Browse entries in the PDBbind-CN Database
HEADER 6PRF_COMPLEX COMPND 6PRF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO PHE VAL THR VAL SEQRES 2 A 99 LYS VAL GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASN THR ILE PHE GLU ASP ILE ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET VAL GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE LEU LYS VAL ARG GLU TYR ASP GLN VAL PRO ILE GLU SEQRES 6 A 99 ILE ALA GLY HIS LYS VAL ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN VAL ILE GLY ARG ASP THR MET THR SEQRES 8 A 99 GLN ILE GLY ALA THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO PHE VAL THR VAL SEQRES 2 B 99 LYS VAL GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASN THR ILE PHE GLU ASP ILE ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET VAL GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE LEU LYS VAL ARG GLU TYR ASP GLN VAL PRO ILE GLU SEQRES 6 B 99 ILE ALA GLY HIS LYS VAL ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN VAL ILE GLY ARG ASP THR MET THR SEQRES 8 B 99 GLN ILE GLY ALA THR LEU ASN PHE HET MOL A 400 88 ATOM 1 N PRO A 1 -38.526 8.857 5.356 1.00 25.68 N ATOM 2 CA PRO A 1 -38.782 8.904 3.893 1.00 24.98 C ATOM 3 C PRO A 1 -38.614 7.547 3.196 1.00 21.69 C ATOM 4 O PRO A 1 -38.063 6.626 3.772 1.00 22.93 O ATOM 5 CB PRO A 1 -37.621 9.813 3.424 1.00 37.29 C ATOM 6 CG PRO A 1 -37.175 10.574 4.674 1.00 36.64 C ATOM 7 CD PRO A 1 -37.314 9.580 5.808 1.00 32.68 C ATOM 8 HN2 PRO A 1 -38.428 7.860 5.634 1.00 0.00 H ATOM 9 HN1 PRO A 1 -39.348 9.272 5.840 1.00 0.00 H ATOM 10 N GLN A 2 -39.037 7.412 1.949 1.00 21.62 N ATOM 11 CA GLN A 2 -38.645 6.331 1.043 1.00 18.43 C ATOM 12 C GLN A 2 -37.807 6.976 -0.060 1.00 16.00 C ATOM 13 O GLN A 2 -38.195 8.023 -0.622 1.00 18.79 O ATOM 14 CB GLN A 2 -39.899 5.636 0.427 1.00 19.19 C ATOM 15 CG GLN A 2 -39.513 4.412 -0.472 1.00 21.80 C ATOM 16 CD GLN A 2 -40.607 3.518 -1.079 1.00 20.93 C ATOM 17 OE1 GLN A 2 -41.194 3.810 -2.154 1.00 22.96 O ATOM 18 NE2 GLN A 2 -40.884 2.423 -0.366 1.00 27.96 N ATOM 19 HE22 GLN A 2 -40.367 2.232 0.516 1.00 0.00 H ATOM 20 HE21 GLN A 2 -41.617 1.761 -0.693 1.00 0.00 H ATOM 21 H GLN A 2 -39.698 8.128 1.585 1.00 0.00 H ATOM 22 N ILE A 3 -36.669 6.360 -0.399 1.00 14.07 N ATOM 23 CA ILE A 3 -35.822 6.838 -1.498 1.00 13.22 C ATOM 24 C ILE A 3 -35.501 5.706 -2.470 1.00 12.89 C ATOM 25 O ILE A 3 -35.393 4.538 -2.090 1.00 14.45 O ATOM 26 CB ILE A 3 -34.527 7.494 -0.970 1.00 14.26 C ATOM 27 CG1 ILE A 3 -33.668 6.498 -0.173 1.00 15.08 C ATOM 28 CG2 ILE A 3 -34.868 8.752 -0.131 1.00 17.00 C ATOM 29 CD1 ILE A 3 -32.342 7.102 0.250 1.00 17.86 C ATOM 30 H ILE A 3 -36.375 5.516 0.133 1.00 0.00 H ATOM 31 N THR A 4 -35.390 6.076 -3.749 1.00 13.19 N ATOM 32 CA THR A 4 -34.766 5.207 -4.739 1.00 12.87 C ATOM 33 C THR A 4 -33.254 5.365 -4.643 1.00 13.46 C ATOM 34 O THR A 4 -32.740 6.104 -3.799 1.00 13.92 O ATOM 35 CB THR A 4 -35.294 5.505 -6.128 1.00 13.16 C ATOM 36 OG1 THR A 4 -34.998 6.879 -6.375 1.00 15.13 O ATOM 37 CG2 THR A 4 -36.802 5.225 -6.249 1.00 16.27 C ATOM 38 HG1 THR A 4 -34.019 7.018 -6.326 1.00 0.00 H ATOM 39 H THR A 4 -35.756 7.003 -4.044 1.00 0.00 H ATOM 40 N LEU A 5 -32.539 4.647 -5.518 1.00 13.65 N ATOM 41 CA LEU A 5 -31.091 4.570 -5.411 1.00 11.82 C ATOM 42 C LEU A 5 -30.420 5.076 -6.668 1.00 11.88 C ATOM 43 O LEU A 5 -29.245 4.802 -6.902 1.00 12.67 O ATOM 44 CB LEU A 5 -30.684 3.137 -5.088 1.00 12.15 C ATOM 45 CG LEU A 5 -31.107 2.665 -3.696 1.00 13.84 C ATOM 46 CD1 LEU A 5 -30.909 1.169 -3.567 1.00 17.07 C ATOM 47 CD2 LEU A 5 -30.323 3.429 -2.597 1.00 15.39 C ATOM 48 H LEU A 5 -33.025 4.138 -6.284 1.00 0.00 H ATOM 49 N TRP A 6 -31.120 5.903 -7.445 1.00 13.16 N ATOM 50 CA TRP A 6 -30.519 6.559 -8.595 1.00 14.39 C ATOM 51 C TRP A 6 -29.425 7.545 -8.197 1.00 15.68 C ATOM 52 O TRP A 6 -28.484 7.700 -8.944 1.00 18.24 O ATOM 53 CB TRP A 6 -31.600 7.273 -9.423 1.00 15.08 C ATOM 54 CG TRP A 6 -32.579 6.304 -9.991 1.00 15.21 C ATOM 55 CD1 TRP A 6 -33.816 6.026 -9.495 1.00 19.37 C ATOM 56 CD2 TRP A 6 -32.377 5.444 -11.114 1.00 14.68 C ATOM 57 NE1 TRP A 6 -34.389 5.048 -10.233 1.00 19.71 N ATOM 58 CE2 TRP A 6 -33.539 4.654 -11.239 1.00 15.81 C ATOM 59 CE3 TRP A 6 -31.336 5.291 -12.038 1.00 16.75 C ATOM 60 CZ2 TRP A 6 -33.708 3.739 -12.270 1.00 16.70 C ATOM 61 CZ3 TRP A 6 -31.513 4.370 -13.054 1.00 19.65 C ATOM 62 CH2 TRP A 6 -32.678 3.606 -13.163 1.00 18.36 C ATOM 63 HE1 TRP A 6 -35.335 4.652 -10.064 1.00 0.00 H ATOM 64 H TRP A 6 -32.120 6.083 -7.223 1.00 0.00 H ATOM 65 N LYS A 7 -29.677 8.261 -7.073 1.00 16.47 N ATOM 66 CA LYS A 7 -28.749 9.196 -6.392 1.00 14.96 C ATOM 67 C LYS A 7 -27.943 8.433 -5.292 1.00 18.43 C ATOM 68 O LYS A 7 -28.551 7.509 -4.752 1.00 16.34 O ATOM 69 CB LYS A 7 -29.578 10.403 -5.883 1.00 17.70 C ATOM 70 CG LYS A 7 -30.176 11.243 -7.017 1.00 23.50 C ATOM 71 CD LYS A 7 -31.574 11.804 -6.865 1.00 31.07 C ATOM 72 CE LYS A 7 -32.633 10.791 -7.233 1.00 24.30 C ATOM 73 NZ LYS A 7 -33.983 11.244 -6.833 1.00 21.27 N ATOM 74 HZ1 LYS A 7 -34.008 11.387 -5.803 1.00 0.00 H ATOM 75 HZ2 LYS A 7 -34.203 12.139 -7.314 1.00 0.00 H ATOM 76 HZ3 LYS A 7 -34.683 10.523 -7.102 1.00 0.00 H ATOM 77 H LYS A 7 -30.617 8.142 -6.645 1.00 0.00 H ATOM 78 N ARG A 8 -26.624 8.730 -4.947 1.00 18.17 N ATOM 79 CA ARG A 8 -26.040 8.238 -3.683 1.00 17.19 C ATOM 80 C ARG A 8 -26.933 8.670 -2.528 1.00 15.08 C ATOM 81 O ARG A 8 -27.340 9.848 -2.450 1.00 16.84 O ATOM 82 CB ARG A 8 -24.673 8.838 -3.321 1.00 17.87 C ATOM 83 CG ARG A 8 -23.536 8.427 -4.255 1.00 21.69 C ATOM 84 CD ARG A 8 -22.057 8.635 -3.827 1.00 24.18 C ATOM 85 NE ARG A 8 -21.647 9.999 -3.553 1.00 37.48 N ATOM 86 CZ ARG A 8 -20.390 10.388 -3.290 1.00 35.65 C ATOM 87 NH1 ARG A 8 -19.392 9.514 -3.264 1.00 30.76 N ATOM 88 NH2 ARG A 8 -20.151 11.662 -3.055 1.00 39.74 N ATOM 89 HE ARG A 8 -22.384 10.732 -3.561 1.00 0.00 H ATOM 90 HH12 ARG A 8 -18.425 9.835 -3.058 1.00 0.00 H ATOM 91 HH11 ARG A 8 -19.577 8.508 -3.449 1.00 0.00 H ATOM 92 HH22 ARG A 8 -19.182 11.980 -2.850 1.00 0.00 H ATOM 93 HH21 ARG A 8 -20.931 12.350 -3.075 1.00 0.00 H ATOM 94 H ARG A 8 -26.044 9.306 -5.589 1.00 0.00 H ATOM 95 N PRO A 9 -27.269 7.767 -1.590 1.00 14.61 N ATOM 96 CA PRO A 9 -28.248 8.073 -0.544 1.00 14.04 C ATOM 97 C PRO A 9 -27.650 8.830 0.640 1.00 14.25 C ATOM 98 O PRO A 9 -27.583 8.324 1.769 1.00 14.87 O ATOM 99 CB PRO A 9 -28.753 6.676 -0.143 1.00 15.02 C ATOM 100 CG PRO A 9 -27.566 5.770 -0.359 1.00 16.54 C ATOM 101 CD PRO A 9 -26.961 6.331 -1.636 1.00 14.50 C ATOM 102 N PHE A 10 -27.229 10.071 0.414 1.00 14.82 N ATOM 103 CA PHE A 10 -26.789 10.940 1.493 1.00 15.41 C ATOM 104 C PHE A 10 -27.966 11.444 2.293 1.00 15.32 C ATOM 105 O PHE A 10 -28.995 11.825 1.769 1.00 17.23 O ATOM 106 CB PHE A 10 -26.006 12.134 0.945 1.00 16.70 C ATOM 107 CG PHE A 10 -24.588 11.759 0.601 1.00 18.73 C ATOM 108 CD1 PHE A 10 -23.664 11.527 1.611 1.00 17.96 C ATOM 109 CD2 PHE A 10 -24.224 11.529 -0.721 1.00 21.34 C ATOM 110 CE1 PHE A 10 -22.354 11.224 1.314 1.00 19.53 C ATOM 111 CE2 PHE A 10 -22.917 11.167 -1.020 1.00 24.98 C ATOM 112 CZ PHE A 10 -21.989 10.998 -0.013 1.00 24.40 C ATOM 113 H PHE A 10 -27.214 10.430 -0.562 1.00 0.00 H ATOM 114 N VAL A 11 -27.707 11.569 3.593 1.00 14.06 N ATOM 115 CA VAL A 11 -28.627 12.229 4.524 1.00 14.88 C ATOM 116 C VAL A 11 -27.804 13.206 5.364 1.00 13.15 C ATOM 117 O VAL A 11 -26.588 13.048 5.565 1.00 14.95 O ATOM 118 CB VAL A 11 -29.353 11.193 5.422 1.00 17.85 C ATOM 119 CG1 VAL A 11 -30.352 10.370 4.621 1.00 21.15 C ATOM 120 CG2 VAL A 11 -28.388 10.326 6.251 1.00 19.41 C ATOM 121 H VAL A 11 -26.815 11.182 3.963 1.00 0.00 H ATOM 122 N THR A 12 -28.470 14.219 5.858 1.00 14.05 N ATOM 123 CA THR A 12 -27.873 15.210 6.745 1.00 13.81 C ATOM 124 C THR A 12 -28.112 14.748 8.165 1.00 14.28 C ATOM 125 O THR A 12 -29.233 14.401 8.538 1.00 18.76 O ATOM 126 CB THR A 12 -28.475 16.602 6.487 1.00 16.86 C ATOM 127 OG1 THR A 12 -28.244 16.956 5.104 1.00 18.47 O ATOM 128 CG2 THR A 12 -27.869 17.664 7.373 1.00 23.36 C ATOM 129 HG1 THR A 12 -28.677 16.287 4.517 1.00 0.00 H ATOM 130 H THR A 12 -29.474 14.322 5.605 1.00 0.00 H ATOM 131 N VAL A 13 -27.043 14.778 8.977 1.00 13.35 N ATOM 132 CA VAL A 13 -27.142 14.349 10.355 1.00 14.49 C ATOM 133 C VAL A 13 -26.461 15.368 11.258 1.00 13.07 C ATOM 134 O VAL A 13 -25.670 16.205 10.825 1.00 15.24 O ATOM 135 CB VAL A 13 -26.590 12.960 10.621 1.00 17.50 C ATOM 136 CG1 VAL A 13 -27.283 11.950 9.725 1.00 19.52 C ATOM 137 CG2 VAL A 13 -25.139 13.035 10.302 1.00 18.91 C ATOM 138 H VAL A 13 -26.130 15.115 8.610 1.00 0.00 H ATOM 139 N LYS A 14 -26.835 15.297 12.521 1.00 13.11 N ATOM 140 CA LYS A 14 -26.101 16.047 13.557 1.00 12.81 C ATOM 141 C LYS A 14 -25.515 14.971 14.470 1.00 12.20 C ATOM 142 O LYS A 14 -26.243 14.166 15.026 1.00 16.36 O ATOM 143 CB LYS A 14 -27.059 17.007 14.282 1.00 16.38 C ATOM 144 CG LYS A 14 -26.356 17.917 15.274 1.00 18.66 C ATOM 145 CD LYS A 14 -27.405 18.980 15.721 1.00 27.89 C ATOM 146 CE LYS A 14 -26.979 19.924 16.783 1.00 33.64 C ATOM 147 NZ LYS A 14 -28.238 20.457 17.315 1.00 30.55 N ATOM 148 HZ1 LYS A 14 -28.760 20.935 16.553 1.00 0.00 H ATOM 149 HZ2 LYS A 14 -28.812 19.676 17.693 1.00 0.00 H ATOM 150 HZ3 LYS A 14 -28.032 21.136 18.075 1.00 0.00 H ATOM 151 H LYS A 14 -27.651 14.710 12.787 1.00 0.00 H ATOM 152 N VAL A 15 -24.188 14.943 14.585 1.00 11.74 N ATOM 153 CA VAL A 15 -23.499 13.893 15.352 1.00 12.18 C ATOM 154 C VAL A 15 -22.603 14.621 16.330 1.00 12.26 C ATOM 155 O VAL A 15 -21.758 15.456 15.963 1.00 12.81 O ATOM 156 CB VAL A 15 -22.725 12.916 14.437 1.00 13.41 C ATOM 157 CG1 VAL A 15 -21.810 13.629 13.418 1.00 16.02 C ATOM 158 CG2 VAL A 15 -21.977 11.874 15.311 1.00 15.72 C ATOM 159 H VAL A 15 -23.624 15.683 14.120 1.00 0.00 H ATOM 160 N GLY A 16 -22.824 14.345 17.618 1.00 14.40 N ATOM 161 CA GLY A 16 -22.088 15.079 18.649 1.00 15.95 C ATOM 162 C GLY A 16 -22.144 16.606 18.447 1.00 15.40 C ATOM 163 O GLY A 16 -21.130 17.302 18.638 1.00 16.04 O ATOM 164 H GLY A 16 -23.514 13.614 17.886 1.00 0.00 H ATOM 165 N GLY A 17 -23.276 17.121 18.008 1.00 16.60 N ATOM 166 CA GLY A 17 -23.362 18.587 17.910 1.00 16.31 C ATOM 167 C GLY A 17 -22.878 19.176 16.594 1.00 14.69 C ATOM 168 O GLY A 17 -23.049 20.373 16.377 1.00 15.49 O ATOM 169 H GLY A 17 -24.077 16.514 17.741 1.00 0.00 H ATOM 170 N GLN A 18 -22.327 18.331 15.700 1.00 12.25 N ATOM 171 CA GLN A 18 -21.712 18.792 14.450 1.00 11.72 C ATOM 172 C GLN A 18 -22.606 18.356 13.301 1.00 11.62 C ATOM 173 O GLN A 18 -23.085 17.238 13.236 1.00 13.26 O ATOM 174 CB GLN A 18 -20.308 18.149 14.347 1.00 13.04 C ATOM 175 CG GLN A 18 -19.400 18.780 15.390 1.00 14.63 C ATOM 176 CD GLN A 18 -18.362 17.824 15.965 1.00 13.99 C ATOM 177 OE1 GLN A 18 -18.625 17.075 16.926 1.00 22.52 O ATOM 178 NE2 GLN A 18 -17.231 17.811 15.404 1.00 13.38 N ATOM 179 HE22 GLN A 18 -17.040 18.447 14.604 1.00 0.00 H ATOM 180 HE21 GLN A 18 -16.490 17.164 15.742 1.00 0.00 H ATOM 181 H GLN A 18 -22.338 17.311 15.904 1.00 0.00 H ATOM 182 N LEU A 19 -22.751 19.219 12.276 1.00 12.48 N ATOM 183 CA LEU A 19 -23.598 18.894 11.131 1.00 12.39 C ATOM 184 C LEU A 19 -22.735 18.241 10.074 1.00 13.40 C ATOM 185 O LEU A 19 -21.656 18.755 9.708 1.00 14.83 O ATOM 186 CB LEU A 19 -24.136 20.205 10.558 1.00 14.72 C ATOM 187 CG LEU A 19 -24.932 21.055 11.559 1.00 16.70 C ATOM 188 CD1 LEU A 19 -25.578 22.198 10.822 1.00 18.88 C ATOM 189 CD2 LEU A 19 -26.012 20.279 12.356 1.00 23.68 C ATOM 190 H LEU A 19 -22.252 20.131 12.301 1.00 0.00 H ATOM 191 N LYS A 20 -23.207 17.083 9.548 1.00 12.38 N ATOM 192 CA LYS A 20 -22.425 16.347 8.550 1.00 12.56 C ATOM 193 C LYS A 20 -23.382 15.716 7.546 1.00 12.93 C ATOM 194 O LYS A 20 -24.574 15.544 7.841 1.00 15.59 O ATOM 195 CB LYS A 20 -21.618 15.229 9.221 1.00 15.37 C ATOM 196 CG LYS A 20 -20.511 15.721 10.144 1.00 18.04 C ATOM 197 CD LYS A 20 -19.419 16.515 9.354 1.00 23.81 C ATOM 198 CE LYS A 20 -18.078 16.710 10.004 1.00 28.83 C ATOM 199 NZ LYS A 20 -17.157 17.382 9.063 1.00 40.46 N ATOM 200 HZ1 LYS A 20 -17.045 16.796 8.212 1.00 0.00 H ATOM 201 HZ2 LYS A 20 -17.549 18.308 8.798 1.00 0.00 H ATOM 202 HZ3 LYS A 20 -16.232 17.513 9.520 1.00 0.00 H ATOM 203 H LYS A 20 -24.130 16.715 9.855 1.00 0.00 H ATOM 204 N GLU A 21 -22.865 15.371 6.371 1.00 13.89 N ATOM 205 CA GLU A 21 -23.611 14.496 5.476 1.00 14.53 C ATOM 206 C GLU A 21 -22.972 13.120 5.504 1.00 12.19 C ATOM 207 O GLU A 21 -21.755 12.977 5.676 1.00 14.54 O ATOM 208 CB GLU A 21 -23.477 15.080 4.082 1.00 18.65 C ATOM 209 CG GLU A 21 -24.290 16.369 3.937 1.00 23.96 C ATOM 210 CD GLU A 21 -24.549 16.818 2.510 1.00 25.42 C ATOM 211 OE1 GLU A 21 -25.363 16.138 1.825 1.00 36.33 O ATOM 212 OE2 GLU A 21 -23.914 17.822 2.093 1.00 38.76 O ATOM 213 H GLU A 21 -21.928 15.725 6.091 1.00 0.00 H ATOM 214 N ALA A 22 -23.797 12.091 5.352 1.00 12.40 N ATOM 215 CA ALA A 22 -23.300 10.713 5.416 1.00 11.73 C ATOM 216 C ALA A 22 -24.202 9.814 4.578 1.00 12.32 C ATOM 217 O ALA A 22 -25.387 10.087 4.368 1.00 14.80 O ATOM 218 CB ALA A 22 -23.268 10.215 6.857 1.00 13.47 C ATOM 219 H ALA A 22 -24.809 12.265 5.185 1.00 0.00 H ATOM 220 N LEU A 23 -23.517 8.872 3.967 1.00 12.42 N ATOM 221 CA LEU A 23 -24.099 7.925 3.061 1.00 11.24 C ATOM 222 C LEU A 23 -24.825 6.814 3.863 1.00 10.68 C ATOM 223 O LEU A 23 -24.171 6.183 4.690 1.00 10.03 O ATOM 224 CB LEU A 23 -22.863 7.411 2.313 1.00 13.25 C ATOM 225 CG LEU A 23 -23.193 6.456 1.189 1.00 14.03 C ATOM 226 CD1 LEU A 23 -23.933 7.210 0.073 1.00 13.90 C ATOM 227 CD2 LEU A 23 -21.915 5.769 0.685 1.00 14.80 C ATOM 228 H LEU A 23 -22.495 8.810 4.151 1.00 0.00 H ATOM 229 N LEU A 24 -26.158 6.578 3.664 1.00 12.23 N ATOM 230 CA LEU A 24 -26.968 5.548 4.348 1.00 15.78 C ATOM 231 C LEU A 24 -26.673 4.187 3.725 1.00 13.98 C ATOM 232 O LEU A 24 -27.234 3.869 2.661 1.00 12.05 O ATOM 233 CB LEU A 24 -28.463 5.752 4.078 1.00 16.44 C ATOM 234 CG LEU A 24 -29.303 6.743 4.880 1.00 18.55 C ATOM 235 CD1 LEU A 24 -30.742 6.630 4.339 1.00 18.57 C ATOM 236 CD2 LEU A 24 -29.308 6.358 6.365 1.00 19.48 C ATOM 237 H LEU A 24 -26.646 7.178 2.968 1.00 0.00 H ATOM 238 N ASP A 25 -25.789 3.400 4.365 1.00 13.34 N ATOM 239 CA ASP A 25 -24.970 2.355 3.768 1.00 12.74 C ATOM 240 C ASP A 25 -25.296 0.992 4.338 1.00 12.35 C ATOM 241 O ASP A 25 -24.795 0.583 5.414 1.00 12.13 O ATOM 242 CB ASP A 25 -23.530 2.760 4.044 1.00 12.56 C ATOM 243 CG ASP A 25 -22.593 1.873 3.306 1.00 16.51 C ATOM 244 OD1 ASP A 25 -23.067 0.854 2.717 1.00 17.31 O ATOM 245 OD2 ASP A 25 -21.391 2.142 3.327 1.00 17.44 O ATOM 246 H ASP A 25 -25.680 3.554 5.388 1.00 0.00 H ATOM 247 N THR A 26 -26.122 0.237 3.631 1.00 11.16 N ATOM 248 CA THR A 26 -26.536 -1.064 4.119 1.00 10.18 C ATOM 249 C THR A 26 -25.381 -2.055 4.116 1.00 9.75 C ATOM 250 O THR A 26 -25.485 -3.080 4.796 1.00 10.75 O ATOM 251 CB THR A 26 -27.704 -1.613 3.279 1.00 9.96 C ATOM 252 OG1 THR A 26 -27.310 -1.695 1.891 1.00 10.15 O ATOM 253 CG2 THR A 26 -28.921 -0.701 3.367 1.00 11.62 C ATOM 254 HG1 THR A 26 -26.531 -2.300 1.805 1.00 0.00 H ATOM 255 H THR A 26 -26.478 0.581 2.716 1.00 0.00 H ATOM 256 N GLY A 27 -24.270 -1.750 3.417 1.00 9.92 N ATOM 257 CA GLY A 27 -23.063 -2.559 3.450 1.00 10.04 C ATOM 258 C GLY A 27 -22.130 -2.238 4.592 1.00 10.15 C ATOM 259 O GLY A 27 -21.087 -2.897 4.673 1.00 12.06 O ATOM 260 H GLY A 27 -24.277 -0.895 2.825 1.00 0.00 H ATOM 261 N ALA A 28 -22.479 -1.294 5.455 1.00 10.29 N ATOM 262 CA ALA A 28 -21.607 -0.906 6.574 1.00 10.46 C ATOM 263 C ALA A 28 -22.240 -1.416 7.867 1.00 10.10 C ATOM 264 O ALA A 28 -23.384 -1.119 8.181 1.00 11.33 O ATOM 265 CB ALA A 28 -21.537 0.607 6.636 1.00 12.21 C ATOM 266 H ALA A 28 -23.394 -0.815 5.337 1.00 0.00 H ATOM 267 N ASP A 29 -21.465 -2.189 8.651 1.00 9.65 N ATOM 268 CA ASP A 29 -21.952 -2.628 9.957 1.00 10.18 C ATOM 269 C ASP A 29 -22.019 -1.445 10.915 1.00 10.74 C ATOM 270 O ASP A 29 -22.961 -1.341 11.694 1.00 11.54 O ATOM 271 CB ASP A 29 -21.043 -3.694 10.562 1.00 11.80 C ATOM 272 CG ASP A 29 -20.883 -4.990 9.831 1.00 13.56 C ATOM 273 OD1 ASP A 29 -21.742 -5.302 8.989 1.00 14.37 O ATOM 274 OD2 ASP A 29 -19.951 -5.742 10.190 1.00 19.49 O ATOM 275 H ASP A 29 -20.519 -2.474 8.327 1.00 0.00 H ATOM 276 N ASN A 30 -21.000 -0.591 10.865 1.00 11.13 N ATOM 277 CA ASN A 30 -20.840 0.487 11.821 1.00 11.49 C ATOM 278 C ASN A 30 -20.915 1.842 11.127 1.00 9.85 C ATOM 279 O ASN A 30 -20.747 1.973 9.917 1.00 12.90 O ATOM 280 CB ASN A 30 -19.530 0.293 12.604 1.00 13.25 C ATOM 281 CG ASN A 30 -19.489 -1.108 13.176 1.00 17.44 C ATOM 282 OD1 ASN A 30 -20.448 -1.510 13.839 1.00 19.69 O ATOM 283 ND2 ASN A 30 -18.493 -1.888 12.791 1.00 21.34 N ATOM 284 HD22 ASN A 30 -17.709 -1.493 12.233 1.00 0.00 H ATOM 285 HD21 ASN A 30 -18.493 -2.896 13.047 1.00 0.00 H ATOM 286 H ASN A 30 -20.292 -0.701 10.112 1.00 0.00 H ATOM 287 N THR A 31 -21.120 2.870 11.932 1.00 11.27 N ATOM 288 CA THR A 31 -21.247 4.264 11.508 1.00 10.35 C ATOM 289 C THR A 31 -19.904 4.937 11.716 1.00 10.77 C ATOM 290 O THR A 31 -19.285 4.798 12.785 1.00 11.66 O ATOM 291 CB THR A 31 -22.339 4.895 12.403 1.00 11.38 C ATOM 292 OG1 THR A 31 -23.563 4.227 12.048 1.00 14.61 O ATOM 293 CG2 THR A 31 -22.412 6.382 12.199 1.00 12.82 C ATOM 294 HG1 THR A 31 -24.306 4.591 12.592 1.00 0.00 H ATOM 295 H THR A 31 -21.197 2.671 12.950 1.00 0.00 H ATOM 296 N ILE A 32 -19.416 5.614 10.676 1.00 10.22 N ATOM 297 CA ILE A 32 -18.063 6.175 10.676 1.00 10.40 C ATOM 298 C ILE A 32 -18.080 7.591 10.116 1.00 9.96 C ATOM 299 O ILE A 32 -18.648 7.837 9.037 1.00 11.31 O ATOM 300 CB ILE A 32 -17.104 5.319 9.812 1.00 11.99 C ATOM 301 CG1 ILE A 32 -17.259 3.815 10.068 1.00 13.76 C ATOM 302 CG2 ILE A 32 -15.658 5.806 10.003 1.00 12.67 C ATOM 303 CD1 ILE A 32 -16.350 2.966 9.208 1.00 16.32 C ATOM 304 H ILE A 32 -20.016 5.748 9.837 1.00 0.00 H ATOM 305 N PHE A 33 -17.430 8.490 10.845 1.00 10.61 N ATOM 306 CA PHE A 33 -17.241 9.877 10.414 1.00 11.02 C ATOM 307 C PHE A 33 -15.774 10.271 10.456 1.00 11.80 C ATOM 308 O PHE A 33 -15.060 9.895 11.408 1.00 12.47 O ATOM 309 CB PHE A 33 -17.975 10.850 11.373 1.00 13.63 C ATOM 310 CG PHE A 33 -19.450 10.855 11.115 1.00 13.06 C ATOM 311 CD1 PHE A 33 -20.265 9.927 11.748 1.00 13.17 C ATOM 312 CD2 PHE A 33 -20.019 11.764 10.231 1.00 12.75 C ATOM 313 CE1 PHE A 33 -21.623 9.871 11.470 1.00 13.52 C ATOM 314 CE2 PHE A 33 -21.389 11.717 9.959 1.00 12.41 C ATOM 315 CZ PHE A 33 -22.177 10.758 10.560 1.00 13.26 C ATOM 316 H PHE A 33 -17.038 8.197 11.762 1.00 0.00 H ATOM 317 N GLU A 34 -15.411 11.141 9.499 1.00 12.84 N ATOM 318 CA GLU A 34 -14.131 11.835 9.543 1.00 14.31 C ATOM 319 C GLU A 34 -14.374 13.256 10.078 1.00 15.62 C ATOM 320 O GLU A 34 -15.460 13.827 9.938 1.00 18.83 O ATOM 321 CB GLU A 34 -13.518 11.921 8.139 1.00 17.89 C ATOM 322 CG GLU A 34 -12.111 12.490 8.214 1.00 27.71 C ATOM 323 CD GLU A 34 -11.373 12.680 6.918 1.00 34.68 C ATOM 324 OE1 GLU A 34 -12.068 12.891 5.895 1.00 46.87 O ATOM 325 OE2 GLU A 34 -10.110 12.691 6.981 1.00 40.45 O ATOM 326 H GLU A 34 -16.060 11.324 8.707 1.00 0.00 H ATOM 327 N ASP A 35 -13.356 13.783 10.719 1.00 21.06 N ATOM 328 CA ASP A 35 -13.327 15.201 11.046 1.00 25.40 C ATOM 329 C ASP A 35 -14.492 15.630 11.912 1.00 21.51 C ATOM 330 O ASP A 35 -15.179 16.651 11.693 1.00 22.86 O ATOM 331 CB ASP A 35 -13.396 16.101 9.828 1.00 30.71 C ATOM 332 CG ASP A 35 -12.199 15.897 8.927 1.00 39.58 C ATOM 333 OD1 ASP A 35 -11.041 15.729 9.450 1.00 39.05 O ATOM 334 OD2 ASP A 35 -12.451 15.774 7.732 1.00 65.94 O ATOM 335 H ASP A 35 -12.558 13.177 10.997 1.00 0.00 H ATOM 336 N ILE A 36 -14.693 14.859 12.955 1.00 17.35 N ATOM 337 CA ILE A 36 -15.528 15.295 14.036 1.00 14.70 C ATOM 338 C ILE A 36 -14.747 15.102 15.305 1.00 14.19 C ATOM 339 O ILE A 36 -13.809 14.282 15.385 1.00 17.92 O ATOM 340 CB ILE A 36 -16.861 14.571 14.133 1.00 15.25 C ATOM 341 CG1 ILE A 36 -16.727 13.060 14.366 1.00 14.52 C ATOM 342 CG2 ILE A 36 -17.752 14.920 12.918 1.00 18.34 C ATOM 343 CD1 ILE A 36 -18.069 12.388 14.744 1.00 15.23 C ATOM 344 H ILE A 36 -14.242 13.923 12.998 1.00 0.00 H ATOM 345 N ASN A 37 -15.107 15.920 16.300 1.00 14.57 N ATOM 346 CA ASN A 37 -14.471 15.643 17.567 1.00 16.20 C ATOM 347 C ASN A 37 -15.535 15.386 18.618 1.00 16.37 C ATOM 348 O ASN A 37 -16.595 16.048 18.647 1.00 17.71 O ATOM 349 CB ASN A 37 -13.396 16.631 18.020 1.00 23.58 C ATOM 350 CG ASN A 37 -14.049 17.883 18.558 1.00 21.01 C ATOM 351 OD1 ASN A 37 -14.826 18.510 17.844 1.00 21.74 O ATOM 352 ND2 ASN A 37 -13.833 18.163 19.835 1.00 26.27 N ATOM 353 HD22 ASN A 37 -13.161 17.592 20.386 1.00 0.00 H ATOM 354 HD21 ASN A 37 -14.336 18.954 20.286 1.00 0.00 H ATOM 355 H ASN A 37 -15.790 16.694 16.172 1.00 0.00 H ATOM 356 N LEU A 38 -15.262 14.333 19.372 1.00 16.00 N ATOM 357 CA LEU A 38 -16.174 13.824 20.357 1.00 14.31 C ATOM 358 C LEU A 38 -15.460 13.784 21.684 1.00 14.91 C ATOM 359 O LEU A 38 -14.248 13.592 21.756 1.00 17.66 O ATOM 360 CB LEU A 38 -16.618 12.399 19.944 1.00 14.74 C ATOM 361 CG LEU A 38 -17.479 12.347 18.678 1.00 13.43 C ATOM 362 CD1 LEU A 38 -17.814 10.901 18.346 1.00 15.57 C ATOM 363 CD2 LEU A 38 -18.757 13.095 18.877 1.00 16.05 C ATOM 364 H LEU A 38 -14.348 13.854 19.245 1.00 0.00 H ATOM 365 N PRO A 39 -16.207 14.045 22.748 1.00 15.43 N ATOM 366 CA PRO A 39 -15.585 14.085 24.081 1.00 17.88 C ATOM 367 C PRO A 39 -15.435 12.706 24.709 1.00 16.94 C ATOM 368 O PRO A 39 -16.092 11.760 24.333 1.00 17.12 O ATOM 369 CB PRO A 39 -16.618 14.913 24.886 1.00 20.35 C ATOM 370 CG PRO A 39 -17.925 14.484 24.268 1.00 19.73 C ATOM 371 CD PRO A 39 -17.649 14.336 22.769 1.00 15.95 C ATOM 372 N GLY A 40 -14.553 12.665 25.675 1.00 17.23 N ATOM 373 CA GLY A 40 -14.488 11.527 26.599 1.00 19.23 C ATOM 374 C GLY A 40 -13.621 10.394 26.051 1.00 18.06 C ATOM 375 O GLY A 40 -12.828 10.548 25.123 1.00 19.44 O ATOM 376 H GLY A 40 -13.885 13.454 25.790 1.00 0.00 H ATOM 377 N ARG A 41 -13.679 9.282 26.798 1.00 24.29 N ATOM 378 CA ARG A 41 -12.907 8.068 26.525 1.00 34.50 C ATOM 379 C ARG A 41 -13.346 7.388 25.211 1.00 19.16 C ATOM 380 O ARG A 41 -14.465 7.502 24.722 1.00 19.01 O ATOM 381 CB ARG A 41 -12.734 7.195 27.783 1.00 81.49 C ATOM 382 CG ARG A 41 -12.032 7.953 28.917 1.00 93.55 C ATOM 383 CD ARG A 41 -10.539 8.237 28.676 1.00104.98 C ATOM 384 NE ARG A 41 -9.890 8.363 27.355 1.00115.57 N ATOM 385 CZ ARG A 41 -9.735 7.406 26.404 1.00179.78 C ATOM 386 NH1 ARG A 41 -9.052 7.839 25.341 1.00110.87 N ATOM 387 NH2 ARG A 41 -10.213 6.155 26.454 1.00121.16 N ATOM 388 HE ARG A 41 -9.504 9.301 27.125 1.00 0.00 H ATOM 389 HH12 ARG A 41 -8.868 7.197 24.544 1.00 0.00 H ATOM 390 HH11 ARG A 41 -8.704 8.819 25.310 1.00 0.00 H ATOM 391 HH22 ARG A 41 -10.036 5.499 25.667 1.00 0.00 H ATOM 392 HH21 ARG A 41 -10.761 5.840 27.280 1.00 0.00 H ATOM 393 H ARG A 41 -14.312 9.282 27.623 1.00 0.00 H ATOM 394 N TRP A 42 -12.377 6.730 24.625 1.00 20.46 N ATOM 395 CA TRP A 42 -12.615 5.994 23.393 1.00 18.14 C ATOM 396 C TRP A 42 -11.708 4.762 23.409 1.00 20.14 C ATOM 397 O TRP A 42 -10.774 4.656 24.239 1.00 23.02 O ATOM 398 CB TRP A 42 -12.325 6.860 22.198 1.00 19.76 C ATOM 399 CG TRP A 42 -11.006 7.543 22.177 1.00 22.57 C ATOM 400 CD1 TRP A 42 -10.733 8.774 22.742 1.00 26.83 C ATOM 401 CD2 TRP A 42 -9.773 7.048 21.651 1.00 28.05 C ATOM 402 NE1 TRP A 42 -9.440 9.107 22.517 1.00 29.39 N ATOM 403 CE2 TRP A 42 -8.803 8.052 21.906 1.00 31.46 C ATOM 404 CE3 TRP A 42 -9.379 5.874 21.015 1.00 27.79 C ATOM 405 CZ2 TRP A 42 -7.463 7.916 21.535 1.00 39.01 C ATOM 406 CZ3 TRP A 42 -8.053 5.730 20.660 1.00 33.68 C ATOM 407 CH2 TRP A 42 -7.106 6.735 20.920 1.00 39.67 C ATOM 408 HE1 TRP A 42 -8.999 10.015 22.766 1.00 0.00 H ATOM 409 H TRP A 42 -11.426 6.734 25.046 1.00 0.00 H ATOM 410 N LYS A 43 -11.965 3.815 22.520 1.00 18.34 N ATOM 411 CA LYS A 43 -11.102 2.641 22.369 1.00 21.85 C ATOM 412 C LYS A 43 -10.604 2.523 20.926 1.00 20.23 C ATOM 413 O LYS A 43 -11.373 2.788 19.985 1.00 16.55 O ATOM 414 CB LYS A 43 -11.826 1.384 22.877 1.00 26.29 C ATOM 415 CG LYS A 43 -12.132 1.408 24.378 1.00 26.77 C ATOM 416 CD LYS A 43 -12.401 0.011 24.934 1.00 25.50 C ATOM 417 CE LYS A 43 -12.587 -0.083 26.438 1.00 28.15 C ATOM 418 NZ LYS A 43 -12.591 -1.497 26.909 1.00 30.44 N ATOM 419 HZ1 LYS A 43 -13.370 -2.012 26.451 1.00 0.00 H ATOM 420 HZ2 LYS A 43 -11.686 -1.946 26.663 1.00 0.00 H ATOM 421 HZ3 LYS A 43 -12.720 -1.517 27.941 1.00 0.00 H ATOM 422 H LYS A 43 -12.803 3.907 21.912 1.00 0.00 H ATOM 423 N PRO A 44 -9.320 2.139 20.713 1.00 32.39 N ATOM 424 CA PRO A 44 -8.770 1.954 19.356 1.00 45.17 C ATOM 425 C PRO A 44 -9.513 0.805 18.676 1.00 30.13 C ATOM 426 O PRO A 44 -9.818 -0.212 19.325 1.00 29.16 O ATOM 427 CB PRO A 44 -7.292 1.533 19.551 1.00114.88 C ATOM 428 CG PRO A 44 -7.147 0.971 21.033 1.00 56.24 C ATOM 429 CD PRO A 44 -8.338 1.806 21.837 1.00 70.50 C ATOM 430 N LYS A 45 -9.839 0.988 17.403 1.00 36.26 N ATOM 431 CA LYS A 45 -10.174 -0.171 16.616 1.00 36.34 C ATOM 432 C LYS A 45 -9.339 0.001 15.345 1.00 31.11 C ATOM 433 O LYS A 45 -8.889 1.117 15.047 1.00 25.93 O ATOM 434 CB LYS A 45 -11.701 -0.296 16.437 1.00 24.07 C ATOM 435 CG LYS A 45 -12.531 -0.722 17.664 1.00 31.98 C ATOM 436 CD LYS A 45 -12.468 -2.212 17.983 1.00 37.36 C ATOM 437 CE LYS A 45 -13.721 -2.793 18.613 1.00 35.91 C ATOM 438 NZ LYS A 45 -14.969 -2.251 18.021 1.00 41.20 N ATOM 439 HZ1 LYS A 45 -14.995 -1.220 18.154 1.00 0.00 H ATOM 440 HZ2 LYS A 45 -14.993 -2.471 17.005 1.00 0.00 H ATOM 441 HZ3 LYS A 45 -15.790 -2.684 18.490 1.00 0.00 H ATOM 442 H LYS A 45 -9.852 1.940 16.986 1.00 0.00 H ATOM 443 N MET A 46 -9.032 -1.108 14.672 1.00 27.78 N ATOM 444 CA MET A 46 -8.742 -1.039 13.242 1.00 23.37 C ATOM 445 C MET A 46 -9.879 -1.743 12.490 1.00 17.73 C ATOM 446 O MET A 46 -10.278 -2.824 12.918 1.00 23.55 O ATOM 447 CB MET A 46 -7.385 -1.703 12.942 1.00 31.59 C ATOM 448 CG MET A 46 -6.171 -0.926 13.475 1.00 41.44 C ATOM 449 SD MET A 46 -4.557 -1.817 13.286 1.00 51.14 S ATOM 450 CE MET A 46 -3.789 -1.512 14.878 1.00 58.26 C ATOM 451 H MET A 46 -8.999 -2.023 15.165 1.00 0.00 H ATOM 452 N VAL A 47 -10.380 -1.166 11.364 1.00 18.56 N ATOM 453 CA VAL A 47 -11.530 -1.710 10.613 1.00 17.14 C ATOM 454 C VAL A 47 -11.310 -1.910 9.077 1.00 16.64 C ATOM 455 O VAL A 47 -10.509 -1.145 8.537 1.00 21.18 O ATOM 456 CB VAL A 47 -12.815 -0.921 10.949 1.00 18.31 C ATOM 457 CG1 VAL A 47 -13.207 -0.914 12.438 1.00 20.94 C ATOM 458 CG2 VAL A 47 -12.816 0.478 10.339 1.00 20.37 C ATOM 459 H VAL A 47 -9.930 -0.296 11.014 1.00 0.00 H ATOM 460 N GLY A 48 -11.982 -2.880 8.333 1.00 18.62 N ATOM 461 CA GLY A 48 -11.571 -3.262 6.983 1.00 19.18 C ATOM 462 C GLY A 48 -12.631 -2.933 5.963 1.00 19.11 C ATOM 463 O GLY A 48 -13.822 -3.127 6.159 1.00 22.55 O ATOM 464 H GLY A 48 -12.808 -3.350 8.755 1.00 0.00 H ATOM 465 N GLY A 49 -12.102 -2.568 4.805 1.00 20.35 N ATOM 466 CA GLY A 49 -12.962 -2.242 3.712 1.00 23.09 C ATOM 467 C GLY A 49 -12.362 -2.845 2.469 1.00 19.67 C ATOM 468 O GLY A 49 -11.469 -3.698 2.552 1.00 24.98 O ATOM 469 H GLY A 49 -11.069 -2.519 4.692 1.00 0.00 H ATOM 470 N ILE A 50 -12.845 -2.318 1.337 1.00 19.37 N ATOM 471 CA ILE A 50 -12.229 -2.541 0.055 1.00 18.67 C ATOM 472 C ILE A 50 -10.946 -1.722 0.032 1.00 23.46 C ATOM 473 O ILE A 50 -10.914 -0.545 0.454 1.00 21.44 O ATOM 474 CB ILE A 50 -13.164 -2.154 -1.085 1.00 16.92 C ATOM 475 CG1 ILE A 50 -13.767 -3.383 -1.784 1.00 16.00 C ATOM 476 CG2 ILE A 50 -12.319 -1.504 -2.143 1.00 20.56 C ATOM 477 CD1 ILE A 50 -14.448 -2.932 -3.038 1.00 19.09 C ATOM 478 H ILE A 50 -13.698 -1.725 1.386 1.00 0.00 H ATOM 479 N GLY A 51 -9.890 -2.447 -0.380 1.00 21.32 N ATOM 480 CA GLY A 51 -8.517 -1.963 -0.437 1.00 26.49 C ATOM 481 C GLY A 51 -7.693 -1.939 0.862 1.00 23.83 C ATOM 482 O GLY A 51 -6.504 -1.632 0.819 1.00 25.58 O ATOM 483 H GLY A 51 -10.067 -3.427 -0.680 1.00 0.00 H ATOM 484 N GLY A 52 -8.265 -2.206 2.031 1.00 21.22 N ATOM 485 CA GLY A 52 -7.407 -2.267 3.196 1.00 29.56 C ATOM 486 C GLY A 52 -8.151 -1.929 4.451 1.00 23.36 C ATOM 487 O GLY A 52 -9.340 -2.066 4.477 1.00 28.43 O ATOM 488 H GLY A 52 -9.290 -2.365 2.107 1.00 0.00 H ATOM 489 N PHE A 53 -7.451 -1.311 5.387 1.00 25.13 N ATOM 490 CA PHE A 53 -8.070 -1.047 6.665 1.00 23.85 C ATOM 491 C PHE A 53 -7.958 0.434 6.983 1.00 22.11 C ATOM 492 O PHE A 53 -7.156 1.161 6.397 1.00 27.30 O ATOM 493 CB PHE A 53 -7.237 -1.773 7.710 1.00 27.68 C ATOM 494 CG PHE A 53 -5.833 -1.231 7.825 1.00 32.35 C ATOM 495 CD1 PHE A 53 -5.554 -0.138 8.640 1.00 44.99 C ATOM 496 CD2 PHE A 53 -4.776 -1.846 7.177 1.00 38.29 C ATOM 497 CE1 PHE A 53 -4.258 0.348 8.777 1.00 49.05 C ATOM 498 CE2 PHE A 53 -3.483 -1.363 7.313 1.00 44.25 C ATOM 499 CZ PHE A 53 -3.224 -0.264 8.102 1.00 55.56 C ATOM 500 H PHE A 53 -6.469 -1.019 5.206 1.00 0.00 H ATOM 501 N LEU A 54 -8.786 0.869 7.921 1.00 21.17 N ATOM 502 CA LEU A 54 -8.849 2.239 8.434 1.00 20.93 C ATOM 503 C LEU A 54 -8.663 2.183 9.959 1.00 19.89 C ATOM 504 O LEU A 54 -9.367 1.415 10.645 1.00 21.98 O ATOM 505 CB LEU A 54 -10.219 2.834 8.099 1.00 20.69 C ATOM 506 CG LEU A 54 -10.493 4.261 8.609 1.00 18.30 C ATOM 507 CD1 LEU A 54 -9.678 5.234 7.771 1.00 23.08 C ATOM 508 CD2 LEU A 54 -11.981 4.597 8.449 1.00 20.52 C ATOM 509 H LEU A 54 -9.448 0.178 8.328 1.00 0.00 H ATOM 510 N LYS A 55 -7.758 3.002 10.487 1.00 21.11 N ATOM 511 CA LYS A 55 -7.595 3.151 11.941 1.00 22.97 C ATOM 512 C LYS A 55 -8.638 4.156 12.456 1.00 19.32 C ATOM 513 O LYS A 55 -8.793 5.259 11.910 1.00 20.05 O ATOM 514 CB LYS A 55 -6.230 3.799 12.255 1.00 25.34 C ATOM 515 CG LYS A 55 -5.842 3.925 13.731 1.00 38.00 C ATOM 516 CD LYS A 55 -4.363 4.272 13.973 1.00 42.88 C ATOM 517 CE LYS A 55 -3.968 5.710 13.670 1.00 51.51 C ATOM 518 NZ LYS A 55 -4.307 6.671 14.752 1.00 55.74 N ATOM 519 HZ1 LYS A 55 -5.334 6.662 14.913 1.00 0.00 H ATOM 520 HZ2 LYS A 55 -3.816 6.395 15.626 1.00 0.00 H ATOM 521 HZ3 LYS A 55 -4.007 7.627 14.472 1.00 0.00 H ATOM 522 H LYS A 55 -7.147 3.554 9.852 1.00 0.00 H ATOM 523 N VAL A 56 -9.398 3.789 13.501 1.00 18.10 N ATOM 524 CA VAL A 56 -10.435 4.672 14.046 1.00 16.37 C ATOM 525 C VAL A 56 -10.416 4.682 15.577 1.00 16.85 C ATOM 526 O VAL A 56 -9.813 3.829 16.247 1.00 18.50 O ATOM 527 CB VAL A 56 -11.845 4.193 13.590 1.00 16.11 C ATOM 528 CG1 VAL A 56 -12.005 4.228 12.074 1.00 17.37 C ATOM 529 CG2 VAL A 56 -12.175 2.805 14.147 1.00 17.20 C ATOM 530 H VAL A 56 -9.248 2.856 13.934 1.00 0.00 H ATOM 531 N ARG A 57 -11.100 5.672 16.125 1.00 15.49 N ATOM 532 CA ARG A 57 -11.431 5.731 17.536 1.00 14.50 C ATOM 533 C ARG A 57 -12.887 5.373 17.703 1.00 13.78 C ATOM 534 O ARG A 57 -13.729 5.917 16.982 1.00 15.25 O ATOM 535 CB ARG A 57 -11.298 7.160 18.069 1.00 16.09 C ATOM 536 CG ARG A 57 -9.888 7.709 18.050 1.00 20.92 C ATOM 537 CD ARG A 57 -9.991 9.099 18.713 1.00 24.84 C ATOM 538 NE ARG A 57 -8.659 9.666 18.803 1.00 27.23 N ATOM 539 CZ ARG A 57 -8.415 10.803 19.424 1.00 30.47 C ATOM 540 NH1 ARG A 57 -9.417 11.419 20.034 1.00 28.87 N ATOM 541 NH2 ARG A 57 -7.175 11.253 19.480 1.00 41.63 N ATOM 542 HE ARG A 57 -7.867 9.157 18.361 1.00 0.00 H ATOM 543 HH12 ARG A 57 -9.250 12.317 20.531 1.00 0.00 H ATOM 544 HH11 ARG A 57 -10.371 11.004 20.016 1.00 0.00 H ATOM 545 HH22 ARG A 57 -6.968 12.149 19.967 1.00 0.00 H ATOM 546 HH21 ARG A 57 -6.405 10.712 19.037 1.00 0.00 H ATOM 547 H ARG A 57 -11.418 6.450 15.512 1.00 0.00 H ATOM 548 N GLU A 58 -13.232 4.477 18.622 1.00 14.12 N ATOM 549 CA GLU A 58 -14.612 4.079 18.859 1.00 13.41 C ATOM 550 C GLU A 58 -15.142 4.807 20.089 1.00 14.48 C ATOM 551 O GLU A 58 -14.607 4.636 21.207 1.00 15.90 O ATOM 552 CB GLU A 58 -14.715 2.562 19.108 1.00 17.11 C ATOM 553 CG GLU A 58 -16.150 2.148 19.326 1.00 19.53 C ATOM 554 CD GLU A 58 -16.540 0.715 19.517 1.00 32.29 C ATOM 555 OE1 GLU A 58 -16.788 0.377 20.649 1.00 39.38 O ATOM 556 OE2 GLU A 58 -16.617 -0.036 18.518 1.00 49.13 O ATOM 557 H GLU A 58 -12.483 4.041 19.197 1.00 0.00 H ATOM 558 N TYR A 59 -16.195 5.596 19.880 1.00 13.78 N ATOM 559 CA TYR A 59 -16.932 6.282 20.972 1.00 13.83 C ATOM 560 C TYR A 59 -18.292 5.632 21.167 1.00 14.25 C ATOM 561 O TYR A 59 -19.019 5.388 20.207 1.00 15.61 O ATOM 562 CB TYR A 59 -17.137 7.734 20.560 1.00 15.29 C ATOM 563 CG TYR A 59 -15.867 8.559 20.588 1.00 13.10 C ATOM 564 CD1 TYR A 59 -15.011 8.651 19.465 1.00 14.94 C ATOM 565 CD2 TYR A 59 -15.465 9.209 21.755 1.00 15.31 C ATOM 566 CE1 TYR A 59 -13.846 9.412 19.516 1.00 15.95 C ATOM 567 CE2 TYR A 59 -14.307 9.951 21.809 1.00 15.15 C ATOM 568 CZ TYR A 59 -13.523 10.095 20.687 1.00 15.82 C ATOM 569 OH TYR A 59 -12.414 10.892 20.733 1.00 18.54 O ATOM 570 HH TYR A 59 -12.683 11.817 20.961 1.00 0.00 H ATOM 571 H TYR A 59 -16.518 5.739 18.902 1.00 0.00 H ATOM 572 N ASP A 60 -18.699 5.388 22.416 1.00 17.68 N ATOM 573 CA ASP A 60 -19.992 4.805 22.735 1.00 21.62 C ATOM 574 C ASP A 60 -20.981 5.916 23.164 1.00 18.24 C ATOM 575 O ASP A 60 -20.600 6.964 23.732 1.00 23.13 O ATOM 576 CB ASP A 60 -19.830 3.810 23.897 1.00 28.57 C ATOM 577 CG ASP A 60 -18.933 2.619 23.618 1.00 36.97 C ATOM 578 OD1 ASP A 60 -18.744 2.253 22.401 1.00 33.07 O ATOM 579 OD2 ASP A 60 -18.405 2.067 24.645 1.00 33.37 O ATOM 580 H ASP A 60 -18.058 5.627 23.200 1.00 0.00 H ATOM 581 N GLN A 61 -22.281 5.642 22.986 1.00 25.10 N ATOM 582 CA GLN A 61 -23.305 6.516 23.561 1.00 30.28 C ATOM 583 C GLN A 61 -23.191 7.958 23.040 1.00 25.61 C ATOM 584 O GLN A 61 -23.310 8.940 23.770 1.00 30.77 O ATOM 585 CB GLN A 61 -23.221 6.480 25.107 1.00 60.02 C ATOM 586 CG GLN A 61 -24.078 5.402 25.733 1.00 65.34 C ATOM 587 CD GLN A 61 -24.337 5.747 27.177 1.00 97.26 C ATOM 588 OE1 GLN A 61 -24.754 6.858 27.518 1.00178.91 O ATOM 589 NE2 GLN A 61 -24.080 4.785 28.044 1.00100.04 N ATOM 590 HE22 GLN A 61 -23.730 3.864 27.710 1.00 0.00 H ATOM 591 HE21 GLN A 61 -24.228 4.948 29.060 1.00 0.00 H ATOM 592 H GLN A 61 -22.563 4.805 22.437 1.00 0.00 H ATOM 593 N VAL A 62 -22.979 8.115 21.724 1.00 17.15 N ATOM 594 CA VAL A 62 -22.879 9.384 20.997 1.00 17.08 C ATOM 595 C VAL A 62 -24.265 9.739 20.478 1.00 15.90 C ATOM 596 O VAL A 62 -24.912 8.903 19.810 1.00 16.90 O ATOM 597 CB VAL A 62 -21.941 9.230 19.782 1.00 14.25 C ATOM 598 CG1 VAL A 62 -21.771 10.562 19.030 1.00 17.38 C ATOM 599 CG2 VAL A 62 -20.567 8.682 20.225 1.00 15.57 C ATOM 600 H VAL A 62 -22.875 7.246 21.162 1.00 0.00 H ATOM 601 N PRO A 63 -24.660 11.046 20.552 1.00 14.49 N ATOM 602 CA PRO A 63 -25.939 11.473 19.987 1.00 15.63 C ATOM 603 C PRO A 63 -25.871 11.610 18.480 1.00 13.86 C ATOM 604 O PRO A 63 -24.970 12.277 17.954 1.00 14.59 O ATOM 605 CB PRO A 63 -26.286 12.824 20.639 1.00 16.21 C ATOM 606 CG PRO A 63 -24.917 13.383 20.966 1.00 17.82 C ATOM 607 CD PRO A 63 -24.060 12.173 21.357 1.00 16.02 C ATOM 608 N ILE A 64 -26.876 11.029 17.823 1.00 15.21 N ATOM 609 CA ILE A 64 -26.997 11.129 16.377 1.00 15.99 C ATOM 610 C ILE A 64 -28.438 11.558 16.142 1.00 15.23 C ATOM 611 O ILE A 64 -29.369 10.881 16.609 1.00 16.95 O ATOM 612 CB ILE A 64 -26.681 9.775 15.680 1.00 17.52 C ATOM 613 CG1 ILE A 64 -25.412 9.140 16.243 1.00 16.91 C ATOM 614 CG2 ILE A 64 -26.601 10.061 14.179 1.00 23.71 C ATOM 615 CD1 ILE A 64 -25.209 7.694 15.853 1.00 17.69 C ATOM 616 H ILE A 64 -27.589 10.492 18.357 1.00 0.00 H ATOM 617 N GLU A 65 -28.594 12.671 15.430 1.00 15.21 N ATOM 618 CA GLU A 65 -29.933 13.055 14.964 1.00 16.35 C ATOM 619 C GLU A 65 -29.999 12.740 13.480 1.00 14.77 C ATOM 620 O GLU A 65 -29.155 13.241 12.677 1.00 16.30 O ATOM 621 CB GLU A 65 -30.170 14.543 15.167 1.00 17.15 C ATOM 622 CG GLU A 65 -30.062 14.880 16.638 1.00 20.27 C ATOM 623 CD GLU A 65 -30.372 16.323 16.925 1.00 23.84 C ATOM 624 OE1 GLU A 65 -30.739 17.073 15.986 1.00 30.52 O ATOM 625 OE2 GLU A 65 -30.213 16.729 18.092 1.00 34.07 O ATOM 626 H GLU A 65 -27.772 13.266 15.204 1.00 0.00 H ATOM 627 N ILE A 66 -30.962 11.926 13.124 1.00 15.71 N ATOM 628 CA ILE A 66 -31.022 11.383 11.776 1.00 17.19 C ATOM 629 C ILE A 66 -32.505 11.123 11.445 1.00 18.18 C ATOM 630 O ILE A 66 -33.216 10.483 12.201 1.00 17.31 O ATOM 631 CB ILE A 66 -30.167 10.085 11.657 1.00 16.69 C ATOM 632 CG1 ILE A 66 -30.357 9.476 10.273 1.00 16.69 C ATOM 633 CG2 ILE A 66 -30.437 9.052 12.794 1.00 18.20 C ATOM 634 CD1 ILE A 66 -29.308 8.449 9.915 1.00 18.93 C ATOM 635 H ILE A 66 -31.694 11.664 13.815 1.00 0.00 H ATOM 636 N ALA A 67 -32.969 11.667 10.344 1.00 20.04 N ATOM 637 CA ALA A 67 -34.259 11.331 9.739 1.00 23.42 C ATOM 638 C ALA A 67 -35.381 11.577 10.766 1.00 24.16 C ATOM 639 O ALA A 67 -36.394 10.851 10.852 1.00 25.35 O ATOM 640 CB ALA A 67 -34.261 9.901 9.196 1.00 28.79 C ATOM 641 H ALA A 67 -32.382 12.383 9.871 1.00 0.00 H ATOM 642 N GLY A 68 -35.220 12.637 11.568 1.00 23.61 N ATOM 643 CA GLY A 68 -36.285 13.059 12.465 1.00 23.33 C ATOM 644 C GLY A 68 -36.225 12.309 13.796 1.00 24.97 C ATOM 645 O GLY A 68 -37.069 12.547 14.664 1.00 28.66 O ATOM 646 H GLY A 68 -34.324 13.164 11.550 1.00 0.00 H ATOM 647 N HIS A 69 -35.228 11.409 13.953 1.00 20.81 N ATOM 648 CA HIS A 69 -35.044 10.629 15.159 1.00 22.74 C ATOM 649 C HIS A 69 -33.814 11.125 15.886 1.00 19.19 C ATOM 650 O HIS A 69 -32.889 11.630 15.287 1.00 23.71 O ATOM 651 CB HIS A 69 -34.894 9.138 14.867 1.00 26.59 C ATOM 652 CG HIS A 69 -36.135 8.532 14.354 1.00 26.44 C ATOM 653 ND1 HIS A 69 -36.350 8.391 13.012 1.00 26.81 N ATOM 654 CD2 HIS A 69 -37.218 8.032 14.982 1.00 41.35 C ATOM 655 CE1 HIS A 69 -37.521 7.819 12.795 1.00 35.78 C ATOM 656 NE2 HIS A 69 -38.079 7.593 14.004 1.00 51.49 N ATOM 657 H HIS A 69 -34.560 11.270 13.168 1.00 0.00 H ATOM 658 N LYS A 70 -33.816 10.899 17.171 1.00 23.74 N ATOM 659 CA LYS A 70 -32.610 11.079 17.909 1.00 25.75 C ATOM 660 C LYS A 70 -32.332 9.715 18.490 1.00 27.19 C ATOM 661 O LYS A 70 -33.148 9.093 19.196 1.00 30.04 O ATOM 662 CB LYS A 70 -32.844 11.985 19.118 1.00 40.13 C ATOM 663 CG LYS A 70 -33.142 13.463 18.889 1.00 53.97 C ATOM 664 CD LYS A 70 -33.364 14.213 20.212 1.00 88.10 C ATOM 665 CE LYS A 70 -32.251 14.060 21.243 1.00 93.23 C ATOM 666 NZ LYS A 70 -32.563 14.818 22.560 1.00 73.37 N ATOM 667 HZ1 LYS A 70 -32.678 15.831 22.356 1.00 0.00 H ATOM 668 HZ2 LYS A 70 -33.441 14.444 22.974 1.00 0.00 H ATOM 669 HZ3 LYS A 70 -31.778 14.685 23.230 1.00 0.00 H ATOM 670 H LYS A 70 -34.686 10.592 17.650 1.00 0.00 H ATOM 671 N VAL A 71 -31.145 9.264 18.207 1.00 19.97 N ATOM 672 CA VAL A 71 -30.678 7.983 18.701 1.00 26.28 C ATOM 673 C VAL A 71 -29.346 8.221 19.412 1.00 18.96 C ATOM 674 O VAL A 71 -28.757 9.312 19.303 1.00 22.38 O ATOM 675 CB VAL A 71 -30.578 6.959 17.556 1.00 28.24 C ATOM 676 CG1 VAL A 71 -31.866 6.790 16.759 1.00 31.39 C ATOM 677 CG2 VAL A 71 -29.414 7.269 16.655 1.00 24.00 C ATOM 678 H VAL A 71 -30.514 9.837 17.611 1.00 0.00 H ATOM 679 N ILE A 72 -28.978 7.270 20.276 1.00 21.30 N ATOM 680 CA ILE A 72 -27.655 7.255 20.873 1.00 20.02 C ATOM 681 C ILE A 72 -27.009 5.992 20.342 1.00 22.97 C ATOM 682 O ILE A 72 -27.654 4.938 20.343 1.00 23.02 O ATOM 683 CB ILE A 72 -27.758 7.179 22.416 1.00 27.78 C ATOM 684 CG1 ILE A 72 -28.562 8.355 22.974 1.00 31.72 C ATOM 685 CG2 ILE A 72 -26.394 7.034 23.098 1.00 35.36 C ATOM 686 CD1 ILE A 72 -28.070 9.661 22.582 1.00 31.97 C ATOM 687 H ILE A 72 -29.656 6.522 20.527 1.00 0.00 H ATOM 688 N GLY A 73 -25.776 6.073 19.905 1.00 20.12 N ATOM 689 CA GLY A 73 -25.151 4.899 19.347 1.00 22.79 C ATOM 690 C GLY A 73 -23.640 5.001 19.415 1.00 16.84 C ATOM 691 O GLY A 73 -23.065 6.005 19.781 1.00 17.49 O ATOM 692 H GLY A 73 -25.255 6.972 19.960 1.00 0.00 H ATOM 693 N THR A 74 -22.991 3.959 18.941 1.00 16.51 N ATOM 694 CA THR A 74 -21.559 3.907 18.742 1.00 14.78 C ATOM 695 C THR A 74 -21.197 4.600 17.450 1.00 14.17 C ATOM 696 O THR A 74 -21.833 4.412 16.426 1.00 14.95 O ATOM 697 CB THR A 74 -21.042 2.457 18.703 1.00 18.97 C ATOM 698 OG1 THR A 74 -21.338 1.863 19.963 1.00 27.00 O ATOM 699 CG2 THR A 74 -19.548 2.368 18.504 1.00 19.74 C ATOM 700 HG1 THR A 74 -21.016 0.927 19.969 1.00 0.00 H ATOM 701 H THR A 74 -23.546 3.115 18.692 1.00 0.00 H ATOM 702 N VAL A 75 -20.163 5.420 17.526 1.00 12.65 N ATOM 703 CA VAL A 75 -19.615 6.134 16.369 1.00 11.43 C ATOM 704 C VAL A 75 -18.148 5.857 16.287 1.00 11.05 C ATOM 705 O VAL A 75 -17.421 6.007 17.287 1.00 12.74 O ATOM 706 CB VAL A 75 -19.925 7.642 16.401 1.00 11.41 C ATOM 707 CG1 VAL A 75 -19.262 8.310 15.189 1.00 12.74 C ATOM 708 CG2 VAL A 75 -21.457 7.782 16.275 1.00 12.15 C ATOM 709 H VAL A 75 -19.716 5.566 18.453 1.00 0.00 H ATOM 710 N LEU A 76 -17.661 5.503 15.079 1.00 11.18 N ATOM 711 CA LEU A 76 -16.220 5.414 14.837 1.00 11.23 C ATOM 712 C LEU A 76 -15.759 6.685 14.159 1.00 11.52 C ATOM 713 O LEU A 76 -16.447 7.213 13.267 1.00 12.78 O ATOM 714 CB LEU A 76 -15.920 4.219 13.911 1.00 12.16 C ATOM 715 CG LEU A 76 -16.485 2.876 14.387 1.00 12.47 C ATOM 716 CD1 LEU A 76 -16.155 1.776 13.369 1.00 13.17 C ATOM 717 CD2 LEU A 76 -16.045 2.528 15.754 1.00 17.25 C ATOM 718 H LEU A 76 -18.322 5.289 14.305 1.00 0.00 H ATOM 719 N VAL A 77 -14.591 7.189 14.585 1.00 11.60 N ATOM 720 CA VAL A 77 -14.064 8.397 13.981 1.00 12.31 C ATOM 721 C VAL A 77 -12.692 8.100 13.395 1.00 13.11 C ATOM 722 O VAL A 77 -11.796 7.601 14.061 1.00 14.17 O ATOM 723 CB VAL A 77 -13.971 9.583 14.966 1.00 11.89 C ATOM 724 CG1 VAL A 77 -13.443 10.808 14.216 1.00 13.63 C ATOM 725 CG2 VAL A 77 -15.369 9.861 15.500 1.00 14.25 C ATOM 726 H VAL A 77 -14.065 6.714 15.346 1.00 0.00 H ATOM 727 N GLY A 78 -12.549 8.398 12.106 1.00 13.69 N ATOM 728 CA GLY A 78 -11.267 8.223 11.451 1.00 15.81 C ATOM 729 C GLY A 78 -11.395 8.677 9.997 1.00 15.55 C ATOM 730 O GLY A 78 -12.478 9.075 9.535 1.00 15.98 O ATOM 731 H GLY A 78 -13.361 8.758 11.565 1.00 0.00 H ATOM 732 N PRO A 79 -10.288 8.660 9.234 1.00 17.67 N ATOM 733 CA PRO A 79 -10.203 9.369 7.928 1.00 17.74 C ATOM 734 C PRO A 79 -10.841 8.651 6.745 1.00 18.16 C ATOM 735 O PRO A 79 -10.215 8.405 5.718 1.00 21.76 O ATOM 736 CB PRO A 79 -8.696 9.611 7.773 1.00 21.98 C ATOM 737 CG PRO A 79 -8.070 8.457 8.512 1.00 19.82 C ATOM 738 CD PRO A 79 -8.963 8.247 9.752 1.00 19.36 C ATOM 739 N THR A 80 -12.102 8.263 6.884 1.00 17.09 N ATOM 740 CA THR A 80 -12.848 7.641 5.800 1.00 15.88 C ATOM 741 C THR A 80 -13.045 8.688 4.701 1.00 17.09 C ATOM 742 O THR A 80 -13.301 9.844 5.024 1.00 18.44 O ATOM 743 CB THR A 80 -14.215 7.171 6.346 1.00 14.50 C ATOM 744 OG1 THR A 80 -14.922 6.649 5.219 1.00 16.03 O ATOM 745 CG2 THR A 80 -15.037 8.234 7.044 1.00 14.35 C ATOM 746 HG1 THR A 80 -15.813 6.330 5.509 1.00 0.00 H ATOM 747 H THR A 80 -12.574 8.408 7.799 1.00 0.00 H ATOM 748 N PRO A 81 -13.040 8.254 3.412 1.00 17.98 N ATOM 749 CA PRO A 81 -13.294 9.138 2.267 1.00 21.55 C ATOM 750 C PRO A 81 -14.707 9.707 2.269 1.00 15.42 C ATOM 751 O PRO A 81 -14.956 10.772 1.716 1.00 18.46 O ATOM 752 CB PRO A 81 -13.166 8.156 1.068 1.00 27.34 C ATOM 753 CG PRO A 81 -12.219 7.180 1.563 1.00 30.41 C ATOM 754 CD PRO A 81 -12.639 6.890 2.974 1.00 23.32 C ATOM 755 N VAL A 82 -15.653 8.927 2.870 1.00 15.17 N ATOM 756 CA VAL A 82 -17.067 9.272 2.857 1.00 14.59 C ATOM 757 C VAL A 82 -17.607 8.876 4.246 1.00 12.60 C ATOM 758 O VAL A 82 -17.314 7.779 4.722 1.00 13.04 O ATOM 759 CB VAL A 82 -17.803 8.425 1.765 1.00 18.50 C ATOM 760 CG1 VAL A 82 -19.273 8.753 1.756 1.00 27.16 C ATOM 761 CG2 VAL A 82 -17.263 8.797 0.380 1.00 24.70 C ATOM 762 H VAL A 82 -15.353 8.057 3.354 1.00 0.00 H ATOM 763 N ASN A 83 -18.408 9.748 4.848 1.00 12.24 N ATOM 764 CA ASN A 83 -19.022 9.379 6.120 1.00 11.28 C ATOM 765 C ASN A 83 -20.122 8.374 5.822 1.00 9.98 C ATOM 766 O ASN A 83 -20.840 8.525 4.826 1.00 11.30 O ATOM 767 CB ASN A 83 -19.627 10.605 6.790 1.00 12.96 C ATOM 768 CG ASN A 83 -18.581 11.678 7.066 1.00 12.67 C ATOM 769 OD1 ASN A 83 -17.429 11.346 7.446 1.00 13.90 O ATOM 770 ND2 ASN A 83 -18.973 12.931 6.888 1.00 14.54 N ATOM 771 HD22 ASN A 83 -19.943 13.132 6.571 1.00 0.00 H ATOM 772 HD21 ASN A 83 -18.311 13.713 7.065 1.00 0.00 H ATOM 773 H ASN A 83 -18.595 10.678 4.421 1.00 0.00 H ATOM 774 N VAL A 84 -20.278 7.371 6.697 1.00 10.14 N ATOM 775 CA VAL A 84 -21.285 6.337 6.481 1.00 11.20 C ATOM 776 C VAL A 84 -22.146 6.118 7.707 1.00 9.77 C ATOM 777 O VAL A 84 -21.647 6.069 8.848 1.00 10.69 O ATOM 778 CB VAL A 84 -20.690 5.000 5.974 1.00 14.10 C ATOM 779 CG1 VAL A 84 -19.972 5.175 4.648 1.00 15.59 C ATOM 780 CG2 VAL A 84 -19.778 4.366 6.996 1.00 16.04 C ATOM 781 H VAL A 84 -19.673 7.329 7.542 1.00 0.00 H ATOM 782 N ILE A 85 -23.444 5.977 7.473 1.00 10.83 N ATOM 783 CA ILE A 85 -24.394 5.523 8.475 1.00 10.92 C ATOM 784 C ILE A 85 -24.561 4.028 8.280 1.00 10.38 C ATOM 785 O ILE A 85 -25.046 3.585 7.221 1.00 12.46 O ATOM 786 CB ILE A 85 -25.755 6.232 8.333 1.00 11.09 C ATOM 787 CG1 ILE A 85 -25.641 7.753 8.310 1.00 13.46 C ATOM 788 CG2 ILE A 85 -26.721 5.721 9.403 1.00 13.44 C ATOM 789 CD1 ILE A 85 -24.917 8.305 9.560 1.00 15.08 C ATOM 790 H ILE A 85 -23.801 6.203 6.523 1.00 0.00 H ATOM 791 N GLY A 86 -24.150 3.243 9.264 1.00 10.61 N ATOM 792 CA GLY A 86 -24.214 1.796 9.152 1.00 11.46 C ATOM 793 C GLY A 86 -25.474 1.193 9.746 1.00 10.11 C ATOM 794 O GLY A 86 -26.381 1.896 10.231 1.00 11.13 O ATOM 795 H GLY A 86 -23.774 3.671 10.134 1.00 0.00 H ATOM 796 N ARG A 87 -25.514 -0.145 9.702 1.00 10.52 N ATOM 797 CA ARG A 87 -26.704 -0.845 10.185 1.00 10.34 C ATOM 798 C ARG A 87 -26.930 -0.652 11.681 1.00 10.75 C ATOM 799 O ARG A 87 -28.082 -0.722 12.116 1.00 12.58 O ATOM 800 CB ARG A 87 -26.585 -2.326 9.866 1.00 10.68 C ATOM 801 CG ARG A 87 -26.581 -2.604 8.347 1.00 10.63 C ATOM 802 CD ARG A 87 -26.664 -4.083 8.012 1.00 10.88 C ATOM 803 NE ARG A 87 -25.521 -4.814 8.552 1.00 12.70 N ATOM 804 CZ ARG A 87 -25.462 -5.495 9.697 1.00 12.85 C ATOM 805 NH1 ARG A 87 -26.550 -5.754 10.430 1.00 13.13 N ATOM 806 NH2 ARG A 87 -24.296 -6.001 10.056 1.00 14.76 N ATOM 807 HE ARG A 87 -24.654 -4.802 7.978 1.00 0.00 H ATOM 808 HH12 ARG A 87 -26.464 -6.288 11.318 1.00 0.00 H ATOM 809 HH11 ARG A 87 -27.483 -5.421 10.112 1.00 0.00 H ATOM 810 HH22 ARG A 87 -24.213 -6.538 10.943 1.00 0.00 H ATOM 811 HH21 ARG A 87 -23.461 -5.862 9.452 1.00 0.00 H ATOM 812 H ARG A 87 -24.706 -0.682 9.328 1.00 0.00 H ATOM 813 N ASP A 88 -25.874 -0.377 12.440 1.00 11.35 N ATOM 814 CA ASP A 88 -25.954 -0.143 13.876 1.00 12.71 C ATOM 815 C ASP A 88 -26.777 1.107 14.211 1.00 11.10 C ATOM 816 O ASP A 88 -27.353 1.215 15.306 1.00 13.16 O ATOM 817 CB ASP A 88 -24.556 -0.003 14.477 1.00 15.33 C ATOM 818 CG ASP A 88 -23.722 1.179 13.971 1.00 17.12 C ATOM 819 OD1 ASP A 88 -24.055 1.804 12.934 1.00 14.11 O ATOM 820 OD2 ASP A 88 -22.710 1.488 14.626 1.00 24.81 O ATOM 821 H ASP A 88 -24.940 -0.326 11.984 1.00 0.00 H ATOM 822 N THR A 89 -26.828 2.103 13.315 1.00 11.98 N ATOM 823 CA THR A 89 -27.701 3.248 13.446 1.00 11.86 C ATOM 824 C THR A 89 -29.035 3.045 12.706 1.00 11.46 C ATOM 825 O THR A 89 -30.114 3.379 13.218 1.00 12.71 O ATOM 826 CB THR A 89 -26.990 4.484 12.876 1.00 12.91 C ATOM 827 OG1 THR A 89 -25.767 4.697 13.571 1.00 13.91 O ATOM 828 CG2 THR A 89 -27.855 5.727 12.974 1.00 14.95 C ATOM 829 HG1 THR A 89 -25.185 3.904 13.463 1.00 0.00 H ATOM 830 H THR A 89 -26.207 2.049 12.482 1.00 0.00 H ATOM 831 N MET A 90 -28.958 2.437 11.512 1.00 10.91 N ATOM 832 CA MET A 90 -30.195 2.306 10.723 1.00 11.01 C ATOM 833 C MET A 90 -31.216 1.380 11.401 1.00 10.64 C ATOM 834 O MET A 90 -32.417 1.631 11.268 1.00 11.81 O ATOM 835 CB MET A 90 -29.898 1.807 9.318 1.00 12.04 C ATOM 836 CG MET A 90 -29.231 2.927 8.458 1.00 14.60 C ATOM 837 SD MET A 90 -29.155 2.561 6.732 1.00 15.63 S ATOM 838 CE MET A 90 -27.880 1.388 6.783 1.00 14.85 C ATOM 839 H MET A 90 -28.053 2.070 11.155 1.00 0.00 H ATOM 840 N THR A 91 -30.768 0.346 12.098 1.00 11.51 N ATOM 841 CA THR A 91 -31.728 -0.514 12.837 1.00 12.52 C ATOM 842 C THR A 91 -32.465 0.289 13.890 1.00 13.01 C ATOM 843 O THR A 91 -33.598 -0.084 14.222 1.00 15.82 O ATOM 844 CB THR A 91 -31.049 -1.754 13.436 1.00 12.37 C ATOM 845 OG1 THR A 91 -29.966 -1.376 14.272 1.00 14.05 O ATOM 846 CG2 THR A 91 -30.631 -2.755 12.381 1.00 13.78 C ATOM 847 HG1 THR A 91 -29.301 -0.871 13.740 1.00 0.00 H ATOM 848 H THR A 91 -29.750 0.137 12.128 1.00 0.00 H ATOM 849 N GLN A 92 -31.849 1.310 14.480 1.00 13.26 N ATOM 850 CA GLN A 92 -32.472 2.091 15.543 1.00 15.73 C ATOM 851 C GLN A 92 -33.580 2.961 14.977 1.00 16.30 C ATOM 852 O GLN A 92 -34.378 3.446 15.777 1.00 20.44 O ATOM 853 CB GLN A 92 -31.431 2.920 16.323 1.00 15.88 C ATOM 854 CG GLN A 92 -30.381 2.057 16.950 1.00 17.51 C ATOM 855 CD GLN A 92 -29.608 2.851 17.938 1.00 23.38 C ATOM 856 OE1 GLN A 92 -28.400 3.081 17.798 1.00 29.67 O ATOM 857 NE2 GLN A 92 -30.340 3.239 18.969 1.00 28.46 N ATOM 858 HE22 GLN A 92 -31.352 3.002 19.007 1.00 0.00 H ATOM 859 HE21 GLN A 92 -29.904 3.781 19.742 1.00 0.00 H ATOM 860 H GLN A 92 -30.888 1.561 14.172 1.00 0.00 H ATOM 861 N ILE A 93 -33.619 3.216 13.665 1.00 16.05 N ATOM 862 CA ILE A 93 -34.679 4.032 13.085 1.00 17.69 C ATOM 863 C ILE A 93 -35.591 3.139 12.249 1.00 16.62 C ATOM 864 O ILE A 93 -36.458 3.644 11.523 1.00 21.18 O ATOM 865 CB ILE A 93 -34.133 5.262 12.316 1.00 18.55 C ATOM 866 CG1 ILE A 93 -33.314 4.831 11.097 1.00 17.08 C ATOM 867 CG2 ILE A 93 -33.347 6.163 13.276 1.00 20.78 C ATOM 868 CD1 ILE A 93 -32.854 6.021 10.294 1.00 19.47 C ATOM 869 H ILE A 93 -32.880 2.825 13.047 1.00 0.00 H ATOM 870 N GLY A 94 -35.453 1.805 12.357 1.00 15.86 N ATOM 871 CA GLY A 94 -36.403 0.893 11.716 1.00 17.15 C ATOM 872 C GLY A 94 -36.266 0.824 10.194 1.00 15.67 C ATOM 873 O GLY A 94 -37.217 0.534 9.492 1.00 18.37 O ATOM 874 H GLY A 94 -34.659 1.415 12.904 1.00 0.00 H ATOM 875 N ALA A 95 -35.069 1.104 9.671 1.00 14.30 N ATOM 876 CA ALA A 95 -34.914 1.184 8.213 1.00 13.84 C ATOM 877 C ALA A 95 -35.045 -0.187 7.543 1.00 14.01 C ATOM 878 O ALA A 95 -34.688 -1.216 8.122 1.00 16.30 O ATOM 879 CB ALA A 95 -33.513 1.696 7.895 1.00 14.64 C ATOM 880 H ALA A 95 -34.251 1.264 10.293 1.00 0.00 H ATOM 881 N THR A 96 -35.643 -0.215 6.334 1.00 13.29 N ATOM 882 CA THR A 96 -35.813 -1.431 5.571 1.00 14.03 C ATOM 883 C THR A 96 -35.373 -1.174 4.130 1.00 12.58 C ATOM 884 O THR A 96 -35.382 -0.065 3.631 1.00 14.48 O ATOM 885 CB THR A 96 -37.269 -1.958 5.597 1.00 14.58 C ATOM 886 OG1 THR A 96 -38.100 -0.925 5.057 1.00 16.76 O ATOM 887 CG2 THR A 96 -37.755 -2.349 6.973 1.00 17.69 C ATOM 888 HG1 THR A 96 -38.013 -0.110 5.612 1.00 0.00 H ATOM 889 H THR A 96 -35.997 0.677 5.933 1.00 0.00 H ATOM 890 N LEU A 97 -35.001 -2.277 3.498 1.00 12.95 N ATOM 891 CA LEU A 97 -34.694 -2.357 2.061 1.00 12.82 C ATOM 892 C LEU A 97 -35.826 -3.093 1.375 1.00 12.23 C ATOM 893 O LEU A 97 -36.175 -4.184 1.806 1.00 15.38 O ATOM 894 CB LEU A 97 -33.440 -3.230 1.827 1.00 14.61 C ATOM 895 CG LEU A 97 -32.128 -2.468 1.699 1.00 13.45 C ATOM 896 CD1 LEU A 97 -30.949 -3.384 1.570 1.00 16.26 C ATOM 897 CD2 LEU A 97 -32.116 -1.431 0.576 1.00 15.01 C ATOM 898 H LEU A 97 -34.920 -3.150 4.058 1.00 0.00 H ATOM 899 N ASN A 98 -36.321 -2.533 0.270 1.00 13.86 N ATOM 900 CA ASN A 98 -37.375 -3.145 -0.540 1.00 14.09 C ATOM 901 C ASN A 98 -36.756 -3.472 -1.903 1.00 16.79 C ATOM 902 O ASN A 98 -36.264 -2.564 -2.571 1.00 18.74 O ATOM 903 CB ASN A 98 -38.469 -2.096 -0.773 1.00 17.28 C ATOM 904 CG ASN A 98 -38.997 -1.513 0.527 1.00 23.42 C ATOM 905 OD1 ASN A 98 -39.737 -2.167 1.254 1.00 20.45 O ATOM 906 ND2 ASN A 98 -38.658 -0.266 0.796 1.00 26.48 N ATOM 907 HD22 ASN A 98 -38.027 0.252 0.151 1.00 0.00 H ATOM 908 HD21 ASN A 98 -39.022 0.198 1.653 1.00 0.00 H ATOM 909 H ASN A 98 -35.938 -1.614 -0.031 1.00 0.00 H ATOM 910 N PHE A 99 -36.742 -4.755 -2.345 1.00 18.88 N ATOM 911 CA PHE A 99 -36.094 -5.124 -3.620 1.00 19.34 C ATOM 912 C PHE A 99 -36.902 -6.219 -4.302 1.00 26.85 C ATOM 913 O PHE A 99 -36.404 -6.702 -5.354 1.00 28.94 O ATOM 914 CB PHE A 99 -34.614 -5.459 -3.404 1.00 22.80 C ATOM 915 CG PHE A 99 -34.345 -6.642 -2.535 1.00 20.07 C ATOM 916 CD1 PHE A 99 -34.410 -6.525 -1.145 1.00 20.89 C ATOM 917 CD2 PHE A 99 -34.008 -7.869 -3.080 1.00 22.99 C ATOM 918 CE1 PHE A 99 -34.209 -7.636 -0.346 1.00 26.01 C ATOM 919 CE2 PHE A 99 -33.819 -8.969 -2.261 1.00 22.95 C ATOM 920 CZ PHE A 99 -33.885 -8.844 -0.907 1.00 23.95 C ATOM 921 OXT PHE A 99 -38.010 -6.590 -3.804 1.00 28.66 O ATOM 922 H PHE A 99 -37.198 -5.495 -1.773 1.00 0.00 H TER 923 PHE A 99 ATOM 924 N PRO B 1 -38.669 -8.738 -2.120 1.00 29.95 N ATOM 925 CA PRO B 1 -38.806 -8.841 -0.651 1.00 25.93 C ATOM 926 C PRO B 1 -38.588 -7.507 0.050 1.00 21.23 C ATOM 927 O PRO B 1 -38.002 -6.633 -0.548 1.00 23.52 O ATOM 928 CB PRO B 1 -37.710 -9.852 -0.216 1.00 36.72 C ATOM 929 CG PRO B 1 -37.281 -10.553 -1.510 1.00 35.33 C ATOM 930 CD PRO B 1 -37.491 -9.497 -2.583 1.00 36.52 C ATOM 931 HN2 PRO B 1 -38.558 -7.738 -2.385 1.00 0.00 H ATOM 932 HN1 PRO B 1 -39.523 -9.122 -2.572 1.00 0.00 H ATOM 933 N GLN B 2 -39.052 -7.359 1.283 1.00 22.55 N ATOM 934 CA GLN B 2 -38.685 -6.301 2.219 1.00 19.34 C ATOM 935 C GLN B 2 -37.812 -6.963 3.289 1.00 16.79 C ATOM 936 O GLN B 2 -38.203 -8.021 3.821 1.00 18.15 O ATOM 937 CB GLN B 2 -39.940 -5.657 2.878 1.00 18.84 C ATOM 938 CG GLN B 2 -39.633 -4.427 3.784 1.00 21.42 C ATOM 939 CD GLN B 2 -40.752 -3.532 4.320 1.00 21.46 C ATOM 940 OE1 GLN B 2 -41.285 -3.702 5.451 1.00 22.45 O ATOM 941 NE2 GLN B 2 -41.147 -2.563 3.510 1.00 19.97 N ATOM 942 HE22 GLN B 2 -40.692 -2.443 2.582 1.00 0.00 H ATOM 943 HE21 GLN B 2 -41.912 -1.922 3.801 1.00 0.00 H ATOM 944 H GLN B 2 -39.742 -8.063 1.614 1.00 0.00 H ATOM 945 N ILE B 3 -36.667 -6.348 3.643 1.00 14.55 N ATOM 946 CA ILE B 3 -35.837 -6.851 4.744 1.00 13.63 C ATOM 947 C ILE B 3 -35.504 -5.730 5.713 1.00 13.19 C ATOM 948 O ILE B 3 -35.389 -4.555 5.324 1.00 14.58 O ATOM 949 CB ILE B 3 -34.532 -7.486 4.224 1.00 14.03 C ATOM 950 CG1 ILE B 3 -33.688 -6.493 3.425 1.00 15.39 C ATOM 951 CG2 ILE B 3 -34.866 -8.745 3.370 1.00 17.01 C ATOM 952 CD1 ILE B 3 -32.358 -7.092 2.957 1.00 18.19 C ATOM 953 H ILE B 3 -36.365 -5.498 3.125 1.00 0.00 H ATOM 954 N THR B 4 -35.386 -6.092 6.993 1.00 13.32 N ATOM 955 CA THR B 4 -34.773 -5.207 7.975 1.00 12.87 C ATOM 956 C THR B 4 -33.268 -5.383 7.894 1.00 13.25 C ATOM 957 O THR B 4 -32.754 -6.097 7.041 1.00 14.27 O ATOM 958 CB THR B 4 -35.299 -5.538 9.359 1.00 13.43 C ATOM 959 OG1 THR B 4 -35.003 -6.904 9.622 1.00 15.58 O ATOM 960 CG2 THR B 4 -36.798 -5.235 9.441 1.00 15.77 C ATOM 961 HG1 THR B 4 -34.023 -7.041 9.585 1.00 0.00 H ATOM 962 H THR B 4 -35.738 -7.023 7.295 1.00 0.00 H ATOM 963 N LEU B 5 -32.543 -4.653 8.747 1.00 13.42 N ATOM 964 CA LEU B 5 -31.095 -4.563 8.643 1.00 12.22 C ATOM 965 C LEU B 5 -30.417 -5.083 9.899 1.00 12.40 C ATOM 966 O LEU B 5 -29.237 -4.806 10.142 1.00 12.67 O ATOM 967 CB LEU B 5 -30.682 -3.128 8.337 1.00 12.21 C ATOM 968 CG LEU B 5 -31.128 -2.670 6.941 1.00 13.80 C ATOM 969 CD1 LEU B 5 -30.923 -1.175 6.799 1.00 16.03 C ATOM 970 CD2 LEU B 5 -30.329 -3.433 5.825 1.00 15.86 C ATOM 971 H LEU B 5 -33.028 -4.134 9.507 1.00 0.00 H ATOM 972 N TRP B 6 -31.124 -5.890 10.684 1.00 13.15 N ATOM 973 CA TRP B 6 -30.526 -6.549 11.844 1.00 14.78 C ATOM 974 C TRP B 6 -29.447 -7.541 11.428 1.00 15.53 C ATOM 975 O TRP B 6 -28.490 -7.723 12.161 1.00 18.22 O ATOM 976 CB TRP B 6 -31.592 -7.270 12.665 1.00 14.65 C ATOM 977 CG TRP B 6 -32.566 -6.315 13.235 1.00 14.84 C ATOM 978 CD1 TRP B 6 -33.794 -6.041 12.714 1.00 19.78 C ATOM 979 CD2 TRP B 6 -32.377 -5.455 14.366 1.00 14.59 C ATOM 980 NE1 TRP B 6 -34.389 -5.062 13.442 1.00 19.33 N ATOM 981 CE2 TRP B 6 -33.536 -4.664 14.450 1.00 16.04 C ATOM 982 CE3 TRP B 6 -31.332 -5.290 15.274 1.00 16.45 C ATOM 983 CZ2 TRP B 6 -33.726 -3.763 15.486 1.00 17.80 C ATOM 984 CZ3 TRP B 6 -31.526 -4.352 16.271 1.00 19.22 C ATOM 985 CH2 TRP B 6 -32.701 -3.605 16.377 1.00 17.88 C ATOM 986 HE1 TRP B 6 -35.338 -4.674 13.267 1.00 0.00 H ATOM 987 H TRP B 6 -32.127 -6.057 10.468 1.00 0.00 H ATOM 988 N LYS B 7 -29.627 -8.178 10.268 1.00 17.69 N ATOM 989 CA LYS B 7 -28.579 -9.042 9.729 1.00 21.68 C ATOM 990 C LYS B 7 -27.880 -8.325 8.547 1.00 18.40 C ATOM 991 O LYS B 7 -28.499 -7.525 7.902 1.00 16.01 O ATOM 992 CB LYS B 7 -29.242 -10.335 9.220 1.00 29.00 C ATOM 993 CG LYS B 7 -30.211 -10.962 10.211 1.00 34.20 C ATOM 994 CD LYS B 7 -31.047 -12.134 9.692 1.00 58.33 C ATOM 995 CE LYS B 7 -31.216 -13.067 10.874 1.00 52.02 C ATOM 996 NZ LYS B 7 -29.960 -12.839 11.679 1.00 58.93 N ATOM 997 HZ1 LYS B 7 -29.130 -13.078 11.099 1.00 0.00 H ATOM 998 HZ2 LYS B 7 -29.909 -11.840 11.965 1.00 0.00 H ATOM 999 HZ3 LYS B 7 -29.978 -13.443 12.526 1.00 0.00 H ATOM 1000 H LYS B 7 -30.518 -8.058 9.745 1.00 0.00 H ATOM 1001 N ARG B 8 -26.620 -8.714 8.168 1.00 18.02 N ATOM 1002 CA ARG B 8 -26.041 -8.217 6.911 1.00 16.57 C ATOM 1003 C ARG B 8 -26.933 -8.664 5.762 1.00 14.79 C ATOM 1004 O ARG B 8 -27.351 -9.832 5.694 1.00 16.85 O ATOM 1005 CB ARG B 8 -24.645 -8.776 6.613 1.00 18.62 C ATOM 1006 CG ARG B 8 -23.547 -8.262 7.541 1.00 20.80 C ATOM 1007 CD ARG B 8 -22.211 -8.903 7.178 1.00 22.26 C ATOM 1008 NE ARG B 8 -20.954 -8.179 7.286 1.00 29.66 N ATOM 1009 CZ ARG B 8 -20.083 -8.066 8.301 1.00 38.44 C ATOM 1010 NH1 ARG B 8 -20.312 -8.581 9.511 1.00 39.79 N ATOM 1011 NH2 ARG B 8 -18.976 -7.371 8.079 1.00 27.95 N ATOM 1012 HE ARG B 8 -20.683 -7.658 6.427 1.00 0.00 H ATOM 1013 HH12 ARG B 8 -19.606 -8.468 10.267 1.00 0.00 H ATOM 1014 HH11 ARG B 8 -21.196 -9.096 9.698 1.00 0.00 H ATOM 1015 HH22 ARG B 8 -18.273 -7.257 8.837 1.00 0.00 H ATOM 1016 HH21 ARG B 8 -18.811 -6.940 7.147 1.00 0.00 H ATOM 1017 H ARG B 8 -26.073 -9.362 8.771 1.00 0.00 H ATOM 1018 N PRO B 9 -27.258 -7.778 4.818 1.00 14.34 N ATOM 1019 CA PRO B 9 -28.250 -8.090 3.780 1.00 14.22 C ATOM 1020 C PRO B 9 -27.653 -8.834 2.592 1.00 14.72 C ATOM 1021 O PRO B 9 -27.595 -8.326 1.461 1.00 14.83 O ATOM 1022 CB PRO B 9 -28.752 -6.694 3.386 1.00 14.84 C ATOM 1023 CG PRO B 9 -27.557 -5.789 3.595 1.00 15.98 C ATOM 1024 CD PRO B 9 -26.957 -6.336 4.886 1.00 15.32 C ATOM 1025 N PHE B 10 -27.221 -10.069 2.824 1.00 14.63 N ATOM 1026 CA PHE B 10 -26.778 -10.936 1.746 1.00 14.87 C ATOM 1027 C PHE B 10 -27.951 -11.444 0.937 1.00 15.12 C ATOM 1028 O PHE B 10 -28.996 -11.825 1.453 1.00 17.03 O ATOM 1029 CB PHE B 10 -25.982 -12.110 2.329 1.00 17.11 C ATOM 1030 CG PHE B 10 -24.562 -11.725 2.662 1.00 18.84 C ATOM 1031 CD1 PHE B 10 -23.649 -11.526 1.639 1.00 18.53 C ATOM 1032 CD2 PHE B 10 -24.172 -11.525 3.986 1.00 21.98 C ATOM 1033 CE1 PHE B 10 -22.335 -11.194 1.935 1.00 19.62 C ATOM 1034 CE2 PHE B 10 -22.870 -11.148 4.290 1.00 25.51 C ATOM 1035 CZ PHE B 10 -21.957 -10.969 3.269 1.00 24.20 C ATOM 1036 H PHE B 10 -27.200 -10.424 3.801 1.00 0.00 H ATOM 1037 N VAL B 11 -27.702 -11.579 -0.357 1.00 14.46 N ATOM 1038 CA VAL B 11 -28.618 -12.246 -1.283 1.00 15.61 C ATOM 1039 C VAL B 11 -27.804 -13.216 -2.129 1.00 13.55 C ATOM 1040 O VAL B 11 -26.582 -13.065 -2.315 1.00 15.17 O ATOM 1041 CB VAL B 11 -29.344 -11.215 -2.190 1.00 18.40 C ATOM 1042 CG1 VAL B 11 -30.379 -10.396 -1.402 1.00 20.58 C ATOM 1043 CG2 VAL B 11 -28.389 -10.346 -3.023 1.00 19.28 C ATOM 1044 H VAL B 11 -26.813 -11.192 -0.733 1.00 0.00 H ATOM 1045 N THR B 12 -28.469 -14.237 -2.611 1.00 14.13 N ATOM 1046 CA THR B 12 -27.868 -15.216 -3.512 1.00 13.37 C ATOM 1047 C THR B 12 -28.109 -14.744 -4.938 1.00 14.58 C ATOM 1048 O THR B 12 -29.232 -14.398 -5.306 1.00 19.14 O ATOM 1049 CB THR B 12 -28.446 -16.618 -3.248 1.00 16.56 C ATOM 1050 OG1 THR B 12 -28.234 -16.943 -1.861 1.00 18.11 O ATOM 1051 CG2 THR B 12 -27.817 -17.666 -4.135 1.00 22.08 C ATOM 1052 HG1 THR B 12 -28.693 -16.274 -1.293 1.00 0.00 H ATOM 1053 H THR B 12 -29.466 -14.355 -2.341 1.00 0.00 H ATOM 1054 N VAL B 13 -27.045 -14.777 -5.737 1.00 13.57 N ATOM 1055 CA VAL B 13 -27.137 -14.338 -7.114 1.00 13.82 C ATOM 1056 C VAL B 13 -26.463 -15.362 -8.022 1.00 12.58 C ATOM 1057 O VAL B 13 -25.687 -16.223 -7.592 1.00 15.22 O ATOM 1058 CB VAL B 13 -26.551 -12.970 -7.370 1.00 17.89 C ATOM 1059 CG1 VAL B 13 -27.274 -11.941 -6.512 1.00 19.46 C ATOM 1060 CG2 VAL B 13 -25.097 -13.039 -7.029 1.00 20.64 C ATOM 1061 H VAL B 13 -26.136 -15.122 -5.368 1.00 0.00 H ATOM 1062 N LYS B 14 -26.830 -15.293 -9.283 1.00 12.86 N ATOM 1063 CA LYS B 14 -26.101 -16.025 -10.322 1.00 12.50 C ATOM 1064 C LYS B 14 -25.512 -14.967 -11.230 1.00 12.68 C ATOM 1065 O LYS B 14 -26.242 -14.166 -11.788 1.00 16.21 O ATOM 1066 CB LYS B 14 -27.057 -16.960 -11.067 1.00 15.74 C ATOM 1067 CG LYS B 14 -26.358 -17.883 -12.038 1.00 18.49 C ATOM 1068 CD LYS B 14 -27.415 -18.920 -12.536 1.00 25.41 C ATOM 1069 CE LYS B 14 -26.984 -19.800 -13.650 1.00 36.61 C ATOM 1070 NZ LYS B 14 -28.195 -20.526 -14.063 1.00 30.28 N ATOM 1071 HZ1 LYS B 14 -28.558 -21.077 -13.259 1.00 0.00 H ATOM 1072 HZ2 LYS B 14 -28.918 -19.845 -14.372 1.00 0.00 H ATOM 1073 HZ3 LYS B 14 -27.963 -21.167 -14.848 1.00 0.00 H ATOM 1074 H LYS B 14 -27.650 -14.710 -9.547 1.00 0.00 H ATOM 1075 N VAL B 15 -24.189 -14.949 -11.340 1.00 11.75 N ATOM 1076 CA VAL B 15 -23.487 -13.899 -12.100 1.00 12.39 C ATOM 1077 C VAL B 15 -22.596 -14.614 -13.098 1.00 12.09 C ATOM 1078 O VAL B 15 -21.751 -15.445 -12.727 1.00 12.91 O ATOM 1079 CB VAL B 15 -22.733 -12.898 -11.184 1.00 13.32 C ATOM 1080 CG1 VAL B 15 -21.839 -13.636 -10.179 1.00 15.57 C ATOM 1081 CG2 VAL B 15 -21.957 -11.904 -12.057 1.00 16.24 C ATOM 1082 H VAL B 15 -23.633 -15.696 -10.877 1.00 0.00 H ATOM 1083 N GLY B 16 -22.816 -14.336 -14.373 1.00 14.16 N ATOM 1084 CA GLY B 16 -22.089 -15.089 -15.403 1.00 15.83 C ATOM 1085 C GLY B 16 -22.138 -16.605 -15.219 1.00 15.04 C ATOM 1086 O GLY B 16 -21.136 -17.305 -15.408 1.00 16.22 O ATOM 1087 H GLY B 16 -23.494 -13.595 -14.642 1.00 0.00 H ATOM 1088 N GLY B 17 -23.258 -17.123 -14.780 1.00 16.39 N ATOM 1089 CA GLY B 17 -23.384 -18.596 -14.670 1.00 16.36 C ATOM 1090 C GLY B 17 -22.897 -19.174 -13.344 1.00 13.88 C ATOM 1091 O GLY B 17 -23.037 -20.378 -13.126 1.00 15.18 O ATOM 1092 H GLY B 17 -24.051 -16.507 -14.511 1.00 0.00 H ATOM 1093 N GLN B 18 -22.346 -18.326 -12.455 1.00 11.97 N ATOM 1094 CA GLN B 18 -21.712 -18.781 -11.205 1.00 11.64 C ATOM 1095 C GLN B 18 -22.610 -18.350 -10.060 1.00 11.16 C ATOM 1096 O GLN B 18 -23.079 -17.232 -10.013 1.00 13.28 O ATOM 1097 CB GLN B 18 -20.304 -18.155 -11.106 1.00 12.62 C ATOM 1098 CG GLN B 18 -19.395 -18.789 -12.158 1.00 14.43 C ATOM 1099 CD GLN B 18 -18.312 -17.836 -12.666 1.00 14.00 C ATOM 1100 OE1 GLN B 18 -17.234 -17.799 -12.142 1.00 15.74 O ATOM 1101 NE2 GLN B 18 -18.607 -17.072 -13.702 1.00 19.16 N ATOM 1102 HE22 GLN B 18 -19.551 -17.126 -14.136 1.00 0.00 H ATOM 1103 HE21 GLN B 18 -17.896 -16.416 -14.084 1.00 0.00 H ATOM 1104 H GLN B 18 -22.369 -17.307 -12.659 1.00 0.00 H ATOM 1105 N LEU B 19 -22.745 -19.211 -9.034 1.00 12.01 N ATOM 1106 CA LEU B 19 -23.592 -18.903 -7.887 1.00 11.86 C ATOM 1107 C LEU B 19 -22.719 -18.256 -6.826 1.00 13.02 C ATOM 1108 O LEU B 19 -21.643 -18.770 -6.460 1.00 14.78 O ATOM 1109 CB LEU B 19 -24.155 -20.202 -7.320 1.00 14.13 C ATOM 1110 CG LEU B 19 -24.942 -21.050 -8.326 1.00 17.27 C ATOM 1111 CD1 LEU B 19 -25.572 -22.227 -7.627 1.00 18.61 C ATOM 1112 CD2 LEU B 19 -26.006 -20.239 -9.062 1.00 26.16 C ATOM 1113 H LEU B 19 -22.234 -20.116 -9.060 1.00 0.00 H ATOM 1114 N LYS B 20 -23.179 -17.093 -6.308 1.00 12.00 N ATOM 1115 CA LYS B 20 -22.401 -16.353 -5.311 1.00 13.02 C ATOM 1116 C LYS B 20 -23.376 -15.728 -4.312 1.00 12.93 C ATOM 1117 O LYS B 20 -24.565 -15.547 -4.618 1.00 15.89 O ATOM 1118 CB LYS B 20 -21.584 -15.224 -5.969 1.00 15.66 C ATOM 1119 CG LYS B 20 -20.473 -15.745 -6.872 1.00 18.69 C ATOM 1120 CD LYS B 20 -19.386 -16.483 -6.087 1.00 23.77 C ATOM 1121 CE LYS B 20 -18.090 -16.777 -6.788 1.00 32.20 C ATOM 1122 NZ LYS B 20 -17.188 -17.583 -5.936 1.00 42.54 N ATOM 1123 HZ1 LYS B 20 -16.980 -17.060 -5.061 1.00 0.00 H ATOM 1124 HZ2 LYS B 20 -17.649 -18.485 -5.701 1.00 0.00 H ATOM 1125 HZ3 LYS B 20 -16.303 -17.769 -6.449 1.00 0.00 H ATOM 1126 H LYS B 20 -24.097 -16.720 -6.622 1.00 0.00 H ATOM 1127 N GLU B 21 -22.865 -15.375 -3.144 1.00 13.86 N ATOM 1128 CA GLU B 21 -23.603 -14.496 -2.236 1.00 14.87 C ATOM 1129 C GLU B 21 -22.974 -13.117 -2.259 1.00 12.15 C ATOM 1130 O GLU B 21 -21.759 -12.984 -2.443 1.00 14.52 O ATOM 1131 CB GLU B 21 -23.512 -15.069 -0.840 1.00 18.49 C ATOM 1132 CG GLU B 21 -24.345 -16.329 -0.719 1.00 22.85 C ATOM 1133 CD GLU B 21 -24.571 -16.803 0.696 1.00 25.21 C ATOM 1134 OE1 GLU B 21 -25.387 -16.151 1.390 1.00 32.57 O ATOM 1135 OE2 GLU B 21 -23.881 -17.769 1.104 1.00 34.90 O ATOM 1136 H GLU B 21 -21.926 -15.727 -2.867 1.00 0.00 H ATOM 1137 N ALA B 22 -23.790 -12.096 -2.113 1.00 12.29 N ATOM 1138 CA ALA B 22 -23.292 -10.716 -2.181 1.00 11.98 C ATOM 1139 C ALA B 22 -24.193 -9.814 -1.336 1.00 12.36 C ATOM 1140 O ALA B 22 -25.376 -10.093 -1.126 1.00 14.87 O ATOM 1141 CB ALA B 22 -23.295 -10.214 -3.633 1.00 13.18 C ATOM 1142 H ALA B 22 -24.802 -12.268 -1.947 1.00 0.00 H ATOM 1143 N LEU B 23 -23.598 -8.767 -0.813 1.00 13.06 N ATOM 1144 CA LEU B 23 -24.273 -7.866 0.074 1.00 15.02 C ATOM 1145 C LEU B 23 -25.054 -6.806 -0.765 1.00 14.42 C ATOM 1146 O LEU B 23 -24.467 -6.193 -1.647 1.00 17.17 O ATOM 1147 CB LEU B 23 -23.041 -7.413 0.878 1.00 18.11 C ATOM 1148 CG LEU B 23 -23.222 -6.438 2.017 1.00 14.79 C ATOM 1149 CD1 LEU B 23 -23.860 -7.188 3.190 1.00 16.03 C ATOM 1150 CD2 LEU B 23 -21.893 -5.774 2.423 1.00 15.43 C ATOM 1151 H LEU B 23 -22.602 -8.585 -1.051 1.00 0.00 H ATOM 1152 N LEU B 24 -26.383 -6.567 -0.537 1.00 14.12 N ATOM 1153 CA LEU B 24 -27.142 -5.468 -1.193 1.00 15.48 C ATOM 1154 C LEU B 24 -26.734 -4.156 -0.513 1.00 13.79 C ATOM 1155 O LEU B 24 -27.240 -3.881 0.592 1.00 12.53 O ATOM 1156 CB LEU B 24 -28.657 -5.589 -0.943 1.00 16.98 C ATOM 1157 CG LEU B 24 -29.528 -6.639 -1.629 1.00 18.15 C ATOM 1158 CD1 LEU B 24 -30.967 -6.450 -1.124 1.00 17.39 C ATOM 1159 CD2 LEU B 24 -29.525 -6.471 -3.149 1.00 18.65 C ATOM 1160 H LEU B 24 -26.888 -7.186 0.129 1.00 0.00 H ATOM 1161 N ASP B 25 -25.797 -3.400 -1.122 1.00 13.63 N ATOM 1162 CA ASP B 25 -24.967 -2.364 -0.522 1.00 12.71 C ATOM 1163 C ASP B 25 -25.282 -0.999 -1.103 1.00 12.13 C ATOM 1164 O ASP B 25 -24.779 -0.598 -2.180 1.00 12.16 O ATOM 1165 CB ASP B 25 -23.537 -2.763 -0.828 1.00 13.36 C ATOM 1166 CG ASP B 25 -22.611 -1.889 -0.066 1.00 16.59 C ATOM 1167 OD1 ASP B 25 -23.115 -0.867 0.525 1.00 16.73 O ATOM 1168 OD2 ASP B 25 -21.413 -2.139 -0.092 1.00 17.39 O ATOM 1169 H ASP B 25 -25.650 -3.577 -2.136 1.00 0.00 H ATOM 1170 N THR B 26 -26.123 -0.231 -0.402 1.00 10.72 N ATOM 1171 CA THR B 26 -26.533 1.068 -0.886 1.00 10.16 C ATOM 1172 C THR B 26 -25.367 2.048 -0.886 1.00 9.85 C ATOM 1173 O THR B 26 -25.483 3.082 -1.557 1.00 10.68 O ATOM 1174 CB THR B 26 -27.699 1.626 -0.041 1.00 10.23 C ATOM 1175 OG1 THR B 26 -27.308 1.688 1.346 1.00 10.54 O ATOM 1176 CG2 THR B 26 -28.920 0.718 -0.147 1.00 11.98 C ATOM 1177 HG1 THR B 26 -26.521 2.281 1.440 1.00 0.00 H ATOM 1178 H THR B 26 -26.489 -0.575 0.509 1.00 0.00 H ATOM 1179 N GLY B 27 -24.274 1.735 -0.176 1.00 9.85 N ATOM 1180 CA GLY B 27 -23.075 2.557 -0.209 1.00 9.92 C ATOM 1181 C GLY B 27 -22.125 2.240 -1.357 1.00 10.05 C ATOM 1182 O GLY B 27 -21.098 2.902 -1.441 1.00 11.73 O ATOM 1183 H GLY B 27 -24.284 0.880 0.415 1.00 0.00 H ATOM 1184 N ALA B 28 -22.488 1.283 -2.210 1.00 10.41 N ATOM 1185 CA ALA B 28 -21.602 0.918 -3.326 1.00 10.36 C ATOM 1186 C ALA B 28 -22.225 1.435 -4.630 1.00 9.80 C ATOM 1187 O ALA B 28 -23.380 1.123 -4.940 1.00 11.21 O ATOM 1188 CB ALA B 28 -21.565 -0.625 -3.379 1.00 12.22 C ATOM 1189 H ALA B 28 -23.398 0.794 -2.087 1.00 0.00 H ATOM 1190 N ASP B 29 -21.468 2.200 -5.422 1.00 9.72 N ATOM 1191 CA ASP B 29 -21.949 2.626 -6.719 1.00 10.62 C ATOM 1192 C ASP B 29 -22.016 1.435 -7.671 1.00 10.92 C ATOM 1193 O ASP B 29 -22.951 1.346 -8.466 1.00 11.78 O ATOM 1194 CB ASP B 29 -21.050 3.683 -7.335 1.00 11.59 C ATOM 1195 CG ASP B 29 -20.893 4.988 -6.592 1.00 13.88 C ATOM 1196 OD1 ASP B 29 -21.742 5.316 -5.744 1.00 14.53 O ATOM 1197 OD2 ASP B 29 -19.965 5.752 -6.949 1.00 19.16 O ATOM 1198 H ASP B 29 -20.522 2.493 -5.103 1.00 0.00 H ATOM 1199 N ASN B 30 -21.002 0.587 -7.630 1.00 11.23 N ATOM 1200 CA ASN B 30 -20.766 -0.497 -8.566 1.00 11.31 C ATOM 1201 C ASN B 30 -20.904 -1.851 -7.888 1.00 10.17 C ATOM 1202 O ASN B 30 -20.743 -1.979 -6.680 1.00 12.95 O ATOM 1203 CB ASN B 30 -19.334 -0.414 -9.151 1.00 13.02 C ATOM 1204 CG ASN B 30 -19.299 0.527 -10.327 1.00 16.97 C ATOM 1205 OD1 ASN B 30 -19.225 1.731 -10.155 1.00 16.06 O ATOM 1206 ND2 ASN B 30 -19.484 0.010 -11.515 1.00 17.87 N ATOM 1207 HD22 ASN B 30 -19.543 -1.022 -11.630 1.00 0.00 H ATOM 1208 HD21 ASN B 30 -19.572 0.631 -12.344 1.00 0.00 H ATOM 1209 H ASN B 30 -20.314 0.707 -6.860 1.00 0.00 H ATOM 1210 N THR B 31 -21.129 -2.842 -8.712 1.00 11.30 N ATOM 1211 CA THR B 31 -21.245 -4.239 -8.272 1.00 10.36 C ATOM 1212 C THR B 31 -19.909 -4.933 -8.479 1.00 10.28 C ATOM 1213 O THR B 31 -19.290 -4.808 -9.553 1.00 11.68 O ATOM 1214 CB THR B 31 -22.339 -4.881 -9.152 1.00 11.36 C ATOM 1215 OG1 THR B 31 -23.562 -4.240 -8.805 1.00 14.39 O ATOM 1216 CG2 THR B 31 -22.404 -6.377 -8.969 1.00 12.75 C ATOM 1217 HG1 THR B 31 -24.298 -4.621 -9.347 1.00 0.00 H ATOM 1218 H THR B 31 -21.230 -2.631 -9.725 1.00 0.00 H ATOM 1219 N ILE B 32 -19.410 -5.613 -7.438 1.00 10.38 N ATOM 1220 CA ILE B 32 -18.061 -6.162 -7.429 1.00 10.38 C ATOM 1221 C ILE B 32 -18.077 -7.574 -6.876 1.00 9.87 C ATOM 1222 O ILE B 32 -18.653 -7.821 -5.795 1.00 11.47 O ATOM 1223 CB ILE B 32 -17.106 -5.305 -6.568 1.00 11.90 C ATOM 1224 CG1 ILE B 32 -17.262 -3.804 -6.837 1.00 14.07 C ATOM 1225 CG2 ILE B 32 -15.671 -5.802 -6.750 1.00 12.68 C ATOM 1226 CD1 ILE B 32 -16.354 -2.947 -5.973 1.00 17.00 C ATOM 1227 H ILE B 32 -20.011 -5.755 -6.601 1.00 0.00 H ATOM 1228 N PHE B 33 -17.449 -8.489 -7.614 1.00 10.70 N ATOM 1229 CA PHE B 33 -17.249 -9.856 -7.157 1.00 11.03 C ATOM 1230 C PHE B 33 -15.791 -10.246 -7.206 1.00 11.99 C ATOM 1231 O PHE B 33 -15.059 -9.819 -8.110 1.00 13.32 O ATOM 1232 CB PHE B 33 -17.961 -10.836 -8.119 1.00 13.63 C ATOM 1233 CG PHE B 33 -19.439 -10.865 -7.893 1.00 12.74 C ATOM 1234 CD1 PHE B 33 -20.246 -9.934 -8.530 1.00 13.15 C ATOM 1235 CD2 PHE B 33 -20.017 -11.763 -7.001 1.00 12.10 C ATOM 1236 CE1 PHE B 33 -21.600 -9.859 -8.242 1.00 14.69 C ATOM 1237 CE2 PHE B 33 -21.383 -11.700 -6.747 1.00 12.60 C ATOM 1238 CZ PHE B 33 -22.173 -10.746 -7.352 1.00 14.08 C ATOM 1239 H PHE B 33 -17.089 -8.216 -8.551 1.00 0.00 H ATOM 1240 N GLU B 34 -15.421 -11.124 -6.267 1.00 12.60 N ATOM 1241 CA GLU B 34 -14.150 -11.845 -6.289 1.00 14.15 C ATOM 1242 C GLU B 34 -14.378 -13.261 -6.842 1.00 14.58 C ATOM 1243 O GLU B 34 -15.473 -13.828 -6.713 1.00 18.76 O ATOM 1244 CB GLU B 34 -13.523 -11.922 -4.893 1.00 18.26 C ATOM 1245 CG GLU B 34 -12.119 -12.472 -5.022 1.00 28.34 C ATOM 1246 CD GLU B 34 -11.307 -12.658 -3.764 1.00 36.28 C ATOM 1247 OE1 GLU B 34 -11.953 -12.897 -2.723 1.00 36.40 O ATOM 1248 OE2 GLU B 34 -10.027 -12.773 -3.886 1.00 39.39 O ATOM 1249 H GLU B 34 -16.074 -11.303 -5.478 1.00 0.00 H ATOM 1250 N ASP B 35 -13.357 -13.769 -7.505 1.00 20.22 N ATOM 1251 CA ASP B 35 -13.344 -15.201 -7.778 1.00 24.24 C ATOM 1252 C ASP B 35 -14.509 -15.634 -8.654 1.00 21.11 C ATOM 1253 O ASP B 35 -15.166 -16.674 -8.404 1.00 22.33 O ATOM 1254 CB ASP B 35 -13.297 -16.061 -6.519 1.00 29.76 C ATOM 1255 CG ASP B 35 -12.035 -15.852 -5.685 1.00 40.76 C ATOM 1256 OD1 ASP B 35 -10.920 -15.621 -6.289 1.00 38.64 O ATOM 1257 OD2 ASP B 35 -12.160 -15.865 -4.445 1.00 66.70 O ATOM 1258 H ASP B 35 -12.577 -13.160 -7.826 1.00 0.00 H ATOM 1259 N ILE B 36 -14.710 -14.876 -9.724 1.00 16.88 N ATOM 1260 CA ILE B 36 -15.542 -15.307 -10.817 1.00 14.50 C ATOM 1261 C ILE B 36 -14.741 -15.107 -12.071 1.00 14.59 C ATOM 1262 O ILE B 36 -13.812 -14.271 -12.155 1.00 18.73 O ATOM 1263 CB ILE B 36 -16.872 -14.579 -10.915 1.00 14.96 C ATOM 1264 CG1 ILE B 36 -16.726 -13.072 -11.148 1.00 14.68 C ATOM 1265 CG2 ILE B 36 -17.778 -14.905 -9.684 1.00 17.76 C ATOM 1266 CD1 ILE B 36 -18.103 -12.383 -11.434 1.00 15.27 C ATOM 1267 H ILE B 36 -14.253 -13.943 -9.775 1.00 0.00 H ATOM 1268 N ASN B 37 -15.096 -15.908 -13.069 1.00 14.51 N ATOM 1269 CA ASN B 37 -14.443 -15.773 -14.364 1.00 16.93 C ATOM 1270 C ASN B 37 -15.506 -15.371 -15.381 1.00 15.60 C ATOM 1271 O ASN B 37 -16.577 -16.033 -15.426 1.00 17.31 O ATOM 1272 CB ASN B 37 -13.759 -17.048 -14.869 1.00 24.56 C ATOM 1273 CG ASN B 37 -12.737 -17.672 -13.945 1.00 31.19 C ATOM 1274 OD1 ASN B 37 -12.667 -18.895 -13.849 1.00 36.82 O ATOM 1275 ND2 ASN B 37 -11.949 -16.859 -13.266 1.00 29.03 N ATOM 1276 HD22 ASN B 37 -12.043 -15.829 -13.378 1.00 0.00 H ATOM 1277 HD21 ASN B 37 -11.234 -17.248 -12.619 1.00 0.00 H ATOM 1278 H ASN B 37 -15.835 -16.626 -12.927 1.00 0.00 H ATOM 1279 N LEU B 38 -15.249 -14.311 -16.136 1.00 16.50 N ATOM 1280 CA LEU B 38 -16.187 -13.822 -17.109 1.00 14.82 C ATOM 1281 C LEU B 38 -15.463 -13.788 -18.430 1.00 15.32 C ATOM 1282 O LEU B 38 -14.254 -13.588 -18.504 1.00 17.11 O ATOM 1283 CB LEU B 38 -16.618 -12.396 -16.719 1.00 14.43 C ATOM 1284 CG LEU B 38 -17.454 -12.334 -15.426 1.00 13.12 C ATOM 1285 CD1 LEU B 38 -17.778 -10.881 -15.120 1.00 15.60 C ATOM 1286 CD2 LEU B 38 -18.738 -13.086 -15.620 1.00 15.49 C ATOM 1287 H LEU B 38 -14.340 -13.818 -16.020 1.00 0.00 H ATOM 1288 N PRO B 39 -16.196 -14.051 -19.500 1.00 15.64 N ATOM 1289 CA PRO B 39 -15.579 -14.108 -20.834 1.00 17.20 C ATOM 1290 C PRO B 39 -15.442 -12.733 -21.481 1.00 16.47 C ATOM 1291 O PRO B 39 -16.104 -11.777 -21.120 1.00 16.97 O ATOM 1292 CB PRO B 39 -16.629 -14.936 -21.634 1.00 19.35 C ATOM 1293 CG PRO B 39 -17.946 -14.474 -21.021 1.00 19.07 C ATOM 1294 CD PRO B 39 -17.647 -14.330 -19.535 1.00 15.90 C ATOM 1295 N GLY B 40 -14.575 -12.674 -22.452 1.00 17.77 N ATOM 1296 CA GLY B 40 -14.491 -11.529 -23.355 1.00 20.36 C ATOM 1297 C GLY B 40 -13.619 -10.394 -22.831 1.00 17.05 C ATOM 1298 O GLY B 40 -12.843 -10.532 -21.893 1.00 19.75 O ATOM 1299 H GLY B 40 -13.920 -13.470 -22.589 1.00 0.00 H ATOM 1300 N ARG B 41 -13.695 -9.269 -23.548 1.00 22.44 N ATOM 1301 CA ARG B 41 -12.881 -8.103 -23.264 1.00 25.16 C ATOM 1302 C ARG B 41 -13.329 -7.409 -21.974 1.00 19.52 C ATOM 1303 O ARG B 41 -14.463 -7.512 -21.517 1.00 18.90 O ATOM 1304 CB ARG B 41 -12.864 -7.173 -24.495 1.00 33.38 C ATOM 1305 CG ARG B 41 -12.285 -7.859 -25.758 1.00 55.63 C ATOM 1306 CD ARG B 41 -11.819 -6.715 -26.860 1.00 56.60 C ATOM 1307 NE ARG B 41 -11.865 -7.298 -28.181 1.00 81.29 N ATOM 1308 CZ ARG B 41 -11.491 -6.631 -29.348 1.00 78.48 C ATOM 1309 NH1 ARG B 41 -11.025 -5.366 -29.334 1.00 73.12 N ATOM 1310 NH2 ARG B 41 -11.564 -7.289 -30.494 1.00 70.56 N ATOM 1311 HE ARG B 41 -12.199 -8.279 -28.268 1.00 0.00 H ATOM 1312 HH12 ARG B 41 -10.756 -4.901 -30.225 1.00 0.00 H ATOM 1313 HH11 ARG B 41 -10.935 -4.855 -28.433 1.00 0.00 H ATOM 1314 HH22 ARG B 41 -11.292 -6.820 -31.381 1.00 0.00 H ATOM 1315 HH21 ARG B 41 -11.893 -8.275 -30.507 1.00 0.00 H ATOM 1316 H ARG B 41 -14.365 -9.228 -24.342 1.00 0.00 H ATOM 1317 N TRP B 42 -12.358 -6.724 -21.397 1.00 20.33 N ATOM 1318 CA TRP B 42 -12.610 -5.988 -20.164 1.00 18.72 C ATOM 1319 C TRP B 42 -11.695 -4.769 -20.181 1.00 20.89 C ATOM 1320 O TRP B 42 -10.761 -4.655 -21.014 1.00 22.28 O ATOM 1321 CB TRP B 42 -12.329 -6.854 -18.966 1.00 19.80 C ATOM 1322 CG TRP B 42 -11.014 -7.540 -18.939 1.00 21.67 C ATOM 1323 CD1 TRP B 42 -10.738 -8.772 -19.497 1.00 25.53 C ATOM 1324 CD2 TRP B 42 -9.776 -7.020 -18.464 1.00 27.28 C ATOM 1325 NE1 TRP B 42 -9.439 -9.084 -19.297 1.00 30.31 N ATOM 1326 CE2 TRP B 42 -8.801 -8.025 -18.696 1.00 29.31 C ATOM 1327 CE3 TRP B 42 -9.411 -5.844 -17.823 1.00 25.82 C ATOM 1328 CZ2 TRP B 42 -7.458 -7.874 -18.337 1.00 39.43 C ATOM 1329 CZ3 TRP B 42 -8.081 -5.674 -17.487 1.00 31.50 C ATOM 1330 CH2 TRP B 42 -7.122 -6.678 -17.730 1.00 40.17 C ATOM 1331 HE1 TRP B 42 -8.991 -9.986 -19.557 1.00 0.00 H ATOM 1332 H TRP B 42 -11.410 -6.710 -21.824 1.00 0.00 H ATOM 1333 N LYS B 43 -11.973 -3.827 -19.289 1.00 19.26 N ATOM 1334 CA LYS B 43 -11.132 -2.637 -19.115 1.00 22.11 C ATOM 1335 C LYS B 43 -10.617 -2.587 -17.675 1.00 20.55 C ATOM 1336 O LYS B 43 -11.339 -2.872 -16.715 1.00 19.96 O ATOM 1337 CB LYS B 43 -11.851 -1.320 -19.511 1.00 25.69 C ATOM 1338 CG LYS B 43 -12.164 -1.279 -21.018 1.00 36.05 C ATOM 1339 CD LYS B 43 -12.126 0.053 -21.767 1.00 41.45 C ATOM 1340 CE LYS B 43 -12.576 0.047 -23.226 1.00 43.69 C ATOM 1341 NZ LYS B 43 -12.532 1.422 -23.811 1.00 41.82 N ATOM 1342 HZ1 LYS B 43 -13.163 2.048 -23.271 1.00 0.00 H ATOM 1343 HZ2 LYS B 43 -11.559 1.786 -23.765 1.00 0.00 H ATOM 1344 HZ3 LYS B 43 -12.843 1.386 -24.803 1.00 0.00 H ATOM 1345 H LYS B 43 -12.817 -3.936 -18.692 1.00 0.00 H ATOM 1346 N PRO B 44 -9.408 -2.055 -17.506 1.00 22.69 N ATOM 1347 CA PRO B 44 -8.921 -1.796 -16.151 1.00 20.90 C ATOM 1348 C PRO B 44 -9.637 -0.622 -15.489 1.00 18.31 C ATOM 1349 O PRO B 44 -10.030 0.372 -16.102 1.00 21.09 O ATOM 1350 CB PRO B 44 -7.472 -1.383 -16.416 1.00 24.90 C ATOM 1351 CG PRO B 44 -7.509 -0.749 -17.803 1.00 30.91 C ATOM 1352 CD PRO B 44 -8.510 -1.576 -18.577 1.00 31.11 C ATOM 1353 N LYS B 45 -9.826 -0.802 -14.197 1.00 19.49 N ATOM 1354 CA LYS B 45 -10.286 0.295 -13.372 1.00 29.80 C ATOM 1355 C LYS B 45 -9.584 0.114 -12.024 1.00 50.35 C ATOM 1356 O LYS B 45 -9.466 -1.014 -11.527 1.00 38.83 O ATOM 1357 CB LYS B 45 -11.825 0.312 -13.350 1.00 28.41 C ATOM 1358 CG LYS B 45 -12.496 -0.128 -14.658 1.00 30.89 C ATOM 1359 CD LYS B 45 -12.690 0.927 -15.734 1.00 31.30 C ATOM 1360 CE LYS B 45 -13.629 2.057 -15.337 1.00 34.75 C ATOM 1361 NZ LYS B 45 -15.042 1.719 -15.636 1.00 34.08 N ATOM 1362 HZ1 LYS B 45 -15.147 1.545 -16.656 1.00 0.00 H ATOM 1363 HZ2 LYS B 45 -15.312 0.865 -15.108 1.00 0.00 H ATOM 1364 HZ3 LYS B 45 -15.654 2.511 -15.353 1.00 0.00 H ATOM 1365 H LYS B 45 -9.645 -1.733 -13.770 1.00 0.00 H ATOM 1366 N MET B 46 -9.033 1.201 -11.491 1.00 50.58 N ATOM 1367 CA MET B 46 -8.721 1.144 -10.081 1.00 31.87 C ATOM 1368 C MET B 46 -9.875 1.797 -9.320 1.00 18.49 C ATOM 1369 O MET B 46 -10.335 2.878 -9.681 1.00 24.84 O ATOM 1370 CB MET B 46 -7.392 1.844 -9.790 1.00 33.96 C ATOM 1371 CG MET B 46 -6.224 1.176 -10.487 1.00 42.34 C ATOM 1372 SD MET B 46 -4.626 1.899 -9.988 1.00 48.35 S ATOM 1373 CE MET B 46 -3.666 1.758 -11.499 1.00 50.45 C ATOM 1374 H MET B 46 -8.837 2.049 -12.060 1.00 0.00 H ATOM 1375 N VAL B 47 -10.303 1.155 -8.228 1.00 22.55 N ATOM 1376 CA VAL B 47 -11.454 1.636 -7.454 1.00 20.25 C ATOM 1377 C VAL B 47 -11.249 1.750 -5.924 1.00 21.08 C ATOM 1378 O VAL B 47 -10.476 0.997 -5.363 1.00 27.10 O ATOM 1379 CB VAL B 47 -12.763 0.922 -7.827 1.00 19.62 C ATOM 1380 CG1 VAL B 47 -13.138 1.008 -9.313 1.00 22.97 C ATOM 1381 CG2 VAL B 47 -12.836 -0.504 -7.309 1.00 23.06 C ATOM 1382 H VAL B 47 -9.808 0.294 -7.919 1.00 0.00 H ATOM 1383 N GLY B 48 -11.927 2.693 -5.225 1.00 18.74 N ATOM 1384 CA GLY B 48 -11.522 3.083 -3.869 1.00 17.35 C ATOM 1385 C GLY B 48 -12.577 2.858 -2.789 1.00 16.95 C ATOM 1386 O GLY B 48 -13.771 3.062 -2.995 1.00 20.86 O ATOM 1387 H GLY B 48 -12.753 3.151 -5.660 1.00 0.00 H ATOM 1388 N GLY B 49 -12.086 2.562 -1.581 1.00 20.51 N ATOM 1389 CA GLY B 49 -12.945 2.249 -0.478 1.00 22.85 C ATOM 1390 C GLY B 49 -12.353 2.877 0.762 1.00 19.47 C ATOM 1391 O GLY B 49 -11.444 3.715 0.654 1.00 24.85 O ATOM 1392 H GLY B 49 -11.056 2.559 -1.439 1.00 0.00 H ATOM 1393 N ILE B 50 -12.769 2.274 1.872 1.00 18.24 N ATOM 1394 CA ILE B 50 -12.259 2.692 3.144 1.00 17.26 C ATOM 1395 C ILE B 50 -10.808 2.274 3.308 1.00 18.58 C ATOM 1396 O ILE B 50 -10.069 2.977 3.968 1.00 25.67 O ATOM 1397 CB ILE B 50 -13.172 2.221 4.276 1.00 17.61 C ATOM 1398 CG1 ILE B 50 -13.689 3.392 5.123 1.00 16.07 C ATOM 1399 CG2 ILE B 50 -12.364 1.411 5.241 1.00 20.00 C ATOM 1400 CD1 ILE B 50 -14.391 2.886 6.346 1.00 17.98 C ATOM 1401 H ILE B 50 -13.463 1.501 1.817 1.00 0.00 H ATOM 1402 N GLY B 51 -10.354 1.164 2.754 1.00 24.06 N ATOM 1403 CA GLY B 51 -9.002 0.861 3.238 1.00 30.92 C ATOM 1404 C GLY B 51 -7.868 1.261 2.298 1.00 24.09 C ATOM 1405 O GLY B 51 -6.696 0.925 2.509 1.00 32.81 O ATOM 1406 H GLY B 51 -10.882 0.585 2.070 1.00 0.00 H ATOM 1407 N GLY B 52 -8.231 1.988 1.255 1.00 17.19 N ATOM 1408 CA GLY B 52 -7.388 2.096 0.088 1.00 25.03 C ATOM 1409 C GLY B 52 -8.176 1.788 -1.172 1.00 22.19 C ATOM 1410 O GLY B 52 -9.403 1.868 -1.178 1.00 21.61 O ATOM 1411 H GLY B 52 -9.141 2.491 1.276 1.00 0.00 H ATOM 1412 N PHE B 53 -7.444 1.343 -2.193 1.00 26.95 N ATOM 1413 CA PHE B 53 -7.990 1.107 -3.519 1.00 25.63 C ATOM 1414 C PHE B 53 -7.942 -0.417 -3.772 1.00 21.94 C ATOM 1415 O PHE B 53 -7.130 -1.143 -3.194 1.00 26.19 O ATOM 1416 CB PHE B 53 -7.350 2.085 -4.546 1.00 28.37 C ATOM 1417 CG PHE B 53 -8.017 3.441 -4.795 1.00 25.87 C ATOM 1418 CD1 PHE B 53 -7.923 4.484 -3.878 1.00 28.25 C ATOM 1419 CD2 PHE B 53 -8.784 3.675 -5.946 1.00 24.36 C ATOM 1420 CE1 PHE B 53 -8.605 5.679 -4.080 1.00 23.74 C ATOM 1421 CE2 PHE B 53 -9.448 4.884 -6.162 1.00 25.10 C ATOM 1422 CZ PHE B 53 -9.407 5.859 -5.190 1.00 21.50 C ATOM 1423 H PHE B 53 -6.434 1.156 -2.033 1.00 0.00 H ATOM 1424 N LEU B 54 -8.779 -0.866 -4.719 1.00 21.60 N ATOM 1425 CA LEU B 54 -8.862 -2.250 -5.184 1.00 21.40 C ATOM 1426 C LEU B 54 -8.648 -2.180 -6.701 1.00 20.56 C ATOM 1427 O LEU B 54 -9.366 -1.415 -7.382 1.00 21.27 O ATOM 1428 CB LEU B 54 -10.247 -2.819 -4.858 1.00 20.61 C ATOM 1429 CG LEU B 54 -10.519 -4.255 -5.342 1.00 18.32 C ATOM 1430 CD1 LEU B 54 -9.678 -5.228 -4.524 1.00 23.67 C ATOM 1431 CD2 LEU B 54 -12.010 -4.590 -5.213 1.00 19.87 C ATOM 1432 H LEU B 54 -9.420 -0.175 -5.158 1.00 0.00 H ATOM 1433 N LYS B 55 -7.766 -3.009 -7.238 1.00 20.59 N ATOM 1434 CA LYS B 55 -7.622 -3.118 -8.691 1.00 23.50 C ATOM 1435 C LYS B 55 -8.649 -4.133 -9.216 1.00 19.42 C ATOM 1436 O LYS B 55 -8.778 -5.229 -8.682 1.00 19.77 O ATOM 1437 CB LYS B 55 -6.256 -3.735 -9.003 1.00 25.60 C ATOM 1438 CG LYS B 55 -5.866 -3.767 -10.474 1.00 34.49 C ATOM 1439 CD LYS B 55 -4.358 -3.903 -10.636 1.00 44.53 C ATOM 1440 CE LYS B 55 -3.803 -5.115 -9.912 1.00 53.97 C ATOM 1441 NZ LYS B 55 -2.325 -5.173 -10.010 1.00 65.37 N ATOM 1442 HZ1 LYS B 55 -2.047 -5.229 -11.011 1.00 0.00 H ATOM 1443 HZ2 LYS B 55 -1.917 -4.317 -9.583 1.00 0.00 H ATOM 1444 HZ3 LYS B 55 -1.978 -6.013 -9.505 1.00 0.00 H ATOM 1445 H LYS B 55 -7.167 -3.591 -6.619 1.00 0.00 H ATOM 1446 N VAL B 56 -9.390 -3.769 -10.267 1.00 18.23 N ATOM 1447 CA VAL B 56 -10.417 -4.656 -10.814 1.00 15.91 C ATOM 1448 C VAL B 56 -10.388 -4.690 -12.341 1.00 16.22 C ATOM 1449 O VAL B 56 -9.802 -3.813 -13.006 1.00 18.18 O ATOM 1450 CB VAL B 56 -11.810 -4.177 -10.354 1.00 16.31 C ATOM 1451 CG1 VAL B 56 -12.006 -4.243 -8.843 1.00 17.84 C ATOM 1452 CG2 VAL B 56 -12.190 -2.819 -10.933 1.00 17.66 C ATOM 1453 H VAL B 56 -9.234 -2.838 -10.704 1.00 0.00 H ATOM 1454 N ARG B 57 -11.093 -5.672 -12.895 1.00 15.49 N ATOM 1455 CA ARG B 57 -11.428 -5.738 -14.302 1.00 14.99 C ATOM 1456 C ARG B 57 -12.880 -5.375 -14.459 1.00 13.92 C ATOM 1457 O ARG B 57 -13.719 -5.909 -13.711 1.00 15.63 O ATOM 1458 CB ARG B 57 -11.300 -7.169 -14.833 1.00 16.41 C ATOM 1459 CG ARG B 57 -9.870 -7.674 -14.838 1.00 19.77 C ATOM 1460 CD ARG B 57 -9.942 -9.101 -15.423 1.00 24.85 C ATOM 1461 NE ARG B 57 -8.612 -9.666 -15.581 1.00 27.64 N ATOM 1462 CZ ARG B 57 -8.411 -10.822 -16.200 1.00 28.61 C ATOM 1463 NH1 ARG B 57 -9.454 -11.413 -16.788 1.00 27.25 N ATOM 1464 NH2 ARG B 57 -7.177 -11.300 -16.316 1.00 38.27 N ATOM 1465 HE ARG B 57 -7.795 -9.149 -15.198 1.00 0.00 H ATOM 1466 HH12 ARG B 57 -9.328 -12.320 -17.281 1.00 0.00 H ATOM 1467 HH11 ARG B 57 -10.393 -10.966 -16.753 1.00 0.00 H ATOM 1468 HH22 ARG B 57 -7.014 -12.206 -16.800 1.00 0.00 H ATOM 1469 HH21 ARG B 57 -6.374 -10.768 -15.923 1.00 0.00 H ATOM 1470 H ARG B 57 -11.425 -6.441 -12.279 1.00 0.00 H ATOM 1471 N GLU B 58 -13.221 -4.481 -15.386 1.00 14.01 N ATOM 1472 CA GLU B 58 -14.613 -4.083 -15.614 1.00 13.38 C ATOM 1473 C GLU B 58 -15.141 -4.801 -16.854 1.00 14.64 C ATOM 1474 O GLU B 58 -14.596 -4.644 -17.962 1.00 15.86 O ATOM 1475 CB GLU B 58 -14.734 -2.578 -15.882 1.00 16.49 C ATOM 1476 CG GLU B 58 -16.133 -2.105 -16.154 1.00 19.37 C ATOM 1477 CD GLU B 58 -16.168 -0.861 -17.057 1.00 30.28 C ATOM 1478 OE1 GLU B 58 -15.106 -0.442 -17.644 1.00 42.94 O ATOM 1479 OE2 GLU B 58 -17.193 -0.269 -17.184 1.00 35.19 O ATOM 1480 H GLU B 58 -12.474 -4.051 -15.968 1.00 0.00 H ATOM 1481 N TYR B 59 -16.208 -5.581 -16.641 1.00 13.66 N ATOM 1482 CA TYR B 59 -16.946 -6.282 -17.720 1.00 13.45 C ATOM 1483 C TYR B 59 -18.300 -5.626 -17.929 1.00 14.26 C ATOM 1484 O TYR B 59 -19.031 -5.386 -16.979 1.00 15.12 O ATOM 1485 CB TYR B 59 -17.132 -7.735 -17.309 1.00 14.55 C ATOM 1486 CG TYR B 59 -15.862 -8.562 -17.335 1.00 13.12 C ATOM 1487 CD1 TYR B 59 -15.001 -8.625 -16.205 1.00 15.21 C ATOM 1488 CD2 TYR B 59 -15.457 -9.200 -18.521 1.00 15.07 C ATOM 1489 CE1 TYR B 59 -13.851 -9.409 -16.250 1.00 15.92 C ATOM 1490 CE2 TYR B 59 -14.302 -9.956 -18.562 1.00 15.24 C ATOM 1491 CZ TYR B 59 -13.517 -10.078 -17.446 1.00 16.19 C ATOM 1492 OH TYR B 59 -12.406 -10.881 -17.496 1.00 18.58 O ATOM 1493 HH TYR B 59 -12.680 -11.808 -17.709 1.00 0.00 H ATOM 1494 H TYR B 59 -16.539 -5.702 -15.662 1.00 0.00 H ATOM 1495 N ASP B 60 -18.700 -5.391 -19.184 1.00 17.66 N ATOM 1496 CA ASP B 60 -19.985 -4.797 -19.511 1.00 21.68 C ATOM 1497 C ASP B 60 -20.976 -5.910 -19.902 1.00 18.10 C ATOM 1498 O ASP B 60 -20.598 -6.986 -20.448 1.00 22.74 O ATOM 1499 CB ASP B 60 -19.819 -3.797 -20.668 1.00 28.15 C ATOM 1500 CG ASP B 60 -18.902 -2.625 -20.363 1.00 38.32 C ATOM 1501 OD1 ASP B 60 -18.732 -2.256 -19.142 1.00 33.54 O ATOM 1502 OD2 ASP B 60 -18.366 -2.063 -21.363 1.00 33.38 O ATOM 1503 H ASP B 60 -18.060 -5.646 -19.963 1.00 0.00 H ATOM 1504 N GLN B 61 -22.278 -5.607 -19.739 1.00 27.39 N ATOM 1505 CA GLN B 61 -23.321 -6.465 -20.323 1.00 33.02 C ATOM 1506 C GLN B 61 -23.208 -7.906 -19.811 1.00 26.26 C ATOM 1507 O GLN B 61 -23.290 -8.901 -20.553 1.00 31.41 O ATOM 1508 CB GLN B 61 -23.245 -6.424 -21.861 1.00 59.63 C ATOM 1509 CG GLN B 61 -23.819 -5.158 -22.459 1.00 69.44 C ATOM 1510 CD GLN B 61 -24.697 -5.510 -23.631 1.00 96.56 C ATOM 1511 OE1 GLN B 61 -24.742 -6.672 -24.056 1.00 97.32 O ATOM 1512 NE2 GLN B 61 -25.409 -4.509 -24.136 1.00146.80 N ATOM 1513 HE22 GLN B 61 -25.324 -3.555 -23.731 1.00 0.00 H ATOM 1514 HE21 GLN B 61 -26.051 -4.680 -24.936 1.00 0.00 H ATOM 1515 H GLN B 61 -22.548 -4.761 -19.197 1.00 0.00 H ATOM 1516 N VAL B 62 -23.003 -8.076 -18.503 1.00 17.47 N ATOM 1517 CA VAL B 62 -22.906 -9.357 -17.764 1.00 16.95 C ATOM 1518 C VAL B 62 -24.292 -9.729 -17.244 1.00 15.69 C ATOM 1519 O VAL B 62 -24.926 -8.890 -16.581 1.00 16.34 O ATOM 1520 CB VAL B 62 -21.921 -9.285 -16.575 1.00 14.01 C ATOM 1521 CG1 VAL B 62 -21.810 -10.613 -15.809 1.00 16.12 C ATOM 1522 CG2 VAL B 62 -20.550 -8.810 -17.031 1.00 17.72 C ATOM 1523 H VAL B 62 -22.899 -7.210 -17.937 1.00 0.00 H ATOM 1524 N PRO B 63 -24.839 -10.908 -17.561 1.00 20.30 N ATOM 1525 CA PRO B 63 -26.081 -11.337 -16.921 1.00 20.76 C ATOM 1526 C PRO B 63 -25.922 -11.577 -15.418 1.00 14.04 C ATOM 1527 O PRO B 63 -24.968 -12.248 -14.999 1.00 19.76 O ATOM 1528 CB PRO B 63 -26.421 -12.647 -17.659 1.00 25.70 C ATOM 1529 CG PRO B 63 -25.719 -12.458 -18.981 1.00 32.45 C ATOM 1530 CD PRO B 63 -24.378 -11.821 -18.641 1.00 26.74 C ATOM 1531 N ILE B 64 -26.874 -11.033 -14.627 1.00 14.52 N ATOM 1532 CA ILE B 64 -26.974 -11.183 -13.185 1.00 15.42 C ATOM 1533 C ILE B 64 -28.423 -11.553 -12.895 1.00 16.11 C ATOM 1534 O ILE B 64 -29.359 -10.853 -13.292 1.00 17.79 O ATOM 1535 CB ILE B 64 -26.622 -9.896 -12.397 1.00 17.05 C ATOM 1536 CG1 ILE B 64 -25.279 -9.325 -12.791 1.00 17.99 C ATOM 1537 CG2 ILE B 64 -26.814 -10.146 -10.877 1.00 19.43 C ATOM 1538 CD1 ILE B 64 -25.222 -7.790 -12.663 1.00 17.22 C ATOM 1539 H ILE B 64 -27.601 -10.454 -15.093 1.00 0.00 H ATOM 1540 N GLU B 65 -28.583 -12.662 -12.196 1.00 15.14 N ATOM 1541 CA GLU B 65 -29.913 -13.059 -11.718 1.00 15.98 C ATOM 1542 C GLU B 65 -29.997 -12.739 -10.243 1.00 14.52 C ATOM 1543 O GLU B 65 -29.149 -13.242 -9.440 1.00 16.77 O ATOM 1544 CB GLU B 65 -30.142 -14.545 -11.942 1.00 18.10 C ATOM 1545 CG GLU B 65 -30.043 -14.863 -13.433 1.00 21.08 C ATOM 1546 CD GLU B 65 -30.330 -16.300 -13.740 1.00 23.22 C ATOM 1547 OE1 GLU B 65 -30.746 -17.027 -12.819 1.00 27.41 O ATOM 1548 OE2 GLU B 65 -30.132 -16.681 -14.903 1.00 36.18 O ATOM 1549 H GLU B 65 -27.759 -13.260 -11.982 1.00 0.00 H ATOM 1550 N ILE B 66 -30.968 -11.917 -9.882 1.00 16.02 N ATOM 1551 CA ILE B 66 -31.033 -11.385 -8.531 1.00 17.95 C ATOM 1552 C ILE B 66 -32.501 -11.111 -8.197 1.00 18.67 C ATOM 1553 O ILE B 66 -33.220 -10.486 -8.971 1.00 18.27 O ATOM 1554 CB ILE B 66 -30.158 -10.094 -8.418 1.00 17.35 C ATOM 1555 CG1 ILE B 66 -30.297 -9.540 -7.012 1.00 19.04 C ATOM 1556 CG2 ILE B 66 -30.503 -9.002 -9.476 1.00 20.02 C ATOM 1557 CD1 ILE B 66 -29.266 -8.468 -6.683 1.00 21.26 C ATOM 1558 H ILE B 66 -31.695 -11.647 -10.575 1.00 0.00 H ATOM 1559 N ALA B 67 -32.960 -11.659 -7.092 1.00 20.27 N ATOM 1560 CA ALA B 67 -34.264 -11.318 -6.501 1.00 23.92 C ATOM 1561 C ALA B 67 -35.388 -11.558 -7.522 1.00 24.41 C ATOM 1562 O ALA B 67 -36.393 -10.828 -7.600 1.00 25.95 O ATOM 1563 CB ALA B 67 -34.238 -9.883 -5.974 1.00 29.40 C ATOM 1564 H ALA B 67 -32.371 -12.369 -6.612 1.00 0.00 H ATOM 1565 N GLY B 68 -35.237 -12.604 -8.349 1.00 22.22 N ATOM 1566 CA GLY B 68 -36.323 -13.028 -9.220 1.00 23.85 C ATOM 1567 C GLY B 68 -36.227 -12.315 -10.572 1.00 26.27 C ATOM 1568 O GLY B 68 -37.021 -12.572 -11.475 1.00 30.95 O ATOM 1569 H GLY B 68 -34.333 -13.118 -8.368 1.00 0.00 H ATOM 1570 N HIS B 69 -35.218 -11.428 -10.713 1.00 20.24 N ATOM 1571 CA HIS B 69 -35.078 -10.637 -11.913 1.00 20.50 C ATOM 1572 C HIS B 69 -33.834 -11.122 -12.634 1.00 19.13 C ATOM 1573 O HIS B 69 -32.896 -11.630 -12.046 1.00 23.04 O ATOM 1574 CB HIS B 69 -34.953 -9.138 -11.638 1.00 24.61 C ATOM 1575 CG HIS B 69 -36.164 -8.533 -11.055 1.00 26.48 C ATOM 1576 ND1 HIS B 69 -36.337 -8.429 -9.692 1.00 29.79 N ATOM 1577 CD2 HIS B 69 -37.242 -7.975 -11.634 1.00 40.32 C ATOM 1578 CE1 HIS B 69 -37.485 -7.840 -9.433 1.00 35.49 C ATOM 1579 NE2 HIS B 69 -38.066 -7.565 -10.614 1.00 51.27 N ATOM 1580 H HIS B 69 -34.529 -11.313 -9.943 1.00 0.00 H ATOM 1581 N LYS B 70 -33.833 -10.877 -13.925 1.00 24.01 N ATOM 1582 CA LYS B 70 -32.635 -11.071 -14.679 1.00 25.47 C ATOM 1583 C LYS B 70 -32.345 -9.709 -15.251 1.00 26.41 C ATOM 1584 O LYS B 70 -33.177 -9.087 -15.925 1.00 28.16 O ATOM 1585 CB LYS B 70 -32.918 -12.045 -15.820 1.00 39.42 C ATOM 1586 CG LYS B 70 -32.885 -13.534 -15.504 1.00 47.81 C ATOM 1587 CD LYS B 70 -32.999 -14.412 -16.775 1.00 80.41 C ATOM 1588 CE LYS B 70 -32.036 -14.052 -17.903 1.00101.41 C ATOM 1589 NZ LYS B 70 -32.449 -14.521 -19.275 1.00 69.18 N ATOM 1590 HZ1 LYS B 70 -32.532 -15.558 -19.275 1.00 0.00 H ATOM 1591 HZ2 LYS B 70 -33.367 -14.099 -19.523 1.00 0.00 H ATOM 1592 HZ3 LYS B 70 -31.733 -14.229 -19.970 1.00 0.00 H ATOM 1593 H LYS B 70 -34.699 -10.544 -14.395 1.00 0.00 H ATOM 1594 N VAL B 71 -31.146 -9.265 -14.978 1.00 19.82 N ATOM 1595 CA VAL B 71 -30.733 -8.010 -15.549 1.00 24.31 C ATOM 1596 C VAL B 71 -29.366 -8.244 -16.179 1.00 18.78 C ATOM 1597 O VAL B 71 -28.781 -9.337 -16.073 1.00 22.55 O ATOM 1598 CB VAL B 71 -30.768 -6.874 -14.534 1.00 25.60 C ATOM 1599 CG1 VAL B 71 -32.129 -6.641 -13.888 1.00 30.48 C ATOM 1600 CG2 VAL B 71 -29.725 -7.132 -13.470 1.00 24.50 C ATOM 1601 H VAL B 71 -30.506 -9.806 -14.363 1.00 0.00 H ATOM 1602 N ILE B 72 -28.999 -7.281 -17.017 1.00 21.50 N ATOM 1603 CA ILE B 72 -27.687 -7.227 -17.647 1.00 22.13 C ATOM 1604 C ILE B 72 -27.015 -5.972 -17.101 1.00 22.69 C ATOM 1605 O ILE B 72 -27.662 -4.909 -17.075 1.00 23.20 O ATOM 1606 CB ILE B 72 -27.796 -7.175 -19.193 1.00 24.74 C ATOM 1607 CG1 ILE B 72 -28.559 -8.376 -19.766 1.00 27.44 C ATOM 1608 CG2 ILE B 72 -26.417 -7.016 -19.827 1.00 29.85 C ATOM 1609 CD1 ILE B 72 -28.005 -9.692 -19.347 1.00 26.15 C ATOM 1610 H ILE B 72 -29.683 -6.528 -17.234 1.00 0.00 H ATOM 1611 N GLY B 73 -25.776 -6.062 -16.687 1.00 20.06 N ATOM 1612 CA GLY B 73 -25.163 -4.877 -16.137 1.00 22.40 C ATOM 1613 C GLY B 73 -23.643 -4.983 -16.189 1.00 17.27 C ATOM 1614 O GLY B 73 -23.054 -5.996 -16.544 1.00 17.67 O ATOM 1615 H GLY B 73 -25.251 -6.958 -16.752 1.00 0.00 H ATOM 1616 N THR B 74 -22.994 -3.929 -15.709 1.00 17.30 N ATOM 1617 CA THR B 74 -21.568 -3.925 -15.518 1.00 15.50 C ATOM 1618 C THR B 74 -21.215 -4.618 -14.219 1.00 14.47 C ATOM 1619 O THR B 74 -21.853 -4.418 -13.200 1.00 15.41 O ATOM 1620 CB THR B 74 -21.046 -2.480 -15.503 1.00 19.58 C ATOM 1621 OG1 THR B 74 -21.343 -1.824 -16.724 1.00 28.36 O ATOM 1622 CG2 THR B 74 -19.560 -2.394 -15.277 1.00 19.28 C ATOM 1623 HG1 THR B 74 -20.998 -0.897 -16.691 1.00 0.00 H ATOM 1624 H THR B 74 -23.536 -3.076 -15.462 1.00 0.00 H ATOM 1625 N VAL B 75 -20.170 -5.429 -14.287 1.00 12.56 N ATOM 1626 CA VAL B 75 -19.612 -6.127 -13.131 1.00 11.75 C ATOM 1627 C VAL B 75 -18.151 -5.854 -13.037 1.00 11.36 C ATOM 1628 O VAL B 75 -17.422 -6.015 -14.037 1.00 12.82 O ATOM 1629 CB VAL B 75 -19.937 -7.624 -13.169 1.00 12.59 C ATOM 1630 CG1 VAL B 75 -19.265 -8.360 -12.015 1.00 15.57 C ATOM 1631 CG2 VAL B 75 -21.460 -7.776 -13.153 1.00 14.59 C ATOM 1632 H VAL B 75 -19.722 -5.577 -15.214 1.00 0.00 H ATOM 1633 N LEU B 76 -17.658 -5.491 -11.832 1.00 11.12 N ATOM 1634 CA LEU B 76 -16.219 -5.404 -11.588 1.00 11.35 C ATOM 1635 C LEU B 76 -15.754 -6.679 -10.924 1.00 11.89 C ATOM 1636 O LEU B 76 -16.444 -7.212 -10.046 1.00 12.77 O ATOM 1637 CB LEU B 76 -15.913 -4.198 -10.668 1.00 12.33 C ATOM 1638 CG LEU B 76 -16.484 -2.859 -11.146 1.00 12.27 C ATOM 1639 CD1 LEU B 76 -16.149 -1.767 -10.123 1.00 13.11 C ATOM 1640 CD2 LEU B 76 -15.994 -2.528 -12.503 1.00 16.30 C ATOM 1641 H LEU B 76 -18.318 -5.268 -11.060 1.00 0.00 H ATOM 1642 N VAL B 77 -14.575 -7.191 -11.346 1.00 11.93 N ATOM 1643 CA VAL B 77 -14.053 -8.414 -10.759 1.00 12.35 C ATOM 1644 C VAL B 77 -12.701 -8.113 -10.145 1.00 12.42 C ATOM 1645 O VAL B 77 -11.811 -7.608 -10.830 1.00 14.00 O ATOM 1646 CB VAL B 77 -13.885 -9.509 -11.829 1.00 13.08 C ATOM 1647 CG1 VAL B 77 -13.316 -10.755 -11.158 1.00 15.64 C ATOM 1648 CG2 VAL B 77 -15.245 -9.792 -12.482 1.00 14.58 C ATOM 1649 H VAL B 77 -14.039 -6.707 -12.094 1.00 0.00 H ATOM 1650 N GLY B 78 -12.556 -8.395 -8.854 1.00 13.21 N ATOM 1651 CA GLY B 78 -11.279 -8.230 -8.198 1.00 16.43 C ATOM 1652 C GLY B 78 -11.389 -8.691 -6.751 1.00 15.41 C ATOM 1653 O GLY B 78 -12.479 -9.061 -6.304 1.00 15.89 O ATOM 1654 H GLY B 78 -13.372 -8.739 -8.309 1.00 0.00 H ATOM 1655 N PRO B 79 -10.277 -8.642 -5.994 1.00 17.16 N ATOM 1656 CA PRO B 79 -10.177 -9.354 -4.701 1.00 19.11 C ATOM 1657 C PRO B 79 -10.828 -8.638 -3.518 1.00 18.75 C ATOM 1658 O PRO B 79 -10.223 -8.456 -2.475 1.00 21.34 O ATOM 1659 CB PRO B 79 -8.662 -9.562 -4.557 1.00 22.34 C ATOM 1660 CG PRO B 79 -8.070 -8.387 -5.282 1.00 20.25 C ATOM 1661 CD PRO B 79 -8.957 -8.221 -6.524 1.00 18.91 C ATOM 1662 N THR B 80 -12.093 -8.240 -3.656 1.00 16.73 N ATOM 1663 CA THR B 80 -12.849 -7.634 -2.558 1.00 16.13 C ATOM 1664 C THR B 80 -13.032 -8.685 -1.464 1.00 17.32 C ATOM 1665 O THR B 80 -13.293 -9.839 -1.760 1.00 18.45 O ATOM 1666 CB THR B 80 -14.205 -7.151 -3.111 1.00 14.68 C ATOM 1667 OG1 THR B 80 -14.925 -6.631 -1.995 1.00 15.81 O ATOM 1668 CG2 THR B 80 -15.027 -8.210 -3.828 1.00 14.65 C ATOM 1669 HG1 THR B 80 -15.810 -6.305 -2.297 1.00 0.00 H ATOM 1670 H THR B 80 -12.560 -8.364 -4.577 1.00 0.00 H ATOM 1671 N PRO B 81 -13.023 -8.244 -0.184 1.00 18.85 N ATOM 1672 CA PRO B 81 -13.276 -9.149 0.948 1.00 21.68 C ATOM 1673 C PRO B 81 -14.702 -9.712 0.960 1.00 15.37 C ATOM 1674 O PRO B 81 -14.937 -10.771 1.530 1.00 19.02 O ATOM 1675 CB PRO B 81 -13.144 -8.206 2.171 1.00 28.75 C ATOM 1676 CG PRO B 81 -12.296 -7.124 1.689 1.00 31.38 C ATOM 1677 CD PRO B 81 -12.656 -6.871 0.253 1.00 23.59 C ATOM 1678 N VAL B 82 -15.644 -8.918 0.382 1.00 14.68 N ATOM 1679 CA VAL B 82 -17.063 -9.261 0.384 1.00 14.17 C ATOM 1680 C VAL B 82 -17.597 -8.877 -1.007 1.00 12.29 C ATOM 1681 O VAL B 82 -17.325 -7.763 -1.475 1.00 13.01 O ATOM 1682 CB VAL B 82 -17.789 -8.398 1.479 1.00 19.21 C ATOM 1683 CG1 VAL B 82 -19.265 -8.696 1.444 1.00 26.13 C ATOM 1684 CG2 VAL B 82 -17.238 -8.707 2.891 1.00 24.30 C ATOM 1685 H VAL B 82 -15.342 -8.035 -0.078 1.00 0.00 H ATOM 1686 N ASN B 83 -18.392 -9.754 -1.619 1.00 12.14 N ATOM 1687 CA ASN B 83 -19.007 -9.379 -2.894 1.00 11.10 C ATOM 1688 C ASN B 83 -20.114 -8.374 -2.604 1.00 10.05 C ATOM 1689 O ASN B 83 -20.837 -8.523 -1.604 1.00 11.38 O ATOM 1690 CB ASN B 83 -19.629 -10.612 -3.555 1.00 12.67 C ATOM 1691 CG ASN B 83 -18.574 -11.667 -3.862 1.00 12.79 C ATOM 1692 OD1 ASN B 83 -17.416 -11.338 -4.209 1.00 13.84 O ATOM 1693 ND2 ASN B 83 -18.957 -12.924 -3.672 1.00 14.54 N ATOM 1694 HD22 ASN B 83 -19.934 -13.132 -3.384 1.00 0.00 H ATOM 1695 HD21 ASN B 83 -18.280 -13.701 -3.811 1.00 0.00 H ATOM 1696 H ASN B 83 -18.572 -10.688 -1.199 1.00 0.00 H ATOM 1697 N VAL B 84 -20.283 -7.370 -3.463 1.00 9.98 N ATOM 1698 CA VAL B 84 -21.278 -6.338 -3.228 1.00 10.87 C ATOM 1699 C VAL B 84 -22.138 -6.116 -4.467 1.00 9.82 C ATOM 1700 O VAL B 84 -21.640 -6.077 -5.619 1.00 10.61 O ATOM 1701 CB VAL B 84 -20.681 -5.013 -2.726 1.00 13.49 C ATOM 1702 CG1 VAL B 84 -20.002 -5.181 -1.373 1.00 15.25 C ATOM 1703 CG2 VAL B 84 -19.748 -4.393 -3.734 1.00 16.28 C ATOM 1704 H VAL B 84 -19.692 -7.324 -4.317 1.00 0.00 H ATOM 1705 N ILE B 85 -23.440 -5.975 -4.228 1.00 10.76 N ATOM 1706 CA ILE B 85 -24.388 -5.524 -5.245 1.00 10.90 C ATOM 1707 C ILE B 85 -24.550 -4.030 -5.048 1.00 10.19 C ATOM 1708 O ILE B 85 -25.028 -3.590 -3.970 1.00 12.61 O ATOM 1709 CB ILE B 85 -25.750 -6.216 -5.111 1.00 11.33 C ATOM 1710 CG1 ILE B 85 -25.621 -7.729 -5.065 1.00 13.64 C ATOM 1711 CG2 ILE B 85 -26.723 -5.721 -6.156 1.00 12.84 C ATOM 1712 CD1 ILE B 85 -24.892 -8.315 -6.302 1.00 14.25 C ATOM 1713 H ILE B 85 -23.798 -6.195 -3.277 1.00 0.00 H ATOM 1714 N GLY B 86 -24.150 -3.250 -6.035 1.00 10.43 N ATOM 1715 CA GLY B 86 -24.211 -1.799 -5.930 1.00 11.29 C ATOM 1716 C GLY B 86 -25.473 -1.200 -6.502 1.00 9.90 C ATOM 1717 O GLY B 86 -26.359 -1.902 -6.985 1.00 10.85 O ATOM 1718 H GLY B 86 -23.783 -3.682 -6.907 1.00 0.00 H ATOM 1719 N ARG B 87 -25.508 0.140 -6.457 1.00 10.38 N ATOM 1720 CA ARG B 87 -26.702 0.852 -6.950 1.00 10.76 C ATOM 1721 C ARG B 87 -26.929 0.662 -8.437 1.00 10.85 C ATOM 1722 O ARG B 87 -28.074 0.731 -8.863 1.00 12.24 O ATOM 1723 CB ARG B 87 -26.594 2.330 -6.615 1.00 10.68 C ATOM 1724 CG ARG B 87 -26.620 2.593 -5.104 1.00 11.26 C ATOM 1725 CD ARG B 87 -26.654 4.079 -4.760 1.00 11.15 C ATOM 1726 NE ARG B 87 -25.530 4.826 -5.315 1.00 12.39 N ATOM 1727 CZ ARG B 87 -25.467 5.510 -6.465 1.00 12.73 C ATOM 1728 NH1 ARG B 87 -26.563 5.739 -7.192 1.00 13.26 N ATOM 1729 NH2 ARG B 87 -24.283 5.999 -6.825 1.00 14.95 N ATOM 1730 HE ARG B 87 -24.662 4.828 -4.741 1.00 0.00 H ATOM 1731 HH12 ARG B 87 -26.494 6.272 -8.082 1.00 0.00 H ATOM 1732 HH11 ARG B 87 -27.485 5.384 -6.868 1.00 0.00 H ATOM 1733 HH22 ARG B 87 -24.190 6.536 -7.711 1.00 0.00 H ATOM 1734 HH21 ARG B 87 -23.451 5.844 -6.221 1.00 0.00 H ATOM 1735 H ARG B 87 -24.700 0.673 -6.077 1.00 0.00 H ATOM 1736 N ASP B 88 -25.882 0.441 -9.214 1.00 11.31 N ATOM 1737 CA ASP B 88 -26.064 0.198 -10.632 1.00 13.12 C ATOM 1738 C ASP B 88 -26.910 -1.048 -10.885 1.00 14.40 C ATOM 1739 O ASP B 88 -27.646 -1.071 -11.852 1.00 22.43 O ATOM 1740 CB ASP B 88 -24.745 0.055 -11.346 1.00 16.41 C ATOM 1741 CG ASP B 88 -23.749 -0.952 -10.789 1.00 18.45 C ATOM 1742 OD1 ASP B 88 -24.031 -1.681 -9.763 1.00 17.23 O ATOM 1743 OD2 ASP B 88 -22.648 -1.047 -11.402 1.00 29.18 O ATOM 1744 H ASP B 88 -24.925 0.441 -8.807 1.00 0.00 H ATOM 1745 N THR B 89 -26.834 -2.106 -10.073 1.00 12.03 N ATOM 1746 CA THR B 89 -27.699 -3.260 -10.200 1.00 12.12 C ATOM 1747 C THR B 89 -29.025 -3.038 -9.459 1.00 11.19 C ATOM 1748 O THR B 89 -30.095 -3.375 -9.983 1.00 12.38 O ATOM 1749 CB THR B 89 -26.997 -4.491 -9.610 1.00 12.81 C ATOM 1750 OG1 THR B 89 -25.771 -4.693 -10.322 1.00 13.75 O ATOM 1751 CG2 THR B 89 -27.851 -5.730 -9.714 1.00 14.99 C ATOM 1752 HG1 THR B 89 -25.197 -3.893 -10.221 1.00 0.00 H ATOM 1753 H THR B 89 -26.121 -2.100 -9.316 1.00 0.00 H ATOM 1754 N MET B 90 -28.960 -2.430 -8.256 1.00 10.56 N ATOM 1755 CA MET B 90 -30.196 -2.319 -7.476 1.00 11.22 C ATOM 1756 C MET B 90 -31.228 -1.390 -8.155 1.00 10.80 C ATOM 1757 O MET B 90 -32.430 -1.618 -8.032 1.00 12.04 O ATOM 1758 CB MET B 90 -29.885 -1.797 -6.078 1.00 12.95 C ATOM 1759 CG MET B 90 -29.198 -2.921 -5.231 1.00 14.31 C ATOM 1760 SD MET B 90 -29.151 -2.564 -3.482 1.00 15.75 S ATOM 1761 CE MET B 90 -27.880 -1.366 -3.559 1.00 14.69 C ATOM 1762 H MET B 90 -28.061 -2.052 -7.894 1.00 0.00 H ATOM 1763 N THR B 91 -30.773 -0.348 -8.859 1.00 11.60 N ATOM 1764 CA THR B 91 -31.742 0.518 -9.578 1.00 12.30 C ATOM 1765 C THR B 91 -32.471 -0.288 -10.647 1.00 13.07 C ATOM 1766 O THR B 91 -33.594 0.087 -10.985 1.00 16.68 O ATOM 1767 CB THR B 91 -31.064 1.750 -10.204 1.00 12.90 C ATOM 1768 OG1 THR B 91 -29.972 1.374 -11.027 1.00 14.29 O ATOM 1769 CG2 THR B 91 -30.609 2.748 -9.159 1.00 13.39 C ATOM 1770 HG1 THR B 91 -30.296 0.788 -11.756 1.00 0.00 H ATOM 1771 H THR B 91 -29.754 -0.147 -8.902 1.00 0.00 H ATOM 1772 N GLN B 92 -31.839 -1.299 -11.247 1.00 13.14 N ATOM 1773 CA GLN B 92 -32.446 -2.089 -12.299 1.00 15.31 C ATOM 1774 C GLN B 92 -33.562 -2.944 -11.745 1.00 16.34 C ATOM 1775 O GLN B 92 -34.377 -3.429 -12.548 1.00 20.47 O ATOM 1776 CB GLN B 92 -31.429 -2.908 -13.090 1.00 16.39 C ATOM 1777 CG GLN B 92 -30.387 -2.029 -13.720 1.00 18.21 C ATOM 1778 CD GLN B 92 -29.676 -2.829 -14.762 1.00 25.84 C ATOM 1779 OE1 GLN B 92 -30.292 -3.134 -15.788 1.00 32.30 O ATOM 1780 NE2 GLN B 92 -28.405 -3.149 -14.536 1.00 28.50 N ATOM 1781 HE22 GLN B 92 -27.946 -2.860 -13.649 1.00 0.00 H ATOM 1782 HE21 GLN B 92 -27.870 -3.688 -15.247 1.00 0.00 H ATOM 1783 H GLN B 92 -30.870 -1.529 -10.947 1.00 0.00 H ATOM 1784 N ILE B 93 -33.617 -3.202 -10.430 1.00 15.52 N ATOM 1785 CA ILE B 93 -34.683 -4.019 -9.838 1.00 17.33 C ATOM 1786 C ILE B 93 -35.605 -3.139 -8.989 1.00 17.21 C ATOM 1787 O ILE B 93 -36.488 -3.647 -8.283 1.00 20.75 O ATOM 1788 CB ILE B 93 -34.146 -5.252 -9.074 1.00 17.60 C ATOM 1789 CG1 ILE B 93 -33.316 -4.843 -7.854 1.00 17.47 C ATOM 1790 CG2 ILE B 93 -33.357 -6.140 -10.043 1.00 21.41 C ATOM 1791 CD1 ILE B 93 -32.896 -6.047 -7.034 1.00 18.59 C ATOM 1792 H ILE B 93 -32.880 -2.810 -9.809 1.00 0.00 H ATOM 1793 N GLY B 94 -35.464 -1.799 -9.077 1.00 15.50 N ATOM 1794 CA GLY B 94 -36.385 -0.860 -8.452 1.00 16.94 C ATOM 1795 C GLY B 94 -36.248 -0.812 -6.936 1.00 14.87 C ATOM 1796 O GLY B 94 -37.205 -0.524 -6.244 1.00 18.69 O ATOM 1797 H GLY B 94 -34.660 -1.420 -9.616 1.00 0.00 H ATOM 1798 N ALA B 95 -35.063 -1.112 -6.418 1.00 14.95 N ATOM 1799 CA ALA B 95 -34.912 -1.184 -4.953 1.00 13.90 C ATOM 1800 C ALA B 95 -35.058 0.192 -4.314 1.00 14.25 C ATOM 1801 O ALA B 95 -34.673 1.225 -4.877 1.00 16.02 O ATOM 1802 CB ALA B 95 -33.521 -1.684 -4.628 1.00 14.30 C ATOM 1803 H ALA B 95 -34.249 -1.294 -7.039 1.00 0.00 H ATOM 1804 N THR B 96 -35.631 0.205 -3.100 1.00 13.19 N ATOM 1805 CA THR B 96 -35.821 1.438 -2.360 1.00 13.75 C ATOM 1806 C THR B 96 -35.360 1.183 -0.915 1.00 12.46 C ATOM 1807 O THR B 96 -35.386 0.085 -0.396 1.00 14.04 O ATOM 1808 CB THR B 96 -37.277 1.966 -2.367 1.00 15.40 C ATOM 1809 OG1 THR B 96 -38.093 0.920 -1.849 1.00 17.32 O ATOM 1810 CG2 THR B 96 -37.763 2.382 -3.737 1.00 18.35 C ATOM 1811 HG1 THR B 96 -39.038 1.216 -1.835 1.00 0.00 H ATOM 1812 H THR B 96 -35.947 -0.692 -2.679 1.00 0.00 H ATOM 1813 N LEU B 97 -35.030 2.274 -0.249 1.00 12.92 N ATOM 1814 CA LEU B 97 -34.767 2.260 1.182 1.00 12.96 C ATOM 1815 C LEU B 97 -35.829 3.107 1.875 1.00 12.89 C ATOM 1816 O LEU B 97 -36.200 4.197 1.436 1.00 15.28 O ATOM 1817 CB LEU B 97 -33.369 2.851 1.359 1.00 14.87 C ATOM 1818 CG LEU B 97 -32.746 2.774 2.737 1.00 14.18 C ATOM 1819 CD1 LEU B 97 -32.373 1.321 3.098 1.00 15.16 C ATOM 1820 CD2 LEU B 97 -31.459 3.611 2.746 1.00 17.93 C ATOM 1821 H LEU B 97 -34.955 3.174 -0.765 1.00 0.00 H ATOM 1822 N ASN B 98 -36.442 2.507 2.899 1.00 13.77 N ATOM 1823 CA ASN B 98 -37.335 3.235 3.791 1.00 14.86 C ATOM 1824 C ASN B 98 -36.535 3.536 5.057 1.00 15.49 C ATOM 1825 O ASN B 98 -35.787 2.684 5.564 1.00 14.83 O ATOM 1826 CB ASN B 98 -38.633 2.462 4.110 1.00 18.01 C ATOM 1827 CG ASN B 98 -39.709 2.613 3.048 1.00 18.68 C ATOM 1828 OD1 ASN B 98 -39.604 2.027 1.983 1.00 20.27 O ATOM 1829 ND2 ASN B 98 -40.745 3.412 3.301 1.00 23.01 N ATOM 1830 HD22 ASN B 98 -40.813 3.901 4.216 1.00 0.00 H ATOM 1831 HD21 ASN B 98 -41.485 3.546 2.583 1.00 0.00 H ATOM 1832 H ASN B 98 -36.278 1.493 3.064 1.00 0.00 H ATOM 1833 N PHE B 99 -36.742 4.759 5.594 1.00 18.69 N ATOM 1834 CA PHE B 99 -36.100 5.130 6.865 1.00 20.21 C ATOM 1835 C PHE B 99 -36.865 6.268 7.525 1.00 25.97 C ATOM 1836 O PHE B 99 -37.939 6.613 7.002 1.00 28.14 O ATOM 1837 CB PHE B 99 -34.619 5.462 6.651 1.00 22.38 C ATOM 1838 CG PHE B 99 -34.342 6.645 5.769 1.00 20.97 C ATOM 1839 CD1 PHE B 99 -34.435 6.543 4.373 1.00 20.98 C ATOM 1840 CD2 PHE B 99 -33.978 7.871 6.305 1.00 24.21 C ATOM 1841 CE1 PHE B 99 -34.234 7.653 3.572 1.00 24.67 C ATOM 1842 CE2 PHE B 99 -33.781 8.972 5.482 1.00 22.92 C ATOM 1843 CZ PHE B 99 -33.868 8.854 4.127 1.00 25.53 C ATOM 1844 OXT PHE B 99 -36.374 6.744 8.585 1.00 28.89 O ATOM 1845 H PHE B 99 -37.358 5.441 5.107 1.00 0.00 H TER 1846 PHE B 99 HETATM 1847 O HOH 1 -14.426 -1.446 17.943 1.00 74.52 O HETATM 1848 O HOH 2 -15.933 -2.806 15.274 1.00 87.50 O HETATM 1849 O HOH 3 -34.985 11.923 -6.491 1.00 40.02 O HETATM 1850 O HOH 4 -10.823 -4.842 -1.129 1.00 30.87 O HETATM 1851 O HOH 5 -10.709 0.059 1.734 1.00 16.57 O HETATM 1852 O HOH 6 -18.637 0.314 16.029 1.00 26.83 O HETATM 1853 O HOH 7 -19.494 7.466 -2.213 1.00 34.44 O HETATM 1854 O HOH 8 -18.788 8.627 23.870 1.00 30.37 O HETATM 1855 O HOH 9 -22.355 -0.478 16.861 1.00 28.48 O HETATM 1856 O HOH 10 -9.547 -5.156 3.181 1.00 24.42 O HETATM 1857 O HOH 11 -20.472 2.565 14.863 1.00 23.43 O HETATM 1858 O HOH 12 -27.456 15.114 2.866 1.00 26.06 O HETATM 1859 O HOH 13 -12.984 -3.991 14.348 1.00 32.00 O HETATM 1860 O HOH 14 -21.887 18.785 3.376 1.00 34.66 O HETATM 1861 O HOH 15 -37.775 5.752 10.799 1.00 29.61 O HETATM 1862 O HOH 16 -5.352 -0.223 -1.170 1.00 36.85 O HETATM 1863 O HOH 17 -16.322 11.987 -0.227 1.00 33.57 O HETATM 1864 O HOH 18 -40.310 0.091 6.162 1.00 20.23 O HETATM 1865 O HOH 19 -30.793 17.249 13.313 1.00 27.78 O HETATM 1866 O HOH 20 -33.632 -2.448 10.283 1.00 14.80 O HETATM 1867 O HOH 21 -16.636 19.090 13.099 1.00 28.17 O HETATM 1868 O HOH 22 -20.062 -4.048 14.727 1.00 35.98 O HETATM 1869 O HOH 23 -18.888 16.718 20.080 1.00 16.26 O HETATM 1870 O HOH 24 -12.125 12.276 23.072 1.00 19.75 O HETATM 1871 O HOH 25 -24.733 22.106 17.657 1.00 62.42 O HETATM 1872 O HOH 26 -30.808 5.211 20.806 1.00 31.90 O HETATM 1873 O HOH 27 -9.639 9.117 14.841 1.00 35.07 O HETATM 1874 O HOH 28 -30.680 7.763 -2.996 1.00 19.57 O HETATM 1875 O HOH 29 -16.629 9.127 25.288 1.00 15.74 O HETATM 1876 O HOH 30 -8.680 -2.599 20.136 1.00 25.89 O HETATM 1877 O HOH 31 -31.388 12.681 8.303 1.00 25.90 O HETATM 1878 O HOH 32 -16.558 14.733 7.560 1.00 25.59 O HETATM 1879 O HOH 33 -24.736 3.782 15.992 1.00 24.05 O HETATM 1880 O HOH 34 -23.938 -4.901 6.231 1.00 15.16 O HETATM 1881 O HOH 35 -9.981 -2.455 26.706 1.00 25.30 O HETATM 1882 O HOH 36 -31.195 10.354 0.879 1.00 33.16 O HETATM 1883 O HOH 37 -17.802 5.487 -3.092 1.00 35.27 O HETATM 1884 O HOH 38 -39.071 0.615 7.403 1.00 23.87 O HETATM 1885 O HOH 39 -27.416 -0.532 17.491 1.00 23.02 O HETATM 1886 O HOH 40 -10.202 -5.478 4.302 1.00 31.37 O HETATM 1887 O HOH 41 -14.444 21.034 18.998 1.00 21.90 O HETATM 1888 O HOH 42 -37.774 15.037 15.741 1.00 46.08 O HETATM 1889 O HOH 43 -24.107 -3.581 12.957 1.00 26.17 O HETATM 1890 O HOH 44 -22.650 22.660 14.781 1.00 30.61 O HETATM 1891 O HOH 45 -15.507 2.877 23.218 1.00 20.76 O HETATM 1892 O HOH 46 -37.683 10.700 -1.417 1.00 50.74 O HETATM 1893 O HOH 47 -29.371 12.273 -1.013 1.00 31.07 O HETATM 1894 O HOH 48 -11.475 13.647 13.872 1.00 40.99 O HETATM 1895 O HOH 49 -41.546 1.961 -4.303 1.00 33.62 O HETATM 1896 O HOH 50 -18.420 11.034 22.837 1.00 23.59 O HETATM 1897 O HOH 51 -16.720 5.748 24.544 1.00 27.19 O HETATM 1898 O HOH 52 -21.260 -5.454 6.167 1.00 20.07 O HETATM 1899 O HOH 53 -12.664 13.071 18.880 1.00 28.74 O HETATM 1900 O HOH 54 -32.634 8.513 -6.179 1.00 19.11 O HETATM 1901 O HOH 55 -10.276 -3.795 15.630 1.00 34.91 O HETATM 1902 O HOH 56 -20.059 -6.025 13.058 1.00 36.49 O HETATM 1903 O HOH 57 -30.536 -1.066 17.094 1.00 29.34 O HETATM 1904 O HOH 58 -13.484 -4.923 9.769 1.00 30.48 O HETATM 1905 O HOH 59 -28.252 6.667 -11.671 1.00 22.02 O HETATM 1906 O HOH 60 -25.216 10.682 -6.678 1.00 64.22 O HETATM 1907 O HOH 61 -25.802 15.565 17.941 1.00 16.85 O HETATM 1908 O HOH 62 -19.743 12.155 3.655 1.00 13.98 O HETATM 1909 O HOH 63 -21.164 21.728 12.487 1.00 22.50 O HETATM 1910 O HOH 64 -29.848 11.908 20.290 1.00 23.47 O HETATM 1911 O HOH 65 -15.630 11.717 4.949 1.00 26.23 O HETATM 1912 O HOH 66 -6.007 4.728 8.763 1.00 34.59 O HETATM 1913 O HOH 67 -15.553 -1.186 22.916 1.00 21.26 O HETATM 1914 O HOH 68 -33.258 14.951 11.568 1.00 39.34 O HETATM 1915 O HOH 69 -15.780 9.270 28.990 1.00 36.20 O HETATM 1916 O HOH 70 -31.314 14.298 4.760 1.00 23.17 O HETATM 1917 O HOH 71 -35.563 9.134 -3.939 1.00 17.33 O HETATM 1918 O HOH 72 -24.816 1.694 17.908 1.00 39.51 O HETATM 1919 O HOH 73 -41.870 8.615 1.362 1.00 55.11 O HETATM 1920 O HOH 74 -17.748 -1.011 24.816 1.00 19.41 O HETATM 1921 O HOH 75 -30.716 15.510 11.140 1.00 30.37 O HETATM 1922 O HOH 76 -19.569 -1.543 17.600 1.00 39.25 O HETATM 1923 O HOH 77 -19.766 16.124 5.896 1.00 14.91 O HETATM 1924 O HOH 78 -33.457 14.544 14.026 1.00 43.67 O HETATM 1925 O HOH 79 -40.594 -5.184 -2.384 1.00 34.43 O HETATM 1926 O HOH 80 -33.085 10.165 -3.840 1.00 31.42 O HETATM 1927 O HOH 81 -17.803 -4.901 16.563 1.00 36.94 O HETATM 1928 O HOH 82 -9.258 11.206 11.280 1.00 20.68 O HETATM 1929 O HOH 83 -27.425 4.936 -11.024 1.00 38.13 O HETATM 1930 O HOH 84 -26.151 -3.554 14.433 1.00 33.81 O HETATM 1931 O HOH 85 -10.379 11.711 16.325 1.00 33.64 O HETATM 1932 O HOH 86 -27.364 -4.589 13.877 1.00 31.28 O HETATM 1933 O HOH 87 -20.687 15.561 22.040 1.00 17.12 O HETATM 1934 O HOH 88 -31.247 10.157 -1.924 1.00 25.44 O HETATM 1935 O HOH 89 -14.487 3.611 25.836 1.00 32.15 O HETATM 1936 O HOH 90 -34.539 18.564 15.317 1.00 36.78 O HETATM 1937 O HOH 91 -21.981 21.497 2.572 1.00 23.01 O HETATM 1938 O HOH 92 -13.128 12.436 29.766 1.00 40.60 O HETATM 1939 O HOH 93 -40.244 3.007 -6.426 1.00 32.52 O HETATM 1940 O HOH 94 -20.773 12.439 22.518 1.00 34.58 O HETATM 1941 O HOH 95 -33.550 12.869 5.973 1.00 23.77 O HETATM 1942 O HOH 96 -18.371 21.125 11.960 1.00 30.79 O HETATM 1943 O HOH 97 -33.676 11.847 2.145 1.00 39.87 O HETATM 1944 O HOH 98 -36.802 17.445 15.471 1.00 44.20 O HETATM 1945 O HOH 99 -14.247 7.506 -2.240 1.00 45.39 O HETATM 1946 O HOH 100 -36.169 12.180 1.750 1.00 40.47 O HETATM 1947 O HOH 101 -15.270 3.379 -12.120 1.00 36.98 O HETATM 1948 O HOH 102 -19.471 -7.385 5.412 1.00 34.27 O HETATM 1949 O HOH 103 -4.923 0.343 1.880 1.00 91.43 O HETATM 1950 O HOH 104 -27.162 -8.567 13.655 1.00 36.18 O HETATM 1951 O HOH 105 -25.768 -10.338 9.461 1.00 65.40 O HETATM 1952 O HOH 106 -9.717 5.200 -0.283 1.00 40.46 O HETATM 1953 O HOH 107 -40.698 4.946 5.229 1.00 39.43 O HETATM 1954 O HOH 108 -18.761 -8.621 -20.661 1.00 31.34 O HETATM 1955 O HOH 109 -41.251 -8.531 1.523 1.00 74.98 O HETATM 1956 O HOH 110 -27.452 -15.101 0.393 1.00 26.13 O HETATM 1957 O HOH 111 -14.620 -0.003 1.625 1.00 14.69 O HETATM 1958 O HOH 112 -40.225 -0.133 -2.928 1.00 21.62 O HETATM 1959 O HOH 113 -20.516 -2.538 -11.645 1.00 23.76 O HETATM 1960 O HOH 114 -15.911 -1.596 -19.868 1.00 21.94 O HETATM 1961 O HOH 115 -14.389 2.341 -22.182 1.00 29.02 O HETATM 1962 O HOH 116 -22.332 0.457 -13.577 1.00 39.62 O HETATM 1963 O HOH 117 -16.629 -19.115 -9.900 1.00 28.20 O HETATM 1964 O HOH 118 -37.712 8.915 9.380 1.00 29.95 O HETATM 1965 O HOH 119 -29.376 1.616 -13.622 1.00 23.72 O HETATM 1966 O HOH 120 -41.491 -1.996 7.506 1.00 37.50 O HETATM 1967 O HOH 121 -33.636 2.456 -7.031 1.00 14.63 O HETATM 1968 O HOH 122 -5.247 0.163 4.664 1.00 42.99 O HETATM 1969 O HOH 123 -15.515 1.100 -19.841 1.00 18.48 O HETATM 1970 O HOH 124 -30.757 -5.154 -17.557 1.00 32.05 O HETATM 1971 O HOH 125 -26.740 -12.266 6.781 1.00 37.03 O HETATM 1972 O HOH 126 -31.391 -12.729 -5.054 1.00 26.01 O HETATM 1973 O HOH 127 -19.619 3.454 -3.697 1.00 14.85 O HETATM 1974 O HOH 128 -12.123 -12.287 -19.852 1.00 20.02 O HETATM 1975 O HOH 129 -9.616 -9.088 -11.613 1.00 34.98 O HETATM 1976 O HOH 130 -30.679 -7.759 6.216 1.00 18.66 O HETATM 1977 O HOH 131 -16.578 -14.762 -4.347 1.00 26.26 O HETATM 1978 O HOH 132 -16.638 -9.151 -22.089 1.00 16.48 O HETATM 1979 O HOH 133 -19.512 -16.409 -17.487 1.00 16.84 O HETATM 1980 O HOH 134 -11.509 -13.627 -10.724 1.00 49.10 O HETATM 1981 O HOH 135 -24.726 -3.772 -12.739 1.00 23.76 O HETATM 1982 O HOH 136 -23.929 4.915 -2.977 1.00 14.84 O HETATM 1983 O HOH 137 -15.432 -3.028 -20.100 1.00 26.25 O HETATM 1984 O HOH 138 -30.777 -17.183 -10.009 1.00 27.87 O HETATM 1985 O HOH 139 -24.825 -22.109 -14.453 1.00 49.88 O HETATM 1986 O HOH 140 -9.726 -16.802 -3.369 1.00 93.75 O HETATM 1987 O HOH 141 -13.458 4.860 -6.609 1.00 29.72 O HETATM 1988 O HOH 142 -9.951 2.410 -23.236 1.00 44.63 O HETATM 1989 O HOH 143 -24.088 3.593 -9.748 1.00 25.45 O HETATM 1990 O HOH 144 -15.266 -9.486 -25.891 1.00 57.12 O HETATM 1991 O HOH 145 -31.244 -10.363 2.366 1.00 34.30 O HETATM 1992 O HOH 146 -29.400 -12.247 4.234 1.00 30.98 O HETATM 1993 O HOH 147 -28.230 -6.783 14.833 1.00 22.70 O HETATM 1994 O HOH 148 -21.253 5.433 -2.930 1.00 19.12 O HETATM 1995 O HOH 149 -26.169 5.988 -10.018 1.00 28.73 O HETATM 1996 O HOH 150 -32.633 -8.517 9.441 1.00 19.22 O HETATM 1997 O HOH 151 -18.435 -11.006 -19.621 1.00 23.89 O HETATM 1998 O HOH 152 -23.236 -2.967 -19.112 1.00 38.11 O HETATM 1999 O HOH 153 -12.867 -16.111 -18.688 1.00 31.87 O HETATM 2000 O HOH 154 -16.771 -5.777 -21.309 1.00 27.02 O HETATM 2001 O HOH 155 -30.690 0.933 -13.797 1.00 32.64 O HETATM 2002 O HOH 156 -13.117 -12.942 0.893 1.00 40.67 O HETATM 2003 O HOH 157 -6.036 -4.685 -5.611 1.00 34.79 O HETATM 2004 O HOH 158 -20.015 6.052 -9.843 1.00 34.36 O HETATM 2005 O HOH 159 -12.635 -13.064 -15.583 1.00 30.59 O HETATM 2006 O HOH 160 -7.856 -4.853 -21.146 1.00 47.58 O HETATM 2007 O HOH 161 -27.294 0.464 -14.305 1.00 23.07 O HETATM 2008 O HOH 162 -10.018 -6.917 -23.163 1.00 22.83 O HETATM 2009 O HOH 163 -19.745 -12.133 -0.414 1.00 14.19 O HETATM 2010 O HOH 164 -15.602 -11.728 -1.767 1.00 25.71 O HETATM 2011 O HOH 165 -25.819 -15.590 -14.748 1.00 23.38 O HETATM 2012 O HOH 166 -37.925 -10.786 4.921 1.00 67.45 O HETATM 2013 O HOH 167 -21.122 -21.715 -9.231 1.00 21.88 O HETATM 2014 O HOH 168 -33.231 -14.870 -8.412 1.00 37.13 O HETATM 2015 O HOH 169 -31.299 -14.295 -1.538 1.00 22.74 O HETATM 2016 O HOH 170 -24.773 -1.690 -14.703 1.00 39.17 O HETATM 2017 O HOH 171 -35.571 -9.121 7.162 1.00 17.52 O HETATM 2018 O HOH 172 -33.444 -14.411 -10.829 1.00 40.10 O HETATM 2019 O HOH 173 -41.268 -9.500 1.937 1.00 79.05 O HETATM 2020 O HOH 174 -30.690 -15.553 -7.948 1.00 30.80 O HETATM 2021 O HOH 175 -19.810 -16.029 -2.630 1.00 14.42 O HETATM 2022 O HOH 176 -27.544 -6.062 14.734 1.00 37.74 O HETATM 2023 O HOH 177 -15.805 -6.821 8.211 1.00 45.20 O HETATM 2024 O HOH 178 -19.572 1.538 -14.415 1.00 24.21 O HETATM 2025 O HOH 179 -14.663 -19.891 -16.323 1.00 14.46 O HETATM 2026 O HOH 180 -24.400 8.179 -9.344 1.00 55.11 O HETATM 2027 O HOH 181 -27.976 1.588 -13.961 1.00 47.24 O HETATM 2028 O HOH 182 -10.260 -11.666 -13.131 1.00 41.85 O HETATM 2029 O HOH 183 -26.282 3.523 -11.148 1.00 37.63 O HETATM 2030 O HOH 184 -23.624 -12.310 7.684 1.00 39.92 O HETATM 2031 O HOH 185 -43.322 -5.057 1.871 1.00 40.16 O HETATM 2032 O HOH 186 -31.233 -10.133 5.151 1.00 25.46 O HETATM 2033 O HOH 187 -23.294 -16.486 -18.689 1.00 43.30 O HETATM 2034 O HOH 188 -12.547 -18.339 -17.770 1.00 23.32 O HETATM 2035 O HOH 189 -14.498 -3.620 -22.636 1.00 33.37 O HETATM 2036 O HOH 190 -33.076 -10.158 7.107 1.00 32.47 O HETATM 2037 O HOH 191 -21.476 -14.994 -19.034 1.00 16.86 O HETATM 2038 O HOH 192 -16.544 3.178 -22.901 1.00 38.55 O HETATM 2039 O HOH 193 -33.568 -12.841 -2.741 1.00 24.34 O HETATM 2040 O HOH 194 -20.793 -12.503 -19.306 1.00 32.62 O HETATM 2041 O HOH 195 -14.186 5.587 -4.318 1.00 39.40 O HETATM 2042 O HOH 196 -18.345 -21.089 -8.733 1.00 31.65 O HETATM 2043 O HOH 197 -8.523 0.701 -21.164 1.00 40.29 O HETATM 2044 O HOH 198 -18.660 8.012 -10.818 1.00 54.02 O HETATM 2045 O HOH 199 -10.685 7.693 -1.697 1.00 31.28 O HETATM 2046 O HOH 200 -22.330 -14.054 9.703 1.00 40.59 O HETATM 2047 O HOH 201 -31.796 3.324 -17.015 1.00 39.44 O HETATM 2048 C06 MOL A 202 -18.239 -4.487 3.422 1.00 -0.03 C HETATM 2049 C07 MOL A 202 -17.901 -3.745 2.293 1.00 -0.04 C HETATM 2050 C08 MOL A 202 -16.607 -3.844 1.789 1.00 -0.03 C HETATM 2051 C34 MOL A 202 -15.714 -4.694 2.393 1.00 0.12 C HETATM 2052 C35 MOL A 202 -15.997 -5.384 3.539 1.00 -0.00 C HETATM 2053 C33 MOL A 202 -17.292 -5.297 3.994 1.00 0.12 C HETATM 2054 F1 MOL A 202 -17.620 -6.033 5.091 1.00 -0.19 F HETATM 2055 H25 MOL A 202 -15.244 -5.966 4.059 1.00 0.05 H HETATM 2056 F2 MOL A 202 -14.462 -4.774 1.881 1.00 -0.19 F HETATM 2057 H2 MOL A 202 -16.308 -3.256 0.929 1.00 0.05 H HETATM 2058 C32 MOL A 202 -18.899 -2.764 1.699 1.00 0.00 C HETATM 2059 C19 MOL A 202 -18.512 -1.347 2.151 1.00 0.08 C HETATM 2060 C17 MOL A 202 -19.433 -0.248 1.593 1.00 0.10 C HETATM 2061 C16 MOL A 202 -19.254 0.069 0.120 1.00 0.06 C HETATM 2062 N11 MOL A 202 -17.960 0.716 -0.124 1.00 -0.23 N HETATM 2063 C12 MOL A 202 -17.964 2.193 -0.221 1.00 0.03 C HETATM 2064 C13 MOL A 202 -18.214 2.972 1.066 1.00 -0.03 C HETATM 2065 C14 MOL A 202 -17.119 2.728 2.111 1.00 -0.06 C HETATM 2066 H10 MOL A 202 -17.342 3.309 3.018 1.00 0.02 H HETATM 2067 H11 MOL A 202 -16.147 3.043 1.704 1.00 0.02 H HETATM 2068 H12 MOL A 202 -17.082 1.657 2.361 1.00 0.02 H HETATM 2069 C15 MOL A 202 -18.261 4.447 0.726 1.00 -0.06 C HETATM 2070 H13 MOL A 202 -19.046 4.626 -0.024 1.00 0.02 H HETATM 2071 H14 MOL A 202 -17.288 4.761 0.320 1.00 0.02 H HETATM 2072 H15 MOL A 202 -18.483 5.026 1.635 1.00 0.02 H HETATM 2073 H9 MOL A 202 -19.181 2.662 1.489 1.00 0.03 H HETATM 2074 H7 MOL A 202 -16.983 2.502 -0.611 1.00 0.05 H HETATM 2075 H8 MOL A 202 -18.749 2.476 -0.938 1.00 0.05 H HETATM 2076 S8 MOL A 202 -16.847 -0.080 -0.980 1.00 0.07 S HETATM 2077 C5 MOL A 202 -17.170 0.212 -2.692 1.00 0.10 C HETATM 2078 C4 MOL A 202 -18.113 -0.567 -3.343 1.00 -0.05 C HETATM 2079 C3 MOL A 202 -18.474 -0.287 -4.650 1.00 -0.06 C HETATM 2080 C2 MOL A 202 -17.888 0.806 -5.296 1.00 0.01 C HETATM 2081 C39 MOL A 202 -16.926 1.575 -4.632 1.00 0.05 C HETATM 2082 C6 MOL A 202 -16.613 1.318 -3.301 1.00 -0.03 C HETATM 2083 H31 MOL A 202 -15.945 1.973 -2.753 1.00 0.06 H HETATM 2084 S1 MOL A 202 -16.395 2.891 -5.626 1.00 0.03 S HETATM 2085 C1 MOL A 202 -17.422 2.236 -6.915 1.00 0.19 C HETATM 2086 N1 MOL A 202 -18.134 1.185 -6.609 1.00 -0.31 N HETATM 2087 N2 MOL A 202 -17.503 2.807 -8.133 1.00 -0.28 N HETATM 2088 C79 MOL A 202 -16.368 3.113 -8.973 1.00 0.05 C HETATM 2089 C29 MOL A 202 -16.485 4.340 -9.803 1.00 -0.03 C HETATM 2090 C36 MOL A 202 -15.519 4.286 -8.664 1.00 -0.03 C HETATM 2091 H26 MOL A 202 -15.706 4.877 -7.755 1.00 0.03 H HETATM 2092 H27 MOL A 202 -14.437 4.250 -8.861 1.00 0.03 H HETATM 2093 H20 MOL A 202 -16.116 4.342 -10.839 1.00 0.03 H HETATM 2094 H21 MOL A 202 -17.385 4.969 -9.733 1.00 0.03 H HETATM 2095 H34 MOL A 202 -15.918 2.191 -9.370 1.00 0.06 H HETATM 2096 H38 MOL A 202 -18.440 3.042 -8.490 1.00 0.19 H HETATM 2097 H22 MOL A 202 -19.200 -0.906 -5.165 1.00 0.05 H HETATM 2098 H28 MOL A 202 -18.571 -1.402 -2.825 1.00 0.06 H HETATM 2099 O10 MOL A 202 -15.577 0.505 -0.671 1.00 -0.15 O HETATM 2100 O9 MOL A 202 -17.058 -1.472 -0.703 1.00 -0.15 O HETATM 2101 H16 MOL A 202 -20.060 0.744 -0.204 1.00 0.05 H HETATM 2102 H17 MOL A 202 -19.304 -0.866 -0.458 1.00 0.05 H HETATM 2103 O18 MOL A 202 -20.814 -0.606 1.880 1.00 -0.39 O HETATM 2104 H40 MOL A 202 -21.017 -1.438 1.468 1.00 0.21 H HETATM 2105 H18 MOL A 202 -19.201 0.676 2.143 1.00 0.06 H HETATM 2106 N20 MOL A 202 -18.546 -1.339 3.617 1.00 -0.26 N HETATM 2107 C21 MOL A 202 -17.433 -1.191 4.343 1.00 0.32 C HETATM 2108 O22 MOL A 202 -16.320 -0.912 3.931 1.00 -0.38 O HETATM 2109 O23 MOL A 202 -17.724 -1.445 5.638 1.00 -0.26 O HETATM 2110 C49 MOL A 202 -16.597 -1.539 6.547 1.00 0.10 C HETATM 2111 C59 MOL A 202 -16.631 -2.902 7.300 1.00 0.02 C HETATM 2112 C11 MOL A 202 -17.942 -3.660 7.270 1.00 0.06 C HETATM 2113 O2 MOL A 202 -18.759 -3.029 8.265 1.00 -0.35 O HETATM 2114 C7 MOL A 202 -17.955 -2.409 9.252 1.00 0.16 C HETATM 2115 C69 MOL A 202 -16.491 -2.559 8.799 1.00 0.02 C HETATM 2116 C10 MOL A 202 -15.843 -1.172 8.734 1.00 -0.04 C HETATM 2117 C9 MOL A 202 -16.694 -0.482 7.659 1.00 0.01 C HETATM 2118 C8 MOL A 202 -18.087 -0.239 8.226 1.00 0.06 C HETATM 2119 O1 MOL A 202 -18.362 -1.057 9.373 1.00 -0.35 O HETATM 2120 H35 MOL A 202 -18.830 -0.463 7.446 1.00 0.06 H HETATM 2121 H36 MOL A 202 -18.170 0.818 8.518 1.00 0.06 H HETATM 2122 H37 MOL A 202 -16.264 0.476 7.331 1.00 0.04 H HETATM 2123 H3 MOL A 202 -14.788 -1.236 8.430 1.00 0.03 H HETATM 2124 H4 MOL A 202 -15.916 -0.650 9.699 1.00 0.03 H HETATM 2125 H32 MOL A 202 -15.920 -3.288 9.393 1.00 0.04 H HETATM 2126 H33 MOL A 202 -18.088 -2.911 10.222 1.00 0.09 H HETATM 2127 H5 MOL A 202 -17.782 -4.720 7.517 1.00 0.06 H HETATM 2128 H6 MOL A 202 -18.411 -3.582 6.278 1.00 0.06 H HETATM 2129 H30 MOL A 202 -15.813 -3.542 6.937 1.00 0.04 H HETATM 2130 H29 MOL A 202 -15.659 -1.425 5.984 1.00 0.07 H HETATM 2131 H39 MOL A 202 -19.423 -1.447 4.085 1.00 0.19 H HETATM 2132 H19 MOL A 202 -17.488 -1.137 1.810 1.00 0.06 H HETATM 2133 H23 MOL A 202 -19.912 -3.004 2.054 1.00 0.04 H HETATM 2134 H24 MOL A 202 -18.871 -2.825 0.601 1.00 0.04 H HETATM 2135 H1 MOL A 202 -19.236 -4.425 3.842 1.00 0.05 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 924 925 930 931 932 CONECT 931 924 CONECT 932 924 CONECT 2048 2049 2053 2135 CONECT 2049 2048 2050 2058 CONECT 2050 2049 2051 2057 CONECT 2051 2050 2052 2056 CONECT 2052 2051 2053 2055 CONECT 2053 2048 2052 2054 CONECT 2054 2053 CONECT 2055 2052 CONECT 2056 2051 CONECT 2057 2050 CONECT 2058 2049 2059 2133 2134 CONECT 2059 2058 2060 2106 2132 CONECT 2060 2059 2061 2103 2105 CONECT 2061 2060 2062 2101 2102 CONECT 2062 2061 2063 2076 CONECT 2063 2062 2064 2074 2075 CONECT 2064 2063 2065 2069 2073 CONECT 2065 2064 2066 2067 2068 CONECT 2066 2065 CONECT 2067 2065 CONECT 2068 2065 CONECT 2069 2064 2070 2071 2072 CONECT 2070 2069 CONECT 2071 2069 CONECT 2072 2069 CONECT 2073 2064 CONECT 2074 2063 CONECT 2075 2063 CONECT 2076 2062 2077 2099 2100 CONECT 2077 2076 2078 2082 CONECT 2078 2077 2079 2098 CONECT 2079 2078 2080 2097 CONECT 2080 2079 2081 2086 CONECT 2081 2080 2082 2084 CONECT 2082 2077 2081 2083 CONECT 2083 2082 CONECT 2084 2081 2085 CONECT 2085 2084 2086 2087 CONECT 2086 2080 2085 CONECT 2087 2085 2088 2096 CONECT 2088 2087 2089 2090 2095 CONECT 2089 2088 2090 2093 2094 CONECT 2090 2088 2089 2091 2092 CONECT 2091 2090 CONECT 2092 2090 CONECT 2093 2089 CONECT 2094 2089 CONECT 2095 2088 CONECT 2096 2087 CONECT 2097 2079 CONECT 2098 2078 CONECT 2099 2076 CONECT 2100 2076 CONECT 2101 2061 CONECT 2102 2061 CONECT 2103 2060 2104 CONECT 2104 2103 CONECT 2105 2060 CONECT 2106 2059 2107 2131 CONECT 2107 2106 2108 2109 CONECT 2108 2107 CONECT 2109 2107 2110 CONECT 2110 2109 2111 2117 2130 CONECT 2111 2110 2112 2115 2129 CONECT 2112 2111 2113 2127 2128 CONECT 2113 2112 2114 CONECT 2114 2113 2115 2119 2126 CONECT 2115 2111 2114 2116 2125 CONECT 2116 2115 2117 2123 2124 CONECT 2117 2110 2116 2118 2122 CONECT 2118 2117 2119 2120 2121 CONECT 2119 2114 2118 CONECT 2120 2118 CONECT 2121 2118 CONECT 2122 2117 CONECT 2123 2116 CONECT 2124 2116 CONECT 2125 2115 CONECT 2126 2114 CONECT 2127 2112 CONECT 2128 2112 CONECT 2129 2111 CONECT 2130 2110 CONECT 2131 2106 CONECT 2132 2059 CONECT 2133 2058 CONECT 2134 2058 CONECT 2135 2048 MASTER 0 0 0 0 0 0 0 0 2133 2 94 16 END
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Structure:
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Related entries of code: 6prf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ye3
RCSB PDB
PDBbind
99aa, >4YE3_1|Chains... *
4yhq
RCSB PDB
PDBbind
99aa, >4YHQ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5tys
RCSB PDB
PDBbind
7OA
Entry Information
PDB ID
6prf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 Protease multiple drug resistant clinical isolate mutant PR20
Ligand Name
7OA
EC.Number
E.C.-.-.-.-
Resolution
1.21(Å)
Affinity (Kd/Ki/IC50)
Ki=2.5nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Biochem.Biophys.Res.Commun. Vol. 519: pp. 61-66
Ligand Properties
Formula
C
3
3
H
4
0
F
2
N
4
O
7
S
2
Molecular Weight
706.820
Exact Mass
706.231
No. of atoms
88
No. of bonds
94
Polar Surface Area
175.94
LOGP Value
5.44 (
Computed with XLOGP3
)
6.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 7
Canonical SMILES
O=C(O[C@H]1[C@H]2CO[C@@H]3[C@@H]([C@H]1CO3)C2)N[C@H]([C@@H](CN(S(=O)(=O)c1ccc2c(c1)sc(n2)NC1CC1)CC(C)C)O)Cc1cc(F)cc(c1)F
InChI String
InChI=1S/C33H40F2N4O7S2/c1-17(2)13-39(48(42,43)23-5-6-26-29(12-23)47-32(37-26)36-22-3-4-22)14-28(40)27(9-18-7-20(34)11-21(35)8-18)38-33(41)46-30-19-10-24-25(30)16-45-31(24)44-15-19/h5-8,11-12,17,19,22,24-25,27-28,30-31,40H,3-4,9-10,13-16H2,1-2H3,(H,36,37)(H,38,41)/t19-,24-,25-,27+,28-,30+,31+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03366
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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