Browse entries in the PDBbind-CN Database
HEADER 1OEB_COMPLEX COMPND 1OEB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 59 PRO LEU GLY SER VAL ARG TRP ALA ARG ALA LEU TYR ASP SEQRES 2 A 59 PHE GLU ALA LEU GLU GLU ASP GLU LEU GLY PHE ARG SER SEQRES 3 A 59 GLY GLU VAL VAL GLU VAL LEU ASP SER SER ASN PRO SER SEQRES 4 A 59 TRP TRP THR GLY ARG LEU HIS ASN LYS LEU GLY LEU PHE SEQRES 5 A 59 PRO ALA ASN TYR VAL ALA PRO SEQRES 1 B 55 TRP ALA ARG ALA LEU TYR ASP PHE GLU ALA LEU GLU GLU SEQRES 2 B 55 ASP GLU LEU GLY PHE ARG SER GLY GLU VAL VAL GLU VAL SEQRES 3 B 55 LEU ASP SER SER ASN PRO SER TRP TRP THR GLY ARG LEU SEQRES 4 B 55 HIS ASN LYS LEU GLY LEU PHE PRO ALA ASN TYR VAL ALA SEQRES 5 B 55 PRO MET MET HET CD A 1 1 HET NON A 354 187 ATOM 1 N PRO A -4 -13.722 -4.385 43.359 1.00 37.08 N ATOM 2 CA PRO A -4 -14.625 -4.780 42.235 1.00 37.47 C ATOM 3 C PRO A -4 -13.952 -4.719 40.851 1.00 37.35 C ATOM 4 O PRO A -4 -14.315 -5.520 39.988 1.00 37.33 O ATOM 5 CB PRO A -4 -15.756 -3.749 42.305 1.00 37.15 C ATOM 6 CG PRO A -4 -15.712 -3.193 43.685 1.00 38.12 C ATOM 7 CD PRO A -4 -14.272 -3.278 44.153 1.00 37.62 C ATOM 8 HA PRO A -4 -14.946 -5.816 42.342 1.00 0.00 H ATOM 9 HD3 PRO A -4 -13.740 -2.349 43.949 1.00 0.00 H ATOM 10 HD2 PRO A -4 -14.220 -3.499 45.219 1.00 0.00 H ATOM 11 HG3 PRO A -4 -16.355 -3.776 44.344 1.00 0.00 H ATOM 12 HG2 PRO A -4 -16.044 -2.155 43.681 1.00 0.00 H ATOM 13 HB2 PRO A -4 -15.596 -2.959 41.572 1.00 0.00 H ATOM 14 HB3 PRO A -4 -16.718 -4.227 42.118 1.00 0.00 H ATOM 15 N LEU A -3 -13.029 -3.774 40.640 1.00 37.01 N ATOM 16 CA LEU A -3 -12.368 -3.595 39.334 1.00 36.55 C ATOM 17 C LEU A -3 -10.906 -4.058 39.347 1.00 36.55 C ATOM 18 O LEU A -3 -10.084 -3.640 38.499 1.00 34.95 O ATOM 19 CB LEU A -3 -12.466 -2.141 38.872 1.00 37.31 C ATOM 20 CG LEU A -3 -13.862 -1.527 38.832 1.00 38.66 C ATOM 21 CD1 LEU A -3 -13.821 -0.101 39.346 1.00 39.31 C ATOM 22 CD2 LEU A -3 -14.451 -1.594 37.436 1.00 39.75 C ATOM 23 HA LEU A -3 -12.898 -4.229 38.623 1.00 0.00 H ATOM 24 HB2 LEU A -3 -11.859 -1.538 39.547 1.00 0.00 H ATOM 25 HB3 LEU A -3 -12.052 -2.085 37.865 1.00 0.00 H ATOM 26 HG LEU A -3 -14.513 -2.108 39.485 1.00 0.00 H ATOM 27 HD21 LEU A -3 -13.810 -1.046 36.746 1.00 0.00 H ATOM 28 HD22 LEU A -3 -14.519 -2.635 37.121 1.00 0.00 H ATOM 29 HD23 LEU A -3 -15.446 -1.149 37.441 1.00 0.00 H ATOM 30 HD11 LEU A -3 -13.458 -0.097 40.374 1.00 0.00 H ATOM 31 HD12 LEU A -3 -13.152 0.490 38.721 1.00 0.00 H ATOM 32 HD13 LEU A -3 -14.824 0.325 39.312 1.00 0.00 H ATOM 33 H LEU A -3 -12.773 -3.155 41.410 1.00 0.00 H ATOM 34 N GLY A -2 -10.600 -4.939 40.301 1.00 35.68 N ATOM 35 CA GLY A -2 -9.281 -5.524 40.420 1.00 36.72 C ATOM 36 C GLY A -2 -8.319 -4.602 41.158 1.00 37.34 C ATOM 37 O GLY A -2 -8.670 -3.459 41.473 1.00 37.62 O ATOM 38 HA3 GLY A -2 -8.889 -5.718 39.422 1.00 0.00 H ATOM 39 HA2 GLY A -2 -9.359 -6.464 40.967 1.00 0.00 H ATOM 40 H GLY A -2 -11.321 -5.210 40.970 1.00 0.00 H ATOM 41 N SER A -1 -7.108 -5.097 41.419 1.00 37.97 N ATOM 42 CA SER A -1 -6.040 -4.364 42.082 1.00 37.78 C ATOM 43 C SER A -1 -5.028 -3.706 41.175 1.00 37.56 C ATOM 44 O SER A -1 -4.129 -3.031 41.675 1.00 36.45 O ATOM 45 CB SER A -1 -5.249 -5.327 42.965 1.00 38.62 C ATOM 46 OG SER A -1 -6.070 -5.953 43.930 1.00 40.65 O ATOM 47 HA SER A -1 -6.555 -3.571 42.625 1.00 0.00 H ATOM 48 HB2 SER A -1 -4.464 -4.771 43.477 1.00 0.00 H ATOM 49 HB3 SER A -1 -4.798 -6.094 42.335 1.00 0.00 H ATOM 50 HG SER A -1 -6.761 -6.450 43.486 1.00 0.00 H ATOM 51 H SER A -1 -6.917 -6.057 41.134 1.00 0.00 H ATOM 52 N VAL A 1 -5.098 -3.988 39.875 1.00 36.28 N ATOM 53 CA VAL A 1 -4.086 -3.492 38.843 1.00 33.44 C ATOM 54 C VAL A 1 -4.678 -2.267 38.126 1.00 33.89 C ATOM 55 O VAL A 1 -5.801 -2.340 37.589 1.00 34.24 O ATOM 56 CB VAL A 1 -3.548 -4.579 37.882 1.00 33.56 C ATOM 57 CG1 VAL A 1 -2.528 -4.002 36.924 1.00 32.08 C ATOM 58 CG2 VAL A 1 -2.917 -5.732 38.712 1.00 32.63 C ATOM 59 HA VAL A 1 -3.182 -3.194 39.375 1.00 0.00 H ATOM 60 HB VAL A 1 -4.378 -4.966 37.290 1.00 0.00 H ATOM 61 HG11 VAL A 1 -2.992 -3.212 36.333 1.00 0.00 H ATOM 62 HG12 VAL A 1 -1.692 -3.591 37.490 1.00 0.00 H ATOM 63 HG13 VAL A 1 -2.168 -4.789 36.261 1.00 0.00 H ATOM 64 HG21 VAL A 1 -2.098 -5.339 39.314 1.00 0.00 H ATOM 65 HG22 VAL A 1 -3.675 -6.164 39.365 1.00 0.00 H ATOM 66 HG23 VAL A 1 -2.537 -6.499 38.037 1.00 0.00 H ATOM 67 H VAL A 1 -5.871 -4.568 39.550 1.00 0.00 H ATOM 68 N ARG A 2 -3.939 -1.146 38.176 1.00 32.53 N ATOM 69 CA ARG A 2 -4.349 0.095 37.538 1.00 32.59 C ATOM 70 C ARG A 2 -3.451 0.496 36.339 1.00 30.92 C ATOM 71 O ARG A 2 -3.871 1.278 35.505 1.00 30.99 O ATOM 72 CB ARG A 2 -4.430 1.261 38.560 1.00 32.60 C ATOM 73 CG ARG A 2 -5.460 1.065 39.745 1.00 34.66 C ATOM 74 CD ARG A 2 -6.947 1.451 39.447 1.00 36.26 C ATOM 75 NE ARG A 2 -7.519 0.601 38.404 1.00 36.79 N ATOM 76 CZ ARG A 2 -8.266 -0.480 38.623 1.00 40.29 C ATOM 77 NH1 ARG A 2 -8.592 -0.845 39.864 1.00 39.59 N ATOM 78 NH2 ARG A 2 -8.691 -1.206 37.596 1.00 36.90 N ATOM 79 HA ARG A 2 -5.345 -0.097 37.139 1.00 0.00 H ATOM 80 HB2 ARG A 2 -3.440 1.394 38.995 1.00 0.00 H ATOM 81 HB3 ARG A 2 -4.711 2.163 38.017 1.00 0.00 H ATOM 82 HG2 ARG A 2 -5.441 0.013 40.030 1.00 0.00 H ATOM 83 HG3 ARG A 2 -5.121 1.674 40.583 1.00 0.00 H ATOM 84 HD2 ARG A 2 -6.985 2.490 39.119 1.00 0.00 H ATOM 85 HD3 ARG A 2 -7.533 1.337 40.359 1.00 0.00 H ATOM 86 HE ARG A 2 -7.332 0.855 37.434 1.00 0.00 H ATOM 87 HH12 ARG A 2 -9.165 -1.675 40.018 1.00 0.00 H ATOM 88 HH11 ARG A 2 -8.269 -0.294 40.659 1.00 0.00 H ATOM 89 HH22 ARG A 2 -9.263 -2.034 37.759 1.00 0.00 H ATOM 90 HH21 ARG A 2 -8.445 -0.935 36.644 1.00 0.00 H ATOM 91 H ARG A 2 -3.054 -1.166 38.682 1.00 0.00 H ATOM 92 N TRP A 3 -2.231 -0.041 36.262 1.00 29.81 N ATOM 93 CA TRP A 3 -1.240 0.300 35.221 1.00 28.55 C ATOM 94 C TRP A 3 -0.421 -0.922 34.871 1.00 28.03 C ATOM 95 O TRP A 3 -0.108 -1.714 35.763 1.00 27.93 O ATOM 96 CB TRP A 3 -0.313 1.395 35.691 1.00 28.65 C ATOM 97 CG TRP A 3 -1.063 2.656 35.789 1.00 30.11 C ATOM 98 CD1 TRP A 3 -1.668 3.164 36.909 1.00 31.17 C ATOM 99 CD2 TRP A 3 -1.370 3.558 34.715 1.00 29.78 C ATOM 100 NE1 TRP A 3 -2.316 4.333 36.598 1.00 32.13 N ATOM 101 CE2 TRP A 3 -2.140 4.609 35.263 1.00 30.46 C ATOM 102 CE3 TRP A 3 -1.061 3.592 33.341 1.00 27.34 C ATOM 103 CZ2 TRP A 3 -2.603 5.692 34.489 1.00 31.05 C ATOM 104 CZ3 TRP A 3 -1.528 4.634 32.578 1.00 26.73 C ATOM 105 CH2 TRP A 3 -2.304 5.685 33.159 1.00 28.68 C ATOM 106 HA TRP A 3 -1.782 0.651 34.343 1.00 0.00 H ATOM 107 HB2 TRP A 3 0.092 1.135 36.669 1.00 0.00 H ATOM 108 HB3 TRP A 3 0.504 1.511 34.979 1.00 0.00 H ATOM 109 HE1 TRP A 3 -2.845 4.907 37.254 1.00 0.00 H ATOM 110 HD1 TRP A 3 -1.639 2.708 37.899 1.00 0.00 H ATOM 111 HZ2 TRP A 3 -3.178 6.503 34.936 1.00 0.00 H ATOM 112 HH2 TRP A 3 -2.663 6.496 32.526 1.00 0.00 H ATOM 113 HZ3 TRP A 3 -1.303 4.660 31.512 1.00 0.00 H ATOM 114 HE3 TRP A 3 -0.460 2.803 32.890 1.00 0.00 H ATOM 115 H TRP A 3 -1.967 -0.730 36.966 1.00 0.00 H ATOM 116 N ALA A 4 -0.112 -1.117 33.588 1.00 25.77 N ATOM 117 CA ALA A 4 0.649 -2.316 33.196 1.00 23.91 C ATOM 118 C ALA A 4 1.419 -2.123 31.912 1.00 22.91 C ATOM 119 O ALA A 4 1.017 -1.365 31.054 1.00 22.90 O ATOM 120 CB ALA A 4 -0.288 -3.568 33.092 1.00 23.58 C ATOM 121 HA ALA A 4 1.381 -2.489 33.985 1.00 0.00 H ATOM 122 HB1 ALA A 4 -0.756 -3.751 34.059 1.00 0.00 H ATOM 123 HB2 ALA A 4 -1.058 -3.382 32.344 1.00 0.00 H ATOM 124 HB3 ALA A 4 0.301 -4.438 32.801 1.00 0.00 H ATOM 125 H ALA A 4 -0.401 -0.440 32.882 1.00 0.00 H ATOM 126 N ARG A 5 2.506 -2.876 31.797 1.00 22.05 N ATOM 127 CA ARG A 5 3.416 -2.843 30.692 1.00 21.07 C ATOM 128 C ARG A 5 3.197 -4.055 29.791 1.00 20.04 C ATOM 129 O ARG A 5 3.178 -5.215 30.253 1.00 19.04 O ATOM 130 CB ARG A 5 4.827 -2.904 31.298 1.00 23.68 C ATOM 131 CG ARG A 5 5.894 -3.096 30.298 1.00 27.03 C ATOM 132 CD ARG A 5 6.406 -1.807 29.787 1.00 32.83 C ATOM 133 NE ARG A 5 6.844 -0.928 30.884 1.00 36.22 N ATOM 134 CZ ARG A 5 7.199 0.354 30.713 1.00 37.86 C ATOM 135 NH1 ARG A 5 7.149 0.890 29.500 1.00 37.53 N ATOM 136 NH2 ARG A 5 7.605 1.096 31.740 1.00 37.58 N ATOM 137 HA ARG A 5 3.270 -1.946 30.090 1.00 0.00 H ATOM 138 HB2 ARG A 5 5.015 -1.970 31.827 1.00 0.00 H ATOM 139 HB3 ARG A 5 4.863 -3.734 32.004 1.00 0.00 H ATOM 140 HG2 ARG A 5 6.715 -3.644 30.759 1.00 0.00 H ATOM 141 HG3 ARG A 5 5.496 -3.674 29.464 1.00 0.00 H ATOM 142 HD2 ARG A 5 5.615 -1.308 29.227 1.00 0.00 H ATOM 143 HD3 ARG A 5 7.252 -1.998 29.127 1.00 0.00 H ATOM 144 HE ARG A 5 6.879 -1.316 31.827 1.00 0.00 H ATOM 145 HH12 ARG A 5 7.417 1.864 29.361 1.00 0.00 H ATOM 146 HH11 ARG A 5 6.842 0.328 28.706 1.00 0.00 H ATOM 147 HH22 ARG A 5 7.871 2.069 31.592 1.00 0.00 H ATOM 148 HH21 ARG A 5 7.650 0.691 32.675 1.00 0.00 H ATOM 149 H ARG A 5 2.709 -3.529 32.554 1.00 0.00 H ATOM 150 N ALA A 6 3.041 -3.799 28.499 1.00 17.61 N ATOM 151 CA ALA A 6 2.865 -4.864 27.527 1.00 17.84 C ATOM 152 C ALA A 6 4.154 -5.663 27.387 1.00 17.57 C ATOM 153 O ALA A 6 5.213 -5.088 27.090 1.00 19.12 O ATOM 154 CB ALA A 6 2.555 -4.247 26.190 1.00 17.07 C ATOM 155 HA ALA A 6 2.059 -5.519 27.857 1.00 0.00 H ATOM 156 HB1 ALA A 6 1.641 -3.658 26.266 1.00 0.00 H ATOM 157 HB2 ALA A 6 3.380 -3.602 25.889 1.00 0.00 H ATOM 158 HB3 ALA A 6 2.420 -5.036 25.450 1.00 0.00 H ATOM 159 H ALA A 6 3.045 -2.830 28.180 1.00 0.00 H ATOM 160 N LEU A 7 4.038 -6.983 27.490 1.00 17.30 N ATOM 161 CA LEU A 7 5.193 -7.896 27.376 1.00 17.93 C ATOM 162 C LEU A 7 5.408 -8.425 25.977 1.00 19.04 C ATOM 163 O LEU A 7 6.533 -8.752 25.577 1.00 19.89 O ATOM 164 CB LEU A 7 4.959 -9.096 28.295 1.00 18.79 C ATOM 165 CG LEU A 7 4.794 -8.761 29.750 1.00 19.98 C ATOM 166 CD1 LEU A 7 4.265 -9.977 30.531 1.00 17.07 C ATOM 167 CD2 LEU A 7 6.141 -8.262 30.311 1.00 26.15 C ATOM 168 HA LEU A 7 6.077 -7.321 27.652 1.00 0.00 H ATOM 169 HB2 LEU A 7 4.056 -9.606 27.961 1.00 0.00 H ATOM 170 HB3 LEU A 7 5.812 -9.768 28.197 1.00 0.00 H ATOM 171 HG LEU A 7 4.057 -7.966 29.862 1.00 0.00 H ATOM 172 HD21 LEU A 7 6.892 -9.044 30.198 1.00 0.00 H ATOM 173 HD22 LEU A 7 6.454 -7.373 29.763 1.00 0.00 H ATOM 174 HD23 LEU A 7 6.025 -8.018 31.367 1.00 0.00 H ATOM 175 HD11 LEU A 7 3.298 -10.275 30.125 1.00 0.00 H ATOM 176 HD12 LEU A 7 4.970 -10.803 30.437 1.00 0.00 H ATOM 177 HD13 LEU A 7 4.153 -9.711 31.582 1.00 0.00 H ATOM 178 H LEU A 7 3.114 -7.382 27.654 1.00 0.00 H ATOM 179 N TYR A 8 4.308 -8.601 25.253 1.00 18.45 N ATOM 180 CA TYR A 8 4.320 -9.181 23.912 1.00 18.94 C ATOM 181 C TYR A 8 3.412 -8.337 23.050 1.00 19.26 C ATOM 182 O TYR A 8 2.489 -7.696 23.588 1.00 20.20 O ATOM 183 CB TYR A 8 3.767 -10.616 23.951 1.00 19.24 C ATOM 184 CG TYR A 8 4.543 -11.487 24.900 1.00 21.05 C ATOM 185 CD1 TYR A 8 5.790 -11.993 24.524 1.00 25.32 C ATOM 186 CD2 TYR A 8 4.064 -11.785 26.181 1.00 23.02 C ATOM 187 CE1 TYR A 8 6.535 -12.765 25.388 1.00 28.59 C ATOM 188 CE2 TYR A 8 4.832 -12.566 27.065 1.00 26.42 C ATOM 189 CZ TYR A 8 6.052 -13.055 26.643 1.00 27.05 C ATOM 190 OH TYR A 8 6.842 -13.830 27.471 1.00 32.78 O ATOM 191 HA TYR A 8 5.337 -9.205 23.521 1.00 0.00 H ATOM 192 HB3 TYR A 8 3.825 -11.044 22.950 1.00 0.00 H ATOM 193 HB2 TYR A 8 2.726 -10.585 24.271 1.00 0.00 H ATOM 194 HD2 TYR A 8 3.090 -11.410 26.496 1.00 0.00 H ATOM 195 HE2 TYR A 8 4.468 -12.782 28.070 1.00 0.00 H ATOM 196 HE1 TYR A 8 7.508 -13.146 25.077 1.00 0.00 H ATOM 197 HD1 TYR A 8 6.180 -11.773 23.530 1.00 0.00 H ATOM 198 HH TYR A 8 7.066 -13.329 28.259 1.00 0.00 H ATOM 199 H TYR A 8 3.413 -8.318 25.652 1.00 0.00 H ATOM 200 N ASP A 9 3.632 -8.351 21.733 1.00 18.44 N ATOM 201 CA ASP A 9 2.661 -7.809 20.796 1.00 17.80 C ATOM 202 C ASP A 9 1.345 -8.572 20.923 1.00 16.67 C ATOM 203 O ASP A 9 1.318 -9.818 20.917 1.00 16.78 O ATOM 204 CB ASP A 9 3.141 -7.936 19.340 1.00 17.80 C ATOM 205 CG ASP A 9 4.336 -7.030 19.005 1.00 23.04 C ATOM 206 OD1 ASP A 9 4.813 -6.228 19.860 1.00 21.49 O ATOM 207 OD2 ASP A 9 4.918 -7.156 17.899 1.00 24.88 O ATOM 208 HA ASP A 9 2.531 -6.754 21.038 1.00 0.00 H ATOM 209 HB2 ASP A 9 3.432 -8.971 19.162 1.00 0.00 H ATOM 210 HB3 ASP A 9 2.314 -7.674 18.680 1.00 0.00 H ATOM 211 H ASP A 9 4.500 -8.751 21.376 1.00 0.00 H ATOM 212 N PHE A 10 0.276 -7.826 21.117 1.00 16.39 N ATOM 213 CA PHE A 10 -1.066 -8.383 21.024 1.00 16.05 C ATOM 214 C PHE A 10 -1.778 -7.768 19.822 1.00 16.37 C ATOM 215 O PHE A 10 -2.066 -6.560 19.763 1.00 15.45 O ATOM 216 CB PHE A 10 -1.857 -8.105 22.325 1.00 17.42 C ATOM 217 CG PHE A 10 -3.322 -8.449 22.219 1.00 13.81 C ATOM 218 CD1 PHE A 10 -3.739 -9.728 21.839 1.00 16.12 C ATOM 219 CD2 PHE A 10 -4.287 -7.454 22.454 1.00 13.03 C ATOM 220 CE1 PHE A 10 -5.133 -10.042 21.705 1.00 13.34 C ATOM 221 CE2 PHE A 10 -5.627 -7.743 22.377 1.00 13.14 C ATOM 222 CZ PHE A 10 -6.068 -9.017 21.950 1.00 13.43 C ATOM 223 HA PHE A 10 -1.004 -9.463 20.893 1.00 0.00 H ATOM 224 HB2 PHE A 10 -1.420 -8.697 23.129 1.00 0.00 H ATOM 225 HB3 PHE A 10 -1.767 -7.046 22.565 1.00 0.00 H ATOM 226 HD2 PHE A 10 -3.968 -6.441 22.700 1.00 0.00 H ATOM 227 HE2 PHE A 10 -6.359 -6.982 22.648 1.00 0.00 H ATOM 228 HZ PHE A 10 -7.132 -9.206 21.810 1.00 0.00 H ATOM 229 HE1 PHE A 10 -5.458 -11.043 21.422 1.00 0.00 H ATOM 230 HD1 PHE A 10 -2.994 -10.499 21.641 1.00 0.00 H ATOM 231 H PHE A 10 0.391 -6.837 21.337 1.00 0.00 H ATOM 232 N GLU A 11 -2.132 -8.605 18.859 1.00 16.85 N ATOM 233 CA GLU A 11 -2.906 -8.106 17.714 1.00 18.13 C ATOM 234 C GLU A 11 -4.421 -8.158 17.949 1.00 17.82 C ATOM 235 O GLU A 11 -4.993 -9.261 18.102 1.00 18.32 O ATOM 236 CB GLU A 11 -2.511 -8.929 16.473 1.00 19.52 C ATOM 237 CG GLU A 11 -3.222 -8.512 15.190 1.00 24.53 C ATOM 238 CD GLU A 11 -2.488 -7.396 14.448 1.00 25.29 C ATOM 239 OE1 GLU A 11 -1.324 -7.060 14.793 1.00 29.27 O ATOM 240 OE2 GLU A 11 -3.081 -6.873 13.486 1.00 31.35 O ATOM 241 HA GLU A 11 -2.669 -7.052 17.567 1.00 0.00 H ATOM 242 HB2 GLU A 11 -1.437 -8.821 16.319 1.00 0.00 H ATOM 243 HB3 GLU A 11 -2.745 -9.975 16.669 1.00 0.00 H ATOM 244 HG2 GLU A 11 -3.295 -9.379 14.533 1.00 0.00 H ATOM 245 HG3 GLU A 11 -4.223 -8.164 15.443 1.00 0.00 H ATOM 246 H GLU A 11 -1.869 -9.589 18.912 1.00 0.00 H ATOM 247 N ALA A 12 -5.088 -6.993 17.954 1.00 17.25 N ATOM 248 CA ALA A 12 -6.533 -6.959 18.151 1.00 17.95 C ATOM 249 C ALA A 12 -7.183 -7.468 16.889 1.00 18.76 C ATOM 250 O ALA A 12 -6.872 -6.972 15.811 1.00 19.44 O ATOM 251 CB ALA A 12 -7.044 -5.509 18.494 1.00 18.17 C ATOM 252 HA ALA A 12 -6.798 -7.589 19.000 1.00 0.00 H ATOM 253 HB1 ALA A 12 -6.565 -5.164 19.410 1.00 0.00 H ATOM 254 HB2 ALA A 12 -6.794 -4.834 17.675 1.00 0.00 H ATOM 255 HB3 ALA A 12 -8.125 -5.529 18.633 1.00 0.00 H ATOM 256 H ALA A 12 -4.578 -6.120 17.818 1.00 0.00 H ATOM 257 N LEU A 13 -8.097 -8.410 17.033 1.00 18.64 N ATOM 258 CA LEU A 13 -8.765 -9.000 15.863 1.00 21.17 C ATOM 259 C LEU A 13 -10.231 -8.669 15.823 1.00 22.81 C ATOM 260 O LEU A 13 -10.907 -8.900 14.812 1.00 24.19 O ATOM 261 CB LEU A 13 -8.599 -10.501 15.902 1.00 21.43 C ATOM 262 CG LEU A 13 -7.187 -11.043 15.930 1.00 22.63 C ATOM 263 CD1 LEU A 13 -7.313 -12.571 15.995 1.00 26.12 C ATOM 264 CD2 LEU A 13 -6.388 -10.617 14.697 1.00 24.75 C ATOM 265 HA LEU A 13 -8.303 -8.581 14.969 1.00 0.00 H ATOM 266 HB2 LEU A 13 -9.107 -10.864 16.796 1.00 0.00 H ATOM 267 HB3 LEU A 13 -9.089 -10.908 15.017 1.00 0.00 H ATOM 268 HG LEU A 13 -6.645 -10.649 16.790 1.00 0.00 H ATOM 269 HD21 LEU A 13 -6.880 -10.991 13.799 1.00 0.00 H ATOM 270 HD22 LEU A 13 -6.336 -9.529 14.657 1.00 0.00 H ATOM 271 HD23 LEU A 13 -5.380 -11.028 14.759 1.00 0.00 H ATOM 272 HD11 LEU A 13 -7.858 -12.851 16.896 1.00 0.00 H ATOM 273 HD12 LEU A 13 -7.852 -12.928 15.117 1.00 0.00 H ATOM 274 HD13 LEU A 13 -6.318 -13.016 16.017 1.00 0.00 H ATOM 275 H LEU A 13 -8.343 -8.733 17.969 1.00 0.00 H ATOM 276 N GLU A 14 -10.744 -8.143 16.932 1.00 22.88 N ATOM 277 CA GLU A 14 -12.128 -7.760 17.020 1.00 24.01 C ATOM 278 C GLU A 14 -12.195 -6.341 17.485 1.00 23.49 C ATOM 279 O GLU A 14 -11.250 -5.853 18.097 1.00 22.31 O ATOM 280 CB GLU A 14 -12.845 -8.650 18.033 1.00 24.63 C ATOM 281 CG GLU A 14 -12.911 -10.120 17.679 1.00 28.69 C ATOM 282 CD GLU A 14 -13.997 -10.768 18.502 1.00 32.98 C ATOM 283 OE1 GLU A 14 -14.909 -10.025 18.925 1.00 35.28 O ATOM 284 OE2 GLU A 14 -13.915 -11.968 18.787 1.00 33.57 O ATOM 285 HA GLU A 14 -12.605 -7.867 16.046 1.00 0.00 H ATOM 286 HB2 GLU A 14 -12.327 -8.557 18.987 1.00 0.00 H ATOM 287 HB3 GLU A 14 -13.866 -8.284 18.138 1.00 0.00 H ATOM 288 HG2 GLU A 14 -13.138 -10.232 16.619 1.00 0.00 H ATOM 289 HG3 GLU A 14 -11.954 -10.593 17.897 1.00 0.00 H ATOM 290 H GLU A 14 -10.139 -8.007 17.742 1.00 0.00 H ATOM 291 N GLU A 15 -13.342 -5.686 17.251 1.00 23.49 N ATOM 292 CA GLU A 15 -13.546 -4.332 17.679 1.00 23.53 C ATOM 293 C GLU A 15 -13.402 -4.136 19.186 1.00 22.08 C ATOM 294 O GLU A 15 -12.955 -3.102 19.638 1.00 23.36 O ATOM 295 CB GLU A 15 -14.950 -3.826 17.259 1.00 25.57 C ATOM 296 CG GLU A 15 -14.925 -3.018 15.980 1.00 32.73 C ATOM 297 CD GLU A 15 -14.287 -1.643 16.132 1.00 40.09 C ATOM 298 OE1 GLU A 15 -14.216 -1.120 17.279 1.00 45.77 O ATOM 299 OE2 GLU A 15 -13.871 -1.073 15.091 1.00 43.74 O ATOM 300 HA GLU A 15 -12.760 -3.758 17.188 1.00 0.00 H ATOM 301 HB2 GLU A 15 -15.602 -4.688 17.114 1.00 0.00 H ATOM 302 HB3 GLU A 15 -15.348 -3.201 18.058 1.00 0.00 H ATOM 303 HG2 GLU A 15 -14.363 -3.577 15.231 1.00 0.00 H ATOM 304 HG3 GLU A 15 -15.951 -2.885 15.638 1.00 0.00 H ATOM 305 H GLU A 15 -14.092 -6.165 16.753 1.00 0.00 H ATOM 306 N ASP A 16 -13.772 -5.120 19.968 1.00 20.40 N ATOM 307 CA ASP A 16 -13.716 -4.927 21.423 1.00 18.88 C ATOM 308 C ASP A 16 -12.311 -5.216 21.986 1.00 17.52 C ATOM 309 O ASP A 16 -12.116 -5.252 23.197 1.00 17.08 O ATOM 310 CB ASP A 16 -14.820 -5.769 22.123 1.00 20.01 C ATOM 311 CG ASP A 16 -14.658 -7.301 21.914 1.00 23.04 C ATOM 312 OD1 ASP A 16 -13.668 -7.738 21.304 1.00 20.16 O ATOM 313 OD2 ASP A 16 -15.516 -8.147 22.329 1.00 26.04 O ATOM 314 HA ASP A 16 -13.916 -3.877 21.637 1.00 0.00 H ATOM 315 HB2 ASP A 16 -14.787 -5.561 23.192 1.00 0.00 H ATOM 316 HB3 ASP A 16 -15.789 -5.467 21.725 1.00 0.00 H ATOM 317 H ASP A 16 -14.093 -6.004 19.573 1.00 0.00 H ATOM 318 N GLU A 17 -11.338 -5.478 21.122 1.00 16.54 N ATOM 319 CA GLU A 17 -9.997 -5.799 21.631 1.00 15.62 C ATOM 320 C GLU A 17 -9.059 -4.605 21.546 1.00 15.76 C ATOM 321 O GLU A 17 -9.125 -3.810 20.614 1.00 16.51 O ATOM 322 CB GLU A 17 -9.389 -7.010 20.884 1.00 13.84 C ATOM 323 CG GLU A 17 -10.197 -8.296 21.143 1.00 13.41 C ATOM 324 CD GLU A 17 -9.717 -9.509 20.339 1.00 16.95 C ATOM 325 OE1 GLU A 17 -8.677 -9.430 19.632 1.00 17.18 O ATOM 326 OE2 GLU A 17 -10.412 -10.570 20.428 1.00 16.71 O ATOM 327 HA GLU A 17 -10.113 -6.061 22.683 1.00 0.00 H ATOM 328 HB2 GLU A 17 -9.387 -6.802 19.814 1.00 0.00 H ATOM 329 HB3 GLU A 17 -8.365 -7.160 21.226 1.00 0.00 H ATOM 330 HG2 GLU A 17 -10.126 -8.538 22.203 1.00 0.00 H ATOM 331 HG3 GLU A 17 -11.238 -8.104 20.885 1.00 0.00 H ATOM 332 H GLU A 17 -11.518 -5.457 20.118 1.00 0.00 H ATOM 333 N LEU A 18 -8.169 -4.516 22.525 1.00 15.85 N ATOM 334 CA LEU A 18 -7.208 -3.411 22.579 1.00 14.85 C ATOM 335 C LEU A 18 -5.838 -3.905 22.232 1.00 15.86 C ATOM 336 O LEU A 18 -5.167 -4.506 23.093 1.00 16.23 O ATOM 337 CB LEU A 18 -7.179 -2.831 23.990 1.00 14.37 C ATOM 338 CG LEU A 18 -6.431 -1.504 24.131 1.00 13.77 C ATOM 339 CD1 LEU A 18 -7.308 -0.285 23.674 1.00 12.46 C ATOM 340 CD2 LEU A 18 -6.192 -1.398 25.600 1.00 11.87 C ATOM 341 HA LEU A 18 -7.511 -2.645 21.865 1.00 0.00 H ATOM 342 HB2 LEU A 18 -8.208 -2.675 24.312 1.00 0.00 H ATOM 343 HB3 LEU A 18 -6.701 -3.559 24.645 1.00 0.00 H ATOM 344 HG LEU A 18 -5.529 -1.484 23.520 1.00 0.00 H ATOM 345 HD21 LEU A 18 -7.148 -1.395 26.123 1.00 0.00 H ATOM 346 HD22 LEU A 18 -5.597 -2.249 25.932 1.00 0.00 H ATOM 347 HD23 LEU A 18 -5.656 -0.473 25.814 1.00 0.00 H ATOM 348 HD11 LEU A 18 -7.586 -0.411 22.628 1.00 0.00 H ATOM 349 HD12 LEU A 18 -8.208 -0.237 24.287 1.00 0.00 H ATOM 350 HD13 LEU A 18 -6.737 0.636 23.791 1.00 0.00 H ATOM 351 H LEU A 18 -8.153 -5.230 23.254 1.00 0.00 H ATOM 352 N GLY A 19 -5.415 -3.676 20.985 1.00 15.34 N ATOM 353 CA GLY A 19 -4.140 -4.213 20.511 1.00 15.31 C ATOM 354 C GLY A 19 -2.982 -3.284 20.899 1.00 15.11 C ATOM 355 O GLY A 19 -3.175 -2.074 21.145 1.00 14.73 O ATOM 356 HA3 GLY A 19 -4.173 -4.310 19.426 1.00 0.00 H ATOM 357 HA2 GLY A 19 -3.977 -5.194 20.957 1.00 0.00 H ATOM 358 H GLY A 19 -5.990 -3.118 20.354 1.00 0.00 H ATOM 359 N PHE A 20 -1.789 -3.861 20.970 1.00 15.80 N ATOM 360 CA PHE A 20 -0.583 -3.122 21.393 1.00 15.99 C ATOM 361 C PHE A 20 0.684 -3.853 20.999 1.00 17.27 C ATOM 362 O PHE A 20 0.691 -5.064 20.830 1.00 18.39 O ATOM 363 CB PHE A 20 -0.548 -2.813 22.903 1.00 15.45 C ATOM 364 CG PHE A 20 -0.900 -3.988 23.812 1.00 15.49 C ATOM 365 CD1 PHE A 20 0.008 -5.061 24.007 1.00 17.49 C ATOM 366 CD2 PHE A 20 -2.105 -4.002 24.494 1.00 14.85 C ATOM 367 CE1 PHE A 20 -0.301 -6.133 24.858 1.00 15.38 C ATOM 368 CE2 PHE A 20 -2.434 -5.077 25.372 1.00 15.04 C ATOM 369 CZ PHE A 20 -1.517 -6.167 25.515 1.00 15.28 C ATOM 370 HA PHE A 20 -0.634 -2.169 20.866 1.00 0.00 H ATOM 371 HB2 PHE A 20 0.458 -2.479 23.157 1.00 0.00 H ATOM 372 HB3 PHE A 20 -1.257 -2.009 23.100 1.00 0.00 H ATOM 373 HD2 PHE A 20 -2.810 -3.182 24.358 1.00 0.00 H ATOM 374 HE2 PHE A 20 -3.372 -5.069 25.927 1.00 0.00 H ATOM 375 HZ PHE A 20 -1.777 -7.021 26.140 1.00 0.00 H ATOM 376 HE1 PHE A 20 0.418 -6.939 25.001 1.00 0.00 H ATOM 377 HD1 PHE A 20 0.965 -5.052 23.485 1.00 0.00 H ATOM 378 H PHE A 20 -1.702 -4.847 20.724 1.00 0.00 H ATOM 379 N ARG A 21 1.747 -3.080 20.853 1.00 18.14 N ATOM 380 CA ARG A 21 3.099 -3.603 20.711 1.00 19.20 C ATOM 381 C ARG A 21 3.727 -3.754 22.085 1.00 19.02 C ATOM 382 O ARG A 21 3.360 -3.044 23.025 1.00 19.47 O ATOM 383 CB ARG A 21 3.915 -2.640 19.840 1.00 20.22 C ATOM 384 CG ARG A 21 3.440 -2.648 18.359 1.00 24.58 C ATOM 385 CD ARG A 21 4.515 -2.287 17.348 1.00 37.07 C ATOM 386 NE ARG A 21 5.189 -3.468 16.791 1.00 43.89 N ATOM 387 CZ ARG A 21 5.195 -3.789 15.492 1.00 47.52 C ATOM 388 NH1 ARG A 21 4.570 -3.009 14.615 1.00 48.15 N ATOM 389 NH2 ARG A 21 5.829 -4.888 15.066 1.00 49.49 N ATOM 390 HA ARG A 21 3.080 -4.582 20.232 1.00 0.00 H ATOM 391 HB2 ARG A 21 3.810 -1.631 20.238 1.00 0.00 H ATOM 392 HB3 ARG A 21 4.963 -2.936 19.875 1.00 0.00 H ATOM 393 HG2 ARG A 21 3.074 -3.648 18.124 1.00 0.00 H ATOM 394 HG3 ARG A 21 2.625 -1.931 18.259 1.00 0.00 H ATOM 395 HD2 ARG A 21 5.259 -1.660 17.839 1.00 0.00 H ATOM 396 HD3 ARG A 21 4.054 -1.731 16.532 1.00 0.00 H ATOM 397 HE ARG A 21 5.684 -4.083 17.436 1.00 0.00 H ATOM 398 HH12 ARG A 21 4.573 -3.251 13.624 1.00 0.00 H ATOM 399 HH11 ARG A 21 4.088 -2.168 14.933 1.00 0.00 H ATOM 400 HH22 ARG A 21 5.828 -5.125 14.074 1.00 0.00 H ATOM 401 HH21 ARG A 21 6.313 -5.489 15.733 1.00 0.00 H ATOM 402 H ARG A 21 1.614 -2.069 20.839 1.00 0.00 H ATOM 403 N SER A 22 4.676 -4.687 22.226 1.00 19.25 N ATOM 404 CA SER A 22 5.374 -4.849 23.506 1.00 20.01 C ATOM 405 C SER A 22 6.007 -3.531 23.947 1.00 19.67 C ATOM 406 O SER A 22 6.500 -2.764 23.095 1.00 20.30 O ATOM 407 CB SER A 22 6.485 -5.943 23.426 1.00 20.99 C ATOM 408 OG SER A 22 7.306 -5.721 22.286 1.00 28.14 O ATOM 409 HA SER A 22 4.627 -5.162 24.235 1.00 0.00 H ATOM 410 HB2 SER A 22 6.019 -6.926 23.350 1.00 0.00 H ATOM 411 HB3 SER A 22 7.098 -5.902 24.326 1.00 0.00 H ATOM 412 HG SER A 22 7.985 -6.398 22.246 1.00 0.00 H ATOM 413 H SER A 22 4.915 -5.289 21.438 1.00 0.00 H ATOM 414 N GLY A 23 6.014 -3.267 25.265 1.00 19.55 N ATOM 415 CA GLY A 23 6.628 -2.029 25.776 1.00 19.34 C ATOM 416 C GLY A 23 5.654 -0.851 25.970 1.00 19.51 C ATOM 417 O GLY A 23 5.972 0.129 26.665 1.00 18.82 O ATOM 418 HA3 GLY A 23 7.399 -1.718 25.071 1.00 0.00 H ATOM 419 HA2 GLY A 23 7.086 -2.251 26.740 1.00 0.00 H ATOM 420 H GLY A 23 5.591 -3.929 25.916 1.00 0.00 H ATOM 421 N GLU A 24 4.442 -0.982 25.423 1.00 18.69 N ATOM 422 CA GLU A 24 3.392 -0.002 25.642 1.00 19.27 C ATOM 423 C GLU A 24 2.987 0.025 27.112 1.00 18.83 C ATOM 424 O GLU A 24 2.890 -1.030 27.784 1.00 18.23 O ATOM 425 CB GLU A 24 2.186 -0.412 24.769 1.00 19.77 C ATOM 426 CG GLU A 24 1.231 0.624 24.208 1.00 22.68 C ATOM 427 CD GLU A 24 1.833 1.741 23.354 1.00 19.29 C ATOM 428 OE1 GLU A 24 1.944 1.590 22.079 1.00 18.53 O ATOM 429 OE2 GLU A 24 2.090 2.809 23.978 1.00 17.06 O ATOM 430 HA GLU A 24 3.742 0.995 25.374 1.00 0.00 H ATOM 431 HB2 GLU A 24 2.593 -0.952 23.914 1.00 0.00 H ATOM 432 HB3 GLU A 24 1.584 -1.091 25.373 1.00 0.00 H ATOM 433 HG2 GLU A 24 0.501 0.098 23.593 1.00 0.00 H ATOM 434 HG3 GLU A 24 0.724 1.093 25.051 1.00 0.00 H ATOM 435 H GLU A 24 4.248 -1.793 24.835 1.00 0.00 H ATOM 436 N VAL A 25 2.694 1.225 27.613 1.00 18.25 N ATOM 437 CA VAL A 25 2.077 1.363 28.943 1.00 18.89 C ATOM 438 C VAL A 25 0.533 1.500 28.843 1.00 19.16 C ATOM 439 O VAL A 25 0.009 2.459 28.247 1.00 18.05 O ATOM 440 CB VAL A 25 2.744 2.518 29.728 1.00 18.61 C ATOM 441 CG1 VAL A 25 2.081 2.775 31.125 1.00 19.91 C ATOM 442 CG2 VAL A 25 4.231 2.209 29.895 1.00 20.52 C ATOM 443 HA VAL A 25 2.255 0.450 29.511 1.00 0.00 H ATOM 444 HB VAL A 25 2.605 3.433 29.153 1.00 0.00 H ATOM 445 HG11 VAL A 25 1.031 3.033 30.986 1.00 0.00 H ATOM 446 HG12 VAL A 25 2.158 1.874 31.733 1.00 0.00 H ATOM 447 HG13 VAL A 25 2.595 3.597 31.624 1.00 0.00 H ATOM 448 HG21 VAL A 25 4.347 1.274 30.444 1.00 0.00 H ATOM 449 HG22 VAL A 25 4.694 2.115 28.913 1.00 0.00 H ATOM 450 HG23 VAL A 25 4.709 3.018 30.447 1.00 0.00 H ATOM 451 H VAL A 25 2.900 2.061 27.066 1.00 0.00 H ATOM 452 N VAL A 26 -0.174 0.516 29.411 1.00 18.41 N ATOM 453 CA VAL A 26 -1.623 0.407 29.323 1.00 19.17 C ATOM 454 C VAL A 26 -2.238 0.866 30.630 1.00 19.25 C ATOM 455 O VAL A 26 -1.815 0.436 31.717 1.00 18.47 O ATOM 456 CB VAL A 26 -1.995 -1.095 29.103 1.00 18.95 C ATOM 457 CG1 VAL A 26 -3.497 -1.362 29.186 1.00 20.94 C ATOM 458 CG2 VAL A 26 -1.414 -1.569 27.777 1.00 20.72 C ATOM 459 HA VAL A 26 -1.993 1.020 28.501 1.00 0.00 H ATOM 460 HB VAL A 26 -1.556 -1.669 29.919 1.00 0.00 H ATOM 461 HG11 VAL A 26 -3.862 -1.073 30.171 1.00 0.00 H ATOM 462 HG12 VAL A 26 -4.011 -0.780 28.421 1.00 0.00 H ATOM 463 HG13 VAL A 26 -3.686 -2.423 29.024 1.00 0.00 H ATOM 464 HG21 VAL A 26 -1.825 -0.968 26.966 1.00 0.00 H ATOM 465 HG22 VAL A 26 -0.330 -1.460 27.797 1.00 0.00 H ATOM 466 HG23 VAL A 26 -1.673 -2.616 27.622 1.00 0.00 H ATOM 467 H VAL A 26 0.331 -0.198 29.935 1.00 0.00 H ATOM 468 N GLU A 27 -3.282 1.684 30.545 1.00 19.32 N ATOM 469 CA GLU A 27 -4.034 2.012 31.746 1.00 20.36 C ATOM 470 C GLU A 27 -5.077 0.903 31.938 1.00 20.22 C ATOM 471 O GLU A 27 -5.849 0.611 31.041 1.00 20.01 O ATOM 472 CB GLU A 27 -4.746 3.352 31.584 1.00 21.97 C ATOM 473 CG GLU A 27 -5.515 3.791 32.839 1.00 22.54 C ATOM 474 CD GLU A 27 -6.124 5.181 32.704 1.00 26.79 C ATOM 475 OE1 GLU A 27 -6.084 5.770 31.605 1.00 24.38 O ATOM 476 OE2 GLU A 27 -6.646 5.705 33.714 1.00 30.56 O ATOM 477 HA GLU A 27 -3.365 2.087 32.603 1.00 0.00 H ATOM 478 HB2 GLU A 27 -4.001 4.113 31.351 1.00 0.00 H ATOM 479 HB3 GLU A 27 -5.452 3.271 30.757 1.00 0.00 H ATOM 480 HG2 GLU A 27 -6.317 3.076 33.024 1.00 0.00 H ATOM 481 HG3 GLU A 27 -4.828 3.792 33.686 1.00 0.00 H ATOM 482 H GLU A 27 -3.554 2.079 29.645 1.00 0.00 H ATOM 483 N VAL A 28 -5.094 0.286 33.107 1.00 21.25 N ATOM 484 CA VAL A 28 -5.968 -0.865 33.285 1.00 21.77 C ATOM 485 C VAL A 28 -7.225 -0.412 33.976 1.00 22.69 C ATOM 486 O VAL A 28 -7.161 0.093 35.099 1.00 23.86 O ATOM 487 CB VAL A 28 -5.248 -2.056 33.988 1.00 20.79 C ATOM 488 CG1 VAL A 28 -6.203 -3.280 34.074 1.00 19.75 C ATOM 489 CG2 VAL A 28 -3.980 -2.394 33.233 1.00 21.01 C ATOM 490 HA VAL A 28 -6.247 -1.270 32.312 1.00 0.00 H ATOM 491 HB VAL A 28 -4.977 -1.775 35.006 1.00 0.00 H ATOM 492 HG11 VAL A 28 -7.090 -3.008 34.647 1.00 0.00 H ATOM 493 HG12 VAL A 28 -6.497 -3.581 33.069 1.00 0.00 H ATOM 494 HG13 VAL A 28 -5.690 -4.106 34.567 1.00 0.00 H ATOM 495 HG21 VAL A 28 -4.231 -2.673 32.210 1.00 0.00 H ATOM 496 HG22 VAL A 28 -3.322 -1.525 33.223 1.00 0.00 H ATOM 497 HG23 VAL A 28 -3.477 -3.227 33.725 1.00 0.00 H ATOM 498 H VAL A 28 -4.504 0.611 33.873 1.00 0.00 H ATOM 499 N LEU A 29 -8.358 -0.535 33.294 1.00 23.17 N ATOM 500 CA LEU A 29 -9.628 -0.060 33.867 1.00 24.39 C ATOM 501 C LEU A 29 -10.292 -1.117 34.724 1.00 24.95 C ATOM 502 O LEU A 29 -10.948 -0.783 35.720 1.00 25.73 O ATOM 503 CB LEU A 29 -10.612 0.384 32.791 1.00 24.66 C ATOM 504 CG LEU A 29 -10.157 1.483 31.809 1.00 26.00 C ATOM 505 CD1 LEU A 29 -11.364 1.967 31.032 1.00 27.57 C ATOM 506 CD2 LEU A 29 -9.503 2.621 32.513 1.00 28.29 C ATOM 507 HA LEU A 29 -9.368 0.797 34.489 1.00 0.00 H ATOM 508 HB2 LEU A 29 -10.866 -0.496 32.200 1.00 0.00 H ATOM 509 HB3 LEU A 29 -11.505 0.750 33.298 1.00 0.00 H ATOM 510 HG LEU A 29 -9.415 1.061 31.131 1.00 0.00 H ATOM 511 HD21 LEU A 29 -10.207 3.063 33.218 1.00 0.00 H ATOM 512 HD22 LEU A 29 -8.627 2.259 33.051 1.00 0.00 H ATOM 513 HD23 LEU A 29 -9.199 3.371 31.783 1.00 0.00 H ATOM 514 HD11 LEU A 29 -11.798 1.133 30.481 1.00 0.00 H ATOM 515 HD12 LEU A 29 -12.103 2.370 31.725 1.00 0.00 H ATOM 516 HD13 LEU A 29 -11.057 2.745 30.333 1.00 0.00 H ATOM 517 H LEU A 29 -8.348 -0.961 32.367 1.00 0.00 H ATOM 518 N ASP A 30 -10.126 -2.380 34.329 1.00 23.68 N ATOM 519 CA ASP A 30 -10.712 -3.514 35.067 1.00 24.19 C ATOM 520 C ASP A 30 -9.741 -4.680 35.047 1.00 24.40 C ATOM 521 O ASP A 30 -9.409 -5.167 33.974 1.00 25.11 O ATOM 522 CB ASP A 30 -12.067 -3.919 34.449 1.00 23.99 C ATOM 523 CG ASP A 30 -12.876 -4.850 35.361 1.00 25.68 C ATOM 524 OD1 ASP A 30 -12.323 -5.336 36.370 1.00 26.54 O ATOM 525 OD2 ASP A 30 -14.052 -5.161 35.134 1.00 29.43 O ATOM 526 HA ASP A 30 -10.892 -3.218 36.100 1.00 0.00 H ATOM 527 HB2 ASP A 30 -12.650 -3.017 34.264 1.00 0.00 H ATOM 528 HB3 ASP A 30 -11.881 -4.430 33.504 1.00 0.00 H ATOM 529 H ASP A 30 -9.577 -2.567 33.490 1.00 0.00 H ATOM 530 N SER A 31 -9.250 -5.090 36.215 1.00 24.11 N ATOM 531 CA SER A 31 -8.390 -6.255 36.323 1.00 24.65 C ATOM 532 C SER A 31 -9.004 -7.401 37.150 1.00 24.66 C ATOM 533 O SER A 31 -8.270 -8.241 37.653 1.00 26.20 O ATOM 534 CB SER A 31 -7.020 -5.875 36.898 1.00 25.03 C ATOM 535 OG SER A 31 -7.126 -5.118 38.114 1.00 26.33 O ATOM 536 HA SER A 31 -8.272 -6.627 35.305 1.00 0.00 H ATOM 537 HB2 SER A 31 -6.484 -5.279 36.160 1.00 0.00 H ATOM 538 HB3 SER A 31 -6.460 -6.788 37.102 1.00 0.00 H ATOM 539 HG SER A 31 -6.247 -4.904 38.434 1.00 0.00 H ATOM 540 H SER A 31 -9.485 -4.569 37.060 1.00 0.00 H ATOM 541 N SER A 32 -10.320 -7.450 37.239 1.00 25.05 N ATOM 542 CA SER A 32 -10.972 -8.430 38.123 1.00 25.35 C ATOM 543 C SER A 32 -11.088 -9.781 37.437 1.00 24.84 C ATOM 544 O SER A 32 -11.013 -10.831 38.111 1.00 24.56 O ATOM 545 CB SER A 32 -12.330 -7.924 38.619 1.00 24.55 C ATOM 546 OG SER A 32 -13.198 -7.579 37.560 1.00 25.88 O ATOM 547 HA SER A 32 -10.343 -8.559 39.004 1.00 0.00 H ATOM 548 HB2 SER A 32 -12.169 -7.043 39.241 1.00 0.00 H ATOM 549 HB3 SER A 32 -12.799 -8.707 39.215 1.00 0.00 H ATOM 550 HG SER A 32 -12.797 -6.884 37.033 1.00 0.00 H ATOM 551 H SER A 32 -10.889 -6.804 36.692 1.00 0.00 H ATOM 552 N ASN A 33 -11.212 -9.747 36.107 1.00 22.28 N ATOM 553 CA ASN A 33 -11.279 -10.969 35.319 1.00 21.69 C ATOM 554 C ASN A 33 -9.883 -11.593 35.203 1.00 20.88 C ATOM 555 O ASN A 33 -8.934 -10.891 34.834 1.00 21.38 O ATOM 556 CB ASN A 33 -11.835 -10.626 33.933 1.00 19.76 C ATOM 557 CG ASN A 33 -12.147 -11.863 33.134 1.00 21.46 C ATOM 558 OD1 ASN A 33 -11.243 -12.532 32.626 1.00 18.33 O ATOM 559 ND2 ASN A 33 -13.431 -12.185 33.022 1.00 21.06 N ATOM 560 HA ASN A 33 -11.934 -11.693 35.803 1.00 0.00 H ATOM 561 HB2 ASN A 33 -12.748 -10.044 34.053 1.00 0.00 H ATOM 562 HB3 ASN A 33 -11.096 -10.034 33.393 1.00 0.00 H ATOM 563 HD22 ASN A 33 -14.143 -11.601 33.460 1.00 0.00 H ATOM 564 HD21 ASN A 33 -13.704 -13.016 32.498 1.00 0.00 H ATOM 565 H ASN A 33 -11.261 -8.845 35.634 1.00 0.00 H ATOM 566 N PRO A 34 -9.735 -12.899 35.437 1.00 19.91 N ATOM 567 CA PRO A 34 -8.412 -13.519 35.449 1.00 20.23 C ATOM 568 C PRO A 34 -7.816 -13.705 34.044 1.00 20.63 C ATOM 569 O PRO A 34 -6.619 -13.870 33.937 1.00 21.07 O ATOM 570 CB PRO A 34 -8.682 -14.914 36.024 1.00 19.96 C ATOM 571 CG PRO A 34 -10.077 -15.191 35.741 1.00 19.24 C ATOM 572 CD PRO A 34 -10.804 -13.877 35.697 1.00 19.25 C ATOM 573 HA PRO A 34 -7.706 -12.902 36.005 1.00 0.00 H ATOM 574 HD3 PRO A 34 -11.544 -13.868 34.896 1.00 0.00 H ATOM 575 HD2 PRO A 34 -11.297 -13.672 36.648 1.00 0.00 H ATOM 576 HG3 PRO A 34 -10.497 -15.822 36.524 1.00 0.00 H ATOM 577 HG2 PRO A 34 -10.168 -15.698 34.780 1.00 0.00 H ATOM 578 HB2 PRO A 34 -8.042 -15.654 35.543 1.00 0.00 H ATOM 579 HB3 PRO A 34 -8.503 -14.924 37.099 1.00 0.00 H ATOM 580 N SER A 35 -8.666 -13.691 33.028 1.00 19.20 N ATOM 581 CA SER A 35 -8.281 -14.049 31.656 1.00 18.57 C ATOM 582 C SER A 35 -8.027 -12.841 30.763 1.00 18.16 C ATOM 583 O SER A 35 -6.994 -12.775 30.080 1.00 17.63 O ATOM 584 CB SER A 35 -9.417 -14.890 31.058 1.00 17.04 C ATOM 585 OG SER A 35 -9.576 -16.054 31.876 1.00 18.20 O ATOM 586 HA SER A 35 -7.341 -14.599 31.703 1.00 0.00 H ATOM 587 HB2 SER A 35 -9.165 -15.184 30.039 1.00 0.00 H ATOM 588 HB3 SER A 35 -10.342 -14.313 31.050 1.00 0.00 H ATOM 589 HG SER A 35 -8.757 -16.555 31.881 1.00 0.00 H ATOM 590 H SER A 35 -9.633 -13.419 33.206 1.00 0.00 H ATOM 591 N TRP A 36 -8.988 -11.906 30.774 1.00 16.81 N ATOM 592 CA TRP A 36 -8.960 -10.721 29.932 1.00 17.51 C ATOM 593 C TRP A 36 -9.287 -9.476 30.740 1.00 16.83 C ATOM 594 O TRP A 36 -10.322 -9.402 31.378 1.00 16.60 O ATOM 595 CB TRP A 36 -10.000 -10.848 28.821 1.00 17.36 C ATOM 596 CG TRP A 36 -9.683 -11.905 27.763 1.00 18.58 C ATOM 597 CD1 TRP A 36 -9.875 -13.274 27.870 1.00 18.12 C ATOM 598 CD2 TRP A 36 -9.178 -11.673 26.441 1.00 15.42 C ATOM 599 NE1 TRP A 36 -9.510 -13.896 26.694 1.00 16.55 N ATOM 600 CE2 TRP A 36 -9.069 -12.943 25.801 1.00 15.30 C ATOM 601 CE3 TRP A 36 -8.796 -10.516 25.720 1.00 14.20 C ATOM 602 CZ2 TRP A 36 -8.611 -13.085 24.474 1.00 15.66 C ATOM 603 CZ3 TRP A 36 -8.329 -10.661 24.357 1.00 15.33 C ATOM 604 CH2 TRP A 36 -8.251 -11.929 23.768 1.00 12.97 C ATOM 605 HA TRP A 36 -7.958 -10.635 29.512 1.00 0.00 H ATOM 606 HB2 TRP A 36 -10.956 -11.102 29.279 1.00 0.00 H ATOM 607 HB3 TRP A 36 -10.083 -9.883 28.322 1.00 0.00 H ATOM 608 HE1 TRP A 36 -9.559 -14.899 26.514 1.00 0.00 H ATOM 609 HD1 TRP A 36 -10.258 -13.784 28.754 1.00 0.00 H ATOM 610 HZ2 TRP A 36 -8.539 -14.069 24.010 1.00 0.00 H ATOM 611 HH2 TRP A 36 -7.903 -12.019 22.739 1.00 0.00 H ATOM 612 HZ3 TRP A 36 -8.037 -9.779 23.787 1.00 0.00 H ATOM 613 HE3 TRP A 36 -8.853 -9.531 26.184 1.00 0.00 H ATOM 614 H TRP A 36 -9.779 -12.033 31.405 1.00 0.00 H ATOM 615 N TRP A 37 -8.390 -8.493 30.680 1.00 16.10 N ATOM 616 CA TRP A 37 -8.554 -7.218 31.355 1.00 17.25 C ATOM 617 C TRP A 37 -9.048 -6.174 30.412 1.00 16.67 C ATOM 618 O TRP A 37 -8.907 -6.305 29.198 1.00 16.14 O ATOM 619 CB TRP A 37 -7.210 -6.756 31.874 1.00 17.00 C ATOM 620 CG TRP A 37 -6.775 -7.572 33.047 1.00 16.66 C ATOM 621 CD1 TRP A 37 -7.481 -8.580 33.683 1.00 17.33 C ATOM 622 CD2 TRP A 37 -5.547 -7.453 33.742 1.00 15.54 C ATOM 623 NE1 TRP A 37 -6.728 -9.099 34.708 1.00 17.08 N ATOM 624 CE2 TRP A 37 -5.540 -8.416 34.759 1.00 18.10 C ATOM 625 CE3 TRP A 37 -4.410 -6.637 33.577 1.00 18.84 C ATOM 626 CZ2 TRP A 37 -4.458 -8.565 35.637 1.00 21.30 C ATOM 627 CZ3 TRP A 37 -3.345 -6.778 34.462 1.00 22.12 C ATOM 628 CH2 TRP A 37 -3.379 -7.735 35.464 1.00 19.00 C ATOM 629 HA TRP A 37 -9.272 -7.355 32.164 1.00 0.00 H ATOM 630 HB2 TRP A 37 -6.470 -6.852 31.080 1.00 0.00 H ATOM 631 HB3 TRP A 37 -7.285 -5.711 32.175 1.00 0.00 H ATOM 632 HE1 TRP A 37 -7.005 -9.862 35.326 1.00 0.00 H ATOM 633 HD1 TRP A 37 -8.483 -8.911 33.411 1.00 0.00 H ATOM 634 HZ2 TRP A 37 -4.473 -9.314 36.429 1.00 0.00 H ATOM 635 HH2 TRP A 37 -2.524 -7.831 36.134 1.00 0.00 H ATOM 636 HZ3 TRP A 37 -2.475 -6.129 34.366 1.00 0.00 H ATOM 637 HE3 TRP A 37 -4.365 -5.907 32.769 1.00 0.00 H ATOM 638 H TRP A 37 -7.544 -8.644 30.131 1.00 0.00 H ATOM 639 N THR A 38 -9.580 -5.109 30.980 1.00 16.64 N ATOM 640 CA THR A 38 -10.075 -3.992 30.221 1.00 17.17 C ATOM 641 C THR A 38 -9.102 -2.836 30.370 1.00 17.72 C ATOM 642 O THR A 38 -8.684 -2.517 31.477 1.00 18.03 O ATOM 643 CB THR A 38 -11.460 -3.617 30.774 1.00 17.35 C ATOM 644 OG1 THR A 38 -12.379 -4.664 30.433 1.00 20.90 O ATOM 645 CG2 THR A 38 -12.002 -2.454 30.005 1.00 17.34 C ATOM 646 HA THR A 38 -10.166 -4.238 29.163 1.00 0.00 H ATOM 647 HB THR A 38 -11.362 -3.428 31.843 1.00 0.00 H ATOM 648 HG1 THR A 38 -12.081 -5.489 30.822 1.00 0.00 H ATOM 649 HG23 THR A 38 -11.378 -1.579 30.184 1.00 0.00 H ATOM 650 HG21 THR A 38 -12.001 -2.691 28.941 1.00 0.00 H ATOM 651 HG22 THR A 38 -13.021 -2.248 30.331 1.00 0.00 H ATOM 652 H THR A 38 -9.643 -5.076 31.998 1.00 0.00 H ATOM 653 N GLY A 39 -8.742 -2.213 29.268 1.00 17.07 N ATOM 654 CA GLY A 39 -7.708 -1.198 29.317 1.00 16.66 C ATOM 655 C GLY A 39 -7.982 -0.005 28.453 1.00 17.58 C ATOM 656 O GLY A 39 -8.900 -0.060 27.631 1.00 16.58 O ATOM 657 HA3 GLY A 39 -6.770 -1.648 28.992 1.00 0.00 H ATOM 658 HA2 GLY A 39 -7.609 -0.859 30.348 1.00 0.00 H ATOM 659 H GLY A 39 -9.190 -2.444 28.381 1.00 0.00 H ATOM 660 N ARG A 40 -7.197 1.056 28.657 1.00 16.01 N ATOM 661 CA ARG A 40 -7.289 2.248 27.827 1.00 16.80 C ATOM 662 C ARG A 40 -5.877 2.533 27.280 1.00 16.31 C ATOM 663 O ARG A 40 -4.902 2.535 28.031 1.00 17.30 O ATOM 664 CB ARG A 40 -7.873 3.435 28.642 1.00 17.29 C ATOM 665 CG ARG A 40 -7.615 4.820 28.052 1.00 18.76 C ATOM 666 CD ARG A 40 -8.259 5.948 28.871 1.00 23.95 C ATOM 667 NE ARG A 40 -7.886 7.244 28.328 1.00 26.88 N ATOM 668 CZ ARG A 40 -8.296 8.413 28.801 1.00 30.12 C ATOM 669 NH1 ARG A 40 -9.087 8.462 29.870 1.00 28.76 N ATOM 670 NH2 ARG A 40 -7.883 9.537 28.207 1.00 29.88 N ATOM 671 HA ARG A 40 -7.972 2.101 26.990 1.00 0.00 H ATOM 672 HB2 ARG A 40 -8.952 3.295 28.716 1.00 0.00 H ATOM 673 HB3 ARG A 40 -7.435 3.407 29.640 1.00 0.00 H ATOM 674 HG2 ARG A 40 -6.539 4.988 28.015 1.00 0.00 H ATOM 675 HG3 ARG A 40 -8.021 4.849 27.041 1.00 0.00 H ATOM 676 HD2 ARG A 40 -7.920 5.880 29.905 1.00 0.00 H ATOM 677 HD3 ARG A 40 -9.343 5.843 28.838 1.00 0.00 H ATOM 678 HE ARG A 40 -7.261 7.255 27.522 1.00 0.00 H ATOM 679 HH12 ARG A 40 -9.401 9.363 30.231 1.00 0.00 H ATOM 680 HH11 ARG A 40 -9.380 7.599 30.328 1.00 0.00 H ATOM 681 HH22 ARG A 40 -8.190 10.443 28.560 1.00 0.00 H ATOM 682 HH21 ARG A 40 -7.260 9.489 27.401 1.00 0.00 H ATOM 683 H ARG A 40 -6.515 1.030 29.415 1.00 0.00 H ATOM 684 N LEU A 41 -5.776 2.736 25.971 1.00 15.24 N ATOM 685 CA LEU A 41 -4.514 2.977 25.319 1.00 15.16 C ATOM 686 C LEU A 41 -4.788 3.873 24.161 1.00 15.63 C ATOM 687 O LEU A 41 -5.670 3.580 23.372 1.00 15.66 O ATOM 688 CB LEU A 41 -3.936 1.646 24.776 1.00 16.13 C ATOM 689 CG LEU A 41 -2.554 1.752 24.165 1.00 15.81 C ATOM 690 CD1 LEU A 41 -1.488 2.263 25.124 1.00 16.86 C ATOM 691 CD2 LEU A 41 -2.167 0.331 23.677 1.00 19.52 C ATOM 692 HA LEU A 41 -3.803 3.417 26.018 1.00 0.00 H ATOM 693 HB2 LEU A 41 -3.888 0.936 25.602 1.00 0.00 H ATOM 694 HB3 LEU A 41 -4.616 1.268 24.012 1.00 0.00 H ATOM 695 HG LEU A 41 -2.596 2.483 23.357 1.00 0.00 H ATOM 696 HD21 LEU A 41 -2.164 -0.354 24.524 1.00 0.00 H ATOM 697 HD22 LEU A 41 -2.892 -0.008 22.937 1.00 0.00 H ATOM 698 HD23 LEU A 41 -1.174 0.360 23.228 1.00 0.00 H ATOM 699 HD11 LEU A 41 -1.762 3.258 25.473 1.00 0.00 H ATOM 700 HD12 LEU A 41 -1.412 1.586 25.975 1.00 0.00 H ATOM 701 HD13 LEU A 41 -0.529 2.309 24.608 1.00 0.00 H ATOM 702 H LEU A 41 -6.625 2.721 25.406 1.00 0.00 H ATOM 703 N HIS A 42 -4.025 4.945 24.043 1.00 15.53 N ATOM 704 CA HIS A 42 -4.204 5.938 22.991 1.00 15.18 C ATOM 705 C HIS A 42 -5.686 6.413 22.922 1.00 15.49 C ATOM 706 O HIS A 42 -6.214 6.574 21.849 1.00 16.48 O ATOM 707 CB HIS A 42 -3.813 5.368 21.628 1.00 15.65 C ATOM 708 CG HIS A 42 -2.490 4.670 21.602 1.00 16.00 C ATOM 709 ND1 HIS A 42 -2.317 3.448 20.982 1.00 18.23 N ATOM 710 CD2 HIS A 42 -1.274 5.026 22.080 1.00 14.43 C ATOM 711 CE1 HIS A 42 -1.049 3.082 21.074 1.00 18.72 C ATOM 712 NE2 HIS A 42 -0.402 4.013 21.749 1.00 18.36 N ATOM 713 HA HIS A 42 -3.559 6.782 23.233 1.00 0.00 H ATOM 714 HB2 HIS A 42 -4.580 4.655 21.324 1.00 0.00 H ATOM 715 HB3 HIS A 42 -3.779 6.190 20.913 1.00 0.00 H ATOM 716 HD2 HIS A 42 -1.032 5.940 22.623 1.00 0.00 H ATOM 717 HE1 HIS A 42 -0.615 2.170 20.664 1.00 0.00 H ATOM 718 H HIS A 42 -3.275 5.084 24.720 1.00 0.00 H ATOM 719 N ASN A 43 -6.314 6.636 24.077 1.00 17.07 N ATOM 720 CA ASN A 43 -7.751 7.018 24.189 1.00 17.68 C ATOM 721 C ASN A 43 -8.734 6.043 23.566 1.00 17.77 C ATOM 722 O ASN A 43 -9.835 6.470 23.154 1.00 17.93 O ATOM 723 CB ASN A 43 -8.021 8.384 23.570 1.00 19.26 C ATOM 724 CG ASN A 43 -7.242 9.473 24.245 1.00 21.45 C ATOM 725 OD1 ASN A 43 -7.189 9.508 25.488 1.00 23.05 O ATOM 726 ND2 ASN A 43 -6.659 10.383 23.459 1.00 21.53 N ATOM 727 HA ASN A 43 -7.919 7.020 25.266 1.00 0.00 H ATOM 728 HB2 ASN A 43 -7.743 8.354 22.516 1.00 0.00 H ATOM 729 HB3 ASN A 43 -9.085 8.606 23.658 1.00 0.00 H ATOM 730 HD22 ASN A 43 -6.735 10.305 22.445 1.00 0.00 H ATOM 731 HD21 ASN A 43 -6.138 11.156 23.873 1.00 0.00 H ATOM 732 H ASN A 43 -5.777 6.539 24.939 1.00 0.00 H ATOM 733 N LYS A 44 -8.304 4.792 23.378 1.00 17.17 N ATOM 734 CA LYS A 44 -9.218 3.751 22.939 1.00 16.26 C ATOM 735 C LYS A 44 -9.410 2.817 24.128 1.00 16.55 C ATOM 736 O LYS A 44 -8.532 2.703 24.989 1.00 15.86 O ATOM 737 CB LYS A 44 -8.720 2.940 21.722 1.00 17.15 C ATOM 738 CG LYS A 44 -8.198 3.738 20.526 1.00 18.48 C ATOM 739 CD LYS A 44 -9.323 4.339 19.699 1.00 27.68 C ATOM 740 CE LYS A 44 -8.761 5.354 18.752 1.00 31.75 C ATOM 741 NZ LYS A 44 -8.422 6.591 19.532 1.00 37.75 N ATOM 742 HA LYS A 44 -10.143 4.223 22.609 1.00 0.00 H ATOM 743 HB2 LYS A 44 -7.912 2.294 22.065 1.00 0.00 H ATOM 744 HB3 LYS A 44 -9.551 2.327 21.372 1.00 0.00 H ATOM 745 HG2 LYS A 44 -7.562 4.544 20.892 1.00 0.00 H ATOM 746 HG3 LYS A 44 -7.611 3.075 19.891 1.00 0.00 H ATOM 747 HD2 LYS A 44 -9.820 3.550 19.134 1.00 0.00 H ATOM 748 HD3 LYS A 44 -10.044 4.819 20.361 1.00 0.00 H ATOM 749 HE2 LYS A 44 -9.499 5.592 17.986 1.00 0.00 H ATOM 750 HE3 LYS A 44 -7.862 4.959 18.279 1.00 0.00 H ATOM 751 HZ1 LYS A 44 -9.266 6.955 19.974 1.00 0.00 H ATOM 752 HZ2 LYS A 44 -7.733 6.362 20.248 1.00 0.00 H ATOM 753 HZ3 LYS A 44 -8.037 7.294 18.901 1.00 0.00 H ATOM 754 H LYS A 44 -7.324 4.565 23.544 1.00 0.00 H ATOM 755 N LEU A 45 -10.559 2.139 24.137 1.00 16.94 N ATOM 756 CA LEU A 45 -10.925 1.175 25.175 1.00 17.07 C ATOM 757 C LEU A 45 -11.040 -0.244 24.563 1.00 17.13 C ATOM 758 O LEU A 45 -11.512 -0.392 23.425 1.00 18.32 O ATOM 759 CB LEU A 45 -12.312 1.539 25.757 1.00 17.27 C ATOM 760 CG LEU A 45 -12.440 2.846 26.511 1.00 21.04 C ATOM 761 CD1 LEU A 45 -13.877 3.006 27.041 1.00 22.60 C ATOM 762 CD2 LEU A 45 -11.414 2.880 27.655 1.00 25.75 C ATOM 763 HA LEU A 45 -10.159 1.198 25.950 1.00 0.00 H ATOM 764 HB2 LEU A 45 -13.015 1.573 24.925 1.00 0.00 H ATOM 765 HB3 LEU A 45 -12.598 0.740 26.441 1.00 0.00 H ATOM 766 HG LEU A 45 -12.235 3.681 25.842 1.00 0.00 H ATOM 767 HD21 LEU A 45 -11.601 2.048 28.334 1.00 0.00 H ATOM 768 HD22 LEU A 45 -10.409 2.795 27.242 1.00 0.00 H ATOM 769 HD23 LEU A 45 -11.507 3.821 28.197 1.00 0.00 H ATOM 770 HD11 LEU A 45 -14.574 3.003 26.203 1.00 0.00 H ATOM 771 HD12 LEU A 45 -14.110 2.179 27.712 1.00 0.00 H ATOM 772 HD13 LEU A 45 -13.961 3.949 27.582 1.00 0.00 H ATOM 773 H LEU A 45 -11.220 2.302 23.377 1.00 0.00 H ATOM 774 N GLY A 46 -10.644 -1.285 25.308 1.00 17.53 N ATOM 775 CA GLY A 46 -10.751 -2.643 24.787 1.00 17.04 C ATOM 776 C GLY A 46 -10.229 -3.701 25.759 1.00 16.89 C ATOM 777 O GLY A 46 -9.650 -3.372 26.822 1.00 16.86 O ATOM 778 HA3 GLY A 46 -10.176 -2.707 23.863 1.00 0.00 H ATOM 779 HA2 GLY A 46 -11.800 -2.852 24.576 1.00 0.00 H ATOM 780 H GLY A 46 -10.267 -1.127 26.242 1.00 0.00 H ATOM 781 N LEU A 47 -10.452 -4.945 25.393 1.00 15.31 N ATOM 782 CA LEU A 47 -10.008 -6.116 26.143 1.00 14.71 C ATOM 783 C LEU A 47 -8.658 -6.608 25.641 1.00 15.08 C ATOM 784 O LEU A 47 -8.350 -6.548 24.453 1.00 14.97 O ATOM 785 CB LEU A 47 -11.043 -7.262 25.939 1.00 14.89 C ATOM 786 CG LEU A 47 -12.461 -6.959 26.413 1.00 15.37 C ATOM 787 CD1 LEU A 47 -13.371 -8.081 25.926 1.00 17.80 C ATOM 788 CD2 LEU A 47 -12.432 -6.952 27.933 1.00 14.54 C ATOM 789 HA LEU A 47 -9.920 -5.839 27.194 1.00 0.00 H ATOM 790 HB2 LEU A 47 -11.086 -7.490 24.874 1.00 0.00 H ATOM 791 HB3 LEU A 47 -10.687 -8.137 26.483 1.00 0.00 H ATOM 792 HG LEU A 47 -12.822 -6.003 26.033 1.00 0.00 H ATOM 793 HD21 LEU A 47 -12.106 -7.928 28.293 1.00 0.00 H ATOM 794 HD22 LEU A 47 -11.739 -6.185 28.278 1.00 0.00 H ATOM 795 HD23 LEU A 47 -13.431 -6.738 28.313 1.00 0.00 H ATOM 796 HD11 LEU A 47 -13.339 -8.126 24.837 1.00 0.00 H ATOM 797 HD12 LEU A 47 -13.030 -9.030 26.340 1.00 0.00 H ATOM 798 HD13 LEU A 47 -14.392 -7.887 26.253 1.00 0.00 H ATOM 799 H LEU A 47 -10.969 -5.101 24.528 1.00 0.00 H ATOM 800 N PHE A 48 -7.845 -7.166 26.542 1.00 13.63 N ATOM 801 CA PHE A 48 -6.611 -7.769 26.112 1.00 12.93 C ATOM 802 C PHE A 48 -6.286 -8.893 27.119 1.00 14.45 C ATOM 803 O PHE A 48 -6.787 -8.866 28.267 1.00 14.57 O ATOM 804 CB PHE A 48 -5.472 -6.703 26.044 1.00 13.79 C ATOM 805 CG PHE A 48 -5.215 -6.061 27.383 1.00 13.57 C ATOM 806 CD1 PHE A 48 -4.375 -6.683 28.329 1.00 14.45 C ATOM 807 CD2 PHE A 48 -5.889 -4.908 27.721 1.00 14.44 C ATOM 808 CE1 PHE A 48 -4.205 -6.114 29.604 1.00 13.77 C ATOM 809 CE2 PHE A 48 -5.734 -4.320 28.983 1.00 14.65 C ATOM 810 CZ PHE A 48 -4.875 -4.939 29.932 1.00 15.18 C ATOM 811 HA PHE A 48 -6.702 -8.182 25.108 1.00 0.00 H ATOM 812 HB2 PHE A 48 -4.556 -7.188 25.705 1.00 0.00 H ATOM 813 HB3 PHE A 48 -5.757 -5.929 25.332 1.00 0.00 H ATOM 814 HD2 PHE A 48 -6.555 -4.445 26.993 1.00 0.00 H ATOM 815 HE2 PHE A 48 -6.264 -3.401 29.234 1.00 0.00 H ATOM 816 HZ PHE A 48 -4.741 -4.493 30.917 1.00 0.00 H ATOM 817 HE1 PHE A 48 -3.551 -6.592 30.333 1.00 0.00 H ATOM 818 HD1 PHE A 48 -3.856 -7.607 28.072 1.00 0.00 H ATOM 819 H PHE A 48 -8.098 -7.165 27.530 1.00 0.00 H ATOM 820 N PRO A 49 -5.473 -9.886 26.722 1.00 14.73 N ATOM 821 CA PRO A 49 -5.179 -10.987 27.658 1.00 13.65 C ATOM 822 C PRO A 49 -4.368 -10.509 28.824 1.00 14.98 C ATOM 823 O PRO A 49 -3.381 -9.808 28.612 1.00 14.76 O ATOM 824 CB PRO A 49 -4.335 -11.965 26.815 1.00 15.51 C ATOM 825 CG PRO A 49 -4.709 -11.625 25.296 1.00 13.07 C ATOM 826 CD PRO A 49 -4.867 -10.121 25.392 1.00 13.48 C ATOM 827 HA PRO A 49 -6.087 -11.428 28.070 1.00 0.00 H ATOM 828 HD3 PRO A 49 -3.898 -9.628 25.319 1.00 0.00 H ATOM 829 HD2 PRO A 49 -5.521 -9.752 24.602 1.00 0.00 H ATOM 830 HG3 PRO A 49 -5.636 -12.110 24.989 1.00 0.00 H ATOM 831 HG2 PRO A 49 -3.909 -11.905 24.610 1.00 0.00 H ATOM 832 HB2 PRO A 49 -3.271 -11.807 26.993 1.00 0.00 H ATOM 833 HB3 PRO A 49 -4.592 -12.997 27.052 1.00 0.00 H ATOM 834 N ALA A 50 -4.769 -10.875 30.038 1.00 15.17 N ATOM 835 CA ALA A 50 -4.095 -10.392 31.228 1.00 16.86 C ATOM 836 C ALA A 50 -2.643 -10.842 31.227 1.00 16.59 C ATOM 837 O ALA A 50 -1.762 -10.115 31.728 1.00 17.11 O ATOM 838 CB ALA A 50 -4.784 -10.928 32.484 1.00 16.74 C ATOM 839 HA ALA A 50 -4.140 -9.303 31.228 1.00 0.00 H ATOM 840 HB1 ALA A 50 -5.820 -10.591 32.500 1.00 0.00 H ATOM 841 HB2 ALA A 50 -4.755 -12.018 32.476 1.00 0.00 H ATOM 842 HB3 ALA A 50 -4.266 -10.556 33.368 1.00 0.00 H ATOM 843 H ALA A 50 -5.564 -11.506 30.134 1.00 0.00 H ATOM 844 N ASN A 51 -2.389 -12.024 30.674 1.00 16.51 N ATOM 845 CA ASN A 51 -1.033 -12.557 30.711 1.00 16.94 C ATOM 846 C ASN A 51 -0.111 -11.972 29.655 1.00 15.68 C ATOM 847 O ASN A 51 1.057 -12.336 29.544 1.00 17.33 O ATOM 848 CB ASN A 51 -0.991 -14.109 30.806 1.00 16.54 C ATOM 849 CG ASN A 51 -1.487 -14.816 29.542 1.00 19.59 C ATOM 850 OD1 ASN A 51 -1.839 -14.190 28.534 1.00 18.17 O ATOM 851 ND2 ASN A 51 -1.557 -16.131 29.617 1.00 20.09 N ATOM 852 HA ASN A 51 -0.610 -12.205 31.652 1.00 0.00 H ATOM 853 HB2 ASN A 51 0.039 -14.415 30.990 1.00 0.00 H ATOM 854 HB3 ASN A 51 -1.617 -14.420 31.643 1.00 0.00 H ATOM 855 HD22 ASN A 51 -1.257 -16.610 30.466 1.00 0.00 H ATOM 856 HD21 ASN A 51 -1.911 -16.669 28.826 1.00 0.00 H ATOM 857 H ASN A 51 -3.137 -12.554 30.227 1.00 0.00 H ATOM 858 N TYR A 52 -0.634 -11.047 28.865 1.00 15.90 N ATOM 859 CA TYR A 52 0.209 -10.291 27.936 1.00 15.84 C ATOM 860 C TYR A 52 0.828 -9.034 28.525 1.00 15.49 C ATOM 861 O TYR A 52 1.603 -8.379 27.837 1.00 17.24 O ATOM 862 CB TYR A 52 -0.562 -9.948 26.641 1.00 14.83 C ATOM 863 CG TYR A 52 -0.470 -11.051 25.610 1.00 15.34 C ATOM 864 CD1 TYR A 52 -0.914 -12.345 25.899 1.00 15.42 C ATOM 865 CD2 TYR A 52 0.054 -10.793 24.333 1.00 16.18 C ATOM 866 CE1 TYR A 52 -0.785 -13.375 24.953 1.00 15.71 C ATOM 867 CE2 TYR A 52 0.170 -11.823 23.376 1.00 17.85 C ATOM 868 CZ TYR A 52 -0.267 -13.099 23.701 1.00 18.19 C ATOM 869 OH TYR A 52 -0.157 -14.137 22.789 1.00 18.51 O ATOM 870 HA TYR A 52 1.042 -10.956 27.706 1.00 0.00 H ATOM 871 HB3 TYR A 52 -0.146 -9.035 26.216 1.00 0.00 H ATOM 872 HB2 TYR A 52 -1.611 -9.786 26.889 1.00 0.00 H ATOM 873 HD2 TYR A 52 0.375 -9.783 24.078 1.00 0.00 H ATOM 874 HE2 TYR A 52 0.597 -11.619 22.394 1.00 0.00 H ATOM 875 HE1 TYR A 52 -1.093 -14.390 25.205 1.00 0.00 H ATOM 876 HD1 TYR A 52 -1.365 -12.557 26.869 1.00 0.00 H ATOM 877 HH TYR A 52 -0.656 -13.921 21.998 1.00 0.00 H ATOM 878 H TYR A 52 -1.636 -10.859 28.904 1.00 0.00 H ATOM 879 N VAL A 53 0.538 -8.716 29.786 1.00 16.68 N ATOM 880 CA VAL A 53 1.062 -7.515 30.430 1.00 17.01 C ATOM 881 C VAL A 53 1.630 -7.859 31.795 1.00 18.31 C ATOM 882 O VAL A 53 1.370 -8.958 32.311 1.00 17.41 O ATOM 883 CB VAL A 53 -0.019 -6.372 30.578 1.00 16.32 C ATOM 884 CG1 VAL A 53 -0.579 -5.972 29.170 1.00 15.66 C ATOM 885 CG2 VAL A 53 -1.148 -6.721 31.565 1.00 17.39 C ATOM 886 HA VAL A 53 1.849 -7.132 29.781 1.00 0.00 H ATOM 887 HB VAL A 53 0.486 -5.510 31.014 1.00 0.00 H ATOM 888 HG11 VAL A 53 0.238 -5.613 28.544 1.00 0.00 H ATOM 889 HG12 VAL A 53 -1.040 -6.842 28.703 1.00 0.00 H ATOM 890 HG13 VAL A 53 -1.323 -5.184 29.287 1.00 0.00 H ATOM 891 HG21 VAL A 53 -1.664 -7.618 31.222 1.00 0.00 H ATOM 892 HG22 VAL A 53 -0.723 -6.900 32.553 1.00 0.00 H ATOM 893 HG23 VAL A 53 -1.853 -5.892 31.616 1.00 0.00 H ATOM 894 H VAL A 53 -0.072 -9.334 30.321 1.00 0.00 H ATOM 895 N ALA A 54 2.433 -6.946 32.338 1.00 20.48 N ATOM 896 CA ALA A 54 2.957 -7.070 33.690 1.00 21.72 C ATOM 897 C ALA A 54 2.500 -5.812 34.460 1.00 23.11 C ATOM 898 O ALA A 54 2.748 -4.693 34.020 1.00 23.71 O ATOM 899 CB ALA A 54 4.494 -7.194 33.639 1.00 22.07 C ATOM 900 HA ALA A 54 2.587 -7.962 34.195 1.00 0.00 H ATOM 901 HB1 ALA A 54 4.767 -8.077 33.061 1.00 0.00 H ATOM 902 HB2 ALA A 54 4.913 -6.306 33.167 1.00 0.00 H ATOM 903 HB3 ALA A 54 4.884 -7.287 34.653 1.00 0.00 H ATOM 904 H ALA A 54 2.691 -6.128 31.785 1.00 0.00 H ATOM 905 N PRO A 55 1.805 -5.996 35.584 1.00 24.21 N ATOM 906 CA PRO A 55 1.430 -4.889 36.481 1.00 25.57 C ATOM 907 C PRO A 55 2.615 -4.017 36.903 1.00 27.07 C ATOM 908 O PRO A 55 3.726 -4.571 36.935 1.00 27.58 O ATOM 909 CB PRO A 55 0.870 -5.631 37.700 1.00 26.28 C ATOM 910 CG PRO A 55 0.266 -6.887 37.065 1.00 25.33 C ATOM 911 CD PRO A 55 1.312 -7.289 36.095 1.00 24.52 C ATOM 912 HA PRO A 55 0.739 -4.196 36.000 1.00 0.00 H ATOM 913 HD3 PRO A 55 2.109 -7.846 36.587 1.00 0.00 H ATOM 914 HD2 PRO A 55 0.890 -7.893 35.292 1.00 0.00 H ATOM 915 HG3 PRO A 55 -0.674 -6.661 36.561 1.00 0.00 H ATOM 916 HG2 PRO A 55 0.099 -7.665 37.810 1.00 0.00 H ATOM 917 HB2 PRO A 55 1.661 -5.886 38.406 1.00 0.00 H ATOM 918 HB3 PRO A 55 0.108 -5.039 38.208 1.00 0.00 H TER 919 PRO A 55 ATOM 920 N TRP B 3 5.755 9.510 35.692 1.00 28.47 N ATOM 921 CA TRP B 3 4.610 9.078 34.813 1.00 28.18 C ATOM 922 C TRP B 3 3.652 10.191 34.330 1.00 27.86 C ATOM 923 O TRP B 3 3.068 10.910 35.150 1.00 27.47 O ATOM 924 CB TRP B 3 3.850 7.972 35.487 1.00 29.08 C ATOM 925 CG TRP B 3 4.703 6.753 35.680 1.00 30.64 C ATOM 926 CD1 TRP B 3 5.302 6.336 36.843 1.00 33.07 C ATOM 927 CD2 TRP B 3 5.082 5.798 34.671 1.00 30.99 C ATOM 928 NE1 TRP B 3 6.005 5.176 36.617 1.00 33.70 N ATOM 929 CE2 TRP B 3 5.893 4.826 35.293 1.00 31.94 C ATOM 930 CE3 TRP B 3 4.805 5.662 33.302 1.00 27.51 C ATOM 931 CZ2 TRP B 3 6.435 3.731 34.591 1.00 33.22 C ATOM 932 CZ3 TRP B 3 5.328 4.581 32.615 1.00 28.21 C ATOM 933 CH2 TRP B 3 6.144 3.638 33.251 1.00 30.22 C ATOM 934 HA TRP B 3 5.078 8.732 33.892 1.00 0.00 H ATOM 935 HB2 TRP B 3 3.506 8.321 36.461 1.00 0.00 H ATOM 936 HB3 TRP B 3 2.989 7.708 34.872 1.00 0.00 H ATOM 937 HE1 TRP B 3 6.528 4.657 37.322 1.00 0.00 H ATOM 938 HD1 TRP B 3 5.231 6.848 37.803 1.00 0.00 H ATOM 939 HZ2 TRP B 3 7.059 2.989 35.090 1.00 0.00 H ATOM 940 HH2 TRP B 3 6.557 2.813 32.671 1.00 0.00 H ATOM 941 HZ3 TRP B 3 5.100 4.461 31.556 1.00 0.00 H ATOM 942 HE3 TRP B 3 4.187 6.397 32.787 1.00 0.00 H ATOM 943 HN3 TRP B 3 5.387 9.948 36.537 1.00 0.00 H ATOM 944 HN2 TRP B 3 6.336 10.179 35.187 1.00 0.00 H ATOM 945 HN1 TRP B 3 6.314 8.695 35.945 1.00 0.00 H ATOM 946 N ALA B 4 3.480 10.325 33.007 1.00 24.88 N ATOM 947 CA ALA B 4 2.703 11.448 32.454 1.00 22.88 C ATOM 948 C ALA B 4 1.913 11.129 31.191 1.00 22.44 C ATOM 949 O ALA B 4 2.339 10.327 30.385 1.00 21.97 O ATOM 950 CB ALA B 4 3.621 12.617 32.173 1.00 22.35 C ATOM 951 HA ALA B 4 1.965 11.686 33.220 1.00 0.00 H ATOM 952 HB1 ALA B 4 4.101 12.932 33.100 1.00 0.00 H ATOM 953 HB2 ALA B 4 4.382 12.315 31.453 1.00 0.00 H ATOM 954 HB3 ALA B 4 3.040 13.444 31.764 1.00 0.00 H ATOM 955 H ALA B 4 3.893 9.640 32.374 1.00 0.00 H ATOM 956 N ARG B 5 0.755 11.772 31.028 1.00 20.80 N ATOM 957 CA ARG B 5 -0.045 11.615 29.824 1.00 20.68 C ATOM 958 C ARG B 5 0.200 12.779 28.860 1.00 19.58 C ATOM 959 O ARG B 5 0.149 13.941 29.258 1.00 18.15 O ATOM 960 CB ARG B 5 -1.556 11.528 30.146 1.00 21.75 C ATOM 961 CG ARG B 5 -2.414 10.931 29.010 1.00 25.83 C ATOM 962 CD ARG B 5 -3.792 10.431 29.522 1.00 32.60 C ATOM 963 NE ARG B 5 -3.811 8.971 29.629 1.00 35.84 N ATOM 964 CZ ARG B 5 -4.219 8.270 30.689 1.00 38.48 C ATOM 965 NH1 ARG B 5 -4.682 8.857 31.797 1.00 38.96 N ATOM 966 NH2 ARG B 5 -4.183 6.945 30.624 1.00 40.72 N ATOM 967 HA ARG B 5 0.262 10.680 29.356 1.00 0.00 H ATOM 968 HB2 ARG B 5 -1.681 10.906 31.032 1.00 0.00 H ATOM 969 HB3 ARG B 5 -1.919 12.534 30.356 1.00 0.00 H ATOM 970 HG2 ARG B 5 -2.577 11.697 28.252 1.00 0.00 H ATOM 971 HG3 ARG B 5 -1.877 10.092 28.567 1.00 0.00 H ATOM 972 HD2 ARG B 5 -4.568 10.748 28.826 1.00 0.00 H ATOM 973 HD3 ARG B 5 -3.987 10.864 30.503 1.00 0.00 H ATOM 974 HE ARG B 5 -3.483 8.442 28.821 1.00 0.00 H ATOM 975 HH12 ARG B 5 -4.985 8.288 32.587 1.00 0.00 H ATOM 976 HH11 ARG B 5 -4.732 9.874 31.852 1.00 0.00 H ATOM 977 HH22 ARG B 5 -4.489 6.387 31.421 1.00 0.00 H ATOM 978 HH21 ARG B 5 -3.849 6.485 29.777 1.00 0.00 H ATOM 979 H ARG B 5 0.422 12.390 31.768 1.00 0.00 H ATOM 980 N ALA B 6 0.429 12.453 27.581 1.00 17.27 N ATOM 981 CA ALA B 6 0.594 13.473 26.559 1.00 17.66 C ATOM 982 C ALA B 6 -0.747 14.198 26.376 1.00 17.15 C ATOM 983 O ALA B 6 -1.790 13.563 26.227 1.00 17.29 O ATOM 984 CB ALA B 6 1.014 12.831 25.251 1.00 16.35 C ATOM 985 HA ALA B 6 1.365 14.182 26.861 1.00 0.00 H ATOM 986 HB1 ALA B 6 1.959 12.307 25.392 1.00 0.00 H ATOM 987 HB2 ALA B 6 0.248 12.123 24.933 1.00 0.00 H ATOM 988 HB3 ALA B 6 1.135 13.603 24.491 1.00 0.00 H ATOM 989 H ALA B 6 0.489 11.469 27.319 1.00 0.00 H ATOM 990 N LEU B 7 -0.680 15.521 26.385 1.00 16.86 N ATOM 991 CA LEU B 7 -1.860 16.360 26.238 1.00 17.52 C ATOM 992 C LEU B 7 -2.087 16.748 24.767 1.00 17.78 C ATOM 993 O LEU B 7 -3.230 16.974 24.329 1.00 17.84 O ATOM 994 CB LEU B 7 -1.719 17.607 27.140 1.00 16.22 C ATOM 995 CG LEU B 7 -1.645 17.238 28.596 1.00 18.17 C ATOM 996 CD1 LEU B 7 -1.278 18.462 29.497 1.00 17.77 C ATOM 997 CD2 LEU B 7 -2.977 16.597 29.038 1.00 20.81 C ATOM 998 HA LEU B 7 -2.739 15.798 26.554 1.00 0.00 H ATOM 999 HB2 LEU B 7 -0.810 18.141 26.864 1.00 0.00 H ATOM 1000 HB3 LEU B 7 -2.581 18.255 26.983 1.00 0.00 H ATOM 1001 HG LEU B 7 -0.842 16.512 28.721 1.00 0.00 H ATOM 1002 HD21 LEU B 7 -3.789 17.308 28.885 1.00 0.00 H ATOM 1003 HD22 LEU B 7 -3.161 15.700 28.446 1.00 0.00 H ATOM 1004 HD23 LEU B 7 -2.918 16.331 30.094 1.00 0.00 H ATOM 1005 HD11 LEU B 7 -0.306 18.854 29.197 1.00 0.00 H ATOM 1006 HD12 LEU B 7 -2.036 19.237 29.381 1.00 0.00 H ATOM 1007 HD13 LEU B 7 -1.237 18.145 30.539 1.00 0.00 H ATOM 1008 H LEU B 7 0.230 15.967 26.499 1.00 0.00 H ATOM 1009 N TYR B 8 -0.997 16.836 24.026 1.00 17.65 N ATOM 1010 CA TYR B 8 -1.020 17.295 22.642 1.00 18.17 C ATOM 1011 C TYR B 8 -0.022 16.473 21.877 1.00 18.29 C ATOM 1012 O TYR B 8 0.885 15.896 22.475 1.00 18.30 O ATOM 1013 CB TYR B 8 -0.586 18.772 22.570 1.00 18.06 C ATOM 1014 CG TYR B 8 -1.379 19.675 23.476 1.00 17.47 C ATOM 1015 CD1 TYR B 8 -2.632 20.141 23.089 1.00 24.18 C ATOM 1016 CD2 TYR B 8 -0.904 20.014 24.736 1.00 20.42 C ATOM 1017 CE1 TYR B 8 -3.395 20.977 23.931 1.00 25.70 C ATOM 1018 CE2 TYR B 8 -1.654 20.843 25.585 1.00 24.38 C ATOM 1019 CZ TYR B 8 -2.900 21.306 25.170 1.00 25.72 C ATOM 1020 OH TYR B 8 -3.647 22.128 25.986 1.00 30.61 O ATOM 1021 HA TYR B 8 -2.025 17.194 22.231 1.00 0.00 H ATOM 1022 HB3 TYR B 8 -0.708 19.118 21.544 1.00 0.00 H ATOM 1023 HB2 TYR B 8 0.465 18.837 22.851 1.00 0.00 H ATOM 1024 HD2 TYR B 8 0.061 19.632 25.069 1.00 0.00 H ATOM 1025 HE2 TYR B 8 -1.263 21.123 26.563 1.00 0.00 H ATOM 1026 HE1 TYR B 8 -4.363 21.356 23.604 1.00 0.00 H ATOM 1027 HD1 TYR B 8 -3.032 19.854 22.116 1.00 0.00 H ATOM 1028 HH TYR B 8 -3.835 21.673 26.810 1.00 0.00 H ATOM 1029 H TYR B 8 -0.102 16.572 24.439 1.00 0.00 H ATOM 1030 N ASP B 9 -0.172 16.430 20.550 1.00 16.74 N ATOM 1031 CA ASP B 9 0.856 15.800 19.730 1.00 16.58 C ATOM 1032 C ASP B 9 2.131 16.631 19.814 1.00 16.11 C ATOM 1033 O ASP B 9 2.102 17.889 19.674 1.00 16.19 O ATOM 1034 CB ASP B 9 0.459 15.757 18.241 1.00 16.49 C ATOM 1035 CG ASP B 9 -0.741 14.908 17.967 1.00 21.65 C ATOM 1036 OD1 ASP B 9 -1.218 14.148 18.844 1.00 18.37 O ATOM 1037 OD2 ASP B 9 -1.289 14.948 16.850 1.00 22.22 O ATOM 1038 HA ASP B 9 0.991 14.785 20.103 1.00 0.00 H ATOM 1039 HB2 ASP B 9 0.245 16.774 17.911 1.00 0.00 H ATOM 1040 HB3 ASP B 9 1.299 15.361 17.671 1.00 0.00 H ATOM 1041 H ASP B 9 -1.000 16.835 20.114 1.00 0.00 H ATOM 1042 N PHE B 10 3.253 15.929 19.959 1.00 15.24 N ATOM 1043 CA PHE B 10 4.579 16.532 19.881 1.00 15.67 C ATOM 1044 C PHE B 10 5.377 15.796 18.814 1.00 16.01 C ATOM 1045 O PHE B 10 5.636 14.610 18.930 1.00 15.31 O ATOM 1046 CB PHE B 10 5.309 16.539 21.232 1.00 16.29 C ATOM 1047 CG PHE B 10 6.758 16.931 21.111 1.00 13.18 C ATOM 1048 CD1 PHE B 10 7.112 18.162 20.564 1.00 16.80 C ATOM 1049 CD2 PHE B 10 7.749 16.010 21.413 1.00 15.07 C ATOM 1050 CE1 PHE B 10 8.484 18.514 20.372 1.00 18.86 C ATOM 1051 CE2 PHE B 10 9.103 16.329 21.237 1.00 14.80 C ATOM 1052 CZ PHE B 10 9.474 17.585 20.690 1.00 14.70 C ATOM 1053 HA PHE B 10 4.472 17.582 19.608 1.00 0.00 H ATOM 1054 HB2 PHE B 10 4.810 17.247 21.894 1.00 0.00 H ATOM 1055 HB3 PHE B 10 5.253 15.540 21.663 1.00 0.00 H ATOM 1056 HD2 PHE B 10 7.472 15.026 21.792 1.00 0.00 H ATOM 1057 HE2 PHE B 10 9.872 15.611 21.521 1.00 0.00 H ATOM 1058 HZ PHE B 10 10.524 17.821 20.520 1.00 0.00 H ATOM 1059 HE1 PHE B 10 8.753 19.496 19.982 1.00 0.00 H ATOM 1060 HD1 PHE B 10 6.332 18.867 20.278 1.00 0.00 H ATOM 1061 H PHE B 10 3.182 14.926 20.132 1.00 0.00 H ATOM 1062 N GLU B 11 5.739 16.518 17.754 1.00 16.13 N ATOM 1063 CA GLU B 11 6.452 15.922 16.639 1.00 17.44 C ATOM 1064 C GLU B 11 7.951 16.072 16.824 1.00 16.86 C ATOM 1065 O GLU B 11 8.458 17.199 16.822 1.00 17.31 O ATOM 1066 CB GLU B 11 6.000 16.593 15.328 1.00 16.60 C ATOM 1067 CG GLU B 11 6.576 15.966 14.067 1.00 20.21 C ATOM 1068 CD GLU B 11 6.029 16.609 12.783 1.00 24.93 C ATOM 1069 OE1 GLU B 11 5.206 17.563 12.837 1.00 23.15 O ATOM 1070 OE2 GLU B 11 6.420 16.149 11.700 1.00 26.91 O ATOM 1071 HA GLU B 11 6.223 14.857 16.595 1.00 0.00 H ATOM 1072 HB2 GLU B 11 4.913 16.534 15.272 1.00 0.00 H ATOM 1073 HB3 GLU B 11 6.305 17.639 15.358 1.00 0.00 H ATOM 1074 HG2 GLU B 11 7.660 16.084 14.082 1.00 0.00 H ATOM 1075 HG3 GLU B 11 6.327 14.905 14.060 1.00 0.00 H ATOM 1076 H GLU B 11 5.510 17.512 17.726 1.00 0.00 H ATOM 1077 N ALA B 12 8.673 14.954 16.964 1.00 16.43 N ATOM 1078 CA ALA B 12 10.120 15.037 17.136 1.00 17.26 C ATOM 1079 C ALA B 12 10.750 15.507 15.836 1.00 18.37 C ATOM 1080 O ALA B 12 10.459 14.946 14.783 1.00 19.46 O ATOM 1081 CB ALA B 12 10.696 13.691 17.556 1.00 16.80 C ATOM 1082 HA ALA B 12 10.345 15.752 17.927 1.00 0.00 H ATOM 1083 HB1 ALA B 12 10.247 13.384 18.501 1.00 0.00 H ATOM 1084 HB2 ALA B 12 10.476 12.948 16.790 1.00 0.00 H ATOM 1085 HB3 ALA B 12 11.775 13.781 17.677 1.00 0.00 H ATOM 1086 H ALA B 12 8.212 14.044 16.951 1.00 0.00 H ATOM 1087 N LEU B 13 11.618 16.507 15.910 1.00 17.83 N ATOM 1088 CA LEU B 13 12.258 17.008 14.690 1.00 19.97 C ATOM 1089 C LEU B 13 13.764 16.885 14.767 1.00 22.03 C ATOM 1090 O LEU B 13 14.464 17.231 13.799 1.00 22.46 O ATOM 1091 CB LEU B 13 11.846 18.455 14.420 1.00 17.70 C ATOM 1092 CG LEU B 13 10.373 18.710 14.118 1.00 18.54 C ATOM 1093 CD1 LEU B 13 10.132 20.189 13.795 1.00 23.15 C ATOM 1094 CD2 LEU B 13 9.883 17.850 12.993 1.00 20.46 C ATOM 1095 HA LEU B 13 11.917 16.391 13.858 1.00 0.00 H ATOM 1096 HB2 LEU B 13 12.108 19.042 15.301 1.00 0.00 H ATOM 1097 HB3 LEU B 13 12.423 18.808 13.565 1.00 0.00 H ATOM 1098 HG LEU B 13 9.809 18.448 15.013 1.00 0.00 H ATOM 1099 HD21 LEU B 13 10.461 18.065 12.094 1.00 0.00 H ATOM 1100 HD22 LEU B 13 10.003 16.800 13.261 1.00 0.00 H ATOM 1101 HD23 LEU B 13 8.830 18.061 12.808 1.00 0.00 H ATOM 1102 HD11 LEU B 13 10.427 20.799 14.649 1.00 0.00 H ATOM 1103 HD12 LEU B 13 10.724 20.470 12.924 1.00 0.00 H ATOM 1104 HD13 LEU B 13 9.074 20.346 13.583 1.00 0.00 H ATOM 1105 H LEU B 13 11.840 16.926 16.813 1.00 0.00 H ATOM 1106 N GLU B 14 14.253 16.402 15.912 1.00 21.91 N ATOM 1107 CA GLU B 14 15.684 16.190 16.139 1.00 23.06 C ATOM 1108 C GLU B 14 15.863 14.809 16.703 1.00 22.41 C ATOM 1109 O GLU B 14 14.933 14.278 17.325 1.00 20.73 O ATOM 1110 CB GLU B 14 16.258 17.233 17.094 1.00 22.38 C ATOM 1111 CG GLU B 14 16.084 18.695 16.655 1.00 24.54 C ATOM 1112 CD GLU B 14 16.943 19.100 15.454 1.00 29.92 C ATOM 1113 OE1 GLU B 14 17.936 18.397 15.122 1.00 29.08 O ATOM 1114 OE2 GLU B 14 16.595 20.136 14.817 1.00 31.42 O ATOM 1115 HA GLU B 14 16.221 16.291 15.196 1.00 0.00 H ATOM 1116 HB2 GLU B 14 15.768 17.111 18.060 1.00 0.00 H ATOM 1117 HB3 GLU B 14 17.325 17.039 17.203 1.00 0.00 H ATOM 1118 HG2 GLU B 14 15.037 18.851 16.394 1.00 0.00 H ATOM 1119 HG3 GLU B 14 16.347 19.337 17.495 1.00 0.00 H ATOM 1120 H GLU B 14 13.601 16.171 16.661 1.00 0.00 H ATOM 1121 N GLU B 15 17.068 14.258 16.538 1.00 22.42 N ATOM 1122 CA GLU B 15 17.340 12.884 16.918 1.00 23.14 C ATOM 1123 C GLU B 15 17.184 12.675 18.415 1.00 21.60 C ATOM 1124 O GLU B 15 16.861 11.607 18.860 1.00 22.28 O ATOM 1125 CB GLU B 15 18.782 12.510 16.519 1.00 23.80 C ATOM 1126 CG GLU B 15 19.114 12.758 15.060 1.00 29.93 C ATOM 1127 CD GLU B 15 18.577 11.693 14.108 1.00 37.47 C ATOM 1128 OE1 GLU B 15 17.398 11.299 14.228 1.00 42.23 O ATOM 1129 OE2 GLU B 15 19.341 11.254 13.201 1.00 43.25 O ATOM 1130 HA GLU B 15 16.620 12.251 16.399 1.00 0.00 H ATOM 1131 HB2 GLU B 15 19.468 13.097 17.129 1.00 0.00 H ATOM 1132 HB3 GLU B 15 18.929 11.450 16.727 1.00 0.00 H ATOM 1133 HG2 GLU B 15 18.691 13.720 14.771 1.00 0.00 H ATOM 1134 HG3 GLU B 15 20.199 12.794 14.957 1.00 0.00 H ATOM 1135 H GLU B 15 17.818 14.818 16.134 1.00 0.00 H ATOM 1136 N ASP B 16 17.463 13.714 19.174 1.00 19.66 N ATOM 1137 CA ASP B 16 17.382 13.611 20.630 1.00 17.85 C ATOM 1138 C ASP B 16 16.002 13.859 21.239 1.00 16.98 C ATOM 1139 O ASP B 16 15.879 13.872 22.480 1.00 15.79 O ATOM 1140 CB ASP B 16 18.474 14.501 21.275 1.00 18.17 C ATOM 1141 CG ASP B 16 18.254 16.000 21.079 1.00 19.54 C ATOM 1142 OD1 ASP B 16 17.250 16.412 20.463 1.00 15.44 O ATOM 1143 OD2 ASP B 16 19.056 16.870 21.558 1.00 20.59 O ATOM 1144 HA ASP B 16 17.567 12.563 20.865 1.00 0.00 H ATOM 1145 HB2 ASP B 16 18.496 14.295 22.345 1.00 0.00 H ATOM 1146 HB3 ASP B 16 19.436 14.236 20.836 1.00 0.00 H ATOM 1147 H ASP B 16 17.738 14.597 18.743 1.00 0.00 H ATOM 1148 N GLU B 17 14.979 14.054 20.404 1.00 16.18 N ATOM 1149 CA GLU B 17 13.612 14.276 20.888 1.00 14.87 C ATOM 1150 C GLU B 17 12.762 13.007 20.872 1.00 15.88 C ATOM 1151 O GLU B 17 12.987 12.087 20.072 1.00 15.96 O ATOM 1152 CB GLU B 17 12.929 15.386 20.051 1.00 14.68 C ATOM 1153 CG GLU B 17 13.670 16.702 20.220 1.00 13.54 C ATOM 1154 CD GLU B 17 13.216 17.769 19.262 1.00 13.95 C ATOM 1155 OE1 GLU B 17 12.309 17.510 18.413 1.00 14.87 O ATOM 1156 OE2 GLU B 17 13.802 18.868 19.350 1.00 15.64 O ATOM 1157 HA GLU B 17 13.690 14.590 21.929 1.00 0.00 H ATOM 1158 HB2 GLU B 17 12.937 15.101 18.999 1.00 0.00 H ATOM 1159 HB3 GLU B 17 11.899 15.507 20.386 1.00 0.00 H ATOM 1160 HG2 GLU B 17 13.512 17.060 21.237 1.00 0.00 H ATOM 1161 HG3 GLU B 17 14.733 16.523 20.060 1.00 0.00 H ATOM 1162 H GLU B 17 15.153 14.048 19.399 1.00 0.00 H ATOM 1163 N LEU B 18 11.798 12.978 21.787 1.00 15.40 N ATOM 1164 CA LEU B 18 10.872 11.852 21.931 1.00 14.82 C ATOM 1165 C LEU B 18 9.519 12.349 21.481 1.00 15.32 C ATOM 1166 O LEU B 18 8.869 13.081 22.220 1.00 15.63 O ATOM 1167 CB LEU B 18 10.829 11.428 23.407 1.00 15.49 C ATOM 1168 CG LEU B 18 9.949 10.231 23.776 1.00 15.22 C ATOM 1169 CD1 LEU B 18 10.692 8.895 23.469 1.00 16.20 C ATOM 1170 CD2 LEU B 18 9.572 10.345 25.304 1.00 14.27 C ATOM 1171 HA LEU B 18 11.178 10.990 21.339 1.00 0.00 H ATOM 1172 HB2 LEU B 18 11.849 11.188 23.707 1.00 0.00 H ATOM 1173 HB3 LEU B 18 10.474 12.283 23.982 1.00 0.00 H ATOM 1174 HG LEU B 18 9.036 10.234 23.180 1.00 0.00 H ATOM 1175 HD21 LEU B 18 10.483 10.339 25.903 1.00 0.00 H ATOM 1176 HD22 LEU B 18 9.030 11.275 25.475 1.00 0.00 H ATOM 1177 HD23 LEU B 18 8.944 9.500 25.586 1.00 0.00 H ATOM 1178 HD11 LEU B 18 10.928 8.848 22.406 1.00 0.00 H ATOM 1179 HD12 LEU B 18 11.613 8.851 24.050 1.00 0.00 H ATOM 1180 HD13 LEU B 18 10.052 8.055 23.737 1.00 0.00 H ATOM 1181 H LEU B 18 11.699 13.775 22.416 1.00 0.00 H ATOM 1182 N GLY B 19 9.093 11.961 20.281 1.00 15.07 N ATOM 1183 CA GLY B 19 7.808 12.416 19.759 1.00 14.65 C ATOM 1184 C GLY B 19 6.684 11.543 20.255 1.00 14.68 C ATOM 1185 O GLY B 19 6.905 10.407 20.636 1.00 14.05 O ATOM 1186 HA3 GLY B 19 7.833 12.381 18.670 1.00 0.00 H ATOM 1187 HA2 GLY B 19 7.634 13.442 20.085 1.00 0.00 H ATOM 1188 H GLY B 19 9.672 11.337 19.719 1.00 0.00 H ATOM 1189 N PHE B 20 5.468 12.100 20.279 1.00 15.79 N ATOM 1190 CA PHE B 20 4.290 11.340 20.699 1.00 15.60 C ATOM 1191 C PHE B 20 3.018 11.970 20.236 1.00 16.21 C ATOM 1192 O PHE B 20 2.975 13.151 19.917 1.00 16.68 O ATOM 1193 CB PHE B 20 4.223 11.157 22.234 1.00 13.50 C ATOM 1194 CG PHE B 20 4.490 12.400 23.043 1.00 15.48 C ATOM 1195 CD1 PHE B 20 3.589 13.480 23.071 1.00 15.41 C ATOM 1196 CD2 PHE B 20 5.682 12.499 23.789 1.00 15.54 C ATOM 1197 CE1 PHE B 20 3.856 14.615 23.845 1.00 14.24 C ATOM 1198 CE2 PHE B 20 5.987 13.633 24.518 1.00 15.72 C ATOM 1199 CZ PHE B 20 5.040 14.702 24.569 1.00 15.85 C ATOM 1200 HA PHE B 20 4.397 10.362 20.230 1.00 0.00 H ATOM 1201 HB2 PHE B 20 3.226 10.798 22.487 1.00 0.00 H ATOM 1202 HB3 PHE B 20 4.961 10.406 22.516 1.00 0.00 H ATOM 1203 HD2 PHE B 20 6.380 11.661 23.791 1.00 0.00 H ATOM 1204 HE2 PHE B 20 6.937 13.711 25.047 1.00 0.00 H ATOM 1205 HZ PHE B 20 5.246 15.585 25.175 1.00 0.00 H ATOM 1206 HE1 PHE B 20 3.135 15.432 23.880 1.00 0.00 H ATOM 1207 HD1 PHE B 20 2.672 13.432 22.483 1.00 0.00 H ATOM 1208 H PHE B 20 5.360 13.075 19.999 1.00 0.00 H ATOM 1209 N ARG B 21 1.969 11.135 20.181 1.00 17.08 N ATOM 1210 CA ARG B 21 0.617 11.594 19.945 1.00 18.74 C ATOM 1211 C ARG B 21 -0.055 11.870 21.260 1.00 17.98 C ATOM 1212 O ARG B 21 0.274 11.238 22.288 1.00 18.86 O ATOM 1213 CB ARG B 21 -0.168 10.487 19.229 1.00 19.02 C ATOM 1214 CG ARG B 21 0.250 10.316 17.773 1.00 25.00 C ATOM 1215 CD ARG B 21 -0.476 11.269 16.848 1.00 35.11 C ATOM 1216 NE ARG B 21 0.246 11.574 15.608 1.00 42.18 N ATOM 1217 CZ ARG B 21 -0.235 12.376 14.650 1.00 44.78 C ATOM 1218 NH1 ARG B 21 -1.446 12.931 14.770 1.00 45.23 N ATOM 1219 NH2 ARG B 21 0.487 12.620 13.557 1.00 47.56 N ATOM 1220 HA ARG B 21 0.643 12.500 19.339 1.00 0.00 H ATOM 1221 HB2 ARG B 21 -0.001 9.546 19.753 1.00 0.00 H ATOM 1222 HB3 ARG B 21 -1.229 10.735 19.261 1.00 0.00 H ATOM 1223 HG2 ARG B 21 1.322 10.498 17.693 1.00 0.00 H ATOM 1224 HG3 ARG B 21 0.032 9.294 17.464 1.00 0.00 H ATOM 1225 HD2 ARG B 21 -0.645 12.203 17.384 1.00 0.00 H ATOM 1226 HD3 ARG B 21 -1.436 10.825 16.584 1.00 0.00 H ATOM 1227 HE ARG B 21 1.164 11.152 15.468 1.00 0.00 H ATOM 1228 HH12 ARG B 21 -1.803 13.541 14.034 1.00 0.00 H ATOM 1229 HH11 ARG B 21 -2.013 12.745 15.597 1.00 0.00 H ATOM 1230 HH22 ARG B 21 0.119 13.231 12.828 1.00 0.00 H ATOM 1231 HH21 ARG B 21 1.408 12.195 13.449 1.00 0.00 H ATOM 1232 H ARG B 21 2.131 10.136 20.311 1.00 0.00 H ATOM 1233 N SER B 22 -1.024 12.786 21.269 1.00 18.10 N ATOM 1234 CA SER B 22 -1.783 12.989 22.499 1.00 18.77 C ATOM 1235 C SER B 22 -2.397 11.689 23.025 1.00 18.35 C ATOM 1236 O SER B 22 -2.789 10.797 22.246 1.00 18.52 O ATOM 1237 CB SER B 22 -2.816 14.147 22.445 1.00 18.85 C ATOM 1238 OG SER B 22 -3.858 13.844 21.535 1.00 26.30 O ATOM 1239 HA SER B 22 -1.040 13.319 23.225 1.00 0.00 H ATOM 1240 HB2 SER B 22 -2.314 15.060 22.124 1.00 0.00 H ATOM 1241 HB3 SER B 22 -3.240 14.296 23.438 1.00 0.00 H ATOM 1242 HG SER B 22 -4.486 14.570 21.515 1.00 0.00 H ATOM 1243 H SER B 22 -1.231 13.333 20.434 1.00 0.00 H ATOM 1244 N GLY B 23 -2.396 11.529 24.333 1.00 18.10 N ATOM 1245 CA GLY B 23 -3.003 10.336 24.915 1.00 17.97 C ATOM 1246 C GLY B 23 -1.973 9.283 25.305 1.00 19.07 C ATOM 1247 O GLY B 23 -2.295 8.371 26.094 1.00 17.76 O ATOM 1248 HA3 GLY B 23 -3.687 9.902 24.186 1.00 0.00 H ATOM 1249 HA2 GLY B 23 -3.559 10.627 25.806 1.00 0.00 H ATOM 1250 H GLY B 23 -1.973 12.235 24.936 1.00 0.00 H ATOM 1251 N GLU B 24 -0.736 9.413 24.794 1.00 18.25 N ATOM 1252 CA GLU B 24 0.329 8.470 25.154 1.00 18.39 C ATOM 1253 C GLU B 24 0.691 8.590 26.619 1.00 18.16 C ATOM 1254 O GLU B 24 0.633 9.658 27.191 1.00 18.11 O ATOM 1255 CB GLU B 24 1.600 8.757 24.349 1.00 19.06 C ATOM 1256 CG GLU B 24 1.502 8.332 22.912 1.00 19.93 C ATOM 1257 CD GLU B 24 1.673 6.825 22.653 1.00 21.16 C ATOM 1258 OE1 GLU B 24 1.656 5.944 23.554 1.00 18.12 O ATOM 1259 OE2 GLU B 24 1.800 6.520 21.467 1.00 16.75 O ATOM 1260 HA GLU B 24 -0.048 7.470 24.938 1.00 0.00 H ATOM 1261 HB2 GLU B 24 1.795 9.829 24.380 1.00 0.00 H ATOM 1262 HB3 GLU B 24 2.431 8.224 24.812 1.00 0.00 H ATOM 1263 HG2 GLU B 24 0.521 8.628 22.540 1.00 0.00 H ATOM 1264 HG3 GLU B 24 2.275 8.859 22.352 1.00 0.00 H ATOM 1265 H GLU B 24 -0.536 10.177 24.148 1.00 0.00 H ATOM 1266 N VAL B 25 1.034 7.473 27.234 1.00 17.89 N ATOM 1267 CA VAL B 25 1.565 7.528 28.570 1.00 17.84 C ATOM 1268 C VAL B 25 3.099 7.393 28.500 1.00 18.96 C ATOM 1269 O VAL B 25 3.628 6.427 27.961 1.00 19.23 O ATOM 1270 CB VAL B 25 0.952 6.476 29.469 1.00 17.95 C ATOM 1271 CG1 VAL B 25 1.652 6.505 30.840 1.00 16.52 C ATOM 1272 CG2 VAL B 25 -0.533 6.758 29.638 1.00 18.46 C ATOM 1273 HA VAL B 25 1.306 8.489 29.015 1.00 0.00 H ATOM 1274 HB VAL B 25 1.080 5.490 29.022 1.00 0.00 H ATOM 1275 HG11 VAL B 25 2.714 6.299 30.709 1.00 0.00 H ATOM 1276 HG12 VAL B 25 1.525 7.489 31.291 1.00 0.00 H ATOM 1277 HG13 VAL B 25 1.211 5.748 31.488 1.00 0.00 H ATOM 1278 HG21 VAL B 25 -0.666 7.743 30.086 1.00 0.00 H ATOM 1279 HG22 VAL B 25 -1.020 6.733 28.663 1.00 0.00 H ATOM 1280 HG23 VAL B 25 -0.974 6.000 30.285 1.00 0.00 H ATOM 1281 H VAL B 25 0.923 6.575 26.764 1.00 0.00 H ATOM 1282 N VAL B 26 3.777 8.398 29.050 1.00 18.25 N ATOM 1283 CA VAL B 26 5.217 8.577 28.901 1.00 18.89 C ATOM 1284 C VAL B 26 5.837 8.347 30.245 1.00 18.87 C ATOM 1285 O VAL B 26 5.340 8.871 31.220 1.00 18.25 O ATOM 1286 CB VAL B 26 5.482 10.029 28.465 1.00 19.12 C ATOM 1287 CG1 VAL B 26 6.984 10.394 28.504 1.00 18.71 C ATOM 1288 CG2 VAL B 26 4.892 10.215 27.045 1.00 19.39 C ATOM 1289 HA VAL B 26 5.630 7.889 28.163 1.00 0.00 H ATOM 1290 HB VAL B 26 4.999 10.708 29.168 1.00 0.00 H ATOM 1291 HG11 VAL B 26 7.359 10.274 29.520 1.00 0.00 H ATOM 1292 HG12 VAL B 26 7.534 9.735 27.832 1.00 0.00 H ATOM 1293 HG13 VAL B 26 7.113 11.429 28.187 1.00 0.00 H ATOM 1294 HG21 VAL B 26 5.375 9.520 26.358 1.00 0.00 H ATOM 1295 HG22 VAL B 26 3.820 10.017 27.069 1.00 0.00 H ATOM 1296 HG23 VAL B 26 5.067 11.238 26.712 1.00 0.00 H ATOM 1297 H VAL B 26 3.261 9.080 29.606 1.00 0.00 H ATOM 1298 N GLU B 27 6.933 7.613 30.270 1.00 19.33 N ATOM 1299 CA GLU B 27 7.685 7.389 31.492 1.00 20.58 C ATOM 1300 C GLU B 27 8.692 8.549 31.611 1.00 21.08 C ATOM 1301 O GLU B 27 9.467 8.785 30.678 1.00 19.69 O ATOM 1302 CB GLU B 27 8.338 5.985 31.406 1.00 21.41 C ATOM 1303 CG GLU B 27 9.118 5.566 32.652 1.00 22.59 C ATOM 1304 CD GLU B 27 9.877 4.241 32.537 1.00 24.32 C ATOM 1305 OE1 GLU B 27 9.627 3.403 31.658 1.00 25.50 O ATOM 1306 OE2 GLU B 27 10.777 4.040 33.368 1.00 31.37 O ATOM 1307 HA GLU B 27 7.072 7.387 32.394 1.00 0.00 H ATOM 1308 HB2 GLU B 27 7.548 5.253 31.237 1.00 0.00 H ATOM 1309 HB3 GLU B 27 9.023 5.980 30.558 1.00 0.00 H ATOM 1310 HG2 GLU B 27 9.841 6.350 32.876 1.00 0.00 H ATOM 1311 HG3 GLU B 27 8.412 5.479 33.478 1.00 0.00 H ATOM 1312 H GLU B 27 7.263 7.189 29.403 1.00 0.00 H ATOM 1313 N VAL B 28 8.632 9.318 32.715 1.00 20.83 N ATOM 1314 CA VAL B 28 9.457 10.539 32.847 1.00 21.52 C ATOM 1315 C VAL B 28 10.709 10.161 33.644 1.00 23.23 C ATOM 1316 O VAL B 28 10.605 9.775 34.827 1.00 24.02 O ATOM 1317 CB VAL B 28 8.732 11.748 33.538 1.00 21.64 C ATOM 1318 CG1 VAL B 28 9.676 13.005 33.652 1.00 19.34 C ATOM 1319 CG2 VAL B 28 7.416 12.133 32.847 1.00 20.44 C ATOM 1320 HA VAL B 28 9.690 10.888 31.841 1.00 0.00 H ATOM 1321 HB VAL B 28 8.482 11.406 34.542 1.00 0.00 H ATOM 1322 HG11 VAL B 28 10.554 12.746 34.244 1.00 0.00 H ATOM 1323 HG12 VAL B 28 9.988 13.315 32.655 1.00 0.00 H ATOM 1324 HG13 VAL B 28 9.137 13.820 34.136 1.00 0.00 H ATOM 1325 HG21 VAL B 28 7.618 12.414 31.814 1.00 0.00 H ATOM 1326 HG22 VAL B 28 6.735 11.283 32.866 1.00 0.00 H ATOM 1327 HG23 VAL B 28 6.964 12.974 33.372 1.00 0.00 H ATOM 1328 H VAL B 28 8.005 9.053 33.475 1.00 0.00 H ATOM 1329 N LEU B 29 11.865 10.235 32.996 1.00 23.88 N ATOM 1330 CA LEU B 29 13.131 9.847 33.612 1.00 25.11 C ATOM 1331 C LEU B 29 13.807 11.023 34.331 1.00 25.52 C ATOM 1332 O LEU B 29 14.536 10.809 35.306 1.00 26.34 O ATOM 1333 CB LEU B 29 14.061 9.230 32.580 1.00 26.60 C ATOM 1334 CG LEU B 29 13.604 8.012 31.802 1.00 27.69 C ATOM 1335 CD1 LEU B 29 14.749 7.574 30.953 1.00 30.57 C ATOM 1336 CD2 LEU B 29 13.149 6.858 32.739 1.00 30.93 C ATOM 1337 HA LEU B 29 12.909 9.096 34.371 1.00 0.00 H ATOM 1338 HB2 LEU B 29 14.287 10.007 31.850 1.00 0.00 H ATOM 1339 HB3 LEU B 29 14.975 8.949 33.103 1.00 0.00 H ATOM 1340 HG LEU B 29 12.738 8.271 31.193 1.00 0.00 H ATOM 1341 HD21 LEU B 29 13.981 6.561 33.378 1.00 0.00 H ATOM 1342 HD22 LEU B 29 12.318 7.199 33.356 1.00 0.00 H ATOM 1343 HD23 LEU B 29 12.830 6.007 32.137 1.00 0.00 H ATOM 1344 HD11 LEU B 29 15.026 8.381 30.274 1.00 0.00 H ATOM 1345 HD12 LEU B 29 15.598 7.326 31.590 1.00 0.00 H ATOM 1346 HD13 LEU B 29 14.457 6.696 30.376 1.00 0.00 H ATOM 1347 H LEU B 29 11.869 10.575 32.034 1.00 0.00 H ATOM 1348 N ASP B 30 13.572 12.247 33.854 1.00 24.69 N ATOM 1349 CA ASP B 30 14.142 13.458 34.456 1.00 25.07 C ATOM 1350 C ASP B 30 13.203 14.645 34.260 1.00 25.01 C ATOM 1351 O ASP B 30 12.935 15.045 33.118 1.00 25.69 O ATOM 1352 CB ASP B 30 15.522 13.714 33.822 1.00 25.60 C ATOM 1353 CG ASP B 30 16.346 14.740 34.571 1.00 28.53 C ATOM 1354 OD1 ASP B 30 15.788 15.582 35.303 1.00 29.98 O ATOM 1355 OD2 ASP B 30 17.572 14.781 34.441 1.00 32.96 O ATOM 1356 HA ASP B 30 14.264 13.324 35.531 1.00 0.00 H ATOM 1357 HB2 ASP B 30 16.074 12.774 33.803 1.00 0.00 H ATOM 1358 HB3 ASP B 30 15.374 14.067 32.802 1.00 0.00 H ATOM 1359 H ASP B 30 12.971 12.345 33.036 1.00 0.00 H ATOM 1360 N SER B 31 12.709 15.209 35.364 1.00 25.07 N ATOM 1361 CA SER B 31 11.783 16.338 35.343 1.00 25.58 C ATOM 1362 C SER B 31 12.390 17.580 35.987 1.00 26.15 C ATOM 1363 O SER B 31 11.667 18.508 36.382 1.00 27.26 O ATOM 1364 CB SER B 31 10.477 15.986 36.061 1.00 26.29 C ATOM 1365 OG SER B 31 10.704 15.538 37.408 1.00 29.44 O ATOM 1366 HA SER B 31 11.576 16.556 34.295 1.00 0.00 H ATOM 1367 HB2 SER B 31 9.973 15.194 35.507 1.00 0.00 H ATOM 1368 HB3 SER B 31 9.840 16.870 36.087 1.00 0.00 H ATOM 1369 HG SER B 31 11.259 14.755 37.394 1.00 0.00 H ATOM 1370 H SER B 31 12.993 14.832 36.268 1.00 0.00 H ATOM 1371 N SER B 32 13.715 17.631 36.076 1.00 26.11 N ATOM 1372 CA SER B 32 14.333 18.752 36.812 1.00 25.84 C ATOM 1373 C SER B 32 14.478 20.003 35.986 1.00 25.65 C ATOM 1374 O SER B 32 14.494 21.127 36.532 1.00 26.08 O ATOM 1375 CB SER B 32 15.675 18.352 37.417 1.00 26.00 C ATOM 1376 OG SER B 32 16.563 17.827 36.447 1.00 29.05 O ATOM 1377 HA SER B 32 13.641 18.989 37.620 1.00 0.00 H ATOM 1378 HB2 SER B 32 15.504 17.595 38.183 1.00 0.00 H ATOM 1379 HB3 SER B 32 16.131 19.231 37.872 1.00 0.00 H ATOM 1380 HG SER B 32 16.172 17.048 36.045 1.00 0.00 H ATOM 1381 H SER B 32 14.293 16.910 35.645 1.00 0.00 H ATOM 1382 N ASN B 33 14.598 19.824 34.668 1.00 23.65 N ATOM 1383 CA ASN B 33 14.612 20.937 33.739 1.00 22.78 C ATOM 1384 C ASN B 33 13.192 21.445 33.588 1.00 21.71 C ATOM 1385 O ASN B 33 12.258 20.672 33.441 1.00 22.66 O ATOM 1386 CB ASN B 33 15.227 20.531 32.383 1.00 22.54 C ATOM 1387 CG ASN B 33 15.422 21.706 31.442 1.00 23.62 C ATOM 1388 OD1 ASN B 33 14.455 22.258 30.903 1.00 23.12 O ATOM 1389 ND2 ASN B 33 16.690 22.106 31.222 1.00 24.05 N ATOM 1390 HA ASN B 33 15.242 21.737 34.127 1.00 0.00 H ATOM 1391 HB2 ASN B 33 16.197 20.068 32.566 1.00 0.00 H ATOM 1392 HB3 ASN B 33 14.566 19.809 31.904 1.00 0.00 H ATOM 1393 HD22 ASN B 33 17.463 21.627 31.684 1.00 0.00 H ATOM 1394 HD21 ASN B 33 16.876 22.888 30.594 1.00 0.00 H ATOM 1395 H ASN B 33 14.682 18.875 34.304 1.00 0.00 H ATOM 1396 N PRO B 34 13.007 22.744 33.672 1.00 21.71 N ATOM 1397 CA PRO B 34 11.652 23.305 33.666 1.00 21.92 C ATOM 1398 C PRO B 34 10.987 23.348 32.279 1.00 21.65 C ATOM 1399 O PRO B 34 9.764 23.489 32.175 1.00 23.33 O ATOM 1400 CB PRO B 34 11.882 24.740 34.173 1.00 22.64 C ATOM 1401 CG PRO B 34 13.225 25.075 33.801 1.00 22.77 C ATOM 1402 CD PRO B 34 14.038 23.789 33.872 1.00 23.16 C ATOM 1403 HA PRO B 34 10.976 22.695 34.265 1.00 0.00 H ATOM 1404 HD3 PRO B 34 14.791 23.755 33.085 1.00 0.00 H ATOM 1405 HD2 PRO B 34 14.523 23.683 34.842 1.00 0.00 H ATOM 1406 HG3 PRO B 34 13.632 25.815 34.491 1.00 0.00 H ATOM 1407 HG2 PRO B 34 13.245 25.476 32.788 1.00 0.00 H ATOM 1408 HB2 PRO B 34 11.176 25.426 33.705 1.00 0.00 H ATOM 1409 HB3 PRO B 34 11.766 24.784 35.256 1.00 0.00 H ATOM 1410 N SER B 35 11.802 23.248 31.239 1.00 21.59 N ATOM 1411 CA SER B 35 11.376 23.456 29.871 1.00 20.70 C ATOM 1412 C SER B 35 11.274 22.145 29.106 1.00 19.83 C ATOM 1413 O SER B 35 10.270 21.894 28.428 1.00 18.54 O ATOM 1414 CB SER B 35 12.347 24.388 29.186 1.00 22.75 C ATOM 1415 OG SER B 35 12.207 25.726 29.703 1.00 27.69 O ATOM 1416 HA SER B 35 10.381 23.900 29.884 1.00 0.00 H ATOM 1417 HB2 SER B 35 12.146 24.393 28.115 1.00 0.00 H ATOM 1418 HB3 SER B 35 13.365 24.039 29.361 1.00 0.00 H ATOM 1419 HG SER B 35 12.387 25.724 30.646 1.00 0.00 H ATOM 1420 H SER B 35 12.779 23.012 31.411 1.00 0.00 H ATOM 1421 N TRP B 36 12.310 21.314 29.224 1.00 17.67 N ATOM 1422 CA TRP B 36 12.357 20.067 28.494 1.00 17.69 C ATOM 1423 C TRP B 36 12.666 18.880 29.396 1.00 17.56 C ATOM 1424 O TRP B 36 13.708 18.859 30.054 1.00 18.38 O ATOM 1425 CB TRP B 36 13.412 20.190 27.391 1.00 16.92 C ATOM 1426 CG TRP B 36 13.006 21.069 26.221 1.00 16.25 C ATOM 1427 CD1 TRP B 36 13.079 22.411 26.164 1.00 15.03 C ATOM 1428 CD2 TRP B 36 12.501 20.641 24.950 1.00 15.97 C ATOM 1429 NE1 TRP B 36 12.650 22.871 24.936 1.00 17.55 N ATOM 1430 CE2 TRP B 36 12.293 21.799 24.168 1.00 16.43 C ATOM 1431 CE3 TRP B 36 12.227 19.393 24.380 1.00 15.14 C ATOM 1432 CZ2 TRP B 36 11.818 21.745 22.858 1.00 15.96 C ATOM 1433 CZ3 TRP B 36 11.734 19.335 23.074 1.00 16.85 C ATOM 1434 CH2 TRP B 36 11.560 20.491 22.330 1.00 13.27 C ATOM 1435 HA TRP B 36 11.374 19.880 28.063 1.00 0.00 H ATOM 1436 HB2 TRP B 36 14.317 20.607 27.832 1.00 0.00 H ATOM 1437 HB3 TRP B 36 13.622 19.191 27.009 1.00 0.00 H ATOM 1438 HE1 TRP B 36 12.607 23.849 24.649 1.00 0.00 H ATOM 1439 HD1 TRP B 36 13.429 23.048 26.977 1.00 0.00 H ATOM 1440 HZ2 TRP B 36 11.657 22.651 22.274 1.00 0.00 H ATOM 1441 HH2 TRP B 36 11.210 20.411 21.301 1.00 0.00 H ATOM 1442 HZ3 TRP B 36 11.483 18.369 22.635 1.00 0.00 H ATOM 1443 HE3 TRP B 36 12.396 18.478 24.947 1.00 0.00 H ATOM 1444 H TRP B 36 13.084 21.563 29.841 1.00 0.00 H ATOM 1445 N TRP B 37 11.772 17.884 29.427 1.00 17.08 N ATOM 1446 CA TRP B 37 11.961 16.699 30.237 1.00 17.06 C ATOM 1447 C TRP B 37 12.565 15.567 29.420 1.00 16.02 C ATOM 1448 O TRP B 37 12.483 15.560 28.185 1.00 16.59 O ATOM 1449 CB TRP B 37 10.621 16.254 30.850 1.00 16.28 C ATOM 1450 CG TRP B 37 10.156 17.221 31.949 1.00 18.27 C ATOM 1451 CD1 TRP B 37 10.849 18.284 32.478 1.00 18.59 C ATOM 1452 CD2 TRP B 37 8.927 17.146 32.668 1.00 19.78 C ATOM 1453 NE1 TRP B 37 10.103 18.895 33.459 1.00 21.55 N ATOM 1454 CE2 TRP B 37 8.922 18.208 33.609 1.00 21.96 C ATOM 1455 CE3 TRP B 37 7.806 16.289 32.602 1.00 20.67 C ATOM 1456 CZ2 TRP B 37 7.831 18.458 34.469 1.00 23.40 C ATOM 1457 CZ3 TRP B 37 6.718 16.534 33.464 1.00 22.38 C ATOM 1458 CH2 TRP B 37 6.745 17.611 34.387 1.00 23.29 C ATOM 1459 HA TRP B 37 12.655 16.946 31.040 1.00 0.00 H ATOM 1460 HB2 TRP B 37 9.866 16.220 30.065 1.00 0.00 H ATOM 1461 HB3 TRP B 37 10.741 15.260 31.280 1.00 0.00 H ATOM 1462 HE1 TRP B 37 10.381 19.722 33.988 1.00 0.00 H ATOM 1463 HD1 TRP B 37 11.845 18.597 32.165 1.00 0.00 H ATOM 1464 HZ2 TRP B 37 7.846 19.290 35.173 1.00 0.00 H ATOM 1465 HH2 TRP B 37 5.891 17.773 35.044 1.00 0.00 H ATOM 1466 HZ3 TRP B 37 5.843 15.886 33.421 1.00 0.00 H ATOM 1467 HE3 TRP B 37 7.783 15.456 31.899 1.00 0.00 H ATOM 1468 H TRP B 37 10.928 17.963 28.860 1.00 0.00 H ATOM 1469 N THR B 38 13.136 14.601 30.116 1.00 16.39 N ATOM 1470 CA THR B 38 13.628 13.360 29.508 1.00 17.48 C ATOM 1471 C THR B 38 12.663 12.206 29.795 1.00 17.96 C ATOM 1472 O THR B 38 12.261 11.957 30.946 1.00 19.96 O ATOM 1473 CB THR B 38 15.042 12.997 30.044 1.00 17.91 C ATOM 1474 OG1 THR B 38 15.965 14.032 29.694 1.00 20.65 O ATOM 1475 CG2 THR B 38 15.617 11.738 29.353 1.00 17.54 C ATOM 1476 HA THR B 38 13.692 13.520 28.432 1.00 0.00 H ATOM 1477 HB THR B 38 14.930 12.849 31.118 1.00 0.00 H ATOM 1478 HG1 THR B 38 16.837 13.807 30.025 1.00 0.00 H ATOM 1479 HG23 THR B 38 14.974 10.884 29.564 1.00 0.00 H ATOM 1480 HG21 THR B 38 15.661 11.904 28.277 1.00 0.00 H ATOM 1481 HG22 THR B 38 16.620 11.542 29.733 1.00 0.00 H ATOM 1482 H THR B 38 13.240 14.723 31.123 1.00 0.00 H ATOM 1483 N GLY B 39 12.294 11.513 28.736 1.00 17.50 N ATOM 1484 CA GLY B 39 11.269 10.511 28.813 1.00 16.63 C ATOM 1485 C GLY B 39 11.628 9.228 28.091 1.00 17.31 C ATOM 1486 O GLY B 39 12.606 9.154 27.319 1.00 17.22 O ATOM 1487 HA3 GLY B 39 10.358 10.914 28.371 1.00 0.00 H ATOM 1488 HA2 GLY B 39 11.090 10.279 29.863 1.00 0.00 H ATOM 1489 H GLY B 39 12.748 11.693 27.840 1.00 0.00 H ATOM 1490 N ARG B 40 10.821 8.197 28.361 1.00 17.47 N ATOM 1491 CA ARG B 40 10.939 6.920 27.715 1.00 16.46 C ATOM 1492 C ARG B 40 9.561 6.529 27.212 1.00 16.86 C ATOM 1493 O ARG B 40 8.568 6.616 27.921 1.00 17.61 O ATOM 1494 CB ARG B 40 11.447 5.854 28.703 1.00 17.70 C ATOM 1495 CG ARG B 40 11.403 4.456 28.114 1.00 16.80 C ATOM 1496 CD ARG B 40 12.027 3.430 29.052 1.00 19.67 C ATOM 1497 NE ARG B 40 11.956 2.071 28.554 1.00 19.90 N ATOM 1498 CZ ARG B 40 12.575 1.060 29.158 1.00 24.67 C ATOM 1499 NH1 ARG B 40 13.317 1.300 30.249 1.00 25.24 N ATOM 1500 NH2 ARG B 40 12.466 -0.166 28.696 1.00 25.15 N ATOM 1501 HA ARG B 40 11.652 6.986 26.893 1.00 0.00 H ATOM 1502 HB2 ARG B 40 12.476 6.089 28.974 1.00 0.00 H ATOM 1503 HB3 ARG B 40 10.823 5.878 29.597 1.00 0.00 H ATOM 1504 HG2 ARG B 40 10.364 4.182 27.931 1.00 0.00 H ATOM 1505 HG3 ARG B 40 11.950 4.452 27.171 1.00 0.00 H ATOM 1506 HD2 ARG B 40 11.506 3.475 30.008 1.00 0.00 H ATOM 1507 HD3 ARG B 40 13.075 3.689 29.199 1.00 0.00 H ATOM 1508 HE ARG B 40 11.413 1.883 27.711 1.00 0.00 H ATOM 1509 HH12 ARG B 40 13.796 0.532 30.719 1.00 0.00 H ATOM 1510 HH11 ARG B 40 13.403 2.251 30.608 1.00 0.00 H ATOM 1511 HH22 ARG B 40 12.945 -0.933 29.167 1.00 0.00 H ATOM 1512 HH21 ARG B 40 11.902 -0.350 27.866 1.00 0.00 H ATOM 1513 H ARG B 40 10.087 8.323 29.058 1.00 0.00 H ATOM 1514 N LEU B 41 9.519 6.117 25.974 1.00 16.02 N ATOM 1515 CA LEU B 41 8.273 5.755 25.329 1.00 15.83 C ATOM 1516 C LEU B 41 8.610 4.759 24.268 1.00 15.00 C ATOM 1517 O LEU B 41 9.488 4.989 23.461 1.00 15.55 O ATOM 1518 CB LEU B 41 7.606 7.004 24.727 1.00 15.34 C ATOM 1519 CG LEU B 41 6.263 6.728 24.037 1.00 16.85 C ATOM 1520 CD1 LEU B 41 5.174 6.209 24.975 1.00 15.48 C ATOM 1521 CD2 LEU B 41 5.785 8.011 23.322 1.00 16.90 C ATOM 1522 HA LEU B 41 7.567 5.327 26.040 1.00 0.00 H ATOM 1523 HB2 LEU B 41 7.437 7.722 25.529 1.00 0.00 H ATOM 1524 HB3 LEU B 41 8.286 7.435 23.992 1.00 0.00 H ATOM 1525 HG LEU B 41 6.439 5.926 23.320 1.00 0.00 H ATOM 1526 HD21 LEU B 41 5.663 8.809 24.054 1.00 0.00 H ATOM 1527 HD22 LEU B 41 6.524 8.308 22.578 1.00 0.00 H ATOM 1528 HD23 LEU B 41 4.831 7.818 22.831 1.00 0.00 H ATOM 1529 HD11 LEU B 41 5.501 5.273 25.427 1.00 0.00 H ATOM 1530 HD12 LEU B 41 4.988 6.946 25.757 1.00 0.00 H ATOM 1531 HD13 LEU B 41 4.258 6.040 24.408 1.00 0.00 H ATOM 1532 H LEU B 41 10.389 6.048 25.445 1.00 0.00 H ATOM 1533 N HIS B 42 7.912 3.629 24.294 1.00 15.79 N ATOM 1534 CA HIS B 42 8.075 2.542 23.322 1.00 15.78 C ATOM 1535 C HIS B 42 9.535 2.096 23.264 1.00 15.57 C ATOM 1536 O HIS B 42 10.049 1.845 22.201 1.00 17.20 O ATOM 1537 CB HIS B 42 7.662 2.959 21.916 1.00 15.73 C ATOM 1538 CG HIS B 42 6.305 3.576 21.828 1.00 16.70 C ATOM 1539 ND1 HIS B 42 6.080 4.689 21.068 1.00 16.79 N ATOM 1540 CD2 HIS B 42 5.099 3.197 22.311 1.00 14.93 C ATOM 1541 CE1 HIS B 42 4.802 5.027 21.147 1.00 17.28 C ATOM 1542 NE2 HIS B 42 4.182 4.129 21.880 1.00 17.54 N ATOM 1543 HA HIS B 42 7.430 1.730 23.657 1.00 0.00 H ATOM 1544 HB2 HIS B 42 8.390 3.682 21.547 1.00 0.00 H ATOM 1545 HB3 HIS B 42 7.676 2.074 21.280 1.00 0.00 H ATOM 1546 HD2 HIS B 42 4.893 2.320 22.925 1.00 0.00 H ATOM 1547 HE1 HIS B 42 4.343 5.900 20.684 1.00 0.00 H ATOM 1548 H HIS B 42 7.221 3.510 25.035 1.00 0.00 H ATOM 1549 N ASN B 43 10.184 2.035 24.423 1.00 17.15 N ATOM 1550 CA ASN B 43 11.584 1.648 24.540 1.00 17.42 C ATOM 1551 C ASN B 43 12.553 2.568 23.786 1.00 18.04 C ATOM 1552 O ASN B 43 13.644 2.129 23.374 1.00 18.29 O ATOM 1553 CB ASN B 43 11.790 0.206 24.119 1.00 19.30 C ATOM 1554 CG ASN B 43 10.998 -0.754 24.981 1.00 17.98 C ATOM 1555 OD1 ASN B 43 11.076 -0.712 26.195 1.00 23.03 O ATOM 1556 ND2 ASN B 43 10.214 -1.603 24.341 1.00 23.13 N ATOM 1557 HA ASN B 43 11.825 1.755 25.598 1.00 0.00 H ATOM 1558 HB2 ASN B 43 11.473 0.093 23.082 1.00 0.00 H ATOM 1559 HB3 ASN B 43 12.849 -0.038 24.202 1.00 0.00 H ATOM 1560 HD22 ASN B 43 10.183 -1.600 23.321 1.00 0.00 H ATOM 1561 HD21 ASN B 43 9.639 -2.262 24.866 1.00 0.00 H ATOM 1562 H ASN B 43 9.675 2.272 25.275 1.00 0.00 H ATOM 1563 N LYS B 44 12.116 3.802 23.577 1.00 16.60 N ATOM 1564 CA LYS B 44 12.991 4.868 23.027 1.00 17.04 C ATOM 1565 C LYS B 44 13.164 5.935 24.083 1.00 17.05 C ATOM 1566 O LYS B 44 12.254 6.150 24.861 1.00 16.64 O ATOM 1567 CB LYS B 44 12.300 5.549 21.844 1.00 18.83 C ATOM 1568 CG LYS B 44 11.854 4.617 20.724 1.00 21.79 C ATOM 1569 CD LYS B 44 13.046 4.105 19.961 1.00 28.65 C ATOM 1570 CE LYS B 44 12.614 3.098 18.899 1.00 34.62 C ATOM 1571 NZ LYS B 44 13.779 2.241 18.478 1.00 34.98 N ATOM 1572 HA LYS B 44 13.939 4.424 22.724 1.00 0.00 H ATOM 1573 HB2 LYS B 44 11.419 6.067 22.222 1.00 0.00 H ATOM 1574 HB3 LYS B 44 12.994 6.275 21.421 1.00 0.00 H ATOM 1575 HG2 LYS B 44 11.312 3.774 21.152 1.00 0.00 H ATOM 1576 HG3 LYS B 44 11.198 5.161 20.044 1.00 0.00 H ATOM 1577 HD2 LYS B 44 13.548 4.943 19.477 1.00 0.00 H ATOM 1578 HD3 LYS B 44 13.734 3.621 20.654 1.00 0.00 H ATOM 1579 HE2 LYS B 44 12.231 3.634 18.031 1.00 0.00 H ATOM 1580 HE3 LYS B 44 11.829 2.461 19.307 1.00 0.00 H ATOM 1581 HZ1 LYS B 44 14.514 2.834 18.093 1.00 0.00 H ATOM 1582 HZ2 LYS B 44 14.138 1.735 19.288 1.00 0.00 H ATOM 1583 HZ3 LYS B 44 13.471 1.575 17.769 1.00 0.00 H ATOM 1584 H LYS B 44 11.147 4.027 23.801 1.00 0.00 H ATOM 1585 N LEU B 45 14.294 6.656 24.056 1.00 16.95 N ATOM 1586 CA LEU B 45 14.573 7.725 25.004 1.00 17.09 C ATOM 1587 C LEU B 45 14.625 9.061 24.237 1.00 17.29 C ATOM 1588 O LEU B 45 15.086 9.092 23.099 1.00 18.17 O ATOM 1589 CB LEU B 45 15.962 7.530 25.594 1.00 18.44 C ATOM 1590 CG LEU B 45 16.157 6.357 26.527 1.00 24.42 C ATOM 1591 CD1 LEU B 45 17.664 6.189 26.753 1.00 26.19 C ATOM 1592 CD2 LEU B 45 15.416 6.593 27.860 1.00 27.16 C ATOM 1593 HA LEU B 45 13.805 7.721 25.778 1.00 0.00 H ATOM 1594 HB2 LEU B 45 16.657 7.408 24.763 1.00 0.00 H ATOM 1595 HB3 LEU B 45 16.214 8.435 26.147 1.00 0.00 H ATOM 1596 HG LEU B 45 15.742 5.448 26.090 1.00 0.00 H ATOM 1597 HD21 LEU B 45 15.806 7.492 28.337 1.00 0.00 H ATOM 1598 HD22 LEU B 45 14.351 6.716 27.665 1.00 0.00 H ATOM 1599 HD23 LEU B 45 15.570 5.736 28.516 1.00 0.00 H ATOM 1600 HD11 LEU B 45 18.155 6.001 25.798 1.00 0.00 H ATOM 1601 HD12 LEU B 45 18.067 7.099 27.197 1.00 0.00 H ATOM 1602 HD13 LEU B 45 17.838 5.348 27.424 1.00 0.00 H ATOM 1603 H LEU B 45 14.989 6.446 23.340 1.00 0.00 H ATOM 1604 N GLY B 46 14.198 10.151 24.855 1.00 16.66 N ATOM 1605 CA GLY B 46 14.367 11.441 24.215 1.00 16.35 C ATOM 1606 C GLY B 46 13.838 12.596 25.043 1.00 16.96 C ATOM 1607 O GLY B 46 13.279 12.373 26.136 1.00 16.11 O ATOM 1608 HA3 GLY B 46 13.837 11.427 23.262 1.00 0.00 H ATOM 1609 HA2 GLY B 46 15.430 11.602 24.036 1.00 0.00 H ATOM 1610 H GLY B 46 13.755 10.084 25.771 1.00 0.00 H ATOM 1611 N LEU B 47 14.066 13.800 24.523 1.00 15.33 N ATOM 1612 CA LEU B 47 13.601 15.050 25.134 1.00 15.24 C ATOM 1613 C LEU B 47 12.229 15.408 24.628 1.00 14.73 C ATOM 1614 O LEU B 47 11.895 15.162 23.440 1.00 15.31 O ATOM 1615 CB LEU B 47 14.600 16.195 24.799 1.00 14.20 C ATOM 1616 CG LEU B 47 15.982 16.010 25.413 1.00 15.79 C ATOM 1617 CD1 LEU B 47 16.970 16.934 24.667 1.00 16.17 C ATOM 1618 CD2 LEU B 47 15.985 16.320 26.917 1.00 17.56 C ATOM 1619 HA LEU B 47 13.548 14.914 26.214 1.00 0.00 H ATOM 1620 HB2 LEU B 47 14.710 16.248 23.716 1.00 0.00 H ATOM 1621 HB3 LEU B 47 14.184 17.133 25.167 1.00 0.00 H ATOM 1622 HG LEU B 47 16.282 14.968 25.307 1.00 0.00 H ATOM 1623 HD21 LEU B 47 15.676 17.353 27.074 1.00 0.00 H ATOM 1624 HD22 LEU B 47 15.292 15.651 27.426 1.00 0.00 H ATOM 1625 HD23 LEU B 47 16.990 16.175 27.314 1.00 0.00 H ATOM 1626 HD11 LEU B 47 16.990 16.665 23.611 1.00 0.00 H ATOM 1627 HD12 LEU B 47 16.648 17.970 24.774 1.00 0.00 H ATOM 1628 HD13 LEU B 47 17.967 16.817 25.092 1.00 0.00 H ATOM 1629 H LEU B 47 14.593 13.857 23.652 1.00 0.00 H ATOM 1630 N PHE B 48 11.413 16.001 25.485 1.00 13.99 N ATOM 1631 CA PHE B 48 10.128 16.557 24.993 1.00 13.50 C ATOM 1632 C PHE B 48 9.758 17.767 25.858 1.00 14.28 C ATOM 1633 O PHE B 48 10.267 17.902 26.953 1.00 14.45 O ATOM 1634 CB PHE B 48 9.013 15.480 25.081 1.00 13.10 C ATOM 1635 CG PHE B 48 8.758 14.994 26.508 1.00 13.56 C ATOM 1636 CD1 PHE B 48 7.846 15.661 27.327 1.00 14.64 C ATOM 1637 CD2 PHE B 48 9.438 13.879 27.003 1.00 14.32 C ATOM 1638 CE1 PHE B 48 7.601 15.224 28.655 1.00 15.99 C ATOM 1639 CE2 PHE B 48 9.213 13.408 28.333 1.00 15.71 C ATOM 1640 CZ PHE B 48 8.280 14.099 29.164 1.00 13.72 C ATOM 1641 HA PHE B 48 10.230 16.862 23.952 1.00 0.00 H ATOM 1642 HB2 PHE B 48 8.089 15.904 24.689 1.00 0.00 H ATOM 1643 HB3 PHE B 48 9.307 14.626 24.471 1.00 0.00 H ATOM 1644 HD2 PHE B 48 10.152 13.360 26.364 1.00 0.00 H ATOM 1645 HE2 PHE B 48 9.746 12.534 28.708 1.00 0.00 H ATOM 1646 HZ PHE B 48 8.095 13.759 30.183 1.00 0.00 H ATOM 1647 HE1 PHE B 48 6.887 15.759 29.281 1.00 0.00 H ATOM 1648 HD1 PHE B 48 7.314 16.531 26.941 1.00 0.00 H ATOM 1649 H PHE B 48 11.664 16.075 26.471 1.00 0.00 H ATOM 1650 N PRO B 49 8.878 18.663 25.402 1.00 14.08 N ATOM 1651 CA PRO B 49 8.528 19.801 26.249 1.00 14.38 C ATOM 1652 C PRO B 49 7.686 19.390 27.461 1.00 15.34 C ATOM 1653 O PRO B 49 6.659 18.707 27.340 1.00 15.13 O ATOM 1654 CB PRO B 49 7.769 20.744 25.296 1.00 14.44 C ATOM 1655 CG PRO B 49 8.054 20.195 23.857 1.00 13.84 C ATOM 1656 CD PRO B 49 8.215 18.692 24.086 1.00 13.32 C ATOM 1657 HA PRO B 49 9.403 20.275 26.693 1.00 0.00 H ATOM 1658 HD3 PRO B 49 7.249 18.188 24.116 1.00 0.00 H ATOM 1659 HD2 PRO B 49 8.838 18.236 23.316 1.00 0.00 H ATOM 1660 HG3 PRO B 49 8.966 20.629 23.446 1.00 0.00 H ATOM 1661 HG2 PRO B 49 7.220 20.402 23.186 1.00 0.00 H ATOM 1662 HB2 PRO B 49 6.700 20.722 25.508 1.00 0.00 H ATOM 1663 HB3 PRO B 49 8.137 21.765 25.395 1.00 0.00 H ATOM 1664 N ALA B 50 8.109 19.859 28.640 1.00 15.77 N ATOM 1665 CA ALA B 50 7.463 19.536 29.907 1.00 16.68 C ATOM 1666 C ALA B 50 5.971 19.885 29.876 1.00 16.28 C ATOM 1667 O ALA B 50 5.151 19.136 30.407 1.00 16.58 O ATOM 1668 CB ALA B 50 8.171 20.303 31.053 1.00 16.21 C ATOM 1669 HA ALA B 50 7.547 18.463 30.077 1.00 0.00 H ATOM 1670 HB1 ALA B 50 9.220 20.009 31.092 1.00 0.00 H ATOM 1671 HB2 ALA B 50 8.100 21.375 30.869 1.00 0.00 H ATOM 1672 HB3 ALA B 50 7.690 20.063 32.001 1.00 0.00 H ATOM 1673 H ALA B 50 8.924 20.473 28.654 1.00 0.00 H ATOM 1674 N ASN B 51 5.618 20.986 29.209 1.00 17.33 N ATOM 1675 CA ASN B 51 4.218 21.387 29.198 1.00 17.25 C ATOM 1676 C ASN B 51 3.313 20.665 28.241 1.00 15.71 C ATOM 1677 O ASN B 51 2.127 21.002 28.157 1.00 15.34 O ATOM 1678 CB ASN B 51 4.020 22.883 29.085 1.00 17.75 C ATOM 1679 CG ASN B 51 4.697 23.499 27.924 1.00 22.62 C ATOM 1680 OD1 ASN B 51 5.038 22.845 26.923 1.00 24.98 O ATOM 1681 ND2 ASN B 51 4.885 24.826 28.026 1.00 26.24 N ATOM 1682 HA ASN B 51 3.898 21.060 30.187 1.00 0.00 H ATOM 1683 HB2 ASN B 51 2.951 23.081 29.002 1.00 0.00 H ATOM 1684 HB3 ASN B 51 4.406 23.348 29.992 1.00 0.00 H ATOM 1685 HD22 ASN B 51 4.588 25.320 28.868 1.00 0.00 H ATOM 1686 HD21 ASN B 51 5.324 25.339 27.262 1.00 0.00 H ATOM 1687 H ASN B 51 6.318 21.538 28.714 1.00 0.00 H ATOM 1688 N TYR B 52 3.865 19.689 27.524 1.00 15.78 N ATOM 1689 CA TYR B 52 3.062 18.847 26.666 1.00 14.86 C ATOM 1690 C TYR B 52 2.443 17.667 27.396 1.00 15.34 C ATOM 1691 O TYR B 52 1.691 16.895 26.818 1.00 15.53 O ATOM 1692 CB TYR B 52 3.884 18.365 25.446 1.00 13.06 C ATOM 1693 CG TYR B 52 3.727 19.331 24.317 1.00 13.26 C ATOM 1694 CD1 TYR B 52 4.228 20.636 24.405 1.00 14.33 C ATOM 1695 CD2 TYR B 52 3.071 18.947 23.151 1.00 15.41 C ATOM 1696 CE1 TYR B 52 4.067 21.562 23.362 1.00 16.71 C ATOM 1697 CE2 TYR B 52 2.888 19.854 22.103 1.00 13.81 C ATOM 1698 CZ TYR B 52 3.402 21.141 22.188 1.00 15.46 C ATOM 1699 OH TYR B 52 3.194 22.010 21.152 1.00 18.94 O ATOM 1700 HA TYR B 52 2.234 19.464 26.317 1.00 0.00 H ATOM 1701 HB3 TYR B 52 3.528 17.383 25.135 1.00 0.00 H ATOM 1702 HB2 TYR B 52 4.936 18.298 25.722 1.00 0.00 H ATOM 1703 HD2 TYR B 52 2.696 17.928 23.054 1.00 0.00 H ATOM 1704 HE2 TYR B 52 2.338 19.549 21.213 1.00 0.00 H ATOM 1705 HE1 TYR B 52 4.445 22.580 23.455 1.00 0.00 H ATOM 1706 HD1 TYR B 52 4.757 20.941 25.308 1.00 0.00 H ATOM 1707 HH TYR B 52 3.606 22.853 21.355 1.00 0.00 H ATOM 1708 H TYR B 52 4.871 19.532 27.581 1.00 0.00 H ATOM 1709 N VAL B 53 2.806 17.465 28.656 1.00 16.30 N ATOM 1710 CA VAL B 53 2.297 16.299 29.374 1.00 16.09 C ATOM 1711 C VAL B 53 1.690 16.677 30.727 1.00 17.51 C ATOM 1712 O VAL B 53 2.024 17.696 31.298 1.00 18.24 O ATOM 1713 CB VAL B 53 3.389 15.180 29.616 1.00 15.04 C ATOM 1714 CG1 VAL B 53 4.090 14.800 28.311 1.00 14.22 C ATOM 1715 CG2 VAL B 53 4.433 15.666 30.623 1.00 13.59 C ATOM 1716 HA VAL B 53 1.526 15.893 28.719 1.00 0.00 H ATOM 1717 HB VAL B 53 2.879 14.301 30.010 1.00 0.00 H ATOM 1718 HG11 VAL B 53 3.354 14.421 27.602 1.00 0.00 H ATOM 1719 HG12 VAL B 53 4.579 15.680 27.893 1.00 0.00 H ATOM 1720 HG13 VAL B 53 4.834 14.029 28.511 1.00 0.00 H ATOM 1721 HG21 VAL B 53 4.920 16.561 30.236 1.00 0.00 H ATOM 1722 HG22 VAL B 53 3.943 15.897 31.569 1.00 0.00 H ATOM 1723 HG23 VAL B 53 5.177 14.885 30.779 1.00 0.00 H ATOM 1724 H VAL B 53 3.436 18.119 29.120 1.00 0.00 H ATOM 1725 N ALA B 54 0.800 15.818 31.217 1.00 19.45 N ATOM 1726 CA ALA B 54 0.151 16.026 32.506 1.00 21.10 C ATOM 1727 C ALA B 54 0.654 14.896 33.429 1.00 22.11 C ATOM 1728 O ALA B 54 0.343 13.733 33.158 1.00 22.57 O ATOM 1729 CB ALA B 54 -1.358 15.936 32.350 1.00 20.12 C ATOM 1730 HA ALA B 54 0.385 17.009 32.915 1.00 0.00 H ATOM 1731 HB1 ALA B 54 -1.696 16.701 31.651 1.00 0.00 H ATOM 1732 HB2 ALA B 54 -1.624 14.950 31.969 1.00 0.00 H ATOM 1733 HB3 ALA B 54 -1.832 16.093 33.319 1.00 0.00 H ATOM 1734 H ALA B 54 0.564 14.988 30.674 1.00 0.00 H ATOM 1735 N PRO B 55 1.442 15.192 34.464 1.00 23.68 N ATOM 1736 CA PRO B 55 1.906 14.136 35.371 1.00 24.89 C ATOM 1737 C PRO B 55 0.729 13.470 36.087 1.00 27.53 C ATOM 1738 O PRO B 55 -0.237 14.178 36.412 1.00 27.53 O ATOM 1739 CB PRO B 55 2.796 14.886 36.355 1.00 25.28 C ATOM 1740 CG PRO B 55 3.221 16.088 35.563 1.00 24.03 C ATOM 1741 CD PRO B 55 1.965 16.511 34.859 1.00 23.09 C ATOM 1742 HA PRO B 55 2.427 13.329 34.856 1.00 0.00 H ATOM 1743 HD3 PRO B 55 1.282 17.035 35.528 1.00 0.00 H ATOM 1744 HD2 PRO B 55 2.177 17.139 33.994 1.00 0.00 H ATOM 1745 HG3 PRO B 55 4.000 15.827 34.846 1.00 0.00 H ATOM 1746 HG2 PRO B 55 3.584 16.878 36.220 1.00 0.00 H ATOM 1747 HB2 PRO B 55 2.239 15.178 37.246 1.00 0.00 H ATOM 1748 HB3 PRO B 55 3.656 14.283 36.647 1.00 0.00 H ATOM 1749 N MET B 56 0.769 12.155 36.283 1.00 29.75 N ATOM 1750 CA MET B 56 -0.347 11.511 36.989 1.00 35.23 C ATOM 1751 C MET B 56 -0.157 11.368 38.496 1.00 37.17 C ATOM 1752 O MET B 56 0.961 11.503 39.015 1.00 38.72 O ATOM 1753 CB MET B 56 -0.752 10.165 36.389 1.00 34.82 C ATOM 1754 CG MET B 56 0.283 9.466 35.570 1.00 38.43 C ATOM 1755 SD MET B 56 -0.313 9.174 33.860 1.00 44.37 S ATOM 1756 CE MET B 56 -2.145 9.692 33.965 1.00 30.58 C ATOM 1757 HA MET B 56 -1.163 12.218 36.838 1.00 0.00 H ATOM 1758 HB2 MET B 56 -1.027 9.504 37.211 1.00 0.00 H ATOM 1759 HB3 MET B 56 -1.621 10.333 35.753 1.00 0.00 H ATOM 1760 HG2 MET B 56 0.517 8.508 36.034 1.00 0.00 H ATOM 1761 HG3 MET B 56 1.183 10.080 35.534 1.00 0.00 H ATOM 1762 HE1 MET B 56 -2.655 9.072 34.702 1.00 0.00 H ATOM 1763 HE2 MET B 56 -2.209 10.739 34.262 1.00 0.00 H ATOM 1764 HE3 MET B 56 -2.615 9.560 32.990 1.00 0.00 H ATOM 1765 H MET B 56 1.560 11.604 35.949 1.00 0.00 H ATOM 1766 N MET B 57 -1.287 11.126 39.164 1.00 40.77 N ATOM 1767 CA MET B 57 -1.424 10.744 40.587 1.00 42.96 C ATOM 1768 C MET B 57 -2.382 11.717 41.274 1.00 43.70 C ATOM 1769 O MET B 57 -2.591 12.845 40.790 1.00 45.22 O ATOM 1770 CB MET B 57 -0.087 10.689 41.331 1.00 43.35 C ATOM 1771 CG MET B 57 0.541 9.310 41.411 1.00 46.70 C ATOM 1772 SD MET B 57 1.571 9.184 42.897 1.00 55.36 S ATOM 1773 CE MET B 57 0.277 8.807 44.173 1.00 53.85 C ATOM 1774 HA MET B 57 -1.824 9.731 40.618 1.00 0.00 H ATOM 1775 HB2 MET B 57 0.613 11.351 40.821 1.00 0.00 H ATOM 1776 HB3 MET B 57 -0.249 11.047 42.348 1.00 0.00 H ATOM 1777 HG2 MET B 57 1.158 9.142 40.528 1.00 0.00 H ATOM 1778 HG3 MET B 57 -0.246 8.556 41.452 1.00 0.00 H ATOM 1779 HE1 MET B 57 -0.446 9.622 44.207 1.00 0.00 H ATOM 1780 HE2 MET B 57 -0.231 7.879 43.910 1.00 0.00 H ATOM 1781 HE3 MET B 57 0.751 8.699 45.149 1.00 0.00 H ATOM 1782 H MET B 57 -2.154 11.214 38.634 1.00 0.00 H TER 1783 MET B 57 HETATM 1784 O HOH 2 -17.100 -13.922 31.521 1.00 45.18 O HETATM 1785 O HOH 3 -0.473 -17.000 19.984 1.00 55.55 O HETATM 1786 O HOH 4 -2.579 -16.678 17.514 1.00 52.93 O HETATM 1787 O HOH 5 5.159 -20.727 25.816 1.00 58.70 O HETATM 1788 O HOH 6 -18.521 -3.294 36.934 1.00 52.23 O HETATM 1789 O HOH 7 -18.136 -0.718 36.755 1.00 51.70 O HETATM 1790 O HOH 8 0.542 -18.290 17.244 1.00 54.86 O HETATM 1791 O HOH 9 -17.533 -1.312 39.672 1.00 63.94 O HETATM 1792 O HOH 10 -18.288 -11.409 24.632 1.00 46.15 O HETATM 1793 O HOH 11 -18.042 -2.624 34.662 1.00 39.03 O HETATM 1794 O HOH 12 -3.312 -15.218 26.492 1.00 19.33 O HETATM 1795 O HOH 13 -2.581 -18.253 27.921 1.00 24.97 O HETATM 1796 O HOH 14 1.396 -20.637 22.552 1.00 46.36 O HETATM 1797 O HOH 15 2.053 -20.771 25.091 1.00 57.99 O HETATM 1798 O HOH 16 -2.695 -18.338 20.486 1.00 30.58 O HETATM 1799 O HOH 17 -5.952 -18.177 19.639 1.00 27.79 O HETATM 1800 O HOH 18 -8.199 -20.520 28.832 1.00 24.33 O HETATM 1801 O HOH 19 -6.197 -15.705 26.722 1.00 22.18 O HETATM 1802 O HOH 20 -14.182 -14.772 31.335 1.00 26.16 O HETATM 1803 O HOH 21 -8.169 -17.856 29.202 1.00 23.72 O HETATM 1804 O HOH 22 -16.062 -9.930 24.581 1.00 28.11 O HETATM 1805 O HOH 23 -18.023 -7.250 23.913 1.00 33.03 O HETATM 1806 O HOH 24 -18.248 -3.849 31.865 1.00 62.89 O HETATM 1807 O HOH 25 8.241 28.544 25.075 1.00 36.25 O HETATM 1808 O HOH 26 19.158 27.440 20.060 1.00 45.11 O HETATM 1809 O HOH 27 14.439 31.592 26.845 1.00 47.76 O HETATM 1810 O HOH 28 19.547 25.975 28.495 1.00 50.72 O HETATM 1811 O HOH 29 17.019 30.564 27.221 1.00 47.90 O HETATM 1812 O HOH 30 8.119 30.067 21.958 1.00 72.42 O HETATM 1813 O HOH 31 -1.387 22.976 17.638 1.00 35.56 O HETATM 1814 O HOH 32 -2.983 23.798 18.953 1.00 40.83 O HETATM 1815 O HOH 33 2.885 27.901 25.480 1.00 31.31 O HETATM 1816 O HOH 34 1.701 31.343 22.355 1.00 42.17 O HETATM 1817 O HOH 35 11.664 26.378 18.475 1.00 27.51 O HETATM 1818 O HOH 36 9.333 24.179 24.698 1.00 30.90 O HETATM 1819 O HOH 37 11.174 29.424 26.266 1.00 35.28 O HETATM 1820 O HOH 38 10.360 30.974 23.821 1.00 63.65 O HETATM 1821 O HOH 39 18.807 23.231 20.981 1.00 48.91 O HETATM 1822 O HOH 40 17.196 26.240 18.901 1.00 46.43 O HETATM 1823 O HOH 41 16.719 31.129 25.110 1.00 43.92 O HETATM 1824 O HOH 42 10.818 26.728 26.800 1.00 39.45 O HETATM 1825 O HOH 43 16.997 24.869 29.586 1.00 32.88 O HETATM 1826 O HOH 44 21.515 22.001 24.745 1.00 36.70 O HETATM 1827 O HOH 45 17.855 21.084 18.992 1.00 35.89 O HETATM 1828 O HOH 46 19.356 19.105 23.150 1.00 20.18 O HETATM 1829 O HOH 47 21.260 17.029 30.475 1.00 36.92 O HETATM 1830 O HOH 48 0.203 20.552 17.290 1.00 46.45 O HETATM 1831 O HOH 49 -6.688 20.048 23.007 1.00 24.98 O HETATM 1832 O HOH 50 6.822 13.732 36.538 1.00 39.91 O HETATM 1833 O HOH 51 18.077 10.111 9.662 1.00 51.40 O HETATM 1834 O HOH 52 21.622 13.777 19.338 1.00 50.91 O HETATM 1835 O HOH 53 18.366 7.827 11.786 1.00 44.01 O HETATM 1836 O HOH 54 3.898 10.110 38.298 1.00 39.97 O HETATM 1837 O HOH 55 4.252 10.495 16.936 1.00 45.19 O HETATM 1838 O HOH 56 -3.981 5.684 28.467 1.00 26.61 O HETATM 1839 O HOH 57 -3.989 11.513 32.756 1.00 60.34 O HETATM 1840 O HOH 58 1.653 7.372 17.569 1.00 47.20 O HETATM 1841 O HOH 59 -3.547 8.253 18.528 1.00 37.97 O HETATM 1842 O HOH 60 -1.632 7.600 19.460 1.00 39.31 O HETATM 1843 O HOH 61 -5.221 17.685 22.711 1.00 20.71 O HETATM 1844 O HOH 62 -2.992 21.902 28.415 1.00 33.10 O HETATM 1845 O HOH 63 6.012 15.718 38.035 1.00 37.12 O HETATM 1846 O HOH 64 11.249 16.606 41.335 1.00 41.64 O HETATM 1847 O HOH 65 16.634 15.734 39.938 1.00 56.25 O HETATM 1848 O HOH 66 2.554 20.284 18.748 1.00 23.89 O HETATM 1849 O HOH 67 -3.413 12.737 17.998 1.00 27.59 O HETATM 1850 O HOH 68 -2.231 17.934 19.225 1.00 36.77 O HETATM 1851 O HOH 69 18.375 17.273 30.997 1.00 44.96 O HETATM 1852 O HOH 70 12.290 28.278 32.515 1.00 48.86 O HETATM 1853 O HOH 71 3.824 19.007 14.723 1.00 22.34 O HETATM 1854 O HOH 72 7.657 19.837 16.893 1.00 19.42 O HETATM 1855 O HOH 73 4.869 19.295 17.290 1.00 16.68 O HETATM 1856 O HOH 74 15.326 4.065 33.955 1.00 44.32 O HETATM 1857 O HOH 75 9.088 13.050 13.683 1.00 38.61 O HETATM 1858 O HOH 76 7.411 12.437 16.189 1.00 18.65 O HETATM 1859 O HOH 77 14.001 18.588 11.528 1.00 39.84 O HETATM 1860 O HOH 78 18.919 16.104 15.147 1.00 27.33 O HETATM 1861 O HOH 79 13.679 12.288 14.830 1.00 47.44 O HETATM 1862 O HOH 80 19.950 10.867 20.501 1.00 47.49 O HETATM 1863 O HOH 81 15.438 9.518 17.429 1.00 48.83 O HETATM 1864 O HOH 82 15.651 8.582 12.545 1.00 49.36 O HETATM 1865 O HOH 83 -4.033 11.474 36.525 1.00 50.18 O HETATM 1866 O HOH 84 20.237 18.303 19.536 1.00 32.63 O HETATM 1867 O HOH 85 19.570 15.787 18.141 1.00 27.46 O HETATM 1868 O HOH 86 21.302 15.919 22.958 1.00 18.46 O HETATM 1869 O HOH 87 13.523 11.366 17.594 1.00 27.35 O HETATM 1870 O HOH 88 5.580 7.843 19.675 1.00 22.21 O HETATM 1871 O HOH 89 10.655 10.171 18.472 1.00 33.64 O HETATM 1872 O HOH 90 8.927 8.843 20.156 1.00 30.77 O HETATM 1873 O HOH 91 3.205 13.386 16.807 1.00 47.84 O HETATM 1874 O HOH 92 -6.634 13.495 22.257 1.00 36.93 O HETATM 1875 O HOH 93 -2.175 8.182 21.786 1.00 20.68 O HETATM 1876 O HOH 94 -4.893 14.893 19.584 1.00 37.36 O HETATM 1877 O HOH 95 -4.107 10.845 19.678 1.00 30.88 O HETATM 1878 O HOH 96 -2.105 5.582 26.048 1.00 15.87 O HETATM 1879 O HOH 97 2.741 8.254 19.873 1.00 22.82 O HETATM 1880 O HOH 98 1.886 4.072 20.053 1.00 21.80 O HETATM 1881 O HOH 99 0.481 4.790 26.118 1.00 17.82 O HETATM 1882 O HOH 100 6.092 5.070 28.480 1.00 28.45 O HETATM 1883 O HOH 101 15.494 8.767 36.417 1.00 38.78 O HETATM 1884 O HOH 102 17.268 11.813 37.303 1.00 44.68 O HETATM 1885 O HOH 103 13.359 13.378 37.887 1.00 45.11 O HETATM 1886 O HOH 104 10.310 20.661 36.337 1.00 38.35 O HETATM 1887 O HOH 105 11.097 12.229 37.107 1.00 60.44 O HETATM 1888 O HOH 106 8.498 17.682 38.297 1.00 50.39 O HETATM 1889 O HOH 107 13.370 15.492 39.427 1.00 45.77 O HETATM 1890 O HOH 108 18.551 21.447 33.619 1.00 46.82 O HETATM 1891 O HOH 109 14.431 17.568 33.070 1.00 25.25 O HETATM 1892 O HOH 110 7.857 23.048 28.419 1.00 22.18 O HETATM 1893 O HOH 111 14.201 27.119 30.965 1.00 37.84 O HETATM 1894 O HOH 112 15.591 16.829 30.575 1.00 24.73 O HETATM 1895 O HOH 113 18.598 13.813 30.204 1.00 30.26 O HETATM 1896 O HOH 114 13.794 -1.497 31.389 1.00 33.93 O HETATM 1897 O HOH 115 13.293 3.095 32.258 1.00 33.76 O HETATM 1898 O HOH 116 8.705 6.254 20.987 1.00 29.06 O HETATM 1899 O HOH 117 6.066 2.782 18.121 1.00 43.95 O HETATM 1900 O HOH 118 9.091 -4.145 25.244 1.00 46.36 O HETATM 1901 O HOH 119 16.058 2.975 22.232 1.00 15.75 O HETATM 1902 O HOH 120 9.315 1.976 27.111 1.00 21.56 O HETATM 1903 O HOH 121 10.060 -1.576 21.256 1.00 40.59 O HETATM 1904 O HOH 122 16.431 3.457 18.060 1.00 46.87 O HETATM 1905 O HOH 123 13.867 0.643 20.684 1.00 47.25 O HETATM 1906 O HOH 124 13.435 9.032 20.633 1.00 35.71 O HETATM 1907 O HOH 125 16.913 10.150 21.294 1.00 32.38 O HETATM 1908 O HOH 126 3.808 19.160 32.772 1.00 26.66 O HETATM 1909 O HOH 127 5.287 26.754 26.232 1.00 29.31 O HETATM 1910 O HOH 128 0.005 22.687 28.318 1.00 28.86 O HETATM 1911 O HOH 129 6.506 23.739 25.196 1.00 23.62 O HETATM 1912 O HOH 130 -2.487 12.840 34.113 1.00 35.90 O HETATM 1913 O HOH 131 2.960 13.218 39.722 1.00 32.77 O HETATM 1914 O HOH 132 -4.200 14.516 41.778 1.00 34.31 O HETATM 1915 O HOH 133 -3.361 13.486 43.510 1.00 47.53 O HETATM 1916 O HOH 134 -3.224 8.317 42.032 1.00 54.54 O HETATM 1917 O HOH 135 -8.693 -7.218 43.560 1.00 42.89 O HETATM 1918 O HOH 136 -6.210 -7.644 40.037 1.00 41.50 O HETATM 1919 O HOH 137 2.659 -11.234 17.019 1.00 45.68 O HETATM 1920 O HOH 138 -11.169 -2.620 42.651 1.00 39.63 O HETATM 1921 O HOH 139 3.752 -0.809 35.605 1.00 45.63 O HETATM 1922 O HOH 140 8.540 -5.375 31.463 1.00 29.16 O HETATM 1923 O HOH 141 10.671 -3.245 11.688 1.00 36.17 O HETATM 1924 O HOH 142 -15.469 -5.477 37.524 1.00 41.91 O HETATM 1925 O HOH 143 -11.914 -5.634 43.080 1.00 39.08 O HETATM 1926 O HOH 144 -16.070 -7.685 40.292 1.00 30.50 O HETATM 1927 O HOH 145 -4.000 1.463 42.879 1.00 63.43 O HETATM 1928 O HOH 146 -13.543 0.401 43.263 1.00 66.70 O HETATM 1929 O HOH 147 -10.133 4.197 35.968 1.00 59.00 O HETATM 1930 O HOH 148 -7.673 -10.255 41.211 1.00 36.11 O HETATM 1931 O HOH 149 2.776 -1.164 38.301 1.00 37.26 O HETATM 1932 O HOH 150 9.472 -8.567 31.668 1.00 52.57 O HETATM 1933 O HOH 151 -4.151 4.154 40.424 1.00 45.93 O HETATM 1934 O HOH 152 -12.727 -0.496 45.685 1.00 45.63 O HETATM 1935 O HOH 153 -6.841 5.820 40.366 1.00 59.10 O HETATM 1936 O HOH 154 -1.264 3.894 40.716 1.00 45.09 O HETATM 1937 O HOH 155 -5.442 7.551 43.388 1.00 56.06 O HETATM 1938 O HOH 156 -10.760 0.734 41.632 1.00 41.86 O HETATM 1939 O HOH 157 -1.416 -0.714 39.231 1.00 47.37 O HETATM 1940 O HOH 158 -6.254 2.608 36.291 1.00 28.99 O HETATM 1941 O HOH 159 -7.126 -0.133 42.843 1.00 34.90 O HETATM 1942 O HOH 160 -18.208 -2.278 16.171 1.00 65.97 O HETATM 1943 O HOH 161 -15.853 -13.403 22.436 1.00 37.19 O HETATM 1944 O HOH 162 -4.452 6.829 36.919 1.00 53.64 O HETATM 1945 O HOH 163 -0.460 -2.548 17.558 1.00 43.29 O HETATM 1946 O HOH 164 -1.063 -1.265 15.277 1.00 66.04 O HETATM 1947 O HOH 165 1.200 -1.962 13.108 1.00 54.86 O HETATM 1948 O HOH 166 8.705 -1.703 12.939 1.00 50.63 O HETATM 1949 O HOH 167 3.294 0.101 33.655 1.00 19.07 O HETATM 1950 O HOH 168 7.957 3.437 28.888 1.00 19.50 O HETATM 1951 O HOH 169 6.041 -0.859 33.892 1.00 30.40 O HETATM 1952 O HOH 170 9.689 -1.483 30.570 1.00 31.35 O HETATM 1953 O HOH 171 8.874 -0.797 28.022 1.00 34.30 O HETATM 1954 O HOH 172 0.874 0.273 16.787 1.00 55.29 O HETATM 1955 O HOH 173 7.919 -4.971 28.286 1.00 37.40 O HETATM 1956 O HOH 174 8.716 -8.913 24.144 1.00 32.14 O HETATM 1957 O HOH 175 7.259 -13.241 30.152 1.00 41.64 O HETATM 1958 O HOH 176 -4.828 -9.609 39.603 1.00 51.56 O HETATM 1959 O HOH 177 5.949 -9.872 20.705 1.00 25.94 O HETATM 1960 O HOH 178 7.073 -5.109 19.343 1.00 41.98 O HETATM 1961 O HOH 179 2.489 -11.830 19.831 1.00 30.20 O HETATM 1962 O HOH 180 -2.182 -13.317 34.456 1.00 30.05 O HETATM 1963 O HOH 181 -2.626 -11.652 37.603 1.00 59.52 O HETATM 1964 O HOH 182 -2.508 -14.236 36.950 1.00 45.03 O HETATM 1965 O HOH 183 -4.214 -11.853 18.290 1.00 20.23 O HETATM 1966 O HOH 184 -1.552 -11.329 19.141 1.00 18.82 O HETATM 1967 O HOH 185 0.543 -8.058 16.596 1.00 34.06 O HETATM 1968 O HOH 186 -12.389 6.520 19.774 1.00 29.24 O HETATM 1969 O HOH 187 -11.755 5.185 30.892 1.00 66.02 O HETATM 1970 O HOH 188 -5.656 3.427 18.718 1.00 40.70 O HETATM 1971 O HOH 189 -11.649 5.809 34.430 1.00 46.00 O HETATM 1972 O HOH 190 -3.808 -4.571 17.071 1.00 23.09 O HETATM 1973 O HOH 191 -16.375 -2.409 21.104 1.00 39.29 O HETATM 1974 O HOH 192 -10.156 8.107 16.541 1.00 50.60 O HETATM 1975 O HOH 193 -17.076 -10.082 19.144 1.00 22.20 O HETATM 1976 O HOH 194 -12.991 -13.825 18.002 1.00 24.36 O HETATM 1977 O HOH 195 -16.204 -12.411 19.914 1.00 45.84 O HETATM 1978 O HOH 196 -16.555 -0.622 18.975 1.00 42.09 O HETATM 1979 O HOH 197 3.123 -10.220 35.860 1.00 29.84 O HETATM 1980 O HOH 198 -16.148 -6.756 18.624 1.00 30.00 O HETATM 1981 O HOH 199 -9.461 -3.052 17.959 1.00 36.25 O HETATM 1982 O HOH 200 -1.748 0.212 19.804 1.00 29.23 O HETATM 1983 O HOH 201 -5.254 -0.457 20.642 1.00 24.72 O HETATM 1984 O HOH 202 -6.829 -2.029 19.013 1.00 27.40 O HETATM 1985 O HOH 203 0.559 -5.467 17.766 1.00 41.94 O HETATM 1986 O HOH 204 7.272 -1.258 16.012 1.00 64.46 O HETATM 1987 O HOH 205 2.557 -0.906 14.958 1.00 57.51 O HETATM 1988 O HOH 206 8.424 -7.900 20.819 1.00 44.73 O HETATM 1989 O HOH 207 10.290 -4.853 22.725 1.00 37.00 O HETATM 1990 O HOH 208 6.086 -0.065 22.321 1.00 27.64 O HETATM 1991 O HOH 209 5.807 2.849 26.180 1.00 14.91 O HETATM 1992 O HOH 210 3.198 3.636 26.056 1.00 19.07 O HETATM 1993 O HOH 211 1.087 -0.179 20.298 1.00 25.73 O HETATM 1994 O HOH 212 -2.266 3.765 28.276 1.00 25.72 O HETATM 1995 O HOH 213 -11.050 -7.463 34.288 1.00 20.92 O HETATM 1996 O HOH 214 -14.548 -7.635 32.904 1.00 62.15 O HETATM 1997 O HOH 215 -6.590 -10.616 37.484 1.00 31.43 O HETATM 1998 O HOH 216 -5.513 -17.058 34.725 1.00 38.57 O HETATM 1999 O HOH 217 -4.775 -12.631 35.764 1.00 26.90 O HETATM 2000 O HOH 218 -4.059 -15.065 32.885 1.00 28.48 O HETATM 2001 O HOH 219 -4.644 -14.090 30.398 1.00 15.65 O HETATM 2002 O HOH 220 -7.950 -17.316 33.334 1.00 37.19 O HETATM 2003 O HOH 221 -12.194 -16.364 32.475 1.00 21.98 O HETATM 2004 O HOH 222 -12.072 -7.194 31.670 1.00 25.47 O HETATM 2005 O HOH 223 -10.100 8.791 26.696 1.00 61.32 O HETATM 2006 O HOH 224 -9.415 6.550 32.218 1.00 34.79 O HETATM 2007 O HOH 225 -5.237 2.220 20.993 1.00 26.87 O HETATM 2008 O HOH 226 -6.514 10.078 20.709 1.00 34.88 O HETATM 2009 O HOH 227 -12.337 5.691 22.363 1.00 17.20 O HETATM 2010 O HOH 228 -5.285 7.027 26.705 1.00 18.16 O HETATM 2011 O HOH 229 -7.846 9.197 18.613 1.00 43.93 O HETATM 2012 O HOH 230 -5.845 6.989 18.900 1.00 41.07 O HETATM 2013 O HOH 231 -13.730 -1.130 21.996 1.00 35.10 O HETATM 2014 O HOH 232 -9.971 -0.883 20.905 1.00 31.73 O HETATM 2015 O HOH 233 -0.961 -10.242 34.214 1.00 34.99 O HETATM 2016 O HOH 234 -0.720 -17.269 32.082 1.00 27.78 O HETATM 2017 O HOH 235 -5.007 -16.658 28.817 1.00 22.38 O HETATM 2018 O HOH 236 2.460 -13.224 31.654 1.00 26.26 O HETATM 2019 O HOH 237 0.089 -13.550 20.091 1.00 25.96 O HETATM 2020 O HOH 238 2.170 -11.329 33.610 1.00 28.37 O HETATM 2021 O HOH 239 7.053 -2.267 37.686 1.00 42.72 O HETATM 2022 N NON A 240 -2.229 23.641 21.846 1.00 0.24 N HETATM 2023 CA NON A 240 -0.830 23.152 22.151 1.00 0.06 C HETATM 2024 C NON A 240 0.109 24.297 22.570 1.00 0.23 C HETATM 2025 O NON A 240 0.084 25.362 21.948 1.00 -0.39 O HETATM 2026 N NON A 240 0.963 24.070 23.578 1.00 -0.25 N HETATM 2027 CA NON A 240 1.924 25.099 23.994 1.00 0.13 C HETATM 2028 C NON A 240 2.990 25.377 22.926 1.00 0.20 C HETATM 2029 O NON A 240 3.320 24.520 22.110 1.00 -0.39 O HETATM 2030 N NON A 240 3.522 26.591 22.975 1.00 -0.26 N HETATM 2031 CA NON A 240 4.651 26.996 22.139 1.00 0.15 C HETATM 2032 C NON A 240 5.817 26.083 22.389 1.00 0.21 C HETATM 2033 O NON A 240 5.999 25.588 23.503 1.00 -0.39 O HETATM 2034 N NON A 240 6.583 25.798 21.339 1.00 -0.26 N HETATM 2035 CA NON A 240 7.797 24.999 21.483 1.00 0.13 C HETATM 2036 C NON A 240 9.014 25.884 21.284 1.00 0.20 C HETATM 2037 O NON A 240 9.175 26.487 20.215 1.00 -0.39 O HETATM 2038 N NON A 240 9.878 25.931 22.296 1.00 -0.26 N HETATM 2039 CA NON A 240 11.146 26.644 22.185 1.00 0.14 C HETATM 2040 C NON A 240 12.357 25.716 22.335 1.00 0.21 C HETATM 2041 O NON A 240 12.753 25.389 23.445 1.00 -0.39 O HETATM 2042 N NON A 240 12.937 25.320 21.201 1.00 -0.26 N HETATM 2043 CA NON A 240 14.110 24.427 21.180 1.00 0.13 C HETATM 2044 C NON A 240 15.381 25.076 21.724 1.00 0.20 C HETATM 2045 O NON A 240 16.302 24.367 22.149 1.00 -0.39 O HETATM 2046 N NON A 240 15.427 26.415 21.768 1.00 -0.26 N HETATM 2047 CA NON A 240 16.575 27.114 22.395 1.00 0.15 C HETATM 2048 C NON A 240 16.816 26.785 23.903 1.00 0.21 C HETATM 2049 O NON A 240 17.939 26.931 24.404 1.00 -0.39 O HETATM 2050 N NON A 240 15.783 26.330 24.609 1.00 -0.26 N HETATM 2051 CA NON A 240 15.919 25.944 26.019 1.00 0.16 C HETATM 2052 C NON A 240 16.199 24.450 26.220 1.00 0.21 C HETATM 2053 O NON A 240 16.281 23.968 27.354 1.00 -0.39 O HETATM 2054 N NON A 240 16.373 23.724 25.123 1.00 -0.26 N HETATM 2055 CA NON A 240 16.658 22.300 25.229 1.00 0.13 C HETATM 2056 C NON A 240 18.017 22.046 25.885 1.00 0.21 C HETATM 2057 O NON A 240 19.033 22.609 25.413 1.00 -0.39 O HETATM 2058 N NON A 240 18.051 21.205 26.931 1.00 -0.25 N HETATM 2059 CA NON A 240 19.337 20.731 27.471 1.00 0.13 C HETATM 2060 C NON A 240 19.849 19.570 26.621 1.00 0.21 C HETATM 2061 O NON A 240 19.086 19.064 25.763 1.00 -0.39 O HETATM 2062 N NON A 240 21.122 19.178 26.772 1.00 -0.25 N HETATM 2063 CA NON A 240 21.596 17.970 26.097 1.00 0.13 C HETATM 2064 C NON A 240 20.841 16.750 26.617 1.00 0.20 C HETATM 2065 O NON A 240 20.453 16.698 27.793 1.00 -0.39 O HETATM 2066 N NON A 240 20.613 15.772 25.752 1.00 -0.27 N HETATM 2067 CA NON A 240 20.044 14.520 26.230 1.00 0.09 C HETATM 2068 C NON A 240 21.124 13.732 26.960 1.00 0.06 C HETATM 2069 O NON A 240 22.035 13.285 26.230 1.00 -0.57 O HETATM 2070 OXT NON A 240 20.994 13.592 28.208 1.00 -0.57 O HETATM 2071 CB NON A 240 19.467 13.700 25.076 1.00 -0.02 C HETATM 2072 CG NON A 240 18.937 12.278 25.341 1.00 -0.04 C HETATM 2073 CD1 NON A 240 17.839 12.307 26.386 1.00 -0.06 C HETATM 2074 H92 NON A 240 17.473 11.285 26.562 1.00 0.02 H HETATM 2075 H93 NON A 240 17.010 12.937 26.030 1.00 0.02 H HETATM 2076 H94 NON A 240 18.237 12.721 27.324 1.00 0.02 H HETATM 2077 CD2 NON A 240 18.463 11.680 24.018 1.00 -0.06 C HETATM 2078 H95 NON A 240 19.293 11.682 23.297 1.00 0.02 H HETATM 2079 H96 NON A 240 17.631 12.281 23.621 1.00 0.02 H HETATM 2080 H97 NON A 240 18.123 10.647 24.183 1.00 0.02 H HETATM 2081 H91 NON A 240 19.760 11.659 25.728 1.00 0.03 H HETATM 2082 H89 NON A 240 20.262 13.609 24.321 1.00 0.03 H HETATM 2083 H90 NON A 240 18.630 14.280 24.660 1.00 0.03 H HETATM 2084 H88 NON A 240 19.231 14.747 26.936 1.00 0.07 H HETATM 2085 H87 NON A 240 20.829 15.893 24.783 1.00 0.19 H HETATM 2086 CB NON A 240 23.076 17.868 26.502 1.00 -0.01 C HETATM 2087 CG NON A 240 23.464 19.197 27.008 1.00 -0.03 C HETATM 2088 CD NON A 240 22.186 19.839 27.560 1.00 0.04 C HETATM 2089 H85 NON A 240 22.070 19.632 28.634 1.00 0.05 H HETATM 2090 H86 NON A 240 22.185 20.926 27.394 1.00 0.05 H HETATM 2091 H83 NON A 240 23.876 19.809 26.192 1.00 0.03 H HETATM 2092 H84 NON A 240 24.215 19.096 27.806 1.00 0.03 H HETATM 2093 H81 NON A 240 23.691 17.599 25.631 1.00 0.03 H HETATM 2094 H82 NON A 240 23.203 17.110 27.289 1.00 0.03 H HETATM 2095 H80 NON A 240 21.483 18.051 25.006 1.00 0.08 H HETATM 2096 CB NON A 240 18.983 20.274 28.887 1.00 -0.01 C HETATM 2097 CG NON A 240 17.492 19.726 28.729 1.00 -0.03 C HETATM 2098 CD NON A 240 16.896 20.583 27.629 1.00 0.04 C HETATM 2099 H78 NON A 240 16.316 19.962 26.931 1.00 0.05 H HETATM 2100 H79 NON A 240 16.244 21.359 28.058 1.00 0.05 H HETATM 2101 H76 NON A 240 16.930 19.848 29.667 1.00 0.03 H HETATM 2102 H77 NON A 240 17.495 18.665 28.439 1.00 0.03 H HETATM 2103 H74 NON A 240 19.021 21.115 29.595 1.00 0.03 H HETATM 2104 H75 NON A 240 19.662 19.478 29.226 1.00 0.03 H HETATM 2105 H73 NON A 240 20.085 21.537 27.492 1.00 0.08 H HETATM 2106 CB NON A 240 16.705 21.703 23.836 1.00 -0.01 C HETATM 2107 CG NON A 240 15.407 21.141 23.411 1.00 -0.04 C HETATM 2108 CD NON A 240 15.451 20.700 21.955 1.00 -0.01 C HETATM 2109 CE NON A 240 16.325 19.477 21.784 1.00 -0.04 C HETATM 2110 NZ NON A 240 16.351 19.024 20.366 1.00 0.22 N HETATM 2111 H70 NON A 240 16.940 18.210 20.284 1.00 0.20 H HETATM 2112 H71 NON A 240 16.715 19.762 19.784 1.00 0.20 H HETATM 2113 H72 NON A 240 15.416 18.793 20.070 1.00 0.20 H HETATM 2114 H68 NON A 240 15.931 18.665 22.412 1.00 0.08 H HETATM 2115 H69 NON A 240 17.350 19.722 22.101 1.00 0.08 H HETATM 2116 H66 NON A 240 15.856 21.520 21.343 1.00 0.03 H HETATM 2117 H67 NON A 240 14.431 20.462 21.620 1.00 0.03 H HETATM 2118 H64 NON A 240 14.627 21.907 23.531 1.00 0.03 H HETATM 2119 H65 NON A 240 15.168 20.273 24.042 1.00 0.03 H HETATM 2120 H62 NON A 240 17.457 20.900 23.823 1.00 0.03 H HETATM 2121 H63 NON A 240 16.997 22.491 23.126 1.00 0.03 H HETATM 2122 H61 NON A 240 15.868 21.815 25.821 1.00 0.08 H HETATM 2123 H60 NON A 240 16.308 24.155 24.223 1.00 0.19 H HETATM 2124 CB NON A 240 14.677 26.324 26.831 1.00 0.09 C HETATM 2125 OG1 NON A 240 13.529 25.688 26.249 1.00 -0.39 O HETATM 2126 H56 NON A 240 12.754 25.919 26.747 1.00 0.21 H HETATM 2127 CG2 NON A 240 14.405 27.799 26.726 1.00 -0.03 C HETATM 2128 H57 NON A 240 13.511 28.050 27.315 1.00 0.03 H HETATM 2129 H58 NON A 240 14.237 28.067 25.672 1.00 0.03 H HETATM 2130 H59 NON A 240 15.268 28.360 27.113 1.00 0.03 H HETATM 2131 H55 NON A 240 14.807 26.025 27.881 1.00 0.06 H HETATM 2132 H54 NON A 240 16.776 26.502 26.426 1.00 0.08 H HETATM 2133 H53 NON A 240 14.890 26.249 24.167 1.00 0.19 H HETATM 2134 CB NON A 240 16.499 28.637 22.159 1.00 0.08 C HETATM 2135 OG NON A 240 15.660 29.282 23.111 1.00 -0.39 O HETATM 2136 H52 NON A 240 14.781 28.927 23.049 1.00 0.21 H HETATM 2137 H50 NON A 240 16.099 28.821 21.151 1.00 0.06 H HETATM 2138 H51 NON A 240 17.512 29.059 22.234 1.00 0.06 H HETATM 2139 H49 NON A 240 17.470 26.758 21.864 1.00 0.08 H HETATM 2140 H48 NON A 240 14.679 26.949 21.374 1.00 0.19 H HETATM 2141 CB NON A 240 14.362 23.850 19.769 1.00 -0.01 C HETATM 2142 CG NON A 240 13.250 22.957 19.219 1.00 -0.02 C HETATM 2143 CD NON A 240 13.662 22.013 18.095 1.00 0.06 C HETATM 2144 NE NON A 240 12.718 20.884 18.066 1.00 -0.27 N HETATM 2145 CZ NON A 240 11.443 21.008 17.757 1.00 0.29 C HETATM 2146 NH1 NON A 240 10.971 22.199 17.396 1.00 -0.28 N HETATM 2147 H44 NON A 240 9.976 22.306 17.153 1.00 0.26 H HETATM 2148 H45 NON A 240 11.601 23.013 17.360 1.00 0.26 H HETATM 2149 NH2 NON A 240 10.619 19.965 17.847 1.00 -0.28 N HETATM 2150 H46 NON A 240 10.984 19.043 18.126 1.00 0.26 H HETATM 2151 H47 NON A 240 9.617 20.081 17.637 1.00 0.26 H HETATM 2152 H43 NON A 240 13.073 19.946 18.300 1.00 0.26 H HETATM 2153 H41 NON A 240 14.681 21.641 18.277 1.00 0.07 H HETATM 2154 H42 NON A 240 13.633 22.546 17.133 1.00 0.07 H HETATM 2155 H39 NON A 240 12.449 23.608 18.838 1.00 0.03 H HETATM 2156 H40 NON A 240 12.863 22.347 20.049 1.00 0.03 H HETATM 2157 H37 NON A 240 15.287 23.257 19.805 1.00 0.03 H HETATM 2158 H38 NON A 240 14.494 24.694 19.076 1.00 0.03 H HETATM 2159 H36 NON A 240 13.874 23.581 21.842 1.00 0.08 H HETATM 2160 H35 NON A 240 12.562 25.641 20.331 1.00 0.19 H HETATM 2161 CB NON A 240 11.228 27.746 23.213 1.00 0.04 C HETATM 2162 CG NON A 240 12.451 28.619 23.035 1.00 0.04 C HETATM 2163 OD1 NON A 240 13.209 28.444 22.058 1.00 -0.57 O HETATM 2164 OD2 NON A 240 12.726 29.538 23.833 1.00 -0.57 O HETATM 2165 H33 NON A 240 11.262 27.292 24.214 1.00 0.05 H HETATM 2166 H34 NON A 240 10.330 28.376 23.127 1.00 0.05 H HETATM 2167 H32 NON A 240 11.188 27.099 21.184 1.00 0.08 H HETATM 2168 H31 NON A 240 9.652 25.467 23.152 1.00 0.19 H HETATM 2169 CB NON A 240 7.808 23.804 20.495 1.00 -0.00 C HETATM 2170 CG1 NON A 240 6.642 22.835 20.782 1.00 -0.05 C HETATM 2171 CD1 NON A 240 6.436 21.773 19.645 1.00 -0.06 C HETATM 2172 H28 NON A 240 5.595 21.114 19.907 1.00 0.02 H HETATM 2173 H29 NON A 240 7.351 21.172 19.534 1.00 0.02 H HETATM 2174 H30 NON A 240 6.218 22.288 18.698 1.00 0.02 H HETATM 2175 H23 NON A 240 5.717 23.421 20.887 1.00 0.03 H HETATM 2176 H24 NON A 240 6.849 22.305 21.724 1.00 0.03 H HETATM 2177 CG2 NON A 240 9.093 23.038 20.585 1.00 -0.06 C HETATM 2178 H25 NON A 240 9.937 23.713 20.383 1.00 0.02 H HETATM 2179 H26 NON A 240 9.088 22.225 19.844 1.00 0.02 H HETATM 2180 H27 NON A 240 9.197 22.613 21.594 1.00 0.02 H HETATM 2181 H22 NON A 240 7.700 24.198 19.474 1.00 0.03 H HETATM 2182 H21 NON A 240 7.826 24.595 22.506 1.00 0.08 H HETATM 2183 H20 NON A 240 6.323 26.137 20.435 1.00 0.19 H HETATM 2184 CB NON A 240 5.031 28.454 22.470 1.00 0.08 C HETATM 2185 OG NON A 240 4.021 29.298 21.925 1.00 -0.39 O HETATM 2186 H19 NON A 240 4.231 30.205 22.115 1.00 0.21 H HETATM 2187 H17 NON A 240 6.005 28.698 22.022 1.00 0.06 H HETATM 2188 H18 NON A 240 5.084 28.589 23.560 1.00 0.06 H HETATM 2189 H16 NON A 240 4.362 26.929 21.080 1.00 0.08 H HETATM 2190 H15 NON A 240 3.134 27.258 23.611 1.00 0.19 H HETATM 2191 CB NON A 240 2.600 24.494 25.225 1.00 -0.01 C HETATM 2192 CG NON A 240 1.707 23.365 25.660 1.00 -0.03 C HETATM 2193 CD NON A 240 1.049 22.852 24.421 1.00 0.04 C HETATM 2194 H13 NON A 240 1.661 22.076 23.938 1.00 0.05 H HETATM 2195 H14 NON A 240 0.050 22.448 24.640 1.00 0.05 H HETATM 2196 H11 NON A 240 0.950 23.729 26.370 1.00 0.03 H HETATM 2197 H12 NON A 240 2.301 22.570 26.133 1.00 0.03 H HETATM 2198 H9 NON A 240 2.687 25.245 26.024 1.00 0.03 H HETATM 2199 H10 NON A 240 3.600 24.116 24.967 1.00 0.03 H HETATM 2200 H8 NON A 240 1.402 26.034 24.245 1.00 0.08 H HETATM 2201 CB NON A 240 -0.233 22.420 20.944 1.00 -0.00 C HETATM 2202 H5 NON A 240 0.782 22.075 21.190 1.00 0.03 H HETATM 2203 H6 NON A 240 -0.189 23.105 20.085 1.00 0.03 H HETATM 2204 H7 NON A 240 -0.863 21.555 20.691 1.00 0.03 H HETATM 2205 H4 NON A 240 -0.897 22.442 22.988 1.00 0.11 H HETATM 2206 H1 NON A 240 -2.807 22.860 21.577 1.00 0.20 H HETATM 2207 H2 NON A 240 -2.195 24.309 21.092 1.00 0.20 H HETATM 2208 H3 NON A 240 -2.618 24.080 22.666 1.00 0.20 H CONECT 920 921 943 944 945 CONECT 943 920 CONECT 944 920 CONECT 945 920 CONECT 2022 2023 2206 2207 2208 CONECT 2023 2022 2024 2201 2205 CONECT 2024 2023 2025 2026 CONECT 2025 2024 CONECT 2026 2024 2027 2193 CONECT 2027 2026 2028 2191 2200 CONECT 2028 2027 2029 2030 CONECT 2029 2028 CONECT 2030 2028 2031 2190 CONECT 2031 2030 2032 2184 2189 CONECT 2032 2031 2033 2034 CONECT 2033 2032 CONECT 2034 2032 2035 2183 CONECT 2035 2034 2036 2169 2182 CONECT 2036 2035 2037 2038 CONECT 2037 2036 CONECT 2038 2036 2039 2168 CONECT 2039 2038 2040 2161 2167 CONECT 2040 2039 2041 2042 CONECT 2041 2040 CONECT 2042 2040 2043 2160 CONECT 2043 2042 2044 2141 2159 CONECT 2044 2043 2045 2046 CONECT 2045 2044 CONECT 2046 2044 2047 2140 CONECT 2047 2046 2048 2134 2139 CONECT 2048 2047 2049 2050 CONECT 2049 2048 CONECT 2050 2048 2051 2133 CONECT 2051 2050 2052 2124 2132 CONECT 2052 2051 2053 2054 CONECT 2053 2052 CONECT 2054 2052 2055 2123 CONECT 2055 2054 2056 2106 2122 CONECT 2056 2055 2057 2058 CONECT 2057 2056 CONECT 2058 2056 2059 2098 CONECT 2059 2058 2060 2096 2105 CONECT 2060 2059 2061 2062 CONECT 2061 2060 CONECT 2062 2060 2063 2088 CONECT 2063 2062 2064 2086 2095 CONECT 2064 2063 2065 2066 CONECT 2065 2064 CONECT 2066 2064 2067 2085 CONECT 2067 2066 2068 2071 2084 CONECT 2068 2067 2069 2070 CONECT 2069 2068 CONECT 2070 2068 CONECT 2071 2067 2072 2082 2083 CONECT 2072 2071 2073 2077 2081 CONECT 2073 2072 2074 2075 2076 CONECT 2074 2073 CONECT 2075 2073 CONECT 2076 2073 CONECT 2077 2072 2078 2079 2080 CONECT 2078 2077 CONECT 2079 2077 CONECT 2080 2077 CONECT 2081 2072 CONECT 2082 2071 CONECT 2083 2071 CONECT 2084 2067 CONECT 2085 2066 CONECT 2086 2063 2087 2093 2094 CONECT 2087 2086 2088 2091 2092 CONECT 2088 2062 2087 2089 2090 CONECT 2089 2088 CONECT 2090 2088 CONECT 2091 2087 CONECT 2092 2087 CONECT 2093 2086 CONECT 2094 2086 CONECT 2095 2063 CONECT 2096 2059 2097 2103 2104 CONECT 2097 2096 2098 2101 2102 CONECT 2098 2058 2097 2099 2100 CONECT 2099 2098 CONECT 2100 2098 CONECT 2101 2097 CONECT 2102 2097 CONECT 2103 2096 CONECT 2104 2096 CONECT 2105 2059 CONECT 2106 2055 2107 2120 2121 CONECT 2107 2106 2108 2118 2119 CONECT 2108 2107 2109 2116 2117 CONECT 2109 2108 2110 2114 2115 CONECT 2110 2109 2111 2112 2113 CONECT 2111 2110 CONECT 2112 2110 CONECT 2113 2110 CONECT 2114 2109 CONECT 2115 2109 CONECT 2116 2108 CONECT 2117 2108 CONECT 2118 2107 CONECT 2119 2107 CONECT 2120 2106 CONECT 2121 2106 CONECT 2122 2055 CONECT 2123 2054 CONECT 2124 2051 2125 2127 2131 CONECT 2125 2124 2126 CONECT 2126 2125 CONECT 2127 2124 2128 2129 2130 CONECT 2128 2127 CONECT 2129 2127 CONECT 2130 2127 CONECT 2131 2124 CONECT 2132 2051 CONECT 2133 2050 CONECT 2134 2047 2135 2137 2138 CONECT 2135 2134 2136 CONECT 2136 2135 CONECT 2137 2134 CONECT 2138 2134 CONECT 2139 2047 CONECT 2140 2046 CONECT 2141 2043 2142 2157 2158 CONECT 2142 2141 2143 2155 2156 CONECT 2143 2142 2144 2153 2154 CONECT 2144 2143 2145 2152 CONECT 2145 2144 2146 2149 CONECT 2146 2145 2147 2148 CONECT 2147 2146 CONECT 2148 2146 CONECT 2149 2145 2150 2151 CONECT 2150 2149 CONECT 2151 2149 CONECT 2152 2144 CONECT 2153 2143 CONECT 2154 2143 CONECT 2155 2142 CONECT 2156 2142 CONECT 2157 2141 CONECT 2158 2141 CONECT 2159 2043 CONECT 2160 2042 CONECT 2161 2039 2162 2165 2166 CONECT 2162 2161 2163 2164 CONECT 2163 2162 CONECT 2164 2162 CONECT 2165 2161 CONECT 2166 2161 CONECT 2167 2039 CONECT 2168 2038 CONECT 2169 2035 2170 2177 2181 CONECT 2170 2169 2171 2175 2176 CONECT 2171 2170 2172 2173 2174 CONECT 2172 2171 CONECT 2173 2171 CONECT 2174 2171 CONECT 2175 2170 CONECT 2176 2170 CONECT 2177 2169 2178 2179 2180 CONECT 2178 2177 CONECT 2179 2177 CONECT 2180 2177 CONECT 2181 2169 CONECT 2182 2035 CONECT 2183 2034 CONECT 2184 2031 2185 2187 2188 CONECT 2185 2184 2186 CONECT 2186 2185 CONECT 2187 2184 CONECT 2188 2184 CONECT 2189 2031 CONECT 2190 2030 CONECT 2191 2027 2192 2198 2199 CONECT 2192 2191 2193 2196 2197 CONECT 2193 2026 2192 2194 2195 CONECT 2194 2193 CONECT 2195 2193 CONECT 2196 2192 CONECT 2197 2192 CONECT 2198 2191 CONECT 2199 2191 CONECT 2200 2027 CONECT 2201 2023 2202 2203 2204 CONECT 2202 2201 CONECT 2203 2201 CONECT 2204 2201 CONECT 2205 2023 CONECT 2206 2022 CONECT 2207 2022 CONECT 2208 2022 MASTER 0 0 0 0 0 0 0 0 2206 2 191 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1oeb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1h3h
RCSB PDB
PDBbind
11aa, >1H3H_2|Chain... at 90%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g6g
RCSB PDB
PDBbind
13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1hc9
RCSB PDB
PDBbind
13-mer
1i8h
RCSB PDB
PDBbind
13-mer
1j4p
RCSB PDB
PDBbind
13-mer
1j4q
RCSB PDB
PDBbind
13-mer
1juq
RCSB PDB
PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2v87
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxe
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
1oeb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Grb2-related adaptor protein 2(C-terminal SH3 domain (SH3C) of Mona/Gads
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.76(Å)
Affinity (Kd/Ki/IC50)
Kd=0.118uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
(2003) Embo J. Vol. 22: pp. 2571
Ligand Properties
Formula
C
5
6
H
9
9
N
1
6
O
1
8
Molecular Weight
1284.480
Exact Mass
1283.730
No. of atoms
189
No. of bonds
191
Polar Surface Area
550.31
LOGP Value
-5.10 (
Computed with XLOGP3
)
-5.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C)CO)CC(=O)O)CCC[NH+]=C(N)N)CO
InChI String
InChI=1S/C56H96N16O18/c1-7-29(4)42(68-46(80)37(27-74)67-49(83)38-16-11-21-70(38)52(86)30(5)58)50(84)64-34(25-41(76)77)45(79)62-32(15-10-20-61-56(59)60)44(78)66-36(26-73)47(81)69-43(31(6)75)51(85)63-33(14-8-9-19-57)53(87)72-23-13-18-40(72)54(88)71-22-12-17-39(71)48(82)65-35(55(89)90)24-28(2)3/h28-40,42-43,73-75H,7-27,57-58H2,1-6H3,(H,62,79)(H,63,85)(H,64,84)(H,65,82)(H,66,78)(H,67,83)(H,68,80)(H,69,81)(H,76,77)(H,89,90)(H4,59,60,61)/p+3/t29-,30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q60787
O89100
Entrez Gene ID
NCBI Entrez Gene ID:
16822
17444
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓