Browse entries in the PDBbind-CN Database
HEADER 1PMX_COMPLEX COMPND 1PMX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 70 GLY PRO GLU THR LEU CYS GLY ALA GLU LEU VAL ASP ALA SEQRES 2 A 70 LEU GLN PHE VAL CYS GLY ASP ARG GLY PHE TYR PHE ASN SEQRES 3 A 70 LYS PRO THR GLY TYR GLY SER SER SER ARG ARG ALA PRO SEQRES 4 A 70 GLN THR GLY ILE VAL ASP GLU CYS CYS PHE ARG SER CYS SEQRES 5 A 70 ASP LEU ARG ARG LEU GLU MET TYR CYS ALA PRO LEU LYS SEQRES 6 A 70 PRO ALA LYS SER ALA HET ARG A 71 255 SSBOND 1 CYS A 6 CYS A 48 SSBOND 2 CYS A 47 CYS A 52 SSBOND 3 CYS A 18 CYS A 61 ATOM 1 N GLY A 1 4.642 -16.993 -7.871 1.00 0.00 N ATOM 2 CA GLY A 1 4.178 -16.440 -9.175 1.00 0.00 C ATOM 3 C GLY A 1 4.636 -15.003 -9.394 1.00 0.00 C ATOM 4 O GLY A 1 4.635 -14.212 -8.452 1.00 0.00 O ATOM 5 HA3 GLY A 1 3.089 -16.468 -9.199 1.00 0.00 H ATOM 6 HA2 GLY A 1 4.574 -17.060 -9.979 1.00 0.00 H ATOM 7 HN3 GLY A 1 4.263 -16.413 -7.095 1.00 0.00 H ATOM 8 HN2 GLY A 1 5.681 -16.979 -7.840 1.00 0.00 H ATOM 9 HN1 GLY A 1 4.304 -17.972 -7.771 1.00 0.00 H ATOM 10 N PRO A 2 5.038 -14.620 -10.631 1.00 0.00 N ATOM 11 CA PRO A 2 5.490 -13.254 -10.912 1.00 0.00 C ATOM 12 C PRO A 2 4.341 -12.251 -10.911 1.00 0.00 C ATOM 13 O PRO A 2 3.175 -12.627 -11.029 1.00 0.00 O ATOM 14 CB PRO A 2 6.105 -13.362 -12.308 1.00 0.00 C ATOM 15 CG PRO A 2 5.386 -14.498 -12.948 1.00 0.00 C ATOM 16 CD PRO A 2 5.086 -15.473 -11.843 1.00 0.00 C ATOM 17 HA PRO A 2 6.184 -12.891 -10.154 1.00 0.00 H ATOM 18 HD3 PRO A 2 4.129 -15.968 -12.009 1.00 0.00 H ATOM 19 HD2 PRO A 2 5.873 -16.223 -11.761 1.00 0.00 H ATOM 20 HG3 PRO A 2 6.014 -14.966 -13.706 1.00 0.00 H ATOM 21 HG2 PRO A 2 4.461 -14.150 -13.408 1.00 0.00 H ATOM 22 HB2 PRO A 2 5.948 -12.441 -12.870 1.00 0.00 H ATOM 23 HB3 PRO A 2 7.173 -13.570 -12.243 1.00 0.00 H ATOM 24 N GLU A 3 4.680 -10.972 -10.775 1.00 38.88 N ATOM 25 CA GLU A 3 3.678 -9.913 -10.757 1.00 40.66 C ATOM 26 C GLU A 3 3.676 -9.142 -12.073 1.00 36.23 C ATOM 27 O GLU A 3 4.588 -8.362 -12.348 1.00 38.90 O ATOM 28 CB GLU A 3 3.940 -8.957 -9.593 1.00 46.92 C ATOM 29 CG GLU A 3 3.752 -9.596 -8.227 1.00 61.66 C ATOM 30 CD GLU A 3 5.006 -10.287 -7.729 1.00 70.74 C ATOM 31 OE1 GLU A 3 5.939 -9.579 -7.294 1.00 75.50 O ATOM 32 OE2 GLU A 3 5.055 -11.533 -7.777 1.00 74.11 O ATOM 33 HA GLU A 3 2.699 -10.375 -10.627 1.00 0.00 H ATOM 34 HB2 GLU A 3 4.966 -8.597 -9.667 1.00 0.00 H ATOM 35 HB3 GLU A 3 3.253 -8.115 -9.677 1.00 0.00 H ATOM 36 HG2 GLU A 3 3.474 -8.820 -7.514 1.00 0.00 H ATOM 37 HG3 GLU A 3 2.950 -10.332 -8.293 1.00 0.00 H ATOM 38 H GLU A 3 5.685 -10.721 -10.679 1.00 0.00 H ATOM 39 N THR A 4 2.646 -9.366 -12.884 1.00 31.38 N ATOM 40 CA THR A 4 2.524 -8.692 -14.172 1.00 24.88 C ATOM 41 C THR A 4 1.147 -8.051 -14.319 1.00 20.71 C ATOM 42 O THR A 4 0.258 -8.276 -13.500 1.00 19.97 O ATOM 43 CB THR A 4 2.769 -9.678 -15.317 1.00 23.86 C ATOM 44 OG1 THR A 4 1.643 -10.516 -15.505 1.00 30.08 O ATOM 45 CG2 THR A 4 3.973 -10.568 -15.097 1.00 25.92 C ATOM 46 HA THR A 4 3.278 -7.906 -14.216 1.00 0.00 H ATOM 47 HB THR A 4 2.953 -9.059 -16.195 1.00 0.00 H ATOM 48 HG1 THR A 4 1.822 -11.145 -16.248 1.00 0.00 H ATOM 49 HG23 THR A 4 4.858 -9.949 -14.949 1.00 0.00 H ATOM 50 HG21 THR A 4 3.809 -11.187 -14.215 1.00 0.00 H ATOM 51 HG22 THR A 4 4.116 -11.206 -15.969 1.00 0.00 H ATOM 52 H THR A 4 1.909 -10.039 -12.592 1.00 0.00 H ATOM 53 N LEU A 5 0.978 -7.248 -15.367 1.00 19.32 N ATOM 54 CA LEU A 5 -0.292 -6.573 -15.613 1.00 15.87 C ATOM 55 C LEU A 5 -0.745 -6.761 -17.058 1.00 19.16 C ATOM 56 O LEU A 5 -0.149 -6.211 -17.984 1.00 20.58 O ATOM 57 CB LEU A 5 -0.167 -5.081 -15.299 1.00 22.19 C ATOM 58 CG LEU A 5 -1.455 -4.407 -14.824 1.00 28.27 C ATOM 59 CD1 LEU A 5 -1.843 -4.914 -13.445 1.00 23.45 C ATOM 60 CD2 LEU A 5 -1.289 -2.895 -14.811 1.00 25.44 C ATOM 61 HA LEU A 5 -1.041 -7.018 -14.958 1.00 0.00 H ATOM 62 HB2 LEU A 5 0.584 -4.962 -14.518 1.00 0.00 H ATOM 63 HB3 LEU A 5 0.167 -4.572 -16.203 1.00 0.00 H ATOM 64 HG LEU A 5 -2.255 -4.659 -15.520 1.00 0.00 H ATOM 65 HD21 LEU A 5 -0.477 -2.626 -14.136 1.00 0.00 H ATOM 66 HD22 LEU A 5 -1.056 -2.548 -15.818 1.00 0.00 H ATOM 67 HD23 LEU A 5 -2.215 -2.432 -14.470 1.00 0.00 H ATOM 68 HD11 LEU A 5 -2.001 -5.992 -13.487 1.00 0.00 H ATOM 69 HD12 LEU A 5 -1.044 -4.690 -12.739 1.00 0.00 H ATOM 70 HD13 LEU A 5 -2.762 -4.423 -13.124 1.00 0.00 H ATOM 71 H LEU A 5 1.769 -7.098 -16.025 1.00 0.00 H ATOM 72 N CYS A 6 -1.806 -7.541 -17.244 1.00 19.74 N ATOM 73 CA CYS A 6 -2.344 -7.799 -18.577 1.00 21.84 C ATOM 74 C CYS A 6 -3.869 -7.804 -18.553 1.00 16.04 C ATOM 75 O CYS A 6 -4.484 -7.958 -17.499 1.00 18.05 O ATOM 76 CB CYS A 6 -1.828 -9.137 -19.110 1.00 22.37 C ATOM 77 SG CYS A 6 -0.024 -9.352 -18.970 1.00 32.91 S ATOM 78 HA CYS A 6 -2.009 -7.000 -19.238 1.00 0.00 H ATOM 79 HB2 CYS A 6 -2.101 -9.214 -20.162 1.00 0.00 H ATOM 80 HB3 CYS A 6 -2.312 -9.938 -18.551 1.00 0.00 H ATOM 81 H CYS A 6 -2.264 -7.978 -16.419 1.00 0.00 H ATOM 82 N GLY A 7 -4.473 -7.640 -19.725 1.00 19.09 N ATOM 83 CA GLY A 7 -5.922 -7.633 -19.820 1.00 17.15 C ATOM 84 C GLY A 7 -6.542 -6.397 -19.200 1.00 18.61 C ATOM 85 O GLY A 7 -5.993 -5.299 -19.301 1.00 15.50 O ATOM 86 HA3 GLY A 7 -6.310 -8.513 -19.307 1.00 0.00 H ATOM 87 HA2 GLY A 7 -6.203 -7.674 -20.872 1.00 0.00 H ATOM 88 H GLY A 7 -3.901 -7.515 -20.585 1.00 0.00 H ATOM 89 N ALA A 8 -7.693 -6.575 -18.559 1.00 13.90 N ATOM 90 CA ALA A 8 -8.396 -5.466 -17.921 1.00 15.72 C ATOM 91 C ALA A 8 -7.530 -4.804 -16.857 1.00 14.12 C ATOM 92 O ALA A 8 -7.641 -3.603 -16.614 1.00 14.45 O ATOM 93 CB ALA A 8 -9.702 -5.953 -17.312 1.00 21.73 C ATOM 94 HA ALA A 8 -8.617 -4.721 -18.685 1.00 0.00 H ATOM 95 HB1 ALA A 8 -10.333 -6.372 -18.096 1.00 0.00 H ATOM 96 HB2 ALA A 8 -9.490 -6.719 -16.566 1.00 0.00 H ATOM 97 HB3 ALA A 8 -10.216 -5.116 -16.840 1.00 0.00 H ATOM 98 H ALA A 8 -8.103 -7.529 -18.511 1.00 0.00 H ATOM 99 N GLU A 9 -6.671 -5.594 -16.221 1.00 15.00 N ATOM 100 CA GLU A 9 -5.789 -5.080 -15.180 1.00 21.86 C ATOM 101 C GLU A 9 -4.874 -3.991 -15.728 1.00 19.13 C ATOM 102 O GLU A 9 -4.630 -2.980 -15.069 1.00 15.61 O ATOM 103 CB GLU A 9 -4.955 -6.215 -14.586 1.00 23.00 C ATOM 104 CG GLU A 9 -5.711 -7.060 -13.574 1.00 33.94 C ATOM 105 CD GLU A 9 -4.895 -8.232 -13.066 1.00 53.09 C ATOM 106 OE1 GLU A 9 -3.807 -7.997 -12.500 1.00 50.65 O ATOM 107 OE2 GLU A 9 -5.346 -9.384 -13.233 1.00 63.42 O ATOM 108 HA GLU A 9 -6.408 -4.644 -14.396 1.00 0.00 H ATOM 109 HB2 GLU A 9 -4.625 -6.863 -15.398 1.00 0.00 H ATOM 110 HB3 GLU A 9 -4.085 -5.782 -14.092 1.00 0.00 H ATOM 111 HG2 GLU A 9 -5.983 -6.430 -12.727 1.00 0.00 H ATOM 112 HG3 GLU A 9 -6.616 -7.443 -14.045 1.00 0.00 H ATOM 113 H GLU A 9 -6.627 -6.602 -16.472 1.00 0.00 H ATOM 114 N LEU A 10 -4.372 -4.199 -16.943 1.00 16.50 N ATOM 115 CA LEU A 10 -3.489 -3.230 -17.580 1.00 19.32 C ATOM 116 C LEU A 10 -4.260 -1.978 -17.985 1.00 20.39 C ATOM 117 O LEU A 10 -3.820 -0.857 -17.731 1.00 13.49 O ATOM 118 CB LEU A 10 -2.817 -3.850 -18.808 1.00 16.05 C ATOM 119 CG LEU A 10 -1.803 -2.950 -19.515 1.00 18.02 C ATOM 120 CD1 LEU A 10 -0.752 -2.455 -18.532 1.00 17.22 C ATOM 121 CD2 LEU A 10 -1.147 -3.692 -20.670 1.00 17.33 C ATOM 122 HA LEU A 10 -2.721 -2.946 -16.860 1.00 0.00 H ATOM 123 HB2 LEU A 10 -2.301 -4.756 -18.490 1.00 0.00 H ATOM 124 HB3 LEU A 10 -3.596 -4.110 -19.525 1.00 0.00 H ATOM 125 HG LEU A 10 -2.331 -2.085 -19.917 1.00 0.00 H ATOM 126 HD21 LEU A 10 -0.633 -4.574 -20.288 1.00 0.00 H ATOM 127 HD22 LEU A 10 -1.911 -3.996 -21.385 1.00 0.00 H ATOM 128 HD23 LEU A 10 -0.429 -3.035 -21.161 1.00 0.00 H ATOM 129 HD11 LEU A 10 -1.237 -1.887 -17.739 1.00 0.00 H ATOM 130 HD12 LEU A 10 -0.229 -3.309 -18.101 1.00 0.00 H ATOM 131 HD13 LEU A 10 -0.040 -1.816 -19.055 1.00 0.00 H ATOM 132 H LEU A 10 -4.616 -5.074 -17.450 1.00 0.00 H ATOM 133 N VAL A 11 -5.414 -2.178 -18.614 1.00 16.73 N ATOM 134 CA VAL A 11 -6.248 -1.066 -19.050 1.00 13.49 C ATOM 135 C VAL A 11 -6.841 -0.323 -17.859 1.00 13.78 C ATOM 136 O VAL A 11 -7.032 0.893 -17.903 1.00 11.61 O ATOM 137 CB VAL A 11 -7.392 -1.544 -19.965 1.00 16.29 C ATOM 138 CG1 VAL A 11 -8.125 -0.356 -20.570 1.00 19.22 C ATOM 139 CG2 VAL A 11 -6.857 -2.461 -21.054 1.00 17.93 C ATOM 140 HA VAL A 11 -5.603 -0.390 -19.612 1.00 0.00 H ATOM 141 HB VAL A 11 -8.102 -2.110 -19.362 1.00 0.00 H ATOM 142 HG11 VAL A 11 -8.543 0.257 -19.771 1.00 0.00 H ATOM 143 HG12 VAL A 11 -7.426 0.239 -21.158 1.00 0.00 H ATOM 144 HG13 VAL A 11 -8.929 -0.715 -21.213 1.00 0.00 H ATOM 145 HG21 VAL A 11 -6.125 -1.921 -21.655 1.00 0.00 H ATOM 146 HG22 VAL A 11 -6.383 -3.329 -20.596 1.00 0.00 H ATOM 147 HG23 VAL A 11 -7.680 -2.787 -21.689 1.00 0.00 H ATOM 148 H VAL A 11 -5.729 -3.152 -18.799 1.00 0.00 H ATOM 149 N ASP A 12 -7.132 -1.063 -16.794 1.00 14.34 N ATOM 150 CA ASP A 12 -7.705 -0.475 -15.588 1.00 15.14 C ATOM 151 C ASP A 12 -6.728 0.503 -14.943 1.00 11.41 C ATOM 152 O ASP A 12 -7.118 1.582 -14.499 1.00 14.02 O ATOM 153 CB ASP A 12 -8.082 -1.571 -14.590 1.00 14.66 C ATOM 154 CG ASP A 12 -9.412 -2.222 -14.921 1.00 27.52 C ATOM 155 OD1 ASP A 12 -10.336 -1.501 -15.351 1.00 29.53 O ATOM 156 OD2 ASP A 12 -9.528 -3.455 -14.752 1.00 31.00 O ATOM 157 HA ASP A 12 -8.604 0.072 -15.872 1.00 0.00 H ATOM 158 HB2 ASP A 12 -7.305 -2.336 -14.600 1.00 0.00 H ATOM 159 HB3 ASP A 12 -8.145 -1.132 -13.594 1.00 0.00 H ATOM 160 H ASP A 12 -6.947 -2.086 -16.821 1.00 0.00 H ATOM 161 N ALA A 13 -5.457 0.117 -14.894 1.00 16.37 N ATOM 162 CA ALA A 13 -4.426 0.960 -14.302 1.00 18.28 C ATOM 163 C ALA A 13 -4.255 2.254 -15.092 1.00 17.95 C ATOM 164 O ALA A 13 -4.244 3.344 -14.521 1.00 15.70 O ATOM 165 CB ALA A 13 -3.107 0.208 -14.224 1.00 15.65 C ATOM 166 HA ALA A 13 -4.741 1.220 -13.292 1.00 0.00 H ATOM 167 HB1 ALA A 13 -3.234 -0.683 -13.609 1.00 0.00 H ATOM 168 HB2 ALA A 13 -2.796 -0.083 -15.227 1.00 0.00 H ATOM 169 HB3 ALA A 13 -2.349 0.852 -13.779 1.00 0.00 H ATOM 170 H ALA A 13 -5.192 -0.809 -15.287 1.00 0.00 H ATOM 171 N LEU A 14 -4.123 2.125 -16.409 1.00 11.92 N ATOM 172 CA LEU A 14 -3.954 3.286 -17.276 1.00 15.01 C ATOM 173 C LEU A 14 -5.150 4.225 -17.167 1.00 15.56 C ATOM 174 O LEU A 14 -4.995 5.447 -17.148 1.00 18.96 O ATOM 175 CB LEU A 14 -3.765 2.841 -18.729 1.00 13.58 C ATOM 176 CG LEU A 14 -2.318 2.562 -19.135 1.00 15.59 C ATOM 177 CD1 LEU A 14 -2.248 2.098 -20.581 1.00 17.99 C ATOM 178 CD2 LEU A 14 -1.461 3.804 -18.928 1.00 22.05 C ATOM 179 HA LEU A 14 -3.064 3.825 -16.952 1.00 0.00 H ATOM 180 HB2 LEU A 14 -4.341 1.929 -18.881 1.00 0.00 H ATOM 181 HB3 LEU A 14 -4.153 3.627 -19.377 1.00 0.00 H ATOM 182 HG LEU A 14 -1.929 1.764 -18.502 1.00 0.00 H ATOM 183 HD21 LEU A 14 -1.851 4.619 -19.538 1.00 0.00 H ATOM 184 HD22 LEU A 14 -1.487 4.091 -17.877 1.00 0.00 H ATOM 185 HD23 LEU A 14 -0.434 3.588 -19.222 1.00 0.00 H ATOM 186 HD11 LEU A 14 -2.830 1.184 -20.697 1.00 0.00 H ATOM 187 HD12 LEU A 14 -2.654 2.874 -21.230 1.00 0.00 H ATOM 188 HD13 LEU A 14 -1.209 1.905 -20.849 1.00 0.00 H ATOM 189 H LEU A 14 -4.141 1.174 -16.831 1.00 0.00 H ATOM 190 N GLN A 15 -6.344 3.647 -17.086 1.00 12.18 N ATOM 191 CA GLN A 15 -7.566 4.434 -16.971 1.00 14.03 C ATOM 192 C GLN A 15 -7.706 5.010 -15.566 1.00 18.29 C ATOM 193 O GLN A 15 -8.257 6.095 -15.380 1.00 18.76 O ATOM 194 CB GLN A 15 -8.785 3.573 -17.307 1.00 17.47 C ATOM 195 CG GLN A 15 -8.978 3.343 -18.797 1.00 23.70 C ATOM 196 CD GLN A 15 -9.830 4.415 -19.446 1.00 32.76 C ATOM 197 OE1 GLN A 15 -10.682 5.025 -18.798 1.00 28.85 O ATOM 198 NE2 GLN A 15 -9.606 4.650 -20.733 1.00 29.69 N ATOM 199 HA GLN A 15 -7.508 5.260 -17.680 1.00 0.00 H ATOM 200 HB2 GLN A 15 -8.667 2.604 -16.821 1.00 0.00 H ATOM 201 HB3 GLN A 15 -9.674 4.068 -16.917 1.00 0.00 H ATOM 202 HG2 GLN A 15 -8.000 3.334 -19.279 1.00 0.00 H ATOM 203 HG3 GLN A 15 -9.462 2.377 -18.942 1.00 0.00 H ATOM 204 HE22 GLN A 15 -8.876 4.111 -21.241 1.00 0.00 H ATOM 205 HE21 GLN A 15 -10.160 5.374 -21.234 1.00 0.00 H ATOM 206 H GLN A 15 -6.408 2.609 -17.105 1.00 0.00 H ATOM 207 N PHE A 16 -7.200 4.278 -14.578 1.00 18.23 N ATOM 208 CA PHE A 16 -7.265 4.716 -13.189 1.00 17.04 C ATOM 209 C PHE A 16 -6.205 5.777 -12.904 1.00 15.52 C ATOM 210 O PHE A 16 -6.408 6.666 -12.079 1.00 20.37 O ATOM 211 CB PHE A 16 -7.077 3.522 -12.249 1.00 18.66 C ATOM 212 CG PHE A 16 -7.171 3.879 -10.793 1.00 18.49 C ATOM 213 CD1 PHE A 16 -8.273 4.561 -10.303 1.00 23.45 C ATOM 214 CD2 PHE A 16 -6.158 3.532 -9.915 1.00 21.34 C ATOM 215 CE1 PHE A 16 -8.363 4.891 -8.965 1.00 27.25 C ATOM 216 CE2 PHE A 16 -6.242 3.859 -8.575 1.00 21.50 C ATOM 217 CZ PHE A 16 -7.346 4.539 -8.099 1.00 24.95 C ATOM 218 HA PHE A 16 -8.247 5.155 -13.016 1.00 0.00 H ATOM 219 HB2 PHE A 16 -7.846 2.783 -12.473 1.00 0.00 H ATOM 220 HB3 PHE A 16 -6.094 3.089 -12.435 1.00 0.00 H ATOM 221 HD2 PHE A 16 -5.285 2.995 -10.285 1.00 0.00 H ATOM 222 HE2 PHE A 16 -5.438 3.581 -7.894 1.00 0.00 H ATOM 223 HZ PHE A 16 -7.415 4.797 -7.042 1.00 0.00 H ATOM 224 HE1 PHE A 16 -9.235 5.428 -8.593 1.00 0.00 H ATOM 225 HD1 PHE A 16 -9.079 4.840 -10.982 1.00 0.00 H ATOM 226 H PHE A 16 -6.746 3.369 -14.802 1.00 0.00 H ATOM 227 N VAL A 17 -5.074 5.671 -13.593 1.00 16.12 N ATOM 228 CA VAL A 17 -3.979 6.619 -13.416 1.00 17.94 C ATOM 229 C VAL A 17 -4.151 7.825 -14.336 1.00 21.98 C ATOM 230 O VAL A 17 -4.388 8.942 -13.873 1.00 24.05 O ATOM 231 CB VAL A 17 -2.611 5.956 -13.694 1.00 21.28 C ATOM 232 CG1 VAL A 17 -1.467 6.912 -13.375 1.00 25.51 C ATOM 233 CG2 VAL A 17 -2.467 4.665 -12.898 1.00 22.15 C ATOM 234 HA VAL A 17 -4.004 6.951 -12.378 1.00 0.00 H ATOM 235 HB VAL A 17 -2.564 5.713 -14.756 1.00 0.00 H ATOM 236 HG11 VAL A 17 -1.557 7.804 -13.995 1.00 0.00 H ATOM 237 HG12 VAL A 17 -1.513 7.193 -12.323 1.00 0.00 H ATOM 238 HG13 VAL A 17 -0.516 6.420 -13.580 1.00 0.00 H ATOM 239 HG21 VAL A 17 -2.542 4.886 -11.833 1.00 0.00 H ATOM 240 HG22 VAL A 17 -3.259 3.973 -13.184 1.00 0.00 H ATOM 241 HG23 VAL A 17 -1.497 4.216 -13.109 1.00 0.00 H ATOM 242 H VAL A 17 -4.967 4.893 -14.275 1.00 0.00 H ATOM 243 N CYS A 18 -4.025 7.592 -15.637 1.00 17.42 N ATOM 244 CA CYS A 18 -4.162 8.658 -16.623 1.00 20.54 C ATOM 245 C CYS A 18 -5.612 9.124 -16.724 1.00 26.67 C ATOM 246 O CYS A 18 -5.899 10.316 -16.631 1.00 24.96 O ATOM 247 CB CYS A 18 -3.668 8.180 -17.991 1.00 16.00 C ATOM 248 SG CYS A 18 -2.081 7.283 -17.940 1.00 29.49 S ATOM 249 HA CYS A 18 -3.552 9.501 -16.299 1.00 0.00 H ATOM 250 HB2 CYS A 18 -3.548 9.051 -18.635 1.00 0.00 H ATOM 251 HB3 CYS A 18 -4.422 7.517 -18.415 1.00 0.00 H ATOM 252 H CYS A 18 -3.823 6.625 -15.961 1.00 0.00 H ATOM 253 N GLY A 19 -6.522 8.175 -16.909 1.00 32.94 N ATOM 254 CA GLY A 19 -7.931 8.510 -17.014 1.00 31.76 C ATOM 255 C GLY A 19 -8.256 9.313 -18.259 1.00 37.69 C ATOM 256 O GLY A 19 -8.155 8.806 -19.376 1.00 40.61 O ATOM 257 HA3 GLY A 19 -8.216 9.094 -16.139 1.00 0.00 H ATOM 258 HA2 GLY A 19 -8.508 7.585 -17.036 1.00 0.00 H ATOM 259 H GLY A 19 -6.223 7.182 -16.979 1.00 0.00 H ATOM 260 N ASP A 20 -8.657 10.566 -18.064 1.00 39.20 N ATOM 261 CA ASP A 20 -9.010 11.441 -19.179 1.00 47.44 C ATOM 262 C ASP A 20 -7.785 12.093 -19.838 1.00 37.42 C ATOM 263 O ASP A 20 -7.939 12.957 -20.701 1.00 38.02 O ATOM 264 CB ASP A 20 -9.974 12.528 -18.703 1.00 60.22 C ATOM 265 CG ASP A 20 -10.795 13.112 -19.837 1.00 73.16 C ATOM 266 OD1 ASP A 20 -11.871 12.554 -20.136 1.00 79.05 O ATOM 267 OD2 ASP A 20 -10.362 14.125 -20.424 1.00 78.87 O ATOM 268 HA ASP A 20 -9.487 10.815 -19.933 1.00 0.00 H ATOM 269 HB2 ASP A 20 -10.652 12.097 -17.966 1.00 0.00 H ATOM 270 HB3 ASP A 20 -9.398 13.329 -18.240 1.00 0.00 H ATOM 271 H ASP A 20 -8.721 10.932 -17.093 1.00 0.00 H ATOM 272 N ARG A 21 -6.572 11.691 -19.448 1.00 26.27 N ATOM 273 CA ARG A 21 -5.366 12.264 -20.030 1.00 33.90 C ATOM 274 C ARG A 21 -5.116 11.702 -21.428 1.00 36.17 C ATOM 275 O ARG A 21 -4.558 12.381 -22.289 1.00 37.51 O ATOM 276 CB ARG A 21 -4.156 11.986 -19.136 1.00 36.79 C ATOM 277 CG ARG A 21 -4.338 12.458 -17.697 1.00 50.60 C ATOM 278 CD ARG A 21 -3.417 13.618 -17.346 1.00 46.09 C ATOM 279 NE ARG A 21 -2.339 13.206 -16.444 1.00 44.95 N ATOM 280 CZ ARG A 21 -1.520 14.052 -15.814 1.00 42.44 C ATOM 281 NH1 ARG A 21 -1.641 15.366 -15.975 1.00 49.97 N ATOM 282 NH2 ARG A 21 -0.574 13.577 -15.017 1.00 34.61 N ATOM 283 HA ARG A 21 -5.511 13.342 -20.108 1.00 0.00 H ATOM 284 HB2 ARG A 21 -3.974 10.911 -19.126 1.00 0.00 H ATOM 285 HB3 ARG A 21 -3.290 12.496 -19.559 1.00 0.00 H ATOM 286 HG2 ARG A 21 -5.371 12.777 -17.561 1.00 0.00 H ATOM 287 HG3 ARG A 21 -4.125 11.626 -17.026 1.00 0.00 H ATOM 288 HD2 ARG A 21 -4.003 14.399 -16.862 1.00 0.00 H ATOM 289 HD3 ARG A 21 -2.979 14.010 -18.264 1.00 0.00 H ATOM 290 HE ARG A 21 -2.202 12.188 -16.284 1.00 0.00 H ATOM 291 HH12 ARG A 21 -0.996 16.012 -15.478 1.00 0.00 H ATOM 292 HH11 ARG A 21 -2.381 15.748 -16.598 1.00 0.00 H ATOM 293 HH22 ARG A 21 0.067 14.231 -14.524 1.00 0.00 H ATOM 294 HH21 ARG A 21 -0.472 12.550 -14.885 1.00 0.00 H ATOM 295 H ARG A 21 -6.487 10.957 -18.717 1.00 0.00 H ATOM 296 N GLY A 22 -5.529 10.457 -21.642 1.00 35.48 N ATOM 297 CA GLY A 22 -5.334 9.824 -22.935 1.00 28.95 C ATOM 298 C GLY A 22 -4.015 9.085 -23.017 1.00 24.58 C ATOM 299 O GLY A 22 -3.064 9.565 -23.636 1.00 22.09 O ATOM 300 HA3 GLY A 22 -5.355 10.591 -23.709 1.00 0.00 H ATOM 301 HA2 GLY A 22 -6.145 9.116 -23.105 1.00 0.00 H ATOM 302 H GLY A 22 -5.996 9.931 -20.876 1.00 0.00 H ATOM 303 N PHE A 23 -3.955 7.918 -22.386 1.00 15.51 N ATOM 304 CA PHE A 23 -2.740 7.112 -22.379 1.00 15.18 C ATOM 305 C PHE A 23 -2.457 6.523 -23.757 1.00 20.77 C ATOM 306 O PHE A 23 -3.375 6.258 -24.534 1.00 24.08 O ATOM 307 CB PHE A 23 -2.853 5.987 -21.349 1.00 20.92 C ATOM 308 CG PHE A 23 -4.107 5.170 -21.481 1.00 20.47 C ATOM 309 CD1 PHE A 23 -4.174 4.117 -22.378 1.00 24.30 C ATOM 310 CD2 PHE A 23 -5.219 5.455 -20.705 1.00 20.21 C ATOM 311 CE1 PHE A 23 -5.325 3.363 -22.500 1.00 25.52 C ATOM 312 CE2 PHE A 23 -6.373 4.705 -20.820 1.00 20.52 C ATOM 313 CZ PHE A 23 -6.426 3.657 -21.719 1.00 22.56 C ATOM 314 HA PHE A 23 -1.911 7.766 -22.109 1.00 0.00 H ATOM 315 HB2 PHE A 23 -1.996 5.324 -21.468 1.00 0.00 H ATOM 316 HB3 PHE A 23 -2.833 6.429 -20.353 1.00 0.00 H ATOM 317 HD2 PHE A 23 -5.183 6.281 -19.995 1.00 0.00 H ATOM 318 HE2 PHE A 23 -7.240 4.939 -20.203 1.00 0.00 H ATOM 319 HZ PHE A 23 -7.335 3.063 -21.812 1.00 0.00 H ATOM 320 HE1 PHE A 23 -5.364 2.538 -23.211 1.00 0.00 H ATOM 321 HD1 PHE A 23 -3.308 3.880 -22.996 1.00 0.00 H ATOM 322 H PHE A 23 -4.797 7.570 -21.884 1.00 0.00 H ATOM 323 N TYR A 24 -1.178 6.318 -24.048 1.00 20.54 N ATOM 324 CA TYR A 24 -0.756 5.754 -25.329 1.00 25.88 C ATOM 325 C TYR A 24 0.107 4.515 -25.108 1.00 24.71 C ATOM 326 O TYR A 24 0.948 4.484 -24.210 1.00 31.49 O ATOM 327 CB TYR A 24 0.015 6.790 -26.161 1.00 33.47 C ATOM 328 CG TYR A 24 0.953 7.667 -25.356 1.00 31.26 C ATOM 329 CD1 TYR A 24 2.130 7.158 -24.823 1.00 41.08 C ATOM 330 CD2 TYR A 24 0.657 9.006 -25.132 1.00 43.74 C ATOM 331 CE1 TYR A 24 2.985 7.959 -24.090 1.00 39.08 C ATOM 332 CE2 TYR A 24 1.508 9.812 -24.400 1.00 47.84 C ATOM 333 CZ TYR A 24 2.670 9.284 -23.881 1.00 44.15 C ATOM 334 OH TYR A 24 3.519 10.084 -23.152 1.00 56.07 O ATOM 335 HA TYR A 24 -1.652 5.468 -25.881 1.00 0.00 H ATOM 336 HB3 TYR A 24 -0.709 7.434 -26.661 1.00 0.00 H ATOM 337 HB2 TYR A 24 0.603 6.258 -26.909 1.00 0.00 H ATOM 338 HD2 TYR A 24 -0.261 9.428 -25.540 1.00 0.00 H ATOM 339 HE2 TYR A 24 1.261 10.861 -24.234 1.00 0.00 H ATOM 340 HE1 TYR A 24 3.905 7.544 -23.679 1.00 0.00 H ATOM 341 HD1 TYR A 24 2.383 6.110 -24.985 1.00 0.00 H ATOM 342 HH TYR A 24 3.040 10.437 -22.361 1.00 0.00 H ATOM 343 H TYR A 24 -0.454 6.566 -23.343 1.00 0.00 H ATOM 344 N PHE A 25 -0.116 3.493 -25.925 1.00 21.41 N ATOM 345 CA PHE A 25 0.633 2.248 -25.814 1.00 18.28 C ATOM 346 C PHE A 25 2.025 2.383 -26.424 1.00 20.94 C ATOM 347 O PHE A 25 3.009 1.908 -25.858 1.00 21.90 O ATOM 348 CB PHE A 25 -0.126 1.111 -26.499 1.00 22.56 C ATOM 349 CG PHE A 25 -1.122 0.431 -25.602 1.00 22.04 C ATOM 350 CD1 PHE A 25 -2.310 1.058 -25.261 1.00 22.70 C ATOM 351 CD2 PHE A 25 -0.869 -0.834 -25.098 1.00 29.30 C ATOM 352 CE1 PHE A 25 -3.225 0.435 -24.436 1.00 25.64 C ATOM 353 CE2 PHE A 25 -1.781 -1.463 -24.273 1.00 28.31 C ATOM 354 CZ PHE A 25 -2.962 -0.827 -23.941 1.00 27.30 C ATOM 355 HA PHE A 25 0.745 2.019 -24.754 1.00 0.00 H ATOM 356 HB2 PHE A 25 -0.657 1.519 -27.359 1.00 0.00 H ATOM 357 HB3 PHE A 25 0.596 0.369 -26.839 1.00 0.00 H ATOM 358 HD2 PHE A 25 0.062 -1.340 -25.356 1.00 0.00 H ATOM 359 HE2 PHE A 25 -1.569 -2.459 -23.885 1.00 0.00 H ATOM 360 HZ PHE A 25 -3.684 -1.320 -23.290 1.00 0.00 H ATOM 361 HE1 PHE A 25 -4.155 0.939 -24.175 1.00 0.00 H ATOM 362 HD1 PHE A 25 -2.524 2.054 -25.648 1.00 0.00 H ATOM 363 H PHE A 25 -0.843 3.583 -26.663 1.00 0.00 H ATOM 364 N ASN A 26 2.101 3.026 -27.583 1.00 25.83 N ATOM 365 CA ASN A 26 3.376 3.213 -28.266 1.00 27.61 C ATOM 366 C ASN A 26 3.939 4.608 -28.014 1.00 23.53 C ATOM 367 O ASN A 26 3.311 5.614 -28.344 1.00 23.60 O ATOM 368 CB ASN A 26 3.212 2.981 -29.769 1.00 28.31 C ATOM 369 CG ASN A 26 4.537 2.715 -30.458 1.00 29.50 C ATOM 370 OD1 ASN A 26 5.039 3.551 -31.210 1.00 38.35 O ATOM 371 ND2 ASN A 26 5.109 1.544 -30.206 1.00 32.35 N ATOM 372 HA ASN A 26 4.080 2.484 -27.865 1.00 0.00 H ATOM 373 HB2 ASN A 26 2.558 2.122 -29.922 1.00 0.00 H ATOM 374 HB3 ASN A 26 2.757 3.866 -30.213 1.00 0.00 H ATOM 375 HD22 ASN A 26 4.649 0.868 -29.564 1.00 0.00 H ATOM 376 HD21 ASN A 26 6.018 1.303 -30.651 1.00 0.00 H ATOM 377 H ASN A 26 1.233 3.404 -28.013 1.00 0.00 H ATOM 378 N LYS A 27 5.134 4.658 -27.433 1.00 26.93 N ATOM 379 CA LYS A 27 5.796 5.924 -27.141 1.00 33.05 C ATOM 380 C LYS A 27 7.320 5.763 -27.177 1.00 31.68 C ATOM 381 O LYS A 27 7.832 4.683 -26.883 1.00 31.77 O ATOM 382 CB LYS A 27 5.357 6.474 -25.777 1.00 34.53 C ATOM 383 CG LYS A 27 5.290 5.434 -24.665 1.00 37.05 C ATOM 384 CD LYS A 27 6.548 5.439 -23.812 1.00 39.60 C ATOM 385 CE LYS A 27 6.478 6.486 -22.710 1.00 42.35 C ATOM 386 NZ LYS A 27 7.782 7.184 -22.521 1.00 39.82 N ATOM 387 HA LYS A 27 5.501 6.637 -27.912 1.00 0.00 H ATOM 388 HB2 LYS A 27 6.065 7.247 -25.478 1.00 0.00 H ATOM 389 HB3 LYS A 27 4.367 6.915 -25.891 1.00 0.00 H ATOM 390 HG2 LYS A 27 4.431 5.651 -24.030 1.00 0.00 H ATOM 391 HG3 LYS A 27 5.170 4.447 -25.111 1.00 0.00 H ATOM 392 HD2 LYS A 27 6.671 4.456 -23.358 1.00 0.00 H ATOM 393 HD3 LYS A 27 7.406 5.653 -24.449 1.00 0.00 H ATOM 394 HE2 LYS A 27 6.201 5.997 -21.776 1.00 0.00 H ATOM 395 HE3 LYS A 27 5.718 7.223 -22.972 1.00 0.00 H ATOM 396 HZ1 LYS A 27 8.512 6.489 -22.264 1.00 0.00 H ATOM 397 HZ2 LYS A 27 8.051 7.660 -23.406 1.00 0.00 H ATOM 398 HZ3 LYS A 27 7.690 7.888 -21.761 1.00 0.00 H ATOM 399 H LYS A 27 5.610 3.769 -27.180 1.00 0.00 H ATOM 400 N PRO A 28 8.078 6.826 -27.541 1.00 35.47 N ATOM 401 CA PRO A 28 9.544 6.750 -27.606 1.00 36.66 C ATOM 402 C PRO A 28 10.172 6.478 -26.244 1.00 36.18 C ATOM 403 O PRO A 28 9.546 6.684 -25.205 1.00 36.79 O ATOM 404 CB PRO A 28 9.962 8.134 -28.120 1.00 40.26 C ATOM 405 CG PRO A 28 8.814 9.027 -27.802 1.00 40.80 C ATOM 406 CD PRO A 28 7.587 8.172 -27.920 1.00 34.96 C ATOM 407 HA PRO A 28 9.875 5.930 -28.243 1.00 0.00 H ATOM 408 HD3 PRO A 28 6.807 8.511 -27.238 1.00 0.00 H ATOM 409 HD2 PRO A 28 7.203 8.176 -28.940 1.00 0.00 H ATOM 410 HG3 PRO A 28 8.770 9.855 -28.509 1.00 0.00 H ATOM 411 HG2 PRO A 28 8.907 9.420 -26.790 1.00 0.00 H ATOM 412 HB2 PRO A 28 10.865 8.475 -27.613 1.00 0.00 H ATOM 413 HB3 PRO A 28 10.140 8.106 -29.195 1.00 0.00 H ATOM 414 N THR A 29 11.417 6.009 -26.260 1.00 34.63 N ATOM 415 CA THR A 29 12.136 5.705 -25.030 1.00 41.92 C ATOM 416 C THR A 29 13.639 5.876 -25.226 1.00 35.36 C ATOM 417 O THR A 29 14.315 6.497 -24.405 1.00 34.58 O ATOM 418 CB THR A 29 11.830 4.276 -24.576 1.00 51.94 C ATOM 419 OG1 THR A 29 12.167 3.345 -25.589 1.00 52.79 O ATOM 420 CG2 THR A 29 10.374 4.060 -24.219 1.00 55.75 C ATOM 421 HA THR A 29 11.804 6.402 -24.261 1.00 0.00 H ATOM 422 HB THR A 29 12.433 4.122 -23.681 1.00 0.00 H ATOM 423 HG1 THR A 29 11.961 2.429 -25.275 1.00 0.00 H ATOM 424 HG23 THR A 29 10.084 4.764 -23.439 1.00 0.00 H ATOM 425 HG21 THR A 29 9.757 4.220 -25.103 1.00 0.00 H ATOM 426 HG22 THR A 29 10.237 3.040 -23.859 1.00 0.00 H ATOM 427 H THR A 29 11.889 5.856 -27.174 1.00 0.00 H ATOM 428 N GLY A 30 14.155 5.320 -26.317 1.00 33.36 N ATOM 429 CA GLY A 30 15.575 5.421 -26.604 1.00 33.97 C ATOM 430 C GLY A 30 15.867 6.333 -27.781 1.00 31.86 C ATOM 431 O GLY A 30 16.206 7.501 -27.598 1.00 34.94 O ATOM 432 HA3 GLY A 30 15.958 4.426 -26.829 1.00 0.00 H ATOM 433 HA2 GLY A 30 16.083 5.813 -25.723 1.00 0.00 H ATOM 434 H GLY A 30 13.534 4.806 -26.974 1.00 0.00 H ATOM 435 N TYR A 31 15.733 5.798 -28.989 1.00 23.05 N ATOM 436 CA TYR A 31 15.986 6.571 -30.200 1.00 25.72 C ATOM 437 C TYR A 31 15.310 5.927 -31.407 1.00 29.45 C ATOM 438 O TYR A 31 15.519 4.749 -31.692 1.00 30.08 O ATOM 439 CB TYR A 31 17.490 6.692 -30.449 1.00 21.15 C ATOM 440 CG TYR A 31 18.164 7.737 -29.589 1.00 24.03 C ATOM 441 CD1 TYR A 31 18.029 9.091 -29.874 1.00 17.01 C ATOM 442 CD2 TYR A 31 18.935 7.371 -28.494 1.00 29.13 C ATOM 443 CE1 TYR A 31 18.644 10.049 -29.089 1.00 26.09 C ATOM 444 CE2 TYR A 31 19.552 8.323 -27.705 1.00 25.81 C ATOM 445 CZ TYR A 31 19.404 9.660 -28.008 1.00 25.77 C ATOM 446 OH TYR A 31 20.018 10.612 -27.225 1.00 34.26 O ATOM 447 HA TYR A 31 15.567 7.567 -30.059 1.00 0.00 H ATOM 448 HB3 TYR A 31 17.646 6.954 -31.496 1.00 0.00 H ATOM 449 HB2 TYR A 31 17.952 5.726 -30.244 1.00 0.00 H ATOM 450 HD2 TYR A 31 19.056 6.315 -28.253 1.00 0.00 H ATOM 451 HE2 TYR A 31 20.152 8.019 -26.848 1.00 0.00 H ATOM 452 HE1 TYR A 31 18.528 11.107 -29.324 1.00 0.00 H ATOM 453 HD1 TYR A 31 17.429 9.402 -30.729 1.00 0.00 H ATOM 454 HH TYR A 31 19.810 11.513 -27.579 1.00 0.00 H ATOM 455 H TYR A 31 15.441 4.804 -29.074 1.00 0.00 H ATOM 456 N GLY A 32 14.497 6.711 -32.113 1.00 29.62 N ATOM 457 CA GLY A 32 13.800 6.202 -33.284 1.00 33.28 C ATOM 458 C GLY A 32 14.170 6.950 -34.549 1.00 36.13 C ATOM 459 O GLY A 32 13.297 7.399 -35.290 1.00 32.23 O ATOM 460 HA3 GLY A 32 12.726 6.298 -33.122 1.00 0.00 H ATOM 461 HA2 GLY A 32 14.054 5.150 -33.413 1.00 0.00 H ATOM 462 H GLY A 32 14.359 7.700 -31.823 1.00 0.00 H ATOM 463 N SER A 33 15.470 7.082 -34.797 1.00 41.08 N ATOM 464 CA SER A 33 15.954 7.780 -35.982 1.00 47.10 C ATOM 465 C SER A 33 17.292 7.209 -36.440 1.00 57.93 C ATOM 466 O SER A 33 17.479 6.907 -37.619 1.00 57.01 O ATOM 467 CB SER A 33 16.094 9.276 -35.698 1.00 46.73 C ATOM 468 OG SER A 33 16.454 9.987 -36.870 1.00 52.64 O ATOM 469 HA SER A 33 15.226 7.637 -36.780 1.00 0.00 H ATOM 470 HB2 SER A 33 16.864 9.424 -34.941 1.00 0.00 H ATOM 471 HB3 SER A 33 15.143 9.659 -35.327 1.00 0.00 H ATOM 472 HG SER A 33 16.538 10.950 -36.658 1.00 0.00 H ATOM 473 H SER A 33 16.158 6.678 -34.130 1.00 0.00 H ATOM 474 N SER A 34 18.220 7.063 -35.501 1.00 65.04 N ATOM 475 CA SER A 34 19.541 6.528 -35.809 1.00 70.41 C ATOM 476 C SER A 34 19.496 5.008 -35.936 1.00 0.00 C ATOM 477 O SER A 34 20.157 4.426 -36.796 1.00 0.00 O ATOM 478 CB SER A 34 20.542 6.930 -34.724 1.00 72.65 C ATOM 479 OG SER A 34 21.865 6.591 -35.101 1.00 72.85 O ATOM 480 HA SER A 34 19.862 6.946 -36.763 1.00 0.00 H ATOM 481 HB2 SER A 34 20.291 6.412 -33.798 1.00 0.00 H ATOM 482 HB3 SER A 34 20.482 8.007 -34.564 1.00 0.00 H ATOM 483 HG SER A 34 22.491 6.861 -34.383 1.00 0.00 H ATOM 484 H SER A 34 17.999 7.337 -34.522 1.00 0.00 H ATOM 485 N SER A 35 18.711 4.370 -35.073 1.00 0.00 N ATOM 486 CA SER A 35 18.579 2.919 -35.087 1.00 0.00 C ATOM 487 C SER A 35 17.476 2.483 -36.048 1.00 0.00 C ATOM 488 O SER A 35 16.330 2.916 -35.930 1.00 0.00 O ATOM 489 CB SER A 35 18.281 2.398 -33.681 1.00 0.00 C ATOM 490 OG SER A 35 19.279 2.808 -32.763 1.00 0.00 O ATOM 491 HA SER A 35 19.524 2.497 -35.430 1.00 0.00 H ATOM 492 HB2 SER A 35 18.245 1.309 -33.705 1.00 0.00 H ATOM 493 HB3 SER A 35 17.316 2.785 -33.355 1.00 0.00 H ATOM 494 HG SER A 35 19.062 2.458 -31.863 1.00 0.00 H ATOM 495 H SER A 35 18.178 4.921 -34.370 1.00 0.00 H ATOM 496 N ARG A 36 17.829 1.622 -36.996 1.00 0.00 N ATOM 497 CA ARG A 36 16.870 1.127 -37.975 1.00 0.00 C ATOM 498 C ARG A 36 16.149 -0.110 -37.451 1.00 0.00 C ATOM 499 O ARG A 36 14.922 -0.127 -37.342 1.00 0.00 O ATOM 500 CB ARG A 36 17.576 0.798 -39.292 1.00 0.00 C ATOM 501 CG ARG A 36 16.643 0.776 -40.492 1.00 0.00 C ATOM 502 CD ARG A 36 17.413 0.824 -41.803 1.00 0.00 C ATOM 503 NE ARG A 36 17.544 -0.500 -42.412 1.00 0.00 N ATOM 504 CZ ARG A 36 18.479 -1.394 -42.083 1.00 0.00 C ATOM 505 NH1 ARG A 36 19.386 -1.121 -41.151 1.00 0.00 N ATOM 506 NH2 ARG A 36 18.507 -2.570 -42.693 1.00 0.00 N ATOM 507 HA ARG A 36 16.133 1.910 -38.152 1.00 0.00 H ATOM 508 HB2 ARG A 36 18.346 1.549 -39.468 1.00 0.00 H ATOM 509 HB3 ARG A 36 18.041 -0.183 -39.198 1.00 0.00 H ATOM 510 HG2 ARG A 36 16.051 -0.139 -40.463 1.00 0.00 H ATOM 511 HG3 ARG A 36 15.979 1.639 -40.440 1.00 0.00 H ATOM 512 HD2 ARG A 36 18.409 1.224 -41.612 1.00 0.00 H ATOM 513 HD3 ARG A 36 16.887 1.480 -42.496 1.00 0.00 H ATOM 514 HE ARG A 36 16.862 -0.762 -43.152 1.00 0.00 H ATOM 515 HH12 ARG A 36 20.108 -1.828 -40.906 1.00 0.00 H ATOM 516 HH11 ARG A 36 19.374 -0.201 -40.667 1.00 0.00 H ATOM 517 HH22 ARG A 36 19.234 -3.270 -42.440 1.00 0.00 H ATOM 518 HH21 ARG A 36 17.802 -2.793 -43.425 1.00 0.00 H ATOM 519 H ARG A 36 18.815 1.293 -37.041 1.00 0.00 H ATOM 520 N ARG A 37 16.918 -1.143 -37.128 1.00 0.00 N ATOM 521 CA ARG A 37 16.354 -2.387 -36.616 1.00 0.00 C ATOM 522 C ARG A 37 15.844 -2.207 -35.189 1.00 0.00 C ATOM 523 O ARG A 37 16.629 -2.015 -34.259 1.00 0.00 O ATOM 524 CB ARG A 37 17.402 -3.501 -36.658 1.00 0.00 C ATOM 525 CG ARG A 37 16.807 -4.900 -36.553 1.00 0.00 C ATOM 526 CD ARG A 37 16.791 -5.612 -37.898 1.00 0.00 C ATOM 527 NE ARG A 37 16.117 -4.822 -38.930 1.00 0.00 N ATOM 528 CZ ARG A 37 15.616 -5.329 -40.058 1.00 0.00 C ATOM 529 NH1 ARG A 37 15.703 -6.631 -40.320 1.00 0.00 N ATOM 530 NH2 ARG A 37 15.023 -4.529 -40.932 1.00 0.00 N ATOM 531 HA ARG A 37 15.513 -2.664 -37.251 1.00 0.00 H ATOM 532 HB2 ARG A 37 17.947 -3.427 -37.599 1.00 0.00 H ATOM 533 HB3 ARG A 37 18.093 -3.356 -35.827 1.00 0.00 H ATOM 534 HG2 ARG A 37 17.402 -5.485 -35.851 1.00 0.00 H ATOM 535 HG3 ARG A 37 15.785 -4.822 -36.183 1.00 0.00 H ATOM 536 HD2 ARG A 37 16.270 -6.563 -37.787 1.00 0.00 H ATOM 537 HD3 ARG A 37 17.819 -5.796 -38.211 1.00 0.00 H ATOM 538 HE ARG A 37 16.022 -3.798 -38.774 1.00 0.00 H ATOM 539 HH12 ARG A 37 15.308 -7.011 -41.204 1.00 0.00 H ATOM 540 HH11 ARG A 37 16.166 -7.268 -39.641 1.00 0.00 H ATOM 541 HH22 ARG A 37 14.631 -4.920 -41.812 1.00 0.00 H ATOM 542 HH21 ARG A 37 14.949 -3.510 -40.738 1.00 0.00 H ATOM 543 H ARG A 37 17.949 -1.063 -37.243 1.00 0.00 H ATOM 544 N ALA A 38 14.529 -2.273 -35.022 1.00 0.00 N ATOM 545 CA ALA A 38 13.916 -2.119 -33.708 1.00 0.00 C ATOM 546 C ALA A 38 12.534 -2.781 -33.665 1.00 0.00 C ATOM 547 O ALA A 38 11.733 -2.597 -34.581 1.00 0.00 O ATOM 548 CB ALA A 38 13.808 -0.644 -33.349 1.00 0.00 C ATOM 549 HA ALA A 38 14.551 -2.616 -32.975 1.00 0.00 H ATOM 550 HB1 ALA A 38 14.804 -0.201 -33.333 1.00 0.00 H ATOM 551 HB2 ALA A 38 13.194 -0.135 -34.092 1.00 0.00 H ATOM 552 HB3 ALA A 38 13.349 -0.543 -32.366 1.00 0.00 H ATOM 553 H ALA A 38 13.921 -2.439 -35.849 1.00 0.00 H ATOM 554 N PRO A 39 12.220 -3.568 -32.605 1.00 0.00 N ATOM 555 CA PRO A 39 10.922 -4.236 -32.492 1.00 0.00 C ATOM 556 C PRO A 39 9.842 -3.318 -31.931 1.00 0.00 C ATOM 557 O PRO A 39 10.127 -2.211 -31.477 1.00 0.00 O ATOM 558 CB PRO A 39 11.214 -5.373 -31.518 1.00 0.00 C ATOM 559 CG PRO A 39 12.261 -4.825 -30.612 1.00 0.00 C ATOM 560 CD PRO A 39 13.088 -3.874 -31.442 1.00 0.00 C ATOM 561 HA PRO A 39 10.538 -4.562 -33.459 1.00 0.00 H ATOM 562 HD3 PRO A 39 13.318 -2.968 -30.881 1.00 0.00 H ATOM 563 HD2 PRO A 39 14.016 -4.346 -31.764 1.00 0.00 H ATOM 564 HG3 PRO A 39 12.886 -5.631 -30.227 1.00 0.00 H ATOM 565 HG2 PRO A 39 11.799 -4.295 -29.779 1.00 0.00 H ATOM 566 HB2 PRO A 39 10.319 -5.640 -30.956 1.00 0.00 H ATOM 567 HB3 PRO A 39 11.583 -6.251 -32.049 1.00 0.00 H ATOM 568 N GLN A 40 8.599 -3.790 -31.961 1.00 0.00 N ATOM 569 CA GLN A 40 7.474 -3.015 -31.451 1.00 0.00 C ATOM 570 C GLN A 40 7.161 -3.404 -30.010 1.00 0.00 C ATOM 571 O GLN A 40 6.843 -4.559 -29.725 1.00 0.00 O ATOM 572 CB GLN A 40 6.241 -3.227 -32.330 1.00 0.00 C ATOM 573 CG GLN A 40 5.032 -2.421 -31.885 1.00 0.00 C ATOM 574 CD GLN A 40 3.725 -3.151 -32.121 1.00 0.00 C ATOM 575 OE1 GLN A 40 3.447 -4.172 -31.491 1.00 0.00 O ATOM 576 NE2 GLN A 40 2.912 -2.630 -33.032 1.00 0.00 N ATOM 577 HA GLN A 40 7.748 -1.960 -31.474 1.00 0.00 H ATOM 578 HB2 GLN A 40 6.491 -2.939 -33.351 1.00 0.00 H ATOM 579 HB3 GLN A 40 5.978 -4.285 -32.307 1.00 0.00 H ATOM 580 HG2 GLN A 40 5.126 -2.209 -30.820 1.00 0.00 H ATOM 581 HG3 GLN A 40 5.014 -1.483 -32.441 1.00 0.00 H ATOM 582 HE22 GLN A 40 3.187 -1.766 -33.541 1.00 0.00 H ATOM 583 HE21 GLN A 40 2.000 -3.086 -33.237 1.00 0.00 H ATOM 584 H GLN A 40 8.425 -4.735 -32.358 1.00 0.00 H ATOM 585 N THR A 41 7.256 -2.436 -29.105 1.00 58.60 N ATOM 586 CA THR A 41 6.986 -2.685 -27.693 1.00 57.60 C ATOM 587 C THR A 41 6.735 -1.377 -26.945 1.00 51.54 C ATOM 588 O THR A 41 7.376 -0.362 -27.217 1.00 55.44 O ATOM 589 CB THR A 41 8.156 -3.440 -27.055 1.00 59.11 C ATOM 590 OG1 THR A 41 8.047 -3.437 -25.641 1.00 64.04 O ATOM 591 CG2 THR A 41 9.509 -2.864 -27.416 1.00 59.18 C ATOM 592 HA THR A 41 6.087 -3.297 -27.622 1.00 0.00 H ATOM 593 HB THR A 41 8.095 -4.454 -27.451 1.00 0.00 H ATOM 594 HG1 THR A 41 8.812 -3.930 -25.251 1.00 0.00 H ATOM 595 HG23 THR A 41 9.621 -2.854 -28.500 1.00 0.00 H ATOM 596 HG21 THR A 41 9.583 -1.846 -27.032 1.00 0.00 H ATOM 597 HG22 THR A 41 10.294 -3.478 -26.974 1.00 0.00 H ATOM 598 H THR A 41 7.529 -1.480 -29.410 1.00 0.00 H ATOM 599 N GLY A 42 5.801 -1.414 -26.000 1.00 35.08 N ATOM 600 CA GLY A 42 5.482 -0.229 -25.224 1.00 21.75 C ATOM 601 C GLY A 42 5.142 -0.557 -23.783 1.00 18.36 C ATOM 602 O GLY A 42 6.025 -0.609 -22.927 1.00 21.32 O ATOM 603 HA3 GLY A 42 4.627 0.270 -25.681 1.00 0.00 H ATOM 604 HA2 GLY A 42 6.342 0.441 -25.238 1.00 0.00 H ATOM 605 H GLY A 42 5.293 -2.302 -25.814 1.00 0.00 H ATOM 606 N ILE A 43 3.860 -0.782 -23.514 1.00 21.07 N ATOM 607 CA ILE A 43 3.405 -1.110 -22.168 1.00 22.17 C ATOM 608 C ILE A 43 3.114 -2.606 -22.042 1.00 25.61 C ATOM 609 O ILE A 43 3.273 -3.190 -20.970 1.00 18.04 O ATOM 610 CB ILE A 43 2.144 -0.295 -21.788 1.00 18.01 C ATOM 611 CG1 ILE A 43 1.726 -0.572 -20.338 1.00 20.02 C ATOM 612 CG2 ILE A 43 0.999 -0.603 -22.743 1.00 20.05 C ATOM 613 CD1 ILE A 43 2.527 0.201 -19.313 1.00 22.13 C ATOM 614 HA ILE A 43 4.207 -0.847 -21.478 1.00 0.00 H ATOM 615 HB ILE A 43 2.389 0.764 -21.872 1.00 0.00 H ATOM 616 HG12 ILE A 43 0.675 -0.305 -20.226 1.00 0.00 H ATOM 617 HG13 ILE A 43 1.852 -1.637 -20.141 1.00 0.00 H ATOM 618 HD11 ILE A 43 3.581 -0.063 -19.403 1.00 0.00 H ATOM 619 HD12 ILE A 43 2.403 1.270 -19.488 1.00 0.00 H ATOM 620 HD13 ILE A 43 2.172 -0.049 -18.313 1.00 0.00 H ATOM 621 HG21 ILE A 43 1.295 -0.343 -23.759 1.00 0.00 H ATOM 622 HG22 ILE A 43 0.762 -1.666 -22.693 1.00 0.00 H ATOM 623 HG23 ILE A 43 0.123 -0.020 -22.458 1.00 0.00 H ATOM 624 H ILE A 43 3.163 -0.723 -24.284 1.00 0.00 H ATOM 625 N VAL A 44 2.689 -3.218 -23.144 1.00 19.35 N ATOM 626 CA VAL A 44 2.378 -4.642 -23.152 1.00 19.83 C ATOM 627 C VAL A 44 3.648 -5.481 -23.050 1.00 18.37 C ATOM 628 O VAL A 44 3.889 -6.138 -22.046 1.00 20.08 O ATOM 629 CB VAL A 44 1.603 -5.045 -24.421 1.00 22.51 C ATOM 630 CG1 VAL A 44 1.134 -6.489 -24.330 1.00 29.90 C ATOM 631 CG2 VAL A 44 0.425 -4.110 -24.643 1.00 22.31 C ATOM 632 HA VAL A 44 1.750 -4.833 -22.282 1.00 0.00 H ATOM 633 HB VAL A 44 2.275 -4.961 -25.275 1.00 0.00 H ATOM 634 HG11 VAL A 44 1.998 -7.144 -24.222 1.00 0.00 H ATOM 635 HG12 VAL A 44 0.479 -6.603 -23.466 1.00 0.00 H ATOM 636 HG13 VAL A 44 0.589 -6.751 -25.237 1.00 0.00 H ATOM 637 HG21 VAL A 44 -0.246 -4.163 -23.785 1.00 0.00 H ATOM 638 HG22 VAL A 44 0.790 -3.089 -24.759 1.00 0.00 H ATOM 639 HG23 VAL A 44 -0.111 -4.410 -25.544 1.00 0.00 H ATOM 640 H VAL A 44 2.576 -2.668 -24.019 1.00 0.00 H ATOM 641 N ASP A 45 4.461 -5.453 -24.095 1.00 19.78 N ATOM 642 CA ASP A 45 5.705 -6.215 -24.106 1.00 22.36 C ATOM 643 C ASP A 45 6.647 -5.800 -22.966 1.00 23.03 C ATOM 644 O ASP A 45 7.586 -6.527 -22.645 1.00 22.16 O ATOM 645 CB ASP A 45 6.414 -6.046 -25.450 1.00 29.90 C ATOM 646 CG ASP A 45 5.722 -6.802 -26.568 1.00 38.30 C ATOM 647 OD1 ASP A 45 4.732 -6.274 -27.117 1.00 34.84 O ATOM 648 OD2 ASP A 45 6.170 -7.921 -26.895 1.00 39.04 O ATOM 649 HA ASP A 45 5.445 -7.263 -23.956 1.00 0.00 H ATOM 650 HB2 ASP A 45 6.435 -4.986 -25.704 1.00 0.00 H ATOM 651 HB3 ASP A 45 7.435 -6.416 -25.356 1.00 0.00 H ATOM 652 H ASP A 45 4.208 -4.877 -24.923 1.00 0.00 H ATOM 653 N GLU A 46 6.416 -4.625 -22.371 1.00 21.13 N ATOM 654 CA GLU A 46 7.273 -4.137 -21.296 1.00 24.96 C ATOM 655 C GLU A 46 6.794 -4.570 -19.908 1.00 24.92 C ATOM 656 O GLU A 46 7.614 -4.862 -19.037 1.00 23.35 O ATOM 657 CB GLU A 46 7.364 -2.611 -21.352 1.00 32.84 C ATOM 658 CG GLU A 46 8.379 -2.026 -20.384 1.00 38.09 C ATOM 659 CD GLU A 46 9.783 -2.545 -20.629 1.00 41.51 C ATOM 660 OE1 GLU A 46 10.449 -2.040 -21.556 1.00 45.60 O ATOM 661 OE2 GLU A 46 10.215 -3.457 -19.893 1.00 41.76 O ATOM 662 HA GLU A 46 8.256 -4.581 -21.452 1.00 0.00 H ATOM 663 HB2 GLU A 46 7.645 -2.319 -22.364 1.00 0.00 H ATOM 664 HB3 GLU A 46 6.384 -2.198 -21.115 1.00 0.00 H ATOM 665 HG2 GLU A 46 8.383 -0.942 -20.494 1.00 0.00 H ATOM 666 HG3 GLU A 46 8.083 -2.285 -19.368 1.00 0.00 H ATOM 667 H GLU A 46 5.609 -4.047 -22.681 1.00 0.00 H ATOM 668 N CYS A 47 5.477 -4.583 -19.681 1.00 20.20 N ATOM 669 CA CYS A 47 4.941 -4.952 -18.363 1.00 19.56 C ATOM 670 C CYS A 47 4.158 -6.265 -18.383 1.00 28.23 C ATOM 671 O CYS A 47 4.078 -6.958 -17.368 1.00 21.99 O ATOM 672 CB CYS A 47 4.059 -3.832 -17.817 1.00 21.60 C ATOM 673 SG CYS A 47 4.283 -3.541 -16.033 1.00 26.79 S ATOM 674 HA CYS A 47 5.800 -5.101 -17.709 1.00 0.00 H ATOM 675 HB2 CYS A 47 3.016 -4.094 -17.997 1.00 0.00 H ATOM 676 HB3 CYS A 47 4.298 -2.912 -18.350 1.00 0.00 H ATOM 677 H CYS A 47 4.822 -4.328 -20.448 1.00 0.00 H ATOM 678 N CYS A 48 3.573 -6.607 -19.523 1.00 18.45 N ATOM 679 CA CYS A 48 2.802 -7.842 -19.631 1.00 17.21 C ATOM 680 C CYS A 48 3.729 -9.042 -19.788 1.00 19.88 C ATOM 681 O CYS A 48 3.549 -10.069 -19.133 1.00 23.54 O ATOM 682 CB CYS A 48 1.824 -7.773 -20.806 1.00 22.56 C ATOM 683 SG CYS A 48 0.641 -9.161 -20.880 1.00 25.89 S ATOM 684 HA CYS A 48 2.229 -7.962 -18.712 1.00 0.00 H ATOM 685 HB2 CYS A 48 2.401 -7.766 -21.731 1.00 0.00 H ATOM 686 HB3 CYS A 48 1.258 -6.845 -20.725 1.00 0.00 H ATOM 687 H CYS A 48 3.665 -5.986 -20.352 1.00 0.00 H ATOM 688 N PHE A 49 4.727 -8.904 -20.656 1.00 19.44 N ATOM 689 CA PHE A 49 5.688 -9.975 -20.890 1.00 26.47 C ATOM 690 C PHE A 49 6.738 -9.998 -19.784 1.00 27.42 C ATOM 691 O PHE A 49 7.195 -11.061 -19.365 1.00 31.83 O ATOM 692 CB PHE A 49 6.360 -9.795 -22.252 1.00 27.72 C ATOM 693 CG PHE A 49 5.623 -10.467 -23.378 1.00 32.07 C ATOM 694 CD1 PHE A 49 4.566 -9.831 -24.006 1.00 31.76 C ATOM 695 CD2 PHE A 49 5.990 -11.733 -23.805 1.00 29.85 C ATOM 696 CE1 PHE A 49 3.886 -10.445 -25.040 1.00 32.64 C ATOM 697 CE2 PHE A 49 5.312 -12.353 -24.839 1.00 29.98 C ATOM 698 CZ PHE A 49 4.260 -11.707 -25.458 1.00 24.87 C ATOM 699 HA PHE A 49 5.156 -10.926 -20.884 1.00 0.00 H ATOM 700 HB2 PHE A 49 6.422 -8.728 -22.468 1.00 0.00 H ATOM 701 HB3 PHE A 49 7.365 -10.213 -22.199 1.00 0.00 H ATOM 702 HD2 PHE A 49 6.821 -12.246 -23.321 1.00 0.00 H ATOM 703 HE2 PHE A 49 5.608 -13.350 -25.165 1.00 0.00 H ATOM 704 HZ PHE A 49 3.726 -12.192 -26.275 1.00 0.00 H ATOM 705 HE1 PHE A 49 3.055 -9.934 -25.526 1.00 0.00 H ATOM 706 HD1 PHE A 49 4.267 -8.835 -23.681 1.00 0.00 H ATOM 707 H PHE A 49 4.824 -8.011 -21.180 1.00 0.00 H ATOM 708 N ARG A 50 7.105 -8.812 -19.307 1.00 29.59 N ATOM 709 CA ARG A 50 8.089 -8.677 -18.239 1.00 26.05 C ATOM 710 C ARG A 50 7.495 -7.890 -17.077 1.00 25.89 C ATOM 711 O ARG A 50 6.556 -7.124 -17.262 1.00 19.42 O ATOM 712 CB ARG A 50 9.348 -7.974 -18.755 1.00 23.82 C ATOM 713 CG ARG A 50 9.833 -8.493 -20.101 1.00 26.06 C ATOM 714 CD ARG A 50 10.696 -7.464 -20.814 1.00 29.51 C ATOM 715 NE ARG A 50 12.050 -7.405 -20.261 1.00 39.53 N ATOM 716 CZ ARG A 50 13.034 -8.246 -20.587 1.00 41.06 C ATOM 717 NH1 ARG A 50 12.833 -9.224 -21.466 1.00 40.37 N ATOM 718 NH2 ARG A 50 14.230 -8.108 -20.031 1.00 40.98 N ATOM 719 HA ARG A 50 8.363 -9.674 -17.893 1.00 0.00 H ATOM 720 HB2 ARG A 50 9.132 -6.910 -18.854 1.00 0.00 H ATOM 721 HB3 ARG A 50 10.145 -8.115 -18.025 1.00 0.00 H ATOM 722 HG2 ARG A 50 10.419 -9.399 -19.942 1.00 0.00 H ATOM 723 HG3 ARG A 50 8.969 -8.725 -20.724 1.00 0.00 H ATOM 724 HD2 ARG A 50 10.231 -6.483 -20.712 1.00 0.00 H ATOM 725 HD3 ARG A 50 10.758 -7.727 -21.870 1.00 0.00 H ATOM 726 HE ARG A 50 12.259 -6.658 -19.568 1.00 0.00 H ATOM 727 HH12 ARG A 50 13.609 -9.872 -21.710 1.00 0.00 H ATOM 728 HH11 ARG A 50 11.899 -9.341 -21.909 1.00 0.00 H ATOM 729 HH22 ARG A 50 14.999 -8.761 -20.283 1.00 0.00 H ATOM 730 HH21 ARG A 50 14.399 -7.346 -19.343 1.00 0.00 H ATOM 731 H ARG A 50 6.677 -7.953 -19.708 1.00 0.00 H ATOM 732 N SER A 51 8.036 -8.080 -15.879 1.00 25.83 N ATOM 733 CA SER A 51 7.535 -7.375 -14.703 1.00 28.49 C ATOM 734 C SER A 51 8.127 -5.971 -14.611 1.00 22.34 C ATOM 735 O SER A 51 9.322 -5.806 -14.372 1.00 28.05 O ATOM 736 CB SER A 51 7.863 -8.163 -13.434 1.00 29.44 C ATOM 737 OG SER A 51 9.186 -8.670 -13.476 1.00 42.62 O ATOM 738 HA SER A 51 6.453 -7.285 -14.800 1.00 0.00 H ATOM 739 HB2 SER A 51 7.165 -8.995 -13.341 1.00 0.00 H ATOM 740 HB3 SER A 51 7.760 -7.506 -12.570 1.00 0.00 H ATOM 741 HG SER A 51 9.824 -7.917 -13.556 1.00 0.00 H ATOM 742 H SER A 51 8.831 -8.743 -15.777 1.00 0.00 H ATOM 743 N CYS A 52 7.282 -4.955 -14.805 1.00 21.96 N ATOM 744 CA CYS A 52 7.729 -3.563 -14.743 1.00 24.73 C ATOM 745 C CYS A 52 7.264 -2.894 -13.442 1.00 25.51 C ATOM 746 O CYS A 52 6.873 -3.569 -12.490 1.00 23.80 O ATOM 747 CB CYS A 52 7.259 -2.790 -16.011 1.00 24.55 C ATOM 748 SG CYS A 52 5.598 -1.998 -15.960 1.00 28.05 S ATOM 749 HA CYS A 52 8.819 -3.540 -14.732 1.00 0.00 H ATOM 750 HB2 CYS A 52 7.259 -3.496 -16.842 1.00 0.00 H ATOM 751 HB3 CYS A 52 7.989 -2.004 -16.204 1.00 0.00 H ATOM 752 H CYS A 52 6.282 -5.158 -15.005 1.00 0.00 H ATOM 753 N ASP A 53 7.300 -1.565 -13.424 1.00 27.35 N ATOM 754 CA ASP A 53 6.870 -0.800 -12.256 1.00 28.62 C ATOM 755 C ASP A 53 5.618 0.007 -12.584 1.00 23.60 C ATOM 756 O ASP A 53 5.429 0.446 -13.718 1.00 21.40 O ATOM 757 CB ASP A 53 7.991 0.127 -11.773 1.00 34.84 C ATOM 758 CG ASP A 53 8.653 0.887 -12.906 1.00 39.80 C ATOM 759 OD1 ASP A 53 9.214 0.234 -13.811 1.00 46.35 O ATOM 760 OD2 ASP A 53 8.610 2.136 -12.888 1.00 44.65 O ATOM 761 HA ASP A 53 6.635 -1.500 -11.454 1.00 0.00 H ATOM 762 HB2 ASP A 53 7.570 0.846 -11.070 1.00 0.00 H ATOM 763 HB3 ASP A 53 8.747 -0.474 -11.268 1.00 0.00 H ATOM 764 H ASP A 53 7.643 -1.057 -14.264 1.00 0.00 H ATOM 765 N LEU A 54 4.760 0.190 -11.586 1.00 20.38 N ATOM 766 CA LEU A 54 3.517 0.932 -11.768 1.00 14.25 C ATOM 767 C LEU A 54 3.779 2.393 -12.132 1.00 23.79 C ATOM 768 O LEU A 54 2.956 3.034 -12.786 1.00 23.74 O ATOM 769 CB LEU A 54 2.666 0.854 -10.500 1.00 21.53 C ATOM 770 CG LEU A 54 1.977 -0.492 -10.265 1.00 22.22 C ATOM 771 CD1 LEU A 54 3.005 -1.591 -10.048 1.00 21.85 C ATOM 772 CD2 LEU A 54 1.030 -0.407 -9.077 1.00 20.36 C ATOM 773 HA LEU A 54 2.977 0.473 -12.596 1.00 0.00 H ATOM 774 HB2 LEU A 54 3.312 1.057 -9.646 1.00 0.00 H ATOM 775 HB3 LEU A 54 1.895 1.622 -10.562 1.00 0.00 H ATOM 776 HG LEU A 54 1.395 -0.737 -11.154 1.00 0.00 H ATOM 777 HD21 LEU A 54 1.593 -0.137 -8.184 1.00 0.00 H ATOM 778 HD22 LEU A 54 0.271 0.350 -9.273 1.00 0.00 H ATOM 779 HD23 LEU A 54 0.550 -1.374 -8.927 1.00 0.00 H ATOM 780 HD11 LEU A 54 3.642 -1.670 -10.929 1.00 0.00 H ATOM 781 HD12 LEU A 54 3.615 -1.350 -9.177 1.00 0.00 H ATOM 782 HD13 LEU A 54 2.492 -2.539 -9.883 1.00 0.00 H ATOM 783 H LEU A 54 4.980 -0.206 -10.650 1.00 0.00 H ATOM 784 N ARG A 55 4.923 2.920 -11.704 1.00 23.24 N ATOM 785 CA ARG A 55 5.278 4.307 -11.988 1.00 26.67 C ATOM 786 C ARG A 55 5.316 4.580 -13.493 1.00 25.72 C ATOM 787 O ARG A 55 5.104 5.710 -13.930 1.00 28.77 O ATOM 788 CB ARG A 55 6.629 4.649 -11.357 1.00 33.74 C ATOM 789 CG ARG A 55 6.584 4.726 -9.839 1.00 47.08 C ATOM 790 CD ARG A 55 7.816 5.417 -9.277 1.00 59.43 C ATOM 791 NE ARG A 55 7.702 5.649 -7.836 1.00 68.64 N ATOM 792 CZ ARG A 55 8.401 6.567 -7.163 1.00 73.73 C ATOM 793 NH1 ARG A 55 9.278 7.348 -7.788 1.00 74.93 N ATOM 794 NH2 ARG A 55 8.222 6.703 -5.857 1.00 72.23 N ATOM 795 HA ARG A 55 4.507 4.943 -11.551 1.00 0.00 H ATOM 796 HB2 ARG A 55 7.349 3.882 -11.643 1.00 0.00 H ATOM 797 HB3 ARG A 55 6.956 5.614 -11.743 1.00 0.00 H ATOM 798 HG2 ARG A 55 5.697 5.284 -9.539 1.00 0.00 H ATOM 799 HG3 ARG A 55 6.530 3.715 -9.435 1.00 0.00 H ATOM 800 HD2 ARG A 55 7.943 6.376 -9.780 1.00 0.00 H ATOM 801 HD3 ARG A 55 8.688 4.791 -9.466 1.00 0.00 H ATOM 802 HE ARG A 55 7.032 5.060 -7.301 1.00 0.00 H ATOM 803 HH12 ARG A 55 9.816 8.059 -7.252 1.00 0.00 H ATOM 804 HH11 ARG A 55 9.426 7.248 -8.813 1.00 0.00 H ATOM 805 HH22 ARG A 55 8.764 7.417 -5.329 1.00 0.00 H ATOM 806 HH21 ARG A 55 7.539 6.096 -5.360 1.00 0.00 H ATOM 807 H ARG A 55 5.580 2.330 -11.154 1.00 0.00 H ATOM 808 N ARG A 56 5.585 3.541 -14.284 1.00 21.19 N ATOM 809 CA ARG A 56 5.643 3.684 -15.737 1.00 27.70 C ATOM 810 C ARG A 56 4.303 4.157 -16.296 1.00 25.14 C ATOM 811 O ARG A 56 4.256 4.831 -17.325 1.00 25.99 O ATOM 812 CB ARG A 56 6.033 2.357 -16.396 1.00 35.27 C ATOM 813 CG ARG A 56 7.278 1.711 -15.808 1.00 42.72 C ATOM 814 CD ARG A 56 8.497 2.612 -15.938 1.00 52.32 C ATOM 815 NE ARG A 56 9.072 2.568 -17.284 1.00 59.61 N ATOM 816 CZ ARG A 56 10.329 2.914 -17.577 1.00 61.66 C ATOM 817 NH1 ARG A 56 11.162 3.329 -16.627 1.00 64.42 N ATOM 818 NH2 ARG A 56 10.755 2.841 -18.832 1.00 62.77 N ATOM 819 HA ARG A 56 6.402 4.433 -15.964 1.00 0.00 H ATOM 820 HB2 ARG A 56 5.201 1.662 -16.283 1.00 0.00 H ATOM 821 HB3 ARG A 56 6.211 2.540 -17.456 1.00 0.00 H ATOM 822 HG2 ARG A 56 7.103 1.504 -14.752 1.00 0.00 H ATOM 823 HG3 ARG A 56 7.472 0.776 -16.333 1.00 0.00 H ATOM 824 HD2 ARG A 56 9.252 2.288 -15.222 1.00 0.00 H ATOM 825 HD3 ARG A 56 8.202 3.637 -15.714 1.00 0.00 H ATOM 826 HE ARG A 56 8.462 2.246 -18.063 1.00 0.00 H ATOM 827 HH12 ARG A 56 12.137 3.595 -16.871 1.00 0.00 H ATOM 828 HH11 ARG A 56 10.838 3.388 -15.641 1.00 0.00 H ATOM 829 HH22 ARG A 56 11.732 3.109 -19.066 1.00 0.00 H ATOM 830 HH21 ARG A 56 10.111 2.516 -19.581 1.00 0.00 H ATOM 831 H ARG A 56 5.757 2.608 -13.857 1.00 0.00 H ATOM 832 N LEU A 57 3.218 3.792 -15.619 1.00 21.87 N ATOM 833 CA LEU A 57 1.876 4.171 -16.051 1.00 22.79 C ATOM 834 C LEU A 57 1.732 5.687 -16.176 1.00 20.53 C ATOM 835 O LEU A 57 0.965 6.179 -17.002 1.00 19.79 O ATOM 836 CB LEU A 57 0.834 3.634 -15.066 1.00 22.01 C ATOM 837 CG LEU A 57 0.850 2.116 -14.868 1.00 22.86 C ATOM 838 CD1 LEU A 57 0.520 1.755 -13.428 1.00 27.83 C ATOM 839 CD2 LEU A 57 -0.131 1.448 -15.819 1.00 32.64 C ATOM 840 HA LEU A 57 1.710 3.733 -17.035 1.00 0.00 H ATOM 841 HB2 LEU A 57 1.011 4.103 -14.098 1.00 0.00 H ATOM 842 HB3 LEU A 57 -0.153 3.917 -15.431 1.00 0.00 H ATOM 843 HG LEU A 57 1.854 1.754 -15.089 1.00 0.00 H ATOM 844 HD21 LEU A 57 -1.136 1.822 -15.624 1.00 0.00 H ATOM 845 HD22 LEU A 57 0.149 1.676 -16.847 1.00 0.00 H ATOM 846 HD23 LEU A 57 -0.107 0.369 -15.665 1.00 0.00 H ATOM 847 HD11 LEU A 57 1.258 2.204 -12.764 1.00 0.00 H ATOM 848 HD12 LEU A 57 -0.472 2.132 -13.178 1.00 0.00 H ATOM 849 HD13 LEU A 57 0.538 0.671 -13.313 1.00 0.00 H ATOM 850 H LEU A 57 3.329 3.220 -14.757 1.00 0.00 H ATOM 851 N GLU A 58 2.468 6.422 -15.348 1.00 18.07 N ATOM 852 CA GLU A 58 2.414 7.879 -15.365 1.00 17.97 C ATOM 853 C GLU A 58 3.038 8.445 -16.638 1.00 14.19 C ATOM 854 O GLU A 58 2.593 9.470 -17.155 1.00 26.60 O ATOM 855 CB GLU A 58 3.127 8.450 -14.138 1.00 24.34 C ATOM 856 CG GLU A 58 2.307 8.363 -12.862 1.00 36.31 C ATOM 857 CD GLU A 58 3.058 8.876 -11.650 1.00 41.86 C ATOM 858 OE1 GLU A 58 3.091 10.108 -11.449 1.00 36.76 O ATOM 859 OE2 GLU A 58 3.615 8.046 -10.902 1.00 39.29 O ATOM 860 HA GLU A 58 1.365 8.173 -15.342 1.00 0.00 H ATOM 861 HB2 GLU A 58 4.055 7.897 -13.990 1.00 0.00 H ATOM 862 HB3 GLU A 58 3.357 9.498 -14.329 1.00 0.00 H ATOM 863 HG2 GLU A 58 1.401 8.956 -12.988 1.00 0.00 H ATOM 864 HG3 GLU A 58 2.037 7.321 -12.690 1.00 0.00 H ATOM 865 H GLU A 58 3.098 5.946 -14.671 1.00 0.00 H ATOM 866 N MET A 59 4.072 7.775 -17.139 1.00 15.83 N ATOM 867 CA MET A 59 4.759 8.216 -18.350 1.00 21.59 C ATOM 868 C MET A 59 3.801 8.292 -19.534 1.00 23.34 C ATOM 869 O MET A 59 3.816 9.255 -20.298 1.00 25.38 O ATOM 870 CB MET A 59 5.909 7.267 -18.686 1.00 23.71 C ATOM 871 CG MET A 59 6.978 7.191 -17.610 1.00 27.46 C ATOM 872 SD MET A 59 8.386 6.181 -18.106 1.00 38.20 S ATOM 873 CE MET A 59 7.550 4.729 -18.737 1.00 38.66 C ATOM 874 HA MET A 59 5.155 9.214 -18.159 1.00 0.00 H ATOM 875 HB2 MET A 59 5.498 6.268 -18.833 1.00 0.00 H ATOM 876 HB3 MET A 59 6.376 7.607 -19.611 1.00 0.00 H ATOM 877 HG2 MET A 59 6.539 6.761 -16.710 1.00 0.00 H ATOM 878 HG3 MET A 59 7.330 8.200 -17.394 1.00 0.00 H ATOM 879 HE1 MET A 59 6.950 4.283 -17.944 1.00 0.00 H ATOM 880 HE2 MET A 59 6.903 5.015 -19.566 1.00 0.00 H ATOM 881 HE3 MET A 59 8.290 4.007 -19.084 1.00 0.00 H ATOM 882 H MET A 59 4.400 6.914 -16.656 1.00 0.00 H ATOM 883 N TYR A 60 2.978 7.261 -19.683 1.00 19.16 N ATOM 884 CA TYR A 60 2.022 7.199 -20.780 1.00 18.17 C ATOM 885 C TYR A 60 0.935 8.263 -20.639 1.00 22.93 C ATOM 886 O TYR A 60 0.369 8.717 -21.633 1.00 22.51 O ATOM 887 CB TYR A 60 1.394 5.807 -20.850 1.00 18.20 C ATOM 888 CG TYR A 60 2.413 4.701 -21.007 1.00 20.05 C ATOM 889 CD1 TYR A 60 3.037 4.475 -22.227 1.00 20.40 C ATOM 890 CD2 TYR A 60 2.757 3.889 -19.934 1.00 23.58 C ATOM 891 CE1 TYR A 60 3.973 3.469 -22.376 1.00 22.99 C ATOM 892 CE2 TYR A 60 3.693 2.882 -20.073 1.00 24.88 C ATOM 893 CZ TYR A 60 4.297 2.675 -21.296 1.00 25.27 C ATOM 894 OH TYR A 60 5.232 1.674 -21.440 1.00 24.52 O ATOM 895 HA TYR A 60 2.562 7.398 -21.706 1.00 0.00 H ATOM 896 HB3 TYR A 60 0.714 5.776 -21.702 1.00 0.00 H ATOM 897 HB2 TYR A 60 0.833 5.633 -19.932 1.00 0.00 H ATOM 898 HD2 TYR A 60 2.281 4.049 -18.967 1.00 0.00 H ATOM 899 HE2 TYR A 60 3.953 2.254 -19.221 1.00 0.00 H ATOM 900 HE1 TYR A 60 4.452 3.304 -23.341 1.00 0.00 H ATOM 901 HD1 TYR A 60 2.784 5.102 -23.082 1.00 0.00 H ATOM 902 HH TYR A 60 5.562 1.664 -22.373 1.00 0.00 H ATOM 903 H TYR A 60 3.017 6.478 -18.999 1.00 0.00 H ATOM 904 N CYS A 61 0.647 8.662 -19.402 1.00 18.42 N ATOM 905 CA CYS A 61 -0.373 9.675 -19.148 1.00 15.63 C ATOM 906 C CYS A 61 -0.010 10.992 -19.830 1.00 19.70 C ATOM 907 O CYS A 61 1.112 11.482 -19.699 1.00 25.04 O ATOM 908 CB CYS A 61 -0.547 9.901 -17.645 1.00 22.45 C ATOM 909 SG CYS A 61 -0.926 8.392 -16.691 1.00 24.27 S ATOM 910 HA CYS A 61 -1.314 9.313 -19.562 1.00 0.00 H ATOM 911 HB2 CYS A 61 -1.362 10.610 -17.499 1.00 0.00 H ATOM 912 HB3 CYS A 61 0.377 10.327 -17.255 1.00 0.00 H ATOM 913 H CYS A 61 1.159 8.243 -18.600 1.00 0.00 H ATOM 914 N ALA A 62 -0.967 11.560 -20.557 1.00 24.74 N ATOM 915 CA ALA A 62 -0.748 12.820 -21.260 1.00 31.14 C ATOM 916 C ALA A 62 -0.553 13.978 -20.274 1.00 36.05 C ATOM 917 O ALA A 62 -0.905 13.858 -19.100 1.00 33.02 O ATOM 918 CB ALA A 62 -1.913 13.110 -22.194 1.00 24.85 C ATOM 919 HA ALA A 62 0.163 12.725 -21.850 1.00 0.00 H ATOM 920 HB1 ALA A 62 -2.002 12.305 -22.923 1.00 0.00 H ATOM 921 HB2 ALA A 62 -2.833 13.180 -21.614 1.00 0.00 H ATOM 922 HB3 ALA A 62 -1.736 14.053 -22.712 1.00 0.00 H ATOM 923 H ALA A 62 -1.895 11.095 -20.627 1.00 0.00 H ATOM 924 N PRO A 63 0.015 15.126 -20.725 1.00 44.06 N ATOM 925 CA PRO A 63 0.239 16.280 -19.847 1.00 46.88 C ATOM 926 C PRO A 63 -1.042 17.059 -19.559 1.00 48.13 C ATOM 927 O PRO A 63 -1.151 17.730 -18.532 1.00 54.36 O ATOM 928 CB PRO A 63 1.217 17.140 -20.645 1.00 47.68 C ATOM 929 CG PRO A 63 0.899 16.842 -22.069 1.00 49.88 C ATOM 930 CD PRO A 63 0.482 15.396 -22.107 1.00 47.05 C ATOM 931 HA PRO A 63 0.608 15.978 -18.867 1.00 0.00 H ATOM 932 HD3 PRO A 63 -0.323 15.242 -22.826 1.00 0.00 H ATOM 933 HD2 PRO A 63 1.325 14.755 -22.365 1.00 0.00 H ATOM 934 HG3 PRO A 63 1.778 17.000 -22.695 1.00 0.00 H ATOM 935 HG2 PRO A 63 0.087 17.480 -22.418 1.00 0.00 H ATOM 936 HB2 PRO A 63 1.065 18.198 -20.429 1.00 0.00 H ATOM 937 HB3 PRO A 63 2.247 16.867 -20.415 1.00 0.00 H ATOM 938 N LEU A 64 -2.009 16.971 -20.470 1.00 51.56 N ATOM 939 CA LEU A 64 -3.280 17.672 -20.311 1.00 61.37 C ATOM 940 C LEU A 64 -3.984 17.257 -19.021 1.00 67.33 C ATOM 941 O LEU A 64 -3.563 16.317 -18.347 1.00 71.54 O ATOM 942 CB LEU A 64 -4.189 17.396 -21.513 1.00 63.79 C ATOM 943 CG LEU A 64 -4.692 15.953 -21.627 1.00 60.23 C ATOM 944 CD1 LEU A 64 -6.054 15.810 -20.963 1.00 61.06 C ATOM 945 CD2 LEU A 64 -4.763 15.518 -23.084 1.00 58.43 C ATOM 946 HA LEU A 64 -3.069 18.740 -20.255 1.00 0.00 H ATOM 947 HB2 LEU A 64 -5.056 18.052 -21.439 1.00 0.00 H ATOM 948 HB3 LEU A 64 -3.632 17.633 -22.420 1.00 0.00 H ATOM 949 HG LEU A 64 -3.984 15.304 -21.111 1.00 0.00 H ATOM 950 HD21 LEU A 64 -5.447 16.173 -23.624 1.00 0.00 H ATOM 951 HD22 LEU A 64 -3.770 15.581 -23.529 1.00 0.00 H ATOM 952 HD23 LEU A 64 -5.123 14.490 -23.138 1.00 0.00 H ATOM 953 HD11 LEU A 64 -5.973 16.075 -19.909 1.00 0.00 H ATOM 954 HD12 LEU A 64 -6.767 16.474 -21.452 1.00 0.00 H ATOM 955 HD13 LEU A 64 -6.395 14.779 -21.054 1.00 0.00 H ATOM 956 H LEU A 64 -1.855 16.388 -21.317 1.00 0.00 H ATOM 957 N LYS A 65 -5.056 17.968 -18.684 1.00 0.00 N ATOM 958 CA LYS A 65 -5.819 17.676 -17.477 1.00 0.00 C ATOM 959 C LYS A 65 -7.303 18.011 -17.673 1.00 0.00 C ATOM 960 O LYS A 65 -7.629 19.026 -18.290 1.00 0.00 O ATOM 961 CB LYS A 65 -5.258 18.466 -16.292 1.00 0.00 C ATOM 962 CG LYS A 65 -5.855 18.063 -14.954 1.00 0.00 C ATOM 963 CD LYS A 65 -5.335 18.939 -13.825 1.00 0.00 C ATOM 964 CE LYS A 65 -6.076 20.264 -13.764 1.00 0.00 C ATOM 965 NZ LYS A 65 -5.657 21.081 -12.589 1.00 0.00 N ATOM 966 HA LYS A 65 -5.731 16.610 -17.270 1.00 0.00 H ATOM 967 HB2 LYS A 65 -4.180 18.307 -16.251 1.00 0.00 H ATOM 968 HB3 LYS A 65 -5.462 19.524 -16.456 1.00 0.00 H ATOM 969 HG2 LYS A 65 -6.939 18.159 -15.006 1.00 0.00 H ATOM 970 HG3 LYS A 65 -5.593 17.025 -14.747 1.00 0.00 H ATOM 971 HD2 LYS A 65 -5.468 18.414 -12.879 1.00 0.00 H ATOM 972 HD3 LYS A 65 -4.274 19.133 -13.986 1.00 0.00 H ATOM 973 HE2 LYS A 65 -7.146 20.067 -13.693 1.00 0.00 H ATOM 974 HE3 LYS A 65 -5.871 20.825 -14.675 1.00 0.00 H ATOM 975 HZ1 LYS A 65 -5.856 20.555 -11.714 1.00 0.00 H ATOM 976 HZ2 LYS A 65 -4.638 21.279 -12.652 1.00 0.00 H ATOM 977 HZ3 LYS A 65 -6.186 21.976 -12.585 1.00 0.00 H ATOM 978 H LYS A 65 -5.358 18.752 -19.297 1.00 0.00 H ATOM 979 N PRO A 66 -8.233 17.171 -17.155 1.00 0.00 N ATOM 980 CA PRO A 66 -9.672 17.422 -17.301 1.00 0.00 C ATOM 981 C PRO A 66 -10.138 18.618 -16.477 1.00 0.00 C ATOM 982 O PRO A 66 -9.325 19.375 -15.950 1.00 0.00 O ATOM 983 CB PRO A 66 -10.317 16.134 -16.784 1.00 0.00 C ATOM 984 CG PRO A 66 -9.319 15.565 -15.838 1.00 0.00 C ATOM 985 CD PRO A 66 -7.971 15.924 -16.397 1.00 0.00 C ATOM 986 HA PRO A 66 -9.939 17.663 -18.330 1.00 0.00 H ATOM 987 HD3 PRO A 66 -7.251 16.097 -15.598 1.00 0.00 H ATOM 988 HD2 PRO A 66 -7.600 15.138 -17.055 1.00 0.00 H ATOM 989 HG3 PRO A 66 -9.428 14.482 -15.777 1.00 0.00 H ATOM 990 HG2 PRO A 66 -9.446 15.998 -14.846 1.00 0.00 H ATOM 991 HB2 PRO A 66 -11.253 16.352 -16.270 1.00 0.00 H ATOM 992 HB3 PRO A 66 -10.507 15.442 -17.605 1.00 0.00 H ATOM 993 N ALA A 67 -11.452 18.781 -16.373 1.00 0.00 N ATOM 994 CA ALA A 67 -12.029 19.885 -15.613 1.00 0.00 C ATOM 995 C ALA A 67 -12.238 19.498 -14.153 1.00 0.00 C ATOM 996 O ALA A 67 -12.499 18.336 -13.840 1.00 0.00 O ATOM 997 CB ALA A 67 -13.345 20.324 -16.238 1.00 0.00 C ATOM 998 HA ALA A 67 -11.328 20.719 -15.643 1.00 0.00 H ATOM 999 HB1 ALA A 67 -13.168 20.650 -17.263 1.00 0.00 H ATOM 1000 HB2 ALA A 67 -14.043 19.487 -16.237 1.00 0.00 H ATOM 1001 HB3 ALA A 67 -13.763 21.148 -15.660 1.00 0.00 H ATOM 1002 H ALA A 67 -12.086 18.105 -16.845 1.00 0.00 H ATOM 1003 N LYS A 68 -12.123 20.479 -13.264 1.00 0.00 N ATOM 1004 CA LYS A 68 -12.300 20.241 -11.837 1.00 0.00 C ATOM 1005 C LYS A 68 -12.484 21.557 -11.086 1.00 0.00 C ATOM 1006 O LYS A 68 -12.009 22.605 -11.524 1.00 0.00 O ATOM 1007 CB LYS A 68 -11.098 19.482 -11.272 1.00 0.00 C ATOM 1008 CG LYS A 68 -11.362 18.850 -9.914 1.00 0.00 C ATOM 1009 CD LYS A 68 -10.266 17.867 -9.534 1.00 0.00 C ATOM 1010 CE LYS A 68 -10.424 16.545 -10.265 1.00 0.00 C ATOM 1011 NZ LYS A 68 -9.307 15.608 -9.966 1.00 0.00 N ATOM 1012 HA LYS A 68 -13.197 19.637 -11.703 1.00 0.00 H ATOM 1013 HB2 LYS A 68 -10.828 18.693 -11.973 1.00 0.00 H ATOM 1014 HB3 LYS A 68 -10.266 20.179 -11.172 1.00 0.00 H ATOM 1015 HG2 LYS A 68 -11.410 19.636 -9.160 1.00 0.00 H ATOM 1016 HG3 LYS A 68 -12.315 18.322 -9.948 1.00 0.00 H ATOM 1017 HD2 LYS A 68 -9.298 18.299 -9.789 1.00 0.00 H ATOM 1018 HD3 LYS A 68 -10.310 17.685 -8.460 1.00 0.00 H ATOM 1019 HE2 LYS A 68 -10.447 16.736 -11.338 1.00 0.00 H ATOM 1020 HE3 LYS A 68 -11.363 16.083 -9.960 1.00 0.00 H ATOM 1021 HZ1 LYS A 68 -8.407 16.038 -10.261 1.00 0.00 H ATOM 1022 HZ2 LYS A 68 -9.282 15.415 -8.944 1.00 0.00 H ATOM 1023 HZ3 LYS A 68 -9.454 14.719 -10.485 1.00 0.00 H ATOM 1024 H LYS A 68 -11.901 21.440 -13.594 1.00 0.00 H ATOM 1025 N SER A 69 -13.177 21.494 -9.955 1.00 0.00 N ATOM 1026 CA SER A 69 -13.424 22.681 -9.143 1.00 0.00 C ATOM 1027 C SER A 69 -12.267 22.933 -8.181 1.00 0.00 C ATOM 1028 O SER A 69 -11.821 22.027 -7.480 1.00 0.00 O ATOM 1029 CB SER A 69 -14.728 22.527 -8.359 1.00 0.00 C ATOM 1030 OG SER A 69 -15.078 23.734 -7.704 1.00 0.00 O ATOM 1031 HA SER A 69 -13.510 23.536 -9.813 1.00 0.00 H ATOM 1032 HB2 SER A 69 -14.605 21.741 -7.614 1.00 0.00 H ATOM 1033 HB3 SER A 69 -15.527 22.251 -9.048 1.00 0.00 H ATOM 1034 HG SER A 69 -15.924 23.605 -7.206 1.00 0.00 H ATOM 1035 H SER A 69 -13.553 20.577 -9.640 1.00 0.00 H ATOM 1036 N ALA A 70 -11.786 24.172 -8.156 1.00 0.00 N ATOM 1037 CA ALA A 70 -10.681 24.544 -7.283 1.00 0.00 C ATOM 1038 C ALA A 70 -10.705 26.037 -6.971 1.00 0.00 C ATOM 1039 O ALA A 70 -10.824 26.837 -7.924 1.00 20.00 O ATOM 1040 CB ALA A 70 -9.354 24.157 -7.917 1.00 0.00 C ATOM 1041 HA ALA A 70 -10.795 24.002 -6.344 1.00 0.00 H ATOM 1042 OXT ALA A 70 -10.605 26.394 -5.779 1.00 20.00 O ATOM 1043 HB1 ALA A 70 -9.332 23.080 -8.081 1.00 0.00 H ATOM 1044 HB2 ALA A 70 -9.244 24.673 -8.871 1.00 0.00 H ATOM 1045 HB3 ALA A 70 -8.538 24.442 -7.252 1.00 0.00 H ATOM 1046 H ALA A 70 -12.209 24.893 -8.775 1.00 0.00 H TER 1047 ALA A 70 HETATM 1048 N ARG A 1 -1.258 2.856 2.787 1.00 0.24 N HETATM 1049 CA ARG A 1 0.148 2.819 2.307 1.00 0.07 C HETATM 1050 C ARG A 1 0.238 3.214 0.837 1.00 0.23 C HETATM 1051 O ARG A 1 -0.762 3.571 0.216 1.00 -0.39 O HETATM 1052 N ARG A 1 1.446 3.150 0.286 1.00 -0.26 N HETATM 1053 CA ARG A 1 1.670 3.500 -1.112 1.00 0.15 C HETATM 1054 C ARG A 1 0.950 2.528 -2.041 1.00 0.21 C HETATM 1055 O ARG A 1 1.016 1.312 -1.854 1.00 -0.39 O HETATM 1056 N ARG A 1 0.263 3.070 -3.041 1.00 -0.26 N HETATM 1057 CA ARG A 1 -0.468 2.248 -3.999 1.00 0.14 C HETATM 1058 C ARG A 1 0.459 1.735 -5.096 1.00 0.20 C HETATM 1059 O ARG A 1 0.372 0.578 -5.505 1.00 -0.39 O HETATM 1060 N ARG A 1 1.348 2.605 -5.568 1.00 -0.26 N HETATM 1061 CA ARG A 1 2.290 2.238 -6.618 1.00 0.14 C HETATM 1062 C ARG A 1 3.494 1.500 -6.035 1.00 0.21 C HETATM 1063 O ARG A 1 4.600 2.040 -5.968 1.00 -0.39 O HETATM 1064 N ARG A 1 3.268 0.259 -5.618 1.00 -0.26 N HETATM 1065 CA ARG A 1 4.327 -0.562 -5.040 1.00 0.13 C HETATM 1066 C ARG A 1 4.441 -1.891 -5.780 1.00 0.20 C HETATM 1067 O ARG A 1 5.540 -2.337 -6.114 1.00 -0.39 O HETATM 1068 N ARG A 1 3.298 -2.518 -6.036 1.00 -0.26 N HETATM 1069 CA ARG A 1 3.264 -3.795 -6.739 1.00 0.15 C HETATM 1070 C ARG A 1 2.032 -3.888 -7.634 1.00 0.21 C HETATM 1071 O ARG A 1 1.175 -3.004 -7.619 1.00 -0.39 O HETATM 1072 N ARG A 1 1.948 -4.962 -8.411 1.00 -0.26 N HETATM 1073 CA ARG A 1 0.819 -5.167 -9.312 1.00 0.13 C HETATM 1074 C ARG A 1 -0.465 -5.441 -8.531 1.00 0.20 C HETATM 1075 O ARG A 1 -1.559 -5.099 -8.977 1.00 -0.39 O HETATM 1076 N ARG A 1 -0.322 -6.061 -7.363 1.00 -0.26 N HETATM 1077 CA ARG A 1 -1.470 -6.381 -6.522 1.00 0.13 C HETATM 1078 C ARG A 1 -2.035 -5.130 -5.858 1.00 0.20 C HETATM 1079 O ARG A 1 -3.251 -4.974 -5.738 1.00 -0.39 O HETATM 1080 N ARG A 1 -1.145 -4.244 -5.423 1.00 -0.26 N HETATM 1081 CA ARG A 1 -1.549 -3.006 -4.763 1.00 0.13 C HETATM 1082 C ARG A 1 -2.482 -2.174 -5.639 1.00 0.20 C HETATM 1083 O ARG A 1 -3.447 -1.586 -5.149 1.00 -0.39 O HETATM 1084 N ARG A 1 -2.190 -2.123 -6.935 1.00 -0.26 N HETATM 1085 CA ARG A 1 -3.006 -1.357 -7.871 1.00 0.13 C HETATM 1086 C ARG A 1 -4.449 -1.863 -7.881 1.00 0.20 C HETATM 1087 O ARG A 1 -5.394 -1.075 -7.876 1.00 -0.39 O HETATM 1088 N ARG A 1 -4.606 -3.184 -7.896 1.00 -0.26 N HETATM 1089 CA ARG A 1 -5.931 -3.794 -7.907 1.00 0.13 C HETATM 1090 C ARG A 1 -6.682 -3.488 -6.615 1.00 0.20 C HETATM 1091 O ARG A 1 -7.824 -3.028 -6.643 1.00 -0.39 O HETATM 1092 N ARG A 1 -6.035 -3.748 -5.484 1.00 -0.26 N HETATM 1093 CA ARG A 1 -6.642 -3.500 -4.181 1.00 0.13 C HETATM 1094 C ARG A 1 -7.005 -2.029 -4.015 1.00 0.20 C HETATM 1095 O ARG A 1 -8.060 -1.696 -3.474 1.00 -0.39 O HETATM 1096 N ARG A 1 -6.123 -1.150 -4.482 1.00 -0.26 N HETATM 1097 CA ARG A 1 -6.351 0.288 -4.384 1.00 0.14 C HETATM 1098 C ARG A 1 -7.586 0.701 -5.180 1.00 0.20 C HETATM 1099 O ARG A 1 -8.436 1.442 -4.684 1.00 -0.39 O HETATM 1100 N ARG A 1 -7.678 0.218 -6.414 1.00 -0.26 N HETATM 1101 CA ARG A 1 -8.808 0.539 -7.278 1.00 0.13 C HETATM 1102 C ARG A 1 -10.070 -0.190 -6.822 1.00 0.20 C HETATM 1103 O ARG A 1 -11.117 0.426 -6.628 1.00 -0.39 O HETATM 1104 N ARG A 1 -9.960 -1.503 -6.656 1.00 -0.26 N HETATM 1105 CA ARG A 1 -11.091 -2.316 -6.225 1.00 0.14 C HETATM 1106 C ARG A 1 -11.392 -2.089 -4.743 1.00 0.20 C HETATM 1107 O ARG A 1 -11.149 -2.958 -3.904 1.00 -0.39 O HETATM 1108 N ARG A 1 -11.923 -0.912 -4.429 1.00 -0.27 N HETATM 1109 CA ARG A 1 -12.248 -0.587 -3.054 1.00 0.08 C HETATM 1110 C ARG A 1 -13.433 0.354 -2.943 1.00 0.06 C HETATM 1111 O ARG A 1 -14.355 0.247 -3.778 1.00 -0.57 O HETATM 1112 OXT ARG A 1 -13.436 1.198 -2.023 1.00 -0.57 O HETATM 1113 H125 ARG A 1 -11.373 -0.109 -2.588 1.00 0.07 H HETATM 1114 H126 ARG A 1 -12.486 -1.518 -2.518 1.00 0.07 H HETATM 1115 H124 ARG A 1 -12.101 -0.242 -5.150 1.00 0.19 H HETATM 1116 CB ARG A 1 -10.810 -3.799 -6.490 1.00 0.02 C HETATM 1117 CG ARG A 1 -10.993 -4.200 -7.937 1.00 -0.05 C HETATM 1118 CD1 ARG A 1 -12.260 -4.437 -8.457 1.00 -0.07 C HETATM 1119 CE1 ARG A 1 -12.431 -4.803 -9.778 1.00 -0.04 C HETATM 1120 CZ ARG A 1 -11.330 -4.939 -10.597 1.00 0.08 C HETATM 1121 CE2 ARG A 1 -10.063 -4.710 -10.105 1.00 -0.04 C HETATM 1122 CD2 ARG A 1 -9.899 -4.344 -8.781 1.00 -0.07 C HETATM 1123 H120 ARG A 1 -8.901 -4.167 -8.396 1.00 0.05 H HETATM 1124 H122 ARG A 1 -9.200 -4.816 -10.752 1.00 0.05 H HETATM 1125 OH ARG A 1 -11.498 -5.304 -11.913 1.00 -0.34 O HETATM 1126 H123 ARG A 1 -12.423 -5.423 -12.092 1.00 0.25 H HETATM 1127 H121 ARG A 1 -13.426 -4.982 -10.169 1.00 0.05 H HETATM 1128 H119 ARG A 1 -13.128 -4.333 -7.816 1.00 0.05 H HETATM 1129 H117 ARG A 1 -11.496 -4.399 -5.873 1.00 0.05 H HETATM 1130 H118 ARG A 1 -9.771 -4.014 -6.198 1.00 0.05 H HETATM 1131 H116 ARG A 1 -11.975 -2.018 -6.808 1.00 0.08 H HETATM 1132 H115 ARG A 1 -9.080 -1.945 -6.831 1.00 0.19 H HETATM 1133 CB ARG A 1 -8.491 0.170 -8.729 1.00 -0.00 C HETATM 1134 CG ARG A 1 -9.444 0.791 -9.736 1.00 -0.00 C HETATM 1135 SD ARG A 1 -9.186 0.169 -11.408 1.00 -0.16 S HETATM 1136 CE ARG A 1 -10.336 -1.204 -11.441 1.00 -0.02 C HETATM 1137 H112 ARG A 1 -10.292 -1.696 -12.424 1.00 0.03 H HETATM 1138 H113 ARG A 1 -11.356 -0.833 -11.263 1.00 0.03 H HETATM 1139 H114 ARG A 1 -10.067 -1.927 -10.657 1.00 0.03 H HETATM 1140 H110 ARG A 1 -9.293 1.881 -9.738 1.00 0.04 H HETATM 1141 H111 ARG A 1 -10.476 0.564 -9.431 1.00 0.04 H HETATM 1142 H108 ARG A 1 -8.544 -0.924 -8.829 1.00 0.03 H HETATM 1143 H109 ARG A 1 -7.471 0.511 -8.960 1.00 0.03 H HETATM 1144 H107 ARG A 1 -8.991 1.622 -7.223 1.00 0.08 H HETATM 1145 H106 ARG A 1 -6.955 -0.380 -6.759 1.00 0.19 H HETATM 1146 CB ARG A 1 -5.126 1.055 -4.886 1.00 0.04 C HETATM 1147 SG ARG A 1 -3.724 1.059 -3.723 1.00 -0.09 S HETATM 1148 SG ARG A 1 -3.160 3.008 -3.652 1.00 -0.09 S HETATM 1149 CB ARG A 1 -1.614 3.049 -4.619 1.00 0.04 C HETATM 1150 H24 ARG A 1 -1.821 2.639 -5.619 1.00 0.04 H HETATM 1151 H25 ARG A 1 -1.292 4.097 -4.712 1.00 0.04 H HETATM 1152 H104 ARG A 1 -5.423 2.098 -5.072 1.00 0.04 H HETATM 1153 H105 ARG A 1 -4.792 0.595 -5.828 1.00 0.04 H HETATM 1154 H103 ARG A 1 -6.516 0.543 -3.327 1.00 0.08 H HETATM 1155 H102 ARG A 1 -5.283 -1.483 -4.911 1.00 0.19 H HETATM 1156 CB ARG A 1 -5.692 -3.932 -3.062 1.00 -0.01 C HETATM 1157 CG ARG A 1 -5.561 -5.440 -2.923 1.00 -0.02 C HETATM 1158 CD ARG A 1 -5.145 -5.834 -1.515 1.00 0.06 C HETATM 1159 NE ARG A 1 -3.725 -5.579 -1.270 1.00 -0.27 N HETATM 1160 CZ ARG A 1 -3.163 -5.552 -0.058 1.00 0.29 C HETATM 1161 NH1 ARG A 1 -3.889 -5.763 1.036 1.00 -0.28 N HETATM 1162 H98 ARG A 1 -3.442 -5.739 1.964 1.00 0.26 H HETATM 1163 H99 ARG A 1 -4.899 -5.950 0.956 1.00 0.26 H HETATM 1164 NH2 ARG A 1 -1.865 -5.310 0.059 1.00 -0.28 N HETATM 1165 H100 ARG A 1 -1.294 -5.145 -0.782 1.00 0.26 H HETATM 1166 H101 ARG A 1 -1.427 -5.287 0.991 1.00 0.26 H HETATM 1167 H97 ARG A 1 -3.119 -5.409 -2.085 1.00 0.26 H HETATM 1168 H95 ARG A 1 -5.342 -6.907 -1.374 1.00 0.07 H HETATM 1169 H96 ARG A 1 -5.739 -5.254 -0.794 1.00 0.07 H HETATM 1170 H93 ARG A 1 -4.803 -5.800 -3.634 1.00 0.03 H HETATM 1171 H94 ARG A 1 -6.530 -5.906 -3.153 1.00 0.03 H HETATM 1172 H91 ARG A 1 -6.068 -3.526 -2.111 1.00 0.03 H HETATM 1173 H92 ARG A 1 -4.696 -3.514 -3.271 1.00 0.03 H HETATM 1174 H90 ARG A 1 -7.564 -4.096 -4.109 1.00 0.08 H HETATM 1175 H89 ARG A 1 -5.109 -4.123 -5.527 1.00 0.19 H HETATM 1176 CB ARG A 1 -5.815 -5.307 -8.096 1.00 -0.01 C HETATM 1177 CG ARG A 1 -5.596 -5.724 -9.541 1.00 -0.02 C HETATM 1178 CD ARG A 1 -5.879 -7.204 -9.743 1.00 0.06 C HETATM 1179 NE ARG A 1 -4.768 -8.041 -9.290 1.00 -0.27 N HETATM 1180 CZ ARG A 1 -4.876 -9.342 -9.002 1.00 0.29 C HETATM 1181 NH1 ARG A 1 -6.041 -9.972 -9.114 1.00 -0.28 N HETATM 1182 H85 ARG A 1 -6.108 -10.975 -8.888 1.00 0.26 H HETATM 1183 H86 ARG A 1 -6.877 -9.457 -9.426 1.00 0.26 H HETATM 1184 NH2 ARG A 1 -3.807 -10.015 -8.599 1.00 -0.28 N HETATM 1185 H87 ARG A 1 -2.900 -9.535 -8.509 1.00 0.26 H HETATM 1186 H88 ARG A 1 -3.884 -11.018 -8.376 1.00 0.26 H HETATM 1187 H84 ARG A 1 -3.843 -7.600 -9.186 1.00 0.26 H HETATM 1188 H82 ARG A 1 -6.050 -7.390 -10.813 1.00 0.07 H HETATM 1189 H83 ARG A 1 -6.782 -7.474 -9.175 1.00 0.07 H HETATM 1190 H80 ARG A 1 -4.551 -5.519 -9.818 1.00 0.03 H HETATM 1191 H81 ARG A 1 -6.268 -5.140 -10.187 1.00 0.03 H HETATM 1192 H78 ARG A 1 -6.743 -5.775 -7.736 1.00 0.03 H HETATM 1193 H79 ARG A 1 -4.966 -5.668 -7.497 1.00 0.03 H HETATM 1194 H77 ARG A 1 -6.500 -3.376 -8.750 1.00 0.08 H HETATM 1195 H76 ARG A 1 -3.797 -3.772 -7.900 1.00 0.19 H HETATM 1196 CB ARG A 1 -2.400 -1.420 -9.281 1.00 -0.01 C HETATM 1197 CG ARG A 1 -2.275 -0.068 -9.990 1.00 -0.04 C HETATM 1198 CD1 ARG A 1 -1.250 -0.141 -11.111 1.00 -0.06 C HETATM 1199 H70 ARG A 1 -1.177 0.839 -11.605 1.00 0.02 H HETATM 1200 H71 ARG A 1 -1.562 -0.899 -11.844 1.00 0.02 H HETATM 1201 H72 ARG A 1 -0.270 -0.415 -10.694 1.00 0.02 H HETATM 1202 CD2 ARG A 1 -3.626 0.377 -10.531 1.00 -0.06 C HETATM 1203 H73 ARG A 1 -4.353 0.424 -9.707 1.00 0.02 H HETATM 1204 H74 ARG A 1 -3.974 -0.343 -11.287 1.00 0.02 H HETATM 1205 H75 ARG A 1 -3.527 1.372 -10.990 1.00 0.02 H HETATM 1206 H69 ARG A 1 -1.933 0.677 -9.257 1.00 0.03 H HETATM 1207 H67 ARG A 1 -3.036 -2.072 -9.898 1.00 0.03 H HETATM 1208 H68 ARG A 1 -1.394 -1.858 -9.201 1.00 0.03 H HETATM 1209 H66 ARG A 1 -3.012 -0.307 -7.544 1.00 0.08 H HETATM 1210 H65 ARG A 1 -1.393 -2.621 -7.276 1.00 0.19 H HETATM 1211 CB ARG A 1 -0.322 -2.191 -4.380 1.00 -0.02 C HETATM 1212 H62 ARG A 1 -0.639 -1.262 -3.884 1.00 0.03 H HETATM 1213 H63 ARG A 1 0.253 -1.946 -5.285 1.00 0.03 H HETATM 1214 H64 ARG A 1 0.307 -2.776 -3.694 1.00 0.03 H HETATM 1215 H61 ARG A 1 -2.091 -3.271 -3.843 1.00 0.08 H HETATM 1216 H60 ARG A 1 -0.171 -4.431 -5.551 1.00 0.19 H HETATM 1217 CB ARG A 1 -1.080 -7.409 -5.471 1.00 -0.02 C HETATM 1218 H57 ARG A 1 -1.953 -7.642 -4.844 1.00 0.03 H HETATM 1219 H58 ARG A 1 -0.275 -7.003 -4.842 1.00 0.03 H HETATM 1220 H59 ARG A 1 -0.730 -8.326 -5.967 1.00 0.03 H HETATM 1221 H56 ARG A 1 -2.254 -6.816 -7.160 1.00 0.08 H HETATM 1222 H55 ARG A 1 0.595 -6.314 -7.054 1.00 0.19 H HETATM 1223 CB ARG A 1 1.088 -6.333 -10.287 1.00 -0.01 C HETATM 1224 CG1 ARG A 1 -0.029 -6.447 -11.317 1.00 -0.06 C HETATM 1225 H49 ARG A 1 0.185 -7.283 -11.999 1.00 0.02 H HETATM 1226 H50 ARG A 1 -0.094 -5.512 -11.893 1.00 0.02 H HETATM 1227 H51 ARG A 1 -0.985 -6.628 -10.803 1.00 0.02 H HETATM 1228 CG2 ARG A 1 2.436 -6.151 -10.969 1.00 -0.06 C HETATM 1229 H52 ARG A 1 3.225 -6.071 -10.207 1.00 0.02 H HETATM 1230 H53 ARG A 1 2.419 -5.234 -11.576 1.00 0.02 H HETATM 1231 H54 ARG A 1 2.639 -7.016 -11.617 1.00 0.02 H HETATM 1232 H48 ARG A 1 1.118 -7.268 -9.708 1.00 0.03 H HETATM 1233 H47 ARG A 1 0.679 -4.248 -9.900 1.00 0.08 H HETATM 1234 H46 ARG A 1 2.676 -5.647 -8.378 1.00 0.19 H HETATM 1235 CB ARG A 1 3.271 -4.953 -5.739 1.00 0.08 C HETATM 1236 OG ARG A 1 2.306 -4.754 -4.720 1.00 -0.39 O HETATM 1237 H45 ARG A 1 2.331 -5.485 -4.114 1.00 0.21 H HETATM 1238 H43 ARG A 1 4.268 -5.025 -5.280 1.00 0.06 H HETATM 1239 H44 ARG A 1 3.044 -5.888 -6.271 1.00 0.06 H HETATM 1240 H42 ARG A 1 4.162 -3.870 -7.370 1.00 0.08 H HETATM 1241 H41 ARG A 1 2.438 -2.103 -5.739 1.00 0.19 H HETATM 1242 CB ARG A 1 4.055 -0.815 -3.556 1.00 -0.00 C HETATM 1243 CG ARG A 1 5.309 -1.115 -2.751 1.00 0.00 C HETATM 1244 CD ARG A 1 6.248 0.073 -2.671 1.00 0.04 C HETATM 1245 OE1 ARG A 1 7.061 0.250 -3.602 1.00 -0.57 O HETATM 1246 OE2 ARG A 1 6.172 0.825 -1.676 1.00 -0.57 O HETATM 1247 H39 ARG A 1 5.840 -1.953 -3.226 1.00 0.04 H HETATM 1248 H40 ARG A 1 5.013 -1.399 -1.730 1.00 0.04 H HETATM 1249 H37 ARG A 1 3.372 -1.673 -3.469 1.00 0.03 H HETATM 1250 H38 ARG A 1 3.576 0.080 -3.133 1.00 0.03 H HETATM 1251 H36 ARG A 1 5.281 -0.022 -5.137 1.00 0.08 H HETATM 1252 H35 ARG A 1 2.348 -0.123 -5.702 1.00 0.19 H HETATM 1253 CB ARG A 1 2.747 3.486 -7.382 1.00 0.02 C HETATM 1254 CG ARG A 1 1.663 4.125 -8.208 1.00 -0.04 C HETATM 1255 CD1 ARG A 1 0.799 3.349 -8.966 1.00 -0.06 C HETATM 1256 CE1 ARG A 1 -0.194 3.933 -9.728 1.00 -0.07 C HETATM 1257 CZ ARG A 1 -0.335 5.306 -9.740 1.00 -0.07 C HETATM 1258 CE2 ARG A 1 0.520 6.092 -8.990 1.00 -0.07 C HETATM 1259 CD2 ARG A 1 1.512 5.501 -8.230 1.00 -0.06 C HETATM 1260 H31 ARG A 1 2.180 6.122 -7.644 1.00 0.06 H HETATM 1261 H33 ARG A 1 0.413 7.171 -8.998 1.00 0.06 H HETATM 1262 H34 ARG A 1 -1.114 5.767 -10.336 1.00 0.06 H HETATM 1263 H32 ARG A 1 -0.862 3.314 -10.316 1.00 0.06 H HETATM 1264 H30 ARG A 1 0.904 2.270 -8.960 1.00 0.06 H HETATM 1265 H28 ARG A 1 3.570 3.200 -8.053 1.00 0.05 H HETATM 1266 H29 ARG A 1 3.108 4.226 -6.653 1.00 0.05 H HETATM 1267 H27 ARG A 1 1.779 1.565 -7.323 1.00 0.08 H HETATM 1268 H26 ARG A 1 1.371 3.532 -5.194 1.00 0.19 H HETATM 1269 H23 ARG A 1 -0.891 1.384 -3.466 1.00 0.08 H HETATM 1270 H22 ARG A 1 0.247 4.065 -3.139 1.00 0.19 H HETATM 1271 CB ARG A 1 3.168 3.508 -1.423 1.00 0.08 C HETATM 1272 CG ARG A 1 3.846 4.785 -0.966 1.00 0.18 C HETATM 1273 OD1 ARG A 1 3.913 5.766 -1.706 1.00 -0.40 O HETATM 1274 ND2 ARG A 1 4.355 4.778 0.262 1.00 -0.30 N HETATM 1275 H20 ARG A 1 4.814 5.592 0.618 1.00 0.18 H HETATM 1276 H21 ARG A 1 4.279 3.959 0.830 1.00 0.18 H HETATM 1277 H18 ARG A 1 3.304 3.405 -2.510 1.00 0.06 H HETATM 1278 H19 ARG A 1 3.639 2.655 -0.912 1.00 0.06 H HETATM 1279 H17 ARG A 1 1.270 4.510 -1.286 1.00 0.08 H HETATM 1280 H16 ARG A 1 2.221 2.854 0.844 1.00 0.19 H HETATM 1281 CB ARG A 1 0.693 1.403 2.508 1.00 0.01 C HETATM 1282 CG ARG A 1 -0.154 0.325 1.851 1.00 -0.01 C HETATM 1283 CD ARG A 1 0.699 -0.841 1.376 1.00 0.06 C HETATM 1284 NE ARG A 1 1.563 -1.357 2.438 1.00 -0.27 N HETATM 1285 CZ ARG A 1 2.672 -2.071 2.226 1.00 0.29 C HETATM 1286 NH1 ARG A 1 3.069 -2.363 0.991 1.00 -0.28 N HETATM 1287 H12 ARG A 1 3.926 -2.914 0.842 1.00 0.26 H HETATM 1288 H13 ARG A 1 2.519 -2.038 0.183 1.00 0.26 H HETATM 1289 NH2 ARG A 1 3.388 -2.494 3.258 1.00 -0.28 N HETATM 1290 H14 ARG A 1 3.088 -2.273 4.218 1.00 0.26 H HETATM 1291 H15 ARG A 1 4.244 -3.044 3.100 1.00 0.26 H HETATM 1292 H11 ARG A 1 1.299 -1.157 3.413 1.00 0.26 H HETATM 1293 H9 ARG A 1 1.328 -0.503 0.539 1.00 0.07 H HETATM 1294 H10 ARG A 1 0.036 -1.649 1.033 1.00 0.07 H HETATM 1295 H7 ARG A 1 -0.679 0.759 0.987 1.00 0.03 H HETATM 1296 H8 ARG A 1 -0.891 -0.044 2.580 1.00 0.03 H HETATM 1297 H5 ARG A 1 0.740 1.198 3.588 1.00 0.03 H HETATM 1298 H6 ARG A 1 1.706 1.357 2.082 1.00 0.03 H HETATM 1299 H4 ARG A 1 0.748 3.525 2.899 1.00 0.11 H HETATM 1300 H1 ARG A 1 -1.288 2.591 3.759 1.00 0.20 H HETATM 1301 H2 ARG A 1 -1.815 2.213 2.246 1.00 0.20 H HETATM 1302 H3 ARG A 1 -1.625 3.789 2.681 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 77 76 683 CONECT 248 247 909 CONECT 673 672 748 CONECT 683 77 682 CONECT 748 673 747 CONECT 909 248 908 CONECT 1048 1049 1300 1301 1302 CONECT 1049 1048 1050 1281 1299 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 1053 1280 CONECT 1053 1052 1054 1271 1279 CONECT 1054 1053 1055 1056 CONECT 1055 1054 CONECT 1056 1054 1057 1270 CONECT 1057 1056 1058 1149 1269 CONECT 1058 1057 1059 1060 CONECT 1059 1058 CONECT 1060 1058 1061 1268 CONECT 1061 1060 1062 1253 1267 CONECT 1062 1061 1063 1064 CONECT 1063 1062 CONECT 1064 1062 1065 1252 CONECT 1065 1064 1066 1242 1251 CONECT 1066 1065 1067 1068 CONECT 1067 1066 CONECT 1068 1066 1069 1241 CONECT 1069 1068 1070 1235 1240 CONECT 1070 1069 1071 1072 CONECT 1071 1070 CONECT 1072 1070 1073 1234 CONECT 1073 1072 1074 1223 1233 CONECT 1074 1073 1075 1076 CONECT 1075 1074 CONECT 1076 1074 1077 1222 CONECT 1077 1076 1078 1217 1221 CONECT 1078 1077 1079 1080 CONECT 1079 1078 CONECT 1080 1078 1081 1216 CONECT 1081 1080 1082 1211 1215 CONECT 1082 1081 1083 1084 CONECT 1083 1082 CONECT 1084 1082 1085 1210 CONECT 1085 1084 1086 1196 1209 CONECT 1086 1085 1087 1088 CONECT 1087 1086 CONECT 1088 1086 1089 1195 CONECT 1089 1088 1090 1176 1194 CONECT 1090 1089 1091 1092 CONECT 1091 1090 CONECT 1092 1090 1093 1175 CONECT 1093 1092 1094 1156 1174 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1155 CONECT 1097 1096 1098 1146 1154 CONECT 1098 1097 1099 1100 CONECT 1099 1098 CONECT 1100 1098 1101 1145 CONECT 1101 1100 1102 1133 1144 CONECT 1102 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 1105 1132 CONECT 1105 1104 1106 1116 1131 CONECT 1106 1105 1107 1108 CONECT 1107 1106 CONECT 1108 1106 1109 1115 CONECT 1109 1108 1110 1113 1114 CONECT 1110 1109 1111 1112 CONECT 1111 1110 CONECT 1112 1110 CONECT 1113 1109 CONECT 1114 1109 CONECT 1115 1108 CONECT 1116 1105 1117 1129 1130 CONECT 1117 1116 1118 1122 CONECT 1118 1117 1119 1128 CONECT 1119 1118 1120 1127 CONECT 1120 1119 1121 1125 CONECT 1121 1120 1122 1124 CONECT 1122 1117 1121 1123 CONECT 1123 1122 CONECT 1124 1121 CONECT 1125 1120 1126 CONECT 1126 1125 CONECT 1127 1119 CONECT 1128 1118 CONECT 1129 1116 CONECT 1130 1116 CONECT 1131 1105 CONECT 1132 1104 CONECT 1133 1101 1134 1142 1143 CONECT 1134 1133 1135 1140 1141 CONECT 1135 1134 1136 CONECT 1136 1135 1137 1138 1139 CONECT 1137 1136 CONECT 1138 1136 CONECT 1139 1136 CONECT 1140 1134 CONECT 1141 1134 CONECT 1142 1133 CONECT 1143 1133 CONECT 1144 1101 CONECT 1145 1100 CONECT 1146 1097 1147 1152 1153 CONECT 1147 1146 1148 CONECT 1148 1147 1149 CONECT 1149 1057 1148 1150 1151 CONECT 1150 1149 CONECT 1151 1149 CONECT 1152 1146 CONECT 1153 1146 CONECT 1154 1097 CONECT 1155 1096 CONECT 1156 1093 1157 1172 1173 CONECT 1157 1156 1158 1170 1171 CONECT 1158 1157 1159 1168 1169 CONECT 1159 1158 1160 1167 CONECT 1160 1159 1161 1164 CONECT 1161 1160 1162 1163 CONECT 1162 1161 CONECT 1163 1161 CONECT 1164 1160 1165 1166 CONECT 1165 1164 CONECT 1166 1164 CONECT 1167 1159 CONECT 1168 1158 CONECT 1169 1158 CONECT 1170 1157 CONECT 1171 1157 CONECT 1172 1156 CONECT 1173 1156 CONECT 1174 1093 CONECT 1175 1092 CONECT 1176 1089 1177 1192 1193 CONECT 1177 1176 1178 1190 1191 CONECT 1178 1177 1179 1188 1189 CONECT 1179 1178 1180 1187 CONECT 1180 1179 1181 1184 CONECT 1181 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 CONECT 1184 1180 1185 1186 CONECT 1185 1184 CONECT 1186 1184 CONECT 1187 1179 CONECT 1188 1178 CONECT 1189 1178 CONECT 1190 1177 CONECT 1191 1177 CONECT 1192 1176 CONECT 1193 1176 CONECT 1194 1089 CONECT 1195 1088 CONECT 1196 1085 1197 1207 1208 CONECT 1197 1196 1198 1202 1206 CONECT 1198 1197 1199 1200 1201 CONECT 1199 1198 CONECT 1200 1198 CONECT 1201 1198 CONECT 1202 1197 1203 1204 1205 CONECT 1203 1202 CONECT 1204 1202 CONECT 1205 1202 CONECT 1206 1197 CONECT 1207 1196 CONECT 1208 1196 CONECT 1209 1085 CONECT 1210 1084 CONECT 1211 1081 1212 1213 1214 CONECT 1212 1211 CONECT 1213 1211 CONECT 1214 1211 CONECT 1215 1081 CONECT 1216 1080 CONECT 1217 1077 1218 1219 1220 CONECT 1218 1217 CONECT 1219 1217 CONECT 1220 1217 CONECT 1221 1077 CONECT 1222 1076 CONECT 1223 1073 1224 1228 1232 CONECT 1224 1223 1225 1226 1227 CONECT 1225 1224 CONECT 1226 1224 CONECT 1227 1224 CONECT 1228 1223 1229 1230 1231 CONECT 1229 1228 CONECT 1230 1228 CONECT 1231 1228 CONECT 1232 1223 CONECT 1233 1073 CONECT 1234 1072 CONECT 1235 1069 1236 1238 1239 CONECT 1236 1235 1237 CONECT 1237 1236 CONECT 1238 1235 CONECT 1239 1235 CONECT 1240 1069 CONECT 1241 1068 CONECT 1242 1065 1243 1249 1250 CONECT 1243 1242 1244 1247 1248 CONECT 1244 1243 1245 1246 CONECT 1245 1244 CONECT 1246 1244 CONECT 1247 1243 CONECT 1248 1243 CONECT 1249 1242 CONECT 1250 1242 CONECT 1251 1065 CONECT 1252 1064 CONECT 1253 1061 1254 1265 1266 CONECT 1254 1253 1255 1259 CONECT 1255 1254 1256 1264 CONECT 1256 1255 1257 1263 CONECT 1257 1256 1258 1262 CONECT 1258 1257 1259 1261 CONECT 1259 1254 1258 1260 CONECT 1260 1259 CONECT 1261 1258 CONECT 1262 1257 CONECT 1263 1256 CONECT 1264 1255 CONECT 1265 1253 CONECT 1266 1253 CONECT 1267 1061 CONECT 1268 1060 CONECT 1269 1057 CONECT 1270 1056 CONECT 1271 1053 1272 1277 1278 CONECT 1272 1271 1273 1274 CONECT 1273 1272 CONECT 1274 1272 1275 1276 CONECT 1275 1274 CONECT 1276 1274 CONECT 1277 1271 CONECT 1278 1271 CONECT 1279 1053 CONECT 1280 1052 CONECT 1281 1049 1282 1297 1298 CONECT 1282 1281 1283 1295 1296 CONECT 1283 1282 1284 1293 1294 CONECT 1284 1283 1285 1292 CONECT 1285 1284 1286 1289 CONECT 1286 1285 1287 1288 CONECT 1287 1286 CONECT 1288 1286 CONECT 1289 1285 1290 1291 CONECT 1290 1289 CONECT 1291 1289 CONECT 1292 1284 CONECT 1293 1283 CONECT 1294 1283 CONECT 1295 1282 CONECT 1296 1282 CONECT 1297 1281 CONECT 1298 1281 CONECT 1299 1049 CONECT 1300 1048 CONECT 1301 1048 CONECT 1302 1048 MASTER 0 0 0 0 0 0 0 0 1301 1 265 6 END
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Entry Information
PDB ID
1pmx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Insulin-like growth factor IB(IGF-I)
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
IC50=7.2uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
(2003) Biochemistry Vol. 42: pp. 9324-9334
Ligand Properties
Formula
C
7
8
H
1
2
8
N
2
6
O
2
2
S
3
Molecular Weight
1878.210
Exact Mass
1876.890
No. of atoms
257
No. of bonds
259
Polar Surface Area
896.22
LOGP Value
0.79 (
Computed with XLOGP3
)
-5.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 44
No. of Nitrogen and Oxygen Atoms: 48
No. of Rings: 3
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CC(=O)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)CC(C)C)C)C)C(C)C
InChI String
InChI=1S/C78H124N26O22S3/c1-38(2)30-50-69(120)94-46(17-12-27-88-77(83)84)65(116)93-47(18-13-28-89-78(85)86)66(117)102-55(73(124)96-49(25-29-127-7)68(119)99-51(64(115)90-34-59(110)111)32-43-19-21-44(106)22-20-43)36-128-129-37-56(103-71(122)53(33-57(80)107)98-63(114)45(79)16-11-26-87-76(81)82)74(125)100-52(31-42-14-9-8-10-15-42)70(121)95-48(23-24-58(108)109)67(118)101-54(35-105)72(123)104-60(39(3)4)75(126)92-40(5)61(112)91-41(6)62(113)97-50/h8-10,14-15,19-22,38-41,45-56,60,105-106H,11-13,16-18,23-37,79H2,1-7H3,(H2,80,107)(H,90,115)(H,91,112)(H,92,126)(H,93,116)(H,94,120)(H,95,121)(H,96,124)(H,97,113)(H,98,114)(H,99,119)(H,100,125)(H,101,118)(H,102,117)(H,103,122)(H,104,123)(H,108,109)(H,110,111)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/p+4/t40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P05019
Entrez Gene ID
NCBI Entrez Gene ID:
3479
ASD
Information of known allosteric effects of PDB entries
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