Browse entries in the PDBbind-CN Database
HEADER 5E6O_COMPLEX COMPND 5E6O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 117 PRO GLY SER PHE LYS GLU ARG ARG PRO PHE HIS GLU ARG SEQRES 2 A 117 GLN LYS ASP VAL GLU GLU ILE ARG SER GLN GLN PRO ASN SEQRES 3 A 117 LYS VAL PRO VAL ILE ILE GLU ARG PHE ASP GLY GLU ARG SEQRES 4 A 117 SER LEU PRO LEU MET ASP ARG CYS LYS PHE LEU VAL PRO SEQRES 5 A 117 GLU HIS ILE THR VAL ALA GLU LEU MET SER ILE VAL ARG SEQRES 6 A 117 ARG ARG LEU GLN LEU HIS PRO GLN GLN ALA PHE PHE LEU SEQRES 7 A 117 LEU VAL ASN GLU ARG SER MET VAL SER ASN SER MET SER SEQRES 8 A 117 MET SER ASN LEU TYR SER GLN GLU ARG ASP PRO ASP GLY SEQRES 9 A 117 PHE VAL TYR MET VAL TYR THR SER GLN PRO ALA PHE GLY HET TRP A 230 76 ATOM 1 N PRO A 14 -17.026 -18.768 -27.012 1.00 60.21 N ATOM 2 CA PRO A 14 -16.784 -20.171 -27.369 1.00 58.82 C ATOM 3 C PRO A 14 -15.622 -20.745 -26.559 1.00 50.25 C ATOM 4 O PRO A 14 -15.766 -21.014 -25.365 1.00 49.92 O ATOM 5 CB PRO A 14 -16.441 -20.104 -28.863 1.00 65.64 C ATOM 6 CG PRO A 14 -16.643 -18.636 -29.283 1.00 65.85 C ATOM 7 CD PRO A 14 -17.394 -17.960 -28.183 1.00 63.13 C ATOM 8 HN2 PRO A 14 -16.161 -18.374 -26.590 1.00 0.00 H ATOM 9 HN1 PRO A 14 -17.799 -18.726 -26.318 1.00 0.00 H ATOM 10 N GLY A 15 -14.479 -20.919 -27.208 1.00 39.23 N ATOM 11 CA GLY A 15 -13.233 -21.136 -26.500 1.00 36.34 C ATOM 12 C GLY A 15 -12.415 -19.849 -26.490 1.00 31.49 C ATOM 13 O GLY A 15 -11.193 -19.870 -26.367 1.00 30.12 O ATOM 14 H GLY A 15 -14.476 -20.899 -28.248 1.00 0.00 H ATOM 15 N SER A 16 -13.097 -18.717 -26.622 1.00 24.17 N ATOM 16 CA SER A 16 -12.419 -17.427 -26.677 1.00 26.43 C ATOM 17 C SER A 16 -11.794 -17.062 -25.333 1.00 24.42 C ATOM 18 O SER A 16 -12.175 -17.607 -24.293 1.00 19.49 O ATOM 19 CB SER A 16 -13.398 -16.342 -27.107 1.00 32.53 C ATOM 20 OG SER A 16 -14.340 -16.118 -26.078 1.00 30.63 O ATOM 21 HG SER A 16 -14.974 -15.413 -26.361 1.00 0.00 H ATOM 22 H SER A 16 -14.134 -18.751 -26.687 1.00 0.00 H ATOM 23 N PHE A 17 -10.847 -16.129 -25.353 1.00 14.73 N ATOM 24 CA PHE A 17 -10.186 -15.678 -24.119 1.00 13.42 C ATOM 25 C PHE A 17 -11.171 -15.260 -23.027 1.00 15.44 C ATOM 26 O PHE A 17 -10.988 -15.614 -21.865 1.00 15.51 O ATOM 27 CB PHE A 17 -9.230 -14.524 -24.425 1.00 14.65 C ATOM 28 CG PHE A 17 -8.514 -13.962 -23.204 1.00 11.91 C ATOM 29 CD1 PHE A 17 -7.451 -14.648 -22.633 1.00 19.51 C ATOM 30 CD2 PHE A 17 -8.873 -12.732 -22.669 1.00 13.08 C ATOM 31 CE1 PHE A 17 -6.783 -14.131 -21.531 1.00 20.37 C ATOM 32 CE2 PHE A 17 -8.214 -12.210 -21.559 1.00 15.04 C ATOM 33 CZ PHE A 17 -7.161 -12.911 -20.993 1.00 19.15 C ATOM 34 H PHE A 17 -10.567 -15.708 -26.262 1.00 0.00 H ATOM 35 N LYS A 18 -12.217 -14.522 -23.403 1.00 12.77 N ATOM 36 CA LYS A 18 -13.198 -14.030 -22.429 1.00 14.49 C ATOM 37 C LYS A 18 -13.965 -15.175 -21.797 1.00 20.88 C ATOM 38 O LYS A 18 -14.484 -15.046 -20.692 1.00 20.21 O ATOM 39 CB LYS A 18 -14.180 -13.055 -23.070 1.00 12.36 C ATOM 40 CG LYS A 18 -13.609 -11.665 -23.305 1.00 15.67 C ATOM 41 CD LYS A 18 -14.701 -10.658 -23.595 1.00 16.52 C ATOM 42 CE LYS A 18 -14.117 -9.270 -23.793 1.00 16.17 C ATOM 43 NZ LYS A 18 -15.152 -8.229 -24.016 1.00 20.50 N ATOM 44 HZ1 LYS A 18 -15.701 -8.465 -24.867 1.00 0.00 H ATOM 45 HZ2 LYS A 18 -15.786 -8.190 -23.192 1.00 0.00 H ATOM 46 HZ3 LYS A 18 -14.691 -7.306 -24.144 1.00 0.00 H ATOM 47 H LYS A 18 -12.340 -14.290 -24.409 1.00 0.00 H ATOM 48 N GLU A 19 -14.030 -16.299 -22.499 1.00 21.01 N ATOM 49 CA GLU A 19 -14.691 -17.480 -21.966 1.00 20.40 C ATOM 50 C GLU A 19 -13.754 -18.311 -21.089 1.00 23.61 C ATOM 51 O GLU A 19 -14.205 -19.044 -20.210 1.00 24.43 O ATOM 52 CB GLU A 19 -15.234 -18.340 -23.107 1.00 24.59 C ATOM 53 CG GLU A 19 -16.403 -17.709 -23.858 1.00 33.48 C ATOM 54 CD GLU A 19 -17.622 -17.477 -22.979 1.00 41.63 C ATOM 55 OE1 GLU A 19 -18.116 -18.451 -22.376 1.00 46.41 O ATOM 56 OE2 GLU A 19 -18.086 -16.321 -22.887 1.00 41.60 O ATOM 57 H GLU A 19 -13.601 -16.336 -23.446 1.00 0.00 H ATOM 58 N ARG A 20 -12.454 -18.207 -21.339 1.00 16.13 N ATOM 59 CA ARG A 20 -11.477 -19.022 -20.639 1.00 18.95 C ATOM 60 C ARG A 20 -11.096 -18.394 -19.307 1.00 19.65 C ATOM 61 O ARG A 20 -10.602 -19.076 -18.418 1.00 13.47 O ATOM 62 CB ARG A 20 -10.233 -19.221 -21.511 1.00 17.60 C ATOM 63 CG ARG A 20 -10.431 -20.243 -22.638 1.00 21.38 C ATOM 64 CD ARG A 20 -9.463 -20.002 -23.777 1.00 30.13 C ATOM 65 NE ARG A 20 -8.141 -19.625 -23.302 1.00 31.23 N ATOM 66 CZ ARG A 20 -7.334 -18.791 -23.945 1.00 36.93 C ATOM 67 NH1 ARG A 20 -7.723 -18.244 -25.088 1.00 34.67 N ATOM 68 NH2 ARG A 20 -6.142 -18.500 -23.440 1.00 45.74 N ATOM 69 HE ARG A 20 -7.809 -20.033 -22.405 1.00 0.00 H ATOM 70 HH12 ARG A 20 -7.091 -17.590 -25.593 1.00 0.00 H ATOM 71 HH11 ARG A 20 -8.660 -18.469 -25.480 1.00 0.00 H ATOM 72 HH22 ARG A 20 -5.509 -17.846 -23.944 1.00 0.00 H ATOM 73 HH21 ARG A 20 -5.840 -18.926 -22.540 1.00 0.00 H ATOM 74 H ARG A 20 -12.128 -17.525 -22.053 1.00 0.00 H ATOM 75 N ARG A 21 -11.333 -17.089 -19.190 1.00 21.56 N ATOM 76 CA ARG A 21 -10.944 -16.309 -18.016 1.00 21.79 C ATOM 77 C ARG A 21 -12.038 -15.294 -17.716 1.00 16.16 C ATOM 78 O ARG A 21 -12.405 -14.508 -18.583 1.00 16.71 O ATOM 79 CB ARG A 21 -9.613 -15.580 -18.242 1.00 22.77 C ATOM 80 CG ARG A 21 -8.394 -16.476 -18.469 1.00 24.21 C ATOM 81 CD ARG A 21 -7.951 -17.156 -17.179 1.00 25.53 C ATOM 82 NE ARG A 21 -6.741 -17.953 -17.365 1.00 26.87 N ATOM 83 CZ ARG A 21 -6.726 -19.201 -17.826 1.00 32.02 C ATOM 84 NH1 ARG A 21 -7.861 -19.810 -18.161 1.00 30.78 N ATOM 85 NH2 ARG A 21 -5.572 -19.843 -17.959 1.00 31.12 N ATOM 86 HE ARG A 21 -5.830 -17.515 -17.121 1.00 0.00 H ATOM 87 HH12 ARG A 21 -7.841 -20.786 -18.521 1.00 0.00 H ATOM 88 HH11 ARG A 21 -8.768 -19.310 -18.063 1.00 0.00 H ATOM 89 HH22 ARG A 21 -5.558 -20.819 -18.319 1.00 0.00 H ATOM 90 HH21 ARG A 21 -4.682 -19.371 -17.703 1.00 0.00 H ATOM 91 H ARG A 21 -11.818 -16.602 -19.970 1.00 0.00 H ATOM 92 N PRO A 22 -12.552 -15.294 -16.478 1.00 15.37 N ATOM 93 CA PRO A 22 -13.639 -14.391 -16.090 1.00 22.02 C ATOM 94 C PRO A 22 -13.180 -12.946 -15.916 1.00 18.76 C ATOM 95 O PRO A 22 -11.979 -12.690 -15.800 1.00 16.00 O ATOM 96 CB PRO A 22 -14.113 -14.978 -14.756 1.00 22.69 C ATOM 97 CG PRO A 22 -12.901 -15.590 -14.193 1.00 18.02 C ATOM 98 CD PRO A 22 -12.164 -16.181 -15.371 1.00 17.62 C ATOM 99 N PHE A 23 -14.134 -12.020 -15.876 1.00 18.42 N ATOM 100 CA PHE A 23 -13.831 -10.588 -15.896 1.00 17.47 C ATOM 101 C PHE A 23 -12.826 -10.139 -14.844 1.00 17.60 C ATOM 102 O PHE A 23 -11.869 -9.463 -15.177 1.00 17.88 O ATOM 103 CB PHE A 23 -15.116 -9.768 -15.736 1.00 18.57 C ATOM 104 CG PHE A 23 -14.895 -8.282 -15.805 1.00 18.52 C ATOM 105 CD1 PHE A 23 -14.883 -7.623 -17.021 1.00 17.65 C ATOM 106 CD2 PHE A 23 -14.682 -7.546 -14.655 1.00 19.47 C ATOM 107 CE1 PHE A 23 -14.675 -6.263 -17.081 1.00 18.14 C ATOM 108 CE2 PHE A 23 -14.471 -6.188 -14.712 1.00 22.49 C ATOM 109 CZ PHE A 23 -14.460 -5.545 -15.920 1.00 19.15 C ATOM 110 H PHE A 23 -15.128 -12.323 -15.829 1.00 0.00 H ATOM 111 N HIS A 24 -13.049 -10.479 -13.578 1.00 19.46 N ATOM 112 CA HIS A 24 -12.159 -9.971 -12.537 1.00 24.58 C ATOM 113 C HIS A 24 -10.746 -10.526 -12.703 1.00 19.20 C ATOM 114 O HIS A 24 -9.761 -9.883 -12.326 1.00 18.86 O ATOM 115 CB HIS A 24 -12.694 -10.300 -11.137 1.00 32.06 C ATOM 116 CG HIS A 24 -11.988 -9.562 -10.038 1.00 47.80 C ATOM 117 ND1 HIS A 24 -11.107 -10.176 -9.174 1.00 54.34 N ATOM 118 CD2 HIS A 24 -12.023 -8.257 -9.676 1.00 52.66 C ATOM 119 CE1 HIS A 24 -10.637 -9.283 -8.319 1.00 55.45 C ATOM 120 NE2 HIS A 24 -11.177 -8.112 -8.601 1.00 54.61 N ATOM 121 H HIS A 24 -13.847 -11.099 -13.332 1.00 0.00 H ATOM 122 N GLU A 25 -10.637 -11.722 -13.267 1.00 19.28 N ATOM 123 CA GLU A 25 -9.319 -12.305 -13.495 1.00 19.56 C ATOM 124 C GLU A 25 -8.599 -11.535 -14.594 1.00 18.73 C ATOM 125 O GLU A 25 -7.396 -11.294 -14.517 1.00 16.92 O ATOM 126 CB GLU A 25 -9.430 -13.788 -13.862 1.00 20.57 C ATOM 127 CG GLU A 25 -9.678 -14.698 -12.665 1.00 26.10 C ATOM 128 CD GLU A 25 -8.542 -14.650 -11.659 1.00 33.07 C ATOM 129 OE1 GLU A 25 -7.492 -15.276 -11.919 1.00 36.90 O ATOM 130 OE2 GLU A 25 -8.702 -13.980 -10.611 1.00 31.12 O ATOM 131 H GLU A 25 -11.492 -12.244 -13.547 1.00 0.00 H ATOM 132 N ARG A 26 -9.345 -11.146 -15.617 1.00 15.96 N ATOM 133 CA ARG A 26 -8.768 -10.383 -16.728 1.00 14.72 C ATOM 134 C ARG A 26 -8.323 -9.001 -16.245 1.00 15.76 C ATOM 135 O ARG A 26 -7.226 -8.541 -16.573 1.00 13.95 O ATOM 136 CB ARG A 26 -9.778 -10.271 -17.876 1.00 15.25 C ATOM 137 CG ARG A 26 -10.009 -11.617 -18.566 1.00 15.03 C ATOM 138 CD ARG A 26 -10.943 -11.510 -19.747 1.00 26.07 C ATOM 139 NE ARG A 26 -12.312 -11.907 -19.444 1.00 25.96 N ATOM 140 CZ ARG A 26 -13.346 -11.079 -19.477 1.00 26.78 C ATOM 141 NH1 ARG A 26 -13.163 -9.806 -19.781 1.00 28.20 N ATOM 142 NH2 ARG A 26 -14.563 -11.524 -19.213 1.00 27.50 N ATOM 143 HE ARG A 26 -12.488 -12.899 -19.187 1.00 0.00 H ATOM 144 HH12 ARG A 26 -13.974 -9.156 -19.807 1.00 0.00 H ATOM 145 HH11 ARG A 26 -12.208 -9.454 -19.994 1.00 0.00 H ATOM 146 HH22 ARG A 26 -15.372 -10.872 -19.240 1.00 0.00 H ATOM 147 HH21 ARG A 26 -14.711 -12.526 -18.979 1.00 0.00 H ATOM 148 H ARG A 26 -10.357 -11.386 -15.632 1.00 0.00 H ATOM 149 N GLN A 27 -9.165 -8.356 -15.450 1.00 14.73 N ATOM 150 CA GLN A 27 -8.851 -7.027 -14.921 1.00 14.92 C ATOM 151 C GLN A 27 -7.617 -7.057 -14.021 1.00 15.68 C ATOM 152 O GLN A 27 -6.753 -6.172 -14.094 1.00 15.78 O ATOM 153 CB GLN A 27 -10.048 -6.465 -14.155 1.00 20.32 C ATOM 154 CG GLN A 27 -10.014 -4.959 -13.976 1.00 25.69 C ATOM 155 CD GLN A 27 -11.285 -4.439 -13.345 1.00 27.73 C ATOM 156 OE1 GLN A 27 -11.681 -4.885 -12.267 1.00 30.73 O ATOM 157 NE2 GLN A 27 -11.948 -3.508 -14.029 1.00 31.65 N ATOM 158 HE22 GLN A 27 -11.573 -3.163 -14.935 1.00 0.00 H ATOM 159 HE21 GLN A 27 -12.841 -3.126 -13.657 1.00 0.00 H ATOM 160 H GLN A 27 -10.069 -8.804 -15.196 1.00 0.00 H ATOM 161 N LYS A 28 -7.521 -8.083 -13.178 1.00 16.21 N ATOM 162 CA LYS A 28 -6.347 -8.224 -12.318 1.00 17.05 C ATOM 163 C LYS A 28 -5.068 -8.460 -13.130 1.00 16.30 C ATOM 164 O LYS A 28 -4.010 -7.931 -12.791 1.00 18.46 O ATOM 165 CB LYS A 28 -6.551 -9.364 -11.318 1.00 19.09 C ATOM 166 CG LYS A 28 -5.307 -9.738 -10.519 1.00 29.01 C ATOM 167 CD LYS A 28 -5.633 -10.791 -9.472 1.00 40.53 C ATOM 168 CE LYS A 28 -6.676 -10.271 -8.488 1.00 53.09 C ATOM 169 NZ LYS A 28 -7.231 -11.331 -7.592 1.00 58.94 N ATOM 170 HZ1 LYS A 28 -7.686 -12.067 -8.169 1.00 0.00 H ATOM 171 HZ2 LYS A 28 -6.460 -11.752 -7.036 1.00 0.00 H ATOM 172 HZ3 LYS A 28 -7.932 -10.909 -6.951 1.00 0.00 H ATOM 173 H LYS A 28 -8.285 -8.787 -13.131 1.00 0.00 H ATOM 174 N ASP A 29 -5.165 -9.262 -14.188 1.00 15.85 N ATOM 175 CA ASP A 29 -4.033 -9.528 -15.065 1.00 15.84 C ATOM 176 C ASP A 29 -3.511 -8.213 -15.680 1.00 18.51 C ATOM 177 O ASP A 29 -2.304 -7.962 -15.710 1.00 16.46 O ATOM 178 CB ASP A 29 -4.443 -10.513 -16.169 1.00 17.50 C ATOM 179 CG ASP A 29 -3.270 -11.232 -16.779 1.00 29.47 C ATOM 180 OD1 ASP A 29 -2.256 -11.431 -16.077 1.00 31.97 O ATOM 181 OD2 ASP A 29 -3.369 -11.619 -17.960 1.00 37.50 O ATOM 182 H ASP A 29 -6.079 -9.713 -14.395 1.00 0.00 H ATOM 183 N VAL A 30 -4.426 -7.379 -16.167 1.00 14.21 N ATOM 184 CA VAL A 30 -4.043 -6.083 -16.742 1.00 14.13 C ATOM 185 C VAL A 30 -3.434 -5.166 -15.675 1.00 15.29 C ATOM 186 O VAL A 30 -2.417 -4.508 -15.916 1.00 15.35 O ATOM 187 CB VAL A 30 -5.244 -5.387 -17.424 1.00 16.83 C ATOM 188 CG1 VAL A 30 -4.882 -3.972 -17.880 1.00 14.76 C ATOM 189 CG2 VAL A 30 -5.702 -6.221 -18.616 1.00 13.96 C ATOM 190 H VAL A 30 -5.430 -7.649 -16.140 1.00 0.00 H ATOM 191 N GLU A 31 -3.996 -5.172 -14.491 1.00 16.16 N ATOM 192 CA GLU A 31 -3.496 -4.343 -13.418 1.00 22.02 C ATOM 193 C GLU A 31 -2.063 -4.734 -13.059 1.00 17.04 C ATOM 194 O GLU A 31 -1.241 -3.913 -12.830 1.00 19.71 O ATOM 195 CB GLU A 31 -4.443 -4.329 -12.213 1.00 23.88 C ATOM 196 CG GLU A 31 -5.645 -3.437 -12.447 1.00 33.40 C ATOM 197 CD GLU A 31 -6.580 -3.245 -11.251 1.00 45.00 C ATOM 198 OE1 GLU A 31 -6.168 -3.523 -10.118 1.00 41.85 O ATOM 199 OE2 GLU A 31 -7.746 -2.840 -11.495 1.00 48.09 O ATOM 200 H GLU A 31 -4.818 -5.786 -14.320 1.00 0.00 H ATOM 201 N GLU A 32 -1.813 -6.012 -13.043 1.00 16.28 N ATOM 202 CA GLU A 32 -0.494 -6.490 -12.746 1.00 22.39 C ATOM 203 C GLU A 32 0.504 -6.143 -13.831 1.00 24.33 C ATOM 204 O GLU A 32 1.562 -5.705 -13.584 1.00 23.72 O ATOM 205 CB GLU A 32 -0.512 -7.959 -12.409 1.00 20.64 C ATOM 206 CG GLU A 32 -1.275 -8.175 -11.147 1.00 25.01 C ATOM 207 CD GLU A 32 -1.482 -9.618 -10.745 1.00 40.21 C ATOM 208 OE1 GLU A 32 -1.222 -10.495 -11.551 1.00 45.96 O ATOM 209 OE2 GLU A 32 -1.942 -9.843 -9.609 1.00 41.90 O ATOM 210 H GLU A 32 -2.575 -6.690 -13.247 1.00 0.00 H ATOM 211 N ILE A 33 0.136 -6.326 -15.070 1.00 21.58 N ATOM 212 CA ILE A 33 1.123 -6.077 -16.119 1.00 17.44 C ATOM 213 C ILE A 33 1.371 -4.570 -16.287 1.00 20.21 C ATOM 214 O ILE A 33 2.486 -4.147 -16.595 1.00 19.18 O ATOM 215 CB ILE A 33 0.702 -6.718 -17.471 1.00 20.50 C ATOM 216 CG1 ILE A 33 1.945 -7.063 -18.296 1.00 24.23 C ATOM 217 CG2 ILE A 33 -0.249 -5.821 -18.248 1.00 18.99 C ATOM 218 CD1 ILE A 33 2.959 -7.937 -17.538 1.00 20.94 C ATOM 219 H ILE A 33 -0.828 -6.639 -15.303 1.00 0.00 H ATOM 220 N ARG A 34 0.350 -3.761 -16.049 1.00 17.34 N ATOM 221 CA ARG A 34 0.509 -2.315 -16.169 1.00 25.47 C ATOM 222 C ARG A 34 1.482 -1.800 -15.111 1.00 28.77 C ATOM 223 O ARG A 34 2.229 -0.855 -15.354 1.00 25.68 O ATOM 224 CB ARG A 34 -0.842 -1.608 -16.055 1.00 30.81 C ATOM 225 CG ARG A 34 -1.703 -1.733 -17.308 1.00 38.60 C ATOM 226 CD ARG A 34 -3.058 -1.045 -17.144 1.00 51.95 C ATOM 227 NE ARG A 34 -2.977 0.414 -17.212 1.00 57.55 N ATOM 228 CZ ARG A 34 -3.020 1.108 -18.344 1.00 58.63 C ATOM 229 NH1 ARG A 34 -3.133 0.474 -19.505 1.00 61.22 N ATOM 230 NH2 ARG A 34 -2.947 2.434 -18.319 1.00 57.85 N ATOM 231 HE ARG A 34 -2.880 0.940 -16.320 1.00 0.00 H ATOM 232 HH12 ARG A 34 -3.167 1.016 -20.392 1.00 0.00 H ATOM 233 HH11 ARG A 34 -3.188 -0.564 -19.527 1.00 0.00 H ATOM 234 HH22 ARG A 34 -2.981 2.974 -19.207 1.00 0.00 H ATOM 235 HH21 ARG A 34 -2.856 2.933 -17.411 1.00 0.00 H ATOM 236 H ARG A 34 -0.571 -4.158 -15.775 1.00 0.00 H ATOM 237 N SER A 35 1.492 -2.442 -13.946 1.00 24.36 N ATOM 238 CA SER A 35 2.363 -2.017 -12.860 1.00 28.72 C ATOM 239 C SER A 35 3.816 -2.348 -13.162 1.00 27.23 C ATOM 240 O SER A 35 4.723 -1.845 -12.506 1.00 27.34 O ATOM 241 CB SER A 35 1.951 -2.673 -11.542 1.00 30.41 C ATOM 242 OG SER A 35 2.453 -3.995 -11.452 1.00 28.03 O ATOM 243 HG SER A 35 2.095 -4.535 -12.201 1.00 0.00 H ATOM 244 H SER A 35 0.867 -3.262 -13.809 1.00 0.00 H ATOM 245 N GLN A 36 4.030 -3.190 -14.168 1.00 25.84 N ATOM 246 CA GLN A 36 5.360 -3.698 -14.475 1.00 25.18 C ATOM 247 C GLN A 36 5.889 -3.118 -15.786 1.00 26.99 C ATOM 248 O GLN A 36 7.089 -2.873 -15.933 1.00 26.48 O ATOM 249 CB GLN A 36 5.321 -5.230 -14.546 1.00 27.82 C ATOM 250 CG GLN A 36 6.667 -5.944 -14.626 1.00 30.72 C ATOM 251 CD GLN A 36 6.513 -7.416 -15.025 1.00 27.21 C ATOM 252 OE1 GLN A 36 6.226 -7.729 -16.181 1.00 28.42 O ATOM 253 NE2 GLN A 36 6.696 -8.318 -14.065 1.00 29.22 N ATOM 254 HE22 GLN A 36 6.937 -8.010 -13.101 1.00 0.00 H ATOM 255 HE21 GLN A 36 6.598 -9.331 -14.278 1.00 0.00 H ATOM 256 H GLN A 36 3.225 -3.495 -14.752 1.00 0.00 H ATOM 257 N GLN A 37 4.987 -2.896 -16.737 1.00 21.66 N ATOM 258 CA GLN A 37 5.385 -2.567 -18.099 1.00 24.92 C ATOM 259 C GLN A 37 4.705 -1.310 -18.629 1.00 29.94 C ATOM 260 O GLN A 37 3.675 -1.382 -19.310 1.00 24.69 O ATOM 261 CB GLN A 37 5.084 -3.745 -19.016 1.00 31.62 C ATOM 262 CG GLN A 37 5.650 -5.049 -18.503 1.00 36.23 C ATOM 263 CD GLN A 37 6.663 -5.643 -19.437 1.00 36.21 C ATOM 264 OE1 GLN A 37 7.022 -5.039 -20.444 1.00 38.26 O ATOM 265 NE2 GLN A 37 7.121 -6.842 -19.121 1.00 32.09 N ATOM 266 HE22 GLN A 37 6.787 -7.315 -18.257 1.00 0.00 H ATOM 267 HE21 GLN A 37 7.815 -7.312 -19.736 1.00 0.00 H ATOM 268 H GLN A 37 3.975 -2.959 -16.504 1.00 0.00 H ATOM 269 N PRO A 38 5.295 -0.149 -18.334 1.00 29.33 N ATOM 270 CA PRO A 38 4.773 1.115 -18.853 1.00 32.58 C ATOM 271 C PRO A 38 4.917 1.204 -20.369 1.00 35.35 C ATOM 272 O PRO A 38 5.738 0.499 -20.967 1.00 38.76 O ATOM 273 CB PRO A 38 5.652 2.173 -18.166 1.00 35.64 C ATOM 274 CG PRO A 38 6.369 1.449 -17.060 1.00 40.47 C ATOM 275 CD PRO A 38 6.519 0.045 -17.541 1.00 35.85 C ATOM 276 N ASN A 39 4.112 2.067 -20.974 1.00 33.51 N ATOM 277 CA ASN A 39 4.205 2.357 -22.396 1.00 34.06 C ATOM 278 C ASN A 39 3.999 1.117 -23.274 1.00 27.33 C ATOM 279 O ASN A 39 4.424 1.091 -24.430 1.00 28.04 O ATOM 280 CB ASN A 39 5.551 3.019 -22.709 1.00 34.24 C ATOM 281 CG ASN A 39 5.751 4.329 -21.946 1.00 45.19 C ATOM 282 OD1 ASN A 39 4.796 5.062 -21.685 1.00 50.98 O ATOM 283 ND2 ASN A 39 6.995 4.620 -21.581 1.00 48.19 N ATOM 284 HD22 ASN A 39 7.773 3.973 -21.822 1.00 0.00 H ATOM 285 HD21 ASN A 39 7.191 5.495 -21.054 1.00 0.00 H ATOM 286 H ASN A 39 3.387 2.555 -20.410 1.00 0.00 H ATOM 287 N LYS A 40 3.359 0.094 -22.711 1.00 24.44 N ATOM 288 CA LYS A 40 2.865 -1.041 -23.491 1.00 24.56 C ATOM 289 C LYS A 40 1.355 -1.218 -23.322 1.00 23.12 C ATOM 290 O LYS A 40 0.834 -1.074 -22.217 1.00 20.85 O ATOM 291 CB LYS A 40 3.570 -2.337 -23.088 1.00 18.30 C ATOM 292 CG LYS A 40 5.084 -2.326 -23.304 1.00 23.45 C ATOM 293 CD LYS A 40 5.657 -3.742 -23.249 1.00 22.55 C ATOM 294 CE LYS A 40 7.188 -3.701 -23.251 1.00 22.50 C ATOM 295 NZ LYS A 40 7.770 -5.069 -23.174 1.00 28.58 N ATOM 296 HZ1 LYS A 40 7.453 -5.530 -22.297 1.00 0.00 H ATOM 297 HZ2 LYS A 40 7.454 -5.626 -23.994 1.00 0.00 H ATOM 298 HZ3 LYS A 40 8.808 -5.004 -23.177 1.00 0.00 H ATOM 299 H LYS A 40 3.205 0.102 -21.682 1.00 0.00 H ATOM 300 N VAL A 41 0.663 -1.541 -24.416 1.00 19.48 N ATOM 301 CA VAL A 41 -0.793 -1.724 -24.386 1.00 14.48 C ATOM 302 C VAL A 41 -1.118 -3.220 -24.423 1.00 15.54 C ATOM 303 O VAL A 41 -0.574 -3.952 -25.250 1.00 15.83 O ATOM 304 CB VAL A 41 -1.468 -0.984 -25.563 1.00 18.93 C ATOM 305 CG1 VAL A 41 -2.976 -1.252 -25.604 1.00 13.35 C ATOM 306 CG2 VAL A 41 -1.190 0.508 -25.474 1.00 20.23 C ATOM 307 H VAL A 41 1.170 -1.667 -25.316 1.00 0.00 H ATOM 308 N PRO A 42 -1.962 -3.692 -23.488 1.00 13.22 N ATOM 309 CA PRO A 42 -2.365 -5.101 -23.471 1.00 14.19 C ATOM 310 C PRO A 42 -3.467 -5.365 -24.492 1.00 14.93 C ATOM 311 O PRO A 42 -4.512 -4.716 -24.491 1.00 14.43 O ATOM 312 CB PRO A 42 -2.863 -5.314 -22.040 1.00 15.50 C ATOM 313 CG PRO A 42 -3.318 -3.965 -21.597 1.00 16.89 C ATOM 314 CD PRO A 42 -2.474 -2.950 -22.320 1.00 16.48 C ATOM 315 N VAL A 43 -3.212 -6.317 -25.376 1.00 11.70 N ATOM 316 CA VAL A 43 -4.083 -6.560 -26.512 1.00 11.03 C ATOM 317 C VAL A 43 -4.324 -8.050 -26.647 1.00 16.60 C ATOM 318 O VAL A 43 -3.384 -8.835 -26.622 1.00 16.96 O ATOM 319 CB VAL A 43 -3.467 -6.039 -27.832 1.00 17.05 C ATOM 320 CG1 VAL A 43 -4.426 -6.275 -29.014 1.00 11.66 C ATOM 321 CG2 VAL A 43 -3.102 -4.571 -27.697 1.00 11.57 C ATOM 322 H VAL A 43 -2.364 -6.907 -25.253 1.00 0.00 H ATOM 323 N ILE A 44 -5.589 -8.427 -26.776 1.00 14.32 N ATOM 324 CA ILE A 44 -5.964 -9.796 -27.094 1.00 10.71 C ATOM 325 C ILE A 44 -6.137 -9.900 -28.597 1.00 11.30 C ATOM 326 O ILE A 44 -6.894 -9.137 -29.189 1.00 12.99 O ATOM 327 CB ILE A 44 -7.266 -10.211 -26.392 1.00 12.31 C ATOM 328 CG1 ILE A 44 -7.128 -10.069 -24.878 1.00 13.79 C ATOM 329 CG2 ILE A 44 -7.629 -11.656 -26.770 1.00 15.03 C ATOM 330 CD1 ILE A 44 -6.077 -11.001 -24.289 1.00 12.14 C ATOM 331 H ILE A 44 -6.339 -7.719 -26.645 1.00 0.00 H ATOM 332 N ILE A 45 -5.419 -10.823 -29.228 1.00 12.96 N ATOM 333 CA ILE A 45 -5.524 -10.998 -30.673 1.00 11.02 C ATOM 334 C ILE A 45 -5.951 -12.440 -30.945 1.00 14.49 C ATOM 335 O ILE A 45 -5.258 -13.377 -30.564 1.00 12.70 O ATOM 336 CB ILE A 45 -4.204 -10.675 -31.395 1.00 12.86 C ATOM 337 CG1 ILE A 45 -3.726 -9.268 -31.043 1.00 12.23 C ATOM 338 CG2 ILE A 45 -4.368 -10.799 -32.895 1.00 15.69 C ATOM 339 CD1 ILE A 45 -2.454 -8.876 -31.770 1.00 16.85 C ATOM 340 H ILE A 45 -4.773 -11.430 -28.684 1.00 0.00 H ATOM 341 N GLU A 46 -7.125 -12.608 -31.553 1.00 10.78 N ATOM 342 CA GLU A 46 -7.664 -13.937 -31.812 1.00 12.08 C ATOM 343 C GLU A 46 -8.128 -14.059 -33.252 1.00 13.98 C ATOM 344 O GLU A 46 -8.435 -13.056 -33.904 1.00 10.55 O ATOM 345 CB GLU A 46 -8.826 -14.244 -30.859 1.00 11.59 C ATOM 346 CG GLU A 46 -8.429 -14.303 -29.393 1.00 15.55 C ATOM 347 CD GLU A 46 -9.633 -14.429 -28.476 1.00 19.83 C ATOM 348 OE1 GLU A 46 -9.737 -15.446 -27.736 1.00 19.06 O ATOM 349 OE2 GLU A 46 -10.486 -13.513 -28.502 1.00 20.45 O ATOM 350 H GLU A 46 -7.668 -11.772 -31.849 1.00 0.00 H ATOM 351 N ARG A 47 -8.157 -15.284 -33.759 1.00 12.15 N ATOM 352 CA ARG A 47 -8.732 -15.512 -35.082 1.00 12.16 C ATOM 353 C ARG A 47 -10.247 -15.393 -34.998 1.00 13.60 C ATOM 354 O ARG A 47 -10.867 -15.921 -34.070 1.00 13.00 O ATOM 355 CB ARG A 47 -8.328 -16.890 -35.623 1.00 13.49 C ATOM 356 CG ARG A 47 -8.717 -17.071 -37.085 1.00 13.63 C ATOM 357 CD ARG A 47 -8.241 -18.408 -37.646 1.00 15.20 C ATOM 358 NE ARG A 47 -8.779 -19.530 -36.882 1.00 17.01 N ATOM 359 CZ ARG A 47 -8.388 -20.786 -37.055 1.00 18.04 C ATOM 360 NH1 ARG A 47 -7.459 -21.068 -37.961 1.00 19.02 N ATOM 361 NH2 ARG A 47 -8.918 -21.754 -36.320 1.00 19.25 N ATOM 362 HE ARG A 47 -9.506 -19.334 -36.165 1.00 0.00 H ATOM 363 HH12 ARG A 47 -7.150 -22.051 -38.100 1.00 0.00 H ATOM 364 HH11 ARG A 47 -7.041 -20.306 -38.532 1.00 0.00 H ATOM 365 HH22 ARG A 47 -8.611 -22.738 -36.456 1.00 0.00 H ATOM 366 HH21 ARG A 47 -9.641 -21.529 -35.607 1.00 0.00 H ATOM 367 H ARG A 47 -7.771 -16.082 -33.215 1.00 0.00 H ATOM 368 N PHE A 48 -10.845 -14.683 -35.950 1.00 14.21 N ATOM 369 CA PHE A 48 -12.289 -14.497 -35.962 1.00 14.95 C ATOM 370 C PHE A 48 -12.975 -15.860 -35.978 1.00 16.49 C ATOM 371 O PHE A 48 -12.530 -16.781 -36.657 1.00 16.89 O ATOM 372 CB PHE A 48 -12.716 -13.645 -37.170 1.00 14.55 C ATOM 373 CG PHE A 48 -14.101 -13.033 -37.035 1.00 18.00 C ATOM 374 CD1 PHE A 48 -14.252 -11.672 -36.802 1.00 20.57 C ATOM 375 CD2 PHE A 48 -15.233 -13.812 -37.146 1.00 24.10 C ATOM 376 CE1 PHE A 48 -15.508 -11.107 -36.661 1.00 19.39 C ATOM 377 CE2 PHE A 48 -16.499 -13.250 -37.019 1.00 26.78 C ATOM 378 CZ PHE A 48 -16.628 -11.892 -36.777 1.00 21.26 C ATOM 379 H PHE A 48 -10.270 -14.252 -36.701 1.00 0.00 H ATOM 380 N ASP A 49 -14.036 -16.002 -35.186 1.00 17.63 N ATOM 381 CA ASP A 49 -14.778 -17.263 -35.127 1.00 32.23 C ATOM 382 C ASP A 49 -15.156 -17.786 -36.512 1.00 28.96 C ATOM 383 O ASP A 49 -15.727 -17.058 -37.321 1.00 28.49 O ATOM 384 CB ASP A 49 -16.055 -17.097 -34.293 1.00 40.14 C ATOM 385 CG ASP A 49 -15.779 -16.987 -32.806 1.00 47.73 C ATOM 386 OD1 ASP A 49 -14.602 -17.107 -32.405 1.00 53.21 O ATOM 387 OD2 ASP A 49 -16.747 -16.800 -32.037 1.00 45.98 O ATOM 388 H ASP A 49 -14.344 -15.201 -34.598 1.00 0.00 H ATOM 389 N GLY A 50 -14.837 -19.047 -36.785 1.00 20.99 N ATOM 390 CA GLY A 50 -15.192 -19.653 -38.059 1.00 27.07 C ATOM 391 C GLY A 50 -14.291 -19.338 -39.244 1.00 27.71 C ATOM 392 O GLY A 50 -14.565 -19.766 -40.363 1.00 27.49 O ATOM 393 H GLY A 50 -14.325 -19.610 -36.076 1.00 0.00 H ATOM 394 N GLU A 51 -13.215 -18.592 -39.012 1.00 21.50 N ATOM 395 CA GLU A 51 -12.246 -18.324 -40.069 1.00 18.33 C ATOM 396 C GLU A 51 -11.534 -19.613 -40.441 1.00 25.98 C ATOM 397 O GLU A 51 -11.078 -20.342 -39.564 1.00 28.83 O ATOM 398 CB GLU A 51 -11.240 -17.258 -39.620 1.00 16.60 C ATOM 399 CG GLU A 51 -10.006 -17.106 -40.522 1.00 18.45 C ATOM 400 CD GLU A 51 -10.359 -16.538 -41.886 1.00 22.57 C ATOM 401 OE1 GLU A 51 -11.226 -15.638 -41.955 1.00 20.70 O ATOM 402 OE2 GLU A 51 -9.785 -16.999 -42.895 1.00 25.61 O ATOM 403 H GLU A 51 -13.062 -18.194 -38.063 1.00 0.00 H ATOM 404 N ARG A 52 -11.442 -19.904 -41.734 1.00 22.80 N ATOM 405 CA ARG A 52 -10.822 -21.152 -42.162 1.00 37.79 C ATOM 406 C ARG A 52 -9.623 -21.005 -43.106 1.00 34.51 C ATOM 407 O ARG A 52 -9.086 -22.013 -43.566 1.00 34.80 O ATOM 408 CB ARG A 52 -11.866 -22.050 -42.836 1.00 47.37 C ATOM 409 CG ARG A 52 -13.287 -21.910 -42.310 1.00 52.75 C ATOM 410 CD ARG A 52 -14.294 -22.567 -43.249 1.00 59.63 C ATOM 411 NE ARG A 52 -13.851 -23.880 -43.719 1.00 66.91 N ATOM 412 CZ ARG A 52 -13.422 -24.133 -44.955 1.00 64.93 C ATOM 413 NH1 ARG A 52 -13.376 -23.159 -45.859 1.00 60.79 N ATOM 414 NH2 ARG A 52 -13.037 -25.359 -45.289 1.00 61.48 N ATOM 415 HE ARG A 52 -13.872 -24.669 -43.042 1.00 0.00 H ATOM 416 HH12 ARG A 52 -13.041 -23.360 -46.823 1.00 0.00 H ATOM 417 HH11 ARG A 52 -13.675 -22.197 -45.602 1.00 0.00 H ATOM 418 HH22 ARG A 52 -12.703 -25.554 -46.254 1.00 0.00 H ATOM 419 HH21 ARG A 52 -13.070 -26.124 -44.585 1.00 0.00 H ATOM 420 H ARG A 52 -11.813 -19.240 -42.443 1.00 0.00 H ATOM 421 N SER A 53 -9.192 -19.784 -43.412 1.00 25.26 N ATOM 422 CA SER A 53 -8.073 -19.659 -44.356 1.00 25.17 C ATOM 423 C SER A 53 -6.858 -18.930 -43.795 1.00 22.05 C ATOM 424 O SER A 53 -5.900 -18.658 -44.524 1.00 21.93 O ATOM 425 CB SER A 53 -8.535 -18.974 -45.645 1.00 25.51 C ATOM 426 OG SER A 53 -9.221 -19.896 -46.475 1.00 28.01 O ATOM 427 HG SER A 53 -10.012 -20.246 -45.994 1.00 0.00 H ATOM 428 H SER A 53 -9.635 -18.941 -42.994 1.00 0.00 H ATOM 429 N LEU A 54 -6.899 -18.629 -42.501 1.00 17.60 N ATOM 430 CA LEU A 54 -5.752 -18.073 -41.796 1.00 16.66 C ATOM 431 C LEU A 54 -5.401 -18.983 -40.625 1.00 17.32 C ATOM 432 O LEU A 54 -6.288 -19.590 -40.026 1.00 18.76 O ATOM 433 CB LEU A 54 -6.053 -16.653 -41.298 1.00 15.02 C ATOM 434 CG LEU A 54 -6.331 -15.615 -42.387 1.00 14.57 C ATOM 435 CD1 LEU A 54 -6.759 -14.316 -41.737 1.00 13.75 C ATOM 436 CD2 LEU A 54 -5.082 -15.390 -43.226 1.00 15.12 C ATOM 437 H LEU A 54 -7.780 -18.796 -41.974 1.00 0.00 H ATOM 438 N PRO A 55 -4.108 -19.071 -40.284 1.00 17.50 N ATOM 439 CA PRO A 55 -3.685 -19.964 -39.193 1.00 18.53 C ATOM 440 C PRO A 55 -3.985 -19.407 -37.819 1.00 17.64 C ATOM 441 O PRO A 55 -4.375 -18.255 -37.705 1.00 16.92 O ATOM 442 CB PRO A 55 -2.167 -20.091 -39.395 1.00 19.19 C ATOM 443 CG PRO A 55 -1.781 -18.941 -40.255 1.00 20.22 C ATOM 444 CD PRO A 55 -2.974 -18.530 -41.054 1.00 17.34 C ATOM 445 N LEU A 56 -3.808 -20.234 -36.794 1.00 20.35 N ATOM 446 CA LEU A 56 -3.907 -19.785 -35.410 1.00 22.18 C ATOM 447 C LEU A 56 -2.554 -19.333 -34.928 1.00 23.75 C ATOM 448 O LEU A 56 -1.530 -19.787 -35.449 1.00 22.96 O ATOM 449 CB LEU A 56 -4.398 -20.910 -34.509 1.00 26.36 C ATOM 450 CG LEU A 56 -5.869 -21.290 -34.577 1.00 27.44 C ATOM 451 CD1 LEU A 56 -6.095 -22.520 -33.719 1.00 29.25 C ATOM 452 CD2 LEU A 56 -6.719 -20.123 -34.089 1.00 27.86 C ATOM 453 H LEU A 56 -3.592 -21.233 -36.985 1.00 0.00 H ATOM 454 N MET A 57 -2.543 -18.452 -33.934 1.00 21.81 N ATOM 455 CA MET A 57 -1.334 -18.216 -33.150 1.00 27.89 C ATOM 456 C MET A 57 -1.457 -18.996 -31.841 1.00 30.67 C ATOM 457 O MET A 57 -2.571 -19.220 -31.357 1.00 32.18 O ATOM 458 CB MET A 57 -1.120 -16.718 -32.887 1.00 27.69 C ATOM 459 CG MET A 57 -0.731 -15.947 -34.138 1.00 23.51 C ATOM 460 SD MET A 57 -0.215 -14.238 -33.893 1.00 24.57 S ATOM 461 CE MET A 57 -1.764 -13.501 -33.367 1.00 13.46 C ATOM 462 H MET A 57 -3.409 -17.922 -33.711 1.00 0.00 H ATOM 463 N ASP A 58 -0.326 -19.428 -31.279 1.00 28.58 N ATOM 464 CA ASP A 58 -0.350 -20.180 -30.028 1.00 35.30 C ATOM 465 C ASP A 58 -0.758 -19.293 -28.855 1.00 33.41 C ATOM 466 O ASP A 58 -1.414 -19.750 -27.918 1.00 38.56 O ATOM 467 CB ASP A 58 1.012 -20.813 -29.751 1.00 38.92 C ATOM 468 CG ASP A 58 1.447 -21.751 -30.852 1.00 46.60 C ATOM 469 OD1 ASP A 58 0.572 -22.206 -31.620 1.00 43.66 O ATOM 470 OD2 ASP A 58 2.661 -22.036 -30.952 1.00 52.15 O ATOM 471 H ASP A 58 0.585 -19.226 -31.739 1.00 0.00 H ATOM 472 N ARG A 59 -0.361 -18.027 -28.930 1.00 26.18 N ATOM 473 CA ARG A 59 -0.661 -17.028 -27.906 1.00 24.85 C ATOM 474 C ARG A 59 -1.776 -16.093 -28.379 1.00 18.36 C ATOM 475 O ARG A 59 -1.897 -15.825 -29.580 1.00 17.32 O ATOM 476 CB ARG A 59 0.592 -16.206 -27.573 1.00 23.86 C ATOM 477 CG ARG A 59 1.778 -17.025 -27.081 1.00 32.75 C ATOM 478 CD ARG A 59 1.490 -17.696 -25.752 1.00 38.89 C ATOM 479 NE ARG A 59 2.478 -18.734 -25.459 1.00 48.52 N ATOM 480 CZ ARG A 59 3.687 -18.502 -24.956 1.00 52.11 C ATOM 481 NH1 ARG A 59 4.069 -17.262 -24.674 1.00 51.88 N ATOM 482 NH2 ARG A 59 4.516 -19.515 -24.732 1.00 53.09 N ATOM 483 HE ARG A 59 2.217 -19.721 -25.658 1.00 0.00 H ATOM 484 HH12 ARG A 59 5.016 -17.086 -24.281 1.00 0.00 H ATOM 485 HH11 ARG A 59 3.422 -16.467 -24.846 1.00 0.00 H ATOM 486 HH22 ARG A 59 5.462 -19.336 -24.339 1.00 0.00 H ATOM 487 HH21 ARG A 59 4.219 -20.488 -24.950 1.00 0.00 H ATOM 488 H ARG A 59 0.192 -17.732 -29.760 1.00 0.00 H ATOM 489 N CYS A 60 -2.588 -15.605 -27.439 1.00 18.49 N ATOM 490 CA CYS A 60 -3.562 -14.552 -27.763 1.00 17.01 C ATOM 491 C CYS A 60 -3.347 -13.287 -26.930 1.00 16.76 C ATOM 492 O CYS A 60 -3.899 -12.239 -27.266 1.00 15.63 O ATOM 493 CB CYS A 60 -5.001 -15.045 -27.566 1.00 20.52 C ATOM 494 SG CYS A 60 -5.517 -15.208 -25.836 1.00 28.25 S ATOM 495 H CYS A 60 -2.531 -15.973 -26.468 1.00 0.00 H ATOM 496 N LYS A 61 -2.566 -13.387 -25.848 1.00 18.49 N ATOM 497 CA LYS A 61 -2.252 -12.217 -24.999 1.00 18.21 C ATOM 498 C LYS A 61 -0.978 -11.480 -25.429 1.00 17.54 C ATOM 499 O LYS A 61 0.127 -11.987 -25.253 1.00 22.06 O ATOM 500 CB LYS A 61 -2.094 -12.626 -23.536 1.00 25.65 C ATOM 501 CG LYS A 61 -3.365 -12.691 -22.733 1.00 30.48 C ATOM 502 CD LYS A 61 -3.104 -12.477 -21.234 1.00 30.42 C ATOM 503 CE LYS A 61 -1.951 -13.311 -20.722 1.00 27.86 C ATOM 504 NZ LYS A 61 -1.926 -13.394 -19.225 1.00 27.57 N ATOM 505 HZ1 LYS A 61 -1.833 -12.438 -18.827 1.00 0.00 H ATOM 506 HZ2 LYS A 61 -2.810 -13.826 -18.888 1.00 0.00 H ATOM 507 HZ3 LYS A 61 -1.118 -13.976 -18.925 1.00 0.00 H ATOM 508 H LYS A 61 -2.168 -14.314 -25.597 1.00 0.00 H ATOM 509 N PHE A 62 -1.127 -10.261 -25.938 1.00 22.50 N ATOM 510 CA PHE A 62 0.017 -9.498 -26.419 1.00 18.87 C ATOM 511 C PHE A 62 0.277 -8.235 -25.604 1.00 22.05 C ATOM 512 O PHE A 62 -0.663 -7.601 -25.128 1.00 21.02 O ATOM 513 CB PHE A 62 -0.180 -9.128 -27.889 1.00 15.41 C ATOM 514 CG PHE A 62 -0.106 -10.309 -28.813 1.00 20.08 C ATOM 515 CD1 PHE A 62 -1.208 -11.126 -29.000 1.00 19.47 C ATOM 516 CD2 PHE A 62 1.075 -10.611 -29.475 1.00 24.77 C ATOM 517 CE1 PHE A 62 -1.141 -12.223 -29.838 1.00 20.09 C ATOM 518 CE2 PHE A 62 1.151 -11.704 -30.321 1.00 27.98 C ATOM 519 CZ PHE A 62 0.042 -12.509 -30.502 1.00 21.75 C ATOM 520 H PHE A 62 -2.078 -9.844 -25.994 1.00 0.00 H ATOM 521 N LEU A 63 1.558 -7.900 -25.421 1.00 18.01 N ATOM 522 CA LEU A 63 1.951 -6.572 -24.941 1.00 17.27 C ATOM 523 C LEU A 63 2.565 -5.787 -26.099 1.00 20.89 C ATOM 524 O LEU A 63 3.612 -6.148 -26.609 1.00 22.23 O ATOM 525 CB LEU A 63 2.955 -6.666 -23.777 1.00 19.19 C ATOM 526 CG LEU A 63 2.469 -6.964 -22.362 1.00 24.79 C ATOM 527 CD1 LEU A 63 3.662 -7.056 -21.406 1.00 30.46 C ATOM 528 CD2 LEU A 63 1.491 -5.895 -21.897 1.00 27.66 C ATOM 529 H LEU A 63 2.298 -8.602 -25.625 1.00 0.00 H ATOM 530 N VAL A 64 1.915 -4.713 -26.512 1.00 20.29 N ATOM 531 CA VAL A 64 2.332 -3.992 -27.708 1.00 18.28 C ATOM 532 C VAL A 64 2.877 -2.618 -27.332 1.00 27.51 C ATOM 533 O VAL A 64 2.186 -1.854 -26.654 1.00 22.42 O ATOM 534 CB VAL A 64 1.152 -3.809 -28.682 1.00 18.01 C ATOM 535 CG1 VAL A 64 1.611 -3.189 -29.999 1.00 14.05 C ATOM 536 CG2 VAL A 64 0.454 -5.142 -28.918 1.00 14.62 C ATOM 537 H VAL A 64 1.091 -4.376 -25.974 1.00 0.00 H ATOM 538 N PRO A 65 4.112 -2.296 -27.761 1.00 27.62 N ATOM 539 CA PRO A 65 4.629 -0.937 -27.542 1.00 21.71 C ATOM 540 C PRO A 65 3.645 0.111 -28.042 1.00 16.52 C ATOM 541 O PRO A 65 3.076 -0.029 -29.134 1.00 17.32 O ATOM 542 CB PRO A 65 5.934 -0.934 -28.338 1.00 25.39 C ATOM 543 CG PRO A 65 6.385 -2.372 -28.269 1.00 26.38 C ATOM 544 CD PRO A 65 5.131 -3.189 -28.347 1.00 23.40 C ATOM 545 N GLU A 66 3.403 1.142 -27.235 1.00 20.66 N ATOM 546 CA GLU A 66 2.201 1.958 -27.420 1.00 19.69 C ATOM 547 C GLU A 66 2.162 2.787 -28.707 1.00 20.48 C ATOM 548 O GLU A 66 1.097 3.199 -29.157 1.00 21.58 O ATOM 549 CB GLU A 66 2.021 2.879 -26.211 1.00 22.29 C ATOM 550 CG GLU A 66 3.215 3.760 -25.936 1.00 26.06 C ATOM 551 CD GLU A 66 3.052 4.600 -24.685 1.00 39.09 C ATOM 552 OE1 GLU A 66 2.034 4.444 -23.978 1.00 42.33 O ATOM 553 OE2 GLU A 66 3.952 5.417 -24.408 1.00 47.14 O ATOM 554 H GLU A 66 4.070 1.369 -26.470 1.00 0.00 H ATOM 555 N HIS A 67 3.311 3.030 -29.312 1.00 24.46 N ATOM 556 CA HIS A 67 3.344 3.852 -30.524 1.00 24.21 C ATOM 557 C HIS A 67 2.953 3.109 -31.804 1.00 22.84 C ATOM 558 O HIS A 67 2.797 3.733 -32.861 1.00 16.41 O ATOM 559 CB HIS A 67 4.741 4.425 -30.712 1.00 24.53 C ATOM 560 CG HIS A 67 5.782 3.375 -30.917 1.00 25.49 C ATOM 561 ND1 HIS A 67 6.425 2.755 -29.869 1.00 33.35 N ATOM 562 CD2 HIS A 67 6.283 2.826 -32.048 1.00 32.42 C ATOM 563 CE1 HIS A 67 7.288 1.875 -30.346 1.00 32.07 C ATOM 564 NE2 HIS A 67 7.219 1.896 -31.665 1.00 35.92 N ATOM 565 H HIS A 67 4.194 2.637 -28.927 1.00 0.00 H ATOM 566 N ILE A 68 2.821 1.783 -31.724 1.00 15.13 N ATOM 567 CA ILE A 68 2.590 0.973 -32.916 1.00 23.50 C ATOM 568 C ILE A 68 1.169 1.182 -33.420 1.00 19.25 C ATOM 569 O ILE A 68 0.210 1.199 -32.628 1.00 18.62 O ATOM 570 CB ILE A 68 2.843 -0.529 -32.632 1.00 20.21 C ATOM 571 CG1 ILE A 68 4.344 -0.793 -32.521 1.00 18.14 C ATOM 572 CG2 ILE A 68 2.242 -1.414 -33.718 1.00 22.93 C ATOM 573 CD1 ILE A 68 4.684 -2.138 -31.919 1.00 25.11 C ATOM 574 H ILE A 68 2.884 1.319 -30.796 1.00 0.00 H ATOM 575 N THR A 69 1.027 1.370 -34.729 1.00 16.39 N ATOM 576 CA THR A 69 -0.301 1.619 -35.289 1.00 13.09 C ATOM 577 C THR A 69 -1.001 0.321 -35.645 1.00 13.64 C ATOM 578 O THR A 69 -0.364 -0.719 -35.737 1.00 17.10 O ATOM 579 CB THR A 69 -0.256 2.490 -36.557 1.00 21.25 C ATOM 580 OG1 THR A 69 0.426 1.776 -37.591 1.00 19.87 O ATOM 581 CG2 THR A 69 0.428 3.824 -36.281 1.00 20.33 C ATOM 582 HG1 THR A 69 1.348 1.570 -37.295 1.00 0.00 H ATOM 583 H THR A 69 1.858 1.340 -35.353 1.00 0.00 H ATOM 584 N VAL A 70 -2.306 0.394 -35.898 1.00 12.66 N ATOM 585 CA VAL A 70 -3.050 -0.815 -36.274 1.00 14.81 C ATOM 586 C VAL A 70 -2.448 -1.443 -37.540 1.00 16.83 C ATOM 587 O VAL A 70 -2.262 -2.667 -37.607 1.00 18.58 O ATOM 588 CB VAL A 70 -4.553 -0.538 -36.507 1.00 17.02 C ATOM 589 CG1 VAL A 70 -5.277 -1.838 -36.847 1.00 19.10 C ATOM 590 CG2 VAL A 70 -5.185 0.110 -35.277 1.00 18.32 C ATOM 591 H VAL A 70 -2.799 1.307 -35.829 1.00 0.00 H ATOM 592 N ALA A 71 -2.118 -0.611 -38.531 1.00 16.62 N ATOM 593 CA ALA A 71 -1.495 -1.111 -39.766 1.00 17.82 C ATOM 594 C ALA A 71 -0.122 -1.755 -39.522 1.00 23.79 C ATOM 595 O ALA A 71 0.225 -2.762 -40.152 1.00 22.29 O ATOM 596 CB ALA A 71 -1.372 0.028 -40.803 1.00 17.15 C ATOM 597 H ALA A 71 -2.305 0.407 -38.428 1.00 0.00 H ATOM 598 N GLU A 72 0.663 -1.178 -38.615 1.00 24.62 N ATOM 599 CA GLU A 72 1.952 -1.769 -38.258 1.00 16.02 C ATOM 600 C GLU A 72 1.788 -3.092 -37.515 1.00 19.69 C ATOM 601 O GLU A 72 2.548 -4.045 -37.726 1.00 20.72 O ATOM 602 CB GLU A 72 2.755 -0.784 -37.417 1.00 16.44 C ATOM 603 CG GLU A 72 3.225 0.407 -38.241 1.00 20.59 C ATOM 604 CD GLU A 72 3.737 1.564 -37.409 1.00 27.53 C ATOM 605 OE1 GLU A 72 3.506 1.575 -36.180 1.00 21.57 O ATOM 606 OE2 GLU A 72 4.359 2.476 -38.006 1.00 30.87 O ATOM 607 H GLU A 72 0.356 -0.297 -38.155 1.00 0.00 H ATOM 608 N LEU A 73 0.792 -3.155 -36.642 1.00 19.26 N ATOM 609 CA LEU A 73 0.517 -4.384 -35.910 1.00 18.47 C ATOM 610 C LEU A 73 0.108 -5.492 -36.873 1.00 22.06 C ATOM 611 O LEU A 73 0.440 -6.669 -36.657 1.00 22.59 O ATOM 612 CB LEU A 73 -0.568 -4.148 -34.849 1.00 15.65 C ATOM 613 CG LEU A 73 -0.951 -5.326 -33.947 1.00 15.20 C ATOM 614 CD1 LEU A 73 0.283 -5.900 -33.275 1.00 14.83 C ATOM 615 CD2 LEU A 73 -1.987 -4.886 -32.894 1.00 13.36 C ATOM 616 H LEU A 73 0.200 -2.316 -36.478 1.00 0.00 H ATOM 617 N MET A 74 -0.591 -5.123 -37.947 1.00 15.61 N ATOM 618 CA MET A 74 -0.991 -6.106 -38.942 1.00 17.39 C ATOM 619 C MET A 74 0.244 -6.670 -39.632 1.00 19.00 C ATOM 620 O MET A 74 0.287 -7.856 -39.960 1.00 19.60 O ATOM 621 CB MET A 74 -1.961 -5.500 -39.960 1.00 14.69 C ATOM 622 CG MET A 74 -3.311 -5.131 -39.333 1.00 12.97 C ATOM 623 SD MET A 74 -4.490 -4.425 -40.490 1.00 22.52 S ATOM 624 CE MET A 74 -4.564 -5.761 -41.658 1.00 18.13 C ATOM 625 H MET A 74 -0.852 -4.124 -38.074 1.00 0.00 H ATOM 626 N SER A 75 1.261 -5.830 -39.807 1.00 18.35 N ATOM 627 CA SER A 75 2.511 -6.276 -40.412 1.00 16.83 C ATOM 628 C SER A 75 3.227 -7.259 -39.496 1.00 22.21 C ATOM 629 O SER A 75 3.751 -8.281 -39.947 1.00 18.22 O ATOM 630 CB SER A 75 3.417 -5.085 -40.722 1.00 19.78 C ATOM 631 OG SER A 75 2.769 -4.202 -41.620 1.00 26.04 O ATOM 632 HG SER A 75 1.929 -3.874 -41.211 1.00 0.00 H ATOM 633 H SER A 75 1.163 -4.839 -39.507 1.00 0.00 H ATOM 634 N ILE A 76 3.236 -6.949 -38.204 1.00 20.04 N ATOM 635 CA ILE A 76 3.801 -7.847 -37.209 1.00 16.30 C ATOM 636 C ILE A 76 3.058 -9.185 -37.170 1.00 18.73 C ATOM 637 O ILE A 76 3.684 -10.241 -37.156 1.00 13.33 O ATOM 638 CB ILE A 76 3.778 -7.196 -35.811 1.00 20.28 C ATOM 639 CG1 ILE A 76 4.609 -5.909 -35.830 1.00 24.03 C ATOM 640 CG2 ILE A 76 4.298 -8.149 -34.770 1.00 17.89 C ATOM 641 CD1 ILE A 76 4.294 -4.943 -34.695 1.00 24.86 C ATOM 642 H ILE A 76 2.829 -6.042 -37.897 1.00 0.00 H ATOM 643 N VAL A 77 1.729 -9.151 -37.151 1.00 16.55 N ATOM 644 CA VAL A 77 0.984 -10.399 -37.080 1.00 17.78 C ATOM 645 C VAL A 77 1.122 -11.182 -38.396 1.00 17.06 C ATOM 646 O VAL A 77 1.251 -12.403 -38.376 1.00 14.20 O ATOM 647 CB VAL A 77 -0.495 -10.148 -36.739 1.00 19.70 C ATOM 648 CG1 VAL A 77 -1.313 -11.436 -36.821 1.00 18.10 C ATOM 649 CG2 VAL A 77 -0.596 -9.550 -35.365 1.00 17.04 C ATOM 650 H VAL A 77 1.227 -8.241 -37.187 1.00 0.00 H ATOM 651 N ARG A 78 1.106 -10.482 -39.530 1.00 12.13 N ATOM 652 CA ARG A 78 1.419 -11.115 -40.814 1.00 18.05 C ATOM 653 C ARG A 78 2.714 -11.940 -40.781 1.00 19.81 C ATOM 654 O ARG A 78 2.760 -13.058 -41.299 1.00 20.20 O ATOM 655 CB ARG A 78 1.550 -10.062 -41.906 1.00 21.32 C ATOM 656 CG ARG A 78 0.278 -9.683 -42.584 1.00 25.23 C ATOM 657 CD ARG A 78 0.622 -8.790 -43.749 1.00 23.43 C ATOM 658 NE ARG A 78 -0.559 -8.385 -44.489 1.00 25.84 N ATOM 659 CZ ARG A 78 -1.016 -9.016 -45.559 1.00 18.97 C ATOM 660 NH1 ARG A 78 -0.383 -10.086 -46.023 1.00 20.62 N ATOM 661 NH2 ARG A 78 -2.102 -8.559 -46.170 1.00 20.62 N ATOM 662 HE ARG A 78 -1.078 -7.547 -44.158 1.00 0.00 H ATOM 663 HH12 ARG A 78 -0.744 -10.580 -46.864 1.00 0.00 H ATOM 664 HH11 ARG A 78 0.474 -10.431 -45.546 1.00 0.00 H ATOM 665 HH22 ARG A 78 -2.470 -9.047 -47.012 1.00 0.00 H ATOM 666 HH21 ARG A 78 -2.585 -7.713 -45.807 1.00 0.00 H ATOM 667 H ARG A 78 0.867 -9.470 -39.503 1.00 0.00 H ATOM 668 N ARG A 79 3.756 -11.379 -40.175 1.00 13.68 N ATOM 669 CA ARG A 79 5.064 -12.037 -40.122 1.00 16.10 C ATOM 670 C ARG A 79 4.990 -13.300 -39.296 1.00 18.02 C ATOM 671 O ARG A 79 5.534 -14.340 -39.674 1.00 16.00 O ATOM 672 CB ARG A 79 6.132 -11.119 -39.527 1.00 20.61 C ATOM 673 CG ARG A 79 6.770 -10.139 -40.484 1.00 22.03 C ATOM 674 CD ARG A 79 8.015 -9.538 -39.844 1.00 23.11 C ATOM 675 NE ARG A 79 8.554 -8.433 -40.622 1.00 27.00 N ATOM 676 CZ ARG A 79 9.493 -8.563 -41.550 1.00 22.34 C ATOM 677 NH1 ARG A 79 9.995 -9.754 -41.828 1.00 24.33 N ATOM 678 NH2 ARG A 79 9.927 -7.500 -42.206 1.00 26.27 N ATOM 679 HE ARG A 79 8.179 -7.480 -40.439 1.00 0.00 H ATOM 680 HH12 ARG A 79 10.731 -9.851 -42.556 1.00 0.00 H ATOM 681 HH11 ARG A 79 9.654 -10.594 -41.318 1.00 0.00 H ATOM 682 HH22 ARG A 79 10.663 -7.603 -42.933 1.00 0.00 H ATOM 683 HH21 ARG A 79 9.532 -6.561 -41.995 1.00 0.00 H ATOM 684 H ARG A 79 3.639 -10.448 -39.726 1.00 0.00 H ATOM 685 N ARG A 80 4.326 -13.183 -38.154 1.00 15.14 N ATOM 686 CA ARG A 80 4.208 -14.279 -37.226 1.00 15.56 C ATOM 687 C ARG A 80 3.383 -15.409 -37.809 1.00 15.60 C ATOM 688 O ARG A 80 3.705 -16.568 -37.597 1.00 19.46 O ATOM 689 CB ARG A 80 3.614 -13.791 -35.910 1.00 16.83 C ATOM 690 CG ARG A 80 4.628 -13.029 -35.081 1.00 24.47 C ATOM 691 CD ARG A 80 3.992 -12.416 -33.860 1.00 32.10 C ATOM 692 NE ARG A 80 5.008 -11.922 -32.933 1.00 41.19 N ATOM 693 CZ ARG A 80 5.342 -12.531 -31.801 1.00 42.31 C ATOM 694 NH1 ARG A 80 4.732 -13.654 -31.447 1.00 41.54 N ATOM 695 NH2 ARG A 80 6.278 -12.010 -31.018 1.00 44.89 N ATOM 696 HE ARG A 80 5.500 -11.038 -33.175 1.00 0.00 H ATOM 697 HH12 ARG A 80 4.994 -14.131 -30.561 1.00 0.00 H ATOM 698 HH11 ARG A 80 3.992 -14.058 -32.056 1.00 0.00 H ATOM 699 HH22 ARG A 80 6.539 -12.487 -30.132 1.00 0.00 H ATOM 700 HH21 ARG A 80 6.750 -11.124 -31.291 1.00 0.00 H ATOM 701 H ARG A 80 3.877 -12.274 -37.921 1.00 0.00 H ATOM 702 N LEU A 81 2.334 -15.074 -38.559 1.00 16.51 N ATOM 703 CA LEU A 81 1.522 -16.091 -39.236 1.00 17.89 C ATOM 704 C LEU A 81 2.184 -16.619 -40.510 1.00 21.06 C ATOM 705 O LEU A 81 1.700 -17.574 -41.119 1.00 24.24 O ATOM 706 CB LEU A 81 0.144 -15.524 -39.587 1.00 15.09 C ATOM 707 CG LEU A 81 -0.746 -15.120 -38.412 1.00 16.18 C ATOM 708 CD1 LEU A 81 -2.036 -14.458 -38.929 1.00 20.26 C ATOM 709 CD2 LEU A 81 -1.073 -16.354 -37.588 1.00 18.69 C ATOM 710 H LEU A 81 2.085 -14.070 -38.667 1.00 0.00 H ATOM 711 N GLN A 82 3.275 -15.971 -40.906 1.00 17.81 N ATOM 712 CA GLN A 82 3.960 -16.217 -42.177 1.00 18.71 C ATOM 713 C GLN A 82 3.038 -16.154 -43.403 1.00 18.15 C ATOM 714 O GLN A 82 3.138 -16.986 -44.303 1.00 18.93 O ATOM 715 CB GLN A 82 4.669 -17.570 -42.136 1.00 27.18 C ATOM 716 CG GLN A 82 5.799 -17.630 -41.130 1.00 33.57 C ATOM 717 CD GLN A 82 6.521 -18.958 -41.165 1.00 44.57 C ATOM 718 OE1 GLN A 82 6.198 -19.870 -40.406 1.00 45.64 O ATOM 719 NE2 GLN A 82 7.504 -19.075 -42.053 1.00 51.59 N ATOM 720 HE22 GLN A 82 7.741 -18.275 -42.674 1.00 0.00 H ATOM 721 HE21 GLN A 82 8.035 -19.966 -42.126 1.00 0.00 H ATOM 722 H GLN A 82 3.667 -15.244 -40.274 1.00 0.00 H ATOM 723 N LEU A 83 2.152 -15.162 -43.443 1.00 16.98 N ATOM 724 CA LEU A 83 1.257 -14.992 -44.592 1.00 18.92 C ATOM 725 C LEU A 83 2.027 -14.573 -45.838 1.00 21.62 C ATOM 726 O LEU A 83 3.054 -13.900 -45.741 1.00 22.40 O ATOM 727 CB LEU A 83 0.184 -13.951 -44.290 1.00 15.39 C ATOM 728 CG LEU A 83 -0.580 -14.218 -43.008 1.00 14.58 C ATOM 729 CD1 LEU A 83 -1.717 -13.230 -42.903 1.00 14.32 C ATOM 730 CD2 LEU A 83 -1.096 -15.657 -43.016 1.00 15.61 C ATOM 731 H LEU A 83 2.093 -14.496 -42.646 1.00 0.00 H ATOM 732 N HIS A 84 1.527 -14.959 -47.005 1.00 20.89 N ATOM 733 CA HIS A 84 2.065 -14.432 -48.266 1.00 18.88 C ATOM 734 C HIS A 84 1.797 -12.928 -48.315 1.00 18.28 C ATOM 735 O HIS A 84 0.766 -12.461 -47.831 1.00 17.15 O ATOM 736 CB HIS A 84 1.432 -15.158 -49.463 1.00 25.23 C ATOM 737 CG HIS A 84 1.949 -14.723 -50.802 1.00 33.41 C ATOM 738 ND1 HIS A 84 1.431 -13.645 -51.487 1.00 30.37 N ATOM 739 CD2 HIS A 84 2.906 -15.249 -51.601 1.00 37.40 C ATOM 740 CE1 HIS A 84 2.062 -13.510 -52.638 1.00 26.71 C ATOM 741 NE2 HIS A 84 2.960 -14.473 -52.735 1.00 35.26 N ATOM 742 H HIS A 84 0.744 -15.643 -47.027 1.00 0.00 H ATOM 743 N PRO A 85 2.740 -12.148 -48.865 1.00 19.20 N ATOM 744 CA PRO A 85 2.517 -10.697 -48.810 1.00 24.32 C ATOM 745 C PRO A 85 1.278 -10.229 -49.581 1.00 24.55 C ATOM 746 O PRO A 85 0.776 -9.146 -49.312 1.00 23.80 O ATOM 747 CB PRO A 85 3.801 -10.119 -49.422 1.00 23.48 C ATOM 748 CG PRO A 85 4.479 -11.249 -50.094 1.00 28.74 C ATOM 749 CD PRO A 85 4.077 -12.489 -49.362 1.00 23.24 C ATOM 750 N GLN A 86 0.783 -11.028 -50.516 1.00 22.32 N ATOM 751 CA GLN A 86 -0.402 -10.626 -51.270 1.00 25.27 C ATOM 752 C GLN A 86 -1.702 -11.232 -50.709 1.00 24.35 C ATOM 753 O GLN A 86 -2.771 -11.084 -51.299 1.00 25.60 O ATOM 754 CB GLN A 86 -0.208 -10.976 -52.749 1.00 30.17 C ATOM 755 CG GLN A 86 0.753 -9.984 -53.441 1.00 38.72 C ATOM 756 CD GLN A 86 1.252 -10.437 -54.806 1.00 46.38 C ATOM 757 OE1 GLN A 86 2.326 -11.032 -54.918 1.00 52.67 O ATOM 758 NE2 GLN A 86 0.491 -10.126 -55.854 1.00 38.90 N ATOM 759 HE22 GLN A 86 -0.408 -9.623 -55.713 1.00 0.00 H ATOM 760 HE21 GLN A 86 0.796 -10.386 -56.814 1.00 0.00 H ATOM 761 H GLN A 86 1.239 -11.942 -50.713 1.00 0.00 H ATOM 762 N GLN A 87 -1.613 -11.882 -49.548 1.00 18.88 N ATOM 763 CA GLN A 87 -2.794 -12.476 -48.904 1.00 15.97 C ATOM 764 C GLN A 87 -3.717 -11.449 -48.280 1.00 14.96 C ATOM 765 O GLN A 87 -3.254 -10.513 -47.643 1.00 22.42 O ATOM 766 CB GLN A 87 -2.380 -13.452 -47.805 1.00 16.54 C ATOM 767 CG GLN A 87 -2.489 -14.893 -48.192 1.00 26.16 C ATOM 768 CD GLN A 87 -2.174 -15.803 -47.030 1.00 21.97 C ATOM 769 OE1 GLN A 87 -1.015 -16.167 -46.810 1.00 21.98 O ATOM 770 NE2 GLN A 87 -3.208 -16.176 -46.271 1.00 15.69 N ATOM 771 HE22 GLN A 87 -4.167 -15.842 -46.498 1.00 0.00 H ATOM 772 HE21 GLN A 87 -3.054 -16.800 -45.453 1.00 0.00 H ATOM 773 H GLN A 87 -0.685 -11.971 -49.087 1.00 0.00 H ATOM 774 N ALA A 88 -5.024 -11.631 -48.443 1.00 16.27 N ATOM 775 CA ALA A 88 -5.984 -10.789 -47.746 1.00 17.11 C ATOM 776 C ALA A 88 -5.933 -11.053 -46.242 1.00 15.10 C ATOM 777 O ALA A 88 -5.947 -12.204 -45.807 1.00 18.19 O ATOM 778 CB ALA A 88 -7.391 -11.017 -48.287 1.00 18.69 C ATOM 779 H ALA A 88 -5.364 -12.383 -49.076 1.00 0.00 H ATOM 780 N PHE A 89 -5.845 -9.977 -45.459 1.00 14.92 N ATOM 781 CA PHE A 89 -5.717 -10.052 -44.000 1.00 11.97 C ATOM 782 C PHE A 89 -6.255 -8.755 -43.393 1.00 13.74 C ATOM 783 O PHE A 89 -5.839 -7.666 -43.775 1.00 12.55 O ATOM 784 CB PHE A 89 -4.255 -10.279 -43.589 1.00 12.69 C ATOM 785 CG PHE A 89 -4.025 -10.277 -42.106 1.00 11.50 C ATOM 786 CD1 PHE A 89 -4.354 -11.377 -41.329 1.00 12.07 C ATOM 787 CD2 PHE A 89 -3.462 -9.173 -41.480 1.00 20.05 C ATOM 788 CE1 PHE A 89 -4.129 -11.387 -39.965 1.00 12.75 C ATOM 789 CE2 PHE A 89 -3.247 -9.175 -40.104 1.00 19.89 C ATOM 790 CZ PHE A 89 -3.587 -10.282 -39.350 1.00 16.90 C ATOM 791 H PHE A 89 -5.868 -9.038 -45.905 1.00 0.00 H ATOM 792 N PHE A 90 -7.200 -8.872 -42.476 1.00 11.42 N ATOM 793 CA PHE A 90 -7.746 -7.693 -41.820 1.00 13.65 C ATOM 794 C PHE A 90 -7.718 -7.884 -40.323 1.00 9.75 C ATOM 795 O PHE A 90 -8.008 -8.964 -39.818 1.00 12.70 O ATOM 796 CB PHE A 90 -9.178 -7.424 -42.301 1.00 10.80 C ATOM 797 CG PHE A 90 -9.307 -7.356 -43.795 1.00 10.85 C ATOM 798 CD1 PHE A 90 -9.641 -8.489 -44.527 1.00 16.21 C ATOM 799 CD2 PHE A 90 -9.095 -6.171 -44.474 1.00 11.72 C ATOM 800 CE1 PHE A 90 -9.752 -8.437 -45.898 1.00 13.53 C ATOM 801 CE2 PHE A 90 -9.213 -6.114 -45.855 1.00 12.73 C ATOM 802 CZ PHE A 90 -9.547 -7.239 -46.566 1.00 16.60 C ATOM 803 H PHE A 90 -7.557 -9.815 -42.221 1.00 0.00 H ATOM 804 N LEU A 91 -7.369 -6.834 -39.600 1.00 12.05 N ATOM 805 CA LEU A 91 -7.402 -6.901 -38.148 1.00 9.41 C ATOM 806 C LEU A 91 -8.525 -5.991 -37.691 1.00 9.19 C ATOM 807 O LEU A 91 -8.497 -4.794 -37.966 1.00 14.90 O ATOM 808 CB LEU A 91 -6.058 -6.472 -37.559 1.00 9.68 C ATOM 809 CG LEU A 91 -5.753 -6.662 -36.083 1.00 13.36 C ATOM 810 CD1 LEU A 91 -6.031 -8.086 -35.698 1.00 10.89 C ATOM 811 CD2 LEU A 91 -4.292 -6.321 -35.816 1.00 18.54 C ATOM 812 H LEU A 91 -7.070 -5.957 -40.071 1.00 0.00 H ATOM 813 N LEU A 92 -9.537 -6.565 -37.049 1.00 10.72 N ATOM 814 CA LEU A 92 -10.703 -5.802 -36.581 1.00 13.21 C ATOM 815 C LEU A 92 -10.599 -5.475 -35.090 1.00 12.50 C ATOM 816 O LEU A 92 -10.108 -6.288 -34.317 1.00 15.76 O ATOM 817 CB LEU A 92 -11.983 -6.592 -36.864 1.00 12.43 C ATOM 818 CG LEU A 92 -12.126 -7.027 -38.324 1.00 12.71 C ATOM 819 CD1 LEU A 92 -13.425 -7.823 -38.568 1.00 14.82 C ATOM 820 CD2 LEU A 92 -12.033 -5.820 -39.244 1.00 12.42 C ATOM 821 H LEU A 92 -9.503 -7.589 -36.872 1.00 0.00 H ATOM 822 N VAL A 93 -11.044 -4.283 -34.692 1.00 11.37 N ATOM 823 CA VAL A 93 -10.970 -3.873 -33.293 1.00 11.18 C ATOM 824 C VAL A 93 -12.396 -3.852 -32.776 1.00 12.09 C ATOM 825 O VAL A 93 -13.250 -3.203 -33.364 1.00 12.58 O ATOM 826 CB VAL A 93 -10.308 -2.485 -33.107 1.00 11.70 C ATOM 827 CG1 VAL A 93 -10.239 -2.129 -31.636 1.00 11.30 C ATOM 828 CG2 VAL A 93 -8.903 -2.458 -33.707 1.00 10.86 C ATOM 829 H VAL A 93 -11.452 -3.632 -35.393 1.00 0.00 H ATOM 830 N ASN A 94 -12.651 -4.602 -31.710 1.00 12.21 N ATOM 831 CA ASN A 94 -14.016 -4.877 -31.273 1.00 17.22 C ATOM 832 C ASN A 94 -14.878 -5.378 -32.450 1.00 15.98 C ATOM 833 O ASN A 94 -15.999 -4.925 -32.657 1.00 14.94 O ATOM 834 CB ASN A 94 -14.614 -3.635 -30.605 1.00 15.95 C ATOM 835 CG ASN A 94 -13.950 -3.323 -29.261 1.00 18.25 C ATOM 836 OD1 ASN A 94 -13.854 -4.192 -28.384 1.00 15.86 O ATOM 837 ND2 ASN A 94 -13.462 -2.091 -29.109 1.00 15.90 N ATOM 838 HD22 ASN A 94 -13.566 -1.393 -29.873 1.00 0.00 H ATOM 839 HD21 ASN A 94 -12.978 -1.829 -28.227 1.00 0.00 H ATOM 840 H ASN A 94 -11.857 -5.004 -31.172 1.00 0.00 H ATOM 841 N GLU A 95 -14.304 -6.312 -33.216 1.00 13.13 N ATOM 842 CA GLU A 95 -14.963 -7.023 -34.321 1.00 11.42 C ATOM 843 C GLU A 95 -15.395 -6.167 -35.505 1.00 14.03 C ATOM 844 O GLU A 95 -16.135 -6.637 -36.372 1.00 14.22 O ATOM 845 CB GLU A 95 -16.165 -7.800 -33.792 1.00 14.28 C ATOM 846 CG GLU A 95 -15.757 -8.786 -32.724 1.00 17.36 C ATOM 847 CD GLU A 95 -16.785 -9.875 -32.533 1.00 19.47 C ATOM 848 OE1 GLU A 95 -17.655 -9.713 -31.666 1.00 22.77 O ATOM 849 OE2 GLU A 95 -16.727 -10.887 -33.255 1.00 25.43 O ATOM 850 H GLU A 95 -13.313 -6.554 -33.014 1.00 0.00 H ATOM 851 N ARG A 96 -14.905 -4.941 -35.567 1.00 14.24 N ATOM 852 CA ARG A 96 -15.233 -4.073 -36.688 1.00 13.89 C ATOM 853 C ARG A 96 -14.012 -3.285 -37.224 1.00 13.63 C ATOM 854 O ARG A 96 -13.016 -3.191 -36.588 1.00 10.69 O ATOM 855 CB ARG A 96 -16.419 -3.162 -36.398 1.00 12.01 C ATOM 856 CG ARG A 96 -16.185 -2.266 -35.200 1.00 17.76 C ATOM 857 CD ARG A 96 -15.541 -0.972 -35.607 1.00 19.15 C ATOM 858 NE ARG A 96 -15.656 0.142 -34.679 1.00 15.64 N ATOM 859 CZ ARG A 96 -14.845 0.382 -33.661 1.00 23.35 C ATOM 860 NH1 ARG A 96 -13.892 -0.477 -33.336 1.00 19.10 N ATOM 861 NH2 ARG A 96 -15.009 1.468 -32.931 1.00 17.00 N ATOM 862 HE ARG A 96 -16.442 0.806 -34.828 1.00 0.00 H ATOM 863 HH12 ARG A 96 -13.262 -0.276 -32.534 1.00 0.00 H ATOM 864 HH11 ARG A 96 -13.773 -1.353 -33.883 1.00 0.00 H ATOM 865 HH22 ARG A 96 -14.372 1.658 -32.131 1.00 0.00 H ATOM 866 HH21 ARG A 96 -15.775 2.135 -33.156 1.00 0.00 H ATOM 867 H ARG A 96 -14.281 -4.595 -34.810 1.00 0.00 H ATOM 868 N SER A 97 -14.135 -2.775 -38.439 1.00 13.85 N ATOM 869 CA SER A 97 -13.076 -1.991 -39.056 1.00 12.37 C ATOM 870 C SER A 97 -12.894 -0.643 -38.377 1.00 14.83 C ATOM 871 O SER A 97 -13.859 0.080 -38.158 1.00 19.59 O ATOM 872 CB SER A 97 -13.368 -1.765 -40.539 1.00 18.44 C ATOM 873 OG SER A 97 -13.302 -2.989 -41.258 1.00 23.03 O ATOM 874 HG SER A 97 -13.494 -2.819 -42.214 1.00 0.00 H ATOM 875 H SER A 97 -15.015 -2.940 -38.969 1.00 0.00 H ATOM 876 N MET A 98 -11.645 -0.291 -38.086 1.00 15.49 N ATOM 877 CA MET A 98 -11.349 1.050 -37.593 1.00 15.99 C ATOM 878 C MET A 98 -11.515 2.065 -38.728 1.00 23.94 C ATOM 879 O MET A 98 -11.315 1.735 -39.900 1.00 20.48 O ATOM 880 CB MET A 98 -9.931 1.115 -37.023 1.00 16.72 C ATOM 881 CG MET A 98 -9.728 0.270 -35.785 1.00 15.53 C ATOM 882 SD MET A 98 -10.545 1.000 -34.338 1.00 19.79 S ATOM 883 CE MET A 98 -9.485 2.400 -34.021 1.00 23.48 C ATOM 884 H MET A 98 -10.873 -0.977 -38.211 1.00 0.00 H ATOM 885 N VAL A 99 -11.883 3.294 -38.379 1.00 19.94 N ATOM 886 CA VAL A 99 -11.956 4.377 -39.359 1.00 21.11 C ATOM 887 C VAL A 99 -10.598 4.635 -40.011 1.00 26.04 C ATOM 888 O VAL A 99 -10.502 4.929 -41.208 1.00 30.11 O ATOM 889 CB VAL A 99 -12.462 5.678 -38.711 1.00 25.62 C ATOM 890 CG1 VAL A 99 -12.507 6.793 -39.740 1.00 29.10 C ATOM 891 CG2 VAL A 99 -13.835 5.453 -38.094 1.00 31.82 C ATOM 892 H VAL A 99 -12.124 3.490 -37.387 1.00 0.00 H ATOM 893 N SER A 100 -9.539 4.515 -39.220 1.00 20.02 N ATOM 894 CA SER A 100 -8.200 4.643 -39.758 1.00 21.36 C ATOM 895 C SER A 100 -7.273 3.657 -39.075 1.00 20.07 C ATOM 896 O SER A 100 -7.249 3.583 -37.852 1.00 19.10 O ATOM 897 CB SER A 100 -7.675 6.061 -39.575 1.00 25.58 C ATOM 898 OG SER A 100 -6.345 6.155 -40.041 1.00 27.85 O ATOM 899 HG SER A 100 -6.017 7.081 -39.916 1.00 0.00 H ATOM 900 H SER A 100 -9.672 4.328 -38.206 1.00 0.00 H ATOM 901 N ASN A 101 -6.512 2.905 -39.866 1.00 19.76 N ATOM 902 CA ASN A 101 -5.556 1.960 -39.300 1.00 20.39 C ATOM 903 C ASN A 101 -4.226 2.636 -38.988 1.00 20.32 C ATOM 904 O ASN A 101 -3.251 1.969 -38.619 1.00 21.21 O ATOM 905 CB ASN A 101 -5.347 0.772 -40.242 1.00 22.79 C ATOM 906 CG ASN A 101 -6.576 -0.123 -40.334 1.00 25.40 C ATOM 907 OD1 ASN A 101 -7.293 -0.331 -39.346 1.00 21.02 O ATOM 908 ND2 ASN A 101 -6.819 -0.669 -41.524 1.00 21.89 N ATOM 909 HD22 ASN A 101 -6.190 -0.467 -42.327 1.00 0.00 H ATOM 910 HD21 ASN A 101 -7.638 -1.298 -41.650 1.00 0.00 H ATOM 911 H ASN A 101 -6.600 2.992 -40.899 1.00 0.00 H ATOM 912 N SER A 102 -4.185 3.964 -39.107 1.00 18.39 N ATOM 913 CA SER A 102 -2.973 4.684 -38.729 1.00 19.39 C ATOM 914 C SER A 102 -2.996 5.147 -37.264 1.00 21.81 C ATOM 915 O SER A 102 -2.059 5.815 -36.804 1.00 25.51 O ATOM 916 CB SER A 102 -2.753 5.870 -39.668 1.00 27.16 C ATOM 917 OG SER A 102 -3.888 6.701 -39.708 1.00 36.98 O ATOM 918 HG SER A 102 -4.666 6.180 -40.031 1.00 0.00 H ATOM 919 H SER A 102 -5.011 4.483 -39.467 1.00 0.00 H ATOM 920 N MET A 103 -4.051 4.789 -36.530 1.00 18.97 N ATOM 921 CA MET A 103 -4.123 5.065 -35.085 1.00 20.14 C ATOM 922 C MET A 103 -3.118 4.230 -34.295 1.00 19.79 C ATOM 923 O MET A 103 -3.035 3.014 -34.484 1.00 23.40 O ATOM 924 CB MET A 103 -5.523 4.773 -34.511 1.00 21.96 C ATOM 925 CG MET A 103 -6.600 5.812 -34.772 1.00 33.52 C ATOM 926 SD MET A 103 -7.947 5.677 -33.543 1.00 36.85 S ATOM 927 CE MET A 103 -7.253 6.612 -32.178 1.00 36.83 C ATOM 928 H MET A 103 -4.845 4.301 -36.991 1.00 0.00 H ATOM 929 N SER A 104 -2.406 4.863 -33.373 1.00 20.93 N ATOM 930 CA SER A 104 -1.461 4.142 -32.514 1.00 21.23 C ATOM 931 C SER A 104 -2.195 3.406 -31.394 1.00 25.01 C ATOM 932 O SER A 104 -3.320 3.777 -31.039 1.00 21.54 O ATOM 933 CB SER A 104 -0.441 5.104 -31.908 1.00 23.79 C ATOM 934 OG SER A 104 -1.070 5.941 -30.952 1.00 27.32 O ATOM 935 HG SER A 104 -1.460 5.384 -30.233 1.00 0.00 H ATOM 936 H SER A 104 -2.520 5.890 -33.257 1.00 0.00 H ATOM 937 N MET A 105 -1.558 2.380 -30.826 1.00 25.74 N ATOM 938 CA MET A 105 -2.147 1.643 -29.704 1.00 23.66 C ATOM 939 C MET A 105 -2.521 2.588 -28.554 1.00 24.67 C ATOM 940 O MET A 105 -3.593 2.462 -27.961 1.00 24.42 O ATOM 941 CB MET A 105 -1.199 0.548 -29.200 1.00 21.53 C ATOM 942 CG MET A 105 -0.885 -0.569 -30.212 1.00 19.99 C ATOM 943 SD MET A 105 -2.327 -1.474 -30.793 1.00 22.36 S ATOM 944 CE MET A 105 -3.336 -1.557 -29.319 1.00 75.42 C ATOM 945 H MET A 105 -0.624 2.097 -31.187 1.00 0.00 H ATOM 946 N SER A 106 -1.636 3.533 -28.259 1.00 19.64 N ATOM 947 CA SER A 106 -1.915 4.581 -27.272 1.00 18.32 C ATOM 948 C SER A 106 -3.226 5.288 -27.501 1.00 22.91 C ATOM 949 O SER A 106 -4.070 5.359 -26.607 1.00 26.59 O ATOM 950 CB SER A 106 -0.808 5.643 -27.257 1.00 25.83 C ATOM 951 OG SER A 106 0.194 5.318 -26.319 1.00 38.31 O ATOM 952 HG SER A 106 0.894 6.018 -26.330 1.00 0.00 H ATOM 953 H SER A 106 -0.716 3.530 -28.743 1.00 0.00 H ATOM 954 N ASN A 107 -3.383 5.821 -28.705 1.00 21.58 N ATOM 955 CA ASN A 107 -4.505 6.696 -29.012 1.00 26.40 C ATOM 956 C ASN A 107 -5.853 5.989 -29.173 1.00 24.52 C ATOM 957 O ASN A 107 -6.893 6.634 -29.050 1.00 28.44 O ATOM 958 CB ASN A 107 -4.199 7.516 -30.275 1.00 27.46 C ATOM 959 CG ASN A 107 -3.170 8.614 -30.028 1.00 36.62 C ATOM 960 OD1 ASN A 107 -2.413 8.568 -29.063 1.00 36.47 O ATOM 961 ND2 ASN A 107 -3.165 9.624 -30.893 1.00 42.60 N ATOM 962 HD22 ASN A 107 -3.824 9.623 -31.698 1.00 0.00 H ATOM 963 HD21 ASN A 107 -2.502 10.415 -30.765 1.00 0.00 H ATOM 964 H ASN A 107 -2.687 5.609 -29.448 1.00 0.00 H ATOM 965 N LEU A 108 -5.850 4.696 -29.407 1.00 20.24 N ATOM 966 CA LEU A 108 -7.129 4.019 -29.515 1.00 22.88 C ATOM 967 C LEU A 108 -7.500 3.347 -28.203 1.00 20.83 C ATOM 968 O LEU A 108 -8.574 2.917 -28.040 1.00 15.99 O ATOM 969 CB LEU A 108 -7.120 2.939 -30.572 1.00 21.84 C ATOM 970 CG LEU A 108 -6.217 1.740 -30.470 1.00 26.41 C ATOM 971 CD1 LEU A 108 -6.817 0.642 -29.657 1.00 21.94 C ATOM 972 CD2 LEU A 108 -5.936 1.164 -31.803 1.00 29.04 C ATOM 973 H LEU A 108 -4.957 4.173 -29.512 1.00 0.00 H ATOM 974 N TYR A 109 -6.536 3.292 -27.288 1.00 23.89 N ATOM 975 CA TYR A 109 -6.726 2.572 -26.027 1.00 21.51 C ATOM 976 C TYR A 109 -7.917 3.093 -25.257 1.00 19.94 C ATOM 977 O TYR A 109 -8.772 2.322 -24.899 1.00 22.59 O ATOM 978 CB TYR A 109 -5.482 2.653 -25.144 1.00 21.96 C ATOM 979 CG TYR A 109 -5.557 1.763 -23.909 1.00 21.02 C ATOM 980 CD1 TYR A 109 -5.709 0.391 -24.027 1.00 15.66 C ATOM 981 CD2 TYR A 109 -5.450 2.295 -22.633 1.00 30.30 C ATOM 982 CE1 TYR A 109 -5.762 -0.432 -22.906 1.00 19.71 C ATOM 983 CE2 TYR A 109 -5.504 1.487 -21.512 1.00 27.78 C ATOM 984 CZ TYR A 109 -5.664 0.128 -21.651 1.00 24.76 C ATOM 985 OH TYR A 109 -5.713 -0.662 -20.528 1.00 24.67 O ATOM 986 HH TYR A 109 -5.831 -1.608 -20.796 1.00 0.00 H ATOM 987 H TYR A 109 -5.630 3.769 -27.472 1.00 0.00 H ATOM 988 N SER A 110 -7.980 4.405 -25.017 1.00 22.83 N ATOM 989 CA SER A 110 -9.043 4.965 -24.179 1.00 22.79 C ATOM 990 C SER A 110 -10.405 4.740 -24.825 1.00 30.64 C ATOM 991 O SER A 110 -11.408 4.455 -24.148 1.00 33.70 O ATOM 992 CB SER A 110 -8.797 6.460 -23.935 1.00 30.93 C ATOM 993 OG SER A 110 -9.870 7.052 -23.226 1.00 46.71 O ATOM 994 HG SER A 110 -9.681 8.013 -23.085 1.00 0.00 H ATOM 995 H SER A 110 -7.265 5.037 -25.430 1.00 0.00 H ATOM 996 N GLN A 111 -10.407 4.835 -26.148 1.00 29.21 N ATOM 997 CA GLN A 111 -11.600 4.700 -26.970 1.00 30.18 C ATOM 998 C GLN A 111 -12.080 3.260 -27.096 1.00 24.69 C ATOM 999 O GLN A 111 -13.268 2.970 -26.935 1.00 25.61 O ATOM 1000 CB GLN A 111 -11.301 5.287 -28.352 1.00 37.78 C ATOM 1001 CG GLN A 111 -12.266 4.942 -29.466 1.00 43.27 C ATOM 1002 CD GLN A 111 -11.776 5.477 -30.803 1.00 42.18 C ATOM 1003 OE1 GLN A 111 -11.068 6.482 -30.849 1.00 45.11 O ATOM 1004 NE2 GLN A 111 -12.130 4.800 -31.889 1.00 37.72 N ATOM 1005 HE22 GLN A 111 -12.730 3.955 -31.802 1.00 0.00 H ATOM 1006 HE21 GLN A 111 -11.807 5.115 -32.826 1.00 0.00 H ATOM 1007 H GLN A 111 -9.502 5.017 -26.626 1.00 0.00 H ATOM 1008 N GLU A 112 -11.149 2.350 -27.351 1.00 17.14 N ATOM 1009 CA GLU A 112 -11.520 0.996 -27.738 1.00 12.23 C ATOM 1010 C GLU A 112 -11.314 -0.054 -26.653 1.00 12.56 C ATOM 1011 O GLU A 112 -11.833 -1.154 -26.781 1.00 14.46 O ATOM 1012 CB GLU A 112 -10.738 0.588 -28.997 1.00 14.57 C ATOM 1013 CG GLU A 112 -11.009 1.456 -30.207 1.00 12.94 C ATOM 1014 CD GLU A 112 -12.445 1.377 -30.675 1.00 14.59 C ATOM 1015 OE1 GLU A 112 -13.064 0.297 -30.533 1.00 14.14 O ATOM 1016 OE2 GLU A 112 -12.958 2.397 -31.184 1.00 16.06 O ATOM 1017 H GLU A 112 -10.144 2.606 -27.274 1.00 0.00 H ATOM 1018 N ARG A 113 -10.580 0.273 -25.589 1.00 17.17 N ATOM 1019 CA ARG A 113 -10.348 -0.705 -24.526 1.00 13.50 C ATOM 1020 C ARG A 113 -11.658 -1.213 -23.938 1.00 14.30 C ATOM 1021 O ARG A 113 -12.666 -0.507 -23.878 1.00 13.97 O ATOM 1022 CB ARG A 113 -9.483 -0.124 -23.384 1.00 13.15 C ATOM 1023 CG ARG A 113 -10.174 1.015 -22.627 1.00 22.83 C ATOM 1024 CD ARG A 113 -9.468 1.403 -21.319 1.00 31.15 C ATOM 1025 NE ARG A 113 -9.909 0.554 -20.216 1.00 43.11 N ATOM 1026 CZ ARG A 113 -9.588 0.751 -18.942 1.00 48.62 C ATOM 1027 NH1 ARG A 113 -8.818 1.777 -18.598 1.00 52.07 N ATOM 1028 NH2 ARG A 113 -10.038 -0.080 -18.010 1.00 46.72 N ATOM 1029 HE ARG A 113 -10.515 -0.260 -20.443 1.00 0.00 H ATOM 1030 HH12 ARG A 113 -8.569 1.928 -17.600 1.00 0.00 H ATOM 1031 HH11 ARG A 113 -8.464 2.429 -19.327 1.00 0.00 H ATOM 1032 HH22 ARG A 113 -9.788 0.073 -17.012 1.00 0.00 H ATOM 1033 HH21 ARG A 113 -10.641 -0.884 -18.277 1.00 0.00 H ATOM 1034 H ARG A 113 -10.171 1.226 -25.515 1.00 0.00 H ATOM 1035 N ASP A 114 -11.623 -2.472 -23.535 1.00 12.12 N ATOM 1036 CA ASP A 114 -12.663 -3.089 -22.744 1.00 12.52 C ATOM 1037 C ASP A 114 -12.587 -2.592 -21.303 1.00 13.52 C ATOM 1038 O ASP A 114 -11.519 -2.182 -20.848 1.00 13.69 O ATOM 1039 CB ASP A 114 -12.486 -4.602 -22.806 1.00 11.90 C ATOM 1040 CG ASP A 114 -13.678 -5.358 -22.272 1.00 16.01 C ATOM 1041 OD1 ASP A 114 -14.581 -5.679 -23.074 1.00 16.15 O ATOM 1042 OD2 ASP A 114 -13.701 -5.642 -21.062 1.00 16.13 O ATOM 1043 H ASP A 114 -10.801 -3.050 -23.802 1.00 0.00 H ATOM 1044 N PRO A 115 -13.711 -2.639 -20.566 1.00 14.35 N ATOM 1045 CA PRO A 115 -13.617 -2.367 -19.131 1.00 15.41 C ATOM 1046 C PRO A 115 -12.596 -3.231 -18.392 1.00 16.17 C ATOM 1047 O PRO A 115 -12.149 -2.803 -17.327 1.00 18.71 O ATOM 1048 CB PRO A 115 -15.039 -2.656 -18.616 1.00 17.95 C ATOM 1049 CG PRO A 115 -15.835 -3.131 -19.817 1.00 19.68 C ATOM 1050 CD PRO A 115 -15.110 -2.676 -21.025 1.00 16.04 C ATOM 1051 N ASP A 116 -12.231 -4.401 -18.912 1.00 14.20 N ATOM 1052 CA ASP A 116 -11.257 -5.223 -18.180 1.00 14.56 C ATOM 1053 C ASP A 116 -9.836 -4.722 -18.403 1.00 15.26 C ATOM 1054 O ASP A 116 -8.917 -5.148 -17.704 1.00 13.81 O ATOM 1055 CB ASP A 116 -11.370 -6.733 -18.524 1.00 13.49 C ATOM 1056 CG ASP A 116 -11.005 -7.072 -19.981 1.00 17.25 C ATOM 1057 OD1 ASP A 116 -10.505 -6.210 -20.721 1.00 12.91 O ATOM 1058 OD2 ASP A 116 -11.214 -8.245 -20.387 1.00 16.81 O ATOM 1059 H ASP A 116 -12.627 -4.726 -19.817 1.00 0.00 H ATOM 1060 N GLY A 117 -9.650 -3.812 -19.360 1.00 14.11 N ATOM 1061 CA GLY A 117 -8.341 -3.199 -19.555 1.00 15.38 C ATOM 1062 C GLY A 117 -7.578 -3.652 -20.791 1.00 17.26 C ATOM 1063 O GLY A 117 -6.576 -3.041 -21.156 1.00 14.94 O ATOM 1064 H GLY A 117 -10.445 -3.537 -19.972 1.00 0.00 H ATOM 1065 N PHE A 118 -8.037 -4.740 -21.409 1.00 12.48 N ATOM 1066 CA PHE A 118 -7.508 -5.222 -22.694 1.00 14.97 C ATOM 1067 C PHE A 118 -8.161 -4.497 -23.851 1.00 16.29 C ATOM 1068 O PHE A 118 -9.294 -4.077 -23.722 1.00 13.37 O ATOM 1069 CB PHE A 118 -7.782 -6.719 -22.875 1.00 10.52 C ATOM 1070 CG PHE A 118 -6.910 -7.611 -22.042 1.00 10.65 C ATOM 1071 CD1 PHE A 118 -5.588 -7.825 -22.398 1.00 15.30 C ATOM 1072 CD2 PHE A 118 -7.422 -8.260 -20.929 1.00 17.09 C ATOM 1073 CE1 PHE A 118 -4.779 -8.645 -21.636 1.00 13.63 C ATOM 1074 CE2 PHE A 118 -6.616 -9.097 -20.162 1.00 15.42 C ATOM 1075 CZ PHE A 118 -5.298 -9.288 -20.523 1.00 16.44 C ATOM 1076 H PHE A 118 -8.808 -5.275 -20.960 1.00 0.00 H ATOM 1077 N VAL A 119 -7.465 -4.390 -24.990 1.00 14.53 N ATOM 1078 CA VAL A 119 -8.129 -4.088 -26.256 1.00 10.09 C ATOM 1079 C VAL A 119 -8.298 -5.413 -27.005 1.00 13.76 C ATOM 1080 O VAL A 119 -7.336 -6.157 -27.160 1.00 12.74 O ATOM 1081 CB VAL A 119 -7.339 -3.104 -27.150 1.00 10.42 C ATOM 1082 CG1 VAL A 119 -8.097 -2.845 -28.448 1.00 10.78 C ATOM 1083 CG2 VAL A 119 -7.053 -1.786 -26.441 1.00 15.50 C ATOM 1084 H VAL A 119 -6.434 -4.524 -24.973 1.00 0.00 H ATOM 1085 N TYR A 120 -9.513 -5.707 -27.463 1.00 10.19 N ATOM 1086 CA TYR A 120 -9.797 -6.969 -28.148 1.00 9.98 C ATOM 1087 C TYR A 120 -9.782 -6.824 -29.655 1.00 13.38 C ATOM 1088 O TYR A 120 -10.525 -6.016 -30.207 1.00 11.58 O ATOM 1089 CB TYR A 120 -11.158 -7.518 -27.707 1.00 9.12 C ATOM 1090 CG TYR A 120 -11.058 -8.076 -26.326 1.00 9.47 C ATOM 1091 CD1 TYR A 120 -11.157 -7.251 -25.217 1.00 13.10 C ATOM 1092 CD2 TYR A 120 -10.768 -9.412 -26.135 1.00 9.45 C ATOM 1093 CE1 TYR A 120 -11.005 -7.765 -23.938 1.00 13.06 C ATOM 1094 CE2 TYR A 120 -10.609 -9.930 -24.872 1.00 10.05 C ATOM 1095 CZ TYR A 120 -10.733 -9.100 -23.780 1.00 11.07 C ATOM 1096 OH TYR A 120 -10.587 -9.632 -22.518 1.00 14.36 O ATOM 1097 HH TYR A 120 -10.703 -8.916 -21.844 1.00 0.00 H ATOM 1098 H TYR A 120 -10.283 -5.020 -27.330 1.00 0.00 H ATOM 1099 N MET A 121 -8.960 -7.635 -30.320 1.00 9.41 N ATOM 1100 CA MET A 121 -8.894 -7.625 -31.777 1.00 8.35 C ATOM 1101 C MET A 121 -9.113 -9.026 -32.339 1.00 8.50 C ATOM 1102 O MET A 121 -8.798 -10.012 -31.688 1.00 10.53 O ATOM 1103 CB MET A 121 -7.538 -7.093 -32.262 1.00 8.51 C ATOM 1104 CG MET A 121 -7.226 -5.701 -31.736 1.00 16.51 C ATOM 1105 SD MET A 121 -5.704 -5.065 -32.411 1.00 17.18 S ATOM 1106 CE MET A 121 -5.602 -3.504 -31.523 1.00 19.24 C ATOM 1107 H MET A 121 -8.352 -8.290 -29.788 1.00 0.00 H ATOM 1108 N VAL A 122 -9.657 -9.101 -33.553 1.00 10.88 N ATOM 1109 CA VAL A 122 -9.832 -10.383 -34.221 1.00 8.39 C ATOM 1110 C VAL A 122 -9.371 -10.232 -35.651 1.00 10.26 C ATOM 1111 O VAL A 122 -9.581 -9.177 -36.262 1.00 10.94 O ATOM 1112 CB VAL A 122 -11.300 -10.865 -34.203 1.00 10.21 C ATOM 1113 CG1 VAL A 122 -11.648 -11.445 -32.844 1.00 16.11 C ATOM 1114 CG2 VAL A 122 -12.252 -9.720 -34.587 1.00 13.06 C ATOM 1115 H VAL A 122 -9.962 -8.229 -34.031 1.00 0.00 H ATOM 1116 N TYR A 123 -8.763 -11.271 -36.206 1.00 10.73 N ATOM 1117 CA TYR A 123 -8.328 -11.167 -37.596 1.00 9.12 C ATOM 1118 C TYR A 123 -9.106 -12.112 -38.508 1.00 12.92 C ATOM 1119 O TYR A 123 -9.592 -13.159 -38.094 1.00 11.71 O ATOM 1120 CB TYR A 123 -6.807 -11.408 -37.735 1.00 9.52 C ATOM 1121 CG TYR A 123 -6.270 -12.728 -37.221 1.00 13.43 C ATOM 1122 CD1 TYR A 123 -6.218 -13.856 -38.042 1.00 11.22 C ATOM 1123 CD2 TYR A 123 -5.765 -12.839 -35.932 1.00 17.11 C ATOM 1124 CE1 TYR A 123 -5.706 -15.081 -37.571 1.00 10.95 C ATOM 1125 CE2 TYR A 123 -5.246 -14.051 -35.462 1.00 13.74 C ATOM 1126 CZ TYR A 123 -5.213 -15.164 -36.290 1.00 11.72 C ATOM 1127 OH TYR A 123 -4.703 -16.357 -35.814 1.00 13.99 O ATOM 1128 HH TYR A 123 -4.753 -17.043 -36.526 1.00 0.00 H ATOM 1129 H TYR A 123 -8.599 -12.142 -35.663 1.00 0.00 H ATOM 1130 N THR A 124 -9.225 -11.705 -39.760 1.00 9.65 N ATOM 1131 CA THR A 124 -10.089 -12.385 -40.714 1.00 10.02 C ATOM 1132 C THR A 124 -9.523 -12.190 -42.111 1.00 15.78 C ATOM 1133 O THR A 124 -8.795 -11.232 -42.350 1.00 10.99 O ATOM 1134 CB THR A 124 -11.544 -11.847 -40.641 1.00 9.70 C ATOM 1135 OG1 THR A 124 -12.380 -12.541 -41.584 1.00 13.87 O ATOM 1136 CG2 THR A 124 -11.592 -10.363 -40.932 1.00 9.39 C ATOM 1137 HG1 THR A 124 -12.381 -13.508 -41.373 1.00 0.00 H ATOM 1138 H THR A 124 -8.685 -10.873 -40.073 1.00 0.00 H ATOM 1139 N SER A 125 -9.834 -13.114 -43.015 1.00 13.30 N ATOM 1140 CA SER A 125 -9.477 -12.955 -44.423 1.00 15.53 C ATOM 1141 C SER A 125 -10.625 -12.364 -45.246 1.00 13.76 C ATOM 1142 O SER A 125 -10.472 -12.132 -46.439 1.00 13.88 O ATOM 1143 CB SER A 125 -9.056 -14.305 -45.018 1.00 14.79 C ATOM 1144 OG SER A 125 -10.108 -15.252 -44.915 1.00 15.84 O ATOM 1145 HG SER A 125 -10.341 -15.382 -43.962 1.00 0.00 H ATOM 1146 H SER A 125 -10.343 -13.969 -42.713 1.00 0.00 H ATOM 1147 N GLN A 126 -11.768 -12.113 -44.614 1.00 11.19 N ATOM 1148 CA GLN A 126 -12.971 -11.673 -45.343 1.00 12.56 C ATOM 1149 C GLN A 126 -13.155 -10.161 -45.312 1.00 14.86 C ATOM 1150 O GLN A 126 -13.340 -9.585 -44.239 1.00 12.90 O ATOM 1151 CB GLN A 126 -14.228 -12.335 -44.760 1.00 20.59 C ATOM 1152 CG GLN A 126 -14.120 -13.835 -44.587 1.00 38.26 C ATOM 1153 CD GLN A 126 -13.866 -14.553 -45.899 1.00 53.97 C ATOM 1154 OE1 GLN A 126 -14.318 -14.116 -46.959 1.00 56.45 O ATOM 1155 NE2 GLN A 126 -13.129 -15.656 -45.835 1.00 63.38 N ATOM 1156 HE22 GLN A 126 -12.768 -15.988 -44.918 1.00 0.00 H ATOM 1157 HE21 GLN A 126 -12.913 -16.188 -46.702 1.00 0.00 H ATOM 1158 H GLN A 126 -11.814 -12.230 -43.582 1.00 0.00 H ATOM 1159 N PRO A 127 -13.099 -9.506 -46.488 1.00 11.12 N ATOM 1160 CA PRO A 127 -13.363 -8.064 -46.576 1.00 14.89 C ATOM 1161 C PRO A 127 -14.802 -7.739 -46.179 1.00 14.28 C ATOM 1162 O PRO A 127 -15.629 -8.651 -46.138 1.00 13.16 O ATOM 1163 CB PRO A 127 -13.140 -7.744 -48.062 1.00 18.08 C ATOM 1164 CG PRO A 127 -12.511 -8.931 -48.645 1.00 15.62 C ATOM 1165 CD PRO A 127 -12.912 -10.106 -47.815 1.00 13.94 C ATOM 1166 N ALA A 128 -15.103 -6.465 -45.933 1.00 13.98 N ATOM 1167 CA ALA A 128 -16.438 -6.068 -45.487 1.00 14.78 C ATOM 1168 C ALA A 128 -17.573 -6.566 -46.380 1.00 13.22 C ATOM 1169 O ALA A 128 -18.660 -6.869 -45.893 1.00 15.13 O ATOM 1170 CB ALA A 128 -16.512 -4.537 -45.357 1.00 13.52 C ATOM 1171 H ALA A 128 -14.372 -5.736 -46.061 1.00 0.00 H ATOM 1172 N PHE A 129 -17.333 -6.659 -47.685 1.00 13.13 N ATOM 1173 CA PHE A 129 -18.376 -7.096 -48.608 1.00 12.30 C ATOM 1174 C PHE A 129 -17.871 -8.255 -49.456 1.00 12.19 C ATOM 1175 O PHE A 129 -18.313 -8.457 -50.592 1.00 15.66 O ATOM 1176 CB PHE A 129 -18.836 -5.915 -49.463 1.00 15.96 C ATOM 1177 CG PHE A 129 -19.239 -4.731 -48.628 1.00 16.34 C ATOM 1178 CD1 PHE A 129 -20.380 -4.791 -47.843 1.00 15.49 C ATOM 1179 CD2 PHE A 129 -18.440 -3.603 -48.558 1.00 14.56 C ATOM 1180 CE1 PHE A 129 -20.743 -3.721 -47.021 1.00 11.40 C ATOM 1181 CE2 PHE A 129 -18.806 -2.519 -47.754 1.00 14.30 C ATOM 1182 CZ PHE A 129 -19.951 -2.588 -46.984 1.00 14.63 C ATOM 1183 H PHE A 129 -16.391 -6.417 -48.052 1.00 0.00 H ATOM 1184 N GLY A 130 -16.912 -8.990 -48.888 1.00 13.76 N ATOM 1185 CA GLY A 130 -16.434 -10.240 -49.459 1.00 12.66 C ATOM 1186 C GLY A 130 -15.742 -10.132 -50.807 1.00 31.37 C ATOM 1187 O GLY A 130 -15.184 -9.090 -51.145 1.00 28.16 O ATOM 1188 OXT GLY A 130 -15.727 -11.085 -51.586 1.00 30.00 O ATOM 1189 H GLY A 130 -16.488 -8.655 -47.999 1.00 0.00 H TER 1190 GLY A 130 HETATM 1191 O HOH 1 -17.289 -3.412 -32.788 1.00120.89 O HETATM 1192 O HOH 2 -12.600 -16.711 -43.908 1.00 47.93 O HETATM 1193 O HOH 3 -14.470 -3.060 -43.237 1.00 46.69 O HETATM 1194 O HOH 4 2.984 -15.119 -32.169 1.00 33.92 O HETATM 1195 O HOH 5 -12.760 -15.647 -31.931 1.00 41.55 O HETATM 1196 O HOH 6 -7.297 -23.561 -42.977 1.00 39.68 O HETATM 1197 O HOH 7 -13.457 2.406 -24.500 1.00 41.17 O HETATM 1198 O HOH 8 -11.749 -19.857 -46.334 1.00 33.95 O HETATM 1199 O HOH 9 -13.474 -1.547 -13.540 1.00 36.12 O HETATM 1200 O HOH 10 -8.399 -17.603 -27.679 1.00 31.80 O HETATM 1201 O HOH 11 -4.114 -15.556 -31.197 1.00 26.24 O HETATM 1202 O HOH 12 12.261 -6.781 -42.945 1.00 28.51 O HETATM 1203 O HOH 13 -20.177 -8.921 -45.870 1.00 25.05 O HETATM 1204 O HOH 14 -1.336 -8.331 -55.904 1.00 48.48 O HETATM 1205 O HOH 15 4.494 3.746 -35.240 1.00 67.46 O HETATM 1206 O HOH 16 -1.860 -23.032 -31.431 1.00 28.24 O HETATM 1207 O HOH 17 -3.329 -18.514 -44.340 1.00 19.01 O HETATM 1208 O HOH 18 -13.551 -14.689 -40.671 1.00 28.30 O HETATM 1209 O HOH 19 -15.017 -4.357 -25.317 1.00 20.00 O HETATM 1210 O HOH 20 1.065 -0.997 -19.529 1.00 33.20 O HETATM 1211 O HOH 21 -10.354 -13.257 -48.838 1.00 30.58 O HETATM 1212 O HOH 22 6.047 -17.734 -37.134 1.00 36.84 O HETATM 1213 O HOH 23 -12.993 -18.725 -43.547 1.00 30.74 O HETATM 1214 O HOH 24 7.196 2.399 -27.343 1.00 49.03 O HETATM 1215 O HOH 25 -6.196 6.576 -25.553 1.00 23.84 O HETATM 1216 O HOH 26 8.891 -1.728 -14.308 1.00 38.29 O HETATM 1217 O HOH 27 -4.092 -17.553 -21.977 1.00 43.67 O HETATM 1218 O HOH 28 -4.865 -17.162 -33.244 1.00 22.00 O HETATM 1219 O HOH 29 -5.806 -14.691 -46.869 1.00 18.83 O HETATM 1220 O HOH 30 -15.228 -7.788 -20.390 1.00 17.54 O HETATM 1221 O HOH 31 -15.828 -15.923 -18.492 1.00 32.97 O HETATM 1222 O HOH 32 0.092 7.405 -37.333 1.00 33.24 O HETATM 1223 O HOH 33 9.690 -12.324 -40.950 1.00 25.29 O HETATM 1224 O HOH 34 -3.688 -6.478 -44.972 1.00 24.14 O HETATM 1225 O HOH 35 -16.461 -0.057 -38.998 1.00 19.78 O HETATM 1226 O HOH 36 -12.770 -14.184 -29.868 1.00 25.91 O HETATM 1227 O HOH 37 -11.737 -4.028 -26.630 1.00 16.22 O HETATM 1228 O HOH 38 -10.396 -10.908 -29.399 1.00 12.82 O HETATM 1229 O HOH 39 -17.405 -6.212 -38.782 1.00 14.61 O HETATM 1230 O HOH 40 -6.605 3.197 -42.609 1.00 31.33 O HETATM 1231 O HOH 41 2.117 -20.278 -40.751 1.00 34.39 O HETATM 1232 O HOH 42 -9.066 -19.691 -49.225 1.00 27.99 O HETATM 1233 O HOH 43 5.941 -20.326 -37.689 1.00 53.66 O HETATM 1234 O HOH 44 -10.640 0.291 -42.166 1.00 44.24 O HETATM 1235 O HOH 45 -1.726 -7.976 -49.757 1.00 36.22 O HETATM 1236 O HOH 46 -19.504 -5.888 -43.397 1.00 25.03 O HETATM 1237 O HOH 47 -1.772 -6.071 -43.447 1.00 21.82 O HETATM 1238 O HOH 48 -7.409 -17.347 -31.999 1.00 19.47 O HETATM 1239 O HOH 49 -12.356 -7.729 -31.763 1.00 17.54 O HETATM 1240 O HOH 50 6.999 -0.278 -13.063 1.00 23.24 O HETATM 1241 O HOH 51 -11.247 -12.910 -9.881 1.00 53.62 O HETATM 1242 O HOH 52 -15.810 -13.752 -26.569 1.00 35.45 O HETATM 1243 O HOH 53 -17.985 -4.863 -30.628 1.00 20.49 O HETATM 1244 O HOH 54 -12.106 -13.245 -26.166 1.00 17.34 O HETATM 1245 O HOH 55 4.939 -11.944 -54.185 1.00 36.62 O HETATM 1246 O HOH 56 -16.880 -19.961 -19.739 1.00 33.51 O HETATM 1247 O HOH 57 -13.338 -6.927 -51.531 1.00 26.74 O HETATM 1248 O HOH 58 -8.431 8.237 -21.041 1.00 68.20 O HETATM 1249 O HOH 59 7.894 0.161 -22.846 1.00 33.99 O HETATM 1250 O HOH 60 -9.416 -2.109 -38.467 1.00 18.71 O HETATM 1251 O HOH 61 -11.193 -19.125 -35.357 1.00 19.91 O HETATM 1252 O HOH 62 -10.222 -21.659 -33.739 1.00 29.90 O HETATM 1253 O HOH 63 4.678 -8.126 -42.715 1.00 26.26 O HETATM 1254 O HOH 64 -15.724 -15.124 -29.840 1.00 85.73 O HETATM 1255 O HOH 65 -12.758 -21.934 -37.727 1.00 36.34 O HETATM 1256 O HOH 66 -16.908 -12.913 -16.411 1.00 26.08 O HETATM 1257 O HOH 67 5.004 -13.016 -43.689 1.00 28.82 O HETATM 1258 O HOH 68 -12.969 -4.401 -46.131 1.00 16.15 O HETATM 1259 O HOH 69 -9.298 5.069 -36.267 1.00 30.78 O HETATM 1260 O HOH 70 -7.238 -1.351 -8.323 1.00 34.19 O HETATM 1261 O HOH 71 -6.084 -13.862 -50.201 1.00 26.67 O HETATM 1262 O HOH 72 6.073 -10.663 -16.981 1.00 42.03 O HETATM 1263 O HOH 73 -15.470 -12.162 -12.816 1.00 29.19 O HETATM 1264 O HOH 74 -7.717 -24.545 -36.625 1.00 36.13 O HETATM 1265 O HOH 75 -12.999 3.470 -35.541 1.00 27.60 O HETATM 1266 O HOH 76 -1.707 -16.276 -24.589 1.00 27.30 O HETATM 1267 O HOH 77 -16.579 -3.790 -39.988 1.00 28.64 O HETATM 1268 O HOH 78 2.538 -10.898 -45.386 1.00 21.31 O HETATM 1269 O HOH 79 -15.247 -1.583 -25.155 1.00 24.88 O HETATM 1270 O HOH 80 -14.875 -13.348 -33.464 1.00 22.58 O HETATM 1271 O HOH 81 -3.978 -12.693 -53.668 1.00 35.06 O HETATM 1272 O HOH 82 -3.871 9.655 -38.658 1.00 41.74 O HETATM 1273 O HOH 83 -12.831 3.934 -21.353 1.00 41.08 O HETATM 1274 O HOH 84 -18.353 -10.276 -45.864 1.00 40.88 O HETATM 1275 O HOH 85 -10.139 -3.256 -40.995 1.00 38.85 O HETATM 1276 O HOH 86 -5.469 -12.690 -12.282 1.00 42.12 O HETATM 1277 O HOH 87 0.121 1.309 -18.764 1.00 44.99 O HETATM 1278 O HOH 88 -6.696 0.280 -11.262 1.00 49.80 O HETATM 1279 O HOH 89 -7.586 -2.828 -15.754 1.00 42.60 O HETATM 1280 O HOH 90 7.456 -5.339 -41.539 1.00 40.29 O HETATM 1281 O HOH 91 -15.174 -17.691 -17.281 1.00 41.42 O HETATM 1282 O HOH 92 2.243 6.985 -33.605 1.00 43.26 O HETATM 1283 O HOH 93 -12.271 8.885 -28.720 1.00 60.16 O HETATM 1284 O HOH 94 -12.229 -26.884 -42.319 1.00 39.86 O HETATM 1285 O HOH 95 8.847 0.232 -34.206 1.00 33.55 O HETATM 1286 O HOH 96 4.183 -20.142 -45.223 1.00 39.33 O HETATM 1287 O HOH 97 9.128 -3.859 -41.834 1.00 88.17 O HETATM 1288 O HOH 98 7.321 5.160 -17.877 1.00 37.62 O HETATM 1289 O HOH 99 7.483 -2.589 -10.032 1.00 48.68 O HETATM 1290 O HOH 100 7.345 1.249 -36.004 1.00 37.34 O HETATM 1291 O HOH 101 -13.381 -13.412 -11.052 1.00 51.04 O HETATM 1292 O HOH 102 -2.786 1.177 -13.399 1.00 42.44 O HETATM 1293 O HOH 103 5.511 -16.955 -33.390 1.00 46.39 O HETATM 1294 O HOH 104 -10.487 8.675 -27.096 1.00 31.70 O HETATM 1295 O HOH 105 -19.890 -10.270 -43.825 1.00 27.10 O HETATM 1296 O HOH 106 -9.504 -19.562 -32.245 1.00 42.63 O HETATM 1297 O HOH 107 -13.090 -10.030 -29.773 1.00 23.37 O HETATM 1298 O HOH 108 6.382 -5.978 -25.635 1.00 27.75 O HETATM 1299 O HOH 109 7.134 -9.618 -18.657 1.00 49.64 O HETATM 1300 O HOH 110 9.845 -8.637 -26.954 1.00 24.74 O HETATM 1301 O HOH 111 7.168 -12.775 -25.136 1.00 36.11 O HETATM 1302 O HOH 112 10.968 -11.266 -27.103 1.00 35.75 O HETATM 1303 N TRP A 113 2.309 -13.783 -21.401 1.00 0.24 N HETATM 1304 CA TRP A 113 2.248 -12.658 -22.329 1.00 0.07 C HETATM 1305 C TRP A 113 3.177 -12.830 -23.520 1.00 0.23 C HETATM 1306 O TRP A 113 4.324 -13.249 -23.370 1.00 -0.39 O HETATM 1307 N TRP A 113 2.678 -12.494 -24.702 1.00 -0.26 N HETATM 1308 CA TRP A 113 3.515 -12.417 -25.884 1.00 0.13 C HETATM 1309 C TRP A 113 3.957 -10.969 -26.088 1.00 0.20 C HETATM 1310 O TRP A 113 3.159 -10.105 -26.450 1.00 -0.39 O HETATM 1311 N TRP A 113 5.237 -10.707 -25.842 1.00 -0.26 N HETATM 1312 CA TRP A 113 5.735 -9.340 -25.830 1.00 0.13 C HETATM 1313 C TRP A 113 6.372 -8.940 -27.153 1.00 0.20 C HETATM 1314 O TRP A 113 7.467 -9.393 -27.492 1.00 -0.39 O HETATM 1315 N TRP A 113 5.677 -8.087 -27.898 1.00 -0.27 N HETATM 1316 CA TRP A 113 6.206 -7.569 -29.155 1.00 0.09 C HETATM 1317 C TRP A 113 7.288 -6.523 -28.893 1.00 0.06 C HETATM 1318 O TRP A 113 8.209 -6.358 -29.694 1.00 -0.57 O HETATM 1319 OXT TRP A 113 7.259 -5.827 -27.878 1.00 -0.57 O HETATM 1320 CB TRP A 113 5.080 -6.972 -30.004 1.00 -0.02 C HETATM 1321 CG TRP A 113 3.942 -7.938 -30.331 1.00 -0.04 C HETATM 1322 CD1 TRP A 113 2.909 -7.281 -31.248 1.00 -0.06 C HETATM 1323 H30 TRP A 113 2.104 -7.998 -31.466 1.00 0.02 H HETATM 1324 H31 TRP A 113 3.393 -6.977 -32.188 1.00 0.02 H HETATM 1325 H32 TRP A 113 2.487 -6.396 -30.750 1.00 0.02 H HETATM 1326 CD2 TRP A 113 4.482 -9.202 -30.959 1.00 -0.06 C HETATM 1327 H33 TRP A 113 5.222 -9.659 -30.285 1.00 0.02 H HETATM 1328 H34 TRP A 113 4.961 -8.959 -31.919 1.00 0.02 H HETATM 1329 H35 TRP A 113 3.656 -9.908 -31.130 1.00 0.02 H HETATM 1330 H29 TRP A 113 3.441 -8.208 -29.390 1.00 0.03 H HETATM 1331 H27 TRP A 113 5.515 -6.622 -30.952 1.00 0.03 H HETATM 1332 H28 TRP A 113 4.656 -6.117 -29.457 1.00 0.03 H HETATM 1333 H26 TRP A 113 6.657 -8.403 -29.712 1.00 0.07 H HETATM 1334 H25 TRP A 113 4.772 -7.794 -27.590 1.00 0.19 H HETATM 1335 CB TRP A 113 6.734 -9.159 -24.689 1.00 -0.00 C HETATM 1336 CG TRP A 113 6.226 -9.686 -23.355 1.00 0.00 C HETATM 1337 CD TRP A 113 6.957 -9.077 -22.180 1.00 0.04 C HETATM 1338 OE1 TRP A 113 7.630 -8.042 -22.376 1.00 -0.57 O HETATM 1339 OE2 TRP A 113 6.868 -9.636 -21.068 1.00 -0.57 O HETATM 1340 H23 TRP A 113 6.364 -10.777 -23.330 1.00 0.04 H HETATM 1341 H24 TRP A 113 5.155 -9.450 -23.266 1.00 0.04 H HETATM 1342 H21 TRP A 113 6.950 -8.086 -24.581 1.00 0.03 H HETATM 1343 H22 TRP A 113 7.659 -9.695 -24.947 1.00 0.03 H HETATM 1344 H20 TRP A 113 4.880 -8.671 -25.651 1.00 0.08 H HETATM 1345 H19 TRP A 113 5.868 -11.462 -25.662 1.00 0.19 H HETATM 1346 CB TRP A 113 2.778 -12.950 -27.114 1.00 -0.00 C HETATM 1347 CG TRP A 113 3.685 -13.220 -28.297 1.00 0.00 C HETATM 1348 CD TRP A 113 4.729 -14.289 -28.011 1.00 0.04 C HETATM 1349 OE1 TRP A 113 4.454 -15.189 -27.188 1.00 -0.57 O HETATM 1350 OE2 TRP A 113 5.828 -14.225 -28.606 1.00 -0.57 O HETATM 1351 H17 TRP A 113 4.202 -12.286 -28.563 1.00 0.04 H HETATM 1352 H18 TRP A 113 3.067 -13.551 -29.145 1.00 0.04 H HETATM 1353 H15 TRP A 113 2.025 -12.208 -27.416 1.00 0.03 H HETATM 1354 H16 TRP A 113 2.277 -13.890 -26.839 1.00 0.03 H HETATM 1355 H14 TRP A 113 4.409 -13.037 -25.723 1.00 0.08 H HETATM 1356 H13 TRP A 113 1.702 -12.289 -24.780 1.00 0.19 H HETATM 1357 CB TRP A 113 2.601 -11.357 -21.612 1.00 0.02 C HETATM 1358 CG TRP A 113 1.664 -11.000 -20.520 1.00 -0.04 C HETATM 1359 CD1 TRP A 113 1.750 -11.377 -19.216 1.00 0.02 C HETATM 1360 NE1 TRP A 113 0.705 -10.848 -18.503 1.00 -0.29 N HETATM 1361 CE2 TRP A 113 -0.076 -10.099 -19.346 1.00 0.06 C HETATM 1362 CD2 TRP A 113 0.503 -10.174 -20.627 1.00 -0.02 C HETATM 1363 CE3 TRP A 113 -0.112 -9.492 -21.683 1.00 -0.07 C HETATM 1364 CZ3 TRP A 113 -1.261 -8.763 -21.426 1.00 -0.08 C HETATM 1365 CH2 TRP A 113 -1.808 -8.708 -20.143 1.00 -0.08 C HETATM 1366 CZ2 TRP A 113 -1.232 -9.367 -19.089 1.00 -0.04 C HETATM 1367 H10 TRP A 113 -1.660 -9.320 -18.094 1.00 0.05 H HETATM 1368 H12 TRP A 113 -2.710 -8.130 -19.977 1.00 0.05 H HETATM 1369 H11 TRP A 113 -1.744 -8.226 -22.235 1.00 0.05 H HETATM 1370 H9 TRP A 113 0.303 -9.534 -22.683 1.00 0.05 H HETATM 1371 H8 TRP A 113 0.534 -10.990 -17.497 1.00 0.22 H HETATM 1372 H7 TRP A 113 2.534 -12.007 -18.799 1.00 0.08 H HETATM 1373 H5 TRP A 113 2.598 -10.542 -22.351 1.00 0.04 H HETATM 1374 H6 TRP A 113 3.609 -11.460 -21.184 1.00 0.04 H HETATM 1375 H4 TRP A 113 1.217 -12.585 -22.705 1.00 0.11 H HETATM 1376 H1 TRP A 113 1.677 -13.620 -20.633 1.00 0.20 H HETATM 1377 H2 TRP A 113 3.249 -13.877 -21.049 1.00 0.20 H HETATM 1378 H3 TRP A 113 2.043 -14.629 -21.881 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1303 1304 1376 1377 1378 CONECT 1304 1303 1305 1357 1375 CONECT 1305 1304 1306 1307 CONECT 1306 1305 CONECT 1307 1305 1308 1356 CONECT 1308 1307 1309 1346 1355 CONECT 1309 1308 1310 1311 CONECT 1310 1309 CONECT 1311 1309 1312 1345 CONECT 1312 1311 1313 1335 1344 CONECT 1313 1312 1314 1315 CONECT 1314 1313 CONECT 1315 1313 1316 1334 CONECT 1316 1315 1317 1320 1333 CONECT 1317 1316 1318 1319 CONECT 1318 1317 CONECT 1319 1317 CONECT 1320 1316 1321 1331 1332 CONECT 1321 1320 1322 1326 1330 CONECT 1322 1321 1323 1324 1325 CONECT 1323 1322 CONECT 1324 1322 CONECT 1325 1322 CONECT 1326 1321 1327 1328 1329 CONECT 1327 1326 CONECT 1328 1326 CONECT 1329 1326 CONECT 1330 1321 CONECT 1331 1320 CONECT 1332 1320 CONECT 1333 1316 CONECT 1334 1315 CONECT 1335 1312 1336 1342 1343 CONECT 1336 1335 1337 1340 1341 CONECT 1337 1336 1338 1339 CONECT 1338 1337 CONECT 1339 1337 CONECT 1340 1336 CONECT 1341 1336 CONECT 1342 1335 CONECT 1343 1335 CONECT 1344 1312 CONECT 1345 1311 CONECT 1346 1308 1347 1353 1354 CONECT 1347 1346 1348 1351 1352 CONECT 1348 1347 1349 1350 CONECT 1349 1348 CONECT 1350 1348 CONECT 1351 1347 CONECT 1352 1347 CONECT 1353 1346 CONECT 1354 1346 CONECT 1355 1308 CONECT 1356 1307 CONECT 1357 1304 1358 1373 1374 CONECT 1358 1357 1359 1362 CONECT 1359 1358 1360 1372 CONECT 1360 1359 1361 1371 CONECT 1361 1360 1362 1366 CONECT 1362 1358 1361 1363 CONECT 1363 1362 1364 1370 CONECT 1364 1363 1365 1369 CONECT 1365 1364 1366 1368 CONECT 1366 1361 1365 1367 CONECT 1367 1366 CONECT 1368 1365 CONECT 1369 1364 CONECT 1370 1363 CONECT 1371 1360 CONECT 1372 1359 CONECT 1373 1357 CONECT 1374 1357 CONECT 1375 1304 CONECT 1376 1303 CONECT 1377 1303 CONECT 1378 1303 MASTER 0 0 0 0 0 0 0 0 1377 1 79 9 END
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1ibc
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1jyq
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1lkk
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1lkl
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1m21
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1n51
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1pop
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1s3k
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1tl9
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1ukt
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1y3p
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2psx
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2x6y
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2x85
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2xe4
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3che
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3d3x
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3jzg
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3k0k
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3k16
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3mp6
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3nii
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3nij
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3nik
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3nil
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3nim
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3qmk
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3t1n
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3t4p
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3u3z
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3uec
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3ut5
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3uw4
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4c16
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4c1t
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4dxg
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4fgt
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4fzc
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4fzg
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4gk7
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4hp0
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4i67
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4imq
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4imz
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4in9
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4inh
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4j45
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4j46
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4j48
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5ajc
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5azf
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5btv
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5f2u
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5f90
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5izj
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5jop
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PDBbind
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5jy0
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5tdb
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5vi6
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5wxp
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PDBbind
4-mer
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Entry Information
PDB ID
5e6o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
C. elegans LGG-2
Ligand Name
4-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=76.9uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Mol.Cell Vol. 60: pp. 914-929
Ligand Properties
Formula
C
2
7
H
3
8
N
5
O
9
Molecular Weight
576.619
Exact Mass
576.267
No. of atoms
79
No. of bonds
80
Polar Surface Area
242.63
LOGP Value
2.02 (
Computed with XLOGP3
)
0.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)[NH3+])CCC(=O)O)CCC(=O)O)C
InChI String
InChI=1S/C27H37N5O9/c1-14(2)11-21(27(40)41)32-26(39)20(8-10-23(35)36)31-25(38)19(7-9-22(33)34)30-24(37)17(28)12-15-13-29-18-6-4-3-5-16(15)18/h3-6,13-14,17,19-21,29H,7-12,28H2,1-2H3,(H,30,37)(H,31,38)(H,32,39)(H,33,34)(H,35,36)(H,40,41)/p+1/t17-,19-,20-,21-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q23536
Entrez Gene ID
NCBI Entrez Gene ID:
177989
ASD
Information of known allosteric effects of PDB entries
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