Browse entries in the PDBbind-CN Database
HEADER 6GJW_COMPLEX COMPND 6GJW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 78 GLU GLU PHE VAL GLU GLU PHE ASN ARG LEU LYS THR PHE SEQRES 2 A 78 ALA ASN PHE PRO SER GLY SER PRO VAL SER ALA SER THR SEQRES 3 A 78 LEU ALA ARG ALA GLY PHE LEU TYR THR GLY GLU GLY ASP SEQRES 4 A 78 THR VAL ARG CYS PHE SER CYS HIS ALA ALA VAL ASP ARG SEQRES 5 A 78 TRP GLN TYR GLY ASP SER ALA VAL GLY ARG HIS ARG LYS SEQRES 6 A 78 VAL SER PRO ASN CYS ARG PHE ILE ASN GLY PHE TYR LEU SEQRES 1 D 78 GLU GLU PHE VAL GLU GLU PHE ASN ARG LEU LYS THR PHE SEQRES 2 D 78 ALA ASN PHE PRO SER GLY SER PRO VAL SER ALA SER THR SEQRES 3 D 78 LEU ALA ARG ALA GLY PHE LEU TYR THR GLY GLU GLY ASP SEQRES 4 D 78 THR VAL ARG CYS PHE SER CYS HIS ALA ALA VAL ASP ARG SEQRES 5 D 78 TRP GLN TYR GLY ASP SER ALA VAL GLY ARG HIS ARG LYS SEQRES 6 D 78 VAL SER PRO ASN CYS ARG PHE ILE ASN GLY PHE TYR LEU HET ZN A 1 1 HET ZN A 2 1 HET F A 2H 80 ATOM 1 N GLU A 21 -0.475 -12.339 10.275 1.00 50.89 N ATOM 2 CA GLU A 21 -1.626 -13.116 9.759 1.00 56.10 C ATOM 3 C GLU A 21 -2.304 -12.290 8.647 1.00 56.88 C ATOM 4 O GLU A 21 -1.744 -12.178 7.543 1.00 53.54 O ATOM 5 CB GLU A 21 -2.576 -13.485 10.912 1.00 60.23 C ATOM 6 CG GLU A 21 -1.935 -14.308 12.018 1.00 64.57 C ATOM 7 CD GLU A 21 -2.714 -14.248 13.330 1.00 67.80 C ATOM 8 OE1 GLU A 21 -3.846 -14.770 13.368 1.00 69.24 O ATOM 9 OE2 GLU A 21 -2.191 -13.695 14.325 1.00 66.46 O ATOM 10 HN3 GLU A 21 -0.813 -11.433 10.657 1.00 0.00 H ATOM 11 HN2 GLU A 21 0.196 -12.161 9.501 1.00 0.00 H ATOM 12 HN1 GLU A 21 -0.003 -12.880 11.028 1.00 0.00 H ATOM 13 N GLU A 22 -3.463 -11.684 8.942 1.00 56.05 N ATOM 14 CA GLU A 22 -4.089 -10.700 8.052 1.00 49.67 C ATOM 15 C GLU A 22 -3.311 -9.370 7.966 1.00 39.28 C ATOM 16 O GLU A 22 -3.391 -8.675 6.963 1.00 36.86 O ATOM 17 CB GLU A 22 -5.556 -10.472 8.436 1.00 56.88 C ATOM 18 CG GLU A 22 -5.856 -9.602 9.644 1.00 58.68 C ATOM 19 CD GLU A 22 -7.222 -8.939 9.493 1.00 60.94 C ATOM 20 OE1 GLU A 22 -7.299 -7.671 9.449 1.00 52.04 O ATOM 21 OE2 GLU A 22 -8.211 -9.709 9.366 1.00 58.12 O ATOM 22 H GLU A 22 -3.937 -11.921 9.837 1.00 0.00 H ATOM 23 N PHE A 23 -2.473 -9.101 8.961 1.00 31.60 N ATOM 24 CA PHE A 23 -1.675 -7.890 8.992 1.00 31.33 C ATOM 25 C PHE A 23 -0.406 -7.889 8.137 1.00 27.54 C ATOM 26 O PHE A 23 0.315 -6.890 8.089 1.00 32.01 O ATOM 27 CB PHE A 23 -1.410 -7.517 10.440 1.00 29.36 C ATOM 28 CG PHE A 23 -2.628 -7.046 11.163 1.00 30.53 C ATOM 29 CD1 PHE A 23 -3.323 -5.915 10.734 1.00 32.74 C ATOM 30 CD2 PHE A 23 -3.057 -7.681 12.312 1.00 35.34 C ATOM 31 CE1 PHE A 23 -4.414 -5.438 11.434 1.00 32.27 C ATOM 32 CE2 PHE A 23 -4.150 -7.200 13.022 1.00 34.65 C ATOM 33 CZ PHE A 23 -4.839 -6.091 12.561 1.00 35.29 C ATOM 34 H PHE A 23 -2.386 -9.781 9.743 1.00 0.00 H ATOM 35 N VAL A 24 -0.228 -8.931 7.348 1.00 26.33 N ATOM 36 CA VAL A 24 0.832 -8.978 6.349 1.00 28.07 C ATOM 37 C VAL A 24 0.571 -7.924 5.268 1.00 26.67 C ATOM 38 O VAL A 24 1.501 -7.260 4.858 1.00 25.01 O ATOM 39 CB VAL A 24 1.010 -10.426 5.780 1.00 31.13 C ATOM 40 CG1 VAL A 24 2.086 -10.473 4.718 1.00 30.67 C ATOM 41 CG2 VAL A 24 1.414 -11.371 6.902 1.00 30.13 C ATOM 42 H VAL A 24 -0.866 -9.747 7.442 1.00 0.00 H ATOM 43 N GLU A 25 -0.703 -7.742 4.869 1.00 23.74 N ATOM 44 CA GLU A 25 -1.107 -6.638 4.001 1.00 24.81 C ATOM 45 C GLU A 25 -1.044 -5.272 4.701 1.00 24.28 C ATOM 46 O GLU A 25 -1.633 -5.077 5.763 1.00 25.82 O ATOM 47 CB GLU A 25 -2.466 -6.880 3.328 1.00 23.70 C ATOM 48 CG GLU A 25 -2.451 -8.002 2.312 1.00 24.40 C ATOM 49 CD GLU A 25 -1.524 -7.743 1.134 1.00 24.59 C ATOM 50 OE1 GLU A 25 -1.501 -6.605 0.620 1.00 28.51 O ATOM 51 OE2 GLU A 25 -0.802 -8.660 0.702 1.00 25.34 O ATOM 52 H GLU A 25 -1.428 -8.414 5.192 1.00 0.00 H ATOM 53 N GLU A 26 -0.323 -4.348 4.063 1.00 22.45 N ATOM 54 CA GLU A 26 -0.315 -2.929 4.410 1.00 21.91 C ATOM 55 C GLU A 26 -1.669 -2.279 4.652 1.00 23.29 C ATOM 56 O GLU A 26 -1.804 -1.482 5.616 1.00 24.01 O ATOM 57 CB GLU A 26 0.404 -2.147 3.335 1.00 22.86 C ATOM 58 CG GLU A 26 0.514 -0.637 3.541 1.00 25.36 C ATOM 59 CD GLU A 26 1.373 0.054 2.496 1.00 30.21 C ATOM 60 OE1 GLU A 26 1.938 -0.577 1.587 1.00 35.71 O ATOM 61 OE2 GLU A 26 1.497 1.283 2.566 1.00 41.47 O ATOM 62 H GLU A 26 0.271 -4.658 3.268 1.00 0.00 H ATOM 63 N PHE A 27 -2.631 -2.483 3.743 1.00 21.52 N ATOM 64 CA PHE A 27 -3.954 -1.919 3.883 1.00 22.41 C ATOM 65 C PHE A 27 -4.594 -2.385 5.215 1.00 21.24 C ATOM 66 O PHE A 27 -5.223 -1.589 5.931 1.00 21.93 O ATOM 67 CB PHE A 27 -4.836 -2.243 2.666 1.00 23.32 C ATOM 68 CG PHE A 27 -6.282 -1.927 2.860 1.00 23.94 C ATOM 69 CD1 PHE A 27 -6.758 -0.633 2.646 1.00 27.50 C ATOM 70 CD2 PHE A 27 -7.180 -2.920 3.254 1.00 27.01 C ATOM 71 CE1 PHE A 27 -8.108 -0.317 2.829 1.00 30.19 C ATOM 72 CE2 PHE A 27 -8.529 -2.619 3.432 1.00 27.95 C ATOM 73 CZ PHE A 27 -8.998 -1.318 3.233 1.00 30.78 C ATOM 74 H PHE A 27 -2.419 -3.067 2.909 1.00 0.00 H ATOM 75 N ASN A 28 -4.409 -3.634 5.580 1.00 21.54 N ATOM 76 CA ASN A 28 -4.924 -4.092 6.838 1.00 24.78 C ATOM 77 C ASN A 28 -4.252 -3.410 8.061 1.00 22.72 C ATOM 78 O ASN A 28 -4.884 -3.243 9.098 1.00 24.40 O ATOM 79 CB ASN A 28 -4.891 -5.623 6.933 1.00 24.51 C ATOM 80 CG ASN A 28 -5.952 -6.258 6.054 1.00 28.69 C ATOM 81 OD1 ASN A 28 -6.957 -5.602 5.743 1.00 25.68 O ATOM 82 ND2 ASN A 28 -5.745 -7.545 5.641 1.00 24.57 N ATOM 83 HD22 ASN A 28 -4.884 -8.052 5.930 1.00 0.00 H ATOM 84 HD21 ASN A 28 -6.448 -8.017 5.038 1.00 0.00 H ATOM 85 H ASN A 28 -3.891 -4.288 4.959 1.00 0.00 H ATOM 86 N ARG A 29 -3.011 -3.004 7.927 1.00 20.99 N ATOM 87 CA ARG A 29 -2.348 -2.345 9.043 1.00 21.64 C ATOM 88 C ARG A 29 -2.810 -0.921 9.026 1.00 20.05 C ATOM 89 O ARG A 29 -3.073 -0.379 10.045 1.00 21.47 O ATOM 90 CB ARG A 29 -0.807 -2.463 8.994 1.00 21.37 C ATOM 91 CG ARG A 29 -0.276 -3.860 8.935 1.00 21.78 C ATOM 92 CD ARG A 29 1.233 -4.002 9.129 1.00 21.46 C ATOM 93 NE ARG A 29 1.993 -3.363 8.057 1.00 23.83 N ATOM 94 CZ ARG A 29 2.345 -3.909 6.894 1.00 22.25 C ATOM 95 NH1 ARG A 29 2.045 -5.160 6.606 1.00 25.74 N ATOM 96 NH2 ARG A 29 2.997 -3.175 6.004 1.00 23.24 N ATOM 97 HE ARG A 29 2.290 -2.380 8.219 1.00 0.00 H ATOM 98 HH12 ARG A 29 2.330 -5.566 5.692 1.00 0.00 H ATOM 99 HH11 ARG A 29 1.524 -5.741 7.293 1.00 0.00 H ATOM 100 HH22 ARG A 29 3.277 -3.590 5.093 1.00 0.00 H ATOM 101 HH21 ARG A 29 3.229 -2.184 6.217 1.00 0.00 H ATOM 102 H ARG A 29 -2.505 -3.152 7.030 1.00 0.00 H ATOM 103 N LEU A 30 -2.939 -0.339 7.854 1.00 21.30 N ATOM 104 CA LEU A 30 -3.302 1.053 7.760 1.00 25.82 C ATOM 105 C LEU A 30 -4.683 1.284 8.371 1.00 26.02 C ATOM 106 O LEU A 30 -4.898 2.321 8.978 1.00 26.11 O ATOM 107 CB LEU A 30 -3.252 1.513 6.306 1.00 27.63 C ATOM 108 CG LEU A 30 -3.570 2.964 5.954 1.00 28.12 C ATOM 109 CD1 LEU A 30 -2.721 3.956 6.726 1.00 28.13 C ATOM 110 CD2 LEU A 30 -3.393 3.154 4.442 1.00 29.79 C ATOM 111 H LEU A 30 -2.778 -0.889 6.986 1.00 0.00 H ATOM 112 N LYS A 31 -5.571 0.292 8.283 1.00 26.09 N ATOM 113 CA LYS A 31 -6.888 0.419 8.873 1.00 30.58 C ATOM 114 C LYS A 31 -6.892 0.635 10.354 1.00 28.73 C ATOM 115 O LYS A 31 -7.854 1.222 10.855 1.00 31.14 O ATOM 116 CB LYS A 31 -7.791 -0.758 8.566 1.00 32.34 C ATOM 117 CG LYS A 31 -8.460 -0.692 7.204 1.00 35.07 C ATOM 118 CD LYS A 31 -9.521 -1.776 7.059 1.00 41.81 C ATOM 119 CE LYS A 31 -8.953 -3.176 6.952 1.00 49.63 C ATOM 120 NZ LYS A 31 -10.019 -4.241 6.984 1.00 57.45 N ATOM 121 HZ1 LYS A 31 -10.544 -4.177 7.879 1.00 0.00 H ATOM 122 HZ2 LYS A 31 -10.672 -4.100 6.187 1.00 0.00 H ATOM 123 HZ3 LYS A 31 -9.574 -5.178 6.907 1.00 0.00 H ATOM 124 H LYS A 31 -5.314 -0.584 7.784 1.00 0.00 H ATOM 125 N THR A 32 -5.825 0.220 11.056 1.00 26.30 N ATOM 126 CA THR A 32 -5.794 0.311 12.503 1.00 23.43 C ATOM 127 C THR A 32 -5.452 1.707 13.004 1.00 22.55 C ATOM 128 O THR A 32 -5.425 1.899 14.202 1.00 24.26 O ATOM 129 CB THR A 32 -4.814 -0.718 13.149 1.00 26.35 C ATOM 130 OG1 THR A 32 -3.442 -0.389 12.820 1.00 25.36 O ATOM 131 CG2 THR A 32 -5.129 -2.111 12.726 1.00 23.61 C ATOM 132 HG1 THR A 32 -3.326 -0.407 11.837 1.00 0.00 H ATOM 133 H THR A 32 -5.005 -0.174 10.552 1.00 0.00 H ATOM 134 N PHE A 33 -5.231 2.670 12.110 1.00 22.92 N ATOM 135 CA PHE A 33 -4.721 4.030 12.429 1.00 22.80 C ATOM 136 C PHE A 33 -5.790 5.119 12.547 1.00 24.76 C ATOM 137 O PHE A 33 -5.440 6.299 12.542 1.00 25.69 O ATOM 138 CB PHE A 33 -3.696 4.463 11.409 1.00 20.72 C ATOM 139 CG PHE A 33 -2.360 3.862 11.626 1.00 20.51 C ATOM 140 CD1 PHE A 33 -2.117 2.529 11.292 1.00 20.26 C ATOM 141 CD2 PHE A 33 -1.357 4.597 12.258 1.00 19.72 C ATOM 142 CE1 PHE A 33 -0.895 1.948 11.566 1.00 19.47 C ATOM 143 CE2 PHE A 33 -0.135 4.040 12.492 1.00 17.96 C ATOM 144 CZ PHE A 33 0.112 2.719 12.144 1.00 19.21 C ATOM 145 H PHE A 33 -5.431 2.454 11.112 1.00 0.00 H ATOM 146 N ALA A 34 -7.074 4.769 12.681 1.00 26.78 N ATOM 147 CA ALA A 34 -8.109 5.828 12.874 1.00 29.02 C ATOM 148 C ALA A 34 -7.848 6.537 14.226 1.00 29.57 C ATOM 149 O ALA A 34 -7.439 5.909 15.215 1.00 26.27 O ATOM 150 CB ALA A 34 -9.515 5.261 12.802 1.00 31.72 C ATOM 151 H ALA A 34 -7.350 3.767 12.651 1.00 0.00 H ATOM 152 N ASN A 35 -7.993 7.852 14.236 1.00 33.79 N ATOM 153 CA ASN A 35 -7.657 8.683 15.420 1.00 36.47 C ATOM 154 C ASN A 35 -6.193 8.689 15.856 1.00 36.03 C ATOM 155 O ASN A 35 -5.845 9.227 16.928 1.00 33.25 O ATOM 156 CB ASN A 35 -8.564 8.323 16.596 1.00 42.14 C ATOM 157 CG ASN A 35 -10.018 8.457 16.226 1.00 42.68 C ATOM 158 OD1 ASN A 35 -10.772 7.479 16.254 1.00 46.49 O ATOM 159 ND2 ASN A 35 -10.412 9.673 15.845 1.00 35.03 N ATOM 160 HD22 ASN A 35 -9.734 10.462 15.841 1.00 0.00 H ATOM 161 HD21 ASN A 35 -11.397 9.832 15.552 1.00 0.00 H ATOM 162 H ASN A 35 -8.356 8.322 13.382 1.00 0.00 H ATOM 163 N PHE A 36 -5.320 8.143 15.018 1.00 30.29 N ATOM 164 CA PHE A 36 -3.936 8.383 15.206 1.00 27.98 C ATOM 165 C PHE A 36 -3.706 9.934 15.107 1.00 30.07 C ATOM 166 O PHE A 36 -4.162 10.575 14.151 1.00 29.68 O ATOM 167 CB PHE A 36 -3.171 7.640 14.129 1.00 27.66 C ATOM 168 CG PHE A 36 -1.703 7.705 14.292 1.00 24.96 C ATOM 169 CD1 PHE A 36 -1.099 6.926 15.246 1.00 23.37 C ATOM 170 CD2 PHE A 36 -0.941 8.516 13.503 1.00 24.26 C ATOM 171 CE1 PHE A 36 0.268 6.951 15.397 1.00 23.87 C ATOM 172 CE2 PHE A 36 0.431 8.564 13.644 1.00 22.28 C ATOM 173 CZ PHE A 36 1.036 7.785 14.584 1.00 23.00 C ATOM 174 H PHE A 36 -5.648 7.546 14.232 1.00 0.00 H ATOM 175 N PRO A 37 -3.008 10.542 16.097 1.00 29.32 N ATOM 176 CA PRO A 37 -2.644 11.987 16.045 1.00 29.83 C ATOM 177 C PRO A 37 -2.282 12.607 14.637 1.00 28.71 C ATOM 178 O PRO A 37 -1.254 12.300 13.955 1.00 23.09 O ATOM 179 CB PRO A 37 -1.426 12.063 16.967 1.00 33.33 C ATOM 180 CG PRO A 37 -1.603 10.944 17.911 1.00 31.31 C ATOM 181 CD PRO A 37 -2.204 9.827 17.106 1.00 31.35 C ATOM 182 N SER A 38 -3.164 13.489 14.221 1.00 30.46 N ATOM 183 CA SER A 38 -3.084 14.192 12.927 1.00 33.81 C ATOM 184 C SER A 38 -1.822 15.025 12.798 1.00 34.52 C ATOM 185 O SER A 38 -1.337 15.232 11.702 1.00 40.07 O ATOM 186 CB SER A 38 -4.270 15.157 12.817 1.00 36.30 C ATOM 187 OG SER A 38 -4.451 15.818 14.067 1.00 39.80 O ATOM 188 HG SER A 38 -5.216 16.443 14.001 1.00 0.00 H ATOM 189 H SER A 38 -3.969 13.704 14.844 1.00 0.00 H ATOM 190 N GLY A 39 -1.313 15.513 13.922 1.00 33.60 N ATOM 191 CA GLY A 39 -0.036 16.249 13.960 1.00 31.84 C ATOM 192 C GLY A 39 1.171 15.352 14.153 1.00 29.73 C ATOM 193 O GLY A 39 2.279 15.878 14.412 1.00 32.92 O ATOM 194 H GLY A 39 -1.835 15.371 14.810 1.00 0.00 H ATOM 195 N SER A 40 1.005 14.025 14.060 1.00 24.87 N ATOM 196 CA SER A 40 2.177 13.145 14.159 1.00 26.83 C ATOM 197 C SER A 40 3.282 13.596 13.169 1.00 25.01 C ATOM 198 O SER A 40 3.025 13.788 12.004 1.00 23.62 O ATOM 199 CB SER A 40 1.828 11.674 13.926 1.00 25.33 C ATOM 200 OG SER A 40 2.990 10.843 14.090 1.00 24.26 O ATOM 201 HG SER A 40 3.341 10.947 15.010 1.00 0.00 H ATOM 202 H SER A 40 0.056 13.623 13.919 1.00 0.00 H ATOM 203 N PRO A 41 4.517 13.790 13.634 1.00 21.85 N ATOM 204 CA PRO A 41 5.530 14.010 12.574 1.00 21.23 C ATOM 205 C PRO A 41 5.711 12.886 11.581 1.00 21.06 C ATOM 206 O PRO A 41 6.260 13.122 10.529 1.00 21.01 O ATOM 207 CB PRO A 41 6.840 14.089 13.354 1.00 22.74 C ATOM 208 CG PRO A 41 6.475 14.324 14.767 1.00 23.54 C ATOM 209 CD PRO A 41 5.113 13.708 14.963 1.00 23.20 C ATOM 210 N VAL A 42 5.394 11.636 11.970 1.00 21.27 N ATOM 211 CA VAL A 42 5.497 10.458 11.092 1.00 20.62 C ATOM 212 C VAL A 42 4.075 10.035 10.846 1.00 21.38 C ATOM 213 O VAL A 42 3.307 9.765 11.785 1.00 24.25 O ATOM 214 CB VAL A 42 6.406 9.360 11.696 1.00 19.18 C ATOM 215 CG1 VAL A 42 6.494 8.115 10.824 1.00 18.12 C ATOM 216 CG2 VAL A 42 7.773 9.955 11.918 1.00 20.25 C ATOM 217 H VAL A 42 5.058 11.495 12.944 1.00 0.00 H ATOM 218 N SER A 43 3.691 10.028 9.574 1.00 20.68 N ATOM 219 CA SER A 43 2.295 9.658 9.198 1.00 21.87 C ATOM 220 C SER A 43 1.905 8.164 9.372 1.00 22.33 C ATOM 221 O SER A 43 2.761 7.258 9.469 1.00 20.77 O ATOM 222 CB SER A 43 2.034 10.032 7.746 1.00 19.67 C ATOM 223 OG SER A 43 2.635 9.108 6.869 1.00 19.87 O ATOM 224 HG SER A 43 3.613 9.097 7.023 1.00 0.00 H ATOM 225 H SER A 43 4.372 10.284 8.831 1.00 0.00 H ATOM 226 N ALA A 44 0.598 7.962 9.454 1.00 23.31 N ATOM 227 CA ALA A 44 0.000 6.645 9.584 1.00 23.11 C ATOM 228 C ALA A 44 0.421 5.762 8.413 1.00 24.43 C ATOM 229 O ALA A 44 0.817 4.602 8.646 1.00 23.60 O ATOM 230 CB ALA A 44 -1.515 6.760 9.665 1.00 25.65 C ATOM 231 H ALA A 44 -0.032 8.789 9.424 1.00 0.00 H ATOM 232 N SER A 45 0.371 6.284 7.168 1.00 23.12 N ATOM 233 CA SER A 45 0.773 5.455 6.009 1.00 25.21 C ATOM 234 C SER A 45 2.210 5.006 6.105 1.00 23.51 C ATOM 235 O SER A 45 2.532 3.841 5.829 1.00 23.69 O ATOM 236 CB SER A 45 0.528 6.149 4.662 1.00 30.04 C ATOM 237 OG SER A 45 1.411 7.239 4.467 1.00 32.58 O ATOM 238 HG SER A 45 1.278 7.903 5.189 1.00 0.00 H ATOM 239 H SER A 45 0.052 7.263 7.024 1.00 0.00 H ATOM 240 N THR A 46 3.062 5.918 6.558 1.00 22.35 N ATOM 241 CA THR A 46 4.488 5.630 6.691 1.00 21.92 C ATOM 242 C THR A 46 4.742 4.500 7.752 1.00 19.93 C ATOM 243 O THR A 46 5.514 3.598 7.510 1.00 18.47 O ATOM 244 CB THR A 46 5.317 6.905 7.060 1.00 19.75 C ATOM 245 OG1 THR A 46 5.213 7.903 6.028 1.00 20.47 O ATOM 246 CG2 THR A 46 6.748 6.604 7.202 1.00 19.76 C ATOM 247 HG1 THR A 46 5.745 8.698 6.284 1.00 0.00 H ATOM 248 H THR A 46 2.706 6.858 6.824 1.00 0.00 H ATOM 249 N LEU A 47 4.114 4.584 8.914 1.00 19.60 N ATOM 250 CA LEU A 47 4.266 3.562 9.944 1.00 19.81 C ATOM 251 C LEU A 47 3.658 2.253 9.506 1.00 19.92 C ATOM 252 O LEU A 47 4.288 1.226 9.659 1.00 20.37 O ATOM 253 CB LEU A 47 3.698 4.039 11.308 1.00 21.88 C ATOM 254 CG LEU A 47 4.209 5.421 11.767 1.00 19.72 C ATOM 255 CD1 LEU A 47 3.263 6.085 12.721 1.00 19.99 C ATOM 256 CD2 LEU A 47 5.618 5.367 12.369 1.00 19.94 C ATOM 257 H LEU A 47 3.496 5.400 9.098 1.00 0.00 H ATOM 258 N ALA A 48 2.483 2.262 8.860 1.00 21.15 N ATOM 259 CA ALA A 48 1.912 0.992 8.355 1.00 20.98 C ATOM 260 C ALA A 48 2.826 0.337 7.323 1.00 20.55 C ATOM 261 O ALA A 48 3.005 -0.883 7.294 1.00 19.93 O ATOM 262 CB ALA A 48 0.534 1.192 7.748 1.00 20.45 C ATOM 263 H ALA A 48 1.974 3.157 8.714 1.00 0.00 H ATOM 264 N ARG A 49 3.383 1.175 6.465 1.00 25.49 N ATOM 265 CA ARG A 49 4.337 0.706 5.506 1.00 28.72 C ATOM 266 C ARG A 49 5.526 0.009 6.189 1.00 29.91 C ATOM 267 O ARG A 49 5.999 -0.991 5.660 1.00 29.84 O ATOM 268 CB ARG A 49 4.789 1.832 4.596 1.00 32.66 C ATOM 269 CG ARG A 49 5.616 1.338 3.433 1.00 38.70 C ATOM 270 CD ARG A 49 5.809 2.382 2.351 1.00 42.08 C ATOM 271 NE ARG A 49 4.575 3.111 2.051 1.00 45.22 N ATOM 272 CZ ARG A 49 4.284 4.357 2.428 1.00 45.27 C ATOM 273 NH1 ARG A 49 5.127 5.092 3.158 1.00 46.21 N ATOM 274 NH2 ARG A 49 3.120 4.889 2.052 1.00 44.19 N ATOM 275 HE ARG A 49 3.857 2.609 1.490 1.00 0.00 H ATOM 276 HH12 ARG A 49 4.867 6.060 3.434 1.00 0.00 H ATOM 277 HH11 ARG A 49 6.043 4.696 3.450 1.00 0.00 H ATOM 278 HH22 ARG A 49 2.876 5.859 2.336 1.00 0.00 H ATOM 279 HH21 ARG A 49 2.457 4.334 1.475 1.00 0.00 H ATOM 280 H ARG A 49 3.126 2.183 6.487 1.00 0.00 H ATOM 281 N ALA A 50 5.975 0.535 7.346 1.00 24.06 N ATOM 282 CA ALA A 50 7.080 -0.012 8.091 1.00 24.14 C ATOM 283 C ALA A 50 6.676 -1.210 9.020 1.00 20.62 C ATOM 284 O ALA A 50 7.446 -1.560 9.884 1.00 19.12 O ATOM 285 CB ALA A 50 7.744 1.110 8.907 1.00 24.71 C ATOM 286 H ALA A 50 5.499 1.380 7.721 1.00 0.00 H ATOM 287 N GLY A 51 5.473 -1.755 8.846 1.00 18.35 N ATOM 288 CA GLY A 51 4.942 -2.963 9.519 1.00 17.95 C ATOM 289 C GLY A 51 4.151 -2.714 10.823 1.00 17.21 C ATOM 290 O GLY A 51 3.777 -3.630 11.538 1.00 18.21 O ATOM 291 H GLY A 51 4.841 -1.284 8.167 1.00 0.00 H ATOM 292 N PHE A 52 3.954 -1.452 11.153 1.00 18.54 N ATOM 293 CA PHE A 52 3.334 -1.084 12.376 1.00 18.54 C ATOM 294 C PHE A 52 1.808 -1.067 12.328 1.00 19.47 C ATOM 295 O PHE A 52 1.202 -0.758 11.287 1.00 22.66 O ATOM 296 CB PHE A 52 3.844 0.269 12.816 1.00 18.73 C ATOM 297 CG PHE A 52 5.280 0.270 13.305 1.00 18.82 C ATOM 298 CD1 PHE A 52 5.631 -0.362 14.464 1.00 19.51 C ATOM 299 CD2 PHE A 52 6.241 0.989 12.653 1.00 17.05 C ATOM 300 CE1 PHE A 52 6.967 -0.309 14.937 1.00 19.70 C ATOM 301 CE2 PHE A 52 7.530 1.057 13.137 1.00 18.32 C ATOM 302 CZ PHE A 52 7.896 0.405 14.246 1.00 17.22 C ATOM 303 H PHE A 52 4.262 -0.705 10.498 1.00 0.00 H ATOM 304 N LEU A 53 1.212 -1.424 13.460 1.00 21.03 N ATOM 305 CA LEU A 53 -0.208 -1.226 13.755 1.00 23.60 C ATOM 306 C LEU A 53 -0.315 -0.170 14.810 1.00 25.71 C ATOM 307 O LEU A 53 0.550 -0.123 15.674 1.00 28.05 O ATOM 308 CB LEU A 53 -0.753 -2.506 14.386 1.00 25.15 C ATOM 309 CG LEU A 53 -0.475 -3.823 13.682 1.00 24.99 C ATOM 310 CD1 LEU A 53 -0.979 -4.911 14.578 1.00 26.16 C ATOM 311 CD2 LEU A 53 -1.201 -3.840 12.315 1.00 23.35 C ATOM 312 H LEU A 53 1.797 -1.878 14.190 1.00 0.00 H ATOM 313 N TYR A 54 -1.391 0.616 14.802 1.00 28.19 N ATOM 314 CA TYR A 54 -1.619 1.601 15.841 1.00 27.27 C ATOM 315 C TYR A 54 -2.231 0.895 17.038 1.00 29.16 C ATOM 316 O TYR A 54 -3.085 0.025 16.872 1.00 26.89 O ATOM 317 CB TYR A 54 -2.528 2.691 15.340 1.00 27.67 C ATOM 318 CG TYR A 54 -2.788 3.806 16.356 1.00 26.35 C ATOM 319 CD1 TYR A 54 -1.762 4.338 17.170 1.00 25.22 C ATOM 320 CD2 TYR A 54 -4.049 4.337 16.483 1.00 28.10 C ATOM 321 CE1 TYR A 54 -2.010 5.357 18.073 1.00 23.54 C ATOM 322 CE2 TYR A 54 -4.317 5.349 17.376 1.00 27.50 C ATOM 323 CZ TYR A 54 -3.304 5.861 18.160 1.00 27.62 C ATOM 324 OH TYR A 54 -3.658 6.873 19.024 1.00 28.53 O ATOM 325 HH TYR A 54 -2.861 7.164 19.534 1.00 0.00 H ATOM 326 H TYR A 54 -2.084 0.521 14.032 1.00 0.00 H ATOM 327 N THR A 55 -1.763 1.239 18.233 1.00 30.56 N ATOM 328 CA THR A 55 -2.168 0.538 19.453 1.00 31.39 C ATOM 329 C THR A 55 -3.447 1.147 20.003 1.00 32.87 C ATOM 330 O THR A 55 -4.050 0.597 20.927 1.00 30.64 O ATOM 331 CB THR A 55 -1.068 0.569 20.566 1.00 31.27 C ATOM 332 OG1 THR A 55 -0.692 1.922 20.848 1.00 34.10 O ATOM 333 CG2 THR A 55 0.194 -0.249 20.171 1.00 32.72 C ATOM 334 HG1 THR A 55 -0.335 2.342 20.026 1.00 0.00 H ATOM 335 H THR A 55 -1.090 2.029 18.304 1.00 0.00 H ATOM 336 N GLY A 56 -3.815 2.316 19.474 1.00 36.07 N ATOM 337 CA GLY A 56 -4.899 3.091 19.971 1.00 37.22 C ATOM 338 C GLY A 56 -4.496 3.992 21.131 1.00 38.77 C ATOM 339 O GLY A 56 -5.302 4.797 21.533 1.00 38.82 O ATOM 340 H GLY A 56 -3.282 2.678 18.657 1.00 0.00 H ATOM 341 N GLU A 57 -3.284 3.855 21.681 1.00 38.52 N ATOM 342 CA GLU A 57 -2.799 4.802 22.700 1.00 39.28 C ATOM 343 C GLU A 57 -1.766 5.827 22.158 1.00 35.55 C ATOM 344 O GLU A 57 -0.723 5.439 21.608 1.00 27.90 O ATOM 345 CB GLU A 57 -2.251 4.061 23.917 1.00 44.85 C ATOM 346 CG GLU A 57 -0.835 3.509 23.789 1.00 51.77 C ATOM 347 CD GLU A 57 -0.607 2.229 24.591 1.00 55.72 C ATOM 348 OE1 GLU A 57 -0.833 2.307 25.830 1.00 58.19 O ATOM 349 OE2 GLU A 57 -0.222 1.163 23.978 1.00 46.30 O ATOM 350 H GLU A 57 -2.674 3.067 21.384 1.00 0.00 H ATOM 351 N GLY A 58 -2.094 7.126 22.285 1.00 29.34 N ATOM 352 CA GLY A 58 -1.153 8.213 22.000 1.00 26.21 C ATOM 353 C GLY A 58 -0.638 8.076 20.580 1.00 26.69 C ATOM 354 O GLY A 58 -1.459 8.058 19.666 1.00 21.82 O ATOM 355 H GLY A 58 -3.055 7.369 22.599 1.00 0.00 H ATOM 356 N ASP A 59 0.703 7.996 20.421 1.00 22.78 N ATOM 357 CA ASP A 59 1.327 7.701 19.111 1.00 24.19 C ATOM 358 C ASP A 59 2.058 6.374 19.140 1.00 24.99 C ATOM 359 O ASP A 59 2.966 6.147 18.330 1.00 24.39 O ATOM 360 CB ASP A 59 2.208 8.826 18.557 1.00 22.51 C ATOM 361 CG ASP A 59 3.486 9.118 19.365 1.00 22.83 C ATOM 362 OD1 ASP A 59 3.598 8.780 20.543 1.00 22.40 O ATOM 363 OD2 ASP A 59 4.377 9.815 18.798 1.00 22.64 O ATOM 364 H ASP A 59 1.317 8.147 21.247 1.00 0.00 H ATOM 365 N THR A 60 1.661 5.516 20.090 1.00 22.54 N ATOM 366 CA THR A 60 2.191 4.162 20.192 1.00 22.15 C ATOM 367 C THR A 60 1.632 3.178 19.139 1.00 21.80 C ATOM 368 O THR A 60 0.380 2.954 18.987 1.00 19.95 O ATOM 369 CB THR A 60 1.999 3.602 21.606 1.00 23.44 C ATOM 370 OG1 THR A 60 2.525 4.515 22.577 1.00 19.24 O ATOM 371 CG2 THR A 60 2.657 2.276 21.801 1.00 24.54 C ATOM 372 HG1 THR A 60 2.051 5.381 22.504 1.00 0.00 H ATOM 373 H THR A 60 0.948 5.828 20.780 1.00 0.00 H ATOM 374 N VAL A 61 2.601 2.574 18.456 1.00 20.67 N ATOM 375 CA VAL A 61 2.391 1.659 17.371 1.00 19.00 C ATOM 376 C VAL A 61 3.173 0.437 17.708 1.00 18.28 C ATOM 377 O VAL A 61 4.135 0.530 18.449 1.00 18.93 O ATOM 378 CB VAL A 61 2.878 2.184 16.002 1.00 16.16 C ATOM 379 CG1 VAL A 61 2.144 3.445 15.576 1.00 17.24 C ATOM 380 CG2 VAL A 61 4.352 2.429 15.964 1.00 15.10 C ATOM 381 H VAL A 61 3.583 2.780 18.729 1.00 0.00 H ATOM 382 N ARG A 62 2.685 -0.710 17.257 1.00 18.52 N ATOM 383 CA ARG A 62 3.344 -2.011 17.537 1.00 21.10 C ATOM 384 C ARG A 62 3.545 -2.751 16.213 1.00 21.98 C ATOM 385 O ARG A 62 2.720 -2.560 15.297 1.00 21.32 O ATOM 386 CB ARG A 62 2.497 -2.840 18.508 1.00 22.60 C ATOM 387 CG ARG A 62 3.247 -3.994 19.158 1.00 24.02 C ATOM 388 CD ARG A 62 2.420 -4.695 20.219 1.00 24.76 C ATOM 389 NE ARG A 62 2.287 -3.902 21.432 1.00 23.50 N ATOM 390 CZ ARG A 62 3.185 -3.866 22.410 1.00 21.30 C ATOM 391 NH1 ARG A 62 4.338 -4.500 22.273 1.00 18.53 N ATOM 392 NH2 ARG A 62 2.929 -3.197 23.520 1.00 24.49 N ATOM 393 HE ARG A 62 1.430 -3.324 21.541 1.00 0.00 H ATOM 394 HH12 ARG A 62 5.041 -4.472 23.039 1.00 0.00 H ATOM 395 HH11 ARG A 62 4.541 -5.027 21.400 1.00 0.00 H ATOM 396 HH22 ARG A 62 3.633 -3.170 24.285 1.00 0.00 H ATOM 397 HH21 ARG A 62 2.023 -2.698 23.629 1.00 0.00 H ATOM 398 H ARG A 62 1.814 -0.698 16.689 1.00 0.00 H ATOM 399 N CYS A 63 4.591 -3.555 16.121 1.00 21.57 N ATOM 400 CA CYS A 63 4.878 -4.296 14.899 1.00 21.64 C ATOM 401 C CYS A 63 4.033 -5.539 14.916 1.00 22.13 C ATOM 402 O CYS A 63 3.900 -6.192 15.969 1.00 21.04 O ATOM 403 CB CYS A 63 6.348 -4.712 14.771 1.00 23.44 C ATOM 404 SG CYS A 63 6.527 -5.667 13.230 1.00 24.86 S ATOM 405 H CYS A 63 5.224 -3.661 16.940 1.00 0.00 H ATOM 406 N PHE A 64 3.427 -5.833 13.772 1.00 19.27 N ATOM 407 CA PHE A 64 2.527 -6.950 13.730 1.00 23.64 C ATOM 408 C PHE A 64 3.350 -8.249 13.918 1.00 23.44 C ATOM 409 O PHE A 64 2.853 -9.213 14.417 1.00 23.56 O ATOM 410 CB PHE A 64 1.672 -6.940 12.448 1.00 22.83 C ATOM 411 CG PHE A 64 2.362 -7.511 11.260 1.00 21.31 C ATOM 412 CD1 PHE A 64 3.146 -6.712 10.445 1.00 23.52 C ATOM 413 CD2 PHE A 64 2.296 -8.874 10.986 1.00 22.77 C ATOM 414 CE1 PHE A 64 3.761 -7.223 9.303 1.00 24.08 C ATOM 415 CE2 PHE A 64 2.946 -9.422 9.849 1.00 21.17 C ATOM 416 CZ PHE A 64 3.680 -8.604 9.013 1.00 21.41 C ATOM 417 H PHE A 64 3.602 -5.263 12.920 1.00 0.00 H ATOM 418 N SER A 65 4.610 -8.239 13.515 1.00 22.98 N ATOM 419 CA SER A 65 5.411 -9.455 13.437 1.00 26.04 C ATOM 420 C SER A 65 6.302 -9.665 14.705 1.00 26.14 C ATOM 421 O SER A 65 6.314 -10.752 15.305 1.00 26.25 O ATOM 422 CB SER A 65 6.223 -9.401 12.133 1.00 26.68 C ATOM 423 OG SER A 65 7.128 -10.478 12.011 1.00 31.85 O ATOM 424 HG SER A 65 6.627 -11.332 12.022 1.00 0.00 H ATOM 425 H SER A 65 5.044 -7.333 13.245 1.00 0.00 H ATOM 426 N CYS A 66 7.007 -8.615 15.127 1.00 25.65 N ATOM 427 CA CYS A 66 7.941 -8.702 16.262 1.00 25.11 C ATOM 428 C CYS A 66 7.435 -8.080 17.571 1.00 26.53 C ATOM 429 O CYS A 66 8.197 -8.042 18.593 1.00 25.98 O ATOM 430 CB CYS A 66 9.268 -8.043 15.905 1.00 23.54 C ATOM 431 SG CYS A 66 9.235 -6.239 15.977 1.00 21.93 S ATOM 432 H CYS A 66 6.893 -7.704 14.638 1.00 0.00 H ATOM 433 N HIS A 67 6.193 -7.583 17.563 1.00 26.57 N ATOM 434 CA HIS A 67 5.592 -6.934 18.719 1.00 29.83 C ATOM 435 C HIS A 67 6.382 -5.813 19.391 1.00 31.81 C ATOM 436 O HIS A 67 6.072 -5.402 20.517 1.00 35.83 O ATOM 437 CB HIS A 67 5.255 -7.971 19.745 1.00 32.18 C ATOM 438 CG HIS A 67 4.726 -9.231 19.164 1.00 30.76 C ATOM 439 ND1 HIS A 67 5.503 -10.350 19.015 1.00 33.54 N ATOM 440 CD2 HIS A 67 3.503 -9.549 18.687 1.00 33.78 C ATOM 441 CE1 HIS A 67 4.772 -11.323 18.513 1.00 31.52 C ATOM 442 NE2 HIS A 67 3.559 -10.855 18.289 1.00 33.49 N ATOM 443 H HIS A 67 5.631 -7.664 16.691 1.00 0.00 H ATOM 444 N ALA A 68 7.366 -5.255 18.706 1.00 30.05 N ATOM 445 CA ALA A 68 8.001 -4.052 19.219 1.00 28.10 C ATOM 446 C ALA A 68 7.028 -2.841 19.175 1.00 25.74 C ATOM 447 O ALA A 68 6.269 -2.665 18.225 1.00 21.19 O ATOM 448 CB ALA A 68 9.274 -3.789 18.437 1.00 25.65 C ATOM 449 H ALA A 68 7.683 -5.673 17.808 1.00 0.00 H ATOM 450 N ALA A 69 7.107 -2.028 20.218 1.00 26.27 N ATOM 451 CA ALA A 69 6.236 -0.935 20.474 1.00 27.77 C ATOM 452 C ALA A 69 7.045 0.383 20.598 1.00 27.71 C ATOM 453 O ALA A 69 7.920 0.519 21.485 1.00 26.65 O ATOM 454 CB ALA A 69 5.459 -1.220 21.733 1.00 24.83 C ATOM 455 H ALA A 69 7.868 -2.204 20.905 1.00 0.00 H ATOM 456 N VAL A 70 6.725 1.326 19.719 1.00 25.97 N ATOM 457 CA VAL A 70 7.512 2.552 19.531 1.00 23.84 C ATOM 458 C VAL A 70 6.542 3.699 19.492 1.00 22.10 C ATOM 459 O VAL A 70 5.501 3.623 18.819 1.00 18.15 O ATOM 460 CB VAL A 70 8.262 2.533 18.148 1.00 25.43 C ATOM 461 CG1 VAL A 70 9.287 3.644 18.075 1.00 29.69 C ATOM 462 CG2 VAL A 70 8.918 1.192 17.861 1.00 25.94 C ATOM 463 H VAL A 70 5.875 1.190 19.135 1.00 0.00 H ATOM 464 N ASP A 71 6.908 4.788 20.162 1.00 22.15 N ATOM 465 CA ASP A 71 6.126 5.981 20.195 1.00 22.25 C ATOM 466 C ASP A 71 7.119 7.152 20.238 1.00 21.82 C ATOM 467 O ASP A 71 8.249 7.029 19.752 1.00 22.48 O ATOM 468 CB ASP A 71 5.191 5.932 21.414 1.00 25.33 C ATOM 469 CG ASP A 71 5.959 6.037 22.756 1.00 25.48 C ATOM 470 OD1 ASP A 71 6.995 5.401 22.937 1.00 27.05 O ATOM 471 OD2 ASP A 71 5.479 6.769 23.600 1.00 30.52 O ATOM 472 H ASP A 71 7.806 4.769 20.686 1.00 0.00 H ATOM 473 N ARG A 72 6.640 8.285 20.727 1.00 22.41 N ATOM 474 CA ARG A 72 7.385 9.513 20.831 1.00 20.45 C ATOM 475 C ARG A 72 8.068 9.875 19.499 1.00 21.03 C ATOM 476 O ARG A 72 9.227 10.294 19.489 1.00 24.49 O ATOM 477 CB ARG A 72 8.394 9.360 21.980 1.00 20.38 C ATOM 478 CG ARG A 72 7.753 9.317 23.377 1.00 20.69 C ATOM 479 CD ARG A 72 8.739 8.832 24.439 1.00 20.40 C ATOM 480 NE ARG A 72 8.024 8.782 25.725 1.00 22.20 N ATOM 481 CZ ARG A 72 8.544 8.540 26.917 1.00 22.84 C ATOM 482 NH1 ARG A 72 9.845 8.373 27.091 1.00 22.35 N ATOM 483 NH2 ARG A 72 7.721 8.484 27.978 1.00 22.88 N ATOM 484 HE ARG A 72 6.999 8.956 25.693 1.00 0.00 H ATOM 485 HH12 ARG A 72 10.222 8.184 28.041 1.00 0.00 H ATOM 486 HH11 ARG A 72 10.490 8.431 26.277 1.00 0.00 H ATOM 487 HH22 ARG A 72 8.106 8.295 28.925 1.00 0.00 H ATOM 488 HH21 ARG A 72 6.699 8.630 27.852 1.00 0.00 H ATOM 489 H ARG A 72 5.655 8.289 21.060 1.00 0.00 H ATOM 490 N TRP A 73 7.320 9.772 18.404 1.00 20.75 N ATOM 491 CA TRP A 73 7.845 9.984 17.070 1.00 19.17 C ATOM 492 C TRP A 73 8.200 11.452 16.920 1.00 19.46 C ATOM 493 O TRP A 73 7.481 12.328 17.399 1.00 21.49 O ATOM 494 CB TRP A 73 6.815 9.588 16.019 1.00 18.97 C ATOM 495 CG TRP A 73 6.606 8.097 16.076 1.00 18.82 C ATOM 496 CD1 TRP A 73 5.670 7.428 16.758 1.00 19.27 C ATOM 497 CD2 TRP A 73 7.410 7.128 15.436 1.00 18.20 C ATOM 498 NE1 TRP A 73 5.830 6.082 16.615 1.00 18.88 N ATOM 499 CE2 TRP A 73 6.921 5.863 15.820 1.00 17.72 C ATOM 500 CE3 TRP A 73 8.528 7.205 14.618 1.00 17.43 C ATOM 501 CZ2 TRP A 73 7.457 4.685 15.354 1.00 17.33 C ATOM 502 CZ3 TRP A 73 9.091 6.049 14.180 1.00 18.37 C ATOM 503 CH2 TRP A 73 8.522 4.792 14.495 1.00 17.89 C ATOM 504 HE1 TRP A 73 5.226 5.348 17.038 1.00 0.00 H ATOM 505 H TRP A 73 6.314 9.529 18.510 1.00 0.00 H ATOM 506 N GLN A 74 9.333 11.675 16.283 1.00 19.34 N ATOM 507 CA GLN A 74 9.885 12.994 16.033 1.00 23.15 C ATOM 508 C GLN A 74 10.271 13.160 14.548 1.00 21.79 C ATOM 509 O GLN A 74 10.491 12.175 13.801 1.00 22.22 O ATOM 510 CB GLN A 74 11.093 13.224 16.958 1.00 21.86 C ATOM 511 CG GLN A 74 10.675 13.212 18.430 1.00 22.78 C ATOM 512 CD GLN A 74 11.830 13.472 19.384 1.00 25.44 C ATOM 513 OE1 GLN A 74 12.991 13.313 19.007 1.00 23.95 O ATOM 514 NE2 GLN A 74 11.507 13.820 20.658 1.00 27.96 N ATOM 515 HE22 GLN A 74 10.510 13.942 20.927 1.00 0.00 H ATOM 516 HE21 GLN A 74 12.257 13.964 21.364 1.00 0.00 H ATOM 517 H GLN A 74 9.866 10.852 15.937 1.00 0.00 H ATOM 518 N TYR A 75 10.367 14.417 14.160 1.00 20.71 N ATOM 519 CA TYR A 75 10.869 14.851 12.852 1.00 21.62 C ATOM 520 C TYR A 75 12.264 14.368 12.693 1.00 19.91 C ATOM 521 O TYR A 75 13.085 14.525 13.582 1.00 20.54 O ATOM 522 CB TYR A 75 10.790 16.410 12.653 1.00 22.86 C ATOM 523 CG TYR A 75 9.345 16.854 12.512 1.00 24.20 C ATOM 524 CD1 TYR A 75 8.717 16.781 11.280 1.00 25.15 C ATOM 525 CD2 TYR A 75 8.566 17.186 13.636 1.00 25.11 C ATOM 526 CE1 TYR A 75 7.366 17.033 11.144 1.00 26.09 C ATOM 527 CE2 TYR A 75 7.217 17.482 13.508 1.00 25.89 C ATOM 528 CZ TYR A 75 6.619 17.394 12.238 1.00 27.17 C ATOM 529 OH TYR A 75 5.296 17.679 11.991 1.00 25.09 O ATOM 530 HH TYR A 75 5.105 17.547 11.029 1.00 0.00 H ATOM 531 H TYR A 75 10.065 15.153 14.830 1.00 0.00 H ATOM 532 N GLY A 76 12.519 13.794 11.523 1.00 22.52 N ATOM 533 CA GLY A 76 13.753 13.132 11.201 1.00 23.93 C ATOM 534 C GLY A 76 13.732 11.624 11.418 1.00 26.09 C ATOM 535 O GLY A 76 14.611 10.928 10.896 1.00 26.92 O ATOM 536 H GLY A 76 11.779 13.826 10.793 1.00 0.00 H ATOM 537 N ASP A 77 12.732 11.096 12.144 1.00 22.27 N ATOM 538 CA ASP A 77 12.671 9.662 12.395 1.00 22.55 C ATOM 539 C ASP A 77 12.345 8.959 11.102 1.00 22.14 C ATOM 540 O ASP A 77 11.360 9.340 10.388 1.00 20.37 O ATOM 541 CB ASP A 77 11.543 9.272 13.418 1.00 22.78 C ATOM 542 CG ASP A 77 11.909 9.554 14.854 1.00 22.61 C ATOM 543 OD1 ASP A 77 13.082 9.850 15.097 1.00 24.69 O ATOM 544 OD2 ASP A 77 11.011 9.452 15.780 1.00 23.40 O ATOM 545 H ASP A 77 11.994 11.718 12.531 1.00 0.00 H ATOM 546 N SER A 78 13.127 7.918 10.826 1.00 21.18 N ATOM 547 CA SER A 78 12.691 6.853 9.839 1.00 20.66 C ATOM 548 C SER A 78 11.837 5.790 10.547 1.00 19.55 C ATOM 549 O SER A 78 12.353 5.145 11.464 1.00 19.03 O ATOM 550 CB SER A 78 13.920 6.184 9.227 1.00 20.15 C ATOM 551 OG SER A 78 13.526 5.095 8.441 1.00 20.07 O ATOM 552 HG SER A 78 14.327 4.666 8.048 1.00 0.00 H ATOM 553 H SER A 78 14.052 7.834 11.295 1.00 0.00 H ATOM 554 N ALA A 79 10.581 5.548 10.115 1.00 20.70 N ATOM 555 CA ALA A 79 9.744 4.480 10.713 1.00 20.56 C ATOM 556 C ALA A 79 10.483 3.144 10.573 1.00 20.67 C ATOM 557 O ALA A 79 10.627 2.383 11.563 1.00 18.51 O ATOM 558 CB ALA A 79 8.326 4.392 10.116 1.00 19.37 C ATOM 559 H ALA A 79 10.191 6.125 9.343 1.00 0.00 H ATOM 560 N VAL A 80 10.987 2.862 9.355 1.00 19.22 N ATOM 561 CA VAL A 80 11.692 1.613 9.108 1.00 19.68 C ATOM 562 C VAL A 80 12.970 1.569 9.973 1.00 18.56 C ATOM 563 O VAL A 80 13.261 0.581 10.583 1.00 17.87 O ATOM 564 CB VAL A 80 11.988 1.411 7.582 1.00 20.19 C ATOM 565 CG1 VAL A 80 12.957 0.279 7.357 1.00 25.78 C ATOM 566 CG2 VAL A 80 10.688 1.116 6.852 1.00 22.38 C ATOM 567 H VAL A 80 10.870 3.547 8.581 1.00 0.00 H ATOM 568 N GLY A 81 13.697 2.681 10.045 1.00 19.28 N ATOM 569 CA GLY A 81 15.037 2.737 10.640 1.00 18.84 C ATOM 570 C GLY A 81 14.930 2.549 12.140 1.00 20.12 C ATOM 571 O GLY A 81 15.679 1.786 12.771 1.00 17.91 O ATOM 572 H GLY A 81 13.294 3.558 9.659 1.00 0.00 H ATOM 573 N ARG A 82 13.966 3.255 12.719 1.00 20.37 N ATOM 574 CA ARG A 82 13.670 3.092 14.133 1.00 21.25 C ATOM 575 C ARG A 82 13.201 1.707 14.495 1.00 20.67 C ATOM 576 O ARG A 82 13.567 1.188 15.545 1.00 20.60 O ATOM 577 CB ARG A 82 12.606 4.120 14.562 1.00 23.40 C ATOM 578 CG ARG A 82 13.207 5.378 15.107 1.00 28.29 C ATOM 579 CD ARG A 82 12.204 6.147 15.978 1.00 28.34 C ATOM 580 NE ARG A 82 12.173 5.910 17.429 1.00 29.06 N ATOM 581 CZ ARG A 82 11.125 6.266 18.196 1.00 26.36 C ATOM 582 NH1 ARG A 82 10.055 6.822 17.647 1.00 23.02 N ATOM 583 NH2 ARG A 82 11.124 6.063 19.491 1.00 27.54 N ATOM 584 HE ARG A 82 12.990 5.451 17.879 1.00 0.00 H ATOM 585 HH12 ARG A 82 9.248 7.096 18.243 1.00 0.00 H ATOM 586 HH11 ARG A 82 10.022 6.985 16.620 1.00 0.00 H ATOM 587 HH22 ARG A 82 10.302 6.347 20.061 1.00 0.00 H ATOM 588 HH21 ARG A 82 11.945 5.618 19.948 1.00 0.00 H ATOM 589 H ARG A 82 13.416 3.933 12.154 1.00 0.00 H ATOM 590 N HIS A 83 12.325 1.133 13.653 1.00 19.58 N ATOM 591 CA HIS A 83 11.873 -0.285 13.790 1.00 17.99 C ATOM 592 C HIS A 83 13.054 -1.317 13.743 1.00 18.06 C ATOM 593 O HIS A 83 13.061 -2.305 14.485 1.00 18.78 O ATOM 594 CB HIS A 83 10.876 -0.550 12.659 1.00 18.40 C ATOM 595 CG HIS A 83 10.108 -1.828 12.776 1.00 18.77 C ATOM 596 ND1 HIS A 83 9.097 -2.122 11.902 1.00 15.75 N ATOM 597 CD2 HIS A 83 10.215 -2.886 13.609 1.00 19.22 C ATOM 598 CE1 HIS A 83 8.589 -3.307 12.200 1.00 17.18 C ATOM 599 NE2 HIS A 83 9.249 -3.797 13.232 1.00 18.25 N ATOM 600 H HIS A 83 11.944 1.702 12.870 1.00 0.00 H ATOM 601 N ARG A 84 14.029 -1.051 12.880 1.00 16.47 N ATOM 602 CA ARG A 84 15.208 -1.945 12.729 1.00 15.00 C ATOM 603 C ARG A 84 16.139 -1.775 13.936 1.00 17.87 C ATOM 604 O ARG A 84 16.763 -2.777 14.337 1.00 17.46 O ATOM 605 CB ARG A 84 15.945 -1.641 11.421 1.00 13.53 C ATOM 606 CG ARG A 84 17.186 -2.492 11.193 1.00 13.43 C ATOM 607 CD ARG A 84 18.062 -1.951 10.079 1.00 13.07 C ATOM 608 NE ARG A 84 17.330 -1.783 8.832 1.00 12.47 N ATOM 609 CZ ARG A 84 16.964 -2.779 8.034 1.00 12.61 C ATOM 610 NH1 ARG A 84 17.325 -4.020 8.315 1.00 12.92 N ATOM 611 NH2 ARG A 84 16.238 -2.533 6.958 1.00 13.04 N ATOM 612 HE ARG A 84 17.076 -0.816 8.546 1.00 0.00 H ATOM 613 HH12 ARG A 84 17.038 -4.799 7.689 1.00 0.00 H ATOM 614 HH11 ARG A 84 17.896 -4.216 9.162 1.00 0.00 H ATOM 615 HH22 ARG A 84 15.952 -3.314 6.334 1.00 0.00 H ATOM 616 HH21 ARG A 84 15.952 -1.558 6.735 1.00 0.00 H ATOM 617 H ARG A 84 13.966 -0.194 12.294 1.00 0.00 H ATOM 618 N LYS A 85 16.234 -0.571 14.493 1.00 18.07 N ATOM 619 CA LYS A 85 17.109 -0.335 15.647 1.00 20.73 C ATOM 620 C LYS A 85 16.533 -1.095 16.847 1.00 20.35 C ATOM 621 O LYS A 85 17.229 -1.799 17.563 1.00 20.67 O ATOM 622 CB LYS A 85 17.178 1.171 15.871 1.00 22.46 C ATOM 623 CG LYS A 85 18.194 1.657 16.865 1.00 26.12 C ATOM 624 CD LYS A 85 17.905 3.054 17.394 1.00 29.94 C ATOM 625 CE LYS A 85 16.577 3.223 18.144 1.00 27.74 C ATOM 626 NZ LYS A 85 16.187 1.987 18.829 1.00 30.79 N ATOM 627 HZ1 LYS A 85 16.077 1.225 18.130 1.00 0.00 H ATOM 628 HZ2 LYS A 85 16.923 1.726 19.516 1.00 0.00 H ATOM 629 HZ3 LYS A 85 15.286 2.137 19.325 1.00 0.00 H ATOM 630 H LYS A 85 15.678 0.217 14.104 1.00 0.00 H ATOM 631 N VAL A 86 15.217 -0.992 17.034 1.00 19.69 N ATOM 632 CA VAL A 86 14.551 -1.683 18.135 1.00 19.84 C ATOM 633 C VAL A 86 14.348 -3.171 17.929 1.00 19.79 C ATOM 634 O VAL A 86 14.178 -3.900 18.930 1.00 21.87 O ATOM 635 CB VAL A 86 13.204 -1.049 18.537 1.00 19.82 C ATOM 636 CG1 VAL A 86 13.365 0.409 18.851 1.00 20.27 C ATOM 637 CG2 VAL A 86 12.107 -1.243 17.500 1.00 22.46 C ATOM 638 H VAL A 86 14.654 -0.408 16.383 1.00 0.00 H ATOM 639 N SER A 87 14.303 -3.640 16.688 1.00 19.04 N ATOM 640 CA SER A 87 14.178 -5.110 16.421 1.00 21.25 C ATOM 641 C SER A 87 14.915 -5.526 15.185 1.00 21.04 C ATOM 642 O SER A 87 14.259 -5.812 14.201 1.00 22.96 O ATOM 643 CB SER A 87 12.711 -5.515 16.210 1.00 20.65 C ATOM 644 OG SER A 87 12.004 -5.665 17.399 1.00 24.36 O ATOM 645 HG SER A 87 11.071 -5.925 17.196 1.00 0.00 H ATOM 646 H SER A 87 14.355 -2.977 15.888 1.00 0.00 H ATOM 647 N PRO A 88 16.261 -5.595 15.214 1.00 23.24 N ATOM 648 CA PRO A 88 17.000 -5.897 13.971 1.00 23.53 C ATOM 649 C PRO A 88 16.714 -7.283 13.401 1.00 22.48 C ATOM 650 O PRO A 88 17.028 -7.535 12.257 1.00 23.48 O ATOM 651 CB PRO A 88 18.478 -5.754 14.383 1.00 24.38 C ATOM 652 CG PRO A 88 18.520 -5.740 15.862 1.00 23.75 C ATOM 653 CD PRO A 88 17.140 -5.470 16.390 1.00 23.56 C ATOM 654 N ASN A 89 16.171 -8.194 14.207 1.00 22.93 N ATOM 655 CA ASN A 89 15.894 -9.510 13.729 1.00 24.93 C ATOM 656 C ASN A 89 14.407 -9.634 13.386 1.00 23.15 C ATOM 657 O ASN A 89 13.949 -10.730 13.064 1.00 23.21 O ATOM 658 CB ASN A 89 16.321 -10.583 14.741 1.00 27.57 C ATOM 659 CG ASN A 89 17.821 -10.600 14.991 1.00 27.25 C ATOM 660 OD1 ASN A 89 18.602 -10.432 14.083 1.00 34.01 O ATOM 661 ND2 ASN A 89 18.211 -10.806 16.227 1.00 26.84 N ATOM 662 HD22 ASN A 89 17.506 -10.946 16.978 1.00 0.00 H ATOM 663 HD21 ASN A 89 19.225 -10.829 16.455 1.00 0.00 H ATOM 664 H ASN A 89 15.947 -7.945 15.192 1.00 0.00 H ATOM 665 N CYS A 90 13.655 -8.539 13.399 1.00 23.88 N ATOM 666 CA CYS A 90 12.235 -8.619 12.996 1.00 24.88 C ATOM 667 C CYS A 90 12.097 -9.355 11.647 1.00 28.78 C ATOM 668 O CYS A 90 12.885 -9.095 10.681 1.00 27.15 O ATOM 669 CB CYS A 90 11.610 -7.237 12.965 1.00 25.92 C ATOM 670 SG CYS A 90 9.979 -7.091 12.233 1.00 24.22 S ATOM 671 H CYS A 90 14.064 -7.629 13.692 1.00 0.00 H ATOM 672 N ARG A 91 11.175 -10.344 11.619 1.00 28.43 N ATOM 673 CA ARG A 91 10.865 -11.080 10.385 1.00 29.93 C ATOM 674 C ARG A 91 10.346 -10.176 9.296 1.00 27.19 C ATOM 675 O ARG A 91 10.735 -10.313 8.145 1.00 29.01 O ATOM 676 CB ARG A 91 9.895 -12.226 10.651 1.00 37.00 C ATOM 677 CG ARG A 91 10.549 -13.394 11.414 1.00 44.18 C ATOM 678 CD ARG A 91 9.747 -14.689 11.377 1.00 51.13 C ATOM 679 NE ARG A 91 8.393 -14.606 11.937 1.00 57.20 N ATOM 680 CZ ARG A 91 7.619 -15.664 12.220 1.00 68.92 C ATOM 681 NH1 ARG A 91 8.049 -16.917 12.008 1.00 71.62 N ATOM 682 NH2 ARG A 91 6.395 -15.475 12.725 1.00 72.66 N ATOM 683 HE ARG A 91 8.006 -13.660 12.128 1.00 0.00 H ATOM 684 HH12 ARG A 91 7.433 -17.724 12.234 1.00 0.00 H ATOM 685 HH11 ARG A 91 8.999 -17.082 11.617 1.00 0.00 H ATOM 686 HH22 ARG A 91 5.792 -16.293 12.946 1.00 0.00 H ATOM 687 HH21 ARG A 91 6.047 -14.510 12.897 1.00 0.00 H ATOM 688 H ARG A 91 10.671 -10.591 12.495 1.00 0.00 H ATOM 689 N PHE A 92 9.500 -9.214 9.658 1.00 26.85 N ATOM 690 CA PHE A 92 8.950 -8.305 8.684 1.00 23.84 C ATOM 691 C PHE A 92 10.078 -7.483 8.030 1.00 23.28 C ATOM 692 O PHE A 92 10.192 -7.411 6.788 1.00 21.16 O ATOM 693 CB PHE A 92 7.810 -7.470 9.271 1.00 21.76 C ATOM 694 CG PHE A 92 7.335 -6.434 8.329 1.00 22.85 C ATOM 695 CD1 PHE A 92 6.548 -6.776 7.261 1.00 25.72 C ATOM 696 CD2 PHE A 92 7.780 -5.130 8.436 1.00 20.97 C ATOM 697 CE1 PHE A 92 6.165 -5.821 6.339 1.00 25.52 C ATOM 698 CE2 PHE A 92 7.386 -4.184 7.521 1.00 23.60 C ATOM 699 CZ PHE A 92 6.571 -4.514 6.484 1.00 23.28 C ATOM 700 H PHE A 92 9.232 -9.117 10.658 1.00 0.00 H ATOM 701 N ILE A 93 10.936 -6.900 8.869 1.00 22.85 N ATOM 702 CA ILE A 93 12.039 -6.057 8.423 1.00 23.19 C ATOM 703 C ILE A 93 13.049 -6.801 7.530 1.00 21.95 C ATOM 704 O ILE A 93 13.636 -6.237 6.574 1.00 19.26 O ATOM 705 CB ILE A 93 12.801 -5.480 9.677 1.00 23.99 C ATOM 706 CG1 ILE A 93 11.966 -4.385 10.378 1.00 27.39 C ATOM 707 CG2 ILE A 93 14.235 -5.061 9.348 1.00 25.11 C ATOM 708 CD1 ILE A 93 11.610 -3.181 9.535 1.00 27.99 C ATOM 709 H ILE A 93 10.812 -7.054 9.890 1.00 0.00 H ATOM 710 N ASN A 94 13.304 -8.047 7.913 1.00 22.43 N ATOM 711 CA ASN A 94 14.193 -8.914 7.185 1.00 23.60 C ATOM 712 C ASN A 94 13.605 -9.671 5.996 1.00 24.52 C ATOM 713 O ASN A 94 14.282 -10.541 5.476 1.00 24.18 O ATOM 714 CB ASN A 94 14.834 -9.864 8.176 1.00 26.38 C ATOM 715 CG ASN A 94 15.811 -9.131 9.067 1.00 28.29 C ATOM 716 OD1 ASN A 94 16.818 -8.692 8.562 1.00 29.76 O ATOM 717 ND2 ASN A 94 15.479 -8.912 10.345 1.00 27.58 N ATOM 718 HD22 ASN A 94 14.600 -9.313 10.730 1.00 0.00 H ATOM 719 HD21 ASN A 94 16.100 -8.341 10.953 1.00 0.00 H ATOM 720 H ASN A 94 12.844 -8.410 8.772 1.00 0.00 H ATOM 721 N GLY A 95 12.390 -9.339 5.561 1.00 23.11 N ATOM 722 CA GLY A 95 11.801 -9.910 4.328 1.00 28.02 C ATOM 723 C GLY A 95 10.973 -11.181 4.396 1.00 29.30 C ATOM 724 O GLY A 95 10.551 -11.683 3.353 1.00 29.79 O ATOM 725 H GLY A 95 11.834 -8.652 6.109 1.00 0.00 H ATOM 726 N PHE A 96 10.728 -11.693 5.602 1.00 33.05 N ATOM 727 CA PHE A 96 10.129 -13.016 5.829 1.00 37.75 C ATOM 728 C PHE A 96 8.808 -13.221 5.110 1.00 38.22 C ATOM 729 O PHE A 96 8.545 -14.301 4.592 1.00 39.81 O ATOM 730 CB PHE A 96 9.893 -13.199 7.330 1.00 42.95 C ATOM 731 CG PHE A 96 9.284 -14.518 7.713 1.00 47.02 C ATOM 732 CD1 PHE A 96 7.885 -14.653 7.800 1.00 47.57 C ATOM 733 CD2 PHE A 96 10.084 -15.617 8.014 1.00 47.39 C ATOM 734 CE1 PHE A 96 7.300 -15.856 8.170 1.00 46.58 C ATOM 735 CE2 PHE A 96 9.498 -16.829 8.373 1.00 49.85 C ATOM 736 CZ PHE A 96 8.107 -16.947 8.452 1.00 45.80 C ATOM 737 H PHE A 96 10.976 -11.121 6.434 1.00 0.00 H ATOM 738 N TYR A 97 8.000 -12.163 5.085 1.00 36.90 N ATOM 739 CA TYR A 97 6.702 -12.178 4.420 1.00 34.42 C ATOM 740 C TYR A 97 6.786 -11.909 2.947 1.00 34.30 C ATOM 741 O TYR A 97 5.757 -11.754 2.331 1.00 32.83 O ATOM 742 CB TYR A 97 5.755 -11.186 5.121 1.00 32.70 C ATOM 743 CG TYR A 97 5.708 -11.495 6.610 1.00 31.05 C ATOM 744 CD1 TYR A 97 5.059 -12.646 7.104 1.00 32.11 C ATOM 745 CD2 TYR A 97 6.418 -10.736 7.510 1.00 29.08 C ATOM 746 CE1 TYR A 97 5.041 -12.932 8.486 1.00 32.27 C ATOM 747 CE2 TYR A 97 6.416 -11.023 8.867 1.00 29.35 C ATOM 748 CZ TYR A 97 5.728 -12.098 9.360 1.00 28.36 C ATOM 749 OH TYR A 97 5.760 -12.348 10.719 1.00 36.45 O ATOM 750 HH TYR A 97 5.388 -11.570 11.205 1.00 0.00 H ATOM 751 H TYR A 97 8.307 -11.290 5.559 1.00 0.00 H ATOM 752 N LEU A 98 8.004 -11.818 2.391 1.00 35.35 N ATOM 753 CA LEU A 98 8.245 -11.752 0.956 1.00 41.94 C ATOM 754 C LEU A 98 8.004 -10.318 0.451 1.00 49.42 C ATOM 755 O LEU A 98 8.951 -9.625 0.011 1.00 45.90 O ATOM 756 CB LEU A 98 7.457 -12.850 0.176 1.00 42.77 C ATOM 757 CG LEU A 98 7.063 -12.606 -1.285 1.00 47.22 C ATOM 758 CD1 LEU A 98 6.815 -13.922 -2.040 1.00 47.24 C ATOM 759 CD2 LEU A 98 5.884 -11.647 -1.398 1.00 48.31 C ATOM 760 H LEU A 98 8.828 -11.793 3.025 1.00 0.00 H TER 761 LEU A 98 ATOM 762 N GLU D 21 21.404 -16.423 31.642 1.00 53.74 N ATOM 763 CA GLU D 21 22.790 -16.833 32.014 1.00 54.16 C ATOM 764 C GLU D 21 23.398 -15.767 32.951 1.00 49.41 C ATOM 765 O GLU D 21 22.962 -15.647 34.096 1.00 45.98 O ATOM 766 CB GLU D 21 23.644 -17.159 30.751 1.00 64.55 C ATOM 767 CG GLU D 21 23.130 -16.609 29.401 1.00 66.63 C ATOM 768 CD GLU D 21 24.240 -16.257 28.422 1.00 69.86 C ATOM 769 OE1 GLU D 21 25.068 -15.368 28.740 1.00 70.95 O ATOM 770 OE2 GLU D 21 24.275 -16.863 27.331 1.00 71.55 O ATOM 771 HN3 GLU D 21 21.434 -15.505 31.155 1.00 0.00 H ATOM 772 HN2 GLU D 21 20.825 -16.341 32.502 1.00 0.00 H ATOM 773 HN1 GLU D 21 20.990 -17.138 31.011 1.00 0.00 H ATOM 774 N GLU D 22 24.339 -14.963 32.463 1.00 54.52 N ATOM 775 CA GLU D 22 24.981 -13.896 33.257 1.00 50.81 C ATOM 776 C GLU D 22 23.996 -12.771 33.575 1.00 43.67 C ATOM 777 O GLU D 22 23.980 -12.285 34.710 1.00 39.71 O ATOM 778 CB GLU D 22 26.235 -13.330 32.550 1.00 56.08 C ATOM 779 CG GLU D 22 25.992 -12.773 31.137 1.00 66.10 C ATOM 780 CD GLU D 22 27.232 -12.204 30.452 1.00 68.97 C ATOM 781 OE1 GLU D 22 27.919 -11.330 31.050 1.00 72.52 O ATOM 782 OE2 GLU D 22 27.492 -12.613 29.290 1.00 65.97 O ATOM 783 H GLU D 22 24.637 -15.092 31.475 1.00 0.00 H ATOM 784 N PHE D 23 23.143 -12.397 32.600 1.00 38.43 N ATOM 785 CA PHE D 23 22.325 -11.153 32.704 1.00 32.59 C ATOM 786 C PHE D 23 21.073 -11.274 33.565 1.00 29.54 C ATOM 787 O PHE D 23 20.250 -10.346 33.655 1.00 28.85 O ATOM 788 CB PHE D 23 22.013 -10.597 31.318 1.00 32.15 C ATOM 789 CG PHE D 23 23.238 -10.098 30.556 1.00 34.41 C ATOM 790 CD1 PHE D 23 24.148 -9.225 31.134 1.00 33.65 C ATOM 791 CD2 PHE D 23 23.455 -10.472 29.227 1.00 36.11 C ATOM 792 CE1 PHE D 23 25.263 -8.759 30.432 1.00 35.24 C ATOM 793 CE2 PHE D 23 24.566 -10.005 28.522 1.00 37.84 C ATOM 794 CZ PHE D 23 25.471 -9.153 29.128 1.00 34.96 C ATOM 795 H PHE D 23 23.053 -12.992 31.752 1.00 0.00 H ATOM 796 N VAL D 24 20.939 -12.384 34.267 1.00 27.40 N ATOM 797 CA VAL D 24 19.888 -12.505 35.278 1.00 30.31 C ATOM 798 C VAL D 24 20.351 -11.683 36.473 1.00 27.11 C ATOM 799 O VAL D 24 19.535 -11.114 37.175 1.00 26.89 O ATOM 800 CB VAL D 24 19.563 -13.979 35.611 1.00 32.39 C ATOM 801 CG1 VAL D 24 18.342 -14.083 36.532 1.00 31.14 C ATOM 802 CG2 VAL D 24 19.304 -14.743 34.323 1.00 33.56 C ATOM 803 H VAL D 24 21.587 -13.180 34.100 1.00 0.00 H ATOM 804 N GLU D 25 21.672 -11.569 36.647 1.00 27.14 N ATOM 805 CA GLU D 25 22.276 -10.741 37.683 1.00 25.31 C ATOM 806 C GLU D 25 22.246 -9.277 37.267 1.00 25.77 C ATOM 807 O GLU D 25 22.822 -8.880 36.242 1.00 21.58 O ATOM 808 CB GLU D 25 23.727 -11.133 37.942 1.00 26.43 C ATOM 809 CG GLU D 25 24.462 -10.228 38.936 1.00 25.60 C ATOM 810 CD GLU D 25 23.717 -9.949 40.247 1.00 25.28 C ATOM 811 OE1 GLU D 25 23.554 -8.774 40.598 1.00 23.64 O ATOM 812 OE2 GLU D 25 23.283 -10.874 40.976 1.00 25.01 O ATOM 813 H GLU D 25 22.301 -12.099 36.010 1.00 0.00 H ATOM 814 N GLU D 26 21.560 -8.486 38.077 1.00 23.35 N ATOM 815 CA GLU D 26 21.465 -7.061 37.897 1.00 26.44 C ATOM 816 C GLU D 26 22.809 -6.383 37.628 1.00 25.44 C ATOM 817 O GLU D 26 22.941 -5.602 36.685 1.00 27.42 O ATOM 818 CB GLU D 26 20.751 -6.431 39.128 1.00 26.66 C ATOM 819 CG GLU D 26 20.587 -4.949 39.014 1.00 28.97 C ATOM 820 CD GLU D 26 19.559 -4.317 39.954 1.00 32.41 C ATOM 821 OE1 GLU D 26 18.652 -4.964 40.535 1.00 35.94 O ATOM 822 OE2 GLU D 26 19.651 -3.104 40.047 1.00 34.37 O ATOM 823 H GLU D 26 21.065 -8.916 38.884 1.00 0.00 H ATOM 824 N PHE D 27 23.814 -6.676 38.426 1.00 24.55 N ATOM 825 CA PHE D 27 25.134 -6.046 38.278 1.00 27.54 C ATOM 826 C PHE D 27 25.848 -6.221 36.893 1.00 27.85 C ATOM 827 O PHE D 27 26.550 -5.300 36.413 1.00 28.53 O ATOM 828 CB PHE D 27 26.042 -6.534 39.423 1.00 27.13 C ATOM 829 CG PHE D 27 27.329 -5.780 39.530 1.00 27.17 C ATOM 830 CD1 PHE D 27 27.336 -4.427 39.825 1.00 29.76 C ATOM 831 CD2 PHE D 27 28.523 -6.414 39.289 1.00 27.61 C ATOM 832 CE1 PHE D 27 28.533 -3.720 39.905 1.00 32.29 C ATOM 833 CE2 PHE D 27 29.721 -5.733 39.377 1.00 30.63 C ATOM 834 CZ PHE D 27 29.717 -4.365 39.687 1.00 31.66 C ATOM 835 H PHE D 27 23.670 -7.374 39.184 1.00 0.00 H ATOM 836 N ASN D 28 25.643 -7.378 36.277 1.00 30.05 N ATOM 837 CA ASN D 28 26.182 -7.733 34.938 1.00 28.52 C ATOM 838 C ASN D 28 25.521 -6.918 33.834 1.00 30.38 C ATOM 839 O ASN D 28 26.183 -6.493 32.885 1.00 31.65 O ATOM 840 CB ASN D 28 25.977 -9.243 34.678 1.00 26.94 C ATOM 841 CG ASN D 28 26.887 -10.096 35.544 1.00 27.18 C ATOM 842 OD1 ASN D 28 27.853 -9.573 36.068 1.00 23.79 O ATOM 843 ND2 ASN D 28 26.559 -11.412 35.728 1.00 22.73 N ATOM 844 HD22 ASN D 28 25.722 -11.810 35.256 1.00 0.00 H ATOM 845 HD21 ASN D 28 27.147 -12.014 36.339 1.00 0.00 H ATOM 846 H ASN D 28 25.063 -8.089 36.767 1.00 0.00 H ATOM 847 N ARG D 29 24.212 -6.706 33.975 1.00 30.27 N ATOM 848 CA ARG D 29 23.454 -5.783 33.144 1.00 28.73 C ATOM 849 C ARG D 29 23.941 -4.365 33.311 1.00 27.53 C ATOM 850 O ARG D 29 24.235 -3.646 32.311 1.00 26.55 O ATOM 851 CB ARG D 29 21.955 -5.855 33.482 1.00 30.35 C ATOM 852 CG ARG D 29 21.305 -7.216 33.252 1.00 28.47 C ATOM 853 CD ARG D 29 19.762 -7.101 33.179 1.00 27.85 C ATOM 854 NE ARG D 29 19.107 -6.624 34.389 1.00 25.53 N ATOM 855 CZ ARG D 29 18.739 -7.393 35.425 1.00 29.95 C ATOM 856 NH1 ARG D 29 18.971 -8.713 35.447 1.00 28.70 N ATOM 857 NH2 ARG D 29 18.130 -6.835 36.465 1.00 31.01 N ATOM 858 HE ARG D 29 18.909 -5.605 34.455 1.00 0.00 H ATOM 859 HH12 ARG D 29 18.672 -9.280 36.266 1.00 0.00 H ATOM 860 HH11 ARG D 29 19.450 -9.170 34.645 1.00 0.00 H ATOM 861 HH22 ARG D 29 17.840 -7.421 37.274 1.00 0.00 H ATOM 862 HH21 ARG D 29 17.943 -5.812 36.471 1.00 0.00 H ATOM 863 H ARG D 29 23.706 -7.228 34.719 1.00 0.00 H ATOM 864 N LEU D 30 24.128 -3.980 34.574 1.00 27.40 N ATOM 865 CA LEU D 30 24.633 -2.645 34.899 1.00 24.99 C ATOM 866 C LEU D 30 25.982 -2.413 34.218 1.00 27.31 C ATOM 867 O LEU D 30 26.214 -1.357 33.689 1.00 23.91 O ATOM 868 CB LEU D 30 24.764 -2.405 36.403 1.00 24.87 C ATOM 869 CG LEU D 30 24.853 -0.969 36.931 1.00 23.15 C ATOM 870 CD1 LEU D 30 23.933 0.045 36.251 1.00 24.01 C ATOM 871 CD2 LEU D 30 24.579 -0.960 38.453 1.00 25.02 C ATOM 872 H LEU D 30 23.910 -4.643 35.345 1.00 0.00 H ATOM 873 N LYS D 31 26.844 -3.414 34.236 1.00 30.42 N ATOM 874 CA LYS D 31 28.175 -3.293 33.637 1.00 36.79 C ATOM 875 C LYS D 31 28.155 -2.996 32.141 1.00 33.79 C ATOM 876 O LYS D 31 29.035 -2.301 31.688 1.00 34.59 O ATOM 877 CB LYS D 31 29.085 -4.503 33.986 1.00 37.73 C ATOM 878 CG LYS D 31 29.624 -4.384 35.414 1.00 43.90 C ATOM 879 CD LYS D 31 30.939 -5.105 35.666 1.00 47.02 C ATOM 880 CE LYS D 31 30.690 -6.567 36.014 1.00 54.19 C ATOM 881 NZ LYS D 31 31.926 -7.312 36.425 1.00 59.67 N ATOM 882 HZ1 LYS D 31 32.616 -7.293 35.647 1.00 0.00 H ATOM 883 HZ2 LYS D 31 32.338 -6.860 37.266 1.00 0.00 H ATOM 884 HZ3 LYS D 31 31.678 -8.298 36.646 1.00 0.00 H ATOM 885 H LYS D 31 26.571 -4.310 34.687 1.00 0.00 H ATOM 886 N THR D 32 27.118 -3.435 31.419 1.00 34.06 N ATOM 887 CA THR D 32 26.946 -3.063 29.973 1.00 31.56 C ATOM 888 C THR D 32 26.783 -1.563 29.701 1.00 31.22 C ATOM 889 O THR D 32 26.862 -1.138 28.531 1.00 30.71 O ATOM 890 CB THR D 32 25.695 -3.692 29.322 1.00 32.36 C ATOM 891 OG1 THR D 32 24.481 -3.108 29.896 1.00 29.22 O ATOM 892 CG2 THR D 32 25.748 -5.189 29.402 1.00 28.07 C ATOM 893 HG1 THR D 32 24.462 -3.281 30.871 1.00 0.00 H ATOM 894 H THR D 32 26.412 -4.050 31.871 1.00 0.00 H ATOM 895 N PHE D 33 26.522 -0.794 30.765 1.00 30.40 N ATOM 896 CA PHE D 33 26.226 0.622 30.705 1.00 31.42 C ATOM 897 C PHE D 33 27.498 1.523 30.781 1.00 34.53 C ATOM 898 O PHE D 33 27.422 2.680 31.223 1.00 35.64 O ATOM 899 CB PHE D 33 25.232 1.028 31.826 1.00 27.60 C ATOM 900 CG PHE D 33 23.783 0.662 31.548 1.00 26.68 C ATOM 901 CD1 PHE D 33 23.314 -0.586 31.795 1.00 24.36 C ATOM 902 CD2 PHE D 33 22.872 1.628 31.089 1.00 27.02 C ATOM 903 CE1 PHE D 33 21.979 -0.910 31.539 1.00 24.25 C ATOM 904 CE2 PHE D 33 21.539 1.304 30.830 1.00 23.45 C ATOM 905 CZ PHE D 33 21.099 0.044 31.054 1.00 22.91 C ATOM 906 H PHE D 33 26.533 -1.246 31.702 1.00 0.00 H ATOM 907 N ALA D 34 28.654 1.002 30.376 1.00 41.53 N ATOM 908 CA ALA D 34 29.779 1.871 30.019 1.00 45.46 C ATOM 909 C ALA D 34 29.322 2.696 28.815 1.00 48.98 C ATOM 910 O ALA D 34 28.614 2.171 27.945 1.00 50.18 O ATOM 911 CB ALA D 34 31.022 1.074 29.673 1.00 46.69 C ATOM 912 H ALA D 34 28.760 -0.031 30.312 1.00 0.00 H ATOM 913 N ASN D 35 29.701 3.976 28.814 1.00 49.31 N ATOM 914 CA ASN D 35 29.376 4.960 27.751 1.00 50.95 C ATOM 915 C ASN D 35 27.920 5.362 27.678 1.00 49.37 C ATOM 916 O ASN D 35 27.529 5.980 26.684 1.00 46.89 O ATOM 917 CB ASN D 35 29.760 4.490 26.344 1.00 51.62 C ATOM 918 CG ASN D 35 31.161 3.971 26.258 1.00 54.96 C ATOM 919 OD1 ASN D 35 31.414 2.984 25.538 1.00 58.12 O ATOM 920 ND2 ASN D 35 32.100 4.633 26.965 1.00 51.45 N ATOM 921 HD22 ASN D 35 31.831 5.450 27.549 1.00 0.00 H ATOM 922 HD21 ASN D 35 33.093 4.326 26.926 1.00 0.00 H ATOM 923 H ASN D 35 30.268 4.310 29.620 1.00 0.00 H ATOM 924 N PHE D 36 27.116 5.039 28.698 1.00 45.26 N ATOM 925 CA PHE D 36 25.707 5.409 28.687 1.00 39.05 C ATOM 926 C PHE D 36 25.628 6.909 28.895 1.00 39.88 C ATOM 927 O PHE D 36 26.365 7.415 29.722 1.00 42.75 O ATOM 928 CB PHE D 36 24.954 4.699 29.809 1.00 37.11 C ATOM 929 CG PHE D 36 23.511 5.011 29.836 1.00 30.73 C ATOM 930 CD1 PHE D 36 22.691 4.484 28.900 1.00 29.84 C ATOM 931 CD2 PHE D 36 22.963 5.823 30.836 1.00 33.02 C ATOM 932 CE1 PHE D 36 21.320 4.762 28.917 1.00 31.74 C ATOM 933 CE2 PHE D 36 21.607 6.114 30.864 1.00 32.02 C ATOM 934 CZ PHE D 36 20.775 5.582 29.891 1.00 31.09 C ATOM 935 H PHE D 36 27.503 4.517 29.510 1.00 0.00 H ATOM 936 N PRO D 37 24.743 7.628 28.157 1.00 43.99 N ATOM 937 CA PRO D 37 24.750 9.087 28.236 1.00 44.43 C ATOM 938 C PRO D 37 24.566 9.645 29.646 1.00 49.82 C ATOM 939 O PRO D 37 23.494 9.492 30.250 1.00 56.03 O ATOM 940 CB PRO D 37 23.567 9.481 27.326 1.00 45.87 C ATOM 941 CG PRO D 37 23.450 8.332 26.369 1.00 43.85 C ATOM 942 CD PRO D 37 23.654 7.163 27.268 1.00 41.34 C ATOM 943 N SER D 38 25.617 10.286 30.159 1.00 53.65 N ATOM 944 CA SER D 38 25.640 10.882 31.507 1.00 52.73 C ATOM 945 C SER D 38 24.429 11.754 31.813 1.00 53.63 C ATOM 946 O SER D 38 23.944 11.769 32.950 1.00 49.47 O ATOM 947 CB SER D 38 26.939 11.717 31.725 1.00 53.17 C ATOM 948 OG SER D 38 27.319 12.486 30.569 1.00 48.30 O ATOM 949 HG SER D 38 28.146 12.992 30.768 1.00 0.00 H ATOM 950 H SER D 38 26.472 10.370 29.573 1.00 0.00 H ATOM 951 N GLY D 39 23.963 12.493 30.807 1.00 55.25 N ATOM 952 CA GLY D 39 22.783 13.341 30.955 1.00 60.49 C ATOM 953 C GLY D 39 21.391 12.720 30.819 1.00 61.98 C ATOM 954 O GLY D 39 20.403 13.468 30.845 1.00 61.94 O ATOM 955 H GLY D 39 24.453 12.465 29.890 1.00 0.00 H ATOM 956 N SER D 40 21.272 11.388 30.672 1.00 59.51 N ATOM 957 CA SER D 40 19.935 10.755 30.590 1.00 53.65 C ATOM 958 C SER D 40 19.106 11.057 31.842 1.00 49.78 C ATOM 959 O SER D 40 19.660 11.066 32.933 1.00 47.27 O ATOM 960 CB SER D 40 20.032 9.235 30.422 1.00 55.53 C ATOM 961 OG SER D 40 18.729 8.647 30.448 1.00 54.90 O ATOM 962 HG SER D 40 18.185 9.020 29.709 1.00 0.00 H ATOM 963 H SER D 40 22.126 10.797 30.615 1.00 0.00 H ATOM 964 N PRO D 41 17.778 11.273 31.694 1.00 47.92 N ATOM 965 CA PRO D 41 16.935 11.505 32.869 1.00 44.57 C ATOM 966 C PRO D 41 16.610 10.268 33.680 1.00 41.60 C ATOM 967 O PRO D 41 16.042 10.399 34.777 1.00 38.46 O ATOM 968 CB PRO D 41 15.624 12.077 32.284 1.00 46.11 C ATOM 969 CG PRO D 41 15.718 11.938 30.808 1.00 48.54 C ATOM 970 CD PRO D 41 16.972 11.204 30.458 1.00 49.80 C ATOM 971 N VAL D 42 16.912 9.086 33.133 1.00 38.80 N ATOM 972 CA VAL D 42 16.662 7.818 33.792 1.00 32.86 C ATOM 973 C VAL D 42 17.995 7.124 33.926 1.00 32.47 C ATOM 974 O VAL D 42 18.675 6.824 32.943 1.00 31.18 O ATOM 975 CB VAL D 42 15.586 7.013 33.026 1.00 33.94 C ATOM 976 CG1 VAL D 42 15.209 5.722 33.766 1.00 35.25 C ATOM 977 CG2 VAL D 42 14.314 7.871 32.877 1.00 33.85 C ATOM 978 H VAL D 42 17.348 9.075 32.189 1.00 0.00 H ATOM 979 N SER D 43 18.388 6.898 35.169 1.00 32.24 N ATOM 980 CA SER D 43 19.751 6.482 35.472 1.00 30.51 C ATOM 981 C SER D 43 20.038 5.099 34.942 1.00 32.60 C ATOM 982 O SER D 43 19.109 4.261 34.809 1.00 30.44 O ATOM 983 CB SER D 43 19.990 6.508 36.980 1.00 31.17 C ATOM 984 OG SER D 43 19.497 5.336 37.580 1.00 32.07 O ATOM 985 HG SER D 43 18.524 5.264 37.410 1.00 0.00 H ATOM 986 H SER D 43 17.709 7.020 35.947 1.00 0.00 H ATOM 987 N ALA D 44 21.308 4.854 34.603 1.00 29.73 N ATOM 988 CA ALA D 44 21.788 3.478 34.304 1.00 30.12 C ATOM 989 C ALA D 44 21.299 2.425 35.286 1.00 26.05 C ATOM 990 O ALA D 44 20.917 1.330 34.872 1.00 24.83 O ATOM 991 CB ALA D 44 23.327 3.419 34.289 1.00 28.57 C ATOM 992 H ALA D 44 21.979 5.647 34.547 1.00 0.00 H ATOM 993 N SER D 45 21.408 2.699 36.580 1.00 26.51 N ATOM 994 CA SER D 45 21.043 1.665 37.591 1.00 26.87 C ATOM 995 C SER D 45 19.530 1.335 37.584 1.00 25.57 C ATOM 996 O SER D 45 19.141 0.193 37.672 1.00 23.94 O ATOM 997 CB SER D 45 21.547 2.058 38.993 1.00 28.23 C ATOM 998 OG SER D 45 20.855 3.166 39.488 1.00 34.55 O ATOM 999 HG SER D 45 21.200 3.394 40.387 1.00 0.00 H ATOM 1000 H SER D 45 21.747 3.633 36.888 1.00 0.00 H ATOM 1001 N THR D 46 18.688 2.354 37.484 1.00 26.30 N ATOM 1002 CA THR D 46 17.242 2.149 37.320 1.00 25.97 C ATOM 1003 C THR D 46 16.946 1.238 36.113 1.00 26.88 C ATOM 1004 O THR D 46 16.092 0.338 36.215 1.00 25.91 O ATOM 1005 CB THR D 46 16.489 3.474 37.154 1.00 27.60 C ATOM 1006 OG1 THR D 46 16.857 4.369 38.229 1.00 27.75 O ATOM 1007 CG2 THR D 46 14.985 3.231 37.195 1.00 28.72 C ATOM 1008 HG1 THR D 46 17.833 4.535 38.199 1.00 0.00 H ATOM 1009 H THR D 46 19.061 3.324 37.523 1.00 0.00 H ATOM 1010 N LEU D 47 17.698 1.429 35.016 1.00 23.18 N ATOM 1011 CA LEU D 47 17.424 0.747 33.754 1.00 26.55 C ATOM 1012 C LEU D 47 17.889 -0.733 33.852 1.00 24.73 C ATOM 1013 O LEU D 47 17.162 -1.683 33.406 1.00 30.36 O ATOM 1014 CB LEU D 47 18.082 1.527 32.582 1.00 27.93 C ATOM 1015 CG LEU D 47 17.555 2.989 32.391 1.00 32.76 C ATOM 1016 CD1 LEU D 47 18.574 3.870 31.677 1.00 34.11 C ATOM 1017 CD2 LEU D 47 16.224 3.074 31.651 1.00 34.34 C ATOM 1018 H LEU D 47 18.503 2.085 35.067 1.00 0.00 H ATOM 1019 N ALA D 48 19.039 -0.944 34.477 1.00 23.15 N ATOM 1020 CA ALA D 48 19.524 -2.300 34.760 1.00 23.08 C ATOM 1021 C ALA D 48 18.598 -3.026 35.701 1.00 22.54 C ATOM 1022 O ALA D 48 18.233 -4.190 35.431 1.00 26.90 O ATOM 1023 CB ALA D 48 20.925 -2.295 35.292 1.00 25.28 C ATOM 1024 H ALA D 48 19.612 -0.128 34.774 1.00 0.00 H ATOM 1025 N ARG D 49 18.133 -2.337 36.737 1.00 20.98 N ATOM 1026 CA ARG D 49 17.177 -2.943 37.701 1.00 23.16 C ATOM 1027 C ARG D 49 15.889 -3.320 36.956 1.00 24.45 C ATOM 1028 O ARG D 49 15.201 -4.253 37.417 1.00 24.90 O ATOM 1029 CB ARG D 49 16.886 -1.967 38.846 1.00 26.48 C ATOM 1030 CG ARG D 49 15.765 -2.413 39.774 1.00 29.83 C ATOM 1031 CD ARG D 49 15.614 -1.496 40.973 1.00 34.52 C ATOM 1032 NE ARG D 49 16.841 -1.390 41.749 1.00 44.40 N ATOM 1033 CZ ARG D 49 17.837 -0.557 41.472 1.00 50.83 C ATOM 1034 NH1 ARG D 49 17.694 0.355 40.525 1.00 51.50 N ATOM 1035 NH2 ARG D 49 18.973 -0.638 42.142 1.00 59.06 N ATOM 1036 HE ARG D 49 16.945 -2.010 42.578 1.00 0.00 H ATOM 1037 HH12 ARG D 49 18.475 1.007 40.309 1.00 0.00 H ATOM 1038 HH11 ARG D 49 16.801 0.420 39.996 1.00 0.00 H ATOM 1039 HH22 ARG D 49 19.753 0.015 41.924 1.00 0.00 H ATOM 1040 HH21 ARG D 49 19.087 -1.355 42.887 1.00 0.00 H ATOM 1041 H ARG D 49 18.444 -1.354 36.877 1.00 0.00 H ATOM 1042 N ALA D 50 15.569 -2.636 35.858 1.00 22.68 N ATOM 1043 CA ALA D 50 14.345 -2.943 35.080 1.00 22.29 C ATOM 1044 C ALA D 50 14.580 -3.974 33.954 1.00 20.79 C ATOM 1045 O ALA D 50 13.739 -4.189 33.098 1.00 23.00 O ATOM 1046 CB ALA D 50 13.756 -1.644 34.545 1.00 23.08 C ATOM 1047 H ALA D 50 16.193 -1.868 35.539 1.00 0.00 H ATOM 1048 N GLY D 51 15.753 -4.577 33.933 1.00 19.33 N ATOM 1049 CA GLY D 51 16.014 -5.716 33.133 1.00 20.66 C ATOM 1050 C GLY D 51 16.801 -5.346 31.900 1.00 21.35 C ATOM 1051 O GLY D 51 17.106 -6.248 31.114 1.00 19.01 O ATOM 1052 H GLY D 51 16.518 -4.200 34.529 1.00 0.00 H ATOM 1053 N PHE D 52 17.195 -4.068 31.775 1.00 22.80 N ATOM 1054 CA PHE D 52 17.841 -3.586 30.558 1.00 23.19 C ATOM 1055 C PHE D 52 19.381 -3.751 30.462 1.00 25.01 C ATOM 1056 O PHE D 52 20.108 -3.608 31.442 1.00 25.05 O ATOM 1057 CB PHE D 52 17.465 -2.111 30.314 1.00 23.62 C ATOM 1058 CG PHE D 52 16.054 -1.923 29.887 1.00 23.51 C ATOM 1059 CD1 PHE D 52 15.584 -2.521 28.721 1.00 26.23 C ATOM 1060 CD2 PHE D 52 15.169 -1.150 30.638 1.00 23.88 C ATOM 1061 CE1 PHE D 52 14.264 -2.370 28.309 1.00 23.09 C ATOM 1062 CE2 PHE D 52 13.860 -1.021 30.226 1.00 23.76 C ATOM 1063 CZ PHE D 52 13.420 -1.618 29.058 1.00 21.56 C ATOM 1064 H PHE D 52 17.036 -3.407 32.562 1.00 0.00 H ATOM 1065 N LEU D 53 19.834 -4.029 29.254 1.00 25.38 N ATOM 1066 CA LEU D 53 21.209 -3.909 28.864 1.00 28.36 C ATOM 1067 C LEU D 53 21.294 -2.657 28.048 1.00 29.50 C ATOM 1068 O LEU D 53 20.334 -2.294 27.394 1.00 23.08 O ATOM 1069 CB LEU D 53 21.610 -5.064 27.932 1.00 28.37 C ATOM 1070 CG LEU D 53 21.147 -6.434 28.396 1.00 29.49 C ATOM 1071 CD1 LEU D 53 21.583 -7.441 27.320 1.00 32.13 C ATOM 1072 CD2 LEU D 53 21.744 -6.709 29.758 1.00 29.60 C ATOM 1073 H LEU D 53 19.151 -4.355 28.540 1.00 0.00 H ATOM 1074 N TYR D 54 22.463 -2.015 28.042 1.00 34.09 N ATOM 1075 CA TYR D 54 22.685 -0.864 27.179 1.00 32.45 C ATOM 1076 C TYR D 54 23.201 -1.362 25.827 1.00 32.05 C ATOM 1077 O TYR D 54 24.024 -2.297 25.747 1.00 31.06 O ATOM 1078 CB TYR D 54 23.641 0.126 27.846 1.00 33.14 C ATOM 1079 CG TYR D 54 23.958 1.352 27.000 1.00 35.12 C ATOM 1080 CD1 TYR D 54 22.941 2.074 26.372 1.00 34.59 C ATOM 1081 CD2 TYR D 54 25.284 1.801 26.840 1.00 34.56 C ATOM 1082 CE1 TYR D 54 23.220 3.183 25.612 1.00 32.31 C ATOM 1083 CE2 TYR D 54 25.568 2.918 26.076 1.00 35.20 C ATOM 1084 CZ TYR D 54 24.529 3.591 25.447 1.00 35.25 C ATOM 1085 OH TYR D 54 24.790 4.698 24.677 1.00 35.16 O ATOM 1086 HH TYR D 54 23.941 5.049 24.308 1.00 0.00 H ATOM 1087 H TYR D 54 23.229 -2.342 28.665 1.00 0.00 H ATOM 1088 N THR D 55 22.692 -0.775 24.753 1.00 32.19 N ATOM 1089 CA THR D 55 23.004 -1.265 23.417 1.00 31.54 C ATOM 1090 C THR D 55 24.290 -0.668 22.899 1.00 33.56 C ATOM 1091 O THR D 55 24.897 -1.200 21.982 1.00 32.74 O ATOM 1092 CB THR D 55 21.900 -0.961 22.406 1.00 31.16 C ATOM 1093 OG1 THR D 55 21.667 0.457 22.345 1.00 29.22 O ATOM 1094 CG2 THR D 55 20.645 -1.753 22.763 1.00 31.32 C ATOM 1095 HG1 THR D 55 21.391 0.784 23.238 1.00 0.00 H ATOM 1096 H THR D 55 22.062 0.045 24.865 1.00 0.00 H ATOM 1097 N GLY D 56 24.673 0.465 23.456 1.00 33.81 N ATOM 1098 CA GLY D 56 25.833 1.166 22.997 1.00 35.93 C ATOM 1099 C GLY D 56 25.556 2.233 21.963 1.00 37.45 C ATOM 1100 O GLY D 56 26.498 2.773 21.419 1.00 36.02 O ATOM 1101 H GLY D 56 24.120 0.857 24.245 1.00 0.00 H ATOM 1102 N GLU D 57 24.285 2.522 21.677 1.00 41.52 N ATOM 1103 CA GLU D 57 23.884 3.618 20.789 1.00 41.53 C ATOM 1104 C GLU D 57 22.729 4.361 21.425 1.00 38.76 C ATOM 1105 O GLU D 57 21.779 3.738 21.925 1.00 33.12 O ATOM 1106 CB GLU D 57 23.557 3.149 19.362 1.00 47.31 C ATOM 1107 CG GLU D 57 23.042 1.720 19.195 1.00 52.33 C ATOM 1108 CD GLU D 57 21.532 1.609 19.000 1.00 56.92 C ATOM 1109 OE1 GLU D 57 21.042 2.243 18.014 1.00 60.83 O ATOM 1110 OE2 GLU D 57 20.865 0.850 19.788 1.00 44.14 O ATOM 1111 H GLU D 57 23.539 1.939 22.107 1.00 0.00 H ATOM 1112 N GLY D 58 22.850 5.688 21.454 1.00 35.96 N ATOM 1113 CA GLY D 58 21.874 6.575 22.087 1.00 39.13 C ATOM 1114 C GLY D 58 21.571 6.289 23.560 1.00 38.46 C ATOM 1115 O GLY D 58 22.479 6.027 24.348 1.00 36.80 O ATOM 1116 H GLY D 58 23.683 6.116 21.002 1.00 0.00 H ATOM 1117 N ASP D 59 20.292 6.397 23.917 1.00 32.11 N ATOM 1118 CA ASP D 59 19.753 5.836 25.177 1.00 28.40 C ATOM 1119 C ASP D 59 18.930 4.582 24.906 1.00 28.02 C ATOM 1120 O ASP D 59 18.000 4.221 25.672 1.00 27.63 O ATOM 1121 CB ASP D 59 18.925 6.901 25.904 1.00 28.34 C ATOM 1122 CG ASP D 59 17.743 7.427 25.068 1.00 26.21 C ATOM 1123 OD1 ASP D 59 17.617 7.128 23.868 1.00 32.08 O ATOM 1124 OD2 ASP D 59 16.925 8.164 25.607 1.00 25.26 O ATOM 1125 H ASP D 59 19.641 6.899 23.280 1.00 0.00 H ATOM 1126 N THR D 60 19.251 3.920 23.792 1.00 28.70 N ATOM 1127 CA THR D 60 18.598 2.685 23.439 1.00 26.89 C ATOM 1128 C THR D 60 19.049 1.572 24.388 1.00 25.71 C ATOM 1129 O THR D 60 20.222 1.259 24.440 1.00 23.17 O ATOM 1130 CB THR D 60 18.854 2.292 21.985 1.00 27.96 C ATOM 1131 OG1 THR D 60 18.220 3.248 21.107 1.00 26.99 O ATOM 1132 CG2 THR D 60 18.257 0.901 21.668 1.00 28.27 C ATOM 1133 HG1 THR D 60 18.595 4.149 21.276 1.00 0.00 H ATOM 1134 H THR D 60 19.988 4.304 23.166 1.00 0.00 H ATOM 1135 N VAL D 61 18.092 0.949 25.081 1.00 24.65 N ATOM 1136 CA VAL D 61 18.415 -0.139 26.043 1.00 22.54 C ATOM 1137 C VAL D 61 17.620 -1.337 25.581 1.00 21.48 C ATOM 1138 O VAL D 61 16.606 -1.170 24.916 1.00 21.14 O ATOM 1139 CB VAL D 61 18.072 0.256 27.504 1.00 21.00 C ATOM 1140 CG1 VAL D 61 18.871 1.432 27.970 1.00 21.73 C ATOM 1141 CG2 VAL D 61 16.624 0.578 27.657 1.00 22.92 C ATOM 1142 H VAL D 61 17.100 1.230 24.945 1.00 0.00 H ATOM 1143 N ARG D 62 18.006 -2.546 25.945 1.00 20.40 N ATOM 1144 CA ARG D 62 17.313 -3.716 25.454 1.00 20.56 C ATOM 1145 C ARG D 62 17.276 -4.745 26.541 1.00 24.31 C ATOM 1146 O ARG D 62 18.317 -4.991 27.193 1.00 21.31 O ATOM 1147 CB ARG D 62 18.028 -4.255 24.207 1.00 22.14 C ATOM 1148 CG ARG D 62 17.445 -5.523 23.612 1.00 23.43 C ATOM 1149 CD ARG D 62 18.249 -6.006 22.411 1.00 24.51 C ATOM 1150 NE ARG D 62 18.459 -5.004 21.377 1.00 26.14 N ATOM 1151 CZ ARG D 62 17.530 -4.647 20.462 1.00 26.71 C ATOM 1152 NH1 ARG D 62 16.292 -5.147 20.484 1.00 27.55 N ATOM 1153 NH2 ARG D 62 17.826 -3.750 19.554 1.00 25.82 N ATOM 1154 HE ARG D 62 19.385 -4.531 21.339 1.00 0.00 H ATOM 1155 HH12 ARG D 62 15.599 -4.853 19.766 1.00 0.00 H ATOM 1156 HH11 ARG D 62 16.020 -5.831 21.219 1.00 0.00 H ATOM 1157 HH22 ARG D 62 17.116 -3.471 18.847 1.00 0.00 H ATOM 1158 HH21 ARG D 62 18.771 -3.317 19.540 1.00 0.00 H ATOM 1159 H ARG D 62 18.814 -2.658 26.590 1.00 0.00 H ATOM 1160 N CYS D 63 16.082 -5.301 26.786 1.00 24.98 N ATOM 1161 CA CYS D 63 15.895 -6.321 27.820 1.00 26.67 C ATOM 1162 C CYS D 63 16.622 -7.591 27.445 1.00 28.10 C ATOM 1163 O CYS D 63 16.520 -8.077 26.284 1.00 31.52 O ATOM 1164 CB CYS D 63 14.415 -6.641 28.034 1.00 26.43 C ATOM 1165 SG CYS D 63 14.070 -7.984 29.172 1.00 26.94 S ATOM 1166 H CYS D 63 15.261 -4.998 26.224 1.00 0.00 H ATOM 1167 N PHE D 64 17.412 -8.097 28.408 1.00 30.03 N ATOM 1168 CA PHE D 64 18.183 -9.342 28.264 1.00 24.73 C ATOM 1169 C PHE D 64 17.296 -10.561 28.013 1.00 26.51 C ATOM 1170 O PHE D 64 17.785 -11.568 27.475 1.00 27.85 O ATOM 1171 CB PHE D 64 19.053 -9.600 29.526 1.00 22.75 C ATOM 1172 CG PHE D 64 18.303 -10.240 30.666 1.00 22.25 C ATOM 1173 CD1 PHE D 64 17.564 -9.459 31.541 1.00 20.74 C ATOM 1174 CD2 PHE D 64 18.295 -11.631 30.843 1.00 20.81 C ATOM 1175 CE1 PHE D 64 16.852 -10.043 32.582 1.00 21.02 C ATOM 1176 CE2 PHE D 64 17.609 -12.222 31.915 1.00 20.31 C ATOM 1177 CZ PHE D 64 16.859 -11.441 32.763 1.00 19.50 C ATOM 1178 H PHE D 64 17.482 -7.578 29.307 1.00 0.00 H ATOM 1179 N SER D 65 16.021 -10.495 28.446 1.00 25.09 N ATOM 1180 CA SER D 65 15.104 -11.625 28.373 1.00 26.86 C ATOM 1181 C SER D 65 14.225 -11.599 27.138 1.00 27.07 C ATOM 1182 O SER D 65 14.198 -12.584 26.337 1.00 25.44 O ATOM 1183 CB SER D 65 14.210 -11.687 29.648 1.00 26.78 C ATOM 1184 OG SER D 65 13.175 -12.683 29.534 1.00 27.62 O ATOM 1185 HG SER D 65 12.596 -12.469 28.760 1.00 0.00 H ATOM 1186 H SER D 65 15.677 -9.600 28.849 1.00 0.00 H ATOM 1187 N CYS D 66 13.425 -10.530 27.017 1.00 24.88 N ATOM 1188 CA CYS D 66 12.450 -10.482 25.951 1.00 26.09 C ATOM 1189 C CYS D 66 13.112 -9.992 24.679 1.00 26.57 C ATOM 1190 O CYS D 66 12.529 -10.124 23.581 1.00 24.64 O ATOM 1191 CB CYS D 66 11.215 -9.650 26.307 1.00 26.60 C ATOM 1192 SG CYS D 66 11.454 -7.870 26.491 1.00 22.92 S ATOM 1193 H CYS D 66 13.506 -9.739 27.687 1.00 0.00 H ATOM 1194 N HIS D 67 14.312 -9.436 24.819 1.00 26.67 N ATOM 1195 CA HIS D 67 15.067 -8.806 23.698 1.00 28.94 C ATOM 1196 C HIS D 67 14.428 -7.579 23.054 1.00 29.49 C ATOM 1197 O HIS D 67 14.848 -7.152 21.958 1.00 29.94 O ATOM 1198 CB HIS D 67 15.504 -9.848 22.647 1.00 30.74 C ATOM 1199 CG HIS D 67 16.151 -11.089 23.241 1.00 29.47 C ATOM 1200 ND1 HIS D 67 15.543 -12.329 23.237 1.00 29.99 N ATOM 1201 CD2 HIS D 67 17.352 -11.276 23.847 1.00 31.39 C ATOM 1202 CE1 HIS D 67 16.319 -13.220 23.831 1.00 26.36 C ATOM 1203 NE2 HIS D 67 17.430 -12.609 24.197 1.00 31.39 N ATOM 1204 H HIS D 67 14.748 -9.441 25.763 1.00 0.00 H ATOM 1205 N ALA D 68 13.425 -6.997 23.738 1.00 27.17 N ATOM 1206 CA ALA D 68 12.736 -5.866 23.225 1.00 23.63 C ATOM 1207 C ALA D 68 13.406 -4.600 23.737 1.00 26.68 C ATOM 1208 O ALA D 68 13.958 -4.564 24.844 1.00 23.16 O ATOM 1209 CB ALA D 68 11.268 -5.924 23.573 1.00 24.28 C ATOM 1210 H ALA D 68 13.149 -7.384 24.663 1.00 0.00 H ATOM 1211 N ALA D 69 13.413 -3.567 22.880 1.00 27.11 N ATOM 1212 CA ALA D 69 14.198 -2.393 23.114 1.00 25.53 C ATOM 1213 C ALA D 69 13.337 -1.201 23.369 1.00 25.39 C ATOM 1214 O ALA D 69 12.192 -1.125 22.919 1.00 27.17 O ATOM 1215 CB ALA D 69 15.123 -2.108 21.945 1.00 27.46 C ATOM 1216 H ALA D 69 12.831 -3.621 22.020 1.00 0.00 H ATOM 1217 N VAL D 70 13.931 -0.263 24.101 1.00 28.89 N ATOM 1218 CA VAL D 70 13.317 1.023 24.443 1.00 28.02 C ATOM 1219 C VAL D 70 14.353 2.113 24.367 1.00 26.01 C ATOM 1220 O VAL D 70 15.479 1.921 24.807 1.00 21.71 O ATOM 1221 CB VAL D 70 12.749 1.039 25.885 1.00 25.25 C ATOM 1222 CG1 VAL D 70 11.999 2.306 26.110 1.00 25.15 C ATOM 1223 CG2 VAL D 70 11.871 -0.161 26.150 1.00 27.79 C ATOM 1224 H VAL D 70 14.891 -0.454 24.453 1.00 0.00 H ATOM 1225 N ASP D 71 13.928 3.267 23.829 1.00 23.91 N ATOM 1226 CA ASP D 71 14.751 4.454 23.699 1.00 25.88 C ATOM 1227 C ASP D 71 13.987 5.681 24.143 1.00 25.27 C ATOM 1228 O ASP D 71 12.847 5.564 24.584 1.00 27.36 O ATOM 1229 CB ASP D 71 15.226 4.611 22.208 1.00 28.99 C ATOM 1230 CG ASP D 71 14.057 4.791 21.192 1.00 26.68 C ATOM 1231 OD1 ASP D 71 12.886 4.768 21.588 1.00 26.15 O ATOM 1232 OD2 ASP D 71 14.312 4.989 19.965 1.00 29.60 O ATOM 1233 H ASP D 71 12.948 3.313 23.484 1.00 0.00 H ATOM 1234 N ARG D 72 14.613 6.852 24.034 1.00 27.37 N ATOM 1235 CA ARG D 72 13.919 8.163 24.141 1.00 25.80 C ATOM 1236 C ARG D 72 13.332 8.389 25.520 1.00 25.64 C ATOM 1237 O ARG D 72 12.170 8.730 25.672 1.00 23.41 O ATOM 1238 CB ARG D 72 12.837 8.264 23.058 1.00 27.05 C ATOM 1239 CG ARG D 72 12.424 9.646 22.656 1.00 25.77 C ATOM 1240 CD ARG D 72 11.989 9.664 21.184 1.00 24.51 C ATOM 1241 NE ARG D 72 13.134 9.612 20.254 1.00 23.38 N ATOM 1242 CZ ARG D 72 13.021 9.689 18.921 1.00 20.33 C ATOM 1243 NH1 ARG D 72 11.815 9.802 18.375 1.00 21.15 N ATOM 1244 NH2 ARG D 72 14.095 9.660 18.145 1.00 19.42 N ATOM 1245 HE ARG D 72 14.087 9.509 20.658 1.00 0.00 H ATOM 1246 HH12 ARG D 72 11.716 9.863 17.342 1.00 0.00 H ATOM 1247 HH11 ARG D 72 10.970 9.830 18.981 1.00 0.00 H ATOM 1248 HH22 ARG D 72 13.992 9.721 17.112 1.00 0.00 H ATOM 1249 HH21 ARG D 72 15.041 9.577 18.569 1.00 0.00 H ATOM 1250 H ARG D 72 15.639 6.849 23.866 1.00 0.00 H ATOM 1251 N TRP D 73 14.207 8.242 26.510 1.00 27.92 N ATOM 1252 CA TRP D 73 13.846 8.322 27.903 1.00 26.11 C ATOM 1253 C TRP D 73 13.690 9.790 28.262 1.00 30.92 C ATOM 1254 O TRP D 73 14.529 10.637 27.860 1.00 31.26 O ATOM 1255 CB TRP D 73 14.907 7.643 28.749 1.00 26.04 C ATOM 1256 CG TRP D 73 14.995 6.162 28.537 1.00 24.22 C ATOM 1257 CD1 TRP D 73 15.860 5.502 27.747 1.00 23.18 C ATOM 1258 CD2 TRP D 73 14.203 5.185 29.174 1.00 24.05 C ATOM 1259 NE1 TRP D 73 15.660 4.152 27.837 1.00 24.11 N ATOM 1260 CE2 TRP D 73 14.633 3.932 28.710 1.00 24.35 C ATOM 1261 CE3 TRP D 73 13.154 5.246 30.086 1.00 25.70 C ATOM 1262 CZ2 TRP D 73 14.050 2.767 29.113 1.00 24.76 C ATOM 1263 CZ3 TRP D 73 12.562 4.086 30.489 1.00 26.42 C ATOM 1264 CH2 TRP D 73 13.015 2.858 30.020 1.00 27.58 C ATOM 1265 HE1 TRP D 73 16.197 3.420 27.329 1.00 0.00 H ATOM 1266 H TRP D 73 15.202 8.060 26.267 1.00 0.00 H ATOM 1267 N GLN D 74 12.590 10.079 28.966 1.00 33.34 N ATOM 1268 CA GLN D 74 12.156 11.427 29.318 1.00 34.81 C ATOM 1269 C GLN D 74 12.089 11.461 30.852 1.00 35.78 C ATOM 1270 O GLN D 74 11.846 10.451 31.500 1.00 32.85 O ATOM 1271 CB GLN D 74 10.780 11.765 28.653 1.00 40.92 C ATOM 1272 CG GLN D 74 10.785 11.895 27.086 1.00 43.59 C ATOM 1273 CD GLN D 74 9.405 12.066 26.377 1.00 44.02 C ATOM 1274 OE1 GLN D 74 9.347 12.394 25.191 1.00 47.82 O ATOM 1275 NE2 GLN D 74 8.310 11.845 27.094 1.00 44.18 N ATOM 1276 HE22 GLN D 74 8.390 11.569 28.094 1.00 0.00 H ATOM 1277 HE21 GLN D 74 7.372 11.948 26.656 1.00 0.00 H ATOM 1278 H GLN D 74 12.000 9.284 29.286 1.00 0.00 H ATOM 1279 N TYR D 75 12.361 12.624 31.420 1.00 38.75 N ATOM 1280 CA TYR D 75 12.183 12.881 32.845 1.00 42.59 C ATOM 1281 C TYR D 75 10.828 12.358 33.339 1.00 36.81 C ATOM 1282 O TYR D 75 9.773 12.686 32.809 1.00 35.02 O ATOM 1283 CB TYR D 75 12.338 14.394 33.093 1.00 50.73 C ATOM 1284 CG TYR D 75 11.934 14.868 34.459 1.00 58.55 C ATOM 1285 CD1 TYR D 75 12.854 14.898 35.514 1.00 64.52 C ATOM 1286 CD2 TYR D 75 10.626 15.300 34.700 1.00 61.15 C ATOM 1287 CE1 TYR D 75 12.477 15.349 36.775 1.00 70.12 C ATOM 1288 CE2 TYR D 75 10.236 15.730 35.952 1.00 66.00 C ATOM 1289 CZ TYR D 75 11.163 15.755 36.987 1.00 68.86 C ATOM 1290 OH TYR D 75 10.761 16.187 38.225 1.00 70.05 O ATOM 1291 HH TYR D 75 11.526 16.148 38.852 1.00 0.00 H ATOM 1292 H TYR D 75 12.720 13.394 30.820 1.00 0.00 H ATOM 1293 N GLY D 76 10.881 11.502 34.341 1.00 35.16 N ATOM 1294 CA GLY D 76 9.692 10.944 34.942 1.00 34.98 C ATOM 1295 C GLY D 76 9.277 9.611 34.356 1.00 35.95 C ATOM 1296 O GLY D 76 8.262 9.072 34.759 1.00 38.74 O ATOM 1297 H GLY D 76 11.811 11.219 34.711 1.00 0.00 H ATOM 1298 N ASP D 77 10.033 9.041 33.420 1.00 34.32 N ATOM 1299 CA ASP D 77 9.602 7.723 32.875 1.00 29.09 C ATOM 1300 C ASP D 77 9.785 6.692 33.936 1.00 27.55 C ATOM 1301 O ASP D 77 10.738 6.784 34.710 1.00 28.03 O ATOM 1302 CB ASP D 77 10.447 7.281 31.684 1.00 28.84 C ATOM 1303 CG ASP D 77 10.071 7.985 30.419 1.00 25.72 C ATOM 1304 OD1 ASP D 77 8.953 8.424 30.344 1.00 23.50 O ATOM 1305 OD2 ASP D 77 10.911 8.138 29.521 1.00 25.46 O ATOM 1306 H ASP D 77 10.900 9.503 33.079 1.00 0.00 H ATOM 1307 N SER D 78 8.916 5.700 33.953 1.00 25.31 N ATOM 1308 CA SER D 78 9.153 4.512 34.775 1.00 28.01 C ATOM 1309 C SER D 78 9.858 3.518 33.903 1.00 26.12 C ATOM 1310 O SER D 78 9.270 3.048 32.893 1.00 27.28 O ATOM 1311 CB SER D 78 7.842 3.877 35.276 1.00 26.15 C ATOM 1312 OG SER D 78 8.046 2.532 35.690 1.00 26.92 O ATOM 1313 HG SER D 78 8.383 2.000 34.926 1.00 0.00 H ATOM 1314 H SER D 78 8.053 5.762 33.376 1.00 0.00 H ATOM 1315 N ALA D 79 11.020 3.082 34.344 1.00 23.08 N ATOM 1316 CA ALA D 79 11.766 2.139 33.554 1.00 24.72 C ATOM 1317 C ALA D 79 11.026 0.790 33.462 1.00 24.37 C ATOM 1318 O ALA D 79 10.759 0.301 32.368 1.00 23.70 O ATOM 1319 CB ALA D 79 13.159 2.028 34.049 1.00 24.49 C ATOM 1320 H ALA D 79 11.395 3.416 35.255 1.00 0.00 H ATOM 1321 N VAL D 80 10.581 0.265 34.587 1.00 26.13 N ATOM 1322 CA VAL D 80 9.690 -0.905 34.590 1.00 26.61 C ATOM 1323 C VAL D 80 8.348 -0.665 33.811 1.00 24.33 C ATOM 1324 O VAL D 80 7.889 -1.577 33.179 1.00 23.99 O ATOM 1325 CB VAL D 80 9.378 -1.408 36.046 1.00 29.20 C ATOM 1326 CG1 VAL D 80 8.315 -2.497 36.024 1.00 28.68 C ATOM 1327 CG2 VAL D 80 10.634 -1.988 36.694 1.00 33.05 C ATOM 1328 H VAL D 80 10.867 0.688 35.493 1.00 0.00 H ATOM 1329 N GLY D 81 7.742 0.526 33.900 1.00 24.60 N ATOM 1330 CA GLY D 81 6.446 0.848 33.227 1.00 28.21 C ATOM 1331 C GLY D 81 6.511 0.728 31.719 1.00 27.63 C ATOM 1332 O GLY D 81 5.772 -0.053 31.076 1.00 29.93 O ATOM 1333 H GLY D 81 8.198 1.268 34.469 1.00 0.00 H ATOM 1334 N ARG D 82 7.464 1.443 31.150 1.00 26.16 N ATOM 1335 CA ARG D 82 7.661 1.380 29.695 1.00 24.99 C ATOM 1336 C ARG D 82 8.045 -0.031 29.242 1.00 25.24 C ATOM 1337 O ARG D 82 7.613 -0.487 28.203 1.00 24.06 O ATOM 1338 CB ARG D 82 8.696 2.424 29.261 1.00 24.05 C ATOM 1339 CG ARG D 82 8.256 3.873 29.473 1.00 25.45 C ATOM 1340 CD ARG D 82 9.138 4.862 28.766 1.00 24.25 C ATOM 1341 NE ARG D 82 9.086 4.787 27.292 1.00 26.45 N ATOM 1342 CZ ARG D 82 10.084 5.160 26.446 1.00 25.76 C ATOM 1343 NH1 ARG D 82 11.246 5.623 26.921 1.00 26.12 N ATOM 1344 NH2 ARG D 82 9.926 5.096 25.107 1.00 23.51 N ATOM 1345 HE ARG D 82 8.213 4.418 26.865 1.00 0.00 H ATOM 1346 HH12 ARG D 82 12.001 5.905 26.264 1.00 0.00 H ATOM 1347 HH11 ARG D 82 11.394 5.701 27.947 1.00 0.00 H ATOM 1348 HH22 ARG D 82 10.701 5.386 24.477 1.00 0.00 H ATOM 1349 HH21 ARG D 82 9.029 4.757 24.705 1.00 0.00 H ATOM 1350 H ARG D 82 8.075 2.051 31.732 1.00 0.00 H ATOM 1351 N HIS D 83 8.824 -0.762 30.054 1.00 24.23 N ATOM 1352 CA HIS D 83 9.195 -2.129 29.707 1.00 21.59 C ATOM 1353 C HIS D 83 7.942 -2.999 29.627 1.00 23.31 C ATOM 1354 O HIS D 83 7.762 -3.696 28.643 1.00 20.25 O ATOM 1355 CB HIS D 83 10.140 -2.707 30.749 1.00 22.11 C ATOM 1356 CG HIS D 83 10.842 -3.985 30.351 1.00 19.72 C ATOM 1357 ND1 HIS D 83 11.919 -4.466 31.073 1.00 17.94 N ATOM 1358 CD2 HIS D 83 10.601 -4.901 29.376 1.00 18.60 C ATOM 1359 CE1 HIS D 83 12.299 -5.615 30.551 1.00 18.29 C ATOM 1360 NE2 HIS D 83 11.526 -5.905 29.511 1.00 16.05 N ATOM 1361 H HIS D 83 9.168 -0.348 30.944 1.00 0.00 H ATOM 1362 N ARG D 84 7.117 -2.988 30.646 1.00 20.46 N ATOM 1363 CA ARG D 84 5.899 -3.756 30.664 1.00 21.00 C ATOM 1364 C ARG D 84 5.005 -3.423 29.469 1.00 23.54 C ATOM 1365 O ARG D 84 4.363 -4.260 28.916 1.00 23.64 O ATOM 1366 CB ARG D 84 5.149 -3.401 31.922 1.00 21.77 C ATOM 1367 CG ARG D 84 3.707 -3.866 31.956 1.00 22.32 C ATOM 1368 CD ARG D 84 3.065 -3.539 33.285 1.00 23.01 C ATOM 1369 NE ARG D 84 3.174 -2.145 33.698 1.00 23.94 N ATOM 1370 CZ ARG D 84 2.664 -1.103 33.058 1.00 24.93 C ATOM 1371 NH1 ARG D 84 2.023 -1.219 31.939 1.00 28.28 N ATOM 1372 NH2 ARG D 84 2.788 0.058 33.564 1.00 24.91 N ATOM 1373 HE ARG D 84 3.700 -1.951 34.574 1.00 0.00 H ATOM 1374 HH12 ARG D 84 1.639 -0.374 31.470 1.00 0.00 H ATOM 1375 HH11 ARG D 84 1.892 -2.157 31.509 1.00 0.00 H ATOM 1376 HH22 ARG D 84 2.392 0.885 33.072 1.00 0.00 H ATOM 1377 HH21 ARG D 84 3.285 0.180 34.469 1.00 0.00 H ATOM 1378 H ARG D 84 7.351 -2.402 31.473 1.00 0.00 H ATOM 1379 N LYS D 85 4.995 -2.156 29.130 1.00 23.33 N ATOM 1380 CA LYS D 85 4.224 -1.686 28.045 1.00 26.58 C ATOM 1381 C LYS D 85 4.627 -2.259 26.706 1.00 27.53 C ATOM 1382 O LYS D 85 3.779 -2.600 25.930 1.00 22.83 O ATOM 1383 CB LYS D 85 4.314 -0.194 28.005 1.00 31.06 C ATOM 1384 CG LYS D 85 3.594 0.424 26.857 1.00 35.91 C ATOM 1385 CD LYS D 85 3.559 1.938 27.030 1.00 38.74 C ATOM 1386 CE LYS D 85 4.645 2.630 26.247 1.00 42.91 C ATOM 1387 NZ LYS D 85 4.356 2.647 24.803 1.00 47.77 N ATOM 1388 HZ1 LYS D 85 4.275 1.670 24.455 1.00 0.00 H ATOM 1389 HZ2 LYS D 85 3.462 3.151 24.636 1.00 0.00 H ATOM 1390 HZ3 LYS D 85 5.128 3.132 24.302 1.00 0.00 H ATOM 1391 H LYS D 85 5.569 -1.481 29.674 1.00 0.00 H ATOM 1392 N VAL D 86 5.930 -2.329 26.452 1.00 28.00 N ATOM 1393 CA VAL D 86 6.402 -2.864 25.206 1.00 31.18 C ATOM 1394 C VAL D 86 6.419 -4.378 25.264 1.00 32.09 C ATOM 1395 O VAL D 86 6.146 -4.999 24.293 1.00 44.72 O ATOM 1396 CB VAL D 86 7.651 -2.158 24.623 1.00 34.56 C ATOM 1397 CG1 VAL D 86 7.764 -0.700 25.051 1.00 34.39 C ATOM 1398 CG2 VAL D 86 8.925 -2.962 24.703 1.00 35.58 C ATOM 1399 H VAL D 86 6.613 -1.994 27.161 1.00 0.00 H ATOM 1400 N SER D 87 6.684 -4.966 26.398 1.00 32.19 N ATOM 1401 CA SER D 87 6.649 -6.405 26.540 1.00 27.02 C ATOM 1402 C SER D 87 5.883 -6.938 27.769 1.00 29.00 C ATOM 1403 O SER D 87 6.448 -7.409 28.699 1.00 17.60 O ATOM 1404 CB SER D 87 8.047 -6.950 26.518 1.00 26.87 C ATOM 1405 OG SER D 87 8.726 -6.413 25.449 1.00 25.24 O ATOM 1406 HG SER D 87 8.261 -6.655 24.609 1.00 0.00 H ATOM 1407 H SER D 87 6.928 -4.383 27.224 1.00 0.00 H ATOM 1408 N PRO D 88 4.491 -6.827 27.632 1.00 32.72 N ATOM 1409 CA PRO D 88 3.648 -7.299 28.742 1.00 33.05 C ATOM 1410 C PRO D 88 3.744 -8.770 29.049 1.00 30.32 C ATOM 1411 O PRO D 88 3.440 -9.165 30.103 1.00 34.54 O ATOM 1412 CB PRO D 88 2.226 -6.978 28.282 1.00 34.57 C ATOM 1413 CG PRO D 88 2.288 -6.917 26.833 1.00 36.58 C ATOM 1414 CD PRO D 88 3.545 -6.182 26.621 1.00 36.45 C ATOM 1415 N ASN D 89 4.149 -9.555 28.099 1.00 30.88 N ATOM 1416 CA ASN D 89 4.379 -10.961 28.289 1.00 32.81 C ATOM 1417 C ASN D 89 5.863 -11.322 28.550 1.00 33.76 C ATOM 1418 O ASN D 89 6.178 -12.500 28.621 1.00 33.45 O ATOM 1419 CB ASN D 89 3.728 -11.694 27.115 1.00 34.47 C ATOM 1420 CG ASN D 89 2.276 -11.258 26.913 1.00 35.58 C ATOM 1421 OD1 ASN D 89 1.559 -11.068 27.894 1.00 35.08 O ATOM 1422 ND2 ASN D 89 1.850 -11.060 25.644 1.00 35.96 N ATOM 1423 HD22 ASN D 89 2.494 -11.234 24.846 1.00 0.00 H ATOM 1424 HD21 ASN D 89 0.879 -10.733 25.467 1.00 0.00 H ATOM 1425 H ASN D 89 4.315 -9.148 27.156 1.00 0.00 H ATOM 1426 N CYS D 90 6.748 -10.329 28.743 1.00 30.00 N ATOM 1427 CA CYS D 90 8.185 -10.588 29.111 1.00 32.53 C ATOM 1428 C CYS D 90 8.349 -11.362 30.419 1.00 32.71 C ATOM 1429 O CYS D 90 7.743 -10.997 31.463 1.00 38.11 O ATOM 1430 CB CYS D 90 8.958 -9.278 29.228 1.00 33.11 C ATOM 1431 SG CYS D 90 10.605 -9.411 29.962 1.00 25.89 S ATOM 1432 H CYS D 90 6.428 -9.345 28.634 1.00 0.00 H ATOM 1433 N ARG D 91 9.182 -12.400 30.369 1.00 32.59 N ATOM 1434 CA ARG D 91 9.356 -13.327 31.469 1.00 33.06 C ATOM 1435 C ARG D 91 9.957 -12.616 32.673 1.00 29.17 C ATOM 1436 O ARG D 91 9.434 -12.749 33.809 1.00 26.25 O ATOM 1437 CB ARG D 91 10.211 -14.538 31.059 1.00 38.31 C ATOM 1438 CG ARG D 91 9.463 -15.548 30.184 1.00 43.56 C ATOM 1439 CD ARG D 91 10.169 -16.905 30.106 1.00 50.64 C ATOM 1440 NE ARG D 91 11.627 -16.787 29.911 1.00 62.99 N ATOM 1441 CZ ARG D 91 12.528 -17.759 30.119 1.00 72.26 C ATOM 1442 NH1 ARG D 91 12.155 -18.986 30.500 1.00 80.44 N ATOM 1443 NH2 ARG D 91 13.830 -17.508 29.930 1.00 71.42 N ATOM 1444 HE ARG D 91 11.988 -15.869 29.583 1.00 0.00 H ATOM 1445 HH12 ARG D 91 12.872 -19.723 30.655 1.00 0.00 H ATOM 1446 HH11 ARG D 91 11.148 -19.203 30.641 1.00 0.00 H ATOM 1447 HH22 ARG D 91 14.533 -18.258 30.090 1.00 0.00 H ATOM 1448 HH21 ARG D 91 14.138 -16.563 29.623 1.00 0.00 H ATOM 1449 H ARG D 91 9.733 -12.552 29.500 1.00 0.00 H ATOM 1450 N PHE D 92 10.965 -11.778 32.406 1.00 26.49 N ATOM 1451 CA PHE D 92 11.545 -10.892 33.438 1.00 25.50 C ATOM 1452 C PHE D 92 10.527 -9.974 34.104 1.00 24.99 C ATOM 1453 O PHE D 92 10.469 -9.914 35.338 1.00 22.89 O ATOM 1454 CB PHE D 92 12.605 -9.973 32.861 1.00 26.44 C ATOM 1455 CG PHE D 92 13.260 -9.073 33.894 1.00 24.58 C ATOM 1456 CD1 PHE D 92 14.298 -9.562 34.707 1.00 26.74 C ATOM 1457 CD2 PHE D 92 12.851 -7.758 34.038 1.00 24.46 C ATOM 1458 CE1 PHE D 92 14.910 -8.709 35.635 1.00 26.47 C ATOM 1459 CE2 PHE D 92 13.428 -6.926 34.978 1.00 25.82 C ATOM 1460 CZ PHE D 92 14.481 -7.389 35.752 1.00 27.25 C ATOM 1461 H PHE D 92 11.353 -11.749 31.442 1.00 0.00 H ATOM 1462 N ILE D 93 9.741 -9.264 33.278 1.00 25.62 N ATOM 1463 CA ILE D 93 8.791 -8.257 33.803 1.00 28.66 C ATOM 1464 C ILE D 93 7.705 -8.879 34.660 1.00 31.47 C ATOM 1465 O ILE D 93 7.219 -8.227 35.584 1.00 31.87 O ATOM 1466 CB ILE D 93 8.241 -7.333 32.680 1.00 28.90 C ATOM 1467 CG1 ILE D 93 8.227 -5.840 33.121 1.00 30.22 C ATOM 1468 CG2 ILE D 93 6.863 -7.757 32.180 1.00 29.20 C ATOM 1469 CD1 ILE D 93 9.590 -5.307 33.533 1.00 30.18 C ATOM 1470 H ILE D 93 9.801 -9.424 32.252 1.00 0.00 H ATOM 1471 N ASN D 94 7.345 -10.138 34.355 1.00 31.87 N ATOM 1472 CA ASN D 94 6.375 -10.938 35.163 1.00 35.25 C ATOM 1473 C ASN D 94 6.981 -11.875 36.235 1.00 37.66 C ATOM 1474 O ASN D 94 6.281 -12.742 36.758 1.00 43.31 O ATOM 1475 CB ASN D 94 5.467 -11.757 34.217 1.00 32.46 C ATOM 1476 CG ASN D 94 4.678 -10.869 33.268 1.00 34.16 C ATOM 1477 OD1 ASN D 94 3.712 -10.248 33.677 1.00 37.34 O ATOM 1478 ND2 ASN D 94 5.100 -10.801 32.002 1.00 28.29 N ATOM 1479 HD22 ASN D 94 5.930 -11.350 31.700 1.00 0.00 H ATOM 1480 HD21 ASN D 94 4.598 -10.199 31.318 1.00 0.00 H ATOM 1481 H ASN D 94 7.764 -10.579 33.511 1.00 0.00 H ATOM 1482 N GLY D 95 8.266 -11.722 36.560 1.00 37.91 N ATOM 1483 CA GLY D 95 8.857 -12.361 37.753 1.00 37.23 C ATOM 1484 C GLY D 95 9.395 -13.763 37.596 1.00 41.31 C ATOM 1485 O GLY D 95 9.683 -14.411 38.598 1.00 36.63 O ATOM 1486 H GLY D 95 8.871 -11.133 35.953 1.00 0.00 H ATOM 1487 N PHE D 96 9.568 -14.233 36.358 1.00 42.54 N ATOM 1488 CA PHE D 96 10.126 -15.581 36.088 1.00 48.92 C ATOM 1489 C PHE D 96 11.558 -15.815 36.661 1.00 46.20 C ATOM 1490 O PHE D 96 11.966 -16.956 36.872 1.00 53.47 O ATOM 1491 CB PHE D 96 10.085 -15.862 34.570 1.00 51.64 C ATOM 1492 CG PHE D 96 10.509 -17.264 34.172 1.00 55.11 C ATOM 1493 CD1 PHE D 96 9.600 -18.316 34.185 1.00 51.93 C ATOM 1494 CD2 PHE D 96 11.832 -17.519 33.768 1.00 58.24 C ATOM 1495 CE1 PHE D 96 9.995 -19.592 33.808 1.00 57.31 C ATOM 1496 CE2 PHE D 96 12.238 -18.797 33.409 1.00 59.30 C ATOM 1497 CZ PHE D 96 11.311 -19.836 33.422 1.00 59.82 C ATOM 1498 H PHE D 96 9.301 -13.631 35.553 1.00 0.00 H ATOM 1499 N TYR D 97 12.319 -14.748 36.894 1.00 42.90 N ATOM 1500 CA TYR D 97 13.679 -14.843 37.485 1.00 40.63 C ATOM 1501 C TYR D 97 13.788 -14.584 39.013 1.00 42.32 C ATOM 1502 O TYR D 97 14.888 -14.695 39.567 1.00 42.96 O ATOM 1503 CB TYR D 97 14.606 -13.915 36.722 1.00 36.72 C ATOM 1504 CG TYR D 97 14.708 -14.246 35.259 1.00 38.11 C ATOM 1505 CD1 TYR D 97 15.645 -15.164 34.784 1.00 40.35 C ATOM 1506 CD2 TYR D 97 13.854 -13.654 34.346 1.00 39.04 C ATOM 1507 CE1 TYR D 97 15.731 -15.449 33.429 1.00 41.19 C ATOM 1508 CE2 TYR D 97 13.920 -13.949 33.006 1.00 39.72 C ATOM 1509 CZ TYR D 97 14.870 -14.837 32.553 1.00 41.11 C ATOM 1510 OH TYR D 97 14.928 -15.083 31.224 1.00 38.01 O ATOM 1511 HH TYR D 97 15.651 -15.735 31.041 1.00 0.00 H ATOM 1512 H TYR D 97 11.946 -13.808 36.652 1.00 0.00 H ATOM 1513 N LEU D 98 12.648 -14.286 39.661 1.00 47.92 N ATOM 1514 CA LEU D 98 12.445 -14.130 41.139 1.00 55.89 C ATOM 1515 C LEU D 98 12.796 -12.728 41.646 1.00 53.14 C ATOM 1516 O LEU D 98 12.053 -11.770 41.378 1.00 47.25 O ATOM 1517 CB LEU D 98 13.097 -15.262 41.990 1.00 58.49 C ATOM 1518 CG LEU D 98 12.805 -15.295 43.511 1.00 62.47 C ATOM 1519 CD1 LEU D 98 12.320 -16.654 43.997 1.00 60.36 C ATOM 1520 CD2 LEU D 98 14.004 -14.863 44.346 1.00 64.73 C ATOM 1521 H LEU D 98 11.806 -14.147 39.066 1.00 0.00 H TER 1522 LEU D 98 HETATM 1523 ZN ZN A 1 8.928 -5.747 13.656 1.00 21.27 ZN HETATM 1524 ZN ZN A 2 11.783 -7.789 28.803 1.00 24.09 ZN HETATM 1525 O HOH 3 1.925 -2.881 0.474 1.00 21.51 O HETATM 1526 O HOH 4 2.134 6.984 23.160 1.00 25.50 O HETATM 1527 O HOH 5 0.943 -5.405 2.089 1.00 29.08 O HETATM 1528 O HOH 6 -9.377 -6.313 5.110 1.00 29.51 O HETATM 1529 O HOH 7 8.879 -8.915 5.084 1.00 17.46 O HETATM 1530 O HOH 8 -7.278 -3.920 9.939 1.00 40.30 O HETATM 1531 O HOH 9 4.969 7.812 25.965 1.00 24.05 O HETATM 1532 O HOH 10 3.622 11.228 16.635 1.00 15.09 O HETATM 1533 O HOH 11 14.745 11.912 14.919 1.00 26.03 O HETATM 1534 O HOH 12 5.322 13.777 18.220 1.00 29.07 O HETATM 1535 O HOH 13 10.602 11.829 9.555 1.00 29.27 O HETATM 1536 O HOH 14 5.634 10.217 7.458 1.00 21.69 O HETATM 1537 O HOH 15 15.378 7.472 12.429 1.00 26.13 O HETATM 1538 O HOH 16 -1.228 10.108 9.639 1.00 31.26 O HETATM 1539 O HOH 17 5.506 -2.335 3.221 1.00 38.10 O HETATM 1540 O HOH 18 -10.544 1.255 9.920 1.00 31.44 O HETATM 1541 O HOH 19 -3.497 -2.810 16.922 1.00 31.90 O HETATM 1542 O HOH 20 1.960 -6.913 18.002 1.00 39.89 O HETATM 1543 O HOH 21 -1.167 -15.267 16.541 1.00 33.96 O HETATM 1544 O HOH 22 18.415 -5.428 10.797 1.00 30.82 O HETATM 1545 O HOH 23 4.683 -0.163 0.619 1.00 34.15 O HETATM 1546 O HOH 24 3.472 -4.718 3.543 1.00 23.04 O HETATM 1547 O HOH 25 20.938 -10.795 17.387 1.00 42.48 O HETATM 1548 O HOH 26 15.227 7.785 15.036 1.00 38.71 O HETATM 1549 O HOH 27 10.352 4.642 7.019 1.00 20.59 O HETATM 1550 O HOH 28 -1.155 8.811 6.486 1.00 21.19 O HETATM 1551 O HOH 29 11.650 -4.678 20.428 1.00 24.01 O HETATM 1552 O HOH 30 -7.095 0.395 20.857 1.00 51.32 O HETATM 1553 O HOH 31 -2.225 15.398 16.877 1.00 27.09 O HETATM 1554 O HOH 32 18.606 -11.429 11.147 1.00 37.61 O HETATM 1555 O HOH 33 9.960 -6.697 20.788 1.00 41.07 O HETATM 1556 O HOH 34 0.275 -7.783 -2.213 1.00 38.31 O HETATM 1557 O HOH 35 16.526 9.718 8.567 1.00 38.14 O HETATM 1558 O HOH 36 16.719 5.226 12.033 1.00 28.23 O HETATM 1559 O HOH 37 -2.320 18.837 14.164 1.00 34.19 O HETATM 1560 O HOH 38 8.464 -20.380 12.753 1.00 42.85 O HETATM 1561 O HOH 39 1.965 18.920 12.354 1.00 31.25 O HETATM 1562 O HOH 40 12.092 4.169 5.032 1.00 25.97 O HETATM 1563 O HOH 41 -7.083 -0.645 18.679 1.00 42.32 O HETATM 1564 O HOH 42 -8.527 -2.608 12.350 1.00 31.12 O HETATM 1565 O HOH 43 6.819 -7.873 3.491 1.00 34.85 O HETATM 1566 O HOH 44 12.330 14.142 7.329 1.00 46.34 O HETATM 1567 O HOH 45 16.331 5.533 15.984 1.00 26.80 O HETATM 1568 O HOH 46 -10.272 -6.650 12.734 1.00 41.16 O HETATM 1569 O HOH 47 6.220 -5.652 -0.017 1.00 28.32 O HETATM 1570 O HOH 48 -5.709 -21.914 16.162 1.00 43.08 O HETATM 1571 O HOH 49 17.273 -18.684 12.210 1.00 64.77 O HETATM 1572 O HOH 50 28.365 -7.422 32.107 1.00 33.54 O HETATM 1573 O HOH 51 12.594 -12.925 21.068 1.00 35.89 O HETATM 1574 O HOH 52 14.715 -5.592 39.562 1.00 27.55 O HETATM 1575 O HOH 53 10.407 -2.430 21.553 1.00 28.86 O HETATM 1576 O HOH 54 29.966 -9.187 34.601 1.00 50.22 O HETATM 1577 O HOH 55 18.993 5.594 20.253 1.00 49.98 O HETATM 1578 O HOH 56 12.767 11.047 36.125 1.00 38.04 O HETATM 1579 O HOH 57 10.960 -13.024 28.117 1.00 25.23 O HETATM 1580 O HOH 58 19.998 -2.242 19.035 1.00 37.98 O HETATM 1581 O HOH 59 10.915 3.384 22.821 1.00 23.32 O HETATM 1582 O HOH 60 13.831 0.270 37.702 1.00 21.18 O HETATM 1583 O HOH 61 -0.640 -5.905 25.180 1.00 72.61 O HETATM 1584 O HOH 62 11.987 -11.680 36.801 1.00 26.17 O HETATM 1585 O HOH 63 17.609 -8.607 38.510 1.00 32.60 O HETATM 1586 O HOH 64 18.713 7.905 21.431 1.00 37.08 O HETATM 1587 O HOH 65 7.847 -13.232 20.965 1.00 37.21 O HETATM 1588 O HOH 66 27.196 6.465 23.880 1.00 41.15 O HETATM 1589 O HOH 67 19.731 -10.031 39.824 1.00 30.89 O HETATM 1590 O HOH 68 11.748 1.672 36.798 1.00 20.44 O HETATM 1591 O HOH 69 18.147 9.752 27.680 1.00 42.15 O HETATM 1592 O HOH 70 22.914 -13.471 29.863 1.00 38.08 O HETATM 1593 O HOH 71 16.284 -14.610 16.280 1.00 46.85 O HETATM 1594 O HOH 72 16.576 -10.971 37.243 1.00 49.84 O HETATM 1595 O HOH 73 31.662 -1.296 32.632 1.00 34.11 O HETATM 1596 O HOH 74 7.969 -6.572 22.558 1.00 26.94 O HETATM 1597 O HOH 75 18.774 -8.673 24.425 1.00 31.03 O HETATM 1598 O HOH 76 16.286 7.667 18.527 1.00 40.28 O HETATM 1599 O HOH 77 22.749 4.633 41.608 1.00 38.01 O HETATM 1600 O HOH 78 8.725 2.215 24.198 1.00 38.38 O HETATM 1601 O HOH 79 2.132 -6.745 32.058 1.00 49.74 O HETATM 1602 O HOH 80 -0.606 -10.445 30.422 1.00 43.78 O HETATM 1603 O HOH 81 21.024 6.006 18.489 1.00 48.05 O HETATM 1604 O HOH 82 5.544 5.511 27.674 1.00 28.25 O HETATM 1605 O HOH 83 25.433 8.010 22.814 1.00 36.16 O HETATM 1606 O HOH 84 3.456 -15.876 18.856 1.00 38.01 O HETATM 1607 O HOH 85 -1.197 -3.903 18.277 1.00 35.73 O HETATM 1608 O HOH 86 14.061 -10.825 38.175 1.00 26.32 O HETATM 1609 O HOH 87 -1.299 -8.137 16.464 1.00 39.40 O HETATM 1610 O HOH 88 2.493 2.431 30.169 1.00 40.94 O HETATM 1611 O HOH 89 23.021 15.875 28.558 1.00 43.63 O HETATM 1612 O HOH 90 17.903 -16.856 16.919 1.00 37.83 O HETATM 1613 O HOH 91 26.236 -8.339 17.652 1.00 45.00 O HETATM 1614 O HOH 92 23.384 15.961 34.963 1.00 32.60 O HETATM 1615 O HOH 93 16.463 -10.299 41.963 1.00 37.48 O HETATM 1616 O HOH 94 24.132 -11.383 25.161 1.00 42.32 O HETATM 1617 O HOH 95 10.736 -21.222 21.134 1.00 35.79 O HETATM 1618 OAN F A 2 3.607 -13.965 22.146 1.00 -0.48 O HETATM 1619 SCE F A 2 3.955 -12.487 22.294 1.00 -0.16 S HETATM 1620 OAH F A 2 5.312 -12.123 21.612 1.00 -0.48 O HETATM 1621 OAI F A 2 3.992 -12.377 23.807 1.00 -0.48 O HETATM 1622 CBW F A 2 2.660 -11.464 21.875 1.00 0.06 C HETATM 1623 CCA F A 2 2.605 -10.070 22.220 1.00 0.03 C HETATM 1624 CBY F A 2 1.402 -9.403 21.894 1.00 -0.01 C HETATM 1625 CBD F A 2 0.326 -10.114 21.266 1.00 -0.06 C HETATM 1626 CAR F A 2 0.411 -11.459 20.961 1.00 -0.06 C HETATM 1627 CAX F A 2 1.561 -12.133 21.274 1.00 -0.04 C HETATM 1628 H1 F A 2 1.634 -13.193 21.060 1.00 0.06 H HETATM 1629 H2 F A 2 -0.417 -11.971 20.483 1.00 0.06 H HETATM 1630 H3 F A 2 -0.584 -9.578 21.023 1.00 0.06 H HETATM 1631 CBU F A 2 1.292 -8.042 22.170 1.00 0.04 C HETATM 1632 SCC F A 2 -0.144 -7.209 21.813 1.00 -0.17 S HETATM 1633 OAL F A 2 -0.258 -7.112 20.258 1.00 -0.48 O HETATM 1634 OAE F A 2 -0.138 -5.843 22.487 1.00 -0.48 O HETATM 1635 OAD F A 2 -1.278 -8.020 22.438 1.00 -0.48 O HETATM 1636 CBB F A 2 2.303 -7.348 22.804 1.00 -0.06 C HETATM 1637 CAZ F A 2 3.491 -7.960 23.119 1.00 -0.04 C HETATM 1638 CBS F A 2 3.633 -9.312 22.868 1.00 0.08 C HETATM 1639 NBJ F A 2 4.809 -9.881 23.149 1.00 -0.23 N HETATM 1640 CBM F A 2 5.472 -9.789 24.337 1.00 0.23 C HETATM 1641 OAB F A 2 5.047 -9.229 25.362 1.00 -0.37 O HETATM 1642 CBQ F A 2 6.721 -10.450 24.343 1.00 0.04 C HETATM 1643 CBF F A 2 7.758 -10.053 23.464 1.00 -0.02 C HETATM 1644 CBO F A 2 8.997 -10.703 23.444 1.00 0.07 C HETATM 1645 CAT F A 2 9.217 -11.744 24.338 1.00 -0.04 C HETATM 1646 CAP F A 2 8.232 -12.158 25.228 1.00 -0.07 C HETATM 1647 CAV F A 2 6.968 -11.527 25.212 1.00 -0.06 C HETATM 1648 H8 F A 2 6.184 -11.876 25.874 1.00 0.05 H HETATM 1649 H9 F A 2 8.433 -12.960 25.930 1.00 0.06 H HETATM 1650 H10 F A 2 10.178 -12.245 24.342 1.00 0.05 H HETATM 1651 NBH F A 2 10.053 -10.355 22.680 1.00 -0.21 N HETATM 1652 CBL F A 2 10.076 -10.359 21.305 1.00 0.32 C HETATM 1653 OAA F A 2 9.099 -10.614 20.594 1.00 -0.38 O HETATM 1654 NBI F A 2 11.232 -9.945 20.782 1.00 -0.21 N HETATM 1655 CBP F A 2 11.571 -9.972 19.467 1.00 0.07 C HETATM 1656 CBG F A 2 12.898 -9.568 19.249 1.00 -0.02 C HETATM 1657 CBR F A 2 13.536 -9.584 17.998 1.00 0.04 C HETATM 1658 CAW F A 2 12.765 -10.040 16.928 1.00 -0.06 C HETATM 1659 CAQ F A 2 11.443 -10.477 17.109 1.00 -0.07 C HETATM 1660 CAU F A 2 10.840 -10.460 18.379 1.00 -0.04 C HETATM 1661 H14 F A 2 9.826 -10.819 18.513 1.00 0.05 H HETATM 1662 H15 F A 2 10.878 -10.833 16.255 1.00 0.06 H HETATM 1663 H16 F A 2 13.197 -10.057 15.934 1.00 0.05 H HETATM 1664 CBN F A 2 14.885 -9.125 17.909 1.00 0.23 C HETATM 1665 OAC F A 2 15.251 -8.331 17.033 1.00 -0.37 O HETATM 1666 NBK F A 2 15.722 -9.693 18.832 1.00 -0.23 N HETATM 1667 CBT F A 2 17.007 -9.379 19.126 1.00 0.08 C HETATM 1668 CCB F A 2 17.853 -10.346 19.752 1.00 0.03 C HETATM 1669 CBX F A 2 17.495 -11.688 19.983 1.00 0.06 C HETATM 1670 SCF F A 2 16.018 -12.381 19.494 1.00 -0.16 S HETATM 1671 OAO F A 2 15.961 -12.207 17.982 1.00 -0.48 O HETATM 1672 OAK F A 2 14.687 -11.775 20.157 1.00 -0.48 O HETATM 1673 OAJ F A 2 16.095 -13.898 19.636 1.00 -0.48 O HETATM 1674 CAY F A 2 18.391 -12.595 20.575 1.00 -0.04 C HETATM 1675 CAS F A 2 19.659 -12.206 20.958 1.00 -0.06 C HETATM 1676 CBE F A 2 20.027 -10.900 20.722 1.00 -0.06 C HETATM 1677 CBZ F A 2 19.156 -9.972 20.126 1.00 -0.01 C HETATM 1678 CBV F A 2 19.599 -8.665 19.930 1.00 0.04 C HETATM 1679 SCD F A 2 21.266 -8.123 20.306 1.00 -0.17 S HETATM 1680 OAM F A 2 22.149 -9.134 19.633 1.00 -0.48 O HETATM 1681 OAG F A 2 21.530 -8.070 21.821 1.00 -0.48 O HETATM 1682 OAF F A 2 21.536 -6.835 19.490 1.00 -0.48 O HETATM 1683 CBC F A 2 18.761 -7.744 19.336 1.00 -0.06 C HETATM 1684 CBA F A 2 17.472 -8.108 18.978 1.00 -0.04 C HETATM 1685 H22 F A 2 16.811 -7.354 18.566 1.00 0.04 H HETATM 1686 H21 F A 2 19.111 -6.735 19.149 1.00 0.06 H HETATM 1687 H20 F A 2 21.022 -10.577 21.006 1.00 0.06 H HETATM 1688 H19 F A 2 20.342 -12.905 21.428 1.00 0.06 H HETATM 1689 H18 F A 2 18.080 -13.621 20.734 1.00 0.06 H HETATM 1690 H17 F A 2 15.330 -10.444 19.363 1.00 0.23 H HETATM 1691 H13 F A 2 13.468 -9.221 20.103 1.00 0.06 H HETATM 1692 H12 F A 2 11.912 -9.581 21.418 1.00 0.23 H HETATM 1693 H11 F A 2 10.887 -10.071 23.152 1.00 0.23 H HETATM 1694 H7 F A 2 7.587 -9.223 22.788 1.00 0.06 H HETATM 1695 H6 F A 2 5.240 -10.421 22.426 1.00 0.23 H HETATM 1696 H5 F A 2 4.304 -7.393 23.557 1.00 0.04 H HETATM 1697 H4 F A 2 2.157 -6.304 23.057 1.00 0.06 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 404 403 1523 CONECT 431 430 1523 CONECT 599 597 598 1523 CONECT 670 669 1523 CONECT 762 763 771 772 773 CONECT 771 762 CONECT 772 762 CONECT 773 762 CONECT 1165 1164 1524 CONECT 1192 1191 1524 CONECT 1360 1358 1359 1524 CONECT 1431 1430 1524 CONECT 1523 404 431 599 670 CONECT 1524 1165 1192 1360 1431 CONECT 1618 1619 CONECT 1619 1618 1620 1621 1622 CONECT 1620 1619 CONECT 1621 1619 CONECT 1622 1619 1623 1627 CONECT 1623 1622 1624 1638 CONECT 1624 1623 1625 1631 CONECT 1625 1624 1626 1630 CONECT 1626 1625 1627 1629 CONECT 1627 1622 1626 1628 CONECT 1628 1627 CONECT 1629 1626 CONECT 1630 1625 CONECT 1631 1624 1632 1636 CONECT 1632 1631 1633 1634 1635 CONECT 1633 1632 CONECT 1634 1632 CONECT 1635 1632 CONECT 1636 1631 1637 1697 CONECT 1637 1636 1638 1696 CONECT 1638 1623 1637 1639 CONECT 1639 1638 1640 1695 CONECT 1640 1639 1641 1642 CONECT 1641 1640 CONECT 1642 1640 1643 1647 CONECT 1643 1642 1644 1694 CONECT 1644 1643 1645 1651 CONECT 1645 1644 1646 1650 CONECT 1646 1645 1647 1649 CONECT 1647 1642 1646 1648 CONECT 1648 1647 CONECT 1649 1646 CONECT 1650 1645 CONECT 1651 1644 1652 1693 CONECT 1652 1651 1653 1654 CONECT 1653 1652 CONECT 1654 1652 1655 1692 CONECT 1655 1654 1656 1660 CONECT 1656 1655 1657 1691 CONECT 1657 1656 1658 1664 CONECT 1658 1657 1659 1663 CONECT 1659 1658 1660 1662 CONECT 1660 1655 1659 1661 CONECT 1661 1660 CONECT 1662 1659 CONECT 1663 1658 CONECT 1664 1657 1665 1666 CONECT 1665 1664 CONECT 1666 1664 1667 1690 CONECT 1667 1666 1668 1684 CONECT 1668 1667 1669 1677 CONECT 1669 1668 1670 1674 CONECT 1670 1669 1671 1672 1673 CONECT 1671 1670 CONECT 1672 1670 CONECT 1673 1670 CONECT 1674 1669 1675 1689 CONECT 1675 1674 1676 1688 CONECT 1676 1675 1677 1687 CONECT 1677 1668 1676 1678 CONECT 1678 1677 1679 1683 CONECT 1679 1678 1680 1681 1682 CONECT 1680 1679 CONECT 1681 1679 CONECT 1682 1679 CONECT 1683 1678 1684 1686 CONECT 1684 1667 1683 1685 CONECT 1685 1684 CONECT 1686 1683 CONECT 1687 1676 CONECT 1688 1675 CONECT 1689 1674 CONECT 1690 1666 CONECT 1691 1656 CONECT 1692 1654 CONECT 1693 1651 CONECT 1694 1643 CONECT 1695 1639 CONECT 1696 1637 CONECT 1697 1636 MASTER 0 0 0 0 0 0 0 0 1695 2 98 12 END
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Structure:
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Protein
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Related entries of code: 6gjw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2pop
RCSB PDB
PDBbind
95aa, >2POP_2|Chains... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6gjw
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
XIAPBIR1
Ligand Name
F2H
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=11uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chemistryopen Vol. 8: pp. 476-482
Ligand Properties
Formula
C
3
5
H
3
4
N
4
O
1
5
S
4
Molecular Weight
878.922
Exact Mass
878.090
No. of atoms
92
No. of bonds
97
Polar Surface Area
443.29
LOGP Value
1.97 (
Computed with XLOGP3
)
10.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 6
Canonical SMILES
O=C(Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(ccc2)S(O)(O)O)S(O)(O)O)Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(ccc2)S(O)(O)O)S(O)(O)O
InChI String
InChI=1S/C35H34N4O15S4/c40-33(38-25-13-15-27(55(43,44)45)23-9-3-11-29(31(23)25)57(49,50)51)19-5-1-7-21(17-19)36-35(42)37-22-8-2-6-20(18-22)34(41)39-26-14-16-28(56(46,47)48)24-10-4-12-30(32(24)26)58(52,53)54/h1-18,43-54H,(H,38,40)(H,39,41)(H2,36,37,42)
Links to External Databases
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P98170
Entrez Gene ID
NCBI Entrez Gene ID:
331
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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