ATOM 217 CA LEU B 22 -29.739 26.957 7.912 1.00 24.95 C ATOM 218 C LEU B 22 -30.799 28.050 7.913 1.00 26.66 C ATOM 219 O LEU B 22 -31.743 27.974 7.131 1.00 25.95 O ATOM 220 CB LEU B 22 -28.793 27.249 6.756 1.00 24.26 C ATOM 221 CG LEU B 22 -27.651 26.262 6.522 1.00 24.19 C ATOM 222 CD1 LEU B 22 -26.896 26.646 5.254 1.00 24.34 C ATOM 223 CD2 LEU B 22 -26.715 26.211 7.708 1.00 24.15 C ATOM 224 H LEU B 22 -31.031 25.525 6.940 1.00 0.00 H ATOM 225 N ARG B 23 -30.602 29.062 8.762 1.00 29.49 N ATOM 226 CA ARG B 23 -31.493 30.227 8.864 1.00 32.36 C ATOM 227 C ARG B 23 -30.699 31.534 8.865 1.00 32.52 C ATOM 228 O ARG B 23 -29.566 31.592 9.341 1.00 31.35 O ATOM 229 CB ARG B 23 -32.310 30.185 10.162 1.00 35.39 C ATOM 230 CG ARG B 23 -33.276 29.019 10.298 1.00 40.38 C ATOM 231 CD ARG B 23 -33.835 28.945 11.719 1.00 43.79 C ATOM 232 NE ARG B 23 -34.949 28.003 11.830 1.00 47.13 N ATOM 233 CZ ARG B 23 -34.843 26.716 12.173 1.00 51.48 C ATOM 234 NH1 ARG B 23 -33.662 26.170 12.458 1.00 53.98 N ATOM 235 NH2 ARG B 23 -35.935 25.959 12.237 1.00 52.62 N ATOM 236 HE ARG B 23 -35.902 28.365 11.625 1.00 0.00 H ATOM 237 HH12 ARG B 23 -33.604 25.166 12.723 1.00 0.00 H ATOM 238 HH11 ARG B 23 -32.798 26.748 12.416 1.00 0.00 H ATOM 239 HH22 ARG B 23 -35.858 24.957 12.503 1.00 0.00 H ATOM 240 HH21 ARG B 23 -36.866 26.370 12.021 1.00 0.00 H ATOM 241 H ARG B 23 -29.771 29.024 9.386 1.00 0.00 H ATOM 242 N ASP B 24 -31.308 32.592 8.336 1.00 34.70 N ATOM 243 CA ASP B 24 -30.824 33.947 8.559 1.00 35.29 C ATOM 244 C ASP B 24 -30.899 34.156 10.060 1.00 35.95 C ATOM 245 O ASP B 24 -31.955 33.953 10.659 1.00 36.35 O ATOM 246 CB ASP B 24 -31.729 34.953 7.830 1.00 37.27 C ATOM 247 CG ASP B 24 -31.142 36.368 7.762 1.00 38.12 C ATOM 248 OD1 ASP B 24 -30.366 36.786 8.648 1.00 40.31 O ATOM 249 OD2 ASP B 24 -31.494 37.080 6.800 1.00 40.83 O ATOM 250 H ASP B 24 -32.153 32.447 7.747 1.00 0.00 H ATOM 251 N ALA B 25 -29.781 34.527 10.673 1.00 37.49 N ATOM 252 CA ALA B 25 -29.743 34.715 12.120 1.00 40.16 C ATOM 253 C ALA B 25 -30.543 35.957 12.544 1.00 44.67 C ATOM 254 O ALA B 25 -31.195 35.948 13.592 1.00 48.29 O ATOM 255 CB ALA B 25 -28.307 34.797 12.614 1.00 39.90 C ATOM 256 H ALA B 25 -28.919 34.686 10.113 1.00 0.00 H ATOM 257 N GLU B 26 -30.516 37.005 11.719 1.00 45.29 N ATOM 258 CA GLU B 26 -31.249 38.243 12.020 1.00 44.93 C ATOM 259 C GLU B 26 -32.773 38.048 11.970 1.00 44.26 C ATOM 260 O GLU B 26 -33.489 38.488 12.869 1.00 45.53 O ATOM 261 CB GLU B 26 -30.824 39.358 11.069 1.00 43.95 C ATOM 262 H GLU B 26 -29.962 36.945 10.841 1.00 0.00 H ATOM 263 N THR B 27 -33.253 37.372 10.928 1.00 42.68 N ATOM 264 CA THR B 27 -34.689 37.226 10.669 1.00 41.41 C ATOM 265 C THR B 27 -35.274 35.863 11.062 1.00 41.53 C ATOM 266 O THR B 27 -36.498 35.725 11.199 1.00 41.72 O ATOM 267 CB THR B 27 -34.989 37.448 9.174 1.00 41.81 C ATOM 268 OG1 THR B 27 -34.486 36.340 8.412 1.00 40.35 O ATOM 269 CG2 THR B 27 -34.349 38.752 8.682 1.00 40.88 C ATOM 270 HG1 THR B 27 -34.680 36.486 7.452 1.00 0.00 H ATOM 271 H THR B 27 -32.581 36.929 10.270 1.00 0.00 H ATOM 272 N GLY B 28 -34.418 34.852 11.212 1.00 38.60 N ATOM 273 CA GLY B 28 -34.881 33.491 11.518 1.00 37.63 C ATOM 274 C GLY B 28 -35.448 32.731 10.331 1.00 36.50 C ATOM 275 O GLY B 28 -35.899 31.594 10.481 1.00 39.57 O ATOM 276 H GLY B 28 -33.399 35.031 11.110 1.00 0.00 H ATOM 277 N LYS B 29 -35.411 33.331 9.143 1.00 36.34 N ATOM 278 CA LYS B 29 -35.984 32.714 7.949 1.00 37.18 C ATOM 279 C LYS B 29 -35.097 31.539 7.499 1.00 35.90 C ATOM 280 O LYS B 29 -33.872 31.677 7.436 1.00 33.79 O ATOM 281 CB LYS B 29 -36.114 33.749 6.816 1.00 41.22 C ATOM 282 CG LYS B 29 -37.528 33.931 6.268 1.00 45.48 C ATOM 283 CD LYS B 29 -38.357 34.871 7.139 1.00 48.43 C ATOM 284 CE LYS B 29 -39.753 35.102 6.570 1.00 52.00 C ATOM 285 NZ LYS B 29 -39.774 36.023 5.392 1.00 53.68 N ATOM 286 HZ1 LYS B 29 -39.394 36.950 5.671 1.00 0.00 H ATOM 287 HZ2 LYS B 29 -39.190 35.623 4.630 1.00 0.00 H ATOM 288 HZ3 LYS B 29 -40.753 36.134 5.058 1.00 0.00 H ATOM 289 H LYS B 29 -34.961 34.265 9.063 1.00 0.00 H ATOM 290 N ILE B 30 -35.724 30.400 7.205 1.00 34.19 N ATOM 291 CA ILE B 30 -35.027 29.198 6.734 1.00 36.98 C ATOM 292 C ILE B 30 -34.517 29.388 5.302 1.00 34.89 C ATOM 293 O ILE B 30 -35.287 29.707 4.399 1.00 35.25 O ATOM 294 CB ILE B 30 -35.946 27.951 6.788 1.00 38.37 C ATOM 295 CG1 ILE B 30 -36.220 27.565 8.248 1.00 40.89 C ATOM 296 CG2 ILE B 30 -35.322 26.780 6.033 1.00 40.42 C ATOM 297 CD1 ILE B 30 -37.186 26.411 8.430 1.00 42.71 C ATOM 298 H ILE B 30 -36.757 30.362 7.315 1.00 0.00 H ATOM 299 N LEU B 31 -33.219 29.174 5.112 1.00 32.62 N ATOM 300 CA LEU B 31 -32.570 29.310 3.808 1.00 30.69 C ATOM 301 C LEU B 31 -32.328 27.966 3.141 1.00 30.33 C ATOM 302 O LEU B 31 -32.299 27.863 1.914 1.00 30.01 O ATOM 303 CB LEU B 31 -31.230 30.007 3.981 1.00 31.66 C ATOM 304 CG LEU B 31 -31.274 31.388 4.623 1.00 33.14 C ATOM 305 CD1 LEU B 31 -29.882 31.808 5.052 1.00 33.07 C ATOM 306 CD2 LEU B 31 -31.882 32.396 3.658 1.00 34.73 C ATOM 307 H LEU B 31 -32.638 28.897 5.929 1.00 0.00 H ATOM 308 N TRP B 32 -32.133 26.934 3.950 1.00 27.79 N ATOM 309 CA TRP B 32 -31.793 25.628 3.437 1.00 26.52 C ATOM 310 C TRP B 32 -32.160 24.576 4.477 1.00 27.32 C ATOM 311 O TRP B 32 -32.109 24.828 5.681 1.00 25.56 O ATOM 312 CB TRP B 32 -30.294 25.565 3.128 1.00 25.58 C ATOM 313 CG TRP B 32 -29.887 24.287 2.486 1.00 25.63 C ATOM 314 CD1 TRP B 32 -29.909 24.002 1.160 1.00 25.33 C ATOM 315 CD2 TRP B 32 -29.440 23.102 3.146 1.00 25.96 C ATOM 316 NE1 TRP B 32 -29.488 22.710 0.939 1.00 25.84 N ATOM 317 CE2 TRP B 32 -29.198 22.132 2.146 1.00 26.19 C ATOM 318 CE3 TRP B 32 -29.214 22.764 4.486 1.00 27.06 C ATOM 319 CZ2 TRP B 32 -28.731 20.852 2.442 1.00 26.36 C ATOM 320 CZ3 TRP B 32 -28.761 21.485 4.779 1.00 26.47 C ATOM 321 CH2 TRP B 32 -28.529 20.544 3.763 1.00 26.89 C ATOM 322 HE1 TRP B 32 -29.404 22.250 0.010 1.00 0.00 H ATOM 323 H TRP B 32 -32.227 27.068 4.977 1.00 0.00 H ATOM 324 N GLN B 33 -32.541 23.407 4.001 1.00 28.23 N ATOM 325 CA GLN B 33 -32.689 22.260 4.874 1.00 31.42 C ATOM 326 C GLN B 33 -32.509 20.990 4.083 1.00 29.65 C ATOM 327 O GLN B 33 -32.795 20.942 2.893 1.00 29.75 O ATOM 328 CB GLN B 33 -34.042 22.279 5.580 1.00 34.38 C ATOM 329 CG GLN B 33 -35.244 22.292 4.659 1.00 37.33 C ATOM 330 CD GLN B 33 -36.499 22.787 5.360 1.00 41.09 C ATOM 331 OE1 GLN B 33 -36.506 23.005 6.573 1.00 42.06 O ATOM 332 NE2 GLN B 33 -37.569 22.962 4.596 1.00 42.83 N ATOM 333 HE22 GLN B 33 -37.517 22.765 3.576 1.00 0.00 H ATOM 334 HE21 GLN B 33 -38.460 23.296 5.017 1.00 0.00 H ATOM 335 H GLN B 33 -32.738 23.307 2.985 1.00 0.00 H ATOM 336 N GLY B 34 -32.001 19.961 4.746 1.00 28.52 N ATOM 337 CA GLY B 34 -31.738 18.692 4.078 1.00 28.36 C ATOM 338 C GLY B 34 -31.761 17.547 5.062 1.00 28.40 C ATOM 339 O GLY B 34 -31.665 17.759 6.272 1.00 25.90 O ATOM 340 H GLY B 34 -31.787 20.060 5.759 1.00 0.00 H ATOM 341 N THR B 35 -31.917 16.339 4.534 1.00 30.02 N ATOM 342 CA THR B 35 -31.839 15.114 5.321 1.00 31.59 C ATOM 343 C THR B 35 -30.715 14.196 4.810 1.00 30.92 C ATOM 344 O THR B 35 -30.603 13.059 5.249 1.00 31.85 O ATOM 345 CB THR B 35 -33.183 14.339 5.300 1.00 33.07 C ATOM 346 OG1 THR B 35 -33.492 13.931 3.962 1.00 34.04 O ATOM 347 CG2 THR B 35 -34.324 15.195 5.835 1.00 33.16 C ATOM 348 HG1 THR B 35 -34.350 13.438 3.959 1.00 0.00 H ATOM 349 H THR B 35 -32.103 16.263 3.514 1.00 0.00 H ATOM 350 N GLU B 36 -29.897 14.675 3.874 1.00 30.14 N ATOM 351 CA GLU B 36 -28.768 13.882 3.382 1.00 30.86 C ATOM 352 C GLU B 36 -27.680 13.961 4.435 1.00 27.49 C ATOM 353 O GLU B 36 -27.376 15.045 4.927 1.00 27.52 O ATOM 354 CB GLU B 36 -28.230 14.419 2.053 1.00 32.86 C ATOM 355 CG GLU B 36 -27.101 13.573 1.459 1.00 36.01 C ATOM 356 CD GLU B 36 -26.455 14.190 0.225 1.00 38.73 C ATOM 357 OE1 GLU B 36 -27.113 15.029 -0.438 1.00 43.74 O ATOM 358 OE2 GLU B 36 -25.291 13.834 -0.087 1.00 35.51 O ATOM 359 H GLU B 36 -30.062 15.626 3.487 1.00 0.00 H ATOM 360 N ASP B 37 -27.094 12.826 4.788 1.00 24.25 N ATOM 361 CA ASP B 37 -26.006 12.843 5.744 1.00 23.28 C ATOM 362 C ASP B 37 -24.727 13.329 5.073 1.00 22.99 C ATOM 363 O ASP B 37 -23.960 12.555 4.522 1.00 19.83 O ATOM 364 CB ASP B 37 -25.796 11.477 6.384 1.00 23.38 C ATOM 365 CG ASP B 37 -24.763 11.518 7.485 1.00 23.78 C ATOM 366 OD1 ASP B 37 -24.007 12.505 7.543 1.00 24.36 O ATOM 367 OD2 ASP B 37 -24.707 10.577 8.304 1.00 25.97 O ATOM 368 H ASP B 37 -27.415 11.925 4.379 1.00 0.00 H ATOM 369 N LEU B 38 -24.496 14.633 5.175 1.00 24.98 N ATOM 370 CA LEU B 38 -23.331 15.275 4.572 1.00 25.31 C ATOM 371 C LEU B 38 -22.017 14.898 5.248 1.00 26.51 C ATOM 372 O LEU B 38 -20.948 15.210 4.720 1.00 29.32 O ATOM 373 CB LEU B 38 -23.513 16.805 4.602 1.00 26.46 C ATOM 374 CG LEU B 38 -24.720 17.341 3.838 1.00 26.77 C ATOM 375 CD1 LEU B 38 -24.745 18.873 3.870 1.00 27.91 C ATOM 376 CD2 LEU B 38 -24.749 16.822 2.411 1.00 27.47 C ATOM 377 H LEU B 38 -25.171 15.220 5.705 1.00 0.00 H ATOM 378 N SER B 39 -22.090 14.225 6.396 1.00 24.80 N ATOM 379 CA SER B 39 -20.900 13.810 7.129 1.00 24.90 C ATOM 380 C SER B 39 -20.217 12.561 6.541 1.00 23.12 C ATOM 381 O SER B 39 -19.075 12.254 6.882 1.00 20.97 O ATOM 382 CB SER B 39 -21.240 13.565 8.609 1.00 24.79 C ATOM 383 OG SER B 39 -21.829 12.293 8.837 1.00 27.15 O ATOM 384 HG SER B 39 -22.669 12.222 8.318 1.00 0.00 H ATOM 385 H SER B 39 -23.026 13.988 6.782 1.00 0.00 H ATOM 386 N VAL B 40 -20.909 11.842 5.661 1.00 21.79 N ATOM 387 CA VAL B 40 -20.378 10.580 5.140 1.00 20.56 C ATOM 388 C VAL B 40 -19.079 10.808 4.357 1.00 19.52 C ATOM 389 O VAL B 40 -19.058 11.583 3.399 1.00 20.14 O ATOM 390 CB VAL B 40 -21.413 9.845 4.263 1.00 20.62 C ATOM 391 CG1 VAL B 40 -20.811 8.582 3.675 1.00 20.53 C ATOM 392 CG2 VAL B 40 -22.654 9.512 5.076 1.00 21.30 C ATOM 393 H VAL B 40 -21.838 12.180 5.339 1.00 0.00 H ATOM 394 N PRO B 41 -17.986 10.141 4.760 1.00 19.24 N ATOM 395 CA PRO B 41 -16.715 10.425 4.103 1.00 19.41 C ATOM 396 C PRO B 41 -16.554 9.706 2.767 1.00 19.94 C ATOM 397 O PRO B 41 -17.311 8.778 2.454 1.00 19.69 O ATOM 398 CB PRO B 41 -15.679 9.952 5.122 1.00 19.72 C ATOM 399 CG PRO B 41 -16.371 8.910 5.907 1.00 19.54 C ATOM 400 CD PRO B 41 -17.812 9.316 5.968 1.00 19.15 C ATOM 401 N GLY B 42 -15.612 10.184 1.960 1.00 20.79 N ATOM 402 CA GLY B 42 -15.176 9.464 0.775 1.00 21.95 C ATOM 403 C GLY B 42 -15.978 9.680 -0.497 1.00 23.37 C ATOM 404 O GLY B 42 -15.586 9.181 -1.555 1.00 25.76 O ATOM 405 H GLY B 42 -15.174 11.100 2.183 1.00 0.00 H ATOM 406 N VAL B 43 -17.108 10.380 -0.398 1.00 23.92 N ATOM 407 CA VAL B 43 -17.888 10.786 -1.565 1.00 24.97 C ATOM 408 C VAL B 43 -18.055 12.304 -1.526 1.00 23.84 C ATOM 409 O VAL B 43 -18.154 12.907 -0.455 1.00 23.67 O ATOM 410 CB VAL B 43 -19.275 10.071 -1.639 1.00 25.86 C ATOM 411 CG1 VAL B 43 -19.100 8.562 -1.739 1.00 27.74 C ATOM 412 CG2 VAL B 43 -20.146 10.410 -0.439 1.00 27.36 C ATOM 413 H VAL B 43 -17.448 10.648 0.548 1.00 0.00 H ATOM 414 N GLU B 44 -18.027 12.939 -2.684 1.00 23.57 N ATOM 415 CA GLU B 44 -18.256 14.368 -2.724 1.00 24.03 C ATOM 416 C GLU B 44 -19.744 14.654 -2.738 1.00 22.76 C ATOM 417 O GLU B 44 -20.422 14.394 -3.721 1.00 23.75 O ATOM 418 CB GLU B 44 -17.595 15.016 -3.929 1.00 25.97 C ATOM 419 CG GLU B 44 -17.774 16.531 -3.947 1.00 27.16 C ATOM 420 CD GLU B 44 -17.120 17.149 -5.147 1.00 28.11 C ATOM 421 OE1 GLU B 44 -15.877 17.273 -5.116 1.00 28.77 O ATOM 422 OE2 GLU B 44 -17.857 17.499 -6.106 1.00 29.37 O ATOM 423 H GLU B 44 -17.841 12.415 -3.563 1.00 0.00 H ATOM 424 N HIS B 45 -20.234 15.217 -1.645 1.00 20.32 N ATOM 425 CA HIS B 45 -21.603 15.649 -1.546 1.00 19.35 C ATOM 426 C HIS B 45 -21.810 16.963 -2.300 1.00 20.29 C ATOM 427 O HIS B 45 -20.856 17.698 -2.537 1.00 19.45 O ATOM 428 CB HIS B 45 -21.972 15.848 -0.079 1.00 18.91 C ATOM 429 CG HIS B 45 -21.764 14.627 0.763 1.00 19.30 C ATOM 430 ND1 HIS B 45 -22.697 13.614 0.848 1.00 19.88 N ATOM 431 CD2 HIS B 45 -20.722 14.246 1.539 1.00 18.82 C ATOM 432 CE1 HIS B 45 -22.242 12.671 1.657 1.00 19.20 C ATOM 433 NE2 HIS B 45 -21.038 13.022 2.071 1.00 19.45 N ATOM 434 H HIS B 45 -19.606 15.352 -0.827 1.00 0.00 H ATOM 435 N GLU B 46 -23.055 17.231 -2.674 1.00 20.89 N ATOM 436 CA GLU B 46 -23.441 18.491 -3.315 1.00 22.63 C ATOM 437 C GLU B 46 -24.582 19.113 -2.554 1.00 22.77 C ATOM 438 O GLU B 46 -25.492 18.415 -2.086 1.00 22.64 O ATOM 439 CB GLU B 46 -23.914 18.262 -4.755 1.00 24.63 C ATOM 440 CG GLU B 46 -22.861 17.672 -5.661 1.00 27.15 C ATOM 441 CD GLU B 46 -23.349 17.463 -7.088 1.00 31.66 C ATOM 442 OE1 GLU B 46 -24.577 17.301 -7.308 1.00 34.16 O ATOM 443 OE2 GLU B 46 -22.489 17.447 -7.997 1.00 35.21 O ATOM 444 H GLU B 46 -23.790 16.515 -2.505 1.00 0.00 H ATOM 445 N ALA B 47 -24.573 20.436 -2.452 1.00 21.05 N ATOM 446 CA ALA B 47 -25.710 21.134 -1.883 1.00 20.63 C ATOM 447 C ALA B 47 -25.969 22.425 -2.636 1.00 21.22 C ATOM 448 O ALA B 47 -25.033 23.110 -3.045 1.00 19.37 O ATOM 449 CB ALA B 47 -25.468 21.421 -0.411 1.00 20.50 C ATOM 450 H ALA B 47 -23.747 20.975 -2.782 1.00 0.00 H ATOM 451 N ARG B 48 -27.248 22.743 -2.793 1.00 21.90 N ATOM 452 CA ARG B 48 -27.684 23.953 -3.447 1.00 24.09 C ATOM 453 C ARG B 48 -28.273 24.889 -2.419 1.00 23.21 C ATOM 454 O ARG B 48 -29.229 24.533 -1.753 1.00 23.74 O ATOM 455 CB ARG B 48 -28.722 23.610 -4.508 1.00 26.28 C ATOM 456 CG ARG B 48 -28.147 22.798 -5.652 1.00 29.35 C ATOM 457 CD ARG B 48 -29.145 21.861 -6.318 1.00 32.89 C ATOM 458 NE ARG B 48 -30.404 22.525 -6.634 1.00 36.08 N ATOM 459 CZ ARG B 48 -31.333 22.032 -7.457 1.00 39.62 C ATOM 460 NH1 ARG B 48 -32.447 22.726 -7.675 1.00 40.50 N ATOM 461 NH2 ARG B 48 -31.150 20.867 -8.078 1.00 38.92 N ATOM 462 HE ARG B 48 -30.591 23.446 -6.188 1.00 0.00 H ATOM 463 HH12 ARG B 48 -33.177 22.351 -8.314 1.00 0.00 H ATOM 464 HH11 ARG B 48 -32.588 23.644 -7.206 1.00 0.00 H ATOM 465 HH22 ARG B 48 -31.883 20.497 -8.716 1.00 0.00 H ATOM 466 HH21 ARG B 48 -30.274 20.328 -7.925 1.00 0.00 H ATOM 467 H ARG B 48 -27.970 22.089 -2.428 1.00 0.00 H ATOM 468 N VAL B 49 -27.699 26.084 -2.299 1.00 22.78 N ATOM 469 CA VAL B 49 -28.133 27.073 -1.323 1.00 23.47 C ATOM 470 C VAL B 49 -28.511 28.377 -2.010 1.00 24.14 C ATOM 471 O VAL B 49 -27.935 28.726 -3.038 1.00 22.52 O ATOM 472 CB VAL B 49 -27.048 27.370 -0.260 1.00 23.43 C ATOM 473 CG1 VAL B 49 -26.675 26.094 0.470 1.00 23.69 C ATOM 474 CG2 VAL B 49 -25.816 28.002 -0.877 1.00 23.37 C ATOM 475 H VAL B 49 -26.907 26.321 -2.929 1.00 0.00 H ATOM 476 N PRO B 50 -29.484 29.100 -1.446 1.00 25.13 N ATOM 477 CA PRO B 50 -29.872 30.343 -2.097 1.00 25.88 C ATOM 478 C PRO B 50 -28.755 31.373 -2.023 1.00 26.64 C ATOM 479 O PRO B 50 -28.101 31.525 -0.990 1.00 25.19 O ATOM 480 CB PRO B 50 -31.118 30.796 -1.324 1.00 26.81 C ATOM 481 CG PRO B 50 -31.101 30.037 -0.048 1.00 26.93 C ATOM 482 CD PRO B 50 -30.308 28.789 -0.264 1.00 26.04 C ATOM 483 N LYS B 51 -28.533 32.071 -3.126 1.00 27.70 N ATOM 484 CA LYS B 51 -27.453 33.041 -3.197 1.00 29.83 C ATOM 485 C LYS B 51 -27.570 34.157 -2.169 1.00 28.58 C ATOM 486 O LYS B 51 -26.566 34.766 -1.811 1.00 27.23 O ATOM 487 CB LYS B 51 -27.354 33.639 -4.605 1.00 33.37 C ATOM 488 CG LYS B 51 -28.610 34.337 -5.092 1.00 35.61 C ATOM 489 CD LYS B 51 -28.388 34.971 -6.460 1.00 38.77 C ATOM 490 CE LYS B 51 -28.141 33.919 -7.526 1.00 41.77 C ATOM 491 NZ LYS B 51 -28.399 34.452 -8.901 1.00 45.85 N ATOM 492 HZ1 LYS B 51 -29.389 34.763 -8.971 1.00 0.00 H ATOM 493 HZ2 LYS B 51 -27.767 35.258 -9.083 1.00 0.00 H ATOM 494 HZ3 LYS B 51 -28.219 33.704 -9.601 1.00 0.00 H ATOM 495 H LYS B 51 -29.142 31.923 -3.956 1.00 0.00 H ATOM 496 N LYS B 52 -28.777 34.433 -1.689 1.00 30.09 N ATOM 497 CA LYS B 52 -28.944 35.478 -0.674 1.00 31.92 C ATOM 498 C LYS B 52 -28.244 35.151 0.647 1.00 29.58 C ATOM 499 O LYS B 52 -27.960 36.047 1.435 1.00 28.19 O ATOM 500 CB LYS B 52 -30.427 35.823 -0.445 1.00 36.37 C ATOM 501 CG LYS B 52 -31.295 34.734 0.168 1.00 40.30 C ATOM 502 CD LYS B 52 -32.715 35.264 0.359 1.00 45.12 C ATOM 503 CE LYS B 52 -33.665 34.223 0.939 1.00 47.57 C ATOM 504 NZ LYS B 52 -34.047 33.171 -0.046 1.00 48.92 N ATOM 505 HZ1 LYS B 52 -34.521 33.614 -0.859 1.00 0.00 H ATOM 506 HZ2 LYS B 52 -33.193 32.674 -0.370 1.00 0.00 H ATOM 507 HZ3 LYS B 52 -34.693 32.493 0.406 1.00 0.00 H ATOM 508 H LYS B 52 -29.605 33.907 -2.034 1.00 0.00 H ATOM 509 N ILE B 53 -27.924 33.875 0.878 1.00 27.53 N ATOM 510 CA ILE B 53 -27.144 33.500 2.053 1.00 26.45 C ATOM 511 C ILE B 53 -25.837 34.285 2.151 1.00 25.81 C ATOM 512 O ILE B 53 -25.367 34.563 3.246 1.00 24.67 O ATOM 513 CB ILE B 53 -26.829 31.974 2.100 1.00 26.21 C ATOM 514 CG1 ILE B 53 -26.341 31.580 3.501 1.00 26.74 C ATOM 515 CG2 ILE B 53 -25.794 31.574 1.052 1.00 26.05 C ATOM 516 CD1 ILE B 53 -26.279 30.085 3.705 1.00 26.86 C ATOM 517 H ILE B 53 -28.235 33.139 0.212 1.00 0.00 H ATOM 518 N LEU B 54 -25.262 34.651 1.003 1.00 25.97 N ATOM 519 CA LEU B 54 -24.003 35.396 0.976 1.00 26.27 C ATOM 520 C LEU B 54 -24.154 36.837 1.479 1.00 26.93 C ATOM 521 O LEU B 54 -23.160 37.484 1.818 1.00 26.07 O ATOM 522 CB LEU B 54 -23.408 35.385 -0.438 1.00 25.59 C ATOM 523 CG LEU B 54 -23.097 33.993 -1.010 1.00 25.82 C ATOM 524 CD1 LEU B 54 -22.946 34.031 -2.524 1.00 26.39 C ATOM 525 CD2 LEU B 54 -21.852 33.393 -0.370 1.00 24.79 C ATOM 526 H LEU B 54 -25.721 34.400 0.104 1.00 0.00 H ATOM 527 N LYS B 55 -25.393 37.318 1.536 1.00 29.35 N ATOM 528 CA LYS B 55 -25.708 38.653 2.051 1.00 32.47 C ATOM 529 C LYS B 55 -26.026 38.632 3.557 1.00 34.17 C ATOM 530 O LYS B 55 -26.116 39.692 4.172 1.00 33.55 O ATOM 531 CB LYS B 55 -26.913 39.247 1.313 1.00 32.91 C ATOM 532 CG LYS B 55 -26.833 39.241 -0.204 1.00 35.32 C ATOM 533 CD LYS B 55 -25.843 40.263 -0.724 1.00 38.24 C ATOM 534 CE LYS B 55 -25.972 40.432 -2.235 1.00 40.58 C ATOM 535 NZ LYS B 55 -25.194 41.597 -2.736 1.00 42.16 N ATOM 536 HZ1 LYS B 55 -25.541 42.466 -2.281 1.00 0.00 H ATOM 537 HZ2 LYS B 55 -24.188 41.464 -2.509 1.00 0.00 H ATOM 538 HZ3 LYS B 55 -25.311 41.673 -3.767 1.00 0.00 H ATOM 539 H LYS B 55 -26.174 36.719 1.200 1.00 0.00 H ATOM 540 N CYS B 56 -26.214 37.446 4.147 1.00 35.32 N ATOM 541 CA CYS B 56 -26.477 37.345 5.593 1.00 35.03 C ATOM 542 C CYS B 56 -25.247 37.714 6.382 1.00 35.16 C ATOM 543 O CYS B 56 -24.170 37.188 6.117 1.00 36.38 O ATOM 544 CB CYS B 56 -26.869 35.932 5.997 1.00 34.70 C ATOM 545 SG CYS B 56 -28.421 35.408 5.285 1.00 36.94 S ATOM 546 H CYS B 56 -26.174 36.579 3.574 1.00 0.00 H ATOM 547 N LYS B 57 -25.413 38.595 7.368 1.00 35.04 N ATOM 548 CA LYS B 57 -24.337 38.900 8.297 1.00 36.74 C ATOM 549 C LYS B 57 -24.013 37.663 9.143 1.00 34.87 C ATOM 550 O LYS B 57 -22.851 37.401 9.449 1.00 35.71 O ATOM 551 CB LYS B 57 -24.703 40.074 9.202 1.00 39.92 C ATOM 552 CG LYS B 57 -23.490 40.673 9.888 1.00 43.84 C ATOM 553 CD LYS B 57 -23.829 41.909 10.708 1.00 46.62 C ATOM 554 CE LYS B 57 -22.588 42.768 10.921 1.00 48.94 C ATOM 555 NZ LYS B 57 -22.494 43.277 12.315 1.00 50.51 N ATOM 556 HZ1 LYS B 57 -23.331 43.856 12.528 1.00 0.00 H ATOM 557 HZ2 LYS B 57 -22.450 42.474 12.974 1.00 0.00 H ATOM 558 HZ3 LYS B 57 -21.636 43.856 12.414 1.00 0.00 H ATOM 559 H LYS B 57 -26.330 39.074 7.475 1.00 0.00 H ATOM 560 N ALA B 58 -25.043 36.908 9.508 1.00 31.43 N ATOM 561 CA ALA B 58 -24.847 35.695 10.278 1.00 31.86 C ATOM 562 C ALA B 58 -25.877 34.622 9.936 1.00 31.67 C ATOM 563 O ALA B 58 -27.047 34.913 9.638 1.00 30.67 O ATOM 564 CB ALA B 58 -24.853 36.008 11.768 1.00 33.50 C ATOM 565 H ALA B 58 -26.006 37.192 9.237 1.00 0.00 H ATOM 566 N VAL B 59 -25.420 33.370 9.967 1.00 30.17 N ATOM 567 CA VAL B 59 -26.253 32.236 9.632 1.00 29.65 C ATOM 568 C VAL B 59 -26.348 31.298 10.837 1.00 29.18 C ATOM 569 O VAL B 59 -25.328 30.953 11.438 1.00 29.35 O ATOM 570 CB VAL B 59 -25.666 31.462 8.439 1.00 30.27 C ATOM 571 CG1 VAL B 59 -26.464 30.189 8.176 1.00 31.39 C ATOM 572 CG2 VAL B 59 -25.618 32.354 7.202 1.00 31.69 C ATOM 573 H VAL B 59 -24.431 33.203 10.241 1.00 0.00 H ATOM 574 N SER B 60 -27.571 30.904 11.175 1.00 28.16 N ATOM 575 CA SER B 60 -27.816 29.940 12.242 1.00 30.44 C ATOM 576 C SER B 60 -28.005 28.535 11.668 1.00 27.99 C ATOM 577 O SER B 60 -28.878 28.318 10.823 1.00 27.99 O ATOM 578 CB SER B 60 -29.066 30.327 13.047 1.00 30.62 C ATOM 579 OG SER B 60 -29.125 29.576 14.251 1.00 34.81 O ATOM 580 HG SER B 60 -29.934 29.834 14.760 1.00 0.00 H ATOM 581 H SER B 60 -28.384 31.298 10.660 1.00 0.00 H ATOM 582 N ARG B 61 -27.217 27.581 12.161 1.00 26.66 N ATOM 583 CA ARG B 61 -27.314 26.195 11.721 1.00 25.40 C ATOM 584 C ARG B 61 -27.839 25.285 12.834 1.00 25.40 C ATOM 585 O ARG B 61 -27.400 25.396 13.974 1.00 24.95 O ATOM 586 CB ARG B 61 -25.933 25.707 11.281 1.00 25.05 C ATOM 587 CG ARG B 61 -25.897 24.261 10.819 1.00 25.07 C ATOM 588 CD ARG B 61 -24.516 23.941 10.300 1.00 24.84 C ATOM 589 NE ARG B 61 -23.539 23.823 11.380 1.00 24.38 N ATOM 590 CZ ARG B 61 -22.228 23.975 11.231 1.00 23.92 C ATOM 591 NH1 ARG B 61 -21.705 24.271 10.038 1.00 24.52 N ATOM 592 NH2 ARG B 61 -21.430 23.844 12.283 1.00 23.84 N ATOM 593 HE ARG B 61 -23.895 23.605 12.332 1.00 0.00 H ATOM 594 HH12 ARG B 61 -20.677 24.387 9.935 1.00 0.00 H ATOM 595 HH11 ARG B 61 -22.326 24.385 9.212 1.00 0.00 H ATOM 596 HH22 ARG B 61 -20.402 23.962 12.174 1.00 0.00 H ATOM 597 HH21 ARG B 61 -21.832 23.624 13.216 1.00 0.00 H ATOM 598 H ARG B 61 -26.511 27.833 12.882 1.00 0.00 H ATOM 599 N GLU B 62 -28.785 24.411 12.487 1.00 26.44 N ATOM 600 CA GLU B 62 -29.258 23.349 13.361 1.00 27.83 C ATOM 601 C GLU B 62 -28.857 22.023 12.739 1.00 27.44 C ATOM 602 O GLU B 62 -29.200 21.764 11.588 1.00 27.70 O ATOM 603 CB GLU B 62 -30.779 23.364 13.465 1.00 30.82 C ATOM 604 CG GLU B 62 -31.365 24.132 14.623 1.00 33.19 C ATOM 605 CD GLU B 62 -32.794 23.684 14.911 1.00 35.24 C ATOM 606 OE1 GLU B 62 -33.598 23.588 13.955 1.00 36.69 O ATOM 607 OE2 GLU B 62 -33.108 23.419 16.094 1.00 39.48 O ATOM 608 H GLU B 62 -29.207 24.493 11.540 1.00 0.00 H ATOM 609 N LEU B 63 -28.363 21.204 13.482 1.00 26.29 N ATOM 610 CA LEU B 63 -27.725 20.033 12.878 1.00 27.58 C ATOM 611 C LEU B 63 -28.260 18.841 13.647 1.00 25.76 C ATOM 612 O LEU B 63 -28.025 18.767 14.844 1.00 27.17 O ATOM 613 CB LEU B 63 -26.211 20.103 13.122 1.00 29.74 C ATOM 614 CG LEU B 63 -25.276 19.116 12.454 1.00 33.19 C ATOM 615 CD1 LEU B 63 -23.991 19.853 12.191 1.00 34.71 C ATOM 616 CD2 LEU B 63 -24.972 17.914 13.325 1.00 34.94 C ATOM 617 H LEU B 63 -28.391 21.328 14.514 1.00 0.00 H ATOM 618 N ASN B 64 -28.971 17.925 13.501 1.00 24.28 N ATOM 619 CA ASN B 64 -29.456 16.838 14.356 1.00 23.33 C ATOM 620 C ASN B 64 -28.690 15.538 14.071 1.00 21.68 C ATOM 621 O ASN B 64 -28.657 15.074 12.939 1.00 20.79 O ATOM 622 CB ASN B 64 -30.956 16.641 14.182 1.00 22.71 C ATOM 623 CG ASN B 64 -31.512 15.541 15.067 1.00 23.91 C ATOM 624 OD1 ASN B 64 -31.426 14.370 14.727 1.00 23.36 O ATOM 625 ND2 ASN B 64 -32.102 15.918 16.200 1.00 23.39 N ATOM 626 HD22 ASN B 64 -32.152 16.926 16.450 1.00 0.00 H ATOM 627 HD21 ASN B 64 -32.512 15.204 16.835 1.00 0.00 H ATOM 628 H ASN B 64 -29.350 17.868 12.534 1.00 0.00 H ATOM 629 N PHE B 65 -28.070 14.972 15.102 1.00 20.02 N ATOM 630 CA PHE B 65 -27.242 13.786 14.933 1.00 19.22 C ATOM 631 C PHE B 65 -27.516 12.733 16.003 1.00 19.26 C ATOM 632 O PHE B 65 -27.961 13.050 17.117 1.00 19.54 O ATOM 633 CB PHE B 65 -25.752 14.158 14.923 1.00 19.55 C ATOM 634 CG PHE B 65 -25.227 14.633 16.245 1.00 19.45 C ATOM 635 CD1 PHE B 65 -25.313 15.973 16.602 1.00 20.20 C ATOM 636 CD2 PHE B 65 -24.624 13.744 17.131 1.00 19.90 C ATOM 637 CE1 PHE B 65 -24.825 16.417 17.821 1.00 20.12 C ATOM 638 CE2 PHE B 65 -24.138 14.181 18.361 1.00 20.19 C ATOM 639 CZ PHE B 65 -24.242 15.526 18.702 1.00 21.34 C ATOM 640 H PHE B 65 -28.179 15.385 16.050 1.00 0.00 H ATOM 641 N SER B 66 -27.235 11.477 15.646 1.00 18.72 N ATOM 642 CA SER B 66 -27.310 10.352 16.577 1.00 18.63 C ATOM 643 C SER B 66 -25.923 9.732 16.716 1.00 17.71 C ATOM 644 O SER B 66 -25.144 9.724 15.761 1.00 16.33 O ATOM 645 CB SER B 66 -28.280 9.301 16.046 1.00 19.46 C ATOM 646 OG SER B 66 -29.541 9.888 15.763 1.00 20.81 O ATOM 647 HG SER B 66 -29.914 10.282 16.591 1.00 0.00 H ATOM 648 H SER B 66 -26.950 11.291 14.663 1.00 0.00 H ATOM 649 N SER B 67 -25.615 9.204 17.899 1.00 17.60 N ATOM 650 CA SER B 67 -24.333 8.542 18.116 1.00 17.19 C ATOM 651 C SER B 67 -24.476 7.377 19.082 1.00 17.55 C ATOM 652 O SER B 67 -24.893 7.566 20.220 1.00 17.81 O ATOM 653 CB SER B 67 -23.336 9.545 18.697 1.00 16.68 C ATOM 654 OG SER B 67 -22.078 8.950 18.915 1.00 17.11 O ATOM 655 HG SER B 67 -21.721 8.612 18.056 1.00 0.00 H ATOM 656 H SER B 67 -26.299 9.264 18.680 1.00 0.00 H ATOM 657 N THR B 68 -24.109 6.180 18.654 1.00 18.11 N ATOM 658 CA THR B 68 -24.168 5.041 19.561 1.00 18.47 C ATOM 659 C THR B 68 -23.063 5.179 20.595 1.00 19.06 C ATOM 660 O THR B 68 -23.226 4.773 21.739 1.00 19.88 O ATOM 661 CB THR B 68 -24.047 3.679 18.839 1.00 18.40 C ATOM 662 OG1 THR B 68 -22.748 3.555 18.267 1.00 18.70 O ATOM 663 CG2 THR B 68 -25.105 3.540 17.741 1.00 19.19 C ATOM 664 HG1 THR B 68 -22.067 3.610 18.983 1.00 0.00 H ATOM 665 H THR B 68 -23.780 6.053 17.676 1.00 0.00 H ATOM 666 N GLU B 69 -21.944 5.777 20.186 1.00 19.20 N ATOM 667 CA GLU B 69 -20.784 5.918 21.042 1.00 19.40 C ATOM 668 C GLU B 69 -20.811 7.192 21.875 1.00 19.15 C ATOM 669 O GLU B 69 -21.216 8.271 21.408 1.00 17.25 O ATOM 670 CB GLU B 69 -19.487 5.900 20.208 1.00 20.02 C ATOM 671 CG GLU B 69 -19.289 4.616 19.409 1.00 20.20 C ATOM 672 CD GLU B 69 -19.535 3.369 20.237 1.00 20.27 C ATOM 673 OE1 GLU B 69 -18.691 3.052 21.095 1.00 20.61 O ATOM 674 OE2 GLU B 69 -20.578 2.706 20.031 1.00 20.23 O ATOM 675 H GLU B 69 -21.902 6.156 19.218 1.00 0.00 H ATOM 676 N GLN B 70 -20.350 7.051 23.112 1.00 18.50 N ATOM 677 CA GLN B 70 -20.097 8.186 23.960 1.00 18.13 C ATOM 678 C GLN B 70 -18.919 8.982 23.390 1.00 18.01 C ATOM 679 O GLN B 70 -17.962 8.397 22.906 1.00 16.87 O ATOM 680 CB GLN B 70 -19.735 7.709 25.357 1.00 18.82 C ATOM 681 CG GLN B 70 -19.446 8.839 26.343 1.00 18.39 C ATOM 682 CD GLN B 70 -19.341 8.312 27.770 1.00 18.04 C ATOM 683 OE1 GLN B 70 -20.288 7.750 28.292 1.00 17.66 O ATOM 684 NE2 GLN B 70 -18.189 8.468 28.376 1.00 18.37 N ATOM 685 HE22 GLN B 70 -17.408 8.955 27.891 1.00 0.00 H ATOM 686 HE21 GLN B 70 -18.056 8.105 29.342 1.00 0.00 H ATOM 687 H GLN B 70 -20.167 6.095 23.478 1.00 0.00 H ATOM 688 N MET B 71 -19.015 10.309 23.432 1.00 17.96 N ATOM 689 CA MET B 71 -17.889 11.174 23.110 1.00 19.44 C ATOM 690 C MET B 71 -17.680 12.179 24.225 1.00 20.65 C ATOM 691 O MET B 71 -18.641 12.705 24.784 1.00 21.39 O ATOM 692 CB MET B 71 -18.097 11.920 21.792 1.00 19.50 C ATOM 693 CG MET B 71 -17.996 11.025 20.567 1.00 20.21 C ATOM 694 SD MET B 71 -18.134 11.928 19.005 1.00 21.63 S ATOM 695 CE MET B 71 -19.889 11.923 18.717 1.00 20.64 C ATOM 696 H MET B 71 -19.921 10.741 23.703 1.00 0.00 H ATOM 697 N GLU B 72 -16.412 12.457 24.497 1.00 23.44 N ATOM 698 CA GLU B 72 -16.007 13.328 25.585 1.00 27.01 C ATOM 699 C GLU B 72 -16.070 14.791 25.145 1.00 26.45 C ATOM 700 O GLU B 72 -16.566 15.645 25.878 1.00 25.02 O ATOM 701 CB GLU B 72 -14.592 12.956 26.029 1.00 33.30 C ATOM 702 CG GLU B 72 -14.313 13.184 27.510 1.00 41.80 C ATOM 703 CD GLU B 72 -13.431 12.096 28.116 1.00 48.37 C ATOM 704 OE1 GLU B 72 -13.822 11.537 29.163 1.00 53.59 O ATOM 705 OE2 GLU B 72 -12.358 11.790 27.539 1.00 53.62 O ATOM 706 H GLU B 72 -15.673 12.031 23.902 1.00 0.00 H ATOM 707 N LYS B 73 -15.575 15.071 23.946 1.00 24.35 N ATOM 708 CA LYS B 73 -15.580 16.432 23.414 1.00 25.20 C ATOM 709 C LYS B 73 -15.804 16.424 21.903 1.00 22.08 C ATOM 710 O LYS B 73 -14.885 16.604 21.124 1.00 22.14 O ATOM 711 CB LYS B 73 -14.288 17.169 23.761 1.00 27.73 C ATOM 712 CG LYS B 73 -14.374 18.667 23.453 1.00 32.40 C ATOM 713 CD LYS B 73 -13.111 19.425 23.826 1.00 36.42 C ATOM 714 CE LYS B 73 -13.077 19.810 25.295 1.00 39.52 C ATOM 715 NZ LYS B 73 -12.006 20.831 25.527 1.00 42.41 N ATOM 716 HZ1 LYS B 73 -11.085 20.433 25.254 1.00 0.00 H ATOM 717 HZ2 LYS B 73 -12.204 21.676 24.954 1.00 0.00 H ATOM 718 HZ3 LYS B 73 -11.988 21.090 26.534 1.00 0.00 H ATOM 719 H LYS B 73 -15.174 14.303 23.371 1.00 0.00 H ATOM 720 N PHE B 74 -17.046 16.206 21.512 1.00 21.25 N ATOM 721 CA PHE B 74 -17.412 16.233 20.097 1.00 20.55 C ATOM 722 C PHE B 74 -17.271 17.672 19.576 1.00 20.47 C ATOM 723 O PHE B 74 -17.762 18.611 20.190 1.00 21.01 O ATOM 724 CB PHE B 74 -18.828 15.699 19.924 1.00 19.18 C ATOM 725 CG PHE B 74 -19.330 15.697 18.504 1.00 18.88 C ATOM 726 CD1 PHE B 74 -18.531 15.261 17.460 1.00 18.46 C ATOM 727 CD2 PHE B 74 -20.640 16.084 18.226 1.00 18.69 C ATOM 728 CE1 PHE B 74 -19.012 15.242 16.162 1.00 18.32 C ATOM 729 CE2 PHE B 74 -21.129 16.060 16.925 1.00 19.17 C ATOM 730 CZ PHE B 74 -20.311 15.643 15.897 1.00 18.30 C ATOM 731 H PHE B 74 -17.778 16.011 22.224 1.00 0.00 H ATOM 732 N ARG B 75 -16.571 17.834 18.458 1.00 20.41 N ATOM 733 CA ARG B 75 -16.386 19.151 17.864 1.00 20.24 C ATOM 734 C ARG B 75 -16.128 19.029 16.365 1.00 19.80 C ATOM 735 O ARG B 75 -15.809 17.954 15.852 1.00 18.40 O ATOM 736 CB ARG B 75 -15.224 19.877 18.536 1.00 20.28 C ATOM 737 CG ARG B 75 -13.887 19.184 18.391 1.00 21.12 C ATOM 738 CD ARG B 75 -12.737 19.938 19.046 1.00 21.54 C ATOM 739 NE ARG B 75 -11.474 19.324 18.653 1.00 22.46 N ATOM 740 CZ ARG B 75 -10.714 19.674 17.613 1.00 24.40 C ATOM 741 NH1 ARG B 75 -11.043 20.698 16.825 1.00 24.42 N ATOM 742 NH2 ARG B 75 -9.594 18.989 17.360 1.00 24.53 N ATOM 743 HE ARG B 75 -11.132 18.537 19.240 1.00 0.00 H ATOM 744 HH12 ARG B 75 -10.435 20.952 16.021 1.00 0.00 H ATOM 745 HH11 ARG B 75 -11.908 21.243 17.015 1.00 0.00 H ATOM 746 HH22 ARG B 75 -8.994 19.253 16.552 1.00 0.00 H ATOM 747 HH21 ARG B 75 -9.323 18.192 17.971 1.00 0.00 H ATOM 748 H ARG B 75 -16.147 17.003 17.998 1.00 0.00 H ATOM 749 N LEU B 76 -16.240 20.157 15.680 1.00 20.44 N ATOM 750 CA LEU B 76 -16.029 20.208 14.251 1.00 20.81 C ATOM 751 C LEU B 76 -15.021 21.281 13.902 1.00 20.27 C ATOM 752 O LEU B 76 -14.937 22.318 14.570 1.00 20.51 O ATOM 753 CB LEU B 76 -17.340 20.531 13.528 1.00 23.09 C ATOM 754 CG LEU B 76 -18.527 19.603 13.697 1.00 24.40 C ATOM 755 CD1 LEU B 76 -19.702 20.143 12.887 1.00 25.67 C ATOM 756 CD2 LEU B 76 -18.181 18.186 13.278 1.00 25.86 C ATOM 757 H LEU B 76 -16.487 21.032 16.185 1.00 0.00 H ATOM 758 N GLU B 77 -14.253 21.010 12.858 1.00 20.16 N ATOM 759 CA GLU B 77 -13.440 22.014 12.202 1.00 20.91 C ATOM 760 C GLU B 77 -13.947 22.057 10.763 1.00 20.80 C ATOM 761 O GLU B 77 -14.115 21.009 10.136 1.00 19.34 O ATOM 762 CB GLU B 77 -11.966 21.629 12.240 1.00 22.30 C ATOM 763 CG GLU B 77 -11.367 21.592 13.643 1.00 24.44 C ATOM 764 CD GLU B 77 -9.851 21.362 13.667 1.00 24.96 C ATOM 765 OE1 GLU B 77 -9.224 21.167 12.596 1.00 26.61 O ATOM 766 OE2 GLU B 77 -9.285 21.348 14.784 1.00 24.80 O ATOM 767 H GLU B 77 -14.232 20.036 12.494 1.00 0.00 H ATOM 768 N GLN B 78 -14.212 23.255 10.255 1.00 19.98 N ATOM 769 CA GLN B 78 -14.681 23.403 8.889 1.00 20.45 C ATOM 770 C GLN B 78 -13.846 24.436 8.147 1.00 20.83 C ATOM 771 O GLN B 78 -13.561 25.495 8.690 1.00 20.67 O ATOM 772 CB GLN B 78 -16.142 23.828 8.868 1.00 20.48 C ATOM 773 CG GLN B 78 -17.082 22.762 9.371 1.00 21.70 C ATOM 774 CD GLN B 78 -18.521 23.168 9.231 1.00 22.21 C ATOM 775 OE1 GLN B 78 -18.963 24.118 9.857 1.00 23.71 O ATOM 776 NE2 GLN B 78 -19.263 22.448 8.411 1.00 24.08 N ATOM 777 HE22 GLN B 78 -18.843 21.647 7.898 1.00 0.00 H ATOM 778 HE21 GLN B 78 -20.268 22.682 8.278 1.00 0.00 H ATOM 779 H GLN B 78 -14.081 24.101 10.845 1.00 0.00 H ATOM 780 N LYS B 79 -13.463 24.104 6.919 1.00 20.58 N ATOM 781 CA LYS B 79 -12.652 24.964 6.076 1.00 20.77 C ATOM 782 C LYS B 79 -13.432 25.256 4.804 1.00 20.62 C ATOM 783 O LYS B 79 -13.984 24.344 4.190 1.00 20.29 O ATOM 784 CB LYS B 79 -11.345 24.276 5.738 1.00 22.27 C ATOM 785 CG LYS B 79 -10.310 24.387 6.841 1.00 24.17 C ATOM 786 CD LYS B 79 -9.076 23.592 6.499 1.00 26.37 C ATOM 787 CE LYS B 79 -7.909 23.981 7.389 1.00 28.95 C ATOM 788 NZ LYS B 79 -6.676 23.314 6.918 1.00 30.45 N ATOM 789 HZ1 LYS B 79 -6.807 22.283 6.952 1.00 0.00 H ATOM 790 HZ2 LYS B 79 -6.476 23.607 5.940 1.00 0.00 H ATOM 791 HZ3 LYS B 79 -5.881 23.584 7.531 1.00 0.00 H ATOM 792 H LYS B 79 -13.759 23.181 6.542 1.00 0.00 H ATOM 793 N VAL B 80 -13.515 26.537 4.439 1.00 20.39 N ATOM 794 CA VAL B 80 -14.189 26.938 3.220 1.00 20.00 C ATOM 795 C VAL B 80 -13.100 27.092 2.174 1.00 19.48 C ATOM 796 O VAL B 80 -12.212 27.923 2.322 1.00 18.33 O ATOM 797 CB VAL B 80 -14.961 28.262 3.387 1.00 20.74 C ATOM 798 CG1 VAL B 80 -15.638 28.652 2.082 1.00 21.02 C ATOM 799 CG2 VAL B 80 -15.984 28.141 4.513 1.00 21.39 C ATOM 800 H VAL B 80 -13.085 27.266 5.044 1.00 0.00 H ATOM 801 N TYR B 81 -13.159 26.268 1.136 1.00 18.89 N ATOM 802 CA TYR B 81 -12.168 26.295 0.074 1.00 19.67 C ATOM 803 C TYR B 81 -12.783 26.853 -1.198 1.00 19.07 C ATOM 804 O TYR B 81 -13.874 26.441 -1.599 1.00 18.37 O ATOM 805 CB TYR B 81 -11.633 24.898 -0.224 1.00 20.45 C ATOM 806 CG TYR B 81 -10.648 24.333 0.777 1.00 22.48 C ATOM 807 CD1 TYR B 81 -9.296 24.618 0.683 1.00 22.69 C ATOM 808 CD2 TYR B 81 -11.067 23.447 1.781 1.00 23.66 C ATOM 809 CE1 TYR B 81 -8.385 24.087 1.579 1.00 24.62 C ATOM 810 CE2 TYR B 81 -10.158 22.902 2.679 1.00 24.78 C ATOM 811 CZ TYR B 81 -8.816 23.235 2.575 1.00 25.89 C ATOM 812 OH TYR B 81 -7.888 22.705 3.455 1.00 30.91 O ATOM 813 HH TYR B 81 -6.988 23.051 3.232 1.00 0.00 H ATOM 814 H TYR B 81 -13.938 25.582 1.081 1.00 0.00 H ATOM 815 N PHE B 82 -12.073 27.784 -1.824 1.00 18.01 N ATOM 816 CA PHE B 82 -12.422 28.307 -3.134 1.00 17.37 C ATOM 817 C PHE B 82 -11.307 27.962 -4.094 1.00 18.21 C ATOM 818 O PHE B 82 -10.168 28.428 -3.928 1.00 16.69 O ATOM 819 CB PHE B 82 -12.594 29.830 -3.096 1.00 17.46 C ATOM 820 CG PHE B 82 -12.825 30.442 -4.448 1.00 16.74 C ATOM 821 CD1 PHE B 82 -14.058 30.304 -5.082 1.00 16.56 C ATOM 822 CD2 PHE B 82 -11.805 31.156 -5.103 1.00 16.80 C ATOM 823 CE1 PHE B 82 -14.280 30.866 -6.329 1.00 16.63 C ATOM 824 CE2 PHE B 82 -12.030 31.711 -6.355 1.00 16.83 C ATOM 825 CZ PHE B 82 -13.273 31.570 -6.963 1.00 16.50 C ATOM 826 H PHE B 82 -11.224 28.158 -1.353 1.00 0.00 H ATOM 827 N LYS B 83 -11.646 27.144 -5.092 1.00 19.04 N ATOM 828 CA LYS B 83 -10.695 26.615 -6.055 1.00 19.79 C ATOM 829 C LYS B 83 -9.443 26.136 -5.343 1.00 20.88 C ATOM 830 O LYS B 83 -8.327 26.411 -5.774 1.00 20.66 O ATOM 831 CB LYS B 83 -10.350 27.665 -7.124 1.00 20.73 C ATOM 832 CG LYS B 83 -11.549 28.165 -7.911 1.00 20.47 C ATOM 833 CD LYS B 83 -11.081 29.023 -9.083 1.00 21.21 C ATOM 834 CE LYS B 83 -12.224 29.404 -10.009 1.00 21.95 C ATOM 835 NZ LYS B 83 -11.747 30.373 -11.033 1.00 22.21 N ATOM 836 HZ1 LYS B 83 -11.389 31.227 -10.560 1.00 0.00 H ATOM 837 HZ2 LYS B 83 -10.984 29.939 -11.591 1.00 0.00 H ATOM 838 HZ3 LYS B 83 -12.536 30.628 -11.661 1.00 0.00 H ATOM 839 H LYS B 83 -12.645 26.870 -5.186 1.00 0.00 H ATOM 840 N GLY B 84 -9.645 25.433 -4.234 1.00 21.82 N ATOM 841 CA GLY B 84 -8.549 24.791 -3.520 1.00 22.61 C ATOM 842 C GLY B 84 -7.856 25.655 -2.495 1.00 21.82 C ATOM 843 O GLY B 84 -6.943 25.200 -1.825 1.00 22.63 O ATOM 844 H GLY B 84 -10.613 25.338 -3.865 1.00 0.00 H ATOM 845 N GLN B 85 -8.288 26.901 -2.353 1.00 22.35 N ATOM 846 CA GLN B 85 -7.675 27.818 -1.409 1.00 22.65 C ATOM 847 C GLN B 85 -8.570 28.048 -0.218 1.00 21.29 C ATOM 848 O GLN B 85 -9.738 28.402 -0.367 1.00 19.63 O ATOM 849 CB GLN B 85 -7.388 29.155 -2.093 1.00 23.75 C ATOM 850 CG GLN B 85 -6.838 30.193 -1.145 1.00 26.39 C ATOM 851 CD GLN B 85 -6.342 31.423 -1.853 1.00 27.70 C ATOM 852 OE1 GLN B 85 -6.339 31.507 -3.079 1.00 31.47 O ATOM 853 NE2 GLN B 85 -5.914 32.379 -1.085 1.00 29.80 N ATOM 854 HE22 GLN B 85 -5.935 32.265 -0.052 1.00 0.00 H ATOM 855 HE21 GLN B 85 -5.550 33.259 -1.504 1.00 0.00 H ATOM 856 H GLN B 85 -9.086 27.230 -2.933 1.00 0.00 H ATOM 857 N CYS B 86 -8.008 27.885 0.974 1.00 22.76 N ATOM 858 CA CYS B 86 -8.789 28.039 2.193 1.00 22.75 C ATOM 859 C CYS B 86 -9.048 29.513 2.489 1.00 23.92 C ATOM 860 O CYS B 86 -8.117 30.279 2.748 1.00 25.52 O ATOM 861 CB CYS B 86 -8.094 27.368 3.368 1.00 23.81 C ATOM 862 SG CYS B 86 -9.088 27.528 4.841 1.00 25.16 S ATOM 863 H CYS B 86 -6.998 27.645 1.038 1.00 0.00 H ATOM 864 N LEU B 87 -10.304 29.924 2.416 1.00 23.59 N ATOM 865 CA LEU B 87 -10.667 31.320 2.662 1.00 25.85 C ATOM 866 C LEU B 87 -11.006 31.569 4.116 1.00 26.92 C ATOM 867 O LEU B 87 -10.983 32.709 4.568 1.00 25.90 O ATOM 868 CB LEU B 87 -11.907 31.709 1.869 1.00 27.05 C ATOM 869 CG LEU B 87 -11.878 31.477 0.363 1.00 28.31 C ATOM 870 CD1 LEU B 87 -13.216 31.912 -0.196 1.00 28.84 C ATOM 871 CD2 LEU B 87 -10.728 32.237 -0.262 1.00 28.56 C ATOM 872 H LEU B 87 -11.050 29.239 2.178 1.00 0.00 H ATOM 873 N GLU B 88 -11.376 30.510 4.832 1.00 26.79 N ATOM 874 CA GLU B 88 -12.015 30.667 6.128 1.00 29.23 C ATOM 875 C GLU B 88 -11.950 29.338 6.860 1.00 28.23 C ATOM 876 O GLU B 88 -12.133 28.296 6.234 1.00 23.89 O ATOM 877 CB GLU B 88 -13.472 31.060 5.901 1.00 32.99 C ATOM 878 CG GLU B 88 -14.077 31.893 7.000 1.00 38.11 C ATOM 879 CD GLU B 88 -15.185 32.773 6.480 1.00 41.63 C ATOM 880 OE1 GLU B 88 -16.346 32.608 6.902 1.00 46.87 O ATOM 881 OE2 GLU B 88 -14.890 33.623 5.621 1.00 46.37 O ATOM 882 H GLU B 88 -11.205 29.555 4.458 1.00 0.00 H ATOM 883 N GLU B 89 -11.665 29.379 8.167 1.00 27.74 N ATOM 884 CA GLU B 89 -11.737 28.185 9.020 1.00 28.64 C ATOM 885 C GLU B 89 -12.644 28.461 10.215 1.00 28.72 C ATOM 886 O GLU B 89 -12.522 29.499 10.859 1.00 27.05 O ATOM 887 CB GLU B 89 -10.354 27.722 9.487 1.00 31.58 C ATOM 888 CG GLU B 89 -10.400 26.419 10.287 1.00 33.59 C ATOM 889 CD GLU B 89 -9.053 25.724 10.441 1.00 36.38 C ATOM 890 OE1 GLU B 89 -8.014 26.404 10.515 1.00 38.44 O ATOM 891 OE2 GLU B 89 -9.037 24.473 10.512 1.00 37.70 O ATOM 892 H GLU B 89 -11.384 30.285 8.593 1.00 0.00 H ATOM 893 N TRP B 90 -13.563 27.534 10.491 1.00 25.38 N ATOM 894 CA TRP B 90 -14.523 27.675 11.582 1.00 24.77 C ATOM 895 C TRP B 90 -14.345 26.522 12.564 1.00 25.62 C ATOM 896 O TRP B 90 -13.987 25.415 12.155 1.00 22.67 O ATOM 897 CB TRP B 90 -15.951 27.631 11.068 1.00 25.55 C ATOM 898 CG TRP B 90 -16.321 28.648 10.035 1.00 27.40 C ATOM 899 CD1 TRP B 90 -15.895 29.936 9.957 1.00 28.59 C ATOM 900 CD2 TRP B 90 -17.265 28.470 8.973 1.00 27.15 C ATOM 901 NE1 TRP B 90 -16.497 30.570 8.893 1.00 28.48 N ATOM 902 CE2 TRP B 90 -17.346 29.693 8.274 1.00 28.41 C ATOM 903 CE3 TRP B 90 -18.051 27.390 8.542 1.00 27.34 C ATOM 904 CZ2 TRP B 90 -18.174 29.866 7.165 1.00 27.34 C ATOM 905 CZ3 TRP B 90 -18.866 27.560 7.441 1.00 26.92 C ATOM 906 CH2 TRP B 90 -18.918 28.789 6.760 1.00 27.70 C ATOM 907 HE1 TRP B 90 -16.333 31.556 8.606 1.00 0.00 H ATOM 908 H TRP B 90 -13.597 26.676 9.905 1.00 0.00 H ATOM 909 N PHE B 91 -14.601 26.798 13.841 1.00 25.34 N ATOM 910 CA PHE B 91 -14.471 25.805 14.913 1.00 24.58 C ATOM 911 C PHE B 91 -15.758 25.813 15.711 1.00 24.45 C ATOM 912 O PHE B 91 -16.261 26.881 16.066 1.00 22.83 O ATOM 913 CB PHE B 91 -13.293 26.141 15.819 1.00 25.34 C ATOM 914 CG PHE B 91 -11.980 26.194 15.104 1.00 26.26 C ATOM 915 CD1 PHE B 91 -11.560 27.358 14.467 1.00 26.85 C ATOM 916 CD2 PHE B 91 -11.161 25.078 15.052 1.00 26.63 C ATOM 917 CE1 PHE B 91 -10.351 27.398 13.792 1.00 26.72 C ATOM 918 CE2 PHE B 91 -9.946 25.118 14.397 1.00 27.26 C ATOM 919 CZ PHE B 91 -9.540 26.281 13.763 1.00 27.03 C ATOM 920 H PHE B 91 -14.907 27.760 14.090 1.00 0.00 H ATOM 921 N PHE B 92 -16.320 24.629 15.953 1.00 23.86 N ATOM 922 CA PHE B 92 -17.545 24.504 16.733 1.00 24.55 C ATOM 923 C PHE B 92 -17.397 23.348 17.719 1.00 24.90 C ATOM 924 O PHE B 92 -16.900 22.281 17.348 1.00 23.61 O ATOM 925 CB PHE B 92 -18.747 24.229 15.840 1.00 26.01 C ATOM 926 CG PHE B 92 -18.964 25.256 14.767 1.00 26.78 C ATOM 927 CD1 PHE B 92 -19.696 26.407 15.024 1.00 27.10 C ATOM 928 CD2 PHE B 92 -18.443 25.064 13.494 1.00 27.09 C ATOM 929 CE1 PHE B 92 -19.894 27.353 14.035 1.00 28.76 C ATOM 930 CE2 PHE B 92 -18.653 26.007 12.499 1.00 27.70 C ATOM 931 CZ PHE B 92 -19.376 27.150 12.773 1.00 26.84 C ATOM 932 H PHE B 92 -15.872 23.770 15.575 1.00 0.00 H ATOM 933 N GLU B 93 -17.827 23.569 18.961 1.00 26.74 N ATOM 934 CA GLU B 93 -17.739 22.554 20.015 1.00 28.10 C ATOM 935 C GLU B 93 -19.116 22.146 20.479 1.00 26.06 C ATOM 936 O GLU B 93 -19.956 22.995 20.777 1.00 24.28 O ATOM 937 CB GLU B 93 -16.942 23.070 21.216 1.00 33.47 C ATOM 938 CG GLU B 93 -15.446 23.132 20.972 1.00 38.94 C ATOM 939 CD GLU B 93 -14.593 23.029 22.237 1.00 47.01 C ATOM 940 OE1 GLU B 93 -15.061 22.483 23.270 1.00 49.91 O ATOM 941 OE2 GLU B 93 -13.426 23.488 22.184 1.00 52.16 O ATOM 942 H GLU B 93 -18.240 24.495 19.191 1.00 0.00 H ATOM 943 N PHE B 94 -19.366 20.837 20.514 1.00 24.77 N ATOM 944 CA PHE B 94 -20.590 20.326 21.102 1.00 22.78 C ATOM 945 C PHE B 94 -20.354 19.859 22.542 1.00 23.07 C ATOM 946 O PHE B 94 -21.206 20.074 23.402 1.00 22.95 O ATOM 947 CB PHE B 94 -21.187 19.166 20.287 1.00 23.07 C ATOM 948 CG PHE B 94 -22.465 18.631 20.866 1.00 21.81 C ATOM 949 CD1 PHE B 94 -23.685 19.197 20.533 1.00 22.04 C ATOM 950 CD2 PHE B 94 -22.448 17.590 21.782 1.00 22.22 C ATOM 951 CE1 PHE B 94 -24.866 18.733 21.081 1.00 22.66 C ATOM 952 CE2 PHE B 94 -23.628 17.124 22.332 1.00 22.56 C ATOM 953 CZ PHE B 94 -24.838 17.693 21.986 1.00 22.16 C ATOM 954 H PHE B 94 -18.673 20.172 20.114 1.00 0.00 H ATOM 955 N GLY B 95 -19.223 19.200 22.788 1.00 21.96 N ATOM 956 CA GLY B 95 -18.912 18.671 24.127 1.00 22.05 C ATOM 957 C GLY B 95 -19.330 17.217 24.297 1.00 22.66 C ATOM 958 O GLY B 95 -19.224 16.404 23.364 1.00 19.60 O ATOM 959 H GLY B 95 -18.542 19.055 22.015 1.00 0.00 H ATOM 960 N PHE B 96 -19.823 16.901 25.491 1.00 22.80 N ATOM 961 CA PHE B 96 -20.199 15.533 25.838 1.00 21.67 C ATOM 962 C PHE B 96 -21.413 15.008 25.079 1.00 20.43 C ATOM 963 O PHE B 96 -22.469 15.661 24.980 1.00 20.06 O ATOM 964 CB PHE B 96 -20.446 15.422 27.352 1.00 22.14 C ATOM 965 CG PHE B 96 -20.628 14.016 27.820 1.00 22.95 C ATOM 966 CD1 PHE B 96 -19.530 13.182 27.962 1.00 24.69 C ATOM 967 CD2 PHE B 96 -21.885 13.514 28.083 1.00 24.39 C ATOM 968 CE1 PHE B 96 -19.685 11.876 28.388 1.00 24.14 C ATOM 969 CE2 PHE B 96 -22.042 12.205 28.511 1.00 24.18 C ATOM 970 CZ PHE B 96 -20.937 11.392 28.652 1.00 23.34 C ATOM 971 H PHE B 96 -19.945 17.652 26.200 1.00 0.00 H ATOM 972 N VAL B 97 -21.258 13.803 24.547 1.00 19.88 N ATOM 973 CA VAL B 97 -22.331 13.131 23.855 1.00 19.34 C ATOM 974 C VAL B 97 -22.634 11.835 24.585 1.00 19.54 C ATOM 975 O VAL B 97 -21.747 10.997 24.724 1.00 20.02 O ATOM 976 CB VAL B 97 -21.934 12.780 22.404 1.00 19.10 C ATOM 977 CG1 VAL B 97 -23.073 12.040 21.715 1.00 18.06 C ATOM 978 CG2 VAL B 97 -21.536 14.035 21.632 1.00 19.80 C ATOM 979 H VAL B 97 -20.336 13.329 24.631 1.00 0.00 H ATOM 980 N ILE B 98 -23.882 11.683 25.016 1.00 20.18 N ATOM 981 CA ILE B 98 -24.360 10.462 25.677 1.00 21.01 C ATOM 982 C ILE B 98 -24.423 9.325 24.654 1.00 19.74 C ATOM 983 O ILE B 98 -24.902 9.531 23.540 1.00 19.49 O ATOM 984 CB ILE B 98 -25.771 10.683 26.280 1.00 23.01 C ATOM 985 CG1 ILE B 98 -25.701 11.567 27.531 1.00 25.16 C ATOM 986 CG2 ILE B 98 -26.451 9.367 26.652 1.00 23.78 C ATOM 987 CD1 ILE B 98 -27.030 12.225 27.860 1.00 27.14 C ATOM 988 H ILE B 98 -24.552 12.466 24.879 1.00 0.00 H ATOM 989 N PRO B 99 -23.953 8.114 25.026 1.00 18.90 N ATOM 990 CA PRO B 99 -24.081 6.987 24.107 1.00 18.66 C ATOM 991 C PRO B 99 -25.543 6.627 23.810 1.00 18.88 C ATOM 992 O PRO B 99 -26.380 6.615 24.717 1.00 18.22 O ATOM 993 CB PRO B 99 -23.337 5.829 24.825 1.00 18.56 C ATOM 994 CG PRO B 99 -23.223 6.235 26.261 1.00 18.30 C ATOM 995 CD PRO B 99 -23.286 7.747 26.292 1.00 18.67 C ATOM 996 N ASN B 100 -25.825 6.339 22.536 1.00 19.53 N ATOM 997 CA ASN B 100 -27.161 6.069 22.023 1.00 20.54 C ATOM 998 C ASN B 100 -28.112 7.247 22.210 1.00 21.58 C ATOM 999 O ASN B 100 -29.294 7.052 22.467 1.00 22.60 O ATOM 1000 CB ASN B 100 -27.772 4.802 22.638 1.00 21.33 C ATOM 1001 CG ASN B 100 -26.893 3.579 22.455 1.00 22.40 C ATOM 1002 OD1 ASN B 100 -26.377 3.031 23.415 1.00 25.31 O ATOM 1003 ND2 ASN B 100 -26.699 3.168 21.217 1.00 22.10 N ATOM 1004 HD22 ASN B 100 -27.158 3.664 20.426 1.00 0.00 H ATOM 1005 HD21 ASN B 100 -26.087 2.348 21.031 1.00 0.00 H ATOM 1006 H ASN B 100 -25.033 6.305 21.862 1.00 0.00 H ATOM 1007 N SER B 101 -27.595 8.459 22.083 1.00 20.78 N ATOM 1008 CA SER B 101 -28.439 9.641 22.091 1.00 20.82 C ATOM 1009 C SER B 101 -28.623 10.218 20.694 1.00 21.38 C ATOM 1010 O SER B 101 -27.844 9.947 19.763 1.00 19.94 O ATOM 1011 CB SER B 101 -27.862 10.713 23.000 1.00 20.91 C ATOM 1012 OG SER B 101 -26.628 11.187 22.509 1.00 20.85 O ATOM 1013 HG SER B 101 -25.985 10.436 22.457 1.00 0.00 H ATOM 1014 H SER B 101 -26.566 8.567 21.976 1.00 0.00 H ATOM 1015 N THR B 102 -29.668 11.025 20.586 1.00 21.22 N ATOM 1016 CA THR B 102 -29.953 11.842 19.413 1.00 22.53 C ATOM 1017 C THR B 102 -30.013 13.267 19.953 1.00 22.40 C ATOM 1018 O THR B 102 -30.594 13.501 21.015 1.00 23.68 O ATOM 1019 CB THR B 102 -31.267 11.406 18.744 1.00 22.69 C ATOM 1020 OG1 THR B 102 -31.102 10.085 18.217 1.00 22.49 O ATOM 1021 CG2 THR B 102 -31.678 12.353 17.623 1.00 22.82 C ATOM 1022 HG1 THR B 102 -30.370 10.086 17.550 1.00 0.00 H ATOM 1023 H THR B 102 -30.327 11.079 21.389 1.00 0.00 H ATOM 1024 N ASN B 103 -29.370 14.195 19.250 1.00 21.92 N ATOM 1025 CA ASN B 103 -29.072 15.530 19.753 1.00 21.72 C ATOM 1026 C ASN B 103 -29.250 16.578 18.672 1.00 23.17 C ATOM 1027 O ASN B 103 -28.855 16.345 17.531 1.00 22.36 O ATOM 1028 CB ASN B 103 -27.615 15.616 20.180 1.00 22.40 C ATOM 1029 CG ASN B 103 -27.237 14.581 21.219 1.00 23.15 C ATOM 1030 OD1 ASN B 103 -27.288 14.860 22.405 1.00 24.05 O ATOM 1031 ND2 ASN B 103 -26.858 13.381 20.774 1.00 23.85 N ATOM 1032 HD22 ASN B 103 -26.830 13.190 19.752 1.00 0.00 H ATOM 1033 HD21 ASN B 103 -26.590 12.637 21.449 1.00 0.00 H ATOM 1034 H ASN B 103 -29.062 13.954 18.286 1.00 0.00 H ATOM 1035 N THR B 104 -29.803 17.739 19.031 1.00 23.98 N ATOM 1036 CA THR B 104 -29.820 18.894 18.122 1.00 24.92 C ATOM 1037 C THR B 104 -28.790 19.918 18.548 1.00 25.25 C ATOM 1038 O THR B 104 -28.720 20.288 19.715 1.00 27.31 O ATOM 1039 CB THR B 104 -31.203 19.537 18.062 1.00 25.00 C ATOM 1040 OG1 THR B 104 -32.123 18.568 17.579 1.00 25.50 O ATOM 1041 CG2 THR B 104 -31.208 20.742 17.125 1.00 26.14 C ATOM 1042 HG1 THR B 104 -33.028 18.968 17.533 1.00 0.00 H ATOM 1043 H THR B 104 -30.231 17.828 19.975 1.00 0.00 H ATOM 1044 N TRP B 105 -27.990 20.378 17.592 1.00 24.47 N ATOM 1045 CA TRP B 105 -26.868 21.263 17.861 1.00 25.18 C ATOM 1046 C TRP B 105 -27.019 22.546 17.043 1.00 27.14 C ATOM 1047 O TRP B 105 -27.025 22.504 15.819 1.00 25.84 O ATOM 1048 CB TRP B 105 -25.580 20.556 17.500 1.00 23.87 C ATOM 1049 CG TRP B 105 -24.302 21.328 17.745 1.00 23.71 C ATOM 1050 CD1 TRP B 105 -24.146 22.511 18.425 1.00 23.92 C ATOM 1051 CD2 TRP B 105 -22.993 20.924 17.346 1.00 23.57 C ATOM 1052 NE1 TRP B 105 -22.818 22.866 18.448 1.00 23.89 N ATOM 1053 CE2 TRP B 105 -22.091 21.912 17.792 1.00 22.98 C ATOM 1054 CE3 TRP B 105 -22.489 19.818 16.651 1.00 22.85 C ATOM 1055 CZ2 TRP B 105 -20.725 21.830 17.557 1.00 23.03 C ATOM 1056 CZ3 TRP B 105 -21.141 19.740 16.422 1.00 23.43 C ATOM 1057 CH2 TRP B 105 -20.266 20.742 16.882 1.00 22.80 C ATOM 1058 HE1 TRP B 105 -22.429 23.722 18.893 1.00 0.00 H ATOM 1059 H TRP B 105 -28.174 20.093 16.609 1.00 0.00 H ATOM 1060 N GLN B 106 -27.139 23.671 17.745 1.00 28.89 N ATOM 1061 CA GLN B 106 -27.341 24.968 17.125 1.00 32.01 C ATOM 1062 C GLN B 106 -26.031 25.728 17.160 1.00 31.28 C ATOM 1063 O GLN B 106 -25.368 25.792 18.202 1.00 30.41 O ATOM 1064 CB GLN B 106 -28.431 25.737 17.864 1.00 36.67 C ATOM 1065 CG GLN B 106 -28.874 27.026 17.188 1.00 41.91 C ATOM 1066 CD GLN B 106 -30.229 27.507 17.695 1.00 46.74 C ATOM 1067 OE1 GLN B 106 -31.243 26.820 17.539 1.00 53.76 O ATOM 1068 NE2 GLN B 106 -30.254 28.689 18.302 1.00 49.60 N ATOM 1069 HE22 GLN B 106 -29.376 29.236 18.412 1.00 0.00 H ATOM 1070 HE21 GLN B 106 -31.151 29.067 18.667 1.00 0.00 H ATOM 1071 H GLN B 106 -27.086 23.618 18.782 1.00 0.00 H ATOM 1072 N SER B 107 -25.638 26.272 16.010 1.00 29.38 N ATOM 1073 CA SER B 107 -24.386 27.006 15.900 1.00 29.62 C ATOM 1074 C SER B 107 -24.605 28.290 15.114 1.00 30.22 C ATOM 1075 O SER B 107 -25.496 28.366 14.279 1.00 28.36 O ATOM 1076 CB SER B 107 -23.318 26.150 15.222 1.00 29.81 C ATOM 1077 OG SER B 107 -22.929 25.074 16.049 1.00 30.56 O ATOM 1078 HG SER B 107 -22.238 24.537 15.586 1.00 0.00 H ATOM 1079 H SER B 107 -26.241 26.170 15.169 1.00 0.00 H ATOM 1080 N LEU B 108 -23.792 29.297 15.406 1.00 32.10 N ATOM 1081 CA LEU B 108 -23.851 30.562 14.694 1.00 33.75 C ATOM 1082 C LEU B 108 -22.607 30.714 13.816 1.00 34.03 C ATOM 1083 O LEU B 108 -21.478 30.590 14.289 1.00 32.17 O ATOM 1084 CB LEU B 108 -23.947 31.715 15.696 1.00 36.40 C ATOM 1085 CG LEU B 108 -24.285 33.102 15.139 1.00 39.26 C ATOM 1086 CD1 LEU B 108 -25.686 33.126 14.540 1.00 38.66 C ATOM 1087 CD2 LEU B 108 -24.144 34.133 16.252 1.00 40.12 C ATOM 1088 H LEU B 108 -23.093 29.177 16.166 1.00 0.00 H ATOM 1089 N ILE B 109 -22.832 30.979 12.533 1.00 33.82 N ATOM 1090 CA ILE B 109 -21.764 31.225 11.580 1.00 35.94 C ATOM 1091 C ILE B 109 -21.811 32.722 11.238 1.00 38.89 C ATOM 1092 O ILE B 109 -22.799 33.201 10.675 1.00 34.31 O ATOM 1093 CB ILE B 109 -21.945 30.369 10.309 1.00 36.16 C ATOM 1094 CG1 ILE B 109 -22.162 28.893 10.682 1.00 36.90 C ATOM 1095 CG2 ILE B 109 -20.737 30.504 9.396 1.00 37.07 C ATOM 1096 CD1 ILE B 109 -22.706 28.045 9.557 1.00 37.51 C ATOM 1097 H ILE B 109 -23.816 31.012 12.197 1.00 0.00 H ATOM 1098 N GLU B 110 -20.759 33.450 11.616 1.00 43.96 N ATOM 1099 CA GLU B 110 -20.668 34.901 11.402 1.00 47.01 C ATOM 1100 C GLU B 110 -19.576 35.237 10.395 1.00 48.52 C ATOM 1101 O GLU B 110 -18.793 34.370 9.996 1.00 51.65 O ATOM 1102 CB GLU B 110 -20.389 35.624 12.725 1.00 50.73 C ATOM 1103 CG GLU B 110 -21.531 35.534 13.729 1.00 54.11 C ATOM 1104 CD GLU B 110 -21.470 36.610 14.801 1.00 58.57 C ATOM 1105 OE1 GLU B 110 -20.441 36.693 15.510 1.00 60.88 O ATOM 1106 OE2 GLU B 110 -22.460 37.370 14.940 1.00 60.94 O ATOM 1107 H GLU B 110 -19.966 32.968 12.084 1.00 0.00 H TER 1108 GLU B 110 ATOM 1109 N SER B 115 -13.621 40.427 5.535 1.00 42.64 N ATOM 1110 CA SER B 115 -13.689 39.872 4.184 1.00 40.25 C ATOM 1111 C SER B 115 -14.906 40.402 3.424 1.00 38.57 C ATOM 1112 O SER B 115 -15.929 40.726 4.027 1.00 39.77 O ATOM 1113 CB SER B 115 -13.723 38.338 4.230 1.00 39.82 C ATOM 1114 HN3 SER B 115 -14.479 40.164 6.060 1.00 0.00 H ATOM 1115 HN2 SER B 115 -13.551 41.463 5.480 1.00 0.00 H ATOM 1116 HN1 SER B 115 -12.785 40.047 6.023 1.00 0.00 H ATOM 1117 N GLN B 116 -14.770 40.491 2.101 1.00 36.39 N ATOM 1118 CA GLN B 116 -15.855 40.880 1.201 1.00 34.86 C ATOM 1119 C GLN B 116 -16.161 39.690 0.285 1.00 33.62 C ATOM 1120 O GLN B 116 -15.276 39.168 -0.385 1.00 32.84 O ATOM 1121 CB GLN B 116 -15.456 42.107 0.370 1.00 34.87 C ATOM 1122 H GLN B 116 -13.842 40.272 1.686 1.00 0.00 H ATOM 1123 N MET B 117 -17.417 39.268 0.263 1.00 32.45 N ATOM 1124 CA MET B 117 -17.811 38.044 -0.427 1.00 31.75 C ATOM 1125 C MET B 117 -17.705 38.210 -1.945 1.00 27.91 C ATOM 1126 O MET B 117 -18.105 39.233 -2.480 1.00 27.75 O ATOM 1127 CB MET B 117 -19.253 37.700 -0.062 1.00 35.08 C ATOM 1128 CG MET B 117 -19.496 37.540 1.434 1.00 37.81 C ATOM 1129 SD MET B 117 -18.556 36.138 2.040 1.00 43.05 S ATOM 1130 CE MET B 117 -19.603 34.841 1.427 1.00 43.97 C ATOM 1131 H MET B 117 -18.145 39.827 0.753 1.00 0.00 H ATOM 1132 N MET B 118 -17.183 37.202 -2.638 1.00 23.51 N ATOM 1133 CA MET B 118 -17.238 37.187 -4.115 1.00 21.92 C ATOM 1134 C MET B 118 -18.695 37.025 -4.544 1.00 19.62 C ATOM 1135 O MET B 118 -19.514 36.599 -3.739 1.00 19.87 O ATOM 1136 CB MET B 118 -16.382 36.053 -4.682 1.00 20.77 C ATOM 1137 CG MET B 118 -14.923 36.440 -4.880 1.00 20.78 C ATOM 1138 SD MET B 118 -13.893 35.066 -5.397 1.00 21.19 S ATOM 1139 CE MET B 118 -13.688 34.278 -3.809 1.00 20.72 C ATOM 1140 H MET B 118 -16.730 36.413 -2.134 1.00 0.00 H ATOM 1141 N PRO B 119 -19.039 37.395 -5.800 1.00 19.01 N ATOM 1142 CA PRO B 119 -20.396 37.147 -6.272 1.00 17.48 C ATOM 1143 C PRO B 119 -20.724 35.661 -6.306 1.00 16.12 C ATOM 1144 O PRO B 119 -19.868 34.836 -6.582 1.00 16.35 O ATOM 1145 CB PRO B 119 -20.395 37.699 -7.706 1.00 18.19 C ATOM 1146 CG PRO B 119 -19.267 38.664 -7.748 1.00 18.95 C ATOM 1147 CD PRO B 119 -18.235 38.116 -6.807 1.00 19.11 C ATOM 1148 N ALA B 120 -21.977 35.348 -6.030 1.00 16.04 N ATOM 1149 CA ALA B 120 -22.510 33.988 -6.167 1.00 15.19 C ATOM 1150 C ALA B 120 -22.125 33.319 -7.489 1.00 15.29 C ATOM 1151 O ALA B 120 -21.807 32.129 -7.518 1.00 15.75 O ATOM 1152 CB ALA B 120 -24.015 34.041 -6.047 1.00 15.42 C ATOM 1153 H ALA B 120 -22.615 36.100 -5.700 1.00 0.00 H ATOM 1154 N SER B 121 -22.141 34.088 -8.582 1.00 15.37 N ATOM 1155 CA SER B 121 -21.899 33.532 -9.909 1.00 15.35 C ATOM 1156 C SER B 121 -20.477 33.039 -10.040 1.00 15.01 C ATOM 1157 O SER B 121 -20.215 32.101 -10.772 1.00 15.33 O ATOM 1158 CB SER B 121 -22.198 34.557 -11.007 1.00 15.43 C ATOM 1159 OG SER B 121 -21.302 35.659 -10.932 1.00 16.57 O ATOM 1160 HG SER B 121 -20.373 35.336 -11.043 1.00 0.00 H ATOM 1161 H SER B 121 -22.330 35.106 -8.484 1.00 0.00 H ATOM 1162 N VAL B 122 -19.556 33.690 -9.331 1.00 14.92 N ATOM 1163 CA VAL B 122 -18.159 33.286 -9.327 1.00 15.20 C ATOM 1164 C VAL B 122 -17.954 32.074 -8.413 1.00 14.42 C ATOM 1165 O VAL B 122 -17.228 31.138 -8.747 1.00 14.07 O ATOM 1166 CB VAL B 122 -17.277 34.459 -8.866 1.00 15.65 C ATOM 1167 CG1 VAL B 122 -15.857 33.997 -8.636 1.00 16.00 C ATOM 1168 CG2 VAL B 122 -17.334 35.585 -9.892 1.00 16.41 C ATOM 1169 H VAL B 122 -19.845 34.512 -8.763 1.00 0.00 H ATOM 1170 N LEU B 123 -18.600 32.117 -7.252 1.00 14.82 N ATOM 1171 CA LEU B 123 -18.438 31.105 -6.231 1.00 14.89 C ATOM 1172 C LEU B 123 -19.059 29.779 -6.613 1.00 14.80 C ATOM 1173 O LEU B 123 -18.539 28.737 -6.220 1.00 14.87 O ATOM 1174 CB LEU B 123 -19.077 31.565 -4.925 1.00 15.91 C ATOM 1175 CG LEU B 123 -18.396 32.756 -4.251 1.00 16.71 C ATOM 1176 CD1 LEU B 123 -19.236 33.243 -3.087 1.00 17.74 C ATOM 1177 CD2 LEU B 123 -16.990 32.386 -3.807 1.00 16.59 C ATOM 1178 H LEU B 123 -19.248 32.910 -7.070 1.00 0.00 H ATOM 1179 N THR B 124 -20.175 29.805 -7.344 1.00 14.42 N ATOM 1180 CA THR B 124 -20.988 28.588 -7.490 1.00 14.34 C ATOM 1181 C THR B 124 -20.226 27.430 -8.146 1.00 14.81 C ATOM 1182 O THR B 124 -19.616 27.580 -9.211 1.00 14.91 O ATOM 1183 CB THR B 124 -22.345 28.847 -8.196 1.00 14.27 C ATOM 1184 OG1 THR B 124 -23.169 27.682 -8.051 1.00 15.22 O ATOM 1185 CG2 THR B 124 -22.177 29.165 -9.687 1.00 14.46 C ATOM 1186 HG1 THR B 124 -24.039 27.836 -8.498 1.00 0.00 H ATOM 1187 H THR B 124 -20.470 30.686 -7.811 1.00 0.00 H ATOM 1188 N GLY B 125 -20.265 26.268 -7.493 1.00 14.60 N ATOM 1189 CA GLY B 125 -19.566 25.086 -7.963 1.00 14.70 C ATOM 1190 C GLY B 125 -18.072 25.112 -7.697 1.00 14.94 C ATOM 1191 O GLY B 125 -17.404 24.123 -7.938 1.00 15.27 O ATOM 1192 H GLY B 125 -20.817 26.206 -6.614 1.00 0.00 H ATOM 1193 N ASN B 126 -17.558 26.230 -7.180 1.00 14.80 N ATOM 1194 CA ASN B 126 -16.128 26.372 -6.861 1.00 15.87 C ATOM 1195 C ASN B 126 -15.830 26.411 -5.357 1.00 16.01 C ATOM 1196 O ASN B 126 -14.666 26.563 -4.968 1.00 16.56 O ATOM 1197 CB ASN B 126 -15.584 27.648 -7.495 1.00 15.63 C ATOM 1198 CG ASN B 126 -15.572 27.575 -8.996 1.00 15.98 C ATOM 1199 OD1 ASN B 126 -15.141 26.577 -9.561 1.00 16.98 O ATOM 1200 ND2 ASN B 126 -16.012 28.632 -9.647 1.00 16.94 N ATOM 1201 HD22 ASN B 126 -16.368 29.455 -9.121 1.00 0.00 H ATOM 1202 HD21 ASN B 126 -16.003 28.643 -10.687 1.00 0.00 H ATOM 1203 H ASN B 126 -18.193 27.033 -6.995 1.00 0.00 H ATOM 1204 N VAL B 127 -16.876 26.306 -4.539 1.00 16.28 N ATOM 1205 CA VAL B 127 -16.733 26.296 -3.085 1.00 16.41 C ATOM 1206 C VAL B 127 -16.874 24.853 -2.585 1.00 16.63 C ATOM 1207 O VAL B 127 -17.880 24.187 -2.866 1.00 15.47 O ATOM 1208 CB VAL B 127 -17.768 27.208 -2.395 1.00 16.11 C ATOM 1209 CG1 VAL B 127 -17.720 27.049 -0.891 1.00 16.39 C ATOM 1210 CG2 VAL B 127 -17.531 28.665 -2.746 1.00 16.15 C ATOM 1211 H VAL B 127 -17.828 26.228 -4.950 1.00 0.00 H ATOM 1212 N ILE B 128 -15.857 24.392 -1.864 1.00 16.63 N ATOM 1213 CA ILE B 128 -15.903 23.119 -1.128 1.00 17.31 C ATOM 1214 C ILE B 128 -15.851 23.412 0.368 1.00 17.60 C ATOM 1215 O ILE B 128 -15.028 24.206 0.828 1.00 16.93 O ATOM 1216 CB ILE B 128 -14.748 22.193 -1.545 1.00 18.91 C ATOM 1217 CG1 ILE B 128 -15.046 21.620 -2.927 1.00 20.75 C ATOM 1218 CG2 ILE B 128 -14.538 21.049 -0.546 1.00 18.56 C ATOM 1219 CD1 ILE B 128 -13.841 21.096 -3.645 1.00 23.36 C ATOM 1220 H ILE B 128 -14.986 24.959 -1.818 1.00 0.00 H ATOM 1221 N ILE B 129 -16.755 22.798 1.120 1.00 17.43 N ATOM 1222 CA ILE B 129 -16.679 22.847 2.578 1.00 18.04 C ATOM 1223 C ILE B 129 -16.106 21.523 3.037 1.00 18.74 C ATOM 1224 O ILE B 129 -16.696 20.469 2.761 1.00 17.65 O ATOM 1225 CB ILE B 129 -18.032 23.066 3.255 1.00 17.99 C ATOM 1226 CG1 ILE B 129 -18.803 24.210 2.599 1.00 19.18 C ATOM 1227 CG2 ILE B 129 -17.820 23.319 4.754 1.00 18.11 C ATOM 1228 CD1 ILE B 129 -18.104 25.554 2.669 1.00 19.03 C ATOM 1229 H ILE B 129 -17.529 22.274 0.665 1.00 0.00 H ATOM 1230 N GLU B 130 -14.937 21.574 3.679 1.00 17.44 N ATOM 1231 CA GLU B 130 -14.311 20.394 4.248 1.00 18.45 C ATOM 1232 C GLU B 130 -14.571 20.401 5.745 1.00 18.66 C ATOM 1233 O GLU B 130 -14.170 21.332 6.433 1.00 17.97 O ATOM 1234 CB GLU B 130 -12.808 20.391 3.979 1.00 19.62 C ATOM 1235 CG GLU B 130 -12.052 19.230 4.608 1.00 21.78 C ATOM 1236 CD GLU B 130 -10.562 19.501 4.722 1.00 23.77 C ATOM 1237 OE1 GLU B 130 -10.148 20.375 5.523 1.00 26.32 O ATOM 1238 OE2 GLU B 130 -9.803 18.845 4.000 1.00 27.93 O ATOM 1239 H GLU B 130 -14.457 22.492 3.775 1.00 0.00 H ATOM 1240 N THR B 131 -15.244 19.361 6.240 1.00 18.06 N ATOM 1241 CA THR B 131 -15.607 19.252 7.651 1.00 18.73 C ATOM 1242 C THR B 131 -14.872 18.076 8.279 1.00 19.75 C ATOM 1243 O THR B 131 -14.923 16.972 7.747 1.00 19.26 O ATOM 1244 CB THR B 131 -17.116 19.009 7.820 1.00 18.61 C ATOM 1245 OG1 THR B 131 -17.834 20.089 7.229 1.00 19.16 O ATOM 1246 CG2 THR B 131 -17.501 18.897 9.298 1.00 19.10 C ATOM 1247 HG1 THR B 131 -17.612 20.144 6.266 1.00 0.00 H ATOM 1248 H THR B 131 -15.522 18.595 5.594 1.00 0.00 H ATOM 1249 N LYS B 132 -14.184 18.329 9.393 1.00 19.82 N ATOM 1250 CA LYS B 132 -13.522 17.299 10.164 1.00 20.30 C ATOM 1251 C LYS B 132 -14.283 17.136 11.466 1.00 19.97 C ATOM 1252 O LYS B 132 -14.601 18.112 12.135 1.00 18.36 O ATOM 1253 CB LYS B 132 -12.073 17.676 10.466 1.00 21.57 C ATOM 1254 CG LYS B 132 -11.111 17.591 9.297 1.00 23.71 C ATOM 1255 CD LYS B 132 -9.745 18.116 9.740 1.00 26.63 C ATOM 1256 CE LYS B 132 -8.883 18.603 8.593 1.00 29.38 C ATOM 1257 NZ LYS B 132 -8.334 17.481 7.803 1.00 31.68 N ATOM 1258 HZ1 LYS B 132 -7.750 16.879 8.418 1.00 0.00 H ATOM 1259 HZ2 LYS B 132 -9.116 16.921 7.409 1.00 0.00 H ATOM 1260 HZ3 LYS B 132 -7.750 17.857 7.028 1.00 0.00 H ATOM 1261 H LYS B 132 -14.120 19.313 9.723 1.00 0.00 H ATOM 1262 N PHE B 133 -14.686 16.134 12.035 1.00 20.20 N ATOM 1263 CA PHE B 133 -15.419 15.517 13.123 1.00 21.44 C ATOM 1264 C PHE B 133 -14.380 14.918 14.039 1.00 19.54 C ATOM 1265 O PHE B 133 -13.513 14.175 13.586 1.00 18.94 O ATOM 1266 CB PHE B 133 -16.357 14.416 12.591 1.00 23.75 C ATOM 1267 CG PHE B 133 -17.446 14.930 11.681 1.00 28.63 C ATOM 1268 CD1 PHE B 133 -18.620 15.461 12.205 1.00 31.24 C ATOM 1269 CD2 PHE B 133 -17.296 14.893 10.295 1.00 31.13 C ATOM 1270 CE1 PHE B 133 -19.621 15.931 11.367 1.00 32.34 C ATOM 1271 CE2 PHE B 133 -18.295 15.364 9.452 1.00 31.25 C ATOM 1272 CZ PHE B 133 -19.458 15.877 9.991 1.00 32.30 C ATOM 1273 H PHE B 133 -14.333 15.340 11.464 1.00 0.00 H ATOM 1274 N PHE B 134 -14.297 15.535 15.180 1.00 19.91 N ATOM 1275 CA PHE B 134 -13.346 15.159 16.214 1.00 20.21 C ATOM 1276 C PHE B 134 -14.074 14.745 17.495 1.00 20.01 C ATOM 1277 O PHE B 134 -15.126 15.285 17.820 1.00 18.53 O ATOM 1278 CB PHE B 134 -12.452 16.355 16.583 1.00 20.87 C ATOM 1279 CG PHE B 134 -11.367 16.661 15.583 1.00 21.19 C ATOM 1280 CD1 PHE B 134 -10.169 15.971 15.608 1.00 21.97 C ATOM 1281 CD2 PHE B 134 -11.533 17.672 14.642 1.00 21.82 C ATOM 1282 CE1 PHE B 134 -9.157 16.256 14.708 1.00 22.07 C ATOM 1283 CE2 PHE B 134 -10.527 17.963 13.738 1.00 21.39 C ATOM 1284 CZ PHE B 134 -9.342 17.250 13.766 1.00 21.87 C ATOM 1285 H PHE B 134 -14.939 16.333 15.362 1.00 0.00 H ATOM 1286 N ASP B 135 -13.506 13.784 18.217 1.00 20.45 N ATOM 1287 CA ASP B 135 -13.757 13.696 19.654 1.00 21.47 C ATOM 1288 C ASP B 135 -12.463 14.129 20.314 1.00 22.30 C ATOM 1289 O ASP B 135 -11.477 13.383 20.341 1.00 22.77 O ATOM 1290 CB ASP B 135 -14.143 12.296 20.099 1.00 22.16 C ATOM 1291 CG ASP B 135 -14.328 12.201 21.615 1.00 23.12 C ATOM 1292 OD1 ASP B 135 -14.376 13.255 22.288 1.00 22.65 O ATOM 1293 OD2 ASP B 135 -14.428 11.067 22.128 1.00 23.91 O ATOM 1294 H ASP B 135 -12.880 13.092 17.757 1.00 0.00 H ATOM 1295 N ASP B 136 -12.466 15.355 20.813 1.00 24.94 N ATOM 1296 CA ASP B 136 -11.265 15.984 21.344 1.00 27.63 C ATOM 1297 C ASP B 136 -10.193 16.127 20.261 1.00 27.42 C ATOM 1298 O ASP B 136 -10.399 16.882 19.322 1.00 26.92 O ATOM 1299 CB ASP B 136 -10.773 15.238 22.585 1.00 30.91 C ATOM 1300 CG ASP B 136 -9.939 16.120 23.470 1.00 35.63 C ATOM 1301 OD1 ASP B 136 -10.543 16.894 24.246 1.00 40.81 O ATOM 1302 OD2 ASP B 136 -8.699 16.060 23.362 1.00 37.99 O ATOM 1303 H ASP B 136 -13.359 15.888 20.826 1.00 0.00 H ATOM 1304 N ASP B 137 -9.077 15.403 20.359 1.00 29.38 N ATOM 1305 CA ASP B 137 -8.043 15.428 19.324 1.00 30.29 C ATOM 1306 C ASP B 137 -8.090 14.221 18.396 1.00 27.68 C ATOM 1307 O ASP B 137 -7.266 14.110 17.505 1.00 27.26 O ATOM 1308 CB ASP B 137 -6.648 15.557 19.947 1.00 34.40 C ATOM 1309 CG ASP B 137 -6.273 17.002 20.240 1.00 37.97 C ATOM 1310 OD1 ASP B 137 -6.220 17.815 19.286 1.00 43.34 O ATOM 1311 OD2 ASP B 137 -6.030 17.327 21.423 1.00 40.43 O ATOM 1312 H ASP B 137 -8.938 14.802 21.197 1.00 0.00 H ATOM 1313 N LEU B 138 -9.058 13.331 18.598 1.00 26.98 N ATOM 1314 CA LEU B 138 -9.214 12.151 17.764 1.00 26.21 C ATOM 1315 C LEU B 138 -10.049 12.436 16.508 1.00 23.79 C ATOM 1316 O LEU B 138 -11.242 12.695 16.599 1.00 23.11 O ATOM 1317 CB LEU B 138 -9.893 11.036 18.570 1.00 27.01 C ATOM 1318 CG LEU B 138 -10.110 9.704 17.859 1.00 27.45 C ATOM 1319 CD1 LEU B 138 -8.801 9.150 17.324 1.00 27.81 C ATOM 1320 CD2 LEU B 138 -10.751 8.717 18.820 1.00 27.21 C ATOM 1321 H LEU B 138 -9.726 13.485 19.380 1.00 0.00 H ATOM 1322 N LEU B 139 -9.427 12.357 15.338 1.00 24.29 N ATOM 1323 CA LEU B 139 -10.148 12.609 14.070 1.00 23.70 C ATOM 1324 C LEU B 139 -11.053 11.436 13.712 1.00 21.88 C ATOM 1325 O LEU B 139 -10.577 10.344 13.418 1.00 23.15 O ATOM 1326 CB LEU B 139 -9.171 12.854 12.927 1.00 24.54 C ATOM 1327 CG LEU B 139 -9.802 13.154 11.561 1.00 24.72 C ATOM 1328 CD1 LEU B 139 -10.688 14.392 11.631 1.00 23.87 C ATOM 1329 CD2 LEU B 139 -8.678 13.350 10.551 1.00 25.25 C ATOM 1330 H LEU B 139 -8.416 12.114 15.312 1.00 0.00 H ATOM 1331 N VAL B 140 -12.354 11.676 13.712 1.00 20.78 N ATOM 1332 CA VAL B 140 -13.316 10.616 13.444 1.00 20.92 C ATOM 1333 C VAL B 140 -13.539 10.498 11.940 1.00 21.92 C ATOM 1334 O VAL B 140 -13.545 9.397 11.393 1.00 22.82 O ATOM 1335 CB VAL B 140 -14.612 10.888 14.199 1.00 20.33 C ATOM 1336 CG1 VAL B 140 -15.730 9.955 13.753 1.00 19.93 C ATOM 1337 CG2 VAL B 140 -14.331 10.776 15.691 1.00 20.53 C ATOM 1338 H VAL B 140 -12.696 12.639 13.907 1.00 0.00 H ATOM 1339 N SER B 141 -13.712 11.630 11.268 1.00 21.80 N ATOM 1340 CA SER B 141 -13.958 11.606 9.839 1.00 22.01 C ATOM 1341 C SER B 141 -13.744 12.952 9.187 1.00 21.56 C ATOM 1342 O SER B 141 -13.775 13.978 9.851 1.00 19.82 O ATOM 1343 CB SER B 141 -15.382 11.146 9.553 1.00 23.38 C ATOM 1344 OG SER B 141 -16.321 12.136 9.915 1.00 24.83 O ATOM 1345 HG SER B 141 -17.235 11.810 9.718 1.00 0.00 H ATOM 1346 H SER B 141 -13.671 12.540 11.770 1.00 0.00 H ATOM 1347 N THR B 142 -13.528 12.909 7.872 1.00 21.47 N ATOM 1348 CA THR B 142 -13.429 14.094 7.039 1.00 21.41 C ATOM 1349 C THR B 142 -14.432 13.925 5.904 1.00 20.86 C ATOM 1350 O THR B 142 -14.478 12.866 5.272 1.00 20.21 O ATOM 1351 CB THR B 142 -12.011 14.258 6.461 1.00 22.06 C ATOM 1352 OG1 THR B 142 -11.054 14.268 7.528 1.00 23.74 O ATOM 1353 CG2 THR B 142 -11.878 15.561 5.673 1.00 22.23 C ATOM 1354 HG1 THR B 142 -11.109 13.415 8.027 1.00 0.00 H ATOM 1355 H THR B 142 -13.425 11.978 7.419 1.00 0.00 H ATOM 1356 N SER B 143 -15.293 14.915 5.666 1.00 19.13 N ATOM 1357 CA SER B 143 -16.281 14.911 4.595 1.00 19.60 C ATOM 1358 C SER B 143 -16.144 16.181 3.751 1.00 19.06 C ATOM 1359 O SER B 143 -15.605 17.194 4.219 1.00 17.23 O ATOM 1360 CB SER B 143 -17.687 14.787 5.185 1.00 19.80 C ATOM 1361 OG SER B 143 -18.025 15.909 5.987 1.00 21.28 O ATOM 1362 HG SER B 143 -18.939 15.791 6.349 1.00 0.00 H ATOM 1363 H SER B 143 -15.257 15.748 6.288 1.00 0.00 H ATOM 1364 N ARG B 144 -16.600 16.167 2.559 1.00 19.70 N ATOM 1365 CA ARG B 144 -16.566 17.318 1.647 1.00 20.15 C ATOM 1366 C ARG B 144 -17.916 17.547 0.988 1.00 19.06 C ATOM 1367 O ARG B 144 -18.558 16.601 0.546 1.00 18.36 O ATOM 1368 CB ARG B 144 -15.513 17.112 0.571 1.00 22.24 C ATOM 1369 CG ARG B 144 -14.109 17.350 1.096 1.00 25.39 C ATOM 1370 CD ARG B 144 -13.034 16.812 0.176 1.00 28.80 C ATOM 1371 NE ARG B 144 -11.744 16.884 0.869 1.00 34.22 N ATOM 1372 CZ ARG B 144 -11.251 15.960 1.704 1.00 37.80 C ATOM 1373 NH1 ARG B 144 -11.903 14.824 1.968 1.00 39.66 N ATOM 1374 NH2 ARG B 144 -10.074 16.171 2.276 1.00 39.81 N ATOM 1375 HE ARG B 144 -11.160 17.727 0.697 1.00 0.00 H ATOM 1376 HH12 ARG B 144 -11.491 14.128 2.622 1.00 0.00 H ATOM 1377 HH11 ARG B 144 -12.822 14.636 1.520 1.00 0.00 H ATOM 1378 HH22 ARG B 144 -9.678 15.463 2.927 1.00 0.00 H ATOM 1379 HH21 ARG B 144 -9.547 17.044 2.074 1.00 0.00 H ATOM 1380 H ARG B 144 -17.023 15.283 2.211 1.00 0.00 H ATOM 1381 N VAL B 145 -18.334 18.810 0.933 1.00 18.24 N ATOM 1382 CA VAL B 145 -19.566 19.212 0.269 1.00 17.63 C ATOM 1383 C VAL B 145 -19.266 20.351 -0.719 1.00 17.94 C ATOM 1384 O VAL B 145 -18.645 21.355 -0.339 1.00 16.46 O ATOM 1385 CB VAL B 145 -20.621 19.706 1.273 1.00 18.93 C ATOM 1386 CG1 VAL B 145 -21.925 20.004 0.536 1.00 19.61 C ATOM 1387 CG2 VAL B 145 -20.846 18.677 2.388 1.00 19.17 C ATOM 1388 H VAL B 145 -17.753 19.544 1.386 1.00 0.00 H ATOM 1389 N ARG B 146 -19.678 20.181 -1.976 1.00 16.99 N ATOM 1390 CA ARG B 146 -19.506 21.210 -2.999 1.00 16.95 C ATOM 1391 C ARG B 146 -20.763 22.058 -3.015 1.00 15.93 C ATOM 1392 O ARG B 146 -21.874 21.534 -3.057 1.00 16.13 O ATOM 1393 CB ARG B 146 -19.271 20.590 -4.390 1.00 17.36 C ATOM 1394 CG ARG B 146 -19.014 21.627 -5.482 1.00 18.35 C ATOM 1395 CD ARG B 146 -18.611 21.021 -6.825 1.00 19.50 C ATOM 1396 NE ARG B 146 -17.404 20.210 -6.724 1.00 21.84 N ATOM 1397 CZ ARG B 146 -16.145 20.661 -6.774 1.00 24.10 C ATOM 1398 NH1 ARG B 146 -15.863 21.957 -6.929 1.00 25.34 N ATOM 1399 NH2 ARG B 146 -15.147 19.793 -6.652 1.00 24.91 N ATOM 1400 HE ARG B 146 -17.533 19.185 -6.602 1.00 0.00 H ATOM 1401 HH12 ARG B 146 -14.873 22.273 -6.964 1.00 0.00 H ATOM 1402 HH11 ARG B 146 -16.634 22.650 -7.015 1.00 0.00 H ATOM 1403 HH22 ARG B 146 -14.162 20.125 -6.688 1.00 0.00 H ATOM 1404 HH21 ARG B 146 -15.351 18.782 -6.520 1.00 0.00 H ATOM 1405 H ARG B 146 -20.137 19.285 -2.237 1.00 0.00 H ATOM 1406 N LEU B 147 -20.600 23.367 -3.001 1.00 15.58 N ATOM 1407 CA LEU B 147 -21.757 24.258 -2.927 1.00 16.03 C ATOM 1408 C LEU B 147 -22.047 24.961 -4.248 1.00 16.59 C ATOM 1409 O LEU B 147 -21.129 25.443 -4.919 1.00 16.58 O ATOM 1410 CB LEU B 147 -21.537 25.323 -1.851 1.00 16.91 C ATOM 1411 CG LEU B 147 -21.285 24.832 -0.425 1.00 17.20 C ATOM 1412 CD1 LEU B 147 -21.246 26.032 0.510 1.00 18.12 C ATOM 1413 CD2 LEU B 147 -22.369 23.862 0.009 1.00 17.66 C ATOM 1414 H LEU B 147 -19.641 23.768 -3.043 1.00 0.00 H ATOM 1415 N PHE B 148 -23.338 25.024 -4.581 1.00 17.09 N ATOM 1416 CA PHE B 148 -23.864 25.782 -5.707 1.00 17.63 C ATOM 1417 C PHE B 148 -24.773 26.834 -5.116 1.00 17.87 C ATOM 1418 O PHE B 148 -25.527 26.557 -4.192 1.00 18.66 O ATOM 1419 CB PHE B 148 -24.637 24.870 -6.676 1.00 17.69 C ATOM 1420 CG PHE B 148 -23.820 23.707 -7.163 1.00 18.15 C ATOM 1421 CD1 PHE B 148 -22.910 23.874 -8.195 1.00 17.35 C ATOM 1422 CD2 PHE B 148 -23.908 22.469 -6.540 1.00 19.22 C ATOM 1423 CE1 PHE B 148 -22.126 22.828 -8.618 1.00 18.39 C ATOM 1424 CE2 PHE B 148 -23.116 21.399 -6.963 1.00 19.97 C ATOM 1425 CZ PHE B 148 -22.229 21.584 -8.002 1.00 19.53 C ATOM 1426 H PHE B 148 -24.015 24.495 -3.995 1.00 0.00 H ATOM 1427 N TYR B 149 -24.653 28.060 -5.604 1.00 18.64 N ATOM 1428 CA TYR B 149 -25.475 29.158 -5.146 1.00 19.37 C ATOM 1429 C TYR B 149 -26.541 29.417 -6.202 1.00 21.76 C ATOM 1430 O TYR B 149 -26.218 29.694 -7.349 1.00 21.40 O ATOM 1431 CB TYR B 149 -24.602 30.400 -4.881 1.00 19.40 C ATOM 1432 CG TYR B 149 -23.569 30.157 -3.808 1.00 18.61 C ATOM 1433 CD1 TYR B 149 -23.865 30.381 -2.462 1.00 19.55 C ATOM 1434 CD2 TYR B 149 -22.315 29.643 -4.121 1.00 19.09 C ATOM 1435 CE1 TYR B 149 -22.920 30.139 -1.466 1.00 18.73 C ATOM 1436 CE2 TYR B 149 -21.373 29.394 -3.130 1.00 18.15 C ATOM 1437 CZ TYR B 149 -21.690 29.646 -1.811 1.00 19.10 C ATOM 1438 OH TYR B 149 -20.770 29.407 -0.830 1.00 19.38 O ATOM 1439 HH TYR B 149 -21.159 29.641 0.050 1.00 0.00 H ATOM 1440 H TYR B 149 -23.943 28.239 -6.342 1.00 0.00 H ATOM 1441 N VAL B 150 -27.805 29.309 -5.812 1.00 23.03 N ATOM 1442 CA VAL B 150 -28.906 29.301 -6.770 1.00 26.07 C ATOM 1443 C VAL B 150 -29.907 30.443 -6.527 1.00 27.59 C ATOM 1444 O VAL B 150 -30.020 30.971 -5.416 1.00 27.36 O ATOM 1445 CB VAL B 150 -29.619 27.935 -6.768 1.00 27.24 C ATOM 1446 CG1 VAL B 150 -28.614 26.831 -7.058 1.00 27.34 C ATOM 1447 CG2 VAL B 150 -30.293 27.651 -5.435 1.00 28.99 C ATOM 1448 H VAL B 150 -28.016 29.228 -4.797 1.00 0.00 H TER 1449 VAL B 150 HETATM 1450 O HOH 1 -9.217 17.844 25.941 1.00 36.57 O HETATM 1451 O HOH 2 -24.675 8.298 7.671 1.00 27.04 O HETATM 1452 O HOH 3 -20.200 18.317 -7.747 1.00 41.49 O HETATM 1453 O HOH 4 -28.449 3.882 19.567 1.00 36.23 O HETATM 1454 O HOH 5 -13.147 6.915 11.511 1.00 27.96 O HETATM 1455 O HOH 6 -17.509 13.368 1.978 1.00 17.40 O HETATM 1456 O HOH 7 -20.973 0.999 21.936 1.00 23.41 O HETATM 1457 O HOH 8 -22.164 22.924 14.827 1.00 30.61 O HETATM 1458 O HOH 9 -31.082 9.658 9.701 1.00 33.61 O HETATM 1459 O HOH 10 -13.885 12.142 2.829 1.00 26.94 O HETATM 1460 O HOH 11 -14.348 8.469 22.551 1.00 32.42 O HETATM 1461 O HOH 12 -25.881 34.474 -9.695 1.00 34.96 O HETATM 1462 O HOH 13 -14.066 36.738 -1.129 1.00 28.33 O HETATM 1463 O HOH 14 -29.607 11.388 7.049 1.00 30.22 O HETATM 1464 O HOH 15 -32.444 11.431 7.869 1.00 37.78 O HETATM 1465 O HOH 16 -18.343 19.390 4.708 1.00 18.92 O HETATM 1466 O HOH 17 -25.936 37.034 -3.075 1.00 35.55 O HETATM 1467 O HOH 18 -18.933 11.558 9.614 1.00 40.16 O HETATM 1468 O HOH 19 -21.119 9.696 8.781 1.00 32.87 O HETATM 1469 O HOH 20 -21.222 6.230 9.655 1.00 24.50 O HETATM 1470 O HOH 21 -23.380 2.435 23.096 1.00 24.97 O HETATM 1471 O HOH 22 -30.367 8.072 13.427 1.00 29.10 O HETATM 1472 O HOH 23 -21.139 6.900 17.405 1.00 17.25 O HETATM 1473 O HOH 24 -13.384 24.620 -8.873 1.00 29.49 O HETATM 1474 O HOH 25 -19.301 34.760 -12.547 1.00 19.40 O HETATM 1475 O HOH 26 -11.397 20.958 7.873 1.00 24.93 O HETATM 1476 O HOH 27 -35.668 15.144 14.943 1.00 33.74 O HETATM 1477 O HOH 28 -17.372 11.604 -4.987 1.00 39.70 O HETATM 1478 O HOH 29 -10.723 11.634 8.222 1.00 31.94 O HETATM 1479 O HOH 30 -21.970 31.310 -12.728 1.00 16.47 O HETATM 1480 O HOH 31 -34.617 30.482 -0.002 1.00 44.68 O HETATM 1481 O HOH 32 -25.851 13.778 24.496 1.00 28.36 O HETATM 1482 O HOH 33 -34.704 19.536 17.791 1.00 41.97 O HETATM 1483 O HOH 34 -13.316 22.357 16.813 1.00 25.69 O HETATM 1484 O HOH 35 -7.463 20.512 6.324 1.00 43.10 O HETATM 1485 O HOH 36 -26.612 6.456 15.468 1.00 32.96 O HETATM 1486 O HOH 37 -29.024 7.194 25.505 1.00 41.64 O HETATM 1487 O HOH 38 -19.162 4.495 23.527 1.00 22.20 O HETATM 1488 O HOH 39 -5.266 27.144 1.259 1.00 27.13 O HETATM 1489 O HOH 40 -21.794 38.037 -2.762 1.00 28.83 O HETATM 1490 O HOH 41 -25.087 15.098 -2.664 1.00 27.45 O HETATM 1491 O HOH 42 -23.704 1.099 12.562 1.00 20.36 O HETATM 1492 O HOH 43 -35.171 21.415 9.154 1.00 38.88 O HETATM 1493 O HOH 44 -20.087 1.539 16.691 1.00 34.24 O HETATM 1494 O HOH 45 -7.984 29.761 -5.256 1.00 24.32 O HETATM 1495 O HOH 46 -30.986 7.724 19.896 1.00 37.75 O HETATM 1496 O HOH 47 -9.285 21.659 9.737 1.00 29.75 O HETATM 1497 O HOH 48 -20.801 39.040 10.689 1.00 46.07 O HETATM 1498 O HOH 49 -12.289 24.385 -3.635 1.00 23.54 O HETATM 1499 O HOH 50 -22.942 37.666 -12.255 1.00 46.14 O HETATM 1500 O HOH 51 -17.556 0.393 21.446 1.00 28.39 O HETATM 1501 O HOH 52 -22.916 18.490 25.509 1.00 36.05 O HETATM 1502 O HOH 53 -31.522 10.643 22.801 1.00 28.68 O HETATM 1503 O HOH 54 -7.973 9.056 13.661 1.00 44.20 O HETATM 1504 O HOH 55 -24.732 23.370 14.003 1.00 26.99 O HETATM 1505 O HOH 56 -18.823 26.251 19.549 1.00 23.72 O HETATM 1506 O HOH 57 -21.424 25.856 18.427 1.00 24.93 O HETATM 1507 O HOH 58 -30.730 17.957 21.799 1.00 37.65 O HETATM 1508 O HOH 59 -28.526 17.243 23.589 1.00 52.55 O HETATM 1509 O HOH 60 -25.835 0.466 20.456 1.00 22.89 O HETATM 1510 O HOH 61 -27.119 23.600 20.691 1.00 29.39 O HETATM 1511 O HOH 62 -41.407 34.052 3.931 1.00 50.36 O HETATM 1512 O HOH 63 -20.279 18.969 27.555 1.00 30.73 O HETATM 1513 O HOH 64 -25.163 31.935 -8.970 1.00 27.25 O HETATM 1514 O HOH 65 -10.398 28.204 -12.538 1.00 32.33 O HETATM 1515 O HOH 66 -25.154 15.786 26.246 1.00 35.05 O HETATM 1516 O HOH 67 -19.374 40.965 1.722 1.00 37.18 O HETATM 1517 O HOH 68 -15.170 29.669 14.450 1.00 29.12 O HETATM 1518 O HOH 69 -6.512 11.603 15.050 1.00 32.56 O HETATM 1519 O HOH 70 -18.546 22.627 -10.307 1.00 52.65 O HETATM 1520 O HOH 71 -23.952 36.516 -8.702 1.00 21.17 O HETATM 1521 O HOH 72 -12.548 10.207 6.907 1.00 21.71 O HETATM 1522 O HOH 73 -22.078 28.886 17.875 1.00 34.85 O HETATM 1523 O HOH 74 -23.797 37.487 -4.869 1.00 26.82 O HETATM 1524 O HOH 75 -10.578 32.092 9.125 1.00 34.32 O HETATM 1525 O HOH 76 -10.015 12.795 3.366 1.00 44.40 O HETATM 1526 O HOH 77 -25.181 -2.898 11.276 1.00 28.63 O HETATM 1527 O HOH 78 -33.638 23.738 1.106 1.00 33.28 O HETATM 1528 O HOH 79 -29.257 20.674 -1.456 1.00 12.78 O HETATM 1529 O HOH 80 -31.685 34.019 -3.045 1.00 22.33 O HETATM 1530 O HOH 81 -13.060 23.580 -6.294 1.00 17.67 O HETATM 1531 O HOH 82 -32.908 15.625 19.397 1.00 48.58 O HETATM 1532 O HOH 83 -30.760 4.977 24.677 1.00 41.67 O HETATM 1533 O HOH 84 -15.838 40.397 -4.728 1.00 44.22 O HETATM 1534 O HOH 85 -13.543 0.000 19.153 1.00 20.23 O HETATM 1535 O HOH 86 -5.494 28.401 -5.123 1.00 38.12 O HETATM 1536 O HOH 87 -16.250 1.489 23.883 1.00 24.06 O HETATM 1537 O HOH 88 -10.750 20.124 -0.472 1.00 40.58 O HETATM 1538 O HOH 89 -20.938 40.389 -4.662 1.00 43.57 O HETATM 1539 O HOH 90 -28.100 6.156 18.666 1.00 36.29 O HETATM 1540 O HOH 91 -10.782 22.042 -2.669 1.00 37.76 O HETATM 1541 O HOH 92 -16.157 5.690 26.456 1.00 21.17 O HETATM 1542 O HOH 93 -28.210 6.586 28.201 1.00 51.21 O HETATM 1543 O HOH 94 -6.054 14.307 8.385 1.00 45.86 O HETATM 1544 O HOH 95 -28.662 37.942 -3.558 1.00 42.21 O HETATM 1545 O HOH 96 -30.372 9.614 25.519 1.00 42.35 O HETATM 1546 O HOH 97 -2.943 15.813 16.746 1.00 45.73 O HETATM 1547 O HOH 98 -24.797 12.096 -8.965 1.00 51.40 O HETATM 1548 O HOH 99 -28.822 19.505 28.099 1.00 47.09 O HETATM 1549 CAK UNN A 100 -21.183 33.873 4.096 1.00 -0.01 C HETATM 1550 CAL UNN A 100 -22.188 34.990 4.326 1.00 -0.03 C HETATM 1551 NAM UNN A 100 -21.922 35.528 5.679 1.00 0.23 N HETATM 1552 CAN UNN A 100 -22.144 34.503 6.723 1.00 -0.03 C HETATM 1553 CAO UNN A 100 -21.195 33.322 6.531 1.00 -0.01 C HETATM 1554 CAJ UNN A 100 -21.348 32.750 5.124 1.00 -0.01 C HETATM 1555 CAI UNN A 100 -20.284 31.664 4.923 1.00 0.04 C HETATM 1556 NAH UNN A 100 -20.266 31.229 3.489 1.00 -0.22 N HETATM 1557 CAA UNN A 100 -18.988 30.616 3.113 1.00 0.06 C HETATM 1558 CAB UNN A 100 -18.247 31.578 2.378 1.00 -0.03 C HETATM 1559 CAC UNN A 100 -17.264 32.368 2.993 1.00 -0.04 C HETATM 1560 CAD UNN A 100 -16.537 33.308 2.251 1.00 0.04 C HETATM 1561 NBP UNN A 100 -15.599 34.062 2.839 1.00 -0.34 N HETATM 1562 H17 UNN A 100 -15.404 33.950 3.844 1.00 0.17 H HETATM 1563 H18 UNN A 100 -15.073 34.754 2.286 1.00 0.17 H HETATM 1564 CAE UNN A 100 -16.755 33.510 0.876 1.00 0.02 C HETATM 1565 CBQ UNN A 100 -16.021 34.470 0.133 1.00 0.05 C HETATM 1566 OBS UNN A 100 -16.407 34.889 -0.995 1.00 -0.57 O HETATM 1567 OBR UNN A 100 -14.952 34.942 0.603 1.00 -0.57 O HETATM 1568 CAF UNN A 100 -17.732 32.707 0.278 1.00 -0.07 C HETATM 1569 CAG UNN A 100 -18.472 31.760 1.009 1.00 -0.07 C HETATM 1570 H20 UNN A 100 -19.225 31.164 0.506 1.00 0.05 H HETATM 1571 H19 UNN A 100 -17.925 32.818 -0.783 1.00 0.06 H HETATM 1572 H16 UNN A 100 -17.065 32.250 4.052 1.00 0.05 H HETATM 1573 H14 UNN A 100 -19.168 29.727 2.491 1.00 0.06 H HETATM 1574 H15 UNN A 100 -18.432 30.325 4.016 1.00 0.06 H HETATM 1575 SAP UNN A 100 -21.703 30.237 3.003 1.00 0.07 S HETATM 1576 OAQ UNN A 100 -21.564 29.802 1.554 1.00 -0.15 O HETATM 1577 OAR UNN A 100 -22.979 31.021 3.175 1.00 -0.15 O HETATM 1578 CAS UNN A 100 -21.885 28.743 4.000 1.00 0.11 C HETATM 1579 CAX UNN A 100 -20.982 27.712 3.831 1.00 -0.03 C HETATM 1580 CAW UNN A 100 -21.116 26.555 4.585 1.00 -0.03 C HETATM 1581 CAV UNN A 100 -22.163 26.427 5.485 1.00 0.11 C HETATM 1582 CAU UNN A 100 -23.073 27.460 5.664 1.00 -0.03 C HETATM 1583 CAT UNN A 100 -22.937 28.621 4.906 1.00 -0.03 C HETATM 1584 H23 UNN A 100 -23.650 29.430 5.021 1.00 0.06 H HETATM 1585 H24 UNN A 100 -23.878 27.365 6.383 1.00 0.06 H HETATM 1586 SAY UNN A 100 -22.289 24.953 6.410 1.00 0.07 S HETATM 1587 OAZ UNN A 100 -23.203 25.226 7.581 1.00 -0.15 O HETATM 1588 OBA UNN A 100 -20.888 24.649 6.882 1.00 -0.15 O HETATM 1589 NBB UNN A 100 -22.933 23.464 5.473 1.00 -0.22 N HETATM 1590 CBE UNN A 100 -23.679 23.504 4.214 1.00 0.04 C HETATM 1591 CBF UNN A 100 -24.140 24.817 3.792 1.00 -0.03 C HETATM 1592 CBG UNN A 100 -25.170 24.344 2.759 1.00 -0.05 C HETATM 1593 CBH UNN A 100 -25.554 22.906 3.082 1.00 -0.05 C HETATM 1594 CBI UNN A 100 -24.956 22.740 4.432 1.00 -0.03 C HETATM 1595 H32 UNN A 100 -25.579 23.192 5.218 1.00 0.03 H HETATM 1596 H33 UNN A 100 -24.769 21.683 4.674 1.00 0.03 H HETATM 1597 H30 UNN A 100 -25.118 22.201 2.359 1.00 0.03 H HETATM 1598 H31 UNN A 100 -26.646 22.777 3.107 1.00 0.03 H HETATM 1599 H28 UNN A 100 -24.734 24.394 1.750 1.00 0.03 H HETATM 1600 H29 UNN A 100 -26.062 24.985 2.804 1.00 0.03 H HETATM 1601 H26 UNN A 100 -23.337 25.417 3.339 1.00 0.03 H HETATM 1602 H27 UNN A 100 -24.601 25.383 4.614 1.00 0.03 H HETATM 1603 H25 UNN A 100 -23.067 23.052 3.420 1.00 0.05 H HETATM 1604 CBC UNN A 100 -21.868 22.476 5.194 1.00 0.06 C HETATM 1605 CBD UNN A 100 -21.836 21.473 6.153 1.00 -0.02 C HETATM 1606 CBJ UNN A 100 -21.120 20.330 5.847 1.00 -0.06 C HETATM 1607 CBK UNN A 100 -21.039 19.301 6.770 1.00 -0.05 C HETATM 1608 CBL UNN A 100 -21.671 19.435 7.995 1.00 0.03 C HETATM 1609 CL UNN A 100 -21.563 18.208 9.109 1.00 -0.08 CL HETATM 1610 CBM UNN A 100 -22.387 20.574 8.321 1.00 -0.05 C HETATM 1611 CBN UNN A 100 -22.473 21.601 7.395 1.00 -0.06 C HETATM 1612 H39 UNN A 100 -23.031 22.500 7.630 1.00 0.06 H HETATM 1613 H38 UNN A 100 -22.873 20.661 9.286 1.00 0.06 H HETATM 1614 H37 UNN A 100 -20.486 18.399 6.536 1.00 0.06 H HETATM 1615 H36 UNN A 100 -20.624 20.240 4.888 1.00 0.06 H HETATM 1616 H34 UNN A 100 -20.896 22.992 5.185 1.00 0.06 H HETATM 1617 H35 UNN A 100 -22.052 22.022 4.209 1.00 0.06 H HETATM 1618 H22 UNN A 100 -20.400 25.749 4.470 1.00 0.06 H HETATM 1619 H21 UNN A 100 -20.174 27.806 3.114 1.00 0.06 H HETATM 1620 H12 UNN A 100 -20.518 30.801 5.563 1.00 0.05 H HETATM 1621 H13 UNN A 100 -19.297 32.066 5.195 1.00 0.05 H HETATM 1622 H11 UNN A 100 -22.348 32.305 5.013 1.00 0.03 H HETATM 1623 H9 UNN A 100 -21.432 32.541 7.269 1.00 0.03 H HETATM 1624 H10 UNN A 100 -20.159 33.661 6.675 1.00 0.03 H HETATM 1625 H7 UNN A 100 -23.182 34.145 6.663 1.00 0.08 H HETATM 1626 H8 UNN A 100 -21.967 34.951 7.712 1.00 0.08 H HETATM 1627 H5 UNN A 100 -22.538 36.307 5.849 1.00 0.20 H HETATM 1628 H6 UNN A 100 -20.965 35.840 5.725 1.00 0.20 H HETATM 1629 H3 UNN A 100 -23.213 34.595 4.270 1.00 0.08 H HETATM 1630 H4 UNN A 100 -22.057 35.779 3.571 1.00 0.08 H HETATM 1631 H1 UNN A 100 -20.166 34.285 4.176 1.00 0.03 H HETATM 1632 H2 UNN A 100 -21.332 33.459 3.088 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1109 1110 1114 1115 1116 CONECT 1114 1109 CONECT 1115 1109 CONECT 1116 1109 CONECT 1549 1550 1554 1631 1632 CONECT 1550 1549 1551 1629 1630 CONECT 1551 1550 1552 1627 1628 CONECT 1552 1551 1553 1625 1626 CONECT 1553 1552 1554 1623 1624 CONECT 1554 1549 1553 1555 1622 CONECT 1555 1554 1556 1620 1621 CONECT 1556 1555 1557 1575 CONECT 1557 1556 1558 1573 1574 CONECT 1558 1557 1559 1569 CONECT 1559 1558 1560 1572 CONECT 1560 1559 1561 1564 CONECT 1561 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1560 1565 1568 CONECT 1565 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 CONECT 1568 1564 1569 1571 CONECT 1569 1558 1568 1570 CONECT 1570 1569 CONECT 1571 1568 CONECT 1572 1559 CONECT 1573 1557 CONECT 1574 1557 CONECT 1575 1556 1576 1577 1578 CONECT 1576 1575 CONECT 1577 1575 CONECT 1578 1575 1579 1583 CONECT 1579 1578 1580 1619 CONECT 1580 1579 1581 1618 CONECT 1581 1580 1582 1586 CONECT 1582 1581 1583 1585 CONECT 1583 1578 1582 1584 CONECT 1584 1583 CONECT 1585 1582 CONECT 1586 1581 1587 1588 1589 CONECT 1587 1586 CONECT 1588 1586 CONECT 1589 1586 1590 1604 CONECT 1590 1589 1591 1594 1603 CONECT 1591 1590 1592 1601 1602 CONECT 1592 1591 1593 1599 1600 CONECT 1593 1592 1594 1597 1598 CONECT 1594 1590 1593 1595 1596 CONECT 1595 1594 CONECT 1596 1594 CONECT 1597 1593 CONECT 1598 1593 CONECT 1599 1592 CONECT 1600 1592 CONECT 1601 1591 CONECT 1602 1591 CONECT 1603 1590 CONECT 1604 1589 1605 1616 1617 CONECT 1605 1604 1606 1611 CONECT 1606 1605 1607 1615 CONECT 1607 1606 1608 1614 CONECT 1608 1607 1609 1610 CONECT 1609 1608 CONECT 1610 1608 1611 1613 CONECT 1611 1605 1610 1612 CONECT 1612 1611 CONECT 1613 1610 CONECT 1614 1607 CONECT 1615 1606 CONECT 1616 1604 CONECT 1617 1604 CONECT 1618 1580 CONECT 1619 1579 CONECT 1620 1555 CONECT 1621 1555 CONECT 1622 1554 CONECT 1623 1553 CONECT 1624 1553 CONECT 1625 1552 CONECT 1626 1552 CONECT 1627 1551 CONECT 1628 1551 CONECT 1629 1550 CONECT 1630 1550 CONECT 1631 1549 CONECT 1632 1549 MASTER 0 0 0 0 0 0 0 0 1630 2 92 12 END
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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
5ml6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Ligand Name
9GD
EC.Number
E.C.-.-.-.-
Resolution
1.87(Å)
Affinity (Kd/Ki/IC50)
Kd=358pM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 2423-2428
Ligand Properties
Formula
C
3
2
H
4
0
ClN
4
O
6
S
2
Molecular Weight
676.266
Exact Mass
675.208
No. of atoms
85
No. of bonds
89
Polar Surface Area
171.45
LOGP Value
3.62 (
Computed with XLOGP3
)
8.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
Clc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(c(c1)N)C(=O)O)CC1CC[NH2+]CC1)C1CCCC1
InChI String
InChI=1S/C32H39ClN4O6S2/c33-26-8-5-23(6-9-26)22-37(27-3-1-2-4-27)45(42,43)29-12-10-28(11-13-29)44(40,41)36(20-24-15-17-35-18-16-24)21-25-7-14-30(32(38)39)31(34)19-25/h5-14,19,24,27,35H,1-4,15-18,20-22,34H2,(H,38,39)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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