Browse entries in the PDBbind-CN Database
HEADER 4QH7_COMPLEX COMPND 4QH7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 83 ALA VAL ILE LYS ASN ALA ASP MET SER GLU GLU MET GLN SEQRES 2 A 83 GLN ASP ALA VAL ASP CYS ALA THR GLN ALA LEU GLU LYS SEQRES 3 A 83 TYR ASN ILE GLU LYS ASP ILE ALA ALA TYR ILE LYS LYS SEQRES 4 A 83 GLU PHE ASP LYS LYS TYR ASN PRO THR TRP HIS CYS ILE SEQRES 5 A 83 VAL GLY ARG ASN PHE GLY SER TYR VAL THR HIS GLU THR SEQRES 6 A 83 ARG HIS PHE ILE TYR PHE TYR LEU GLY GLN VAL ALA ILE SEQRES 7 A 83 LEU LEU PHE LYS SER SEQRES 1 B 83 ALA VAL ILE LYS ASN ALA ASP MET SER GLU GLU MET GLN SEQRES 2 B 83 GLN ASP ALA VAL ASP CYS ALA THR GLN ALA LEU GLU LYS SEQRES 3 B 83 TYR ASN ILE GLU LYS ASP ILE ALA ALA TYR ILE LYS LYS SEQRES 4 B 83 GLU PHE ASP LYS LYS TYR ASN PRO THR TRP HIS CYS ILE SEQRES 5 B 83 VAL GLY ARG ASN PHE GLY SER TYR VAL THR HIS GLU THR SEQRES 6 B 83 ARG HIS PHE ILE TYR PHE TYR LEU GLY GLN VAL ALA ILE SEQRES 7 B 83 LEU LEU PHE LYS SER HET ASN A 353 166 ATOM 1 N ALA A 6 -15.961 6.784 8.354 1.00 28.81 N ATOM 2 CA ALA A 6 -16.708 5.522 8.401 1.00 28.88 C ATOM 3 C ALA A 6 -16.869 5.005 9.826 1.00 22.71 C ATOM 4 O ALA A 6 -15.889 4.638 10.480 1.00 26.04 O ATOM 5 CB ALA A 6 -16.037 4.469 7.545 1.00 29.27 C ATOM 6 HN3 ALA A 6 -15.013 6.639 8.756 1.00 0.00 H ATOM 7 HN2 ALA A 6 -16.467 7.506 8.906 1.00 0.00 H ATOM 8 HN1 ALA A 6 -15.876 7.098 7.366 1.00 0.00 H ATOM 9 N VAL A 7 -18.111 4.962 10.297 1.00 19.89 N ATOM 10 CA VAL A 7 -18.400 4.514 11.655 1.00 17.99 C ATOM 11 C VAL A 7 -19.140 3.179 11.622 1.00 17.54 C ATOM 12 O VAL A 7 -20.276 3.104 11.140 1.00 14.96 O ATOM 13 CB VAL A 7 -19.250 5.556 12.410 1.00 19.17 C ATOM 14 CG1 VAL A 7 -19.538 5.094 13.834 1.00 19.27 C ATOM 15 CG2 VAL A 7 -18.541 6.901 12.428 1.00 23.83 C ATOM 16 H VAL A 7 -18.897 5.255 9.682 1.00 0.00 H ATOM 17 N ILE A 8 -18.493 2.126 12.116 1.00 17.10 N ATOM 18 CA ILE A 8 -19.142 0.818 12.192 1.00 17.82 C ATOM 19 C ILE A 8 -20.049 0.793 13.415 1.00 18.11 C ATOM 20 O ILE A 8 -19.579 0.991 14.532 1.00 19.77 O ATOM 21 CB ILE A 8 -18.127 -0.336 12.319 1.00 19.53 C ATOM 22 CG1 ILE A 8 -16.929 -0.139 11.384 1.00 23.51 C ATOM 23 CG2 ILE A 8 -18.822 -1.680 12.089 1.00 19.29 C ATOM 24 CD1 ILE A 8 -17.272 -0.158 9.920 1.00 22.70 C ATOM 25 H ILE A 8 -17.515 2.235 12.452 1.00 0.00 H ATOM 26 N LYS A 9 -21.344 0.562 13.209 1.00 15.40 N ATOM 27 CA LYS A 9 -22.310 0.541 14.306 1.00 16.49 C ATOM 28 C LYS A 9 -22.522 -0.874 14.812 1.00 17.46 C ATOM 29 O LYS A 9 -22.789 -1.104 15.995 1.00 17.08 O ATOM 30 CB LYS A 9 -23.649 1.123 13.846 1.00 16.21 C ATOM 31 CG LYS A 9 -23.568 2.526 13.254 1.00 16.44 C ATOM 32 CD LYS A 9 -23.223 3.579 14.309 1.00 22.25 C ATOM 33 CE LYS A 9 -24.272 3.646 15.402 1.00 29.43 C ATOM 34 NZ LYS A 9 -24.211 4.938 16.160 1.00 36.10 N ATOM 35 HZ1 LYS A 9 -23.274 5.036 16.601 1.00 0.00 H ATOM 36 HZ2 LYS A 9 -24.372 5.730 15.506 1.00 0.00 H ATOM 37 HZ3 LYS A 9 -24.945 4.941 16.897 1.00 0.00 H ATOM 38 H LYS A 9 -21.678 0.391 12.239 1.00 0.00 H ATOM 39 N ASN A 10 -22.398 -1.838 13.910 1.00 14.00 N ATOM 40 CA ASN A 10 -22.589 -3.229 14.289 1.00 13.92 C ATOM 41 C ASN A 10 -21.981 -4.098 13.203 1.00 17.21 C ATOM 42 O ASN A 10 -22.100 -3.787 12.021 1.00 16.12 O ATOM 43 CB ASN A 10 -24.082 -3.527 14.434 1.00 17.79 C ATOM 44 CG ASN A 10 -24.357 -4.870 15.082 1.00 22.35 C ATOM 45 OD1 ASN A 10 -23.444 -5.660 15.316 1.00 23.64 O ATOM 46 ND2 ASN A 10 -25.629 -5.141 15.364 1.00 22.77 N ATOM 47 HD22 ASN A 10 -26.369 -4.443 15.149 1.00 0.00 H ATOM 48 HD21 ASN A 10 -25.883 -6.051 15.800 1.00 0.00 H ATOM 49 H ASN A 10 -22.163 -1.598 12.926 1.00 0.00 H ATOM 50 N ALA A 11 -21.317 -5.177 13.593 1.00 17.00 N ATOM 51 CA ALA A 11 -20.693 -6.038 12.602 1.00 13.32 C ATOM 52 C ALA A 11 -20.505 -7.453 13.105 1.00 16.93 C ATOM 53 O ALA A 11 -20.298 -7.686 14.294 1.00 16.68 O ATOM 54 CB ALA A 11 -19.353 -5.451 12.131 1.00 13.75 C ATOM 55 H ALA A 11 -21.243 -5.407 14.605 1.00 0.00 H ATOM 56 N ASP A 12 -20.606 -8.395 12.177 1.00 14.01 N ATOM 57 CA ASP A 12 -20.147 -9.754 12.400 1.00 15.78 C ATOM 58 C ASP A 12 -19.448 -10.125 11.106 1.00 14.26 C ATOM 59 O ASP A 12 -20.057 -10.698 10.214 1.00 14.29 O ATOM 60 CB ASP A 12 -21.311 -10.707 12.662 1.00 14.28 C ATOM 61 CG ASP A 12 -20.850 -12.144 12.841 1.00 15.17 C ATOM 62 OD1 ASP A 12 -19.685 -12.342 13.240 1.00 19.17 O ATOM 63 OD2 ASP A 12 -21.642 -13.066 12.570 1.00 14.86 O ATOM 64 H ASP A 12 -21.028 -8.152 11.258 1.00 0.00 H ATOM 65 N MET A 13 -18.172 -9.777 11.012 1.00 15.07 N ATOM 66 CA MET A 13 -17.468 -9.804 9.742 1.00 17.04 C ATOM 67 C MET A 13 -15.976 -9.669 9.973 1.00 16.99 C ATOM 68 O MET A 13 -15.551 -8.930 10.863 1.00 17.43 O ATOM 69 CB MET A 13 -17.959 -8.636 8.875 1.00 14.69 C ATOM 70 CG MET A 13 -17.379 -8.596 7.472 1.00 15.03 C ATOM 71 SD MET A 13 -18.120 -7.307 6.422 1.00 13.86 S ATOM 72 CE MET A 13 -19.705 -8.048 6.014 1.00 12.52 C ATOM 73 H MET A 13 -17.663 -9.478 11.868 1.00 0.00 H ATOM 74 N SER A 14 -15.177 -10.365 9.166 1.00 17.05 N ATOM 75 CA SER A 14 -13.726 -10.262 9.270 1.00 20.90 C ATOM 76 C SER A 14 -13.289 -8.831 9.004 1.00 22.63 C ATOM 77 O SER A 14 -13.943 -8.101 8.259 1.00 18.39 O ATOM 78 CB SER A 14 -13.036 -11.209 8.284 1.00 26.34 C ATOM 79 OG SER A 14 -13.191 -10.756 6.950 1.00 23.51 O ATOM 80 HG SER A 14 -12.737 -11.384 6.334 1.00 0.00 H ATOM 81 H SER A 14 -15.595 -10.992 8.450 1.00 0.00 H ATOM 82 N GLU A 15 -12.178 -8.427 9.609 1.00 21.37 N ATOM 83 CA GLU A 15 -11.679 -7.073 9.434 1.00 24.69 C ATOM 84 C GLU A 15 -11.363 -6.763 7.971 1.00 20.69 C ATOM 85 O GLU A 15 -11.523 -5.629 7.525 1.00 21.08 O ATOM 86 CB GLU A 15 -10.442 -6.859 10.300 1.00 28.61 C ATOM 87 CG GLU A 15 -10.109 -5.409 10.554 1.00 32.18 C ATOM 88 CD GLU A 15 -9.000 -5.253 11.573 1.00 38.62 C ATOM 89 OE1 GLU A 15 -8.226 -6.220 11.754 1.00 36.86 O ATOM 90 OE2 GLU A 15 -8.908 -4.172 12.190 1.00 43.10 O ATOM 91 H GLU A 15 -11.657 -9.090 10.218 1.00 0.00 H ATOM 92 N GLU A 16 -10.916 -7.766 7.221 1.00 22.37 N ATOM 93 CA GLU A 16 -10.576 -7.554 5.813 1.00 25.49 C ATOM 94 C GLU A 16 -11.828 -7.341 4.967 1.00 19.30 C ATOM 95 O GLU A 16 -11.859 -6.486 4.079 1.00 21.02 O ATOM 96 CB GLU A 16 -9.765 -8.731 5.262 1.00 27.72 C ATOM 97 CG GLU A 16 -9.417 -8.597 3.792 1.00 32.65 C ATOM 98 CD GLU A 16 -8.712 -9.824 3.246 1.00 45.71 C ATOM 99 OE1 GLU A 16 -8.700 -10.000 2.007 1.00 45.28 O ATOM 100 OE2 GLU A 16 -8.173 -10.606 4.061 1.00 49.81 O ATOM 101 H GLU A 16 -10.807 -8.712 7.639 1.00 0.00 H ATOM 102 N MET A 17 -12.863 -8.123 5.247 1.00 18.15 N ATOM 103 CA MET A 17 -14.131 -7.964 4.544 1.00 19.79 C ATOM 104 C MET A 17 -14.829 -6.656 4.947 1.00 19.34 C ATOM 105 O MET A 17 -15.476 -6.013 4.117 1.00 16.66 O ATOM 106 CB MET A 17 -15.035 -9.175 4.780 1.00 17.63 C ATOM 107 CG MET A 17 -16.278 -9.192 3.896 1.00 20.73 C ATOM 108 SD MET A 17 -17.342 -10.618 4.213 1.00 28.64 S ATOM 109 CE MET A 17 -16.179 -11.962 3.938 1.00 19.40 C ATOM 110 H MET A 17 -12.769 -8.858 5.977 1.00 0.00 H ATOM 111 N GLN A 18 -14.690 -6.250 6.208 1.00 15.05 N ATOM 112 CA GLN A 18 -15.201 -4.936 6.616 1.00 19.33 C ATOM 113 C GLN A 18 -14.582 -3.799 5.804 1.00 17.94 C ATOM 114 O GLN A 18 -15.284 -2.883 5.365 1.00 16.52 O ATOM 115 CB GLN A 18 -14.977 -4.681 8.112 1.00 19.86 C ATOM 116 CG GLN A 18 -15.849 -5.523 9.038 1.00 16.34 C ATOM 117 CD GLN A 18 -15.773 -5.065 10.483 1.00 20.11 C ATOM 118 OE1 GLN A 18 -15.626 -3.875 10.762 1.00 21.70 O ATOM 119 NE2 GLN A 18 -15.880 -6.007 11.408 1.00 19.29 N ATOM 120 HE22 GLN A 18 -16.003 -7.001 11.127 1.00 0.00 H ATOM 121 HE21 GLN A 18 -15.841 -5.753 12.416 1.00 0.00 H ATOM 122 H GLN A 18 -14.220 -6.864 6.903 1.00 0.00 H ATOM 123 N GLN A 19 -13.267 -3.849 5.613 1.00 20.15 N ATOM 124 CA GLN A 19 -12.584 -2.790 4.877 1.00 23.20 C ATOM 125 C GLN A 19 -13.053 -2.773 3.429 1.00 17.79 C ATOM 126 O GLN A 19 -13.206 -1.703 2.831 1.00 20.45 O ATOM 127 CB GLN A 19 -11.062 -2.963 4.924 1.00 24.35 C ATOM 128 CG GLN A 19 -10.317 -1.787 4.288 1.00 27.02 C ATOM 129 CD GLN A 19 -10.632 -0.470 4.979 1.00 31.47 C ATOM 130 OE1 GLN A 19 -10.482 -0.349 6.193 1.00 35.94 O ATOM 131 NE2 GLN A 19 -11.085 0.518 4.210 1.00 33.33 N ATOM 132 HE22 GLN A 19 -11.196 0.371 3.186 1.00 0.00 H ATOM 133 HE21 GLN A 19 -11.327 1.437 4.633 1.00 0.00 H ATOM 134 H GLN A 19 -12.721 -4.649 5.991 1.00 0.00 H ATOM 135 N ASP A 20 -13.290 -3.960 2.876 1.00 16.26 N ATOM 136 CA ASP A 20 -13.822 -4.074 1.516 1.00 17.58 C ATOM 137 C ASP A 20 -15.233 -3.499 1.387 1.00 18.70 C ATOM 138 O ASP A 20 -15.556 -2.878 0.378 1.00 16.69 O ATOM 139 CB ASP A 20 -13.818 -5.530 1.039 1.00 21.74 C ATOM 140 CG ASP A 20 -12.479 -5.954 0.460 1.00 35.21 C ATOM 141 OD1 ASP A 20 -11.648 -5.066 0.160 1.00 37.39 O ATOM 142 OD2 ASP A 20 -12.265 -7.177 0.300 1.00 34.80 O ATOM 143 H ASP A 20 -13.094 -4.824 3.420 1.00 0.00 H ATOM 144 N ALA A 21 -16.077 -3.723 2.393 1.00 15.97 N ATOM 145 CA ALA A 21 -17.416 -3.124 2.408 1.00 15.30 C ATOM 146 C ALA A 21 -17.333 -1.593 2.412 1.00 16.02 C ATOM 147 O ALA A 21 -18.047 -0.917 1.663 1.00 14.19 O ATOM 148 CB ALA A 21 -18.213 -3.619 3.616 1.00 13.43 C ATOM 149 H ALA A 21 -15.781 -4.333 3.182 1.00 0.00 H ATOM 150 N VAL A 22 -16.458 -1.053 3.256 1.00 15.14 N ATOM 151 CA VAL A 22 -16.273 0.390 3.350 1.00 18.01 C ATOM 152 C VAL A 22 -15.749 0.960 2.034 1.00 17.51 C ATOM 153 O VAL A 22 -16.249 1.982 1.563 1.00 17.84 O ATOM 154 CB VAL A 22 -15.338 0.775 4.522 1.00 17.03 C ATOM 155 CG1 VAL A 22 -14.933 2.258 4.437 1.00 18.89 C ATOM 156 CG2 VAL A 22 -16.002 0.459 5.865 1.00 19.03 C ATOM 157 H VAL A 22 -15.891 -1.677 3.865 1.00 0.00 H ATOM 158 N ASP A 23 -14.761 0.295 1.437 1.00 16.43 N ATOM 159 CA ASP A 23 -14.176 0.760 0.180 1.00 21.18 C ATOM 160 C ASP A 23 -15.207 0.725 -0.940 1.00 19.64 C ATOM 161 O ASP A 23 -15.318 1.650 -1.745 1.00 18.71 O ATOM 162 CB ASP A 23 -12.972 -0.108 -0.220 1.00 22.10 C ATOM 163 CG ASP A 23 -11.768 0.089 0.693 1.00 26.88 C ATOM 164 OD1 ASP A 23 -10.817 -0.720 0.596 1.00 28.80 O ATOM 165 OD2 ASP A 23 -11.773 1.036 1.511 1.00 29.65 O ATOM 166 H ASP A 23 -14.397 -0.575 1.875 1.00 0.00 H ATOM 167 N CYS A 24 -15.961 -0.363 -0.984 1.00 17.70 N ATOM 168 CA CYS A 24 -16.964 -0.551 -2.014 1.00 15.84 C ATOM 169 C CYS A 24 -18.062 0.504 -1.859 1.00 17.37 C ATOM 170 O CYS A 24 -18.508 1.104 -2.833 1.00 15.54 O ATOM 171 CB CYS A 24 -17.543 -1.952 -1.867 1.00 20.15 C ATOM 172 SG CYS A 24 -18.598 -2.413 -3.181 1.00 32.95 S ATOM 173 H CYS A 24 -15.830 -1.100 -0.262 1.00 0.00 H ATOM 174 N ALA A 25 -18.482 0.744 -0.621 1.00 13.07 N ATOM 175 CA ALA A 25 -19.491 1.762 -0.369 1.00 11.66 C ATOM 176 C ALA A 25 -18.950 3.146 -0.744 1.00 17.28 C ATOM 177 O ALA A 25 -19.680 3.993 -1.269 1.00 14.96 O ATOM 178 CB ALA A 25 -19.943 1.728 1.084 1.00 14.60 C ATOM 179 H ALA A 25 -18.087 0.201 0.173 1.00 0.00 H ATOM 180 N THR A 26 -17.667 3.370 -0.477 1.00 14.61 N ATOM 181 CA THR A 26 -17.034 4.644 -0.825 1.00 17.96 C ATOM 182 C THR A 26 -17.083 4.881 -2.335 1.00 18.43 C ATOM 183 O THR A 26 -17.420 5.976 -2.788 1.00 18.87 O ATOM 184 CB THR A 26 -15.579 4.703 -0.333 1.00 17.25 C ATOM 185 OG1 THR A 26 -15.561 4.673 1.099 1.00 17.93 O ATOM 186 CG2 THR A 26 -14.891 5.980 -0.814 1.00 22.65 C ATOM 187 HG1 THR A 26 -15.985 3.836 1.416 1.00 0.00 H ATOM 188 H THR A 26 -17.104 2.629 -0.014 1.00 0.00 H ATOM 189 N GLN A 27 -16.743 3.852 -3.105 1.00 18.11 N ATOM 190 CA GLN A 27 -16.809 3.918 -4.560 1.00 19.70 C ATOM 191 C GLN A 27 -18.240 4.146 -5.028 1.00 18.37 C ATOM 192 O GLN A 27 -18.480 4.867 -5.993 1.00 15.55 O ATOM 193 CB GLN A 27 -16.294 2.618 -5.180 1.00 21.70 C ATOM 194 CG GLN A 27 -14.818 2.318 -4.924 1.00 23.54 C ATOM 195 CD GLN A 27 -14.416 0.920 -5.382 1.00 34.74 C ATOM 196 OE1 GLN A 27 -15.256 0.116 -5.809 1.00 33.70 O ATOM 197 NE2 GLN A 27 -13.126 0.624 -5.291 1.00 35.61 N ATOM 198 HE22 GLN A 27 -12.455 1.330 -4.926 1.00 0.00 H ATOM 199 HE21 GLN A 27 -12.786 -0.314 -5.584 1.00 0.00 H ATOM 200 H GLN A 27 -16.420 2.972 -2.655 1.00 0.00 H ATOM 201 N ALA A 28 -19.194 3.523 -4.341 1.00 14.83 N ATOM 202 CA ALA A 28 -20.598 3.627 -4.740 1.00 16.81 C ATOM 203 C ALA A 28 -21.118 5.048 -4.537 1.00 15.62 C ATOM 204 O ALA A 28 -21.869 5.565 -5.362 1.00 13.92 O ATOM 205 CB ALA A 28 -21.459 2.615 -3.957 1.00 11.25 C ATOM 206 H ALA A 28 -18.938 2.954 -3.509 1.00 0.00 H ATOM 207 N LEU A 29 -20.708 5.669 -3.436 1.00 15.54 N ATOM 208 CA LEU A 29 -21.125 7.031 -3.106 1.00 19.01 C ATOM 209 C LEU A 29 -20.503 8.082 -4.028 1.00 15.84 C ATOM 210 O LEU A 29 -21.126 9.105 -4.322 1.00 18.89 O ATOM 211 CB LEU A 29 -20.808 7.342 -1.642 1.00 18.57 C ATOM 212 CG LEU A 29 -21.734 6.633 -0.654 1.00 17.07 C ATOM 213 CD1 LEU A 29 -21.224 6.725 0.768 1.00 22.47 C ATOM 214 CD2 LEU A 29 -23.109 7.233 -0.740 1.00 17.63 C ATOM 215 H LEU A 29 -20.068 5.169 -2.786 1.00 0.00 H ATOM 216 N GLU A 30 -19.281 7.830 -4.480 1.00 19.38 N ATOM 217 CA GLU A 30 -18.621 8.735 -5.419 1.00 19.81 C ATOM 218 C GLU A 30 -19.341 8.739 -6.760 1.00 20.19 C ATOM 219 O GLU A 30 -19.418 9.767 -7.439 1.00 20.10 O ATOM 220 CB GLU A 30 -17.162 8.327 -5.624 1.00 23.69 C ATOM 221 CG GLU A 30 -16.301 8.503 -4.386 1.00 27.70 C ATOM 222 CD GLU A 30 -14.843 8.152 -4.628 1.00 35.31 C ATOM 223 OE1 GLU A 30 -14.558 7.403 -5.587 1.00 40.53 O ATOM 224 OE2 GLU A 30 -13.981 8.627 -3.855 1.00 39.12 O ATOM 225 H GLU A 30 -18.784 6.974 -4.161 1.00 0.00 H ATOM 226 N LYS A 31 -19.868 7.580 -7.142 1.00 18.29 N ATOM 227 CA LYS A 31 -20.485 7.429 -8.449 1.00 17.51 C ATOM 228 C LYS A 31 -21.977 7.743 -8.465 1.00 17.90 C ATOM 229 O LYS A 31 -22.469 8.399 -9.388 1.00 16.88 O ATOM 230 CB LYS A 31 -20.250 6.024 -9.012 1.00 16.20 C ATOM 231 CG LYS A 31 -20.935 5.832 -10.363 1.00 18.23 C ATOM 232 CD LYS A 31 -20.463 4.600 -11.117 1.00 22.36 C ATOM 233 CE LYS A 31 -21.242 4.488 -12.425 1.00 25.36 C ATOM 234 NZ LYS A 31 -20.607 3.605 -13.426 1.00 33.07 N ATOM 235 HZ1 LYS A 31 -19.662 3.971 -13.660 1.00 0.00 H ATOM 236 HZ2 LYS A 31 -20.521 2.645 -13.035 1.00 0.00 H ATOM 237 HZ3 LYS A 31 -21.193 3.579 -14.285 1.00 0.00 H ATOM 238 H LYS A 31 -19.838 6.767 -6.494 1.00 0.00 H ATOM 239 N TYR A 32 -22.694 7.278 -7.445 1.00 14.85 N ATOM 240 CA TYR A 32 -24.150 7.324 -7.467 1.00 15.03 C ATOM 241 C TYR A 32 -24.755 8.239 -6.410 1.00 16.15 C ATOM 242 O TYR A 32 -24.291 8.302 -5.271 1.00 17.77 O ATOM 243 CB TYR A 32 -24.730 5.910 -7.323 1.00 14.23 C ATOM 244 CG TYR A 32 -24.449 5.005 -8.509 1.00 16.20 C ATOM 245 CD1 TYR A 32 -25.046 5.238 -9.743 1.00 16.36 C ATOM 246 CD2 TYR A 32 -23.598 3.912 -8.388 1.00 15.82 C ATOM 247 CE1 TYR A 32 -24.796 4.409 -10.831 1.00 17.19 C ATOM 248 CE2 TYR A 32 -23.344 3.077 -9.468 1.00 21.47 C ATOM 249 CZ TYR A 32 -23.951 3.328 -10.681 1.00 20.20 C ATOM 250 OH TYR A 32 -23.698 2.500 -11.751 1.00 27.09 O ATOM 251 HH TYR A 32 -24.207 2.816 -12.539 1.00 0.00 H ATOM 252 H TYR A 32 -22.207 6.875 -6.619 1.00 0.00 H ATOM 253 N ASN A 33 -25.814 8.931 -6.806 1.00 17.45 N ATOM 254 CA ASN A 33 -26.513 9.856 -5.930 1.00 19.31 C ATOM 255 C ASN A 33 -27.734 9.224 -5.235 1.00 18.98 C ATOM 256 O ASN A 33 -28.086 9.600 -4.115 1.00 19.01 O ATOM 257 CB ASN A 33 -26.916 11.077 -6.760 1.00 22.77 C ATOM 258 CG ASN A 33 -27.645 12.119 -5.954 1.00 31.28 C ATOM 259 OD1 ASN A 33 -27.073 12.736 -5.050 1.00 37.76 O ATOM 260 ND2 ASN A 33 -28.914 12.351 -6.296 1.00 34.33 N ATOM 261 HD22 ASN A 33 -29.353 11.806 -7.065 1.00 0.00 H ATOM 262 HD21 ASN A 33 -29.463 13.077 -5.794 1.00 0.00 H ATOM 263 H ASN A 33 -26.157 8.807 -7.780 1.00 0.00 H ATOM 264 N ILE A 34 -28.366 8.257 -5.894 1.00 16.08 N ATOM 265 CA ILE A 34 -29.614 7.667 -5.394 1.00 14.44 C ATOM 266 C ILE A 34 -29.346 6.401 -4.556 1.00 12.26 C ATOM 267 O ILE A 34 -28.600 5.528 -4.994 1.00 12.45 O ATOM 268 CB ILE A 34 -30.542 7.298 -6.563 1.00 18.83 C ATOM 269 CG1 ILE A 34 -30.870 8.529 -7.420 1.00 22.38 C ATOM 270 CG2 ILE A 34 -31.818 6.646 -6.061 1.00 20.39 C ATOM 271 CD1 ILE A 34 -31.620 8.178 -8.690 1.00 23.26 C ATOM 272 H ILE A 34 -27.965 7.909 -6.788 1.00 0.00 H ATOM 273 N GLU A 35 -29.959 6.295 -3.374 1.00 15.01 N ATOM 274 CA GLU A 35 -29.666 5.178 -2.461 1.00 14.44 C ATOM 275 C GLU A 35 -29.810 3.801 -3.102 1.00 9.93 C ATOM 276 O GLU A 35 -28.981 2.923 -2.870 1.00 11.22 O ATOM 277 CB GLU A 35 -30.529 5.232 -1.191 1.00 12.42 C ATOM 278 CG GLU A 35 -30.428 6.527 -0.406 1.00 14.85 C ATOM 279 CD GLU A 35 -31.546 7.487 -0.757 1.00 25.60 C ATOM 280 OE1 GLU A 35 -31.519 8.062 -1.877 1.00 18.72 O ATOM 281 OE2 GLU A 35 -32.466 7.645 0.082 1.00 23.19 O ATOM 282 H GLU A 35 -30.656 7.014 -3.094 1.00 0.00 H ATOM 283 N LYS A 36 -30.856 3.610 -3.903 1.00 12.40 N ATOM 284 CA LYS A 36 -31.090 2.315 -4.550 1.00 12.62 C ATOM 285 C LYS A 36 -29.927 1.913 -5.461 1.00 13.34 C ATOM 286 O LYS A 36 -29.552 0.733 -5.528 1.00 10.58 O ATOM 287 CB LYS A 36 -32.410 2.340 -5.334 1.00 14.86 C ATOM 288 CG LYS A 36 -32.736 1.052 -6.066 1.00 24.40 C ATOM 289 CD LYS A 36 -34.029 1.157 -6.879 1.00 25.80 C ATOM 290 CE LYS A 36 -33.918 2.189 -7.993 1.00 27.14 C ATOM 291 NZ LYS A 36 -32.684 1.982 -8.811 1.00 36.03 N ATOM 292 HZ1 LYS A 36 -31.847 2.065 -8.200 1.00 0.00 H ATOM 293 HZ2 LYS A 36 -32.709 1.035 -9.240 1.00 0.00 H ATOM 294 HZ3 LYS A 36 -32.641 2.702 -9.560 1.00 0.00 H ATOM 295 H LYS A 36 -31.519 4.393 -4.073 1.00 0.00 H ATOM 296 N ASP A 37 -29.342 2.894 -6.147 1.00 13.03 N ATOM 297 CA ASP A 37 -28.231 2.635 -7.060 1.00 12.73 C ATOM 298 C ASP A 37 -26.948 2.370 -6.281 1.00 11.96 C ATOM 299 O ASP A 37 -26.143 1.519 -6.667 1.00 10.18 O ATOM 300 CB ASP A 37 -28.020 3.826 -8.011 1.00 13.52 C ATOM 301 CG ASP A 37 -29.167 4.017 -8.984 1.00 19.84 C ATOM 302 OD1 ASP A 37 -29.842 3.017 -9.305 1.00 18.58 O ATOM 303 OD2 ASP A 37 -29.388 5.172 -9.438 1.00 18.26 O ATOM 304 H ASP A 37 -29.685 3.869 -6.030 1.00 0.00 H ATOM 305 N ILE A 38 -26.765 3.127 -5.201 1.00 10.23 N ATOM 306 CA ILE A 38 -25.646 2.937 -4.290 1.00 11.38 C ATOM 307 C ILE A 38 -25.731 1.518 -3.742 1.00 12.36 C ATOM 308 O ILE A 38 -24.746 0.778 -3.748 1.00 8.72 O ATOM 309 CB ILE A 38 -25.679 3.959 -3.139 1.00 10.35 C ATOM 310 CG1 ILE A 38 -25.493 5.384 -3.682 1.00 12.87 C ATOM 311 CG2 ILE A 38 -24.602 3.649 -2.094 1.00 10.27 C ATOM 312 CD1 ILE A 38 -25.961 6.475 -2.719 1.00 16.56 C ATOM 313 H ILE A 38 -27.449 3.884 -5.000 1.00 0.00 H ATOM 314 N ALA A 39 -26.925 1.131 -3.298 1.00 8.61 N ATOM 315 CA ALA A 39 -27.130 -0.220 -2.756 1.00 9.13 C ATOM 316 C ALA A 39 -26.837 -1.285 -3.808 1.00 12.38 C ATOM 317 O ALA A 39 -26.168 -2.283 -3.525 1.00 8.78 O ATOM 318 CB ALA A 39 -28.548 -0.372 -2.226 1.00 10.08 C ATOM 319 H ALA A 39 -27.725 1.795 -3.335 1.00 0.00 H ATOM 320 N ALA A 40 -27.355 -1.079 -5.016 1.00 12.04 N ATOM 321 CA ALA A 40 -27.133 -2.033 -6.109 1.00 12.21 C ATOM 322 C ALA A 40 -25.652 -2.237 -6.437 1.00 12.77 C ATOM 323 O ALA A 40 -25.219 -3.370 -6.654 1.00 12.55 O ATOM 324 CB ALA A 40 -27.915 -1.622 -7.366 1.00 12.40 C ATOM 325 H ALA A 40 -27.927 -0.228 -5.189 1.00 0.00 H ATOM 326 N TYR A 41 -24.872 -1.154 -6.470 1.00 11.05 N ATOM 327 CA TYR A 41 -23.436 -1.271 -6.732 1.00 12.29 C ATOM 328 C TYR A 41 -22.740 -2.155 -5.690 1.00 14.17 C ATOM 329 O TYR A 41 -21.954 -3.053 -6.027 1.00 10.46 O ATOM 330 CB TYR A 41 -22.783 0.114 -6.769 1.00 14.59 C ATOM 331 CG TYR A 41 -21.297 0.093 -7.061 1.00 16.40 C ATOM 332 CD1 TYR A 41 -20.822 0.210 -8.368 1.00 23.44 C ATOM 333 CD2 TYR A 41 -20.371 -0.037 -6.036 1.00 15.71 C ATOM 334 CE1 TYR A 41 -19.463 0.193 -8.637 1.00 23.53 C ATOM 335 CE2 TYR A 41 -19.021 -0.050 -6.291 1.00 19.14 C ATOM 336 CZ TYR A 41 -18.570 0.067 -7.587 1.00 26.75 C ATOM 337 OH TYR A 41 -17.218 0.048 -7.819 1.00 25.06 O ATOM 338 HH TYR A 41 -16.791 0.799 -7.335 1.00 0.00 H ATOM 339 H TYR A 41 -25.289 -0.215 -6.308 1.00 0.00 H ATOM 340 N ILE A 42 -23.032 -1.899 -4.424 1.00 10.00 N ATOM 341 CA ILE A 42 -22.403 -2.633 -3.338 1.00 12.18 C ATOM 342 C ILE A 42 -22.821 -4.096 -3.363 1.00 10.22 C ATOM 343 O ILE A 42 -21.971 -4.990 -3.297 1.00 11.55 O ATOM 344 CB ILE A 42 -22.770 -2.013 -1.986 1.00 9.60 C ATOM 345 CG1 ILE A 42 -22.336 -0.548 -1.954 1.00 11.80 C ATOM 346 CG2 ILE A 42 -22.129 -2.788 -0.844 1.00 10.61 C ATOM 347 CD1 ILE A 42 -22.801 0.211 -0.697 1.00 11.26 C ATOM 348 H ILE A 42 -23.726 -1.157 -4.202 1.00 0.00 H ATOM 349 N LYS A 43 -24.132 -4.331 -3.445 1.00 11.01 N ATOM 350 CA LYS A 43 -24.682 -5.678 -3.508 1.00 8.27 C ATOM 351 C LYS A 43 -24.044 -6.482 -4.627 1.00 10.99 C ATOM 352 O LYS A 43 -23.650 -7.638 -4.432 1.00 10.76 O ATOM 353 CB LYS A 43 -26.213 -5.628 -3.670 1.00 9.07 C ATOM 354 CG LYS A 43 -26.927 -7.012 -3.710 1.00 7.08 C ATOM 355 CD LYS A 43 -26.988 -7.634 -5.123 1.00 12.50 C ATOM 356 CE LYS A 43 -28.138 -8.621 -5.266 1.00 11.56 C ATOM 357 NZ LYS A 43 -27.910 -9.896 -4.503 1.00 10.77 N ATOM 358 HZ1 LYS A 43 -27.048 -10.359 -4.854 1.00 0.00 H ATOM 359 HZ2 LYS A 43 -27.801 -9.679 -3.492 1.00 0.00 H ATOM 360 HZ3 LYS A 43 -28.724 -10.529 -4.637 1.00 0.00 H ATOM 361 H LYS A 43 -24.785 -3.522 -3.465 1.00 0.00 H ATOM 362 N LYS A 44 -23.936 -5.877 -5.801 1.00 10.91 N ATOM 363 CA LYS A 44 -23.417 -6.597 -6.961 1.00 14.41 C ATOM 364 C LYS A 44 -21.930 -6.926 -6.832 1.00 13.14 C ATOM 365 O LYS A 44 -21.491 -8.003 -7.254 1.00 14.16 O ATOM 366 CB LYS A 44 -23.676 -5.805 -8.241 1.00 15.59 C ATOM 367 CG LYS A 44 -25.116 -5.849 -8.709 1.00 17.35 C ATOM 368 CD LYS A 44 -25.320 -4.836 -9.827 1.00 17.78 C ATOM 369 CE LYS A 44 -26.775 -4.779 -10.260 1.00 21.76 C ATOM 370 NZ LYS A 44 -26.935 -3.852 -11.425 1.00 32.15 N ATOM 371 HZ1 LYS A 44 -26.624 -2.898 -11.152 1.00 0.00 H ATOM 372 HZ2 LYS A 44 -26.357 -4.193 -12.220 1.00 0.00 H ATOM 373 HZ3 LYS A 44 -27.935 -3.824 -11.709 1.00 0.00 H ATOM 374 H LYS A 44 -24.223 -4.882 -5.897 1.00 0.00 H ATOM 375 N GLU A 45 -21.159 -5.997 -6.279 1.00 9.71 N ATOM 376 CA GLU A 45 -19.733 -6.229 -6.067 1.00 16.48 C ATOM 377 C GLU A 45 -19.516 -7.367 -5.086 1.00 16.36 C ATOM 378 O GLU A 45 -18.617 -8.194 -5.270 1.00 12.94 O ATOM 379 CB GLU A 45 -19.039 -4.971 -5.546 1.00 18.13 C ATOM 380 CG GLU A 45 -18.738 -3.957 -6.624 1.00 22.92 C ATOM 381 CD GLU A 45 -17.793 -4.521 -7.659 1.00 28.91 C ATOM 382 OE1 GLU A 45 -18.209 -4.686 -8.824 1.00 33.42 O ATOM 383 OE2 GLU A 45 -16.636 -4.808 -7.288 1.00 31.67 O ATOM 384 H GLU A 45 -21.578 -5.089 -5.992 1.00 0.00 H ATOM 385 N PHE A 46 -20.336 -7.405 -4.035 1.00 12.45 N ATOM 386 CA PHE A 46 -20.201 -8.456 -3.040 1.00 12.20 C ATOM 387 C PHE A 46 -20.645 -9.842 -3.528 1.00 10.93 C ATOM 388 O PHE A 46 -20.016 -10.835 -3.159 1.00 13.29 O ATOM 389 CB PHE A 46 -20.857 -8.061 -1.702 1.00 11.92 C ATOM 390 CG PHE A 46 -19.879 -7.512 -0.702 1.00 11.69 C ATOM 391 CD1 PHE A 46 -19.159 -6.360 -0.985 1.00 16.66 C ATOM 392 CD2 PHE A 46 -19.647 -8.166 0.506 1.00 11.83 C ATOM 393 CE1 PHE A 46 -18.238 -5.852 -0.072 1.00 16.84 C ATOM 394 CE2 PHE A 46 -18.734 -7.668 1.418 1.00 13.21 C ATOM 395 CZ PHE A 46 -18.022 -6.506 1.126 1.00 14.94 C ATOM 396 H PHE A 46 -21.074 -6.681 -3.927 1.00 0.00 H ATOM 397 N ASP A 47 -21.712 -9.914 -4.331 1.00 11.05 N ATOM 398 CA ASP A 47 -22.092 -11.182 -4.975 1.00 12.94 C ATOM 399 C ASP A 47 -20.929 -11.685 -5.813 1.00 16.75 C ATOM 400 O ASP A 47 -20.626 -12.879 -5.837 1.00 14.94 O ATOM 401 CB ASP A 47 -23.315 -11.028 -5.902 1.00 11.49 C ATOM 402 CG ASP A 47 -24.635 -10.982 -5.156 1.00 14.81 C ATOM 403 OD1 ASP A 47 -24.643 -11.200 -3.927 1.00 14.36 O ATOM 404 OD2 ASP A 47 -25.677 -10.741 -5.807 1.00 15.40 O ATOM 405 H ASP A 47 -22.282 -9.061 -4.503 1.00 0.00 H ATOM 406 N LYS A 48 -20.297 -10.763 -6.530 1.00 15.87 N ATOM 407 CA LYS A 48 -19.207 -11.120 -7.425 1.00 19.58 C ATOM 408 C LYS A 48 -17.990 -11.598 -6.639 1.00 18.94 C ATOM 409 O LYS A 48 -17.443 -12.663 -6.924 1.00 21.67 O ATOM 410 CB LYS A 48 -18.838 -9.931 -8.320 1.00 20.04 C ATOM 411 CG LYS A 48 -17.500 -10.085 -9.033 1.00 29.85 C ATOM 412 CD LYS A 48 -17.327 -9.048 -10.136 1.00 29.96 C ATOM 413 CE LYS A 48 -18.501 -9.082 -11.107 1.00 39.83 C ATOM 414 NZ LYS A 48 -18.355 -8.080 -12.212 1.00 55.77 N ATOM 415 HZ1 LYS A 48 -18.300 -7.124 -11.806 1.00 0.00 H ATOM 416 HZ2 LYS A 48 -17.487 -8.281 -12.748 1.00 0.00 H ATOM 417 HZ3 LYS A 48 -19.178 -8.142 -12.845 1.00 0.00 H ATOM 418 H LYS A 48 -20.587 -9.767 -6.450 1.00 0.00 H ATOM 419 N LYS A 49 -17.585 -10.826 -5.636 1.00 14.79 N ATOM 420 CA LYS A 49 -16.345 -11.105 -4.913 1.00 17.23 C ATOM 421 C LYS A 49 -16.475 -12.205 -3.857 1.00 22.13 C ATOM 422 O LYS A 49 -15.544 -12.991 -3.641 1.00 19.27 O ATOM 423 CB LYS A 49 -15.797 -9.828 -4.265 1.00 19.41 C ATOM 424 CG LYS A 49 -14.587 -10.085 -3.380 1.00 23.33 C ATOM 425 CD LYS A 49 -13.728 -8.848 -3.175 1.00 27.69 C ATOM 426 CE LYS A 49 -12.339 -9.257 -2.712 1.00 34.67 C ATOM 427 NZ LYS A 49 -11.459 -8.093 -2.439 1.00 32.55 N ATOM 428 HZ1 LYS A 49 -11.353 -7.529 -3.307 1.00 0.00 H ATOM 429 HZ2 LYS A 49 -11.884 -7.506 -1.693 1.00 0.00 H ATOM 430 HZ3 LYS A 49 -10.526 -8.431 -2.127 1.00 0.00 H ATOM 431 H LYS A 49 -18.162 -10.006 -5.359 1.00 0.00 H ATOM 432 N TYR A 50 -17.632 -12.268 -3.205 1.00 15.68 N ATOM 433 CA TYR A 50 -17.789 -13.158 -2.062 1.00 20.32 C ATOM 434 C TYR A 50 -18.945 -14.149 -2.187 1.00 18.02 C ATOM 435 O TYR A 50 -19.350 -14.733 -1.182 1.00 20.41 O ATOM 436 CB TYR A 50 -17.969 -12.341 -0.788 1.00 16.28 C ATOM 437 CG TYR A 50 -16.760 -11.523 -0.384 1.00 20.45 C ATOM 438 CD1 TYR A 50 -15.624 -12.134 0.126 1.00 22.61 C ATOM 439 CD2 TYR A 50 -16.768 -10.136 -0.484 1.00 18.20 C ATOM 440 CE1 TYR A 50 -14.524 -11.389 0.507 1.00 21.75 C ATOM 441 CE2 TYR A 50 -15.674 -9.385 -0.107 1.00 19.89 C ATOM 442 CZ TYR A 50 -14.559 -10.020 0.395 1.00 23.76 C ATOM 443 OH TYR A 50 -13.467 -9.282 0.778 1.00 28.40 O ATOM 444 HH TYR A 50 -13.125 -8.773 0.001 1.00 0.00 H ATOM 445 H TYR A 50 -18.431 -11.678 -3.513 1.00 0.00 H ATOM 446 N ASN A 51 -19.453 -14.330 -3.408 1.00 14.98 N ATOM 447 CA ASN A 51 -20.568 -15.241 -3.723 1.00 14.48 C ATOM 448 C ASN A 51 -21.934 -14.706 -3.290 1.00 15.82 C ATOM 449 O ASN A 51 -22.021 -13.936 -2.322 1.00 14.39 O ATOM 450 CB ASN A 51 -20.342 -16.660 -3.164 1.00 19.65 C ATOM 451 CG ASN A 51 -19.114 -17.330 -3.741 1.00 23.23 C ATOM 452 OD1 ASN A 51 -18.695 -17.031 -4.864 1.00 23.40 O ATOM 453 ND2 ASN A 51 -18.540 -18.262 -2.981 1.00 19.81 N ATOM 454 HD22 ASN A 51 -18.929 -18.479 -2.041 1.00 0.00 H ATOM 455 HD21 ASN A 51 -17.703 -18.772 -3.327 1.00 0.00 H ATOM 456 H ASN A 51 -19.033 -13.791 -4.192 1.00 0.00 H ATOM 457 N PRO A 52 -23.002 -15.109 -4.007 1.00 14.60 N ATOM 458 CA PRO A 52 -24.383 -14.794 -3.622 1.00 15.81 C ATOM 459 C PRO A 52 -24.684 -15.422 -2.265 1.00 17.45 C ATOM 460 O PRO A 52 -24.006 -16.381 -1.905 1.00 17.38 O ATOM 461 CB PRO A 52 -25.212 -15.473 -4.722 1.00 21.04 C ATOM 462 CG PRO A 52 -24.283 -15.563 -5.900 1.00 17.77 C ATOM 463 CD PRO A 52 -22.947 -15.847 -5.286 1.00 16.76 C ATOM 464 N THR A 53 -25.666 -14.916 -1.524 1.00 15.87 N ATOM 465 CA THR A 53 -26.562 -13.861 -1.984 1.00 13.02 C ATOM 466 C THR A 53 -26.543 -12.705 -1.000 1.00 12.84 C ATOM 467 O THR A 53 -26.952 -12.872 0.139 1.00 10.83 O ATOM 468 CB THR A 53 -27.982 -14.398 -2.025 1.00 16.99 C ATOM 469 OG1 THR A 53 -28.008 -15.590 -2.823 1.00 15.61 O ATOM 470 CG2 THR A 53 -28.909 -13.376 -2.608 1.00 15.50 C ATOM 471 HG1 THR A 53 -27.406 -16.267 -2.423 1.00 0.00 H ATOM 472 H THR A 53 -25.802 -15.293 -0.564 1.00 0.00 H ATOM 473 N TRP A 54 -26.068 -11.543 -1.437 1.00 10.95 N ATOM 474 CA TRP A 54 -26.015 -10.358 -0.575 1.00 10.65 C ATOM 475 C TRP A 54 -27.237 -9.473 -0.788 1.00 10.60 C ATOM 476 O TRP A 54 -27.911 -9.565 -1.818 1.00 11.69 O ATOM 477 CB TRP A 54 -24.722 -9.559 -0.834 1.00 10.50 C ATOM 478 CG TRP A 54 -23.494 -10.325 -0.451 1.00 11.93 C ATOM 479 CD1 TRP A 54 -22.848 -11.269 -1.204 1.00 12.19 C ATOM 480 CD2 TRP A 54 -22.779 -10.245 0.785 1.00 9.79 C ATOM 481 NE1 TRP A 54 -21.766 -11.766 -0.515 1.00 12.01 N ATOM 482 CE2 TRP A 54 -21.703 -11.150 0.711 1.00 11.63 C ATOM 483 CE3 TRP A 54 -22.933 -9.478 1.951 1.00 9.93 C ATOM 484 CZ2 TRP A 54 -20.790 -11.320 1.755 1.00 10.27 C ATOM 485 CZ3 TRP A 54 -22.031 -9.652 2.990 1.00 11.71 C ATOM 486 CH2 TRP A 54 -20.971 -10.562 2.882 1.00 11.68 C ATOM 487 HE1 TRP A 54 -21.105 -12.489 -0.865 1.00 0.00 H ATOM 488 H TRP A 54 -25.725 -11.472 -2.416 1.00 0.00 H ATOM 489 N HIS A 55 -27.504 -8.616 0.197 1.00 10.77 N ATOM 490 CA HIS A 55 -28.612 -7.671 0.158 1.00 10.71 C ATOM 491 C HIS A 55 -28.086 -6.390 0.779 1.00 9.92 C ATOM 492 O HIS A 55 -27.326 -6.428 1.757 1.00 7.53 O ATOM 493 CB HIS A 55 -29.803 -8.194 0.981 1.00 8.74 C ATOM 494 CG HIS A 55 -30.143 -9.625 0.707 1.00 12.56 C ATOM 495 ND1 HIS A 55 -31.012 -10.013 -0.295 1.00 9.00 N ATOM 496 CD2 HIS A 55 -29.715 -10.770 1.293 1.00 11.45 C ATOM 497 CE1 HIS A 55 -31.103 -11.328 -0.311 1.00 12.54 C ATOM 498 NE2 HIS A 55 -30.329 -11.816 0.646 1.00 13.60 N ATOM 499 H HIS A 55 -26.890 -8.622 1.036 1.00 0.00 H ATOM 500 N CYS A 56 -28.456 -5.251 0.204 1.00 8.22 N ATOM 501 CA CYS A 56 -27.915 -3.993 0.688 1.00 9.07 C ATOM 502 C CYS A 56 -28.990 -2.911 0.812 1.00 9.04 C ATOM 503 O CYS A 56 -29.804 -2.705 -0.101 1.00 10.34 O ATOM 504 CB CYS A 56 -26.748 -3.544 -0.204 1.00 7.47 C ATOM 505 SG CYS A 56 -25.908 -2.054 0.406 1.00 12.28 S ATOM 506 H CYS A 56 -29.129 -5.260 -0.588 1.00 0.00 H ATOM 507 N ILE A 57 -28.998 -2.246 1.964 1.00 9.07 N ATOM 508 CA ILE A 57 -29.929 -1.159 2.240 1.00 8.56 C ATOM 509 C ILE A 57 -29.080 0.069 2.567 1.00 10.27 C ATOM 510 O ILE A 57 -28.093 -0.022 3.303 1.00 9.96 O ATOM 511 CB ILE A 57 -30.920 -1.483 3.411 1.00 8.83 C ATOM 512 CG1 ILE A 57 -31.815 -2.680 3.085 1.00 14.50 C ATOM 513 CG2 ILE A 57 -31.835 -0.294 3.677 1.00 11.56 C ATOM 514 CD1 ILE A 57 -31.188 -4.019 3.305 1.00 20.45 C ATOM 515 H ILE A 57 -28.311 -2.513 2.698 1.00 0.00 H ATOM 516 N VAL A 58 -29.451 1.203 1.974 1.00 10.14 N ATOM 517 CA VAL A 58 -28.726 2.463 2.103 1.00 9.67 C ATOM 518 C VAL A 58 -29.747 3.567 2.416 1.00 10.03 C ATOM 519 O VAL A 58 -30.695 3.777 1.664 1.00 11.12 O ATOM 520 CB VAL A 58 -28.007 2.806 0.768 1.00 10.49 C ATOM 521 CG1 VAL A 58 -27.395 4.204 0.821 1.00 11.01 C ATOM 522 CG2 VAL A 58 -26.934 1.759 0.443 1.00 11.70 C ATOM 523 H VAL A 58 -30.308 1.189 1.384 1.00 0.00 H ATOM 524 N GLY A 59 -29.575 4.286 3.518 1.00 10.14 N ATOM 525 CA GLY A 59 -30.574 5.296 3.837 1.00 13.16 C ATOM 526 C GLY A 59 -30.239 6.133 5.050 1.00 13.07 C ATOM 527 O GLY A 59 -29.232 5.903 5.708 1.00 12.52 O ATOM 528 H GLY A 59 -28.752 4.133 4.135 1.00 0.00 H ATOM 529 N ARG A 60 -31.094 7.105 5.344 1.00 14.19 N ATOM 530 CA ARG A 60 -30.899 7.980 6.492 1.00 13.00 C ATOM 531 C ARG A 60 -31.883 7.685 7.616 1.00 13.35 C ATOM 532 O ARG A 60 -31.640 8.038 8.777 1.00 13.57 O ATOM 533 CB ARG A 60 -31.093 9.435 6.063 1.00 18.56 C ATOM 534 CG ARG A 60 -29.949 10.047 5.299 1.00 24.52 C ATOM 535 CD ARG A 60 -30.366 11.403 4.736 1.00 31.73 C ATOM 536 NE ARG A 60 -31.305 11.253 3.623 1.00 41.23 N ATOM 537 CZ ARG A 60 -32.619 11.462 3.699 1.00 38.28 C ATOM 538 NH1 ARG A 60 -33.180 11.852 4.842 1.00 32.80 N ATOM 539 NH2 ARG A 60 -33.372 11.285 2.620 1.00 34.92 N ATOM 540 HE ARG A 60 -30.917 10.961 2.703 1.00 0.00 H ATOM 541 HH12 ARG A 60 -34.207 12.012 4.889 1.00 0.00 H ATOM 542 HH11 ARG A 60 -32.592 11.997 5.687 1.00 0.00 H ATOM 543 HH22 ARG A 60 -34.398 11.446 2.670 1.00 0.00 H ATOM 544 HH21 ARG A 60 -32.936 10.986 1.725 1.00 0.00 H ATOM 545 H ARG A 60 -31.927 7.246 4.737 1.00 0.00 H ATOM 546 N ASN A 61 -33.017 7.083 7.270 1.00 12.46 N ATOM 547 CA ASN A 61 -34.044 6.770 8.265 1.00 12.59 C ATOM 548 C ASN A 61 -34.686 5.414 8.000 1.00 12.25 C ATOM 549 O ASN A 61 -35.610 5.308 7.191 1.00 10.73 O ATOM 550 CB ASN A 61 -35.134 7.857 8.275 1.00 14.45 C ATOM 551 CG ASN A 61 -34.636 9.197 8.833 1.00 16.94 C ATOM 552 OD1 ASN A 61 -34.314 9.307 10.014 1.00 19.10 O ATOM 553 ND2 ASN A 61 -34.587 10.216 7.982 1.00 18.03 N ATOM 554 HD22 ASN A 61 -34.869 10.079 6.990 1.00 0.00 H ATOM 555 HD21 ASN A 61 -34.267 11.150 8.308 1.00 0.00 H ATOM 556 H ASN A 61 -33.177 6.830 6.274 1.00 0.00 H ATOM 557 N PHE A 62 -34.178 4.376 8.659 1.00 11.34 N ATOM 558 CA PHE A 62 -34.743 3.041 8.532 1.00 12.14 C ATOM 559 C PHE A 62 -34.294 2.135 9.665 1.00 10.81 C ATOM 560 O PHE A 62 -33.239 2.348 10.276 1.00 10.76 O ATOM 561 CB PHE A 62 -34.409 2.406 7.169 1.00 10.68 C ATOM 562 CG PHE A 62 -32.965 1.981 7.016 1.00 9.95 C ATOM 563 CD1 PHE A 62 -32.569 0.683 7.335 1.00 11.60 C ATOM 564 CD2 PHE A 62 -32.018 2.873 6.534 1.00 12.08 C ATOM 565 CE1 PHE A 62 -31.255 0.294 7.197 1.00 10.39 C ATOM 566 CE2 PHE A 62 -30.698 2.494 6.390 1.00 11.70 C ATOM 567 CZ PHE A 62 -30.313 1.200 6.712 1.00 11.22 C ATOM 568 H PHE A 62 -33.357 4.522 9.280 1.00 0.00 H ATOM 569 N GLY A 63 -35.129 1.142 9.959 1.00 9.50 N ATOM 570 CA GLY A 63 -34.772 0.078 10.879 1.00 11.15 C ATOM 571 C GLY A 63 -34.924 -1.231 10.133 1.00 10.52 C ATOM 572 O GLY A 63 -35.606 -1.284 9.101 1.00 11.35 O ATOM 573 H GLY A 63 -36.069 1.128 9.515 1.00 0.00 H ATOM 574 N SER A 64 -34.277 -2.283 10.615 1.00 8.46 N ATOM 575 CA SER A 64 -34.331 -3.567 9.923 1.00 9.74 C ATOM 576 C SER A 64 -34.317 -4.696 10.922 1.00 13.24 C ATOM 577 O SER A 64 -33.855 -4.526 12.060 1.00 10.92 O ATOM 578 CB SER A 64 -33.141 -3.737 8.971 1.00 9.76 C ATOM 579 OG SER A 64 -31.938 -3.991 9.688 1.00 11.89 O ATOM 580 HG SER A 64 -31.751 -3.232 10.295 1.00 0.00 H ATOM 581 H SER A 64 -33.727 -2.193 11.493 1.00 0.00 H ATOM 582 N TYR A 65 -34.846 -5.841 10.498 1.00 9.44 N ATOM 583 CA TYR A 65 -34.621 -7.097 11.198 1.00 9.47 C ATOM 584 C TYR A 65 -34.451 -8.202 10.150 1.00 9.84 C ATOM 585 O TYR A 65 -35.334 -8.435 9.320 1.00 10.31 O ATOM 586 CB TYR A 65 -35.758 -7.413 12.171 1.00 10.60 C ATOM 587 CG TYR A 65 -35.313 -8.359 13.261 1.00 11.42 C ATOM 588 CD1 TYR A 65 -34.471 -7.923 14.278 1.00 13.45 C ATOM 589 CD2 TYR A 65 -35.714 -9.683 13.265 1.00 12.14 C ATOM 590 CE1 TYR A 65 -34.038 -8.792 15.282 1.00 13.46 C ATOM 591 CE2 TYR A 65 -35.286 -10.559 14.262 1.00 13.02 C ATOM 592 CZ TYR A 65 -34.452 -10.104 15.262 1.00 15.59 C ATOM 593 OH TYR A 65 -34.026 -10.964 16.255 1.00 15.44 O ATOM 594 HH TYR A 65 -33.439 -10.475 16.884 1.00 0.00 H ATOM 595 H TYR A 65 -35.437 -5.838 9.642 1.00 0.00 H ATOM 596 N VAL A 66 -33.285 -8.834 10.154 1.00 8.47 N ATOM 597 CA VAL A 66 -32.903 -9.715 9.057 1.00 8.42 C ATOM 598 C VAL A 66 -32.267 -10.971 9.614 1.00 12.91 C ATOM 599 O VAL A 66 -31.993 -11.067 10.805 1.00 11.85 O ATOM 600 CB VAL A 66 -31.874 -9.036 8.113 1.00 10.57 C ATOM 601 CG1 VAL A 66 -32.368 -7.670 7.640 1.00 10.41 C ATOM 602 CG2 VAL A 66 -30.518 -8.889 8.813 1.00 10.49 C ATOM 603 H VAL A 66 -32.633 -8.699 10.953 1.00 0.00 H ATOM 604 N THR A 67 -32.050 -11.948 8.750 1.00 10.85 N ATOM 605 CA THR A 67 -31.254 -13.100 9.137 1.00 10.93 C ATOM 606 C THR A 67 -30.022 -13.123 8.251 1.00 13.45 C ATOM 607 O THR A 67 -30.134 -13.030 7.030 1.00 15.19 O ATOM 608 CB THR A 67 -32.045 -14.399 8.986 1.00 14.52 C ATOM 609 OG1 THR A 67 -33.088 -14.443 9.972 1.00 17.15 O ATOM 610 CG2 THR A 67 -31.138 -15.601 9.186 1.00 13.92 C ATOM 611 HG1 THR A 67 -32.687 -14.404 10.876 1.00 0.00 H ATOM 612 H THR A 67 -32.450 -11.892 7.792 1.00 0.00 H ATOM 613 N HIS A 68 -28.842 -13.214 8.856 1.00 14.09 N ATOM 614 CA HIS A 68 -27.619 -13.245 8.063 1.00 11.99 C ATOM 615 C HIS A 68 -26.799 -14.489 8.358 1.00 13.25 C ATOM 616 O HIS A 68 -26.873 -15.034 9.464 1.00 11.72 O ATOM 617 CB HIS A 68 -26.772 -11.986 8.300 1.00 10.88 C ATOM 618 CG HIS A 68 -26.213 -11.866 9.681 1.00 12.89 C ATOM 619 ND1 HIS A 68 -25.007 -12.432 10.060 1.00 12.15 N ATOM 620 CD2 HIS A 68 -26.667 -11.208 10.776 1.00 12.48 C ATOM 621 CE1 HIS A 68 -24.757 -12.142 11.319 1.00 13.32 C ATOM 622 NE2 HIS A 68 -25.749 -11.390 11.780 1.00 12.11 N ATOM 623 H HIS A 68 -28.791 -13.263 9.894 1.00 0.00 H ATOM 624 N GLU A 69 -26.030 -14.942 7.367 1.00 10.61 N ATOM 625 CA GLU A 69 -24.995 -15.937 7.633 1.00 14.39 C ATOM 626 C GLU A 69 -23.949 -15.303 8.536 1.00 12.70 C ATOM 627 O GLU A 69 -23.544 -14.150 8.332 1.00 11.00 O ATOM 628 CB GLU A 69 -24.318 -16.407 6.341 1.00 14.83 C ATOM 629 CG GLU A 69 -25.194 -17.253 5.449 1.00 19.46 C ATOM 630 CD GLU A 69 -24.528 -17.554 4.107 1.00 26.91 C ATOM 631 OE1 GLU A 69 -23.286 -17.401 4.005 1.00 19.68 O ATOM 632 OE2 GLU A 69 -25.251 -17.932 3.158 1.00 27.65 O ATOM 633 H GLU A 69 -26.168 -14.585 6.400 1.00 0.00 H ATOM 634 N THR A 70 -23.495 -16.049 9.538 1.00 11.36 N ATOM 635 CA THR A 70 -22.477 -15.518 10.433 1.00 11.33 C ATOM 636 C THR A 70 -21.213 -15.182 9.637 1.00 11.85 C ATOM 637 O THR A 70 -20.941 -15.821 8.615 1.00 13.18 O ATOM 638 CB THR A 70 -22.206 -16.500 11.588 1.00 11.97 C ATOM 639 OG1 THR A 70 -21.968 -17.814 11.056 1.00 13.13 O ATOM 640 CG2 THR A 70 -23.428 -16.558 12.487 1.00 12.39 C ATOM 641 HG1 THR A 70 -22.764 -18.113 10.549 1.00 0.00 H ATOM 642 H THR A 70 -23.866 -17.010 9.682 1.00 0.00 H ATOM 643 N ARG A 71 -20.490 -14.155 10.093 1.00 10.09 N ATOM 644 CA ARG A 71 -19.305 -13.591 9.426 1.00 12.50 C ATOM 645 C ARG A 71 -19.635 -12.737 8.201 1.00 11.47 C ATOM 646 O ARG A 71 -18.737 -12.223 7.539 1.00 10.20 O ATOM 647 CB ARG A 71 -18.271 -14.676 9.056 1.00 11.32 C ATOM 648 CG ARG A 71 -17.885 -15.588 10.211 1.00 15.12 C ATOM 649 CD ARG A 71 -17.500 -14.790 11.453 1.00 14.09 C ATOM 650 NE ARG A 71 -16.230 -14.079 11.308 1.00 13.99 N ATOM 651 CZ ARG A 71 -15.850 -13.079 12.097 1.00 15.55 C ATOM 652 NH1 ARG A 71 -16.655 -12.666 13.060 1.00 16.75 N ATOM 653 NH2 ARG A 71 -14.673 -12.493 11.922 1.00 17.02 N ATOM 654 HE ARG A 71 -15.588 -14.372 10.544 1.00 0.00 H ATOM 655 HH12 ARG A 71 -16.364 -11.884 13.681 1.00 0.00 H ATOM 656 HH11 ARG A 71 -17.579 -13.123 13.197 1.00 0.00 H ATOM 657 HH22 ARG A 71 -14.384 -11.711 12.544 1.00 0.00 H ATOM 658 HH21 ARG A 71 -14.039 -12.815 11.163 1.00 0.00 H ATOM 659 H ARG A 71 -20.788 -13.720 10.989 1.00 0.00 H ATOM 660 N HIS A 72 -20.919 -12.563 7.913 1.00 10.79 N ATOM 661 CA HIS A 72 -21.305 -11.806 6.727 1.00 10.51 C ATOM 662 C HIS A 72 -22.392 -10.769 7.021 1.00 10.33 C ATOM 663 O HIS A 72 -23.459 -10.786 6.407 1.00 9.59 O ATOM 664 CB HIS A 72 -21.771 -12.771 5.655 1.00 10.52 C ATOM 665 CG HIS A 72 -20.722 -13.759 5.244 1.00 15.16 C ATOM 666 ND1 HIS A 72 -20.579 -14.992 5.844 1.00 19.14 N ATOM 667 CD2 HIS A 72 -19.736 -13.676 4.317 1.00 20.08 C ATOM 668 CE1 HIS A 72 -19.573 -15.638 5.282 1.00 18.58 C ATOM 669 NE2 HIS A 72 -19.042 -14.862 4.356 1.00 20.98 N ATOM 670 H HIS A 72 -21.650 -12.966 8.533 1.00 0.00 H ATOM 671 N PHE A 73 -22.113 -9.884 7.975 1.00 10.11 N ATOM 672 CA PHE A 73 -23.044 -8.826 8.358 1.00 10.59 C ATOM 673 C PHE A 73 -22.238 -7.604 8.745 1.00 12.55 C ATOM 674 O PHE A 73 -21.314 -7.683 9.562 1.00 11.11 O ATOM 675 CB PHE A 73 -23.933 -9.282 9.530 1.00 12.43 C ATOM 676 CG PHE A 73 -24.718 -8.165 10.193 1.00 13.63 C ATOM 677 CD1 PHE A 73 -25.972 -7.797 9.723 1.00 14.63 C ATOM 678 CD2 PHE A 73 -24.221 -7.526 11.320 1.00 18.01 C ATOM 679 CE1 PHE A 73 -26.704 -6.790 10.346 1.00 11.87 C ATOM 680 CE2 PHE A 73 -24.938 -6.510 11.946 1.00 19.73 C ATOM 681 CZ PHE A 73 -26.184 -6.145 11.463 1.00 15.43 C ATOM 682 H PHE A 73 -21.198 -9.948 8.466 1.00 0.00 H ATOM 683 N ILE A 74 -22.583 -6.471 8.148 1.00 10.60 N ATOM 684 CA ILE A 74 -22.020 -5.197 8.566 1.00 10.44 C ATOM 685 C ILE A 74 -23.072 -4.084 8.450 1.00 12.55 C ATOM 686 O ILE A 74 -23.890 -4.072 7.522 1.00 7.36 O ATOM 687 CB ILE A 74 -20.735 -4.850 7.763 1.00 12.04 C ATOM 688 CG1 ILE A 74 -20.019 -3.648 8.397 1.00 11.79 C ATOM 689 CG2 ILE A 74 -21.059 -4.607 6.275 1.00 7.48 C ATOM 690 CD1 ILE A 74 -18.665 -3.325 7.744 1.00 11.58 C ATOM 691 H ILE A 74 -23.269 -6.494 7.367 1.00 0.00 H ATOM 692 N TYR A 75 -23.054 -3.172 9.421 1.00 11.19 N ATOM 693 CA TYR A 75 -23.950 -2.021 9.458 1.00 11.75 C ATOM 694 C TYR A 75 -23.119 -0.805 9.844 1.00 11.10 C ATOM 695 O TYR A 75 -22.579 -0.751 10.939 1.00 11.99 O ATOM 696 CB TYR A 75 -25.047 -2.242 10.506 1.00 10.39 C ATOM 697 CG TYR A 75 -25.952 -1.048 10.698 1.00 10.05 C ATOM 698 CD1 TYR A 75 -26.589 -0.459 9.617 1.00 9.75 C ATOM 699 CD2 TYR A 75 -26.174 -0.519 11.965 1.00 11.14 C ATOM 700 CE1 TYR A 75 -27.412 0.629 9.782 1.00 11.09 C ATOM 701 CE2 TYR A 75 -26.998 0.576 12.145 1.00 10.72 C ATOM 702 CZ TYR A 75 -27.610 1.144 11.044 1.00 12.16 C ATOM 703 OH TYR A 75 -28.429 2.228 11.214 1.00 12.07 O ATOM 704 HH TYR A 75 -29.179 1.983 11.812 1.00 0.00 H ATOM 705 H TYR A 75 -22.366 -3.286 10.192 1.00 0.00 H ATOM 706 N PHE A 76 -23.014 0.165 8.946 1.00 9.53 N ATOM 707 CA PHE A 76 -22.128 1.297 9.194 1.00 12.74 C ATOM 708 C PHE A 76 -22.618 2.596 8.572 1.00 14.19 C ATOM 709 O PHE A 76 -23.456 2.590 7.669 1.00 14.80 O ATOM 710 CB PHE A 76 -20.711 0.980 8.703 1.00 11.46 C ATOM 711 CG PHE A 76 -20.607 0.734 7.208 1.00 11.98 C ATOM 712 CD1 PHE A 76 -20.102 1.713 6.362 1.00 11.65 C ATOM 713 CD2 PHE A 76 -20.973 -0.493 6.664 1.00 11.03 C ATOM 714 CE1 PHE A 76 -19.979 1.494 4.997 1.00 14.62 C ATOM 715 CE2 PHE A 76 -20.855 -0.728 5.287 1.00 13.40 C ATOM 716 CZ PHE A 76 -20.351 0.269 4.456 1.00 15.56 C ATOM 717 H PHE A 76 -23.564 0.119 8.064 1.00 0.00 H ATOM 718 N TYR A 77 -22.090 3.710 9.070 1.00 14.20 N ATOM 719 CA TYR A 77 -22.314 5.000 8.453 1.00 16.37 C ATOM 720 C TYR A 77 -21.090 5.420 7.660 1.00 18.50 C ATOM 721 O TYR A 77 -19.954 5.191 8.084 1.00 15.43 O ATOM 722 CB TYR A 77 -22.594 6.073 9.504 1.00 16.07 C ATOM 723 CG TYR A 77 -24.038 6.186 9.922 1.00 16.47 C ATOM 724 CD1 TYR A 77 -24.852 7.184 9.405 1.00 17.05 C ATOM 725 CD2 TYR A 77 -24.587 5.289 10.831 1.00 16.44 C ATOM 726 CE1 TYR A 77 -26.174 7.297 9.794 1.00 16.63 C ATOM 727 CE2 TYR A 77 -25.913 5.389 11.225 1.00 17.31 C ATOM 728 CZ TYR A 77 -26.695 6.396 10.707 1.00 16.02 C ATOM 729 OH TYR A 77 -28.014 6.496 11.096 1.00 16.00 O ATOM 730 HH TYR A 77 -28.435 7.266 10.637 1.00 0.00 H ATOM 731 H TYR A 77 -21.501 3.653 9.925 1.00 0.00 H ATOM 732 N LEU A 78 -21.342 6.012 6.497 1.00 15.73 N ATOM 733 CA LEU A 78 -20.335 6.772 5.759 1.00 19.38 C ATOM 734 C LEU A 78 -20.902 8.173 5.660 1.00 21.86 C ATOM 735 O LEU A 78 -21.863 8.409 4.928 1.00 22.75 O ATOM 736 CB LEU A 78 -20.101 6.197 4.360 1.00 23.28 C ATOM 737 CG LEU A 78 -18.929 5.241 4.151 1.00 23.37 C ATOM 738 CD1 LEU A 78 -18.806 4.810 2.686 1.00 22.59 C ATOM 739 CD2 LEU A 78 -17.640 5.890 4.623 1.00 23.68 C ATOM 740 H LEU A 78 -22.298 5.931 6.094 1.00 0.00 H ATOM 741 N GLY A 79 -20.331 9.098 6.422 1.00 26.06 N ATOM 742 CA GLY A 79 -20.928 10.411 6.552 1.00 27.84 C ATOM 743 C GLY A 79 -22.283 10.295 7.228 1.00 26.13 C ATOM 744 O GLY A 79 -22.402 9.692 8.299 1.00 25.11 O ATOM 745 H GLY A 79 -19.450 8.878 6.929 1.00 0.00 H ATOM 746 N GLN A 80 -23.306 10.855 6.594 1.00 24.19 N ATOM 747 CA GLN A 80 -24.659 10.824 7.140 1.00 29.53 C ATOM 748 C GLN A 80 -25.498 9.688 6.549 1.00 25.84 C ATOM 749 O GLN A 80 -26.710 9.626 6.759 1.00 25.56 O ATOM 750 CB GLN A 80 -25.358 12.166 6.905 1.00 33.26 C ATOM 751 CG GLN A 80 -24.608 13.348 7.495 1.00 37.67 C ATOM 752 CD GLN A 80 -24.180 13.085 8.923 1.00 41.05 C ATOM 753 OE1 GLN A 80 -25.015 12.958 9.817 1.00 48.71 O ATOM 754 NE2 GLN A 80 -22.872 12.977 9.142 1.00 40.85 N ATOM 755 HE22 GLN A 80 -22.202 13.092 8.355 1.00 0.00 H ATOM 756 HE21 GLN A 80 -22.520 12.778 10.100 1.00 0.00 H ATOM 757 H GLN A 80 -23.139 11.329 5.683 1.00 0.00 H ATOM 758 N VAL A 81 -24.848 8.787 5.823 1.00 19.76 N ATOM 759 CA VAL A 81 -25.554 7.694 5.157 1.00 19.52 C ATOM 760 C VAL A 81 -25.334 6.374 5.892 1.00 15.32 C ATOM 761 O VAL A 81 -24.191 5.997 6.142 1.00 18.00 O ATOM 762 CB VAL A 81 -25.042 7.523 3.720 1.00 20.81 C ATOM 763 CG1 VAL A 81 -25.964 6.613 2.947 1.00 18.65 C ATOM 764 CG2 VAL A 81 -24.914 8.876 3.031 1.00 29.42 C ATOM 765 H VAL A 81 -23.815 8.860 5.726 1.00 0.00 H ATOM 766 N ALA A 82 -26.412 5.660 6.227 1.00 12.49 N ATOM 767 CA ALA A 82 -26.274 4.346 6.861 1.00 12.39 C ATOM 768 C ALA A 82 -26.337 3.253 5.807 1.00 12.34 C ATOM 769 O ALA A 82 -27.121 3.337 4.862 1.00 11.61 O ATOM 770 CB ALA A 82 -27.347 4.117 7.916 1.00 12.27 C ATOM 771 H ALA A 82 -27.361 6.041 6.036 1.00 0.00 H ATOM 772 N ILE A 83 -25.514 2.226 5.976 1.00 10.91 N ATOM 773 CA ILE A 83 -25.447 1.134 5.015 1.00 13.13 C ATOM 774 C ILE A 83 -25.522 -0.191 5.748 1.00 12.11 C ATOM 775 O ILE A 83 -24.737 -0.460 6.670 1.00 11.45 O ATOM 776 CB ILE A 83 -24.155 1.203 4.190 1.00 13.00 C ATOM 777 CG1 ILE A 83 -24.136 2.496 3.379 1.00 15.82 C ATOM 778 CG2 ILE A 83 -24.042 -0.004 3.258 1.00 14.54 C ATOM 779 CD1 ILE A 83 -22.766 2.961 3.003 1.00 19.15 C ATOM 780 H ILE A 83 -24.901 2.200 6.816 1.00 0.00 H ATOM 781 N LEU A 84 -26.478 -1.013 5.343 1.00 8.73 N ATOM 782 CA LEU A 84 -26.631 -2.343 5.905 1.00 9.13 C ATOM 783 C LEU A 84 -26.295 -3.320 4.788 1.00 9.60 C ATOM 784 O LEU A 84 -26.886 -3.236 3.710 1.00 10.00 O ATOM 785 CB LEU A 84 -28.077 -2.549 6.357 1.00 8.15 C ATOM 786 CG LEU A 84 -28.503 -4.006 6.582 1.00 10.57 C ATOM 787 CD1 LEU A 84 -27.674 -4.631 7.684 1.00 10.69 C ATOM 788 CD2 LEU A 84 -29.992 -4.110 6.894 1.00 12.68 C ATOM 789 H LEU A 84 -27.137 -0.697 4.603 1.00 0.00 H ATOM 790 N LEU A 85 -25.353 -4.227 5.032 1.00 7.74 N ATOM 791 CA LEU A 85 -24.938 -5.181 3.998 1.00 11.08 C ATOM 792 C LEU A 85 -24.774 -6.564 4.612 1.00 12.73 C ATOM 793 O LEU A 85 -24.023 -6.746 5.574 1.00 9.74 O ATOM 794 CB LEU A 85 -23.641 -4.697 3.326 1.00 8.06 C ATOM 795 CG LEU A 85 -22.945 -5.673 2.374 1.00 8.82 C ATOM 796 CD1 LEU A 85 -23.808 -5.891 1.125 1.00 8.51 C ATOM 797 CD2 LEU A 85 -21.549 -5.153 2.020 1.00 11.20 C ATOM 798 H LEU A 85 -24.904 -4.260 5.970 1.00 0.00 H ATOM 799 N PHE A 86 -25.510 -7.546 4.099 1.00 6.51 N ATOM 800 CA PHE A 86 -25.459 -8.870 4.701 1.00 10.16 C ATOM 801 C PHE A 86 -25.756 -9.952 3.681 1.00 11.03 C ATOM 802 O PHE A 86 -26.393 -9.689 2.655 1.00 9.14 O ATOM 803 CB PHE A 86 -26.442 -8.957 5.878 1.00 7.87 C ATOM 804 CG PHE A 86 -27.886 -8.910 5.466 1.00 8.86 C ATOM 805 CD1 PHE A 86 -28.512 -7.695 5.208 1.00 8.44 C ATOM 806 CD2 PHE A 86 -28.628 -10.084 5.350 1.00 9.06 C ATOM 807 CE1 PHE A 86 -29.844 -7.652 4.829 1.00 9.62 C ATOM 808 CE2 PHE A 86 -29.959 -10.051 4.972 1.00 9.56 C ATOM 809 CZ PHE A 86 -30.575 -8.836 4.709 1.00 9.16 C ATOM 810 H PHE A 86 -26.118 -7.369 3.274 1.00 0.00 H ATOM 811 N LYS A 87 -25.285 -11.161 3.978 1.00 10.10 N ATOM 812 CA LYS A 87 -25.435 -12.314 3.108 1.00 11.81 C ATOM 813 C LYS A 87 -26.496 -13.240 3.705 1.00 14.20 C ATOM 814 O LYS A 87 -26.448 -13.576 4.891 1.00 12.54 O ATOM 815 CB LYS A 87 -24.082 -13.042 2.994 1.00 10.31 C ATOM 816 CG LYS A 87 -23.983 -14.108 1.900 1.00 13.55 C ATOM 817 CD LYS A 87 -22.520 -14.568 1.772 1.00 14.89 C ATOM 818 CE LYS A 87 -22.341 -15.667 0.727 1.00 19.06 C ATOM 819 NZ LYS A 87 -22.926 -16.961 1.164 1.00 18.71 N ATOM 820 HZ1 LYS A 87 -22.462 -17.271 2.041 1.00 0.00 H ATOM 821 HZ2 LYS A 87 -23.945 -16.840 1.334 1.00 0.00 H ATOM 822 HZ3 LYS A 87 -22.779 -17.675 0.422 1.00 0.00 H ATOM 823 H LYS A 87 -24.783 -11.286 4.880 1.00 0.00 H ATOM 824 N SER A 88 -27.473 -13.613 2.888 1.00 12.22 N ATOM 825 CA SER A 88 -28.497 -14.580 3.270 1.00 19.14 C ATOM 826 C SER A 88 -28.980 -15.283 2.016 1.00 22.32 C ATOM 827 O SER A 88 -29.647 -14.662 1.188 1.00 18.41 O ATOM 828 CB SER A 88 -29.693 -13.889 3.895 1.00 19.30 C ATOM 829 OG SER A 88 -30.690 -14.852 4.214 1.00 23.00 O ATOM 830 HG SER A 88 -30.974 -15.318 3.388 1.00 0.00 H ATOM 831 H SER A 88 -27.510 -13.199 1.935 1.00 0.00 H TER 832 SER A 88 ATOM 833 N ALA B 6 -52.750 2.253 3.007 1.00 33.32 N ATOM 834 CA ALA B 6 -51.840 1.242 2.456 1.00 30.16 C ATOM 835 C ALA B 6 -51.701 1.367 0.942 1.00 30.66 C ATOM 836 O ALA B 6 -52.674 1.184 0.211 1.00 28.33 O ATOM 837 CB ALA B 6 -52.304 -0.157 2.831 1.00 29.44 C ATOM 838 HN3 ALA B 6 -53.692 2.138 2.582 1.00 0.00 H ATOM 839 HN2 ALA B 6 -52.384 3.202 2.790 1.00 0.00 H ATOM 840 HN1 ALA B 6 -52.816 2.133 4.038 1.00 0.00 H ATOM 841 N VAL B 7 -50.496 1.680 0.468 1.00 23.63 N ATOM 842 CA VAL B 7 -50.250 1.768 -0.971 1.00 26.26 C ATOM 843 C VAL B 7 -49.162 0.785 -1.399 1.00 24.59 C ATOM 844 O VAL B 7 -48.009 0.911 -0.985 1.00 21.84 O ATOM 845 CB VAL B 7 -49.838 3.195 -1.400 1.00 21.92 C ATOM 846 CG1 VAL B 7 -49.562 3.242 -2.900 1.00 25.88 C ATOM 847 CG2 VAL B 7 -50.917 4.192 -1.034 1.00 27.15 C ATOM 848 H VAL B 7 -49.717 1.865 1.132 1.00 0.00 H ATOM 849 N ILE B 8 -49.532 -0.190 -2.228 1.00 20.72 N ATOM 850 CA ILE B 8 -48.581 -1.192 -2.703 1.00 20.15 C ATOM 851 C ILE B 8 -47.792 -0.631 -3.884 1.00 24.23 C ATOM 852 O ILE B 8 -48.380 -0.277 -4.906 1.00 27.24 O ATOM 853 CB ILE B 8 -49.294 -2.485 -3.141 1.00 21.43 C ATOM 854 CG1 ILE B 8 -50.308 -2.934 -2.090 1.00 25.76 C ATOM 855 CG2 ILE B 8 -48.281 -3.594 -3.430 1.00 21.89 C ATOM 856 CD1 ILE B 8 -49.685 -3.393 -0.801 1.00 22.57 C ATOM 857 H ILE B 8 -50.521 -0.239 -2.545 1.00 0.00 H ATOM 858 N LYS B 9 -46.467 -0.561 -3.750 1.00 17.00 N ATOM 859 CA LYS B 9 -45.621 0.039 -4.779 1.00 18.03 C ATOM 860 C LYS B 9 -45.070 -1.001 -5.739 1.00 23.31 C ATOM 861 O LYS B 9 -44.951 -0.755 -6.941 1.00 20.11 O ATOM 862 CB LYS B 9 -44.468 0.815 -4.143 1.00 21.21 C ATOM 863 CG LYS B 9 -44.902 2.068 -3.407 1.00 24.11 C ATOM 864 CD LYS B 9 -45.380 3.127 -4.394 1.00 27.98 C ATOM 865 CE LYS B 9 -45.897 4.369 -3.674 1.00 32.90 C ATOM 866 NZ LYS B 9 -45.168 5.601 -4.088 1.00 37.28 N ATOM 867 HZ1 LYS B 9 -44.157 5.495 -3.867 1.00 0.00 H ATOM 868 HZ2 LYS B 9 -45.287 5.746 -5.111 1.00 0.00 H ATOM 869 HZ3 LYS B 9 -45.552 6.419 -3.574 1.00 0.00 H ATOM 870 H LYS B 9 -46.024 -0.944 -2.890 1.00 0.00 H ATOM 871 N ASN B 10 -44.731 -2.166 -5.202 1.00 19.31 N ATOM 872 CA ASN B 10 -44.173 -3.236 -6.011 1.00 19.85 C ATOM 873 C ASN B 10 -44.359 -4.555 -5.292 1.00 22.21 C ATOM 874 O ASN B 10 -43.991 -4.689 -4.119 1.00 20.11 O ATOM 875 CB ASN B 10 -42.690 -2.970 -6.288 1.00 21.30 C ATOM 876 CG ASN B 10 -42.053 -4.015 -7.191 1.00 29.81 C ATOM 877 OD1 ASN B 10 -42.708 -4.948 -7.659 1.00 35.86 O ATOM 878 ND2 ASN B 10 -40.761 -3.850 -7.450 1.00 30.30 N ATOM 879 HD22 ASN B 10 -40.246 -3.048 -7.034 1.00 0.00 H ATOM 880 HD21 ASN B 10 -40.265 -4.523 -8.069 1.00 0.00 H ATOM 881 H ASN B 10 -44.867 -2.316 -4.182 1.00 0.00 H ATOM 882 N ALA B 11 -44.934 -5.534 -5.985 1.00 21.76 N ATOM 883 CA ALA B 11 -45.170 -6.837 -5.368 1.00 17.34 C ATOM 884 C ALA B 11 -44.933 -8.001 -6.320 1.00 26.61 C ATOM 885 O ALA B 11 -45.314 -7.953 -7.489 1.00 24.60 O ATOM 886 CB ALA B 11 -46.574 -6.909 -4.797 1.00 19.15 C ATOM 887 H ALA B 11 -45.217 -5.371 -6.972 1.00 0.00 H ATOM 888 N ASP B 12 -44.288 -9.042 -5.803 1.00 18.98 N ATOM 889 CA ASP B 12 -44.264 -10.343 -6.447 1.00 20.14 C ATOM 890 C ASP B 12 -44.728 -11.255 -5.335 1.00 19.93 C ATOM 891 O ASP B 12 -43.913 -11.777 -4.593 1.00 18.76 O ATOM 892 CB ASP B 12 -42.847 -10.720 -6.893 1.00 18.47 C ATOM 893 CG ASP B 12 -42.760 -12.146 -7.456 1.00 23.75 C ATOM 894 OD1 ASP B 12 -41.654 -12.726 -7.455 1.00 25.42 O ATOM 895 OD2 ASP B 12 -43.797 -12.693 -7.887 1.00 26.84 O ATOM 896 H ASP B 12 -43.781 -8.920 -4.903 1.00 0.00 H ATOM 897 N MET B 13 -46.042 -11.401 -5.199 1.00 19.35 N ATOM 898 CA MET B 13 -46.633 -12.052 -4.041 1.00 21.95 C ATOM 899 C MET B 13 -48.121 -12.235 -4.305 1.00 22.56 C ATOM 900 O MET B 13 -48.743 -11.399 -4.966 1.00 24.93 O ATOM 901 CB MET B 13 -46.434 -11.161 -2.809 1.00 21.83 C ATOM 902 CG MET B 13 -46.876 -11.756 -1.486 1.00 20.13 C ATOM 903 SD MET B 13 -46.473 -10.662 -0.087 1.00 20.18 S ATOM 904 CE MET B 13 -44.754 -11.105 0.196 1.00 20.35 C ATOM 905 H MET B 13 -46.668 -11.038 -5.946 1.00 0.00 H ATOM 906 N SER B 14 -48.692 -13.323 -3.802 1.00 24.58 N ATOM 907 CA SER B 14 -50.123 -13.557 -3.961 1.00 26.71 C ATOM 908 C SER B 14 -50.914 -12.418 -3.324 1.00 31.12 C ATOM 909 O SER B 14 -50.458 -11.801 -2.354 1.00 25.68 O ATOM 910 CB SER B 14 -50.528 -14.877 -3.317 1.00 28.11 C ATOM 911 OG SER B 14 -50.631 -14.748 -1.915 1.00 30.15 O ATOM 912 HG SER B 14 -50.895 -15.618 -1.523 1.00 0.00 H ATOM 913 H SER B 14 -48.112 -14.017 -3.288 1.00 0.00 H ATOM 914 N GLU B 15 -52.091 -12.136 -3.872 1.00 31.69 N ATOM 915 CA GLU B 15 -52.971 -11.100 -3.333 1.00 33.45 C ATOM 916 C GLU B 15 -53.241 -11.353 -1.849 1.00 33.76 C ATOM 917 O GLU B 15 -53.293 -10.420 -1.041 1.00 33.76 O ATOM 918 CB GLU B 15 -54.292 -11.094 -4.105 1.00 38.94 C ATOM 919 CG GLU B 15 -55.119 -9.832 -3.915 1.00 45.43 C ATOM 920 CD GLU B 15 -54.563 -8.649 -4.690 1.00 50.60 C ATOM 921 OE1 GLU B 15 -53.769 -8.871 -5.632 1.00 50.66 O ATOM 922 OE2 GLU B 15 -54.924 -7.497 -4.359 1.00 49.77 O ATOM 923 H GLU B 15 -52.396 -12.669 -4.711 1.00 0.00 H ATOM 924 N GLU B 16 -53.389 -12.631 -1.507 1.00 31.10 N ATOM 925 CA GLU B 16 -53.674 -13.064 -0.143 1.00 31.31 C ATOM 926 C GLU B 16 -52.537 -12.750 0.828 1.00 30.95 C ATOM 927 O GLU B 16 -52.771 -12.240 1.933 1.00 30.58 O ATOM 928 CB GLU B 16 -53.956 -14.569 -0.114 1.00 34.02 C ATOM 929 CG GLU B 16 -55.318 -14.990 -0.680 1.00 43.54 C ATOM 930 CD GLU B 16 -55.413 -14.929 -2.209 1.00 47.04 C ATOM 931 OE1 GLU B 16 -54.373 -14.771 -2.899 1.00 37.26 O ATOM 932 OE2 GLU B 16 -56.550 -15.049 -2.724 1.00 47.10 O ATOM 933 H GLU B 16 -53.297 -13.356 -2.247 1.00 0.00 H ATOM 934 N MET B 17 -51.310 -13.083 0.428 1.00 28.74 N ATOM 935 CA MET B 17 -50.142 -12.822 1.264 1.00 26.70 C ATOM 936 C MET B 17 -49.860 -11.327 1.375 1.00 24.41 C ATOM 937 O MET B 17 -49.372 -10.866 2.407 1.00 26.93 O ATOM 938 CB MET B 17 -48.909 -13.580 0.755 1.00 24.86 C ATOM 939 CG MET B 17 -48.950 -15.074 1.029 1.00 31.31 C ATOM 940 SD MET B 17 -47.399 -15.932 0.671 1.00 40.94 S ATOM 941 CE MET B 17 -46.213 -14.626 1.015 1.00 13.53 C ATOM 942 H MET B 17 -51.182 -13.538 -0.498 1.00 0.00 H ATOM 943 N GLN B 18 -50.180 -10.580 0.320 1.00 22.10 N ATOM 944 CA GLN B 18 -50.073 -9.126 0.341 1.00 26.28 C ATOM 945 C GLN B 18 -50.955 -8.539 1.432 1.00 30.05 C ATOM 946 O GLN B 18 -50.540 -7.624 2.144 1.00 21.55 O ATOM 947 CB GLN B 18 -50.475 -8.521 -1.009 1.00 26.97 C ATOM 948 CG GLN B 18 -49.483 -8.755 -2.146 1.00 23.07 C ATOM 949 CD GLN B 18 -49.884 -8.048 -3.422 1.00 27.29 C ATOM 950 OE1 GLN B 18 -50.391 -6.924 -3.395 1.00 24.83 O ATOM 951 NE2 GLN B 18 -49.655 -8.701 -4.553 1.00 25.16 N ATOM 952 HE22 GLN B 18 -49.225 -9.648 -4.529 1.00 0.00 H ATOM 953 HE21 GLN B 18 -49.905 -8.266 -5.464 1.00 0.00 H ATOM 954 H GLN B 18 -50.517 -11.048 -0.546 1.00 0.00 H ATOM 955 N GLN B 19 -52.183 -9.048 1.534 1.00 27.67 N ATOM 956 CA GLN B 19 -53.109 -8.617 2.580 1.00 31.21 C ATOM 957 C GLN B 19 -52.530 -8.909 3.957 1.00 29.84 C ATOM 958 O GLN B 19 -52.615 -8.083 4.870 1.00 27.14 O ATOM 959 CB GLN B 19 -54.469 -9.313 2.434 1.00 32.08 C ATOM 960 CG GLN B 19 -55.532 -8.772 3.379 1.00 37.73 C ATOM 961 CD GLN B 19 -55.717 -7.267 3.238 1.00 44.35 C ATOM 962 OE1 GLN B 19 -56.089 -6.774 2.170 1.00 44.40 O ATOM 963 NE2 GLN B 19 -55.442 -6.529 4.313 1.00 36.78 N ATOM 964 HE22 GLN B 19 -55.131 -6.988 5.193 1.00 0.00 H ATOM 965 HE21 GLN B 19 -55.538 -5.494 4.272 1.00 0.00 H ATOM 966 H GLN B 19 -52.490 -9.770 0.852 1.00 0.00 H ATOM 967 N ASP B 20 -51.936 -10.088 4.102 1.00 25.01 N ATOM 968 CA ASP B 20 -51.348 -10.492 5.368 1.00 25.84 C ATOM 969 C ASP B 20 -50.167 -9.586 5.749 1.00 24.85 C ATOM 970 O ASP B 20 -50.001 -9.236 6.916 1.00 21.13 O ATOM 971 CB ASP B 20 -50.917 -11.957 5.290 1.00 28.34 C ATOM 972 CG ASP B 20 -50.706 -12.583 6.654 1.00 36.62 C ATOM 973 OD1 ASP B 20 -51.407 -12.200 7.620 1.00 42.66 O ATOM 974 OD2 ASP B 20 -49.835 -13.470 6.758 1.00 41.42 O ATOM 975 H ASP B 20 -51.891 -10.737 3.291 1.00 0.00 H ATOM 976 N ALA B 21 -49.352 -9.209 4.767 1.00 21.50 N ATOM 977 CA ALA B 21 -48.237 -8.286 5.006 1.00 20.37 C ATOM 978 C ALA B 21 -48.736 -6.930 5.508 1.00 20.85 C ATOM 979 O ALA B 21 -48.177 -6.348 6.443 1.00 18.45 O ATOM 980 CB ALA B 21 -47.412 -8.113 3.735 1.00 22.01 C ATOM 981 H ALA B 21 -49.509 -9.577 3.807 1.00 0.00 H ATOM 982 N VAL B 22 -49.783 -6.424 4.868 1.00 18.08 N ATOM 983 CA VAL B 22 -50.402 -5.157 5.270 1.00 20.78 C ATOM 984 C VAL B 22 -50.988 -5.235 6.692 1.00 23.00 C ATOM 985 O VAL B 22 -50.756 -4.341 7.518 1.00 19.73 O ATOM 986 CB VAL B 22 -51.460 -4.715 4.232 1.00 22.74 C ATOM 987 CG1 VAL B 22 -52.162 -3.443 4.652 1.00 21.68 C ATOM 988 CG2 VAL B 22 -50.791 -4.498 2.889 1.00 20.82 C ATOM 989 H VAL B 22 -50.176 -6.942 4.057 1.00 0.00 H ATOM 990 N ASP B 23 -51.730 -6.302 6.984 1.00 22.23 N ATOM 991 CA ASP B 23 -52.328 -6.466 8.312 1.00 25.36 C ATOM 992 C ASP B 23 -51.246 -6.578 9.369 1.00 26.38 C ATOM 993 O ASP B 23 -51.387 -6.080 10.482 1.00 23.88 O ATOM 994 CB ASP B 23 -53.196 -7.728 8.377 1.00 25.73 C ATOM 995 CG ASP B 23 -54.393 -7.669 7.455 1.00 33.57 C ATOM 996 OD1 ASP B 23 -54.752 -6.560 7.008 1.00 37.45 O ATOM 997 OD2 ASP B 23 -54.981 -8.741 7.181 1.00 40.20 O ATOM 998 H ASP B 23 -51.887 -7.030 6.258 1.00 0.00 H ATOM 999 N CYS B 24 -50.164 -7.255 9.012 1.00 23.36 N ATOM 1000 CA CYS B 24 -49.084 -7.499 9.952 1.00 21.33 C ATOM 1001 C CYS B 24 -48.365 -6.198 10.274 1.00 19.76 C ATOM 1002 O CYS B 24 -48.080 -5.889 11.430 1.00 19.57 O ATOM 1003 CB CYS B 24 -48.110 -8.498 9.345 1.00 22.31 C ATOM 1004 SG CYS B 24 -46.969 -9.176 10.525 1.00 29.20 S ATOM 1005 H CYS B 24 -50.087 -7.618 8.041 1.00 0.00 H ATOM 1006 N ALA B 25 -48.077 -5.430 9.235 1.00 18.54 N ATOM 1007 CA ALA B 25 -47.450 -4.128 9.400 1.00 17.01 C ATOM 1008 C ALA B 25 -48.352 -3.165 10.181 1.00 22.47 C ATOM 1009 O ALA B 25 -47.877 -2.361 10.985 1.00 18.83 O ATOM 1010 CB ALA B 25 -47.115 -3.563 8.047 1.00 19.37 C ATOM 1011 H ALA B 25 -48.305 -5.766 8.277 1.00 0.00 H ATOM 1012 N THR B 26 -49.654 -3.246 9.926 1.00 22.21 N ATOM 1013 CA THR B 26 -50.628 -2.403 10.608 1.00 21.90 C ATOM 1014 C THR B 26 -50.617 -2.672 12.111 1.00 22.34 C ATOM 1015 O THR B 26 -50.616 -1.736 12.918 1.00 24.49 O ATOM 1016 CB THR B 26 -52.041 -2.628 10.034 1.00 24.42 C ATOM 1017 OG1 THR B 26 -52.060 -2.262 8.644 1.00 23.63 O ATOM 1018 CG2 THR B 26 -53.075 -1.802 10.785 1.00 28.72 C ATOM 1019 HG1 THR B 26 -51.410 -2.820 8.148 1.00 0.00 H ATOM 1020 H THR B 26 -49.988 -3.931 9.219 1.00 0.00 H ATOM 1021 N GLN B 27 -50.597 -3.950 12.479 1.00 20.11 N ATOM 1022 CA GLN B 27 -50.531 -4.360 13.878 1.00 23.32 C ATOM 1023 C GLN B 27 -49.223 -3.911 14.512 1.00 25.06 C ATOM 1024 O GLN B 27 -49.199 -3.476 15.659 1.00 19.66 O ATOM 1025 CB GLN B 27 -50.620 -5.884 14.003 1.00 27.64 C ATOM 1026 CG GLN B 27 -51.935 -6.510 13.584 1.00 32.28 C ATOM 1027 CD GLN B 27 -51.936 -8.013 13.801 1.00 40.04 C ATOM 1028 OE1 GLN B 27 -51.001 -8.712 13.397 1.00 41.54 O ATOM 1029 NE2 GLN B 27 -52.977 -8.518 14.453 1.00 44.23 N ATOM 1030 HE22 GLN B 27 -53.742 -7.892 14.775 1.00 0.00 H ATOM 1031 HE21 GLN B 27 -53.027 -9.540 14.641 1.00 0.00 H ATOM 1032 H GLN B 27 -50.630 -4.684 11.743 1.00 0.00 H ATOM 1033 N ALA B 28 -48.130 -4.041 13.766 1.00 19.38 N ATOM 1034 CA ALA B 28 -46.815 -3.682 14.287 1.00 20.11 C ATOM 1035 C ALA B 28 -46.735 -2.190 14.590 1.00 22.31 C ATOM 1036 O ALA B 28 -46.155 -1.784 15.596 1.00 19.77 O ATOM 1037 CB ALA B 28 -45.728 -4.082 13.311 1.00 17.68 C ATOM 1038 H ALA B 28 -48.214 -4.405 12.795 1.00 0.00 H ATOM 1039 N LEU B 29 -47.301 -1.375 13.702 1.00 20.73 N ATOM 1040 CA LEU B 29 -47.277 0.080 13.872 1.00 24.28 C ATOM 1041 C LEU B 29 -48.108 0.547 15.064 1.00 24.13 C ATOM 1042 O LEU B 29 -47.860 1.621 15.610 1.00 28.44 O ATOM 1043 CB LEU B 29 -47.732 0.799 12.598 1.00 22.64 C ATOM 1044 CG LEU B 29 -46.726 0.883 11.453 1.00 26.03 C ATOM 1045 CD1 LEU B 29 -47.387 1.394 10.184 1.00 26.42 C ATOM 1046 CD2 LEU B 29 -45.568 1.780 11.823 1.00 25.01 C ATOM 1047 H LEU B 29 -47.771 -1.781 12.868 1.00 0.00 H ATOM 1048 N GLU B 30 -49.098 -0.248 15.458 1.00 26.11 N ATOM 1049 CA GLU B 30 -49.915 0.070 16.627 1.00 24.27 C ATOM 1050 C GLU B 30 -49.166 -0.262 17.909 1.00 25.94 C ATOM 1051 O GLU B 30 -49.300 0.426 18.926 1.00 30.11 O ATOM 1052 CB GLU B 30 -51.223 -0.718 16.593 1.00 30.12 C ATOM 1053 CG GLU B 30 -52.399 0.068 16.048 1.00 40.96 C ATOM 1054 CD GLU B 30 -53.501 -0.830 15.524 1.00 47.77 C ATOM 1055 OE1 GLU B 30 -53.622 -1.979 16.006 1.00 51.10 O ATOM 1056 OE2 GLU B 30 -54.239 -0.392 14.614 1.00 48.07 O ATOM 1057 H GLU B 30 -49.296 -1.117 14.922 1.00 0.00 H ATOM 1058 N LYS B 31 -48.379 -1.326 17.855 1.00 20.74 N ATOM 1059 CA LYS B 31 -47.657 -1.799 19.024 1.00 22.49 C ATOM 1060 C LYS B 31 -46.346 -1.046 19.231 1.00 21.60 C ATOM 1061 O LYS B 31 -45.911 -0.854 20.366 1.00 18.43 O ATOM 1062 CB LYS B 31 -47.388 -3.301 18.895 1.00 23.27 C ATOM 1063 CG LYS B 31 -46.686 -3.908 20.099 1.00 27.61 C ATOM 1064 CD LYS B 31 -46.650 -5.427 19.997 1.00 32.42 C ATOM 1065 CE LYS B 31 -46.162 -6.057 21.295 1.00 34.64 C ATOM 1066 NZ LYS B 31 -45.906 -7.520 21.143 1.00 29.74 N ATOM 1067 HZ1 LYS B 31 -46.786 -7.997 20.860 1.00 0.00 H ATOM 1068 HZ2 LYS B 31 -45.179 -7.670 20.415 1.00 0.00 H ATOM 1069 HZ3 LYS B 31 -45.576 -7.909 22.049 1.00 0.00 H ATOM 1070 H LYS B 31 -48.275 -1.835 16.954 1.00 0.00 H ATOM 1071 N TYR B 32 -45.726 -0.614 18.133 1.00 20.77 N ATOM 1072 CA TYR B 32 -44.385 -0.031 18.179 1.00 18.39 C ATOM 1073 C TYR B 32 -44.261 1.264 17.371 1.00 20.37 C ATOM 1074 O TYR B 32 -44.967 1.453 16.378 1.00 18.40 O ATOM 1075 CB TYR B 32 -43.367 -1.042 17.645 1.00 16.41 C ATOM 1076 CG TYR B 32 -43.231 -2.309 18.459 1.00 18.07 C ATOM 1077 CD1 TYR B 32 -42.793 -2.267 19.775 1.00 16.91 C ATOM 1078 CD2 TYR B 32 -43.507 -3.552 17.898 1.00 20.00 C ATOM 1079 CE1 TYR B 32 -42.642 -3.427 20.523 1.00 26.53 C ATOM 1080 CE2 TYR B 32 -43.357 -4.719 18.632 1.00 24.66 C ATOM 1081 CZ TYR B 32 -42.923 -4.647 19.948 1.00 25.47 C ATOM 1082 OH TYR B 32 -42.777 -5.796 20.691 1.00 35.10 O ATOM 1083 HH TYR B 32 -42.116 -6.389 20.254 1.00 0.00 H ATOM 1084 H TYR B 32 -46.210 -0.694 17.216 1.00 0.00 H ATOM 1085 N ASN B 33 -43.350 2.149 17.785 1.00 16.31 N ATOM 1086 CA ASN B 33 -43.049 3.352 16.997 1.00 16.36 C ATOM 1087 C ASN B 33 -41.590 3.437 16.530 1.00 14.93 C ATOM 1088 O ASN B 33 -41.203 4.373 15.818 1.00 17.61 O ATOM 1089 CB ASN B 33 -43.452 4.624 17.756 1.00 20.24 C ATOM 1090 CG ASN B 33 -43.125 4.549 19.227 1.00 24.40 C ATOM 1091 OD1 ASN B 33 -42.141 3.917 19.627 1.00 23.32 O ATOM 1092 ND2 ASN B 33 -43.961 5.181 20.054 1.00 19.60 N ATOM 1093 HD22 ASN B 33 -44.777 5.701 19.672 1.00 0.00 H ATOM 1094 HD21 ASN B 33 -43.797 5.154 21.081 1.00 0.00 H ATOM 1095 H ASN B 33 -42.846 1.984 18.679 1.00 0.00 H ATOM 1096 N ILE B 34 -40.782 2.452 16.913 1.00 16.54 N ATOM 1097 CA ILE B 34 -39.374 2.405 16.502 1.00 12.91 C ATOM 1098 C ILE B 34 -39.240 1.452 15.309 1.00 11.75 C ATOM 1099 O ILE B 34 -39.707 0.317 15.392 1.00 10.01 O ATOM 1100 CB ILE B 34 -38.465 1.886 17.648 1.00 13.52 C ATOM 1101 CG1 ILE B 34 -38.633 2.753 18.895 1.00 17.44 C ATOM 1102 CG2 ILE B 34 -37.005 1.864 17.213 1.00 13.60 C ATOM 1103 CD1 ILE B 34 -38.524 4.238 18.588 1.00 16.24 C ATOM 1104 H ILE B 34 -41.158 1.695 17.520 1.00 0.00 H ATOM 1105 N GLU B 35 -38.610 1.907 14.220 1.00 10.85 N ATOM 1106 CA GLU B 35 -38.495 1.107 12.987 1.00 11.28 C ATOM 1107 C GLU B 35 -37.967 -0.314 13.202 1.00 10.10 C ATOM 1108 O GLU B 35 -38.534 -1.277 12.665 1.00 12.57 O ATOM 1109 CB GLU B 35 -37.646 1.831 11.927 1.00 11.31 C ATOM 1110 CG GLU B 35 -38.212 3.170 11.450 1.00 13.63 C ATOM 1111 CD GLU B 35 -37.605 4.341 12.201 1.00 11.09 C ATOM 1112 OE1 GLU B 35 -37.753 4.400 13.443 1.00 11.53 O ATOM 1113 OE2 GLU B 35 -36.960 5.184 11.545 1.00 16.96 O ATOM 1114 H GLU B 35 -38.187 2.857 14.244 1.00 0.00 H ATOM 1115 N LYS B 36 -36.895 -0.454 13.984 1.00 9.39 N ATOM 1116 CA LYS B 36 -36.313 -1.776 14.242 1.00 11.31 C ATOM 1117 C LYS B 36 -37.322 -2.736 14.879 1.00 13.45 C ATOM 1118 O LYS B 36 -37.397 -3.910 14.509 1.00 13.74 O ATOM 1119 CB LYS B 36 -35.077 -1.664 15.143 1.00 13.43 C ATOM 1120 CG LYS B 36 -34.414 -3.007 15.441 1.00 19.19 C ATOM 1121 CD LYS B 36 -33.441 -2.905 16.605 1.00 26.61 C ATOM 1122 CE LYS B 36 -33.009 -4.286 17.102 1.00 37.34 C ATOM 1123 NZ LYS B 36 -34.148 -5.096 17.640 1.00 33.41 N ATOM 1124 HZ1 LYS B 36 -34.582 -4.593 18.440 1.00 0.00 H ATOM 1125 HZ2 LYS B 36 -34.856 -5.236 16.891 1.00 0.00 H ATOM 1126 HZ3 LYS B 36 -33.794 -6.020 17.961 1.00 0.00 H ATOM 1127 H LYS B 36 -36.465 0.388 14.418 1.00 0.00 H ATOM 1128 N ASP B 37 -38.094 -2.236 15.843 1.00 12.81 N ATOM 1129 CA ASP B 37 -39.095 -3.057 16.524 1.00 13.53 C ATOM 1130 C ASP B 37 -40.229 -3.442 15.583 1.00 11.91 C ATOM 1131 O ASP B 37 -40.734 -4.564 15.630 1.00 11.65 O ATOM 1132 CB ASP B 37 -39.682 -2.298 17.721 1.00 12.49 C ATOM 1133 CG ASP B 37 -38.685 -2.103 18.845 1.00 20.56 C ATOM 1134 OD1 ASP B 37 -37.686 -2.855 18.903 1.00 21.68 O ATOM 1135 OD2 ASP B 37 -38.916 -1.197 19.680 1.00 19.78 O ATOM 1136 H ASP B 37 -37.982 -1.239 16.118 1.00 0.00 H ATOM 1137 N ILE B 38 -40.644 -2.495 14.750 1.00 10.83 N ATOM 1138 CA ILE B 38 -41.695 -2.740 13.755 1.00 12.53 C ATOM 1139 C ILE B 38 -41.249 -3.817 12.772 1.00 11.69 C ATOM 1140 O ILE B 38 -41.994 -4.770 12.488 1.00 11.45 O ATOM 1141 CB ILE B 38 -42.057 -1.445 12.998 1.00 11.12 C ATOM 1142 CG1 ILE B 38 -42.661 -0.421 13.965 1.00 12.78 C ATOM 1143 CG2 ILE B 38 -43.043 -1.732 11.864 1.00 13.52 C ATOM 1144 CD1 ILE B 38 -42.529 1.024 13.484 1.00 11.75 C ATOM 1145 H ILE B 38 -40.211 -1.551 14.804 1.00 0.00 H ATOM 1146 N ALA B 39 -40.022 -3.677 12.276 1.00 11.40 N ATOM 1147 CA ALA B 39 -39.449 -4.643 11.341 1.00 11.08 C ATOM 1148 C ALA B 39 -39.322 -6.023 11.977 1.00 13.12 C ATOM 1149 O ALA B 39 -39.600 -7.047 11.340 1.00 10.27 O ATOM 1150 CB ALA B 39 -38.084 -4.146 10.840 1.00 12.04 C ATOM 1151 H ALA B 39 -39.453 -2.855 12.563 1.00 0.00 H ATOM 1152 N ALA B 40 -38.889 -6.057 13.233 1.00 10.22 N ATOM 1153 CA ALA B 40 -38.737 -7.335 13.926 1.00 10.89 C ATOM 1154 C ALA B 40 -40.083 -8.042 14.099 1.00 11.15 C ATOM 1155 O ALA B 40 -40.175 -9.266 13.964 1.00 12.92 O ATOM 1156 CB ALA B 40 -38.043 -7.144 15.267 1.00 12.89 C ATOM 1157 H ALA B 40 -38.657 -5.170 13.725 1.00 0.00 H ATOM 1158 N TYR B 41 -41.124 -7.270 14.391 1.00 9.69 N ATOM 1159 CA TYR B 41 -42.460 -7.842 14.577 1.00 13.06 C ATOM 1160 C TYR B 41 -42.885 -8.552 13.296 1.00 13.87 C ATOM 1161 O TYR B 41 -43.280 -9.726 13.319 1.00 12.86 O ATOM 1162 CB TYR B 41 -43.459 -6.741 14.948 1.00 13.69 C ATOM 1163 CG TYR B 41 -44.895 -7.193 15.188 1.00 15.97 C ATOM 1164 CD1 TYR B 41 -45.399 -7.311 16.479 1.00 22.46 C ATOM 1165 CD2 TYR B 41 -45.756 -7.457 14.124 1.00 18.80 C ATOM 1166 CE1 TYR B 41 -46.715 -7.694 16.704 1.00 24.84 C ATOM 1167 CE2 TYR B 41 -47.069 -7.846 14.343 1.00 23.79 C ATOM 1168 CZ TYR B 41 -47.538 -7.968 15.635 1.00 27.96 C ATOM 1169 OH TYR B 41 -48.843 -8.347 15.864 1.00 32.41 O ATOM 1170 HH TYR B 41 -49.008 -8.384 16.839 1.00 0.00 H ATOM 1171 H TYR B 41 -40.988 -6.244 14.489 1.00 0.00 H ATOM 1172 N ILE B 42 -42.775 -7.834 12.182 1.00 12.56 N ATOM 1173 CA ILE B 42 -43.209 -8.333 10.883 1.00 11.99 C ATOM 1174 C ILE B 42 -42.374 -9.533 10.430 1.00 14.49 C ATOM 1175 O ILE B 42 -42.928 -10.535 9.969 1.00 13.40 O ATOM 1176 CB ILE B 42 -43.145 -7.226 9.804 1.00 10.69 C ATOM 1177 CG1 ILE B 42 -44.102 -6.072 10.125 1.00 11.70 C ATOM 1178 CG2 ILE B 42 -43.449 -7.792 8.411 1.00 10.87 C ATOM 1179 CD1 ILE B 42 -43.810 -4.802 9.323 1.00 12.90 C ATOM 1180 H ILE B 42 -42.364 -6.880 12.240 1.00 0.00 H ATOM 1181 N LYS B 43 -41.047 -9.421 10.548 1.00 10.96 N ATOM 1182 CA LYS B 43 -40.135 -10.495 10.149 1.00 10.74 C ATOM 1183 C LYS B 43 -40.427 -11.774 10.927 1.00 14.29 C ATOM 1184 O LYS B 43 -40.526 -12.860 10.351 1.00 15.59 O ATOM 1185 CB LYS B 43 -38.673 -10.062 10.364 1.00 11.86 C ATOM 1186 CG LYS B 43 -37.598 -11.096 9.962 1.00 11.93 C ATOM 1187 CD LYS B 43 -37.198 -12.025 11.109 1.00 14.32 C ATOM 1188 CE LYS B 43 -35.811 -12.633 10.889 1.00 14.36 C ATOM 1189 NZ LYS B 43 -35.764 -13.615 9.759 1.00 12.12 N ATOM 1190 HZ1 LYS B 43 -36.421 -14.397 9.954 1.00 0.00 H ATOM 1191 HZ2 LYS B 43 -36.041 -13.140 8.876 1.00 0.00 H ATOM 1192 HZ3 LYS B 43 -34.798 -13.988 9.665 1.00 0.00 H ATOM 1193 H LYS B 43 -40.649 -8.542 10.936 1.00 0.00 H ATOM 1194 N LYS B 44 -40.570 -11.642 12.241 1.00 13.03 N ATOM 1195 CA LYS B 44 -40.820 -12.806 13.091 1.00 15.07 C ATOM 1196 C LYS B 44 -42.168 -13.462 12.782 1.00 16.65 C ATOM 1197 O LYS B 44 -42.269 -14.691 12.720 1.00 16.45 O ATOM 1198 CB LYS B 44 -40.718 -12.412 14.568 1.00 16.02 C ATOM 1199 CG LYS B 44 -39.287 -12.119 15.014 1.00 17.94 C ATOM 1200 CD LYS B 44 -39.255 -11.547 16.432 1.00 19.56 C ATOM 1201 CE LYS B 44 -37.852 -11.591 16.995 1.00 25.68 C ATOM 1202 NZ LYS B 44 -37.820 -11.188 18.440 1.00 30.03 N ATOM 1203 HZ1 LYS B 44 -38.181 -10.217 18.536 1.00 0.00 H ATOM 1204 HZ2 LYS B 44 -38.415 -11.837 18.993 1.00 0.00 H ATOM 1205 HZ3 LYS B 44 -36.841 -11.231 18.789 1.00 0.00 H ATOM 1206 H LYS B 44 -40.503 -10.698 12.672 1.00 0.00 H ATOM 1207 N GLU B 45 -43.199 -12.647 12.576 1.00 15.94 N ATOM 1208 CA GLU B 45 -44.512 -13.189 12.229 1.00 16.74 C ATOM 1209 C GLU B 45 -44.509 -13.913 10.874 1.00 19.71 C ATOM 1210 O GLU B 45 -45.153 -14.955 10.720 1.00 15.83 O ATOM 1211 CB GLU B 45 -45.583 -12.101 12.265 1.00 14.55 C ATOM 1212 CG GLU B 45 -45.930 -11.595 13.676 1.00 18.34 C ATOM 1213 CD GLU B 45 -46.692 -12.621 14.512 1.00 25.04 C ATOM 1214 OE1 GLU B 45 -46.449 -12.690 15.734 1.00 27.93 O ATOM 1215 OE2 GLU B 45 -47.542 -13.340 13.945 1.00 25.40 O ATOM 1216 H GLU B 45 -43.070 -11.619 12.662 1.00 0.00 H ATOM 1217 N PHE B 46 -43.790 -13.375 9.893 1.00 13.83 N ATOM 1218 CA PHE B 46 -43.701 -14.049 8.597 1.00 14.52 C ATOM 1219 C PHE B 46 -42.838 -15.314 8.654 1.00 17.20 C ATOM 1220 O PHE B 46 -43.158 -16.312 7.995 1.00 16.16 O ATOM 1221 CB PHE B 46 -43.283 -13.073 7.474 1.00 12.73 C ATOM 1222 CG PHE B 46 -44.457 -12.505 6.718 1.00 13.23 C ATOM 1223 CD1 PHE B 46 -45.386 -11.699 7.364 1.00 16.83 C ATOM 1224 CD2 PHE B 46 -44.653 -12.803 5.372 1.00 16.10 C ATOM 1225 CE1 PHE B 46 -46.487 -11.189 6.685 1.00 17.57 C ATOM 1226 CE2 PHE B 46 -45.755 -12.297 4.684 1.00 15.94 C ATOM 1227 CZ PHE B 46 -46.671 -11.490 5.343 1.00 18.59 C ATOM 1228 H PHE B 46 -43.291 -12.476 10.047 1.00 0.00 H ATOM 1229 N ASP B 47 -41.770 -15.293 9.453 1.00 15.02 N ATOM 1230 CA ASP B 47 -40.964 -16.503 9.643 1.00 17.25 C ATOM 1231 C ASP B 47 -41.838 -17.613 10.221 1.00 21.10 C ATOM 1232 O ASP B 47 -41.710 -18.794 9.863 1.00 16.34 O ATOM 1233 CB ASP B 47 -39.797 -16.256 10.601 1.00 15.70 C ATOM 1234 CG ASP B 47 -38.563 -15.724 9.903 1.00 17.23 C ATOM 1235 OD1 ASP B 47 -38.593 -15.596 8.665 1.00 15.11 O ATOM 1236 OD2 ASP B 47 -37.558 -15.450 10.601 1.00 18.31 O ATOM 1237 H ASP B 47 -41.508 -14.414 9.943 1.00 0.00 H ATOM 1238 N LYS B 48 -42.731 -17.228 11.123 1.00 16.40 N ATOM 1239 CA LYS B 48 -43.552 -18.209 11.817 1.00 21.03 C ATOM 1240 C LYS B 48 -44.645 -18.751 10.896 1.00 24.37 C ATOM 1241 O LYS B 48 -44.893 -19.957 10.854 1.00 23.28 O ATOM 1242 CB LYS B 48 -44.137 -17.586 13.093 1.00 22.49 C ATOM 1243 CG LYS B 48 -44.985 -18.519 13.925 1.00 29.48 C ATOM 1244 CD LYS B 48 -45.240 -17.922 15.311 1.00 37.87 C ATOM 1245 CE LYS B 48 -45.960 -16.583 15.213 1.00 31.58 C ATOM 1246 NZ LYS B 48 -47.357 -16.754 14.718 1.00 38.52 N ATOM 1247 HZ1 LYS B 48 -47.338 -17.190 13.774 1.00 0.00 H ATOM 1248 HZ2 LYS B 48 -47.883 -17.366 15.374 1.00 0.00 H ATOM 1249 HZ3 LYS B 48 -47.820 -15.824 14.663 1.00 0.00 H ATOM 1250 H LYS B 48 -42.845 -16.217 11.336 1.00 0.00 H ATOM 1251 N LYS B 49 -45.267 -17.866 10.126 1.00 21.16 N ATOM 1252 CA LYS B 49 -46.420 -18.242 9.313 1.00 22.13 C ATOM 1253 C LYS B 49 -46.042 -18.807 7.935 1.00 26.51 C ATOM 1254 O LYS B 49 -46.763 -19.642 7.375 1.00 21.55 O ATOM 1255 CB LYS B 49 -47.366 -17.042 9.158 1.00 21.86 C ATOM 1256 CG LYS B 49 -48.674 -17.369 8.456 1.00 31.83 C ATOM 1257 CD LYS B 49 -49.670 -16.217 8.559 1.00 36.12 C ATOM 1258 CE LYS B 49 -51.051 -16.628 8.047 1.00 37.66 C ATOM 1259 NZ LYS B 49 -52.042 -15.518 8.179 1.00 47.72 N ATOM 1260 HZ1 LYS B 49 -52.130 -15.250 9.180 1.00 0.00 H ATOM 1261 HZ2 LYS B 49 -51.718 -14.698 7.627 1.00 0.00 H ATOM 1262 HZ3 LYS B 49 -52.966 -15.835 7.822 1.00 0.00 H ATOM 1263 H LYS B 49 -44.926 -16.884 10.101 1.00 0.00 H ATOM 1264 N TYR B 50 -44.907 -18.374 7.394 1.00 20.70 N ATOM 1265 CA TYR B 50 -44.545 -18.747 6.028 1.00 17.79 C ATOM 1266 C TYR B 50 -43.132 -19.319 5.916 1.00 21.11 C ATOM 1267 O TYR B 50 -42.547 -19.336 4.821 1.00 20.61 O ATOM 1268 CB TYR B 50 -44.702 -17.548 5.095 1.00 19.18 C ATOM 1269 CG TYR B 50 -46.114 -17.014 4.950 1.00 20.88 C ATOM 1270 CD1 TYR B 50 -46.472 -15.790 5.502 1.00 22.95 C ATOM 1271 CD2 TYR B 50 -47.079 -17.721 4.238 1.00 26.68 C ATOM 1272 CE1 TYR B 50 -47.748 -15.288 5.357 1.00 24.67 C ATOM 1273 CE2 TYR B 50 -48.364 -17.227 4.095 1.00 28.12 C ATOM 1274 CZ TYR B 50 -48.689 -16.012 4.654 1.00 30.26 C ATOM 1275 OH TYR B 50 -49.959 -15.512 4.515 1.00 31.89 O ATOM 1276 HH TYR B 50 -50.020 -14.637 4.974 1.00 0.00 H ATOM 1277 H TYR B 50 -44.272 -17.765 7.948 1.00 0.00 H ATOM 1278 N ASN B 51 -42.599 -19.778 7.049 1.00 16.77 N ATOM 1279 CA ASN B 51 -41.250 -20.344 7.139 1.00 19.89 C ATOM 1280 C ASN B 51 -40.155 -19.302 6.952 1.00 17.86 C ATOM 1281 O ASN B 51 -40.367 -18.296 6.292 1.00 16.14 O ATOM 1282 CB ASN B 51 -41.057 -21.523 6.166 1.00 22.12 C ATOM 1283 CG ASN B 51 -41.641 -22.811 6.698 1.00 22.76 C ATOM 1284 OD1 ASN B 51 -41.666 -23.027 7.904 1.00 25.59 O ATOM 1285 ND2 ASN B 51 -42.115 -23.675 5.804 1.00 18.49 N ATOM 1286 HD22 ASN B 51 -42.073 -23.449 4.790 1.00 0.00 H ATOM 1287 HD21 ASN B 51 -42.528 -24.576 6.120 1.00 0.00 H ATOM 1288 H ASN B 51 -43.172 -19.732 7.916 1.00 0.00 H ATOM 1289 N PRO B 52 -38.990 -19.534 7.564 1.00 19.90 N ATOM 1290 CA PRO B 52 -37.821 -18.693 7.296 1.00 20.72 C ATOM 1291 C PRO B 52 -37.404 -18.857 5.827 1.00 22.15 C ATOM 1292 O PRO B 52 -37.718 -19.887 5.224 1.00 20.90 O ATOM 1293 CB PRO B 52 -36.755 -19.262 8.250 1.00 25.27 C ATOM 1294 CG PRO B 52 -37.256 -20.627 8.646 1.00 26.83 C ATOM 1295 CD PRO B 52 -38.744 -20.496 8.654 1.00 23.80 C ATOM 1296 N THR B 53 -36.695 -17.891 5.251 1.00 21.15 N ATOM 1297 CA THR B 53 -36.075 -16.797 5.970 1.00 16.87 C ATOM 1298 C THR B 53 -36.547 -15.458 5.407 1.00 15.09 C ATOM 1299 O THR B 53 -36.264 -15.129 4.251 1.00 13.11 O ATOM 1300 CB THR B 53 -34.551 -16.899 5.809 1.00 22.43 C ATOM 1301 OG1 THR B 53 -34.087 -18.122 6.399 1.00 24.30 O ATOM 1302 CG2 THR B 53 -33.877 -15.738 6.478 1.00 18.29 C ATOM 1303 HG1 THR B 53 -34.519 -18.890 5.947 1.00 0.00 H ATOM 1304 H THR B 53 -36.578 -17.923 4.218 1.00 0.00 H ATOM 1305 N TRP B 54 -37.271 -14.690 6.219 1.00 14.47 N ATOM 1306 CA TRP B 54 -37.729 -13.358 5.814 1.00 11.61 C ATOM 1307 C TRP B 54 -36.819 -12.247 6.344 1.00 12.75 C ATOM 1308 O TRP B 54 -36.084 -12.424 7.328 1.00 13.43 O ATOM 1309 CB TRP B 54 -39.174 -13.108 6.286 1.00 12.41 C ATOM 1310 CG TRP B 54 -40.168 -14.041 5.642 1.00 13.48 C ATOM 1311 CD1 TRP B 54 -40.479 -15.320 6.031 1.00 15.80 C ATOM 1312 CD2 TRP B 54 -40.967 -13.767 4.490 1.00 12.28 C ATOM 1313 NE1 TRP B 54 -41.424 -15.860 5.178 1.00 15.34 N ATOM 1314 CE2 TRP B 54 -41.746 -14.923 4.228 1.00 13.86 C ATOM 1315 CE3 TRP B 54 -41.106 -12.659 3.648 1.00 11.33 C ATOM 1316 CZ2 TRP B 54 -42.641 -14.994 3.155 1.00 14.58 C ATOM 1317 CZ3 TRP B 54 -41.994 -12.733 2.582 1.00 13.43 C ATOM 1318 CH2 TRP B 54 -42.754 -13.888 2.351 1.00 14.97 C ATOM 1319 HE1 TRP B 54 -41.824 -16.817 5.245 1.00 0.00 H ATOM 1320 H TRP B 54 -37.518 -15.045 7.165 1.00 0.00 H ATOM 1321 N HIS B 55 -36.896 -11.094 5.687 1.00 9.88 N ATOM 1322 CA HIS B 55 -36.142 -9.919 6.087 1.00 8.79 C ATOM 1323 C HIS B 55 -37.080 -8.740 5.947 1.00 9.39 C ATOM 1324 O HIS B 55 -37.904 -8.695 5.029 1.00 8.50 O ATOM 1325 CB HIS B 55 -34.917 -9.740 5.185 1.00 9.43 C ATOM 1326 CG HIS B 55 -34.170 -11.009 4.936 1.00 11.09 C ATOM 1327 ND1 HIS B 55 -33.176 -11.469 5.775 1.00 12.59 N ATOM 1328 CD2 HIS B 55 -34.286 -11.934 3.949 1.00 10.96 C ATOM 1329 CE1 HIS B 55 -32.715 -12.618 5.322 1.00 13.24 C ATOM 1330 NE2 HIS B 55 -33.368 -12.920 4.211 1.00 11.25 N ATOM 1331 H HIS B 55 -37.519 -11.031 4.856 1.00 0.00 H ATOM 1332 N CYS B 56 -36.993 -7.790 6.866 1.00 10.02 N ATOM 1333 CA CYS B 56 -37.911 -6.659 6.801 1.00 9.64 C ATOM 1334 C CYS B 56 -37.192 -5.367 7.078 1.00 11.31 C ATOM 1335 O CYS B 56 -36.415 -5.276 8.032 1.00 9.40 O ATOM 1336 CB CYS B 56 -39.064 -6.830 7.787 1.00 11.16 C ATOM 1337 SG CYS B 56 -40.323 -5.549 7.695 1.00 11.54 S ATOM 1338 H CYS B 56 -36.281 -7.850 7.622 1.00 0.00 H ATOM 1339 N ILE B 57 -37.474 -4.374 6.238 1.00 8.24 N ATOM 1340 CA ILE B 57 -36.898 -3.041 6.375 1.00 8.29 C ATOM 1341 C ILE B 57 -38.077 -2.066 6.459 1.00 10.39 C ATOM 1342 O ILE B 57 -39.024 -2.154 5.667 1.00 9.65 O ATOM 1343 CB ILE B 57 -35.967 -2.687 5.179 1.00 9.27 C ATOM 1344 CG1 ILE B 57 -34.783 -3.660 5.099 1.00 14.71 C ATOM 1345 CG2 ILE B 57 -35.388 -1.297 5.346 1.00 10.48 C ATOM 1346 CD1 ILE B 57 -35.069 -4.977 4.383 1.00 19.02 C ATOM 1347 H ILE B 57 -38.131 -4.556 5.453 1.00 0.00 H ATOM 1348 N VAL B 58 -38.034 -1.169 7.446 1.00 7.67 N ATOM 1349 CA VAL B 58 -39.106 -0.214 7.682 1.00 9.13 C ATOM 1350 C VAL B 58 -38.498 1.168 7.781 1.00 10.42 C ATOM 1351 O VAL B 58 -37.553 1.370 8.531 1.00 9.61 O ATOM 1352 CB VAL B 58 -39.832 -0.508 9.028 1.00 10.97 C ATOM 1353 CG1 VAL B 58 -40.835 0.610 9.352 1.00 10.81 C ATOM 1354 CG2 VAL B 58 -40.538 -1.853 8.971 1.00 11.32 C ATOM 1355 H VAL B 58 -37.202 -1.152 8.070 1.00 0.00 H ATOM 1356 N GLY B 59 -39.013 2.139 7.037 1.00 9.33 N ATOM 1357 CA GLY B 59 -38.450 3.468 7.182 1.00 12.48 C ATOM 1358 C GLY B 59 -38.981 4.496 6.214 1.00 11.34 C ATOM 1359 O GLY B 59 -39.578 4.162 5.193 1.00 11.60 O ATOM 1360 H GLY B 59 -39.792 1.954 6.374 1.00 0.00 H ATOM 1361 N ARG B 60 -38.747 5.760 6.533 1.00 10.70 N ATOM 1362 CA ARG B 60 -39.164 6.848 5.654 1.00 10.98 C ATOM 1363 C ARG B 60 -38.165 7.142 4.534 1.00 13.95 C ATOM 1364 O ARG B 60 -38.552 7.613 3.459 1.00 13.96 O ATOM 1365 CB ARG B 60 -39.409 8.105 6.490 1.00 18.47 C ATOM 1366 CG ARG B 60 -40.061 9.244 5.751 1.00 24.72 C ATOM 1367 CD ARG B 60 -40.366 10.366 6.723 1.00 27.29 C ATOM 1368 NE ARG B 60 -41.306 9.931 7.749 1.00 24.45 N ATOM 1369 CZ ARG B 60 -42.572 10.336 7.827 1.00 31.86 C ATOM 1370 NH1 ARG B 60 -43.060 11.205 6.945 1.00 28.98 N ATOM 1371 NH2 ARG B 60 -43.346 9.882 8.801 1.00 32.65 N ATOM 1372 HE ARG B 60 -40.965 9.260 8.467 1.00 0.00 H ATOM 1373 HH12 ARG B 60 -44.050 11.515 7.014 1.00 0.00 H ATOM 1374 HH11 ARG B 60 -42.451 11.574 6.187 1.00 0.00 H ATOM 1375 HH22 ARG B 60 -44.336 10.195 8.867 1.00 0.00 H ATOM 1376 HH21 ARG B 60 -42.964 9.213 9.500 1.00 0.00 H ATOM 1377 H ARG B 60 -38.258 5.981 7.424 1.00 0.00 H ATOM 1378 N ASN B 61 -36.883 6.878 4.780 1.00 12.86 N ATOM 1379 CA ASN B 61 -35.838 7.223 3.812 1.00 12.63 C ATOM 1380 C ASN B 61 -34.782 6.135 3.635 1.00 13.80 C ATOM 1381 O ASN B 61 -33.836 6.040 4.429 1.00 9.98 O ATOM 1382 CB ASN B 61 -35.133 8.531 4.198 1.00 14.67 C ATOM 1383 CG ASN B 61 -36.102 9.686 4.437 1.00 19.41 C ATOM 1384 OD1 ASN B 61 -36.383 10.040 5.584 1.00 20.83 O ATOM 1385 ND2 ASN B 61 -36.605 10.287 3.352 1.00 22.20 N ATOM 1386 HD22 ASN B 61 -36.340 9.954 2.403 1.00 0.00 H ATOM 1387 HD21 ASN B 61 -37.261 11.087 3.458 1.00 0.00 H ATOM 1388 H ASN B 61 -36.619 6.419 5.675 1.00 0.00 H ATOM 1389 N PHE B 62 -34.936 5.332 2.582 1.00 11.20 N ATOM 1390 CA PHE B 62 -33.966 4.290 2.244 1.00 10.55 C ATOM 1391 C PHE B 62 -34.149 3.779 0.827 1.00 9.76 C ATOM 1392 O PHE B 62 -35.230 3.894 0.245 1.00 12.54 O ATOM 1393 CB PHE B 62 -33.996 3.119 3.247 1.00 11.90 C ATOM 1394 CG PHE B 62 -35.208 2.231 3.140 1.00 10.11 C ATOM 1395 CD1 PHE B 62 -35.174 1.072 2.367 1.00 12.29 C ATOM 1396 CD2 PHE B 62 -36.364 2.526 3.849 1.00 11.02 C ATOM 1397 CE1 PHE B 62 -36.276 0.241 2.271 1.00 12.80 C ATOM 1398 CE2 PHE B 62 -37.479 1.693 3.776 1.00 11.04 C ATOM 1399 CZ PHE B 62 -37.436 0.549 2.983 1.00 13.95 C ATOM 1400 H PHE B 62 -35.775 5.450 1.979 1.00 0.00 H ATOM 1401 N GLY B 63 -33.073 3.233 0.275 1.00 9.66 N ATOM 1402 CA GLY B 63 -33.125 2.523 -0.996 1.00 10.01 C ATOM 1403 C GLY B 63 -32.561 1.142 -0.739 1.00 11.65 C ATOM 1404 O GLY B 63 -31.887 0.931 0.280 1.00 11.75 O ATOM 1405 H GLY B 63 -32.160 3.315 0.767 1.00 0.00 H ATOM 1406 N SER B 64 -32.850 0.188 -1.618 1.00 10.76 N ATOM 1407 CA SER B 64 -32.405 -1.177 -1.368 1.00 13.45 C ATOM 1408 C SER B 64 -32.131 -1.894 -2.670 1.00 9.64 C ATOM 1409 O SER B 64 -32.630 -1.511 -3.721 1.00 10.60 O ATOM 1410 CB SER B 64 -33.460 -1.952 -0.568 1.00 11.39 C ATOM 1411 OG SER B 64 -34.543 -2.333 -1.405 1.00 13.44 O ATOM 1412 HG SER B 64 -35.212 -2.831 -0.871 1.00 0.00 H ATOM 1413 H SER B 64 -33.390 0.414 -2.478 1.00 0.00 H ATOM 1414 N TYR B 65 -31.310 -2.931 -2.598 1.00 9.68 N ATOM 1415 CA TYR B 65 -31.169 -3.864 -3.708 1.00 10.42 C ATOM 1416 C TYR B 65 -30.992 -5.240 -3.101 1.00 10.77 C ATOM 1417 O TYR B 65 -30.010 -5.500 -2.392 1.00 10.48 O ATOM 1418 CB TYR B 65 -29.981 -3.507 -4.592 1.00 11.20 C ATOM 1419 CG TYR B 65 -30.061 -4.159 -5.958 1.00 12.52 C ATOM 1420 CD1 TYR B 65 -30.889 -3.646 -6.945 1.00 16.72 C ATOM 1421 CD2 TYR B 65 -29.312 -5.289 -6.252 1.00 14.31 C ATOM 1422 CE1 TYR B 65 -30.964 -4.246 -8.207 1.00 13.80 C ATOM 1423 CE2 TYR B 65 -29.379 -5.894 -7.499 1.00 16.18 C ATOM 1424 CZ TYR B 65 -30.208 -5.369 -8.469 1.00 16.27 C ATOM 1425 OH TYR B 65 -30.255 -5.985 -9.704 1.00 20.74 O ATOM 1426 HH TYR B 65 -30.888 -5.499 -10.290 1.00 0.00 H ATOM 1427 H TYR B 65 -30.755 -3.082 -1.732 1.00 0.00 H ATOM 1428 N VAL B 66 -31.961 -6.111 -3.359 1.00 9.55 N ATOM 1429 CA VAL B 66 -32.015 -7.390 -2.669 1.00 11.27 C ATOM 1430 C VAL B 66 -32.323 -8.499 -3.661 1.00 13.90 C ATOM 1431 O VAL B 66 -32.669 -8.244 -4.818 1.00 13.01 O ATOM 1432 CB VAL B 66 -33.084 -7.398 -1.538 1.00 11.50 C ATOM 1433 CG1 VAL B 66 -32.899 -6.213 -0.594 1.00 10.79 C ATOM 1434 CG2 VAL B 66 -34.501 -7.399 -2.118 1.00 10.06 C ATOM 1435 H VAL B 66 -32.690 -5.876 -4.063 1.00 0.00 H ATOM 1436 N THR B 67 -32.197 -9.737 -3.206 1.00 12.58 N ATOM 1437 CA THR B 67 -32.579 -10.869 -4.039 1.00 12.64 C ATOM 1438 C THR B 67 -33.641 -11.647 -3.284 1.00 13.95 C ATOM 1439 O THR B 67 -33.474 -11.921 -2.099 1.00 13.60 O ATOM 1440 CB THR B 67 -31.376 -11.749 -4.323 1.00 13.73 C ATOM 1441 OG1 THR B 67 -30.400 -10.995 -5.055 1.00 17.74 O ATOM 1442 CG2 THR B 67 -31.790 -12.971 -5.145 1.00 14.40 C ATOM 1443 HG1 THR B 67 -29.614 -11.568 -5.241 1.00 0.00 H ATOM 1444 H THR B 67 -31.823 -9.901 -2.249 1.00 0.00 H ATOM 1445 N HIS B 68 -34.751 -11.964 -3.947 1.00 11.25 N ATOM 1446 CA HIS B 68 -35.867 -12.611 -3.271 1.00 14.09 C ATOM 1447 C HIS B 68 -36.338 -13.828 -4.043 1.00 16.99 C ATOM 1448 O HIS B 68 -36.183 -13.889 -5.266 1.00 15.06 O ATOM 1449 CB HIS B 68 -37.033 -11.627 -3.067 1.00 12.20 C ATOM 1450 CG HIS B 68 -37.700 -11.192 -4.334 1.00 16.61 C ATOM 1451 ND1 HIS B 68 -38.722 -11.907 -4.925 1.00 17.88 N ATOM 1452 CD2 HIS B 68 -37.506 -10.101 -5.118 1.00 14.75 C ATOM 1453 CE1 HIS B 68 -39.120 -11.281 -6.020 1.00 18.64 C ATOM 1454 NE2 HIS B 68 -38.400 -10.185 -6.160 1.00 15.08 N ATOM 1455 H HIS B 68 -34.822 -11.747 -4.962 1.00 0.00 H ATOM 1456 N GLU B 69 -36.894 -14.801 -3.331 1.00 17.11 N ATOM 1457 CA GLU B 69 -37.562 -15.924 -3.987 1.00 15.59 C ATOM 1458 C GLU B 69 -38.805 -15.404 -4.704 1.00 15.58 C ATOM 1459 O GLU B 69 -39.440 -14.463 -4.231 1.00 16.35 O ATOM 1460 CB GLU B 69 -37.938 -16.991 -2.958 1.00 20.02 C ATOM 1461 CG GLU B 69 -36.742 -17.786 -2.457 1.00 29.20 C ATOM 1462 CD GLU B 69 -37.097 -18.739 -1.324 1.00 36.22 C ATOM 1463 OE1 GLU B 69 -38.276 -19.153 -1.234 1.00 35.78 O ATOM 1464 OE2 GLU B 69 -36.193 -19.055 -0.517 1.00 41.80 O ATOM 1465 H GLU B 69 -36.854 -14.764 -2.292 1.00 0.00 H ATOM 1466 N THR B 70 -39.146 -15.982 -5.857 1.00 17.15 N ATOM 1467 CA THR B 70 -40.328 -15.529 -6.580 1.00 14.97 C ATOM 1468 C THR B 70 -41.553 -15.711 -5.698 1.00 10.54 C ATOM 1469 O THR B 70 -41.601 -16.646 -4.907 1.00 14.66 O ATOM 1470 CB THR B 70 -40.532 -16.290 -7.922 1.00 19.79 C ATOM 1471 OG1 THR B 70 -40.639 -17.695 -7.669 1.00 21.34 O ATOM 1472 CG2 THR B 70 -39.365 -16.033 -8.855 1.00 22.54 C ATOM 1473 HG1 THR B 70 -41.412 -17.864 -7.074 1.00 0.00 H ATOM 1474 H THR B 70 -38.568 -16.757 -6.241 1.00 0.00 H ATOM 1475 N ARG B 71 -42.512 -14.797 -5.829 1.00 12.47 N ATOM 1476 CA ARG B 71 -43.788 -14.812 -5.104 1.00 16.67 C ATOM 1477 C ARG B 71 -43.645 -14.465 -3.622 1.00 15.40 C ATOM 1478 O ARG B 71 -44.606 -14.587 -2.861 1.00 14.81 O ATOM 1479 CB ARG B 71 -44.530 -16.148 -5.271 1.00 17.60 C ATOM 1480 CG ARG B 71 -44.633 -16.605 -6.713 1.00 16.39 C ATOM 1481 CD ARG B 71 -45.403 -17.895 -6.833 1.00 17.18 C ATOM 1482 NE ARG B 71 -45.370 -18.373 -8.210 1.00 16.29 N ATOM 1483 CZ ARG B 71 -45.862 -19.535 -8.618 1.00 16.68 C ATOM 1484 NH1 ARG B 71 -46.447 -20.355 -7.757 1.00 13.90 N ATOM 1485 NH2 ARG B 71 -45.776 -19.864 -9.902 1.00 13.87 N ATOM 1486 HE ARG B 71 -44.929 -17.758 -8.924 1.00 0.00 H ATOM 1487 HH12 ARG B 71 -46.831 -21.265 -8.084 1.00 0.00 H ATOM 1488 HH11 ARG B 71 -46.522 -20.089 -6.754 1.00 0.00 H ATOM 1489 HH22 ARG B 71 -46.159 -20.773 -10.233 1.00 0.00 H ATOM 1490 HH21 ARG B 71 -45.326 -19.213 -10.577 1.00 0.00 H ATOM 1491 H ARG B 71 -42.345 -14.015 -6.494 1.00 0.00 H ATOM 1492 N HIS B 72 -42.457 -14.010 -3.227 1.00 15.04 N ATOM 1493 CA HIS B 72 -42.215 -13.651 -1.833 1.00 13.28 C ATOM 1494 C HIS B 72 -41.540 -12.280 -1.704 1.00 13.46 C ATOM 1495 O HIS B 72 -40.483 -12.167 -1.087 1.00 15.93 O ATOM 1496 CB HIS B 72 -41.380 -14.742 -1.143 1.00 12.49 C ATOM 1497 CG HIS B 72 -42.081 -16.061 -1.041 1.00 16.53 C ATOM 1498 ND1 HIS B 72 -42.175 -16.942 -2.097 1.00 20.59 N ATOM 1499 CD2 HIS B 72 -42.747 -16.641 -0.010 1.00 20.98 C ATOM 1500 CE1 HIS B 72 -42.860 -18.008 -1.721 1.00 21.90 C ATOM 1501 NE2 HIS B 72 -43.220 -17.849 -0.461 1.00 19.35 N ATOM 1502 H HIS B 72 -41.690 -13.909 -3.922 1.00 0.00 H ATOM 1503 N PHE B 73 -42.158 -11.249 -2.279 1.00 13.65 N ATOM 1504 CA PHE B 73 -41.605 -9.892 -2.232 1.00 13.88 C ATOM 1505 C PHE B 73 -42.726 -8.864 -2.210 1.00 14.68 C ATOM 1506 O PHE B 73 -43.636 -8.895 -3.050 1.00 17.10 O ATOM 1507 CB PHE B 73 -40.692 -9.647 -3.443 1.00 14.91 C ATOM 1508 CG PHE B 73 -40.154 -8.244 -3.537 1.00 16.13 C ATOM 1509 CD1 PHE B 73 -40.864 -7.253 -4.205 1.00 19.19 C ATOM 1510 CD2 PHE B 73 -38.921 -7.927 -2.982 1.00 14.53 C ATOM 1511 CE1 PHE B 73 -40.363 -5.961 -4.298 1.00 21.51 C ATOM 1512 CE2 PHE B 73 -38.407 -6.646 -3.077 1.00 16.08 C ATOM 1513 CZ PHE B 73 -39.133 -5.657 -3.731 1.00 16.76 C ATOM 1514 H PHE B 73 -43.058 -11.411 -2.775 1.00 0.00 H ATOM 1515 N ILE B 74 -42.666 -7.945 -1.256 1.00 12.85 N ATOM 1516 CA ILE B 74 -43.602 -6.841 -1.259 1.00 10.26 C ATOM 1517 C ILE B 74 -42.929 -5.576 -0.765 1.00 13.86 C ATOM 1518 O ILE B 74 -42.147 -5.603 0.184 1.00 12.56 O ATOM 1519 CB ILE B 74 -44.894 -7.152 -0.459 1.00 11.08 C ATOM 1520 CG1 ILE B 74 -45.956 -6.080 -0.713 1.00 17.50 C ATOM 1521 CG2 ILE B 74 -44.615 -7.319 1.056 1.00 13.63 C ATOM 1522 CD1 ILE B 74 -47.259 -6.355 0.030 1.00 20.26 C ATOM 1523 H ILE B 74 -41.948 -8.017 -0.507 1.00 0.00 H ATOM 1524 N TYR B 75 -43.231 -4.479 -1.442 1.00 13.71 N ATOM 1525 CA TYR B 75 -42.744 -3.164 -1.066 1.00 14.76 C ATOM 1526 C TYR B 75 -43.946 -2.226 -1.049 1.00 15.72 C ATOM 1527 O TYR B 75 -44.564 -1.966 -2.086 1.00 16.07 O ATOM 1528 CB TYR B 75 -41.684 -2.687 -2.063 1.00 12.37 C ATOM 1529 CG TYR B 75 -41.190 -1.287 -1.792 1.00 13.41 C ATOM 1530 CD1 TYR B 75 -40.572 -0.969 -0.592 1.00 14.61 C ATOM 1531 CD2 TYR B 75 -41.329 -0.286 -2.744 1.00 17.47 C ATOM 1532 CE1 TYR B 75 -40.117 0.322 -0.342 1.00 14.31 C ATOM 1533 CE2 TYR B 75 -40.881 0.994 -2.509 1.00 16.93 C ATOM 1534 CZ TYR B 75 -40.275 1.295 -1.311 1.00 15.32 C ATOM 1535 OH TYR B 75 -39.829 2.581 -1.081 1.00 17.14 O ATOM 1536 HH TYR B 75 -40.593 3.208 -1.134 1.00 0.00 H ATOM 1537 H TYR B 75 -43.843 -4.563 -2.279 1.00 0.00 H ATOM 1538 N PHE B 76 -44.287 -1.726 0.132 1.00 13.83 N ATOM 1539 CA PHE B 76 -45.494 -0.914 0.265 1.00 15.15 C ATOM 1540 C PHE B 76 -45.341 0.217 1.264 1.00 18.17 C ATOM 1541 O PHE B 76 -44.418 0.225 2.079 1.00 15.21 O ATOM 1542 CB PHE B 76 -46.712 -1.787 0.623 1.00 16.64 C ATOM 1543 CG PHE B 76 -46.605 -2.505 1.950 1.00 13.44 C ATOM 1544 CD1 PHE B 76 -47.350 -2.084 3.035 1.00 13.75 C ATOM 1545 CD2 PHE B 76 -45.802 -3.635 2.092 1.00 14.01 C ATOM 1546 CE1 PHE B 76 -47.276 -2.746 4.256 1.00 15.58 C ATOM 1547 CE2 PHE B 76 -45.720 -4.308 3.300 1.00 16.71 C ATOM 1548 CZ PHE B 76 -46.463 -3.866 4.388 1.00 15.34 C ATOM 1549 H PHE B 76 -43.693 -1.913 0.965 1.00 0.00 H ATOM 1550 N TYR B 77 -46.253 1.177 1.183 1.00 15.00 N ATOM 1551 CA TYR B 77 -46.309 2.247 2.153 1.00 16.11 C ATOM 1552 C TYR B 77 -47.526 2.070 3.037 1.00 22.53 C ATOM 1553 O TYR B 77 -48.608 1.719 2.558 1.00 22.92 O ATOM 1554 CB TYR B 77 -46.405 3.595 1.445 1.00 19.38 C ATOM 1555 CG TYR B 77 -45.082 4.218 1.088 1.00 21.01 C ATOM 1556 CD1 TYR B 77 -44.364 3.788 -0.019 1.00 23.11 C ATOM 1557 CD2 TYR B 77 -44.560 5.254 1.849 1.00 21.35 C ATOM 1558 CE1 TYR B 77 -43.158 4.374 -0.357 1.00 21.88 C ATOM 1559 CE2 TYR B 77 -43.355 5.840 1.522 1.00 25.62 C ATOM 1560 CZ TYR B 77 -42.661 5.393 0.420 1.00 22.13 C ATOM 1561 OH TYR B 77 -41.464 5.978 0.086 1.00 30.17 O ATOM 1562 HH TYR B 77 -41.100 5.542 -0.725 1.00 0.00 H ATOM 1563 H TYR B 77 -46.943 1.159 0.405 1.00 0.00 H ATOM 1564 N LEU B 78 -47.338 2.292 4.331 1.00 20.29 N ATOM 1565 CA LEU B 78 -48.451 2.479 5.244 1.00 23.53 C ATOM 1566 C LEU B 78 -48.391 3.930 5.649 1.00 27.36 C ATOM 1567 O LEU B 78 -47.578 4.323 6.491 1.00 24.46 O ATOM 1568 CB LEU B 78 -48.332 1.580 6.467 1.00 23.75 C ATOM 1569 CG LEU B 78 -49.030 0.237 6.302 1.00 25.99 C ATOM 1570 CD1 LEU B 78 -48.986 -0.549 7.583 1.00 23.95 C ATOM 1571 CD2 LEU B 78 -50.463 0.471 5.888 1.00 28.12 C ATOM 1572 H LEU B 78 -46.367 2.333 4.702 1.00 0.00 H ATOM 1573 N GLY B 79 -49.235 4.738 5.022 1.00 25.99 N ATOM 1574 CA GLY B 79 -49.107 6.171 5.146 1.00 32.06 C ATOM 1575 C GLY B 79 -47.795 6.604 4.527 1.00 25.85 C ATOM 1576 O GLY B 79 -47.550 6.393 3.347 1.00 26.79 O ATOM 1577 H GLY B 79 -49.995 4.337 4.436 1.00 0.00 H ATOM 1578 N GLN B 80 -46.931 7.168 5.354 1.00 26.71 N ATOM 1579 CA GLN B 80 -45.697 7.800 4.907 1.00 29.59 C ATOM 1580 C GLN B 80 -44.470 6.914 5.164 1.00 25.07 C ATOM 1581 O GLN B 80 -43.344 7.262 4.787 1.00 23.85 O ATOM 1582 CB GLN B 80 -45.539 9.129 5.644 1.00 28.99 C ATOM 1583 CG GLN B 80 -45.756 9.007 7.158 1.00 34.32 C ATOM 1584 CD GLN B 80 -47.218 8.856 7.570 1.00 38.55 C ATOM 1585 OE1 GLN B 80 -48.102 9.517 7.020 1.00 47.17 O ATOM 1586 NE2 GLN B 80 -47.477 7.969 8.530 1.00 36.70 N ATOM 1587 HE22 GLN B 80 -46.700 7.433 8.966 1.00 0.00 H ATOM 1588 HE21 GLN B 80 -48.456 7.812 8.843 1.00 0.00 H ATOM 1589 H GLN B 80 -47.143 7.160 6.372 1.00 0.00 H ATOM 1590 N VAL B 81 -44.691 5.771 5.802 1.00 20.40 N ATOM 1591 CA VAL B 81 -43.600 4.861 6.120 1.00 18.74 C ATOM 1592 C VAL B 81 -43.553 3.747 5.100 1.00 16.12 C ATOM 1593 O VAL B 81 -44.582 3.130 4.819 1.00 14.72 O ATOM 1594 CB VAL B 81 -43.809 4.222 7.479 1.00 20.43 C ATOM 1595 CG1 VAL B 81 -42.549 3.489 7.918 1.00 18.85 C ATOM 1596 CG2 VAL B 81 -44.180 5.274 8.479 1.00 23.93 C ATOM 1597 H VAL B 81 -45.662 5.521 6.080 1.00 0.00 H ATOM 1598 N ALA B 82 -42.360 3.469 4.574 1.00 14.63 N ATOM 1599 CA ALA B 82 -42.184 2.388 3.606 1.00 13.38 C ATOM 1600 C ALA B 82 -41.815 1.076 4.283 1.00 12.86 C ATOM 1601 O ALA B 82 -41.052 1.050 5.248 1.00 11.75 O ATOM 1602 CB ALA B 82 -41.138 2.760 2.539 1.00 15.19 C ATOM 1603 H ALA B 82 -41.535 4.035 4.859 1.00 0.00 H ATOM 1604 N ILE B 83 -42.369 -0.020 3.776 1.00 11.54 N ATOM 1605 CA ILE B 83 -42.029 -1.346 4.270 1.00 12.04 C ATOM 1606 C ILE B 83 -41.604 -2.269 3.135 1.00 12.90 C ATOM 1607 O ILE B 83 -42.319 -2.426 2.130 1.00 11.56 O ATOM 1608 CB ILE B 83 -43.190 -1.948 5.069 1.00 12.79 C ATOM 1609 CG1 ILE B 83 -43.557 -0.990 6.201 1.00 16.26 C ATOM 1610 CG2 ILE B 83 -42.830 -3.348 5.600 1.00 11.09 C ATOM 1611 CD1 ILE B 83 -44.708 -1.415 7.005 1.00 22.71 C ATOM 1612 H ILE B 83 -43.063 0.072 3.007 1.00 0.00 H ATOM 1613 N LEU B 84 -40.421 -2.853 3.301 1.00 9.32 N ATOM 1614 CA LEU B 84 -39.901 -3.874 2.407 1.00 10.05 C ATOM 1615 C LEU B 84 -39.875 -5.193 3.160 1.00 10.45 C ATOM 1616 O LEU B 84 -39.269 -5.299 4.230 1.00 10.81 O ATOM 1617 CB LEU B 84 -38.487 -3.517 1.949 1.00 11.08 C ATOM 1618 CG LEU B 84 -37.691 -4.662 1.310 1.00 12.13 C ATOM 1619 CD1 LEU B 84 -38.391 -5.128 0.054 1.00 11.01 C ATOM 1620 CD2 LEU B 84 -36.256 -4.238 1.000 1.00 12.07 C ATOM 1621 H LEU B 84 -39.838 -2.564 4.112 1.00 0.00 H ATOM 1622 N LEU B 85 -40.540 -6.199 2.600 1.00 10.02 N ATOM 1623 CA LEU B 85 -40.604 -7.522 3.221 1.00 10.57 C ATOM 1624 C LEU B 85 -40.390 -8.582 2.148 1.00 11.07 C ATOM 1625 O LEU B 85 -41.087 -8.600 1.141 1.00 12.69 O ATOM 1626 CB LEU B 85 -41.965 -7.711 3.896 1.00 11.04 C ATOM 1627 CG LEU B 85 -42.269 -9.066 4.546 1.00 10.66 C ATOM 1628 CD1 LEU B 85 -41.316 -9.365 5.713 1.00 9.63 C ATOM 1629 CD2 LEU B 85 -43.721 -9.111 5.002 1.00 12.37 C ATOM 1630 H LEU B 85 -41.028 -6.041 1.695 1.00 0.00 H ATOM 1631 N PHE B 86 -39.408 -9.449 2.345 1.00 9.16 N ATOM 1632 CA PHE B 86 -39.107 -10.431 1.317 1.00 10.70 C ATOM 1633 C PHE B 86 -38.449 -11.662 1.897 1.00 11.88 C ATOM 1634 O PHE B 86 -37.863 -11.629 2.984 1.00 9.89 O ATOM 1635 CB PHE B 86 -38.230 -9.825 0.214 1.00 9.13 C ATOM 1636 CG PHE B 86 -36.830 -9.492 0.661 1.00 9.81 C ATOM 1637 CD1 PHE B 86 -36.570 -8.321 1.370 1.00 11.22 C ATOM 1638 CD2 PHE B 86 -35.777 -10.352 0.376 1.00 9.65 C ATOM 1639 CE1 PHE B 86 -35.280 -8.007 1.782 1.00 9.78 C ATOM 1640 CE2 PHE B 86 -34.484 -10.050 0.782 1.00 11.41 C ATOM 1641 CZ PHE B 86 -34.235 -8.874 1.490 1.00 8.55 C ATOM 1642 H PHE B 86 -38.858 -9.427 3.227 1.00 0.00 H ATOM 1643 N LYS B 87 -38.550 -12.764 1.165 1.00 10.56 N ATOM 1644 CA LYS B 87 -37.905 -13.990 1.586 1.00 11.53 C ATOM 1645 C LYS B 87 -36.698 -14.269 0.714 1.00 14.63 C ATOM 1646 O LYS B 87 -36.785 -14.195 -0.513 1.00 14.87 O ATOM 1647 CB LYS B 87 -38.868 -15.174 1.513 1.00 13.00 C ATOM 1648 CG LYS B 87 -38.178 -16.472 1.901 1.00 17.79 C ATOM 1649 CD LYS B 87 -39.117 -17.659 1.846 1.00 25.23 C ATOM 1650 CE LYS B 87 -39.670 -17.966 3.202 1.00 21.99 C ATOM 1651 NZ LYS B 87 -40.171 -19.375 3.250 1.00 21.69 N ATOM 1652 HZ1 LYS B 87 -40.921 -19.499 2.540 1.00 0.00 H ATOM 1653 HZ2 LYS B 87 -39.387 -20.027 3.046 1.00 0.00 H ATOM 1654 HZ3 LYS B 87 -40.552 -19.574 4.197 1.00 0.00 H ATOM 1655 H LYS B 87 -39.097 -12.747 0.281 1.00 0.00 H ATOM 1656 N SER B 88 -35.567 -14.584 1.334 1.00 13.04 N ATOM 1657 CA SER B 88 -34.383 -14.926 0.555 1.00 20.19 C ATOM 1658 C SER B 88 -34.451 -16.385 0.109 1.00 22.91 C ATOM 1659 O SER B 88 -33.965 -16.740 -0.971 1.00 29.91 O ATOM 1660 CB SER B 88 -33.113 -14.668 1.354 1.00 24.10 C ATOM 1661 OG SER B 88 -33.136 -15.388 2.573 1.00 15.60 O ATOM 1662 HG SER B 88 -33.204 -16.357 2.381 1.00 0.00 H ATOM 1663 H SER B 88 -35.526 -14.587 2.373 1.00 0.00 H TER 1664 SER B 88 HETATM 1665 O HOH 1 -31.016 0.835 10.368 1.00 11.55 O HETATM 1666 O HOH 2 -27.834 7.086 -8.482 1.00 13.98 O HETATM 1667 O HOH 3 -25.292 -10.415 14.369 1.00 17.14 O HETATM 1668 O HOH 4 -21.296 9.183 -11.734 1.00 15.63 O HETATM 1669 O HOH 5 -31.874 8.395 2.565 1.00 18.62 O HETATM 1670 O HOH 6 -33.214 7.741 11.816 1.00 14.96 O HETATM 1671 O HOH 7 -15.124 -10.929 14.835 1.00 21.67 O HETATM 1672 O HOH 8 -29.414 8.684 9.939 1.00 21.51 O HETATM 1673 O HOH 9 -16.060 2.744 13.583 1.00 26.64 O HETATM 1674 O HOH 10 -16.017 -12.243 7.285 1.00 18.30 O HETATM 1675 O HOH 11 -19.053 -14.973 14.541 1.00 15.32 O HETATM 1676 O HOH 12 -22.777 -9.350 -9.217 1.00 21.45 O HETATM 1677 O HOH 13 -23.822 10.180 -3.309 1.00 25.62 O HETATM 1678 O HOH 14 -17.186 -8.685 13.577 1.00 21.86 O HETATM 1679 O HOH 15 -25.489 -9.727 -8.285 1.00 26.78 O HETATM 1680 O HOH 16 -23.234 -18.733 -2.793 1.00 24.09 O HETATM 1681 O HOH 17 -22.239 -19.376 -0.449 1.00 28.07 O HETATM 1682 O HOH 18 -23.338 -12.933 14.703 1.00 27.39 O HETATM 1683 O HOH 19 -28.075 10.676 8.701 1.00 27.38 O HETATM 1684 O HOH 20 -10.304 -10.582 10.849 1.00 31.23 O HETATM 1685 O HOH 21 -26.736 -5.751 18.615 1.00 31.02 O HETATM 1686 O HOH 22 -20.088 -5.702 -10.311 1.00 38.95 O HETATM 1687 O HOH 23 -21.388 -3.367 -8.735 1.00 24.38 O HETATM 1688 O HOH 24 -9.446 -9.940 8.351 1.00 31.32 O HETATM 1689 O HOH 25 -17.455 8.280 -1.249 1.00 28.35 O HETATM 1690 O HOH 26 -23.041 -8.763 15.678 1.00 31.88 O HETATM 1691 O HOH 27 -20.010 -16.389 -7.191 1.00 26.01 O HETATM 1692 O HOH 28 -22.210 12.244 4.172 1.00 37.23 O HETATM 1693 O HOH 29 -31.769 5.656 -10.833 1.00 34.08 O HETATM 1694 O HOH 30 -26.098 -16.695 0.583 1.00 21.84 O HETATM 1695 O HOH 31 -16.576 5.159 -8.017 1.00 25.25 O HETATM 1696 O HOH 32 -17.349 -18.049 7.208 1.00 23.81 O HETATM 1697 O HOH 33 -17.305 -6.822 15.348 1.00 23.43 O HETATM 1698 O HOH 34 -26.913 -7.554 16.194 1.00 28.29 O HETATM 1699 O HOH 35 -13.255 -13.292 -5.056 1.00 34.15 O HETATM 1700 O HOH 36 -28.147 -8.758 -9.333 1.00 36.74 O HETATM 1701 O HOH 37 -15.989 -6.995 -6.605 1.00 30.81 O HETATM 1702 O HOH 38 -22.537 -1.808 -10.712 1.00 30.91 O HETATM 1703 O HOH 39 -21.421 -18.531 4.908 1.00 22.91 O HETATM 1704 O HOH 40 -26.201 4.799 18.000 1.00 36.27 O HETATM 1705 O HOH 41 -14.755 -14.388 8.902 1.00 29.10 O HETATM 1706 O HOH 42 -19.883 -19.262 3.450 1.00 34.41 O HETATM 1707 O HOH 43 -11.946 -15.748 -5.861 1.00 29.35 O HETATM 1708 O HOH 44 -27.118 -17.881 -1.584 1.00 35.12 O HETATM 1709 O HOH 45 -29.028 -20.315 -1.082 1.00 48.31 O HETATM 1710 O HOH 46 -22.300 3.602 -15.814 1.00 40.67 O HETATM 1711 O HOH 47 -25.459 2.627 -14.165 1.00 34.46 O HETATM 1712 O HOH 48 -11.592 -2.960 8.903 1.00 37.25 O HETATM 1713 O HOH 49 -33.259 12.871 8.778 1.00 31.78 O HETATM 1714 O HOH 50 -34.709 -15.346 16.145 1.00 44.47 O HETATM 1715 O HOH 51 -19.014 -17.403 1.820 1.00 38.88 O HETATM 1716 O HOH 52 -12.656 -0.911 10.906 1.00 44.87 O HETATM 1717 O HOH 53 -20.246 2.200 17.018 1.00 32.18 O HETATM 1718 O HOH 54 -22.941 -8.065 -11.490 1.00 32.48 O HETATM 1719 O HOH 55 -9.289 -7.757 0.493 1.00 43.85 O HETATM 1720 O HOH 56 -12.712 2.825 -2.530 1.00 35.57 O HETATM 1721 O HOH 57 -29.863 -10.776 -10.456 1.00 33.19 O HETATM 1722 O HOH 58 -30.843 -13.954 -11.204 1.00 34.71 O HETATM 1723 O HOH 59 -21.511 0.751 -11.914 1.00 37.14 O HETATM 1724 O HOH 60 -13.553 -12.924 5.405 1.00 34.08 O HETATM 1725 O HOH 61 -24.436 -21.314 -0.390 1.00 43.62 O HETATM 1726 O HOH 62 -26.691 3.222 20.533 1.00 36.71 O HETATM 1727 O HOH 63 -13.164 -0.795 8.156 1.00 34.68 O HETATM 1728 O HOH 64 -16.437 -15.495 3.700 1.00 36.12 O HETATM 1729 O HOH 65 -34.134 4.315 -11.911 1.00 37.68 O HETATM 1730 O HOH 66 -31.878 11.673 9.479 1.00 34.23 O HETATM 1731 O HOH 67 -20.382 8.709 9.925 1.00 32.17 O HETATM 1732 O HOH 68 -26.039 1.943 18.811 1.00 43.65 O HETATM 1733 O HOH 69 -9.771 -5.527 2.614 1.00 33.47 O HETATM 1734 O HOH 70 -23.596 -7.443 17.842 1.00 37.57 O HETATM 1735 O HOH 71 -17.849 -18.117 4.407 1.00 33.88 O HETATM 1736 O HOH 72 -26.101 5.596 20.683 1.00 36.68 O HETATM 1737 O HOH 73 -14.637 9.503 -2.226 1.00 40.88 O HETATM 1738 O HOH 74 -12.326 -13.757 10.429 1.00 34.01 O HETATM 1739 O HOH 75 -18.218 8.538 8.454 1.00 35.05 O HETATM 1740 O HOH 76 -27.836 2.143 21.517 1.00 36.00 O HETATM 1741 O HOH 77 -13.231 1.606 8.753 1.00 41.89 O HETATM 1742 O HOH 78 -27.573 -3.643 18.163 1.00 38.67 O HETATM 1743 O HOH 79 -19.013 0.876 -12.645 1.00 42.72 O HETATM 1744 O HOH 80 -25.796 -20.266 4.792 1.00 40.10 O HETATM 1745 O HOH 81 -29.540 -7.659 16.830 1.00 23.64 O HETATM 1746 O HOH 82 -40.130 6.604 15.919 1.00 14.01 O HETATM 1747 O HOH 83 -38.187 6.269 9.276 1.00 16.87 O HETATM 1748 O HOH 84 -47.089 -15.428 -2.644 1.00 22.16 O HETATM 1749 O HOH 85 -40.661 8.411 2.029 1.00 22.21 O HETATM 1750 O HOH 86 -43.937 -22.248 9.274 1.00 28.01 O HETATM 1751 O HOH 87 -41.104 0.671 19.355 1.00 20.41 O HETATM 1752 O HOH 88 -47.414 -9.954 -7.678 1.00 30.22 O HETATM 1753 O HOH 89 -45.197 -19.783 0.243 1.00 23.45 O HETATM 1754 O HOH 90 -40.380 -16.283 14.218 1.00 19.45 O HETATM 1755 O HOH 91 -37.854 -15.248 13.234 1.00 22.69 O HETATM 1756 O HOH 92 -52.942 -13.676 -6.479 1.00 30.03 O HETATM 1757 O HOH 93 -52.103 0.071 -3.589 1.00 29.19 O HETATM 1758 O HOH 94 -42.576 9.523 3.416 1.00 31.87 O HETATM 1759 O HOH 95 -41.530 -20.194 0.925 1.00 27.59 O HETATM 1760 O HOH 96 -43.453 -25.044 9.409 1.00 30.24 O HETATM 1761 O HOH 97 -41.603 -21.232 10.912 1.00 25.47 O HETATM 1762 O HOH 98 -41.161 -23.229 3.112 1.00 29.59 O HETATM 1763 O HOH 99 -49.382 -18.903 -1.926 1.00 31.52 O HETATM 1764 O HOH 100 -44.318 -13.515 -9.962 1.00 32.24 O HETATM 1765 O HOH 101 -43.795 -8.460 -9.977 1.00 32.59 O HETATM 1766 O HOH 102 -42.894 -8.308 19.454 1.00 35.12 O HETATM 1767 O HOH 103 -38.588 -21.940 3.176 1.00 30.51 O HETATM 1768 O HOH 104 -40.522 -6.318 17.948 1.00 28.70 O HETATM 1769 O HOH 105 -37.912 9.690 15.207 1.00 13.29 O HETATM 1770 O HOH 106 -38.945 9.110 9.949 1.00 32.34 O HETATM 1771 O HOH 107 -35.339 -18.674 2.803 1.00 24.18 O HETATM 1772 O HOH 108 -32.528 -15.465 -2.456 1.00 28.48 O HETATM 1773 O HOH 109 -39.256 -8.368 -8.026 1.00 23.60 O HETATM 1774 O HOH 110 -33.085 -19.841 3.982 1.00 34.13 O HETATM 1775 O HOH 111 -47.699 -17.871 -3.092 1.00 33.97 O HETATM 1776 O HOH 112 -37.682 12.366 6.567 1.00 33.63 O HETATM 1777 O HOH 113 -42.948 -23.872 11.825 1.00 33.32 O HETATM 1778 O HOH 114 -37.723 11.456 9.110 1.00 34.35 O HETATM 1779 O HOH 115 -47.038 -4.879 -8.448 1.00 36.63 O HETATM 1780 O HOH 116 -42.352 -22.647 0.424 1.00 28.00 O HETATM 1781 O HOH 117 -41.861 11.629 3.957 1.00 38.20 O HETATM 1782 O HOH 118 -37.893 6.911 14.209 1.00 20.90 O HETATM 1783 O HOH 119 -36.714 8.342 14.003 1.00 5.93 O HETATM 1784 O HOH 120 -35.799 15.295 9.701 1.00 34.26 O HETATM 1785 O HOH 121 -32.574 -17.738 2.120 1.00 29.63 O HETATM 1786 O HOH 122 -52.794 -9.541 16.478 1.00 40.19 O HETATM 1787 O HOH 123 -53.096 4.501 5.658 1.00 46.45 O HETATM 1788 O HOH 124 -42.076 -23.355 9.923 1.00 26.61 O HETATM 1789 O HOH 125 -49.659 5.165 1.917 1.00 35.11 O HETATM 1790 O HOH 126 -51.427 -17.023 -0.868 1.00 33.77 O HETATM 1791 O HOH 127 -38.083 9.024 12.509 1.00 27.64 O HETATM 1792 O HOH 128 -35.611 12.861 10.345 1.00 32.54 O HETATM 1793 O HOH 129 -51.293 3.881 3.293 1.00 35.36 O HETATM 1794 O HOH 130 -38.880 12.184 3.931 1.00 34.28 O HETATM 1795 O HOH 131 -36.511 -5.099 18.363 1.00 31.21 O HETATM 1796 O HOH 132 -40.845 4.550 22.054 1.00 33.70 O HETATM 1797 O HOH 133 -51.970 -2.425 -5.709 1.00 38.49 O HETATM 1798 O HOH 134 -50.772 -5.246 -5.632 1.00 34.79 O HETATM 1799 O HOH 135 -47.939 -7.286 -8.790 1.00 39.70 O HETATM 1800 O HOH 136 -57.301 -8.795 6.254 1.00 44.34 O HETATM 1801 O HOH 137 -47.360 -14.968 12.144 1.00 32.52 O HETATM 1802 O HOH 138 -51.352 0.894 12.654 1.00 33.71 O HETATM 1803 O HOH 139 -55.124 -2.916 14.266 1.00 50.11 O HETATM 1804 O HOH 140 -46.897 3.405 17.053 1.00 31.67 O HETATM 1805 O HOH 141 -54.332 2.885 6.471 1.00 44.72 O HETATM 1806 O HOH 142 -35.589 -14.115 14.862 1.00 33.92 O HETATM 1807 O HOH 143 -42.052 -7.123 -8.606 1.00 37.27 O HETATM 1808 O HOH 144 -51.456 -16.984 2.329 1.00 43.17 O HETATM 1809 O HOH 145 -51.695 -18.876 2.833 1.00 39.71 O HETATM 1810 O HOH 146 -35.480 6.812 12.905 1.00 12.92 O HETATM 1811 O HOH 147 -48.750 -10.519 11.306 1.00 34.68 O HETATM 1812 O HOH 148 -38.712 -8.928 18.643 1.00 31.36 O HETATM 1813 O HOH 149 -35.668 -20.399 1.611 1.00 37.92 O HETATM 1814 O HOH 150 -34.664 -21.083 5.137 1.00 31.70 O HETATM 1815 O HOH 151 -53.870 5.215 2.846 1.00 41.63 O HETATM 1816 O HOH 152 -54.997 -12.973 3.685 1.00 41.50 O HETATM 1817 O HOH 153 -55.781 2.662 2.881 1.00 42.89 O HETATM 1818 O HOH 154 -30.247 -0.086 17.794 1.00 20.98 O HETATM 1819 O HOH 155 -27.472 -3.027 15.041 1.00 20.86 O HETATM 1820 O HOH 156 -28.657 -0.477 15.387 1.00 14.76 O HETATM 1821 O HOH 157 -27.271 -10.834 16.239 1.00 18.12 O HETATM 1822 O HOH 158 -30.326 -19.030 14.567 1.00 32.48 O HETATM 1823 O HOH 159 -26.695 1.457 15.802 1.00 23.61 O HETATM 1824 O HOH 160 -28.099 3.702 15.608 1.00 27.27 O HETATM 1825 O HOH 161 -26.704 -22.022 7.810 1.00 33.92 O HETATM 1826 O HOH 162 -26.824 9.360 17.684 1.00 31.30 O HETATM 1827 O HOH 163 -33.358 6.433 15.893 1.00 13.25 O HETATM 1828 O HOH 164 -27.109 7.563 18.849 1.00 37.62 O HETATM 1829 O HOH 165 -24.859 8.748 17.548 1.00 32.70 O HETATM 1830 O HOH 166 -23.053 10.513 17.765 1.00 41.16 O HETATM 1831 O HOH 167 -35.468 8.144 15.641 1.00 18.56 O HETATM 1832 O HOH 168 -31.361 -17.857 12.358 1.00 31.02 O HETATM 1833 O HOH 169 -37.126 1.892 -0.520 1.00 14.93 O HETATM 1834 O HOH 170 -33.550 -10.816 -11.514 1.00 28.95 O HETATM 1835 O HOH 171 -41.240 4.231 -3.207 1.00 27.20 O HETATM 1836 O HOH 172 -39.029 1.930 -5.711 1.00 15.46 O HETATM 1837 O HOH 173 -35.868 -3.390 -9.245 1.00 24.03 O HETATM 1838 O HOH 174 -37.704 -8.602 -12.436 1.00 42.00 O HETATM 1839 O HOH 175 -32.902 -18.329 -9.352 1.00 34.94 O HETATM 1840 O HOH 176 -35.635 -9.433 -12.981 1.00 44.40 O HETATM 1841 O HOH 177 -36.252 9.533 -3.980 1.00 35.84 O HETATM 1842 O HOH 178 -36.649 9.146 0.555 1.00 17.93 O HETATM 1843 O HOH 179 -41.600 0.341 -6.919 1.00 38.31 O HETATM 1844 O HOH 180 -39.577 -1.044 -6.304 1.00 31.14 O HETATM 1845 O HOH 181 -39.025 6.179 -6.022 1.00 36.67 O HETATM 1846 O HOH 182 -41.792 2.886 -5.756 1.00 32.16 O HETATM 1847 O HOH 183 -32.897 -13.724 -11.527 1.00 30.83 O HETATM 1848 O HOH 184 -38.770 -12.291 -13.656 1.00 34.25 O HETATM 1849 O HOH 185 -37.617 -7.463 -9.825 1.00 29.17 O HETATM 1850 O HOH 186 -39.415 -10.172 -12.489 1.00 45.28 O HETATM 1851 N ASN A 187 -26.120 -25.211 10.041 1.00 0.24 N HETATM 1852 CA ASN A 187 -26.809 -23.955 10.325 1.00 0.06 C HETATM 1853 C ASN A 187 -25.811 -22.850 10.679 1.00 0.23 C HETATM 1854 O ASN A 187 -25.152 -22.913 11.720 1.00 -0.39 O HETATM 1855 N ASN A 187 -25.700 -21.848 9.804 1.00 -0.26 N HETATM 1856 CA ASN A 187 -24.743 -20.760 9.986 1.00 0.14 C HETATM 1857 C ASN A 187 -25.427 -19.405 10.064 1.00 0.21 C HETATM 1858 O ASN A 187 -24.811 -18.384 9.735 1.00 -0.39 O HETATM 1859 N ASN A 187 -26.684 -19.378 10.497 1.00 -0.26 N HETATM 1860 CA ASN A 187 -27.434 -18.119 10.473 1.00 0.16 C HETATM 1861 C ASN A 187 -27.880 -17.623 11.848 1.00 0.21 C HETATM 1862 O ASN A 187 -28.049 -18.401 12.787 1.00 -0.39 O HETATM 1863 N ASN A 187 -28.057 -16.309 11.948 1.00 -0.26 N HETATM 1864 CA ASN A 187 -28.527 -15.664 13.178 1.00 0.13 C HETATM 1865 C ASN A 187 -29.303 -14.418 12.770 1.00 0.20 C HETATM 1866 O ASN A 187 -29.117 -13.907 11.673 1.00 -0.39 O HETATM 1867 N ASN A 187 -30.188 -13.943 13.637 1.00 -0.26 N HETATM 1868 CA ASN A 187 -30.944 -12.730 13.353 1.00 0.14 C HETATM 1869 C ASN A 187 -30.254 -11.507 13.951 1.00 0.20 C HETATM 1870 O ASN A 187 -29.592 -11.601 14.988 1.00 -0.39 O HETATM 1871 N ASN A 187 -30.400 -10.363 13.290 1.00 -0.26 N HETATM 1872 CA ASN A 187 -29.887 -9.096 13.821 1.00 0.13 C HETATM 1873 C ASN A 187 -30.799 -7.966 13.397 1.00 0.20 C HETATM 1874 O ASN A 187 -31.444 -8.050 12.352 1.00 -0.39 O HETATM 1875 N ASN A 187 -30.838 -6.908 14.202 1.00 -0.27 N HETATM 1876 CA ASN A 187 -31.613 -5.726 13.861 1.00 0.12 C HETATM 1877 C ASN A 187 -30.767 -4.467 13.802 1.00 0.20 C HETATM 1878 O ASN A 187 -29.726 -4.399 14.452 1.00 -0.39 O HETATM 1879 N ASN A 187 -31.197 -3.471 13.024 1.00 -0.26 N HETATM 1880 CA ASN A 187 -30.491 -2.185 12.970 1.00 0.16 C HETATM 1881 C ASN A 187 -31.471 -1.029 13.097 1.00 0.21 C HETATM 1882 O ASN A 187 -32.654 -1.174 12.777 1.00 -0.39 O HETATM 1883 N ASN A 187 -30.972 0.115 13.559 1.00 -0.26 N HETATM 1884 CA ASN A 187 -31.772 1.325 13.665 1.00 0.13 C HETATM 1885 C ASN A 187 -30.868 2.501 13.314 1.00 0.20 C HETATM 1886 O ASN A 187 -29.739 2.570 13.802 1.00 -0.39 O HETATM 1887 N ASN A 187 -31.340 3.414 12.466 1.00 -0.26 N HETATM 1888 CA ASN A 187 -30.570 4.618 12.145 1.00 0.16 C HETATM 1889 C ASN A 187 -30.610 5.589 13.325 1.00 0.21 C HETATM 1890 O ASN A 187 -31.548 5.556 14.127 1.00 -0.39 O HETATM 1891 N ASN A 187 -29.585 6.433 13.427 1.00 -0.26 N HETATM 1892 CA ASN A 187 -29.495 7.430 14.492 1.00 0.14 C HETATM 1893 C ASN A 187 -30.579 8.488 14.307 1.00 0.21 C HETATM 1894 O ASN A 187 -31.060 8.686 13.190 1.00 -0.39 O HETATM 1895 N ASN A 187 -30.967 9.172 15.403 1.00 -0.26 N HETATM 1896 CA ASN A 187 -32.055 10.162 15.374 1.00 0.10 C HETATM 1897 C ASN A 187 -31.822 11.277 14.355 1.00 0.06 C HETATM 1898 O ASN A 187 -30.684 11.692 14.114 1.00 -0.57 O HETATM 1899 OXT ASN A 187 -32.768 11.788 13.746 1.00 -0.57 O HETATM 1900 CB ASN A 187 -32.038 10.754 16.790 1.00 -0.02 C HETATM 1901 CG ASN A 187 -31.403 9.730 17.640 1.00 -0.03 C HETATM 1902 CD ASN A 187 -30.421 8.986 16.760 1.00 0.04 C HETATM 1903 H ASN A 187 -29.413 9.419 16.841 1.00 0.05 H HETATM 1904 H ASN A 187 -30.384 7.919 17.026 1.00 0.05 H HETATM 1905 H ASN A 187 -32.163 9.037 18.031 1.00 0.03 H HETATM 1906 H ASN A 187 -30.875 10.207 18.479 1.00 0.03 H HETATM 1907 H ASN A 187 -33.063 10.957 17.134 1.00 0.03 H HETATM 1908 H ASN A 187 -31.454 11.686 16.810 1.00 0.03 H HETATM 1909 H ASN A 187 -33.016 9.670 15.161 1.00 0.07 H HETATM 1910 CB ASN A 187 -28.109 8.087 14.458 1.00 0.04 C HETATM 1911 CG ASN A 187 -27.018 7.162 14.940 1.00 0.04 C HETATM 1912 OD1 ASN A 187 -27.349 6.175 15.625 1.00 -0.57 O HETATM 1913 OD2 ASN A 187 -25.835 7.435 14.643 1.00 -0.57 O HETATM 1914 H ASN A 187 -28.125 8.979 15.102 1.00 0.05 H HETATM 1915 H ASN A 187 -27.886 8.386 13.423 1.00 0.05 H HETATM 1916 H ASN A 187 -29.637 6.935 15.464 1.00 0.08 H HETATM 1917 H ASN A 187 -28.850 6.383 12.751 1.00 0.19 H HETATM 1918 CB ASN A 187 -31.086 5.332 10.861 1.00 0.09 C HETATM 1919 OG1 ASN A 187 -32.520 5.375 10.879 1.00 -0.39 O HETATM 1920 H ASN A 187 -32.812 5.853 11.646 1.00 0.21 H HETATM 1921 CG2 ASN A 187 -30.615 4.594 9.573 1.00 -0.03 C HETATM 1922 H ASN A 187 -30.996 5.123 8.687 1.00 0.03 H HETATM 1923 H ASN A 187 -31.001 3.564 9.579 1.00 0.03 H HETATM 1924 H ASN A 187 -29.516 4.574 9.543 1.00 0.03 H HETATM 1925 H ASN A 187 -30.693 6.359 10.845 1.00 0.06 H HETATM 1926 H ASN A 187 -29.526 4.318 11.972 1.00 0.08 H HETATM 1927 H ASN A 187 -32.235 3.275 12.042 1.00 0.19 H HETATM 1928 CB ASN A 187 -32.299 1.465 15.103 1.00 0.00 C HETATM 1929 CG ASN A 187 -33.104 2.736 15.378 1.00 0.04 C HETATM 1930 CD ASN A 187 -34.454 2.768 14.679 1.00 0.17 C HETATM 1931 OE1 ASN A 187 -34.992 1.734 14.269 1.00 -0.40 O HETATM 1932 NE2 ASN A 187 -35.015 3.970 14.542 1.00 -0.30 N HETATM 1933 H ASN A 187 -35.903 4.059 14.091 1.00 0.18 H HETATM 1934 H ASN A 187 -34.548 4.782 14.890 1.00 0.18 H HETATM 1935 H ASN A 187 -32.516 3.600 15.037 1.00 0.05 H HETATM 1936 H ASN A 187 -33.273 2.812 16.462 1.00 0.05 H HETATM 1937 H ASN A 187 -31.436 1.454 15.785 1.00 0.03 H HETATM 1938 H ASN A 187 -32.945 0.600 15.315 1.00 0.03 H HETATM 1939 H ASN A 187 -32.620 1.281 12.965 1.00 0.08 H HETATM 1940 H ASN A 187 -30.014 0.144 13.843 1.00 0.19 H HETATM 1941 CB ASN A 187 -29.671 -1.988 11.674 1.00 0.09 C HETATM 1942 OG1 ASN A 187 -30.552 -1.857 10.552 1.00 -0.39 O HETATM 1943 H ASN A 187 -31.080 -2.643 10.472 1.00 0.21 H HETATM 1944 CG2 ASN A 187 -28.713 -3.151 11.438 1.00 -0.03 C HETATM 1945 H ASN A 187 -28.148 -2.978 10.510 1.00 0.03 H HETATM 1946 H ASN A 187 -29.286 -4.086 11.349 1.00 0.03 H HETATM 1947 H ASN A 187 -28.014 -3.228 12.284 1.00 0.03 H HETATM 1948 H ASN A 187 -29.082 -1.064 11.772 1.00 0.06 H HETATM 1949 H ASN A 187 -29.796 -2.151 13.822 1.00 0.08 H HETATM 1950 H ASN A 187 -32.017 -3.604 12.467 1.00 0.19 H HETATM 1951 H ASN A 187 -32.397 -5.588 14.620 1.00 0.08 H HETATM 1952 H ASN A 187 -32.079 -5.883 12.877 1.00 0.08 H HETATM 1953 H ASN A 187 -30.324 -6.926 15.059 1.00 0.19 H HETATM 1954 CB ASN A 187 -28.464 -8.823 13.335 1.00 -0.02 C HETATM 1955 H ASN A 187 -28.111 -7.868 13.751 1.00 0.03 H HETATM 1956 H ASN A 187 -28.456 -8.770 12.236 1.00 0.03 H HETATM 1957 H ASN A 187 -27.801 -9.635 13.668 1.00 0.03 H HETATM 1958 H ASN A 187 -29.877 -9.154 14.919 1.00 0.08 H HETATM 1959 H ASN A 187 -30.872 -10.367 12.408 1.00 0.19 H HETATM 1960 CB ASN A 187 -32.354 -12.852 13.930 1.00 0.03 C HETATM 1961 SG ASN A 187 -33.332 -14.161 13.190 1.00 -0.17 S HETATM 1962 H ASN A 187 -34.244 -14.181 13.619 1.00 0.10 H HETATM 1963 H ASN A 187 -32.877 -11.897 13.771 1.00 0.04 H HETATM 1964 H ASN A 187 -32.271 -13.050 15.009 1.00 0.04 H HETATM 1965 H ASN A 187 -31.012 -12.602 12.263 1.00 0.08 H HETATM 1966 H ASN A 187 -30.339 -14.425 14.500 1.00 0.19 H HETATM 1967 CB ASN A 187 -27.346 -15.300 14.123 1.00 -0.00 C HETATM 1968 CG1 ASN A 187 -27.839 -14.922 15.525 1.00 -0.05 C HETATM 1969 CD1 ASN A 187 -28.453 -16.089 16.267 1.00 -0.06 C HETATM 1970 H ASN A 187 -28.786 -15.757 17.261 1.00 0.02 H HETATM 1971 H ASN A 187 -27.704 -16.887 16.379 1.00 0.02 H HETATM 1972 H ASN A 187 -29.315 -16.471 15.700 1.00 0.02 H HETATM 1973 H ASN A 187 -28.596 -14.130 15.429 1.00 0.03 H HETATM 1974 H ASN A 187 -26.985 -14.545 16.108 1.00 0.03 H HETATM 1975 CG2 ASN A 187 -26.481 -14.180 13.544 1.00 -0.06 C HETATM 1976 H ASN A 187 -26.136 -14.466 12.540 1.00 0.02 H HETATM 1977 H ASN A 187 -25.612 -14.013 14.197 1.00 0.02 H HETATM 1978 H ASN A 187 -27.073 -13.255 13.479 1.00 0.02 H HETATM 1979 H ASN A 187 -26.714 -16.195 14.220 1.00 0.03 H HETATM 1980 H ASN A 187 -29.200 -16.352 13.711 1.00 0.08 H HETATM 1981 H ASN A 187 -27.861 -15.737 11.151 1.00 0.19 H HETATM 1982 CB ASN A 187 -28.641 -18.176 9.503 1.00 0.09 C HETATM 1983 OG1 ASN A 187 -29.585 -19.152 9.950 1.00 -0.39 O HETATM 1984 H ASN A 187 -29.893 -18.919 10.818 1.00 0.21 H HETATM 1985 CG2 ASN A 187 -28.176 -18.522 8.081 1.00 -0.03 C HETATM 1986 H ASN A 187 -29.046 -18.558 7.409 1.00 0.03 H HETATM 1987 H ASN A 187 -27.677 -19.502 8.087 1.00 0.03 H HETATM 1988 H ASN A 187 -27.472 -17.754 7.729 1.00 0.03 H HETATM 1989 H ASN A 187 -29.128 -17.190 9.487 1.00 0.06 H HETATM 1990 H ASN A 187 -26.743 -17.360 10.078 1.00 0.08 H HETATM 1991 H ASN A 187 -27.116 -20.213 10.838 1.00 0.19 H HETATM 1992 CB ASN A 187 -23.751 -20.705 8.822 1.00 0.02 C HETATM 1993 CG ASN A 187 -23.064 -22.006 8.518 1.00 -0.05 C HETATM 1994 CD1 ASN A 187 -22.316 -22.654 9.486 1.00 -0.07 C HETATM 1995 CE1 ASN A 187 -21.675 -23.837 9.214 1.00 -0.04 C HETATM 1996 CZ ASN A 187 -21.767 -24.388 7.950 1.00 0.08 C HETATM 1997 CE2 ASN A 187 -22.496 -23.761 6.960 1.00 -0.04 C HETATM 1998 CD2 ASN A 187 -23.138 -22.574 7.246 1.00 -0.07 C HETATM 1999 H ASN A 187 -23.708 -22.075 6.471 1.00 0.05 H HETATM 2000 H ASN A 187 -22.563 -24.196 5.969 1.00 0.05 H HETATM 2001 OH ASN A 187 -21.118 -25.575 7.697 1.00 -0.34 O HETATM 2002 H ASN A 187 -20.669 -25.863 8.483 1.00 0.25 H HETATM 2003 H ASN A 187 -21.100 -24.336 9.986 1.00 0.05 H HETATM 2004 H ASN A 187 -22.235 -22.220 10.476 1.00 0.05 H HETATM 2005 H ASN A 187 -22.980 -19.959 9.065 1.00 0.05 H HETATM 2006 H ASN A 187 -24.297 -20.388 7.921 1.00 0.05 H HETATM 2007 H ASN A 187 -24.193 -20.937 10.922 1.00 0.08 H HETATM 2008 H ASN A 187 -26.291 -21.842 8.998 1.00 0.19 H HETATM 2009 CB ASN A 187 -27.818 -24.149 11.455 1.00 -0.00 C HETATM 2010 H ASN A 187 -28.329 -23.196 11.658 1.00 0.03 H HETATM 2011 H ASN A 187 -27.293 -24.484 12.362 1.00 0.03 H HETATM 2012 H ASN A 187 -28.559 -24.906 11.159 1.00 0.03 H HETATM 2013 H ASN A 187 -27.355 -23.649 9.421 1.00 0.11 H HETATM 2014 H ASN A 187 -26.797 -25.921 9.811 1.00 0.20 H HETATM 2015 H ASN A 187 -25.595 -25.497 10.853 1.00 0.20 H HETATM 2016 H ASN A 187 -25.492 -25.081 9.263 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 833 834 838 839 840 CONECT 838 833 CONECT 839 833 CONECT 840 833 CONECT 1851 1852 2014 2015 2016 CONECT 1852 1851 1853 2009 2013 CONECT 1853 1852 1854 1855 CONECT 1854 1853 CONECT 1855 1853 1856 2008 CONECT 1856 1855 1857 1992 2007 CONECT 1857 1856 1858 1859 CONECT 1858 1857 CONECT 1859 1857 1860 1991 CONECT 1860 1859 1861 1982 1990 CONECT 1861 1860 1862 1863 CONECT 1862 1861 CONECT 1863 1861 1864 1981 CONECT 1864 1863 1865 1967 1980 CONECT 1865 1864 1866 1867 CONECT 1866 1865 CONECT 1867 1865 1868 1966 CONECT 1868 1867 1869 1960 1965 CONECT 1869 1868 1870 1871 CONECT 1870 1869 CONECT 1871 1869 1872 1959 CONECT 1872 1871 1873 1954 1958 CONECT 1873 1872 1874 1875 CONECT 1874 1873 CONECT 1875 1873 1876 1953 CONECT 1876 1875 1877 1951 1952 CONECT 1877 1876 1878 1879 CONECT 1878 1877 CONECT 1879 1877 1880 1950 CONECT 1880 1879 1881 1941 1949 CONECT 1881 1880 1882 1883 CONECT 1882 1881 CONECT 1883 1881 1884 1940 CONECT 1884 1883 1885 1928 1939 CONECT 1885 1884 1886 1887 CONECT 1886 1885 CONECT 1887 1885 1888 1927 CONECT 1888 1887 1889 1918 1926 CONECT 1889 1888 1890 1891 CONECT 1890 1889 CONECT 1891 1889 1892 1917 CONECT 1892 1891 1893 1910 1916 CONECT 1893 1892 1894 1895 CONECT 1894 1893 CONECT 1895 1893 1896 1902 CONECT 1896 1895 1897 1900 1909 CONECT 1897 1896 1898 1899 CONECT 1898 1897 CONECT 1899 1897 CONECT 1900 1896 1901 1907 1908 CONECT 1901 1900 1902 1905 1906 CONECT 1902 1895 1901 1903 1904 CONECT 1903 1902 CONECT 1904 1902 CONECT 1905 1901 CONECT 1906 1901 CONECT 1907 1900 CONECT 1908 1900 CONECT 1909 1896 CONECT 1910 1892 1911 1914 1915 CONECT 1911 1910 1912 1913 CONECT 1912 1911 CONECT 1913 1911 CONECT 1914 1910 CONECT 1915 1910 CONECT 1916 1892 CONECT 1917 1891 CONECT 1918 1888 1919 1921 1925 CONECT 1919 1918 1920 CONECT 1920 1919 CONECT 1921 1918 1922 1923 1924 CONECT 1922 1921 CONECT 1923 1921 CONECT 1924 1921 CONECT 1925 1918 CONECT 1926 1888 CONECT 1927 1887 CONECT 1928 1884 1929 1937 1938 CONECT 1929 1928 1930 1935 1936 CONECT 1930 1929 1931 1932 CONECT 1931 1930 CONECT 1932 1930 1933 1934 CONECT 1933 1932 CONECT 1934 1932 CONECT 1935 1929 CONECT 1936 1929 CONECT 1937 1928 CONECT 1938 1928 CONECT 1939 1884 CONECT 1940 1883 CONECT 1941 1880 1942 1944 1948 CONECT 1942 1941 1943 CONECT 1943 1942 CONECT 1944 1941 1945 1946 1947 CONECT 1945 1944 CONECT 1946 1944 CONECT 1947 1944 CONECT 1948 1941 CONECT 1949 1880 CONECT 1950 1879 CONECT 1951 1876 CONECT 1952 1876 CONECT 1953 1875 CONECT 1954 1872 1955 1956 1957 CONECT 1955 1954 CONECT 1956 1954 CONECT 1957 1954 CONECT 1958 1872 CONECT 1959 1871 CONECT 1960 1868 1961 1963 1964 CONECT 1961 1960 1962 CONECT 1962 1961 CONECT 1963 1960 CONECT 1964 1960 CONECT 1965 1868 CONECT 1966 1867 CONECT 1967 1864 1968 1975 1979 CONECT 1968 1967 1969 1973 1974 CONECT 1969 1968 1970 1971 1972 CONECT 1970 1969 CONECT 1971 1969 CONECT 1972 1969 CONECT 1973 1968 CONECT 1974 1968 CONECT 1975 1967 1976 1977 1978 CONECT 1976 1975 CONECT 1977 1975 CONECT 1978 1975 CONECT 1979 1967 CONECT 1980 1864 CONECT 1981 1863 CONECT 1982 1860 1983 1985 1989 CONECT 1983 1982 1984 CONECT 1984 1983 CONECT 1985 1982 1986 1987 1988 CONECT 1986 1985 CONECT 1987 1985 CONECT 1988 1985 CONECT 1989 1982 CONECT 1990 1860 CONECT 1991 1859 CONECT 1992 1856 1993 2005 2006 CONECT 1993 1992 1994 1998 CONECT 1994 1993 1995 2004 CONECT 1995 1994 1996 2003 CONECT 1996 1995 1997 2001 CONECT 1997 1996 1998 2000 CONECT 1998 1993 1997 1999 CONECT 1999 1998 CONECT 2000 1997 CONECT 2001 1996 2002 CONECT 2002 2001 CONECT 2003 1995 CONECT 2004 1994 CONECT 2005 1992 CONECT 2006 1992 CONECT 2007 1856 CONECT 2008 1855 CONECT 2009 1852 2010 2011 2012 CONECT 2010 2009 CONECT 2011 2009 CONECT 2012 2009 CONECT 2013 1852 CONECT 2014 1851 CONECT 2015 1851 CONECT 2016 1851 MASTER 0 0 0 0 0 0 0 0 2014 2 174 14 END
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Entry Information
PDB ID
4qh7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Dynein light chain 1, cytoplasmic LC8
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.83(Å)
Affinity (Kd/Ki/IC50)
Kd=1.14uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Biol.Chem. Vol. 289: pp. 20727-20739
Ligand Properties
Formula
C
5
2
H
8
2
N
1
3
O
2
0
S
Molecular Weight
1241.350
Exact Mass
1240.550
No. of atoms
168
No. of bonds
169
Polar Surface Area
576.36
LOGP Value
-4.96 (
Computed with XLOGP3
)
-3.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(=O)O)[C@H](O)C)CCC(=O)N)[C@H](O)C)C)CS)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)Cc1ccc(cc1)O)C
InChI String
InChI=1S/C52H81N13O20S/c1-8-22(2)38(62-50(82)41(27(7)68)64-45(77)31(58-42(74)23(3)53)18-28-11-13-29(69)14-12-28)47(79)60-33(21-86)46(78)56-24(4)43(75)55-20-36(71)61-39(25(5)66)48(80)57-30(15-16-35(54)70)44(76)63-40(26(6)67)49(81)59-32(19-37(72)73)51(83)65-17-9-10-34(65)52(84)85/h11-14,22-27,30-34,38-41,66-69,86H,8-10,15-21,53H2,1-7H3,(H2,54,70)(H,55,75)(H,56,78)(H,57,80)(H,58,74)(H,59,81)(H,60,79)(H,61,71)(H,62,82)(H,63,76)(H,64,77)(H,72,73)(H,84,85)/p+1/t22-,23-,24-,25+,26+,27+,30-,31-,32-,33-,34-,38-,39-,40-,41-/m0/s1
Links to External Databases
RCSB PDB
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9XZ31
Q24117
Entrez Gene ID
NCBI Entrez Gene ID:
35878
31405
ASD
Information of known allosteric effects of PDB entries
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