Browse entries in the PDBbind-CN Database
HEADER 5FB1_COMPLEX COMPND 5FB1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 SER ASP PRO CYS PRO GLU ASN SER ASN ILE CYS GLU VAL SEQRES 2 A 106 CYS ASN LYS TRP GLY ARG LEU PHE CYS CYS ASP THR CYS SEQRES 3 A 106 PRO ARG SER PHE HIS GLU HIS CYS HIS ILE PRO SER VAL SEQRES 4 A 106 GLU ALA ASN LYS ASN PRO TRP SER CYS ILE PHE CYS ARG SEQRES 5 A 106 ILE LYS THR ILE GLN GLU ARG CYS PRO GLU SER GLN SER SEQRES 6 A 106 GLY HIS GLN GLU SER GLU VAL LEU MET ARG GLN MET LEU SEQRES 7 A 106 PRO GLU GLU GLN LEU LYS CYS GLU PHE LEU LEU LEU LYS SEQRES 8 A 106 VAL TYR CYS ASP SER LYS SER CYS PHE PHE ALA SER GLU SEQRES 9 A 106 PRO TYR SEQRES 1 A 68 GLY PRO GLN LYS PRO MET TRP LEU ASN LYS VAL LYS THR SEQRES 2 A 68 SER LEU ASN GLU GLN THR TYR THR ARG VAL GLU GLY PHE SEQRES 3 A 68 VAL GLN ASP MET ARG LEU ILE PHE HIS ASN HIS LYS GLU SEQRES 4 A 68 PHE TYR ARG GLU ASP LYS PHE THR ARG LEU GLY ILE GLN SEQRES 5 A 68 VAL GLN ASP ILE PHE GLU LYS ASN PHE ARG ASN ILE PHE SEQRES 6 A 68 ALA ILE GLN HET ZN A 1 1 HET ZN A 2 1 HET ALA A 332 138 ATOM 1 N SER A 695 -14.894 6.706 -19.593 1.00 67.54 N ATOM 2 CA SER A 695 -14.819 7.466 -18.352 1.00 66.47 C ATOM 3 C SER A 695 -13.389 7.965 -18.165 1.00 65.76 C ATOM 4 O SER A 695 -12.516 7.663 -18.979 1.00 72.81 O ATOM 5 CB SER A 695 -15.269 6.604 -17.166 1.00 62.83 C ATOM 6 OG SER A 695 -15.549 7.393 -16.024 1.00 61.52 O ATOM 7 HG SER A 695 -15.836 6.805 -15.281 1.00 0.00 H ATOM 8 HN3 SER A 695 -14.242 5.897 -19.543 1.00 0.00 H ATOM 9 HN2 SER A 695 -14.627 7.319 -20.390 1.00 0.00 H ATOM 10 HN1 SER A 695 -15.866 6.362 -19.729 1.00 0.00 H ATOM 11 N ASP A 696 -13.145 8.745 -17.111 1.00 55.93 N ATOM 12 CA ASP A 696 -11.789 9.191 -16.822 1.00 42.26 C ATOM 13 C ASP A 696 -11.249 8.343 -15.685 1.00 38.91 C ATOM 14 O ASP A 696 -11.663 8.534 -14.532 1.00 36.56 O ATOM 15 CB ASP A 696 -11.752 10.677 -16.455 1.00 42.40 C ATOM 16 CG ASP A 696 -10.328 11.248 -16.423 1.00 41.30 C ATOM 17 OD1 ASP A 696 -9.401 10.526 -16.007 1.00 37.95 O ATOM 18 OD2 ASP A 696 -10.135 12.428 -16.803 1.00 40.99 O ATOM 19 H ASP A 696 -13.928 9.037 -16.492 1.00 0.00 H ATOM 20 N PRO A 697 -10.347 7.395 -15.956 1.00 36.18 N ATOM 21 CA PRO A 697 -9.758 6.594 -14.868 1.00 36.34 C ATOM 22 C PRO A 697 -8.975 7.409 -13.849 1.00 34.93 C ATOM 23 O PRO A 697 -8.903 7.022 -12.675 1.00 34.33 O ATOM 24 CB PRO A 697 -8.836 5.621 -15.615 1.00 41.19 C ATOM 25 CG PRO A 697 -9.332 5.607 -17.021 1.00 43.25 C ATOM 26 CD PRO A 697 -9.901 6.954 -17.287 1.00 37.09 C ATOM 27 N CYS A 698 -8.371 8.520 -14.255 1.00 29.20 N ATOM 28 CA CYS A 698 -7.511 9.317 -13.380 1.00 27.37 C ATOM 29 C CYS A 698 -8.021 10.749 -13.369 1.00 29.11 C ATOM 30 O CYS A 698 -7.356 11.661 -13.871 1.00 24.83 O ATOM 31 CB CYS A 698 -6.054 9.249 -13.839 1.00 23.78 C ATOM 32 SG CYS A 698 -5.381 7.554 -13.826 1.00 29.83 S ATOM 33 H CYS A 698 -8.515 8.836 -15.235 1.00 0.00 H ATOM 34 N PRO A 699 -9.200 10.979 -12.774 1.00 32.14 N ATOM 35 CA PRO A 699 -9.897 12.258 -12.976 1.00 24.49 C ATOM 36 C PRO A 699 -9.221 13.441 -12.323 1.00 34.28 C ATOM 37 O PRO A 699 -9.566 14.576 -12.665 1.00 34.29 O ATOM 38 CB PRO A 699 -11.282 12.014 -12.343 1.00 28.46 C ATOM 39 CG PRO A 699 -11.364 10.555 -12.080 1.00 32.78 C ATOM 40 CD PRO A 699 -9.971 10.058 -11.921 1.00 35.09 C ATOM 41 N GLU A 700 -8.296 13.228 -11.384 1.00 26.19 N ATOM 42 CA GLU A 700 -7.560 14.328 -10.778 1.00 21.99 C ATOM 43 C GLU A 700 -6.165 14.481 -11.364 1.00 23.37 C ATOM 44 O GLU A 700 -5.303 15.117 -10.751 1.00 23.22 O ATOM 45 CB GLU A 700 -7.481 14.158 -9.260 1.00 28.28 C ATOM 46 CG GLU A 700 -8.819 14.389 -8.544 1.00 30.90 C ATOM 47 CD GLU A 700 -9.781 13.224 -8.715 1.00 36.32 C ATOM 48 OE1 GLU A 700 -9.329 12.056 -8.662 1.00 38.18 O ATOM 49 OE2 GLU A 700 -10.991 13.474 -8.917 1.00 37.08 O ATOM 50 H GLU A 700 -8.097 12.254 -11.079 1.00 0.00 H ATOM 51 N ASN A 701 -5.928 13.946 -12.558 1.00 25.46 N ATOM 52 CA ASN A 701 -4.676 14.196 -13.250 1.00 20.07 C ATOM 53 C ASN A 701 -4.961 14.750 -14.631 1.00 22.02 C ATOM 54 O ASN A 701 -6.012 14.492 -15.221 1.00 22.02 O ATOM 55 CB ASN A 701 -3.807 12.926 -13.371 1.00 21.52 C ATOM 56 CG ASN A 701 -3.238 12.495 -12.042 1.00 22.97 C ATOM 57 OD1 ASN A 701 -3.924 11.863 -11.243 1.00 23.77 O ATOM 58 ND2 ASN A 701 -1.972 12.840 -11.792 1.00 18.74 N ATOM 59 HD22 ASN A 701 -1.430 13.376 -12.499 1.00 0.00 H ATOM 60 HD21 ASN A 701 -1.529 12.573 -10.890 1.00 0.00 H ATOM 61 H ASN A 701 -6.648 13.341 -13.002 1.00 0.00 H ATOM 62 N SER A 702 -3.985 15.490 -15.138 1.00 23.46 N ATOM 63 CA SER A 702 -4.093 16.171 -16.419 1.00 23.20 C ATOM 64 C SER A 702 -4.433 15.208 -17.553 1.00 22.69 C ATOM 65 O SER A 702 -3.989 14.055 -17.570 1.00 24.81 O ATOM 66 CB SER A 702 -2.761 16.879 -16.701 1.00 16.79 C ATOM 67 OG SER A 702 -2.779 17.520 -17.955 1.00 21.23 O ATOM 68 HG SER A 702 -2.937 16.849 -18.665 1.00 0.00 H ATOM 69 H SER A 702 -3.103 15.588 -14.596 1.00 0.00 H ATOM 70 N ASN A 703 -5.228 15.688 -18.512 1.00 20.64 N ATOM 71 CA ASN A 703 -5.509 14.936 -19.735 1.00 19.47 C ATOM 72 C ASN A 703 -4.437 15.120 -20.789 1.00 17.36 C ATOM 73 O ASN A 703 -4.552 14.551 -21.880 1.00 21.95 O ATOM 74 CB ASN A 703 -6.858 15.354 -20.330 1.00 18.29 C ATOM 75 CG ASN A 703 -8.028 14.702 -19.611 1.00 26.88 C ATOM 76 OD1 ASN A 703 -7.874 13.635 -19.017 1.00 29.28 O ATOM 77 ND2 ASN A 703 -9.199 15.340 -19.659 1.00 26.91 N ATOM 78 HD22 ASN A 703 -9.280 16.240 -20.174 1.00 0.00 H ATOM 79 HD21 ASN A 703 -10.031 14.937 -19.182 1.00 0.00 H ATOM 80 H ASN A 703 -5.661 16.625 -18.386 1.00 0.00 H ATOM 81 N ILE A 704 -3.397 15.873 -20.475 1.00 16.00 N ATOM 82 CA ILE A 704 -2.430 16.344 -21.449 1.00 23.60 C ATOM 83 C ILE A 704 -1.036 16.222 -20.840 1.00 22.99 C ATOM 84 O ILE A 704 -0.854 16.461 -19.643 1.00 19.94 O ATOM 85 CB ILE A 704 -2.814 17.787 -21.851 1.00 32.55 C ATOM 86 CG1 ILE A 704 -3.612 17.763 -23.162 1.00 32.61 C ATOM 87 CG2 ILE A 704 -1.644 18.731 -21.863 1.00 28.15 C ATOM 88 CD1 ILE A 704 -4.564 18.867 -23.254 1.00 39.88 C ATOM 89 H ILE A 704 -3.265 16.142 -19.479 1.00 0.00 H ATOM 90 N CYS A 705 -0.061 15.819 -21.659 1.00 19.80 N ATOM 91 CA CYS A 705 1.300 15.616 -21.180 1.00 21.93 C ATOM 92 C CYS A 705 1.916 16.942 -20.753 1.00 18.50 C ATOM 93 O CYS A 705 1.892 17.918 -21.501 1.00 17.80 O ATOM 94 CB CYS A 705 2.149 14.962 -22.274 1.00 18.75 C ATOM 95 SG CYS A 705 3.897 14.678 -21.874 1.00 18.07 S ATOM 96 H CYS A 705 -0.278 15.646 -22.661 1.00 0.00 H ATOM 97 N GLU A 706 2.455 16.971 -19.535 1.00 14.65 N ATOM 98 CA GLU A 706 3.125 18.157 -19.016 1.00 15.02 C ATOM 99 C GLU A 706 4.202 18.671 -19.965 1.00 16.61 C ATOM 100 O GLU A 706 4.347 19.881 -20.156 1.00 19.50 O ATOM 101 CB GLU A 706 3.753 17.822 -17.659 1.00 19.76 C ATOM 102 CG GLU A 706 4.274 19.017 -16.885 1.00 29.39 C ATOM 103 CD GLU A 706 3.153 19.847 -16.253 1.00 36.29 C ATOM 104 OE1 GLU A 706 3.466 20.904 -15.658 1.00 35.69 O ATOM 105 OE2 GLU A 706 1.966 19.431 -16.343 1.00 33.95 O ATOM 106 H GLU A 706 2.396 16.122 -18.937 1.00 0.00 H ATOM 107 N VAL A 707 4.964 17.766 -20.571 1.00 17.96 N ATOM 108 CA VAL A 707 6.127 18.161 -21.357 1.00 19.25 C ATOM 109 C VAL A 707 5.719 18.686 -22.728 1.00 22.01 C ATOM 110 O VAL A 707 6.123 19.782 -23.130 1.00 21.92 O ATOM 111 CB VAL A 707 7.103 16.978 -21.481 1.00 18.03 C ATOM 112 CG1 VAL A 707 8.353 17.415 -22.250 1.00 20.02 C ATOM 113 CG2 VAL A 707 7.481 16.475 -20.086 1.00 14.13 C ATOM 114 H VAL A 707 4.726 16.757 -20.483 1.00 0.00 H ATOM 115 N CYS A 708 4.920 17.915 -23.470 1.00 17.30 N ATOM 116 CA CYS A 708 4.634 18.215 -24.870 1.00 19.11 C ATOM 117 C CYS A 708 3.236 18.769 -25.091 1.00 20.05 C ATOM 118 O CYS A 708 2.892 19.115 -26.226 1.00 21.92 O ATOM 119 CB CYS A 708 4.831 16.952 -25.732 1.00 17.95 C ATOM 120 SG CYS A 708 3.566 15.666 -25.544 1.00 21.72 S ATOM 121 H CYS A 708 4.488 17.074 -23.037 1.00 0.00 H ATOM 122 N ASN A 709 2.412 18.843 -24.044 1.00 18.65 N ATOM 123 CA ASN A 709 1.060 19.402 -24.129 1.00 22.08 C ATOM 124 C ASN A 709 0.162 18.636 -25.095 1.00 25.91 C ATOM 125 O ASN A 709 -0.786 19.191 -25.653 1.00 28.64 O ATOM 126 CB ASN A 709 1.109 20.891 -24.501 1.00 20.11 C ATOM 127 CG ASN A 709 1.649 21.740 -23.373 1.00 20.31 C ATOM 128 OD1 ASN A 709 1.120 21.716 -22.265 1.00 23.86 O ATOM 129 ND2 ASN A 709 2.709 22.476 -23.639 1.00 21.15 N ATOM 130 HD22 ASN A 709 3.124 22.465 -24.593 1.00 0.00 H ATOM 131 HD21 ASN A 709 3.131 23.068 -22.895 1.00 0.00 H ATOM 132 H ASN A 709 2.745 18.487 -23.125 1.00 0.00 H ATOM 133 N LYS A 710 0.416 17.351 -25.298 1.00 26.28 N ATOM 134 CA LYS A 710 -0.429 16.555 -26.169 1.00 24.15 C ATOM 135 C LYS A 710 -1.090 15.436 -25.380 1.00 24.86 C ATOM 136 O LYS A 710 -0.669 15.089 -24.269 1.00 21.88 O ATOM 137 CB LYS A 710 0.370 15.980 -27.357 1.00 23.82 C ATOM 138 CG LYS A 710 0.557 16.999 -28.476 1.00 33.81 C ATOM 139 CD LYS A 710 1.996 17.135 -28.909 1.00 47.70 C ATOM 140 CE LYS A 710 2.418 15.966 -29.760 1.00 55.98 C ATOM 141 NZ LYS A 710 3.587 16.340 -30.600 1.00 62.37 N ATOM 142 HZ1 LYS A 710 3.328 17.136 -31.217 1.00 0.00 H ATOM 143 HZ2 LYS A 710 4.379 16.619 -29.986 1.00 0.00 H ATOM 144 HZ3 LYS A 710 3.869 15.526 -31.182 1.00 0.00 H ATOM 145 H LYS A 710 1.231 16.908 -24.827 1.00 0.00 H ATOM 146 N TRP A 711 -2.140 14.885 -25.987 1.00 26.08 N ATOM 147 CA TRP A 711 -2.924 13.782 -25.462 1.00 24.61 C ATOM 148 C TRP A 711 -2.227 12.457 -25.748 1.00 23.54 C ATOM 149 O TRP A 711 -1.183 12.404 -26.399 1.00 24.86 O ATOM 150 CB TRP A 711 -4.318 13.776 -26.088 1.00 29.91 C ATOM 151 CG TRP A 711 -5.091 15.041 -25.870 1.00 31.61 C ATOM 152 CD1 TRP A 711 -6.057 15.260 -24.931 1.00 25.98 C ATOM 153 CD2 TRP A 711 -4.956 16.261 -26.602 1.00 29.40 C ATOM 154 NE1 TRP A 711 -6.537 16.546 -25.038 1.00 27.35 N ATOM 155 CE2 TRP A 711 -5.877 17.182 -26.055 1.00 34.10 C ATOM 156 CE3 TRP A 711 -4.159 16.662 -27.678 1.00 24.81 C ATOM 157 CZ2 TRP A 711 -6.013 18.486 -26.544 1.00 31.76 C ATOM 158 CZ3 TRP A 711 -4.289 17.965 -28.153 1.00 34.56 C ATOM 159 CH2 TRP A 711 -5.212 18.855 -27.588 1.00 30.19 C ATOM 160 HE1 TRP A 711 -7.280 16.966 -24.443 1.00 0.00 H ATOM 161 H TRP A 711 -2.420 15.276 -26.909 1.00 0.00 H ATOM 162 N GLY A 712 -2.834 11.370 -25.273 1.00 23.85 N ATOM 163 CA GLY A 712 -2.410 10.035 -25.645 1.00 26.62 C ATOM 164 C GLY A 712 -2.364 9.066 -24.482 1.00 26.61 C ATOM 165 O GLY A 712 -3.184 9.148 -23.562 1.00 25.40 O ATOM 166 H GLY A 712 -3.634 11.483 -24.618 1.00 0.00 H ATOM 167 N ARG A 713 -1.397 8.145 -24.519 1.00 21.01 N ATOM 168 CA ARG A 713 -1.154 7.193 -23.438 1.00 23.20 C ATOM 169 C ARG A 713 -0.319 7.890 -22.369 1.00 20.85 C ATOM 170 O ARG A 713 0.875 8.145 -22.570 1.00 22.10 O ATOM 171 CB ARG A 713 -0.433 5.954 -23.975 1.00 22.44 C ATOM 172 CG ARG A 713 -0.307 4.798 -22.987 1.00 28.70 C ATOM 173 CD ARG A 713 0.389 3.577 -23.624 1.00 32.89 C ATOM 174 NE ARG A 713 1.754 3.865 -24.090 1.00 32.25 N ATOM 175 CZ ARG A 713 2.855 3.679 -23.362 1.00 34.10 C ATOM 176 NH1 ARG A 713 2.770 3.210 -22.121 1.00 34.82 N ATOM 177 NH2 ARG A 713 4.044 3.955 -23.875 1.00 31.58 N ATOM 178 HE ARG A 713 1.868 4.239 -25.054 1.00 0.00 H ATOM 179 HH12 ARG A 713 3.633 3.067 -21.559 1.00 0.00 H ATOM 180 HH11 ARG A 713 1.840 2.986 -21.712 1.00 0.00 H ATOM 181 HH22 ARG A 713 4.902 3.809 -23.306 1.00 0.00 H ATOM 182 HH21 ARG A 713 4.120 4.317 -24.847 1.00 0.00 H ATOM 183 H ARG A 713 -0.786 8.104 -25.360 1.00 0.00 H ATOM 184 N LEU A 714 -0.936 8.187 -21.232 1.00 17.93 N ATOM 185 CA LEU A 714 -0.324 9.010 -20.202 1.00 21.85 C ATOM 186 C LEU A 714 -0.188 8.225 -18.915 1.00 20.07 C ATOM 187 O LEU A 714 -0.980 7.330 -18.630 1.00 21.74 O ATOM 188 CB LEU A 714 -1.149 10.262 -19.918 1.00 18.03 C ATOM 189 CG LEU A 714 -1.420 11.168 -21.108 1.00 22.04 C ATOM 190 CD1 LEU A 714 -2.368 12.282 -20.691 1.00 21.61 C ATOM 191 CD2 LEU A 714 -0.114 11.732 -21.620 1.00 21.45 C ATOM 192 H LEU A 714 -1.894 7.817 -21.072 1.00 0.00 H ATOM 193 N PHE A 715 0.833 8.570 -18.148 1.00 17.27 N ATOM 194 CA PHE A 715 1.018 8.078 -16.794 1.00 18.56 C ATOM 195 C PHE A 715 0.747 9.229 -15.839 1.00 21.23 C ATOM 196 O PHE A 715 1.131 10.367 -16.116 1.00 22.77 O ATOM 197 CB PHE A 715 2.433 7.539 -16.596 1.00 20.86 C ATOM 198 CG PHE A 715 2.663 6.226 -17.257 1.00 20.18 C ATOM 199 CD1 PHE A 715 2.269 5.051 -16.633 1.00 19.29 C ATOM 200 CD2 PHE A 715 3.226 6.157 -18.510 1.00 26.93 C ATOM 201 CE1 PHE A 715 2.466 3.832 -17.235 1.00 24.90 C ATOM 202 CE2 PHE A 715 3.416 4.921 -19.129 1.00 32.27 C ATOM 203 CZ PHE A 715 3.048 3.766 -18.486 1.00 31.14 C ATOM 204 H PHE A 715 1.540 9.228 -18.535 1.00 0.00 H ATOM 205 N CYS A 716 0.106 8.932 -14.709 1.00 22.27 N ATOM 206 CA CYS A 716 -0.499 9.953 -13.864 1.00 21.08 C ATOM 207 C CYS A 716 0.147 9.943 -12.485 1.00 23.06 C ATOM 208 O CYS A 716 0.035 8.957 -11.752 1.00 22.96 O ATOM 209 CB CYS A 716 -2.008 9.726 -13.773 1.00 18.25 C ATOM 210 SG CYS A 716 -2.770 9.794 -15.406 1.00 27.92 S ATOM 211 H CYS A 716 0.035 7.935 -14.420 1.00 0.00 H ATOM 212 N CYS A 717 0.811 11.048 -12.136 1.00 20.48 N ATOM 213 CA CYS A 717 1.517 11.153 -10.863 1.00 16.79 C ATOM 214 C CYS A 717 0.572 10.950 -9.680 1.00 21.80 C ATOM 215 O CYS A 717 -0.560 11.437 -9.676 1.00 22.15 O ATOM 216 CB CYS A 717 2.193 12.518 -10.755 1.00 14.96 C ATOM 217 SG CYS A 717 3.236 12.702 -9.294 1.00 21.72 S ATOM 218 H CYS A 717 0.825 11.857 -12.790 1.00 0.00 H ATOM 219 N ASP A 718 1.056 10.237 -8.658 1.00 20.41 N ATOM 220 CA ASP A 718 0.266 9.986 -7.461 1.00 22.54 C ATOM 221 C ASP A 718 0.380 11.092 -6.421 1.00 25.08 C ATOM 222 O ASP A 718 -0.373 11.077 -5.445 1.00 24.61 O ATOM 223 CB ASP A 718 0.669 8.639 -6.826 1.00 21.60 C ATOM 224 CG ASP A 718 0.222 7.451 -7.658 1.00 26.73 C ATOM 225 OD1 ASP A 718 -0.940 7.454 -8.104 1.00 28.91 O ATOM 226 OD2 ASP A 718 1.024 6.523 -7.899 1.00 27.38 O ATOM 227 H ASP A 718 2.020 9.852 -8.719 1.00 0.00 H ATOM 228 N THR A 719 1.284 12.055 -6.597 1.00 22.53 N ATOM 229 CA THR A 719 1.459 13.112 -5.617 1.00 22.23 C ATOM 230 C THR A 719 1.218 14.507 -6.181 1.00 21.38 C ATOM 231 O THR A 719 1.340 15.479 -5.434 1.00 22.57 O ATOM 232 CB THR A 719 2.860 13.026 -4.989 1.00 20.64 C ATOM 233 OG1 THR A 719 3.831 12.847 -6.022 1.00 30.22 O ATOM 234 CG2 THR A 719 2.945 11.808 -4.022 1.00 19.84 C ATOM 235 HG1 THR A 719 4.734 12.791 -5.619 1.00 0.00 H ATOM 236 H THR A 719 1.875 12.049 -7.452 1.00 0.00 H ATOM 237 N CYS A 720 0.869 14.634 -7.461 1.00 22.75 N ATOM 238 CA CYS A 720 0.440 15.903 -8.044 1.00 16.72 C ATOM 239 C CYS A 720 -0.413 15.586 -9.270 1.00 22.14 C ATOM 240 O CYS A 720 -0.454 14.439 -9.724 1.00 23.56 O ATOM 241 CB CYS A 720 1.643 16.796 -8.405 1.00 17.49 C ATOM 242 SG CYS A 720 2.440 16.380 -9.981 1.00 20.24 S ATOM 243 H CYS A 720 0.904 13.793 -8.072 1.00 0.00 H ATOM 244 N PRO A 721 -1.147 16.574 -9.805 1.00 22.45 N ATOM 245 CA PRO A 721 -2.067 16.296 -10.917 1.00 20.58 C ATOM 246 C PRO A 721 -1.413 16.187 -12.287 1.00 16.79 C ATOM 247 O PRO A 721 -2.129 16.145 -13.290 1.00 19.43 O ATOM 248 CB PRO A 721 -3.035 17.502 -10.881 1.00 22.23 C ATOM 249 CG PRO A 721 -2.723 18.249 -9.629 1.00 23.45 C ATOM 250 CD PRO A 721 -1.301 17.959 -9.323 1.00 24.91 C ATOM 251 N ARG A 722 -0.093 16.106 -12.387 1.00 22.80 N ATOM 252 CA ARG A 722 0.548 16.084 -13.694 1.00 21.60 C ATOM 253 C ARG A 722 0.469 14.702 -14.344 1.00 21.00 C ATOM 254 O ARG A 722 0.389 13.674 -13.665 1.00 23.08 O ATOM 255 CB ARG A 722 2.006 16.504 -13.571 1.00 20.21 C ATOM 256 CG ARG A 722 2.213 17.948 -13.160 1.00 18.28 C ATOM 257 CD ARG A 722 3.708 18.199 -13.040 1.00 13.79 C ATOM 258 NE ARG A 722 4.068 19.590 -12.757 1.00 22.19 N ATOM 259 CZ ARG A 722 4.164 20.082 -11.529 1.00 21.17 C ATOM 260 NH1 ARG A 722 3.906 19.301 -10.493 1.00 20.73 N ATOM 261 NH2 ARG A 722 4.526 21.339 -11.335 1.00 24.02 N ATOM 262 HE ARG A 722 4.258 20.224 -13.559 1.00 0.00 H ATOM 263 HH12 ARG A 722 3.979 19.678 -9.527 1.00 0.00 H ATOM 264 HH11 ARG A 722 3.630 18.310 -10.645 1.00 0.00 H ATOM 265 HH22 ARG A 722 4.599 21.716 -10.368 1.00 0.00 H ATOM 266 HH21 ARG A 722 4.738 21.951 -12.149 1.00 0.00 H ATOM 267 H ARG A 722 0.488 16.058 -11.526 1.00 0.00 H ATOM 268 N SER A 723 0.512 14.691 -15.680 1.00 17.55 N ATOM 269 CA SER A 723 0.509 13.472 -16.480 1.00 21.86 C ATOM 270 C SER A 723 1.612 13.561 -17.525 1.00 18.91 C ATOM 271 O SER A 723 1.977 14.654 -17.953 1.00 19.93 O ATOM 272 CB SER A 723 -0.838 13.267 -17.183 1.00 18.73 C ATOM 273 OG SER A 723 -1.887 13.122 -16.247 1.00 17.25 O ATOM 274 HG SER A 723 -2.742 12.992 -16.729 1.00 0.00 H ATOM 275 H SER A 723 0.550 15.604 -16.177 1.00 0.00 H ATOM 276 N PHE A 724 2.123 12.403 -17.954 1.00 15.63 N ATOM 277 CA PHE A 724 3.269 12.343 -18.856 1.00 15.71 C ATOM 278 C PHE A 724 3.151 11.161 -19.806 1.00 22.35 C ATOM 279 O PHE A 724 2.785 10.060 -19.382 1.00 19.13 O ATOM 280 CB PHE A 724 4.599 12.169 -18.099 1.00 18.97 C ATOM 281 CG PHE A 724 4.879 13.234 -17.081 1.00 20.74 C ATOM 282 CD1 PHE A 724 4.307 13.170 -15.813 1.00 16.47 C ATOM 283 CD2 PHE A 724 5.749 14.270 -17.374 1.00 15.75 C ATOM 284 CE1 PHE A 724 4.566 14.148 -14.869 1.00 15.67 C ATOM 285 CE2 PHE A 724 6.019 15.251 -16.426 1.00 22.01 C ATOM 286 CZ PHE A 724 5.427 15.188 -15.171 1.00 14.87 C ATOM 287 H PHE A 724 1.689 11.514 -17.634 1.00 0.00 H ATOM 288 N HIS A 725 3.526 11.373 -21.070 1.00 18.98 N ATOM 289 CA HIS A 725 3.865 10.234 -21.919 1.00 20.18 C ATOM 290 C HIS A 725 5.036 9.483 -21.307 1.00 22.36 C ATOM 291 O HIS A 725 5.854 10.057 -20.591 1.00 21.14 O ATOM 292 CB HIS A 725 4.244 10.675 -23.331 1.00 15.90 C ATOM 293 CG HIS A 725 3.107 11.276 -24.097 1.00 23.04 C ATOM 294 ND1 HIS A 725 3.069 12.608 -24.447 1.00 21.65 N ATOM 295 CD2 HIS A 725 1.962 10.727 -24.571 1.00 19.52 C ATOM 296 CE1 HIS A 725 1.952 12.852 -25.111 1.00 25.42 C ATOM 297 NE2 HIS A 725 1.264 11.728 -25.201 1.00 20.58 N ATOM 298 H HIS A 725 3.576 12.341 -21.447 1.00 0.00 H ATOM 299 N GLU A 726 5.132 8.191 -21.623 1.00 18.94 N ATOM 300 CA GLU A 726 6.149 7.362 -20.986 1.00 22.38 C ATOM 301 C GLU A 726 7.547 7.903 -21.242 1.00 18.21 C ATOM 302 O GLU A 726 8.363 8.000 -20.319 1.00 21.87 O ATOM 303 CB GLU A 726 6.046 5.921 -21.471 1.00 27.12 C ATOM 304 CG GLU A 726 7.232 5.092 -21.020 1.00 26.74 C ATOM 305 CD GLU A 726 7.160 3.657 -21.496 1.00 35.71 C ATOM 306 OE1 GLU A 726 6.073 3.208 -21.924 1.00 39.46 O ATOM 307 OE2 GLU A 726 8.205 2.985 -21.434 1.00 40.82 O ATOM 308 H GLU A 726 4.483 7.776 -22.322 1.00 0.00 H ATOM 309 N HIS A 727 7.841 8.279 -22.481 1.00 26.26 N ATOM 310 CA HIS A 727 9.164 8.772 -22.832 1.00 30.96 C ATOM 311 C HIS A 727 9.229 10.291 -22.910 1.00 28.18 C ATOM 312 O HIS A 727 10.242 10.838 -23.359 1.00 30.00 O ATOM 313 CB HIS A 727 9.614 8.129 -24.142 1.00 29.93 C ATOM 314 CG HIS A 727 9.698 6.635 -24.051 1.00 34.80 C ATOM 315 ND1 HIS A 727 8.666 5.804 -24.433 1.00 35.55 N ATOM 316 CD2 HIS A 727 10.668 5.827 -23.561 1.00 33.77 C ATOM 317 CE1 HIS A 727 9.009 4.548 -24.213 1.00 36.48 C ATOM 318 NE2 HIS A 727 10.218 4.534 -23.682 1.00 38.60 N ATOM 319 H HIS A 727 7.109 8.220 -23.217 1.00 0.00 H ATOM 320 N CYS A 728 8.185 10.992 -22.470 1.00 19.94 N ATOM 321 CA CYS A 728 8.368 12.423 -22.231 1.00 18.87 C ATOM 322 C CYS A 728 8.931 12.681 -20.843 1.00 22.99 C ATOM 323 O CYS A 728 9.769 13.571 -20.663 1.00 19.76 O ATOM 324 CB CYS A 728 7.052 13.169 -22.419 1.00 16.57 C ATOM 325 SG CYS A 728 6.633 13.456 -24.151 1.00 23.48 S ATOM 326 H CYS A 728 7.266 10.535 -22.301 1.00 0.00 H ATOM 327 N HIS A 729 8.505 11.898 -19.860 1.00 17.86 N ATOM 328 CA HIS A 729 9.090 11.998 -18.535 1.00 19.75 C ATOM 329 C HIS A 729 10.556 11.564 -18.546 1.00 22.65 C ATOM 330 O HIS A 729 10.979 10.707 -19.331 1.00 20.91 O ATOM 331 CB HIS A 729 8.307 11.140 -17.544 1.00 18.86 C ATOM 332 CG HIS A 729 8.647 11.422 -16.113 1.00 19.16 C ATOM 333 ND1 HIS A 729 9.649 10.759 -15.443 1.00 20.36 N ATOM 334 CD2 HIS A 729 8.146 12.326 -15.240 1.00 19.49 C ATOM 335 CE1 HIS A 729 9.730 11.219 -14.207 1.00 20.22 C ATOM 336 NE2 HIS A 729 8.831 12.174 -14.060 1.00 22.24 N ATOM 337 H HIS A 729 7.747 11.209 -20.040 1.00 0.00 H ATOM 338 N ILE A 730 11.333 12.155 -17.649 1.00 20.91 N ATOM 339 CA ILE A 730 12.742 11.795 -17.497 1.00 22.54 C ATOM 340 C ILE A 730 13.022 11.582 -16.012 1.00 22.28 C ATOM 341 O ILE A 730 12.736 12.453 -15.204 1.00 29.44 O ATOM 342 CB ILE A 730 13.685 12.866 -18.086 1.00 23.65 C ATOM 343 CG1 ILE A 730 13.330 13.186 -19.543 1.00 18.73 C ATOM 344 CG2 ILE A 730 15.144 12.409 -17.991 1.00 18.40 C ATOM 345 CD1 ILE A 730 14.288 14.220 -20.186 1.00 17.34 C ATOM 346 H ILE A 730 10.930 12.894 -17.038 1.00 0.00 H ATOM 347 N PRO A 731 13.519 10.401 -15.630 1.00 27.02 N ATOM 348 CA PRO A 731 13.715 9.184 -16.426 1.00 26.76 C ATOM 349 C PRO A 731 12.384 8.657 -16.949 1.00 26.92 C ATOM 350 O PRO A 731 11.352 9.126 -16.477 1.00 22.99 O ATOM 351 CB PRO A 731 14.308 8.190 -15.425 1.00 32.98 C ATOM 352 CG PRO A 731 14.543 8.967 -14.157 1.00 30.99 C ATOM 353 CD PRO A 731 13.685 10.153 -14.191 1.00 30.49 C ATOM 354 N SER A 732 12.424 7.726 -17.904 1.00 27.89 N ATOM 355 CA SER A 732 11.240 7.005 -18.361 1.00 34.33 C ATOM 356 C SER A 732 10.375 6.574 -17.184 1.00 28.56 C ATOM 357 O SER A 732 10.883 6.195 -16.126 1.00 26.39 O ATOM 358 CB SER A 732 11.659 5.765 -19.162 1.00 47.87 C ATOM 359 OG SER A 732 12.045 6.088 -20.483 1.00 56.99 O ATOM 360 HG SER A 732 12.306 5.261 -20.961 1.00 0.00 H ATOM 361 H SER A 732 13.340 7.504 -18.343 1.00 0.00 H ATOM 362 N VAL A 733 9.055 6.641 -17.368 1.00 26.99 N ATOM 363 CA VAL A 733 8.161 6.200 -16.304 1.00 23.94 C ATOM 364 C VAL A 733 8.358 4.711 -16.072 1.00 31.47 C ATOM 365 O VAL A 733 8.412 3.923 -17.024 1.00 35.84 O ATOM 366 CB VAL A 733 6.700 6.508 -16.652 1.00 22.53 C ATOM 367 CG1 VAL A 733 5.799 6.047 -15.512 1.00 22.48 C ATOM 368 CG2 VAL A 733 6.513 7.990 -16.924 1.00 21.84 C ATOM 369 H VAL A 733 8.668 7.004 -18.262 1.00 0.00 H ATOM 370 N GLU A 734 8.480 4.321 -14.802 1.00 33.59 N ATOM 371 CA GLU A 734 8.487 2.912 -14.410 1.00 35.32 C ATOM 372 C GLU A 734 7.041 2.441 -14.290 1.00 31.09 C ATOM 373 O GLU A 734 6.367 2.720 -13.298 1.00 29.54 O ATOM 374 CB GLU A 734 9.231 2.727 -13.095 1.00 40.41 C ATOM 375 CG GLU A 734 10.057 3.931 -12.693 1.00 55.69 C ATOM 376 CD GLU A 734 10.984 3.636 -11.530 1.00 66.48 C ATOM 377 OE1 GLU A 734 11.249 2.438 -11.258 1.00 69.54 O ATOM 378 OE2 GLU A 734 11.443 4.606 -10.889 1.00 65.15 O ATOM 379 H GLU A 734 8.574 5.046 -14.063 1.00 0.00 H ATOM 380 N ALA A 735 6.569 1.698 -15.294 1.00 26.77 N ATOM 381 CA ALA A 735 5.154 1.345 -15.361 1.00 29.63 C ATOM 382 C ALA A 735 4.655 0.662 -14.092 1.00 28.83 C ATOM 383 O ALA A 735 3.498 0.846 -13.704 1.00 23.57 O ATOM 384 CB ALA A 735 4.901 0.445 -16.572 1.00 32.51 C ATOM 385 H ALA A 735 7.217 1.367 -16.037 1.00 0.00 H ATOM 386 N ASN A 736 5.505 -0.114 -13.424 1.00 20.39 N ATOM 387 CA ASN A 736 5.078 -0.932 -12.300 1.00 24.59 C ATOM 388 C ASN A 736 5.408 -0.327 -10.940 1.00 29.59 C ATOM 389 O ASN A 736 5.204 -0.985 -9.921 1.00 33.97 O ATOM 390 CB ASN A 736 5.693 -2.332 -12.416 1.00 27.32 C ATOM 391 CG ASN A 736 5.084 -3.129 -13.548 1.00 31.47 C ATOM 392 OD1 ASN A 736 3.975 -2.835 -13.995 1.00 25.94 O ATOM 393 ND2 ASN A 736 5.802 -4.132 -14.025 1.00 31.60 N ATOM 394 HD22 ASN A 736 6.734 -4.344 -13.616 1.00 0.00 H ATOM 395 HD21 ASN A 736 5.434 -4.708 -14.809 1.00 0.00 H ATOM 396 H ASN A 736 6.503 -0.136 -13.714 1.00 0.00 H ATOM 397 N LYS A 737 5.916 0.898 -10.885 1.00 34.02 N ATOM 398 CA LYS A 737 6.165 1.516 -9.589 1.00 31.93 C ATOM 399 C LYS A 737 4.863 2.085 -9.047 1.00 28.62 C ATOM 400 O LYS A 737 4.236 2.918 -9.702 1.00 23.14 O ATOM 401 CB LYS A 737 7.215 2.618 -9.694 1.00 35.05 C ATOM 402 CG LYS A 737 7.676 3.076 -8.332 1.00 37.13 C ATOM 403 CD LYS A 737 8.945 3.896 -8.406 1.00 42.27 C ATOM 404 CE LYS A 737 9.502 4.098 -7.016 1.00 47.98 C ATOM 405 NZ LYS A 737 8.401 4.399 -6.059 1.00 53.82 N ATOM 406 HZ1 LYS A 737 7.910 5.265 -6.359 1.00 0.00 H ATOM 407 HZ2 LYS A 737 7.729 3.605 -6.045 1.00 0.00 H ATOM 408 HZ3 LYS A 737 8.798 4.536 -5.108 1.00 0.00 H ATOM 409 H LYS A 737 6.135 1.414 -11.761 1.00 0.00 H ATOM 410 N ASN A 738 4.454 1.634 -7.863 1.00 32.63 N ATOM 411 CA ASN A 738 3.267 2.152 -7.190 1.00 38.45 C ATOM 412 C ASN A 738 3.571 2.314 -5.707 1.00 45.82 C ATOM 413 O ASN A 738 4.001 1.365 -5.062 1.00 52.87 O ATOM 414 CB ASN A 738 2.052 1.229 -7.375 1.00 42.89 C ATOM 415 CG ASN A 738 1.625 1.093 -8.833 1.00 50.01 C ATOM 416 OD1 ASN A 738 0.996 1.993 -9.409 1.00 38.85 O ATOM 417 ND2 ASN A 738 1.945 -0.052 -9.432 1.00 54.25 N ATOM 418 HD22 ASN A 738 2.474 -0.781 -8.912 1.00 0.00 H ATOM 419 HD21 ASN A 738 1.666 -0.218 -10.420 1.00 0.00 H ATOM 420 H ASN A 738 5.003 0.882 -7.399 1.00 0.00 H ATOM 421 N PRO A 739 3.370 3.524 -5.161 1.00 43.46 N ATOM 422 CA PRO A 739 2.976 4.732 -5.886 1.00 34.90 C ATOM 423 C PRO A 739 4.134 5.300 -6.697 1.00 29.17 C ATOM 424 O PRO A 739 5.279 4.947 -6.461 1.00 32.02 O ATOM 425 CB PRO A 739 2.574 5.692 -4.765 1.00 36.36 C ATOM 426 CG PRO A 739 3.418 5.269 -3.618 1.00 37.98 C ATOM 427 CD PRO A 739 3.488 3.774 -3.714 1.00 41.61 C ATOM 428 N TRP A 740 3.830 6.161 -7.658 1.00 23.79 N ATOM 429 CA TRP A 740 4.836 6.782 -8.501 1.00 26.26 C ATOM 430 C TRP A 740 4.719 8.292 -8.359 1.00 25.33 C ATOM 431 O TRP A 740 3.616 8.843 -8.473 1.00 20.82 O ATOM 432 CB TRP A 740 4.668 6.339 -9.964 1.00 23.76 C ATOM 433 CG TRP A 740 5.592 7.046 -10.904 1.00 22.52 C ATOM 434 CD1 TRP A 740 6.939 6.858 -11.028 1.00 25.31 C ATOM 435 CD2 TRP A 740 5.240 8.068 -11.845 1.00 24.86 C ATOM 436 NE1 TRP A 740 7.450 7.715 -11.975 1.00 24.36 N ATOM 437 CE2 TRP A 740 6.427 8.459 -12.500 1.00 19.58 C ATOM 438 CE3 TRP A 740 4.036 8.695 -12.195 1.00 25.39 C ATOM 439 CZ2 TRP A 740 6.447 9.443 -13.487 1.00 18.27 C ATOM 440 CZ3 TRP A 740 4.055 9.675 -13.179 1.00 27.77 C ATOM 441 CH2 TRP A 740 5.257 10.042 -13.813 1.00 25.28 C ATOM 442 HE1 TRP A 740 8.451 7.786 -12.248 1.00 0.00 H ATOM 443 H TRP A 740 2.830 6.401 -7.815 1.00 0.00 H ATOM 444 N SER A 741 5.844 8.950 -8.074 1.00 22.71 N ATOM 445 CA SER A 741 5.937 10.409 -8.008 1.00 21.42 C ATOM 446 C SER A 741 6.773 10.918 -9.175 1.00 26.40 C ATOM 447 O SER A 741 7.868 10.405 -9.423 1.00 19.19 O ATOM 448 CB SER A 741 6.579 10.876 -6.698 1.00 22.63 C ATOM 449 OG SER A 741 5.668 10.836 -5.615 1.00 29.10 O ATOM 450 HG SER A 741 4.899 11.428 -5.810 1.00 0.00 H ATOM 451 H SER A 741 6.704 8.395 -7.888 1.00 0.00 H ATOM 452 N CYS A 742 6.272 11.939 -9.869 1.00 19.36 N ATOM 453 CA CYS A 742 6.957 12.466 -11.039 1.00 20.73 C ATOM 454 C CYS A 742 8.190 13.276 -10.629 1.00 22.19 C ATOM 455 O CYS A 742 8.461 13.512 -9.448 1.00 21.75 O ATOM 456 CB CYS A 742 6.014 13.341 -11.863 1.00 16.59 C ATOM 457 SG CYS A 742 5.677 14.951 -11.101 1.00 21.14 S ATOM 458 H CYS A 742 5.373 12.368 -9.568 1.00 0.00 H ATOM 459 N ILE A 743 8.940 13.725 -11.635 1.00 21.23 N ATOM 460 CA ILE A 743 10.195 14.413 -11.360 1.00 21.11 C ATOM 461 C ILE A 743 9.956 15.785 -10.739 1.00 23.46 C ATOM 462 O ILE A 743 10.801 16.271 -9.979 1.00 23.76 O ATOM 463 CB ILE A 743 11.047 14.505 -12.639 1.00 18.98 C ATOM 464 CG1 ILE A 743 12.429 15.072 -12.302 1.00 27.79 C ATOM 465 CG2 ILE A 743 10.348 15.345 -13.693 1.00 19.74 C ATOM 466 CD1 ILE A 743 13.460 14.825 -13.366 1.00 25.78 C ATOM 467 H ILE A 743 8.629 13.584 -12.617 1.00 0.00 H ATOM 468 N PHE A 744 8.815 16.431 -11.029 1.00 19.18 N ATOM 469 CA PHE A 744 8.504 17.695 -10.360 1.00 22.09 C ATOM 470 C PHE A 744 8.353 17.493 -8.861 1.00 26.43 C ATOM 471 O PHE A 744 8.889 18.274 -8.062 1.00 20.10 O ATOM 472 CB PHE A 744 7.235 18.324 -10.944 1.00 16.82 C ATOM 473 CG PHE A 744 7.428 18.890 -12.334 1.00 21.92 C ATOM 474 CD1 PHE A 744 7.441 18.054 -13.446 1.00 19.19 C ATOM 475 CD2 PHE A 744 7.619 20.251 -12.520 1.00 21.74 C ATOM 476 CE1 PHE A 744 7.634 18.568 -14.712 1.00 22.94 C ATOM 477 CE2 PHE A 744 7.802 20.781 -13.781 1.00 20.63 C ATOM 478 CZ PHE A 744 7.811 19.951 -14.881 1.00 20.55 C ATOM 479 H PHE A 744 8.154 16.034 -11.727 1.00 0.00 H ATOM 480 N CYS A 745 7.634 16.442 -8.462 1.00 24.43 N ATOM 481 CA CYS A 745 7.463 16.148 -7.044 1.00 26.15 C ATOM 482 C CYS A 745 8.787 15.763 -6.394 1.00 22.78 C ATOM 483 O CYS A 745 9.059 16.151 -5.252 1.00 21.08 O ATOM 484 CB CYS A 745 6.424 15.030 -6.858 1.00 21.95 C ATOM 485 SG CYS A 745 4.717 15.509 -7.328 1.00 24.13 S ATOM 486 H CYS A 745 7.190 15.825 -9.171 1.00 0.00 H ATOM 487 N ARG A 746 9.609 14.977 -7.088 1.00 19.59 N ATOM 488 CA ARG A 746 10.871 14.545 -6.496 1.00 26.64 C ATOM 489 C ARG A 746 11.855 15.696 -6.377 1.00 27.11 C ATOM 490 O ARG A 746 12.617 15.753 -5.408 1.00 27.21 O ATOM 491 CB ARG A 746 11.477 13.400 -7.305 1.00 23.28 C ATOM 492 CG ARG A 746 10.710 12.094 -7.132 1.00 26.20 C ATOM 493 CD ARG A 746 11.141 11.058 -8.149 1.00 28.38 C ATOM 494 NE ARG A 746 12.508 10.600 -7.924 1.00 36.85 N ATOM 495 CZ ARG A 746 13.199 9.866 -8.793 1.00 43.19 C ATOM 496 NH1 ARG A 746 12.656 9.512 -9.953 1.00 40.84 N ATOM 497 NH2 ARG A 746 14.436 9.489 -8.506 1.00 44.03 N ATOM 498 HE ARG A 746 12.970 10.863 -7.030 1.00 0.00 H ATOM 499 HH12 ARG A 746 13.200 8.938 -10.628 1.00 0.00 H ATOM 500 HH11 ARG A 746 11.687 9.809 -10.185 1.00 0.00 H ATOM 501 HH22 ARG A 746 14.976 8.915 -9.185 1.00 0.00 H ATOM 502 HH21 ARG A 746 14.868 9.767 -7.601 1.00 0.00 H ATOM 503 H ARG A 746 9.352 14.672 -8.049 1.00 0.00 H ATOM 504 N ILE A 747 11.847 16.625 -7.333 1.00 27.21 N ATOM 505 CA ILE A 747 12.690 17.811 -7.202 1.00 22.42 C ATOM 506 C ILE A 747 12.219 18.657 -6.029 1.00 29.27 C ATOM 507 O ILE A 747 13.028 19.149 -5.231 1.00 32.62 O ATOM 508 CB ILE A 747 12.698 18.606 -8.522 1.00 23.26 C ATOM 509 CG1 ILE A 747 13.600 17.918 -9.555 1.00 28.93 C ATOM 510 CG2 ILE A 747 13.116 20.058 -8.282 1.00 27.55 C ATOM 511 CD1 ILE A 747 15.078 17.919 -9.193 1.00 30.87 C ATOM 512 H ILE A 747 11.242 16.506 -8.170 1.00 0.00 H ATOM 513 N LYS A 748 10.902 18.815 -5.891 1.00 27.49 N ATOM 514 CA LYS A 748 10.339 19.606 -4.801 1.00 30.42 C ATOM 515 C LYS A 748 10.742 19.041 -3.443 1.00 34.42 C ATOM 516 O LYS A 748 11.104 19.794 -2.531 1.00 33.16 O ATOM 517 CB LYS A 748 8.819 19.657 -4.955 1.00 28.94 C ATOM 518 CG LYS A 748 8.041 20.432 -3.913 1.00 40.30 C ATOM 519 CD LYS A 748 6.584 20.575 -4.389 1.00 46.99 C ATOM 520 CE LYS A 748 5.769 21.527 -3.531 1.00 51.88 C ATOM 521 NZ LYS A 748 5.158 20.849 -2.355 1.00 50.88 N ATOM 522 HZ1 LYS A 748 4.526 20.091 -2.683 1.00 0.00 H ATOM 523 HZ2 LYS A 748 5.909 20.444 -1.761 1.00 0.00 H ATOM 524 HZ3 LYS A 748 4.613 21.541 -1.802 1.00 0.00 H ATOM 525 H LYS A 748 10.262 18.364 -6.575 1.00 0.00 H ATOM 526 N THR A 749 10.709 17.713 -3.303 1.00 29.26 N ATOM 527 CA THR A 749 11.126 17.069 -2.061 1.00 28.98 C ATOM 528 C THR A 749 12.581 17.385 -1.730 1.00 35.16 C ATOM 529 O THR A 749 12.906 17.743 -0.593 1.00 39.37 O ATOM 530 CB THR A 749 10.929 15.559 -2.174 1.00 29.66 C ATOM 531 OG1 THR A 749 9.533 15.267 -2.307 1.00 32.38 O ATOM 532 CG2 THR A 749 11.499 14.841 -0.951 1.00 30.58 C ATOM 533 HG1 THR A 749 9.407 14.288 -2.380 1.00 0.00 H ATOM 534 H THR A 749 10.379 17.126 -4.095 1.00 0.00 H ATOM 535 N ILE A 750 13.477 17.230 -2.709 1.00 35.06 N ATOM 536 CA ILE A 750 14.887 17.551 -2.500 1.00 32.69 C ATOM 537 C ILE A 750 15.040 19.002 -2.074 1.00 32.76 C ATOM 538 O ILE A 750 15.797 19.316 -1.150 1.00 37.43 O ATOM 539 CB ILE A 750 15.701 17.255 -3.770 1.00 35.16 C ATOM 540 CG1 ILE A 750 15.731 15.755 -4.058 1.00 42.36 C ATOM 541 CG2 ILE A 750 17.111 17.802 -3.648 1.00 43.73 C ATOM 542 CD1 ILE A 750 16.563 15.393 -5.278 1.00 41.66 C ATOM 543 H ILE A 750 13.165 16.875 -3.636 1.00 0.00 H ATOM 544 N GLN A 751 14.305 19.905 -2.722 1.00 32.22 N ATOM 545 CA GLN A 751 14.415 21.324 -2.392 1.00 37.80 C ATOM 546 C GLN A 751 13.945 21.602 -0.971 1.00 43.66 C ATOM 547 O GLN A 751 14.618 22.306 -0.212 1.00 51.18 O ATOM 548 CB GLN A 751 13.630 22.159 -3.405 1.00 33.06 C ATOM 549 CG GLN A 751 14.393 22.337 -4.709 1.00 38.97 C ATOM 550 CD GLN A 751 13.541 22.852 -5.858 1.00 44.17 C ATOM 551 OE1 GLN A 751 12.328 23.049 -5.726 1.00 43.74 O ATOM 552 NE2 GLN A 751 14.183 23.066 -7.005 1.00 43.27 N ATOM 553 HE22 GLN A 751 15.205 22.886 -7.070 1.00 0.00 H ATOM 554 HE21 GLN A 751 13.662 23.413 -7.836 1.00 0.00 H ATOM 555 H GLN A 751 13.649 19.598 -3.468 1.00 0.00 H ATOM 556 N GLU A 752 12.805 21.032 -0.581 1.00 43.75 N ATOM 557 CA GLU A 752 12.242 21.326 0.735 1.00 44.38 C ATOM 558 C GLU A 752 13.115 20.821 1.873 1.00 45.22 C ATOM 559 O GLU A 752 13.053 21.363 2.982 1.00 51.05 O ATOM 560 CB GLU A 752 10.843 20.726 0.857 1.00 40.12 C ATOM 561 CG GLU A 752 9.794 21.547 0.142 1.00 47.28 C ATOM 562 CD GLU A 752 8.461 20.854 0.072 1.00 55.13 C ATOM 563 OE1 GLU A 752 8.380 19.677 0.487 1.00 53.05 O ATOM 564 OE2 GLU A 752 7.496 21.488 -0.408 1.00 65.87 O ATOM 565 H GLU A 752 12.313 20.373 -1.218 1.00 0.00 H ATOM 566 N ARG A 753 13.914 19.788 1.636 1.00 46.71 N ATOM 567 CA ARG A 753 14.727 19.231 2.707 1.00 55.82 C ATOM 568 C ARG A 753 16.119 19.846 2.782 1.00 57.61 C ATOM 569 O ARG A 753 16.813 19.646 3.785 1.00 61.14 O ATOM 570 CB ARG A 753 14.839 17.713 2.550 1.00 59.76 C ATOM 571 CG ARG A 753 15.813 17.283 1.493 1.00 67.83 C ATOM 572 CD ARG A 753 15.681 15.808 1.173 1.00 76.21 C ATOM 573 NE ARG A 753 16.815 15.350 0.375 1.00 82.22 N ATOM 574 CZ ARG A 753 16.789 14.295 -0.432 1.00 82.16 C ATOM 575 NH1 ARG A 753 15.677 13.580 -0.561 1.00 83.40 N ATOM 576 NH2 ARG A 753 17.877 13.961 -1.116 1.00 80.60 N ATOM 577 HE ARG A 753 17.703 15.886 0.443 1.00 0.00 H ATOM 578 HH12 ARG A 753 15.660 12.755 -1.194 1.00 0.00 H ATOM 579 HH11 ARG A 753 14.823 13.846 -0.029 1.00 0.00 H ATOM 580 HH22 ARG A 753 17.861 13.136 -1.749 1.00 0.00 H ATOM 581 HH21 ARG A 753 18.746 14.525 -1.019 1.00 0.00 H ATOM 582 H ARG A 753 13.959 19.375 0.682 1.00 0.00 H ATOM 583 N CYS A 754 16.544 20.584 1.757 1.00 52.39 N ATOM 584 CA CYS A 754 17.842 21.264 1.750 1.00 52.13 C ATOM 585 C CYS A 754 17.647 22.671 1.212 1.00 39.56 C ATOM 586 O CYS A 754 17.984 22.964 0.059 1.00 41.63 O ATOM 587 CB CYS A 754 18.868 20.501 0.909 1.00 64.24 C ATOM 588 SG CYS A 754 19.137 18.785 1.415 1.00 80.89 S ATOM 589 H CYS A 754 15.927 20.682 0.925 1.00 0.00 H ATOM 590 N PRO A 755 17.079 23.571 2.015 1.00 34.23 N ATOM 591 CA PRO A 755 16.837 24.932 1.528 1.00 35.04 C ATOM 592 C PRO A 755 18.152 25.578 1.115 1.00 38.46 C ATOM 593 O PRO A 755 19.202 25.318 1.702 1.00 29.00 O ATOM 594 CB PRO A 755 16.216 25.642 2.738 1.00 37.94 C ATOM 595 CG PRO A 755 15.731 24.544 3.626 1.00 41.06 C ATOM 596 CD PRO A 755 16.696 23.416 3.425 1.00 37.24 C ATOM 597 N GLU A 756 18.090 26.403 0.079 1.00 38.46 N ATOM 598 CA GLU A 756 19.313 26.923 -0.507 1.00 44.26 C ATOM 599 C GLU A 756 19.872 28.066 0.328 1.00 42.00 C ATOM 600 O GLU A 756 19.159 28.724 1.095 1.00 36.58 O ATOM 601 CB GLU A 756 19.069 27.394 -1.942 1.00 46.24 C ATOM 602 CG GLU A 756 18.521 26.310 -2.880 1.00 52.51 C ATOM 603 CD GLU A 756 19.581 25.313 -3.338 1.00 52.42 C ATOM 604 OE1 GLU A 756 20.734 25.411 -2.871 1.00 45.98 O ATOM 605 OE2 GLU A 756 19.260 24.434 -4.176 1.00 54.42 O ATOM 606 H GLU A 756 17.167 26.677 -0.314 1.00 0.00 H ATOM 607 N SER A 757 21.172 28.294 0.165 1.00 40.30 N ATOM 608 CA SER A 757 21.825 29.404 0.831 1.00 43.10 C ATOM 609 C SER A 757 21.549 30.691 0.072 1.00 42.66 C ATOM 610 O SER A 757 21.094 30.684 -1.076 1.00 42.36 O ATOM 611 CB SER A 757 23.334 29.168 0.945 1.00 47.11 C ATOM 612 OG SER A 757 23.950 29.132 -0.333 1.00 46.71 O ATOM 613 HG SER A 757 24.922 28.978 -0.225 1.00 0.00 H ATOM 614 H SER A 757 21.729 27.666 -0.450 1.00 0.00 H ATOM 615 N GLN A 758 21.818 31.811 0.740 1.00 36.58 N ATOM 616 CA GLN A 758 21.648 33.108 0.103 1.00 35.37 C ATOM 617 C GLN A 758 22.728 33.356 -0.944 1.00 41.74 C ATOM 618 O GLN A 758 22.473 34.028 -1.950 1.00 43.72 O ATOM 619 CB GLN A 758 21.654 34.200 1.173 1.00 37.34 C ATOM 620 CG GLN A 758 21.492 35.615 0.677 1.00 41.74 C ATOM 621 CD GLN A 758 21.646 36.637 1.802 1.00 48.44 C ATOM 622 OE1 GLN A 758 22.721 37.209 1.990 1.00 42.51 O ATOM 623 NE2 GLN A 758 20.569 36.862 2.560 1.00 51.76 N ATOM 624 HE22 GLN A 758 19.681 36.356 2.365 1.00 0.00 H ATOM 625 HE21 GLN A 758 20.618 37.543 3.345 1.00 0.00 H ATOM 626 H GLN A 758 22.152 31.758 1.724 1.00 0.00 H ATOM 627 N SER A 759 23.930 32.814 -0.739 1.00 40.76 N ATOM 628 CA SER A 759 25.004 33.021 -1.704 1.00 47.67 C ATOM 629 C SER A 759 24.888 32.090 -2.908 1.00 46.29 C ATOM 630 O SER A 759 25.335 32.444 -4.005 1.00 50.69 O ATOM 631 CB SER A 759 26.364 32.833 -1.029 1.00 43.86 C ATOM 632 OG SER A 759 26.551 31.483 -0.655 1.00 46.68 O ATOM 633 HG SER A 759 25.838 31.215 -0.022 1.00 0.00 H ATOM 634 H SER A 759 24.102 32.242 0.112 1.00 0.00 H ATOM 635 N GLY A 760 24.298 30.915 -2.737 1.00 45.34 N ATOM 636 CA GLY A 760 24.253 30.001 -3.860 1.00 46.18 C ATOM 637 C GLY A 760 25.616 29.360 -4.080 1.00 49.66 C ATOM 638 O GLY A 760 26.463 29.298 -3.186 1.00 55.90 O ATOM 639 H GLY A 760 23.879 30.656 -1.821 1.00 0.00 H ATOM 640 N HIS A 761 25.824 28.884 -5.305 1.00 44.24 N ATOM 641 CA HIS A 761 27.024 28.141 -5.650 1.00 41.26 C ATOM 642 C HIS A 761 27.711 28.783 -6.845 1.00 41.58 C ATOM 643 O HIS A 761 27.094 29.505 -7.632 1.00 44.66 O ATOM 644 CB HIS A 761 26.708 26.676 -5.978 1.00 39.10 C ATOM 645 CG HIS A 761 25.836 26.001 -4.967 1.00 43.97 C ATOM 646 ND1 HIS A 761 26.343 25.318 -3.882 1.00 47.08 N ATOM 647 CD2 HIS A 761 24.488 25.891 -4.884 1.00 48.52 C ATOM 648 CE1 HIS A 761 25.345 24.823 -3.171 1.00 46.58 C ATOM 649 NE2 HIS A 761 24.209 25.156 -3.759 1.00 47.44 N ATOM 650 H HIS A 761 25.105 29.049 -6.038 1.00 0.00 H ATOM 651 N GLN A 762 29.007 28.507 -6.960 1.00 44.51 N ATOM 652 CA GLN A 762 29.772 28.848 -8.147 1.00 46.73 C ATOM 653 C GLN A 762 29.472 27.857 -9.260 1.00 39.26 C ATOM 654 O GLN A 762 29.213 26.676 -9.014 1.00 45.03 O ATOM 655 CB GLN A 762 31.271 28.829 -7.856 1.00 49.99 C ATOM 656 CG GLN A 762 31.686 29.652 -6.664 1.00 56.84 C ATOM 657 CD GLN A 762 31.756 31.129 -6.972 1.00 66.40 C ATOM 658 OE1 GLN A 762 30.779 31.736 -7.420 1.00 64.09 O ATOM 659 NE2 GLN A 762 32.922 31.721 -6.735 1.00 75.17 N ATOM 660 HE22 GLN A 762 33.718 31.169 -6.357 1.00 0.00 H ATOM 661 HE21 GLN A 762 33.038 32.736 -6.928 1.00 0.00 H ATOM 662 H GLN A 762 29.490 28.030 -6.172 1.00 0.00 H ATOM 663 N GLU A 763 29.530 28.346 -10.497 1.00 35.67 N ATOM 664 CA GLU A 763 29.250 27.475 -11.632 1.00 32.95 C ATOM 665 C GLU A 763 30.275 26.358 -11.740 1.00 34.04 C ATOM 666 O GLU A 763 29.917 25.200 -11.983 1.00 28.58 O ATOM 667 CB GLU A 763 29.216 28.281 -12.926 1.00 24.75 C ATOM 668 CG GLU A 763 28.920 27.408 -14.132 1.00 29.79 C ATOM 669 CD GLU A 763 29.026 28.156 -15.434 1.00 39.52 C ATOM 670 OE1 GLU A 763 29.417 29.343 -15.406 1.00 46.91 O ATOM 671 OE2 GLU A 763 28.719 27.549 -16.485 1.00 35.22 O ATOM 672 H GLU A 763 29.774 29.345 -10.653 1.00 0.00 H ATOM 673 N SER A 764 31.562 26.688 -11.572 1.00 31.19 N ATOM 674 CA SER A 764 32.598 25.676 -11.714 1.00 32.52 C ATOM 675 C SER A 764 32.523 24.640 -10.603 1.00 35.18 C ATOM 676 O SER A 764 32.792 23.459 -10.842 1.00 41.69 O ATOM 677 CB SER A 764 33.981 26.339 -11.753 1.00 40.11 C ATOM 678 OG SER A 764 34.162 27.189 -10.633 1.00 50.13 O ATOM 679 HG SER A 764 33.468 27.895 -10.640 1.00 0.00 H ATOM 680 H SER A 764 31.821 27.668 -11.340 1.00 0.00 H ATOM 681 N GLU A 765 32.159 25.052 -9.388 1.00 35.66 N ATOM 682 CA GLU A 765 31.941 24.075 -8.328 1.00 38.61 C ATOM 683 C GLU A 765 30.852 23.087 -8.729 1.00 41.27 C ATOM 684 O GLU A 765 31.016 21.871 -8.586 1.00 43.29 O ATOM 685 CB GLU A 765 31.582 24.785 -7.020 1.00 40.78 C ATOM 686 CG GLU A 765 31.376 23.841 -5.837 1.00 47.75 C ATOM 687 CD GLU A 765 29.974 23.260 -5.783 1.00 58.26 C ATOM 688 OE1 GLU A 765 29.007 24.046 -5.797 1.00 64.24 O ATOM 689 OE2 GLU A 765 29.836 22.017 -5.740 1.00 62.76 O ATOM 690 H GLU A 765 32.031 26.066 -9.197 1.00 0.00 H ATOM 691 N VAL A 766 29.736 23.593 -9.254 1.00 37.70 N ATOM 692 CA VAL A 766 28.650 22.711 -9.680 1.00 33.69 C ATOM 693 C VAL A 766 29.122 21.771 -10.786 1.00 26.41 C ATOM 694 O VAL A 766 28.882 20.561 -10.740 1.00 25.19 O ATOM 695 CB VAL A 766 27.435 23.543 -10.126 1.00 30.55 C ATOM 696 CG1 VAL A 766 26.438 22.662 -10.868 1.00 30.94 C ATOM 697 CG2 VAL A 766 26.769 24.193 -8.913 1.00 27.48 C ATOM 698 H VAL A 766 29.637 24.623 -9.361 1.00 0.00 H ATOM 699 N LEU A 767 29.792 22.321 -11.806 1.00 29.69 N ATOM 700 CA LEU A 767 30.209 21.511 -12.948 1.00 30.84 C ATOM 701 C LEU A 767 31.162 20.392 -12.542 1.00 35.68 C ATOM 702 O LEU A 767 31.146 19.311 -13.142 1.00 35.11 O ATOM 703 CB LEU A 767 30.874 22.397 -13.999 1.00 27.69 C ATOM 704 CG LEU A 767 30.028 23.424 -14.756 1.00 23.59 C ATOM 705 CD1 LEU A 767 30.913 24.275 -15.688 1.00 23.51 C ATOM 706 CD2 LEU A 767 28.942 22.750 -15.532 1.00 25.09 C ATOM 707 H LEU A 767 30.018 23.336 -11.785 1.00 0.00 H ATOM 708 N MET A 768 32.001 20.622 -11.534 1.00 37.05 N ATOM 709 CA MET A 768 32.965 19.599 -11.147 1.00 38.73 C ATOM 710 C MET A 768 32.344 18.472 -10.331 1.00 41.01 C ATOM 711 O MET A 768 33.020 17.467 -10.083 1.00 41.11 O ATOM 712 CB MET A 768 34.118 20.243 -10.376 1.00 42.50 C ATOM 713 CG MET A 768 34.952 21.171 -11.241 1.00 51.80 C ATOM 714 SD MET A 768 36.374 21.873 -10.385 1.00 59.90 S ATOM 715 CE MET A 768 35.619 22.884 -9.106 1.00 52.15 C ATOM 716 H MET A 768 31.969 21.528 -11.025 1.00 0.00 H ATOM 717 N ARG A 769 31.072 18.590 -9.953 1.00 39.45 N ATOM 718 CA ARG A 769 30.449 17.599 -9.086 1.00 38.94 C ATOM 719 C ARG A 769 30.337 16.242 -9.763 1.00 40.16 C ATOM 720 O ARG A 769 29.942 16.135 -10.928 1.00 38.06 O ATOM 721 CB ARG A 769 29.055 18.048 -8.663 1.00 39.14 C ATOM 722 CG ARG A 769 29.039 19.062 -7.553 1.00 38.91 C ATOM 723 CD ARG A 769 27.601 19.319 -7.127 1.00 38.82 C ATOM 724 NE ARG A 769 27.491 20.605 -6.455 1.00 44.77 N ATOM 725 CZ ARG A 769 26.355 21.275 -6.308 1.00 44.10 C ATOM 726 NH1 ARG A 769 25.223 20.775 -6.788 1.00 39.47 N ATOM 727 NH2 ARG A 769 26.355 22.446 -5.686 1.00 40.58 N ATOM 728 HE ARG A 769 28.358 21.026 -6.065 1.00 0.00 H ATOM 729 HH12 ARG A 769 24.333 21.300 -6.673 1.00 0.00 H ATOM 730 HH11 ARG A 769 25.226 19.858 -7.279 1.00 0.00 H ATOM 731 HH22 ARG A 769 25.466 22.973 -5.570 1.00 0.00 H ATOM 732 HH21 ARG A 769 27.244 22.838 -5.315 1.00 0.00 H ATOM 733 H ARG A 769 30.514 19.404 -10.283 1.00 0.00 H ATOM 734 N GLN A 770 30.678 15.202 -9.008 1.00 37.81 N ATOM 735 CA GLN A 770 30.323 13.841 -9.376 1.00 43.54 C ATOM 736 C GLN A 770 28.817 13.731 -9.584 1.00 38.84 C ATOM 737 O GLN A 770 28.023 14.398 -8.915 1.00 37.81 O ATOM 738 CB GLN A 770 30.775 12.881 -8.277 1.00 49.07 C ATOM 739 CG GLN A 770 30.927 11.436 -8.689 1.00 61.33 C ATOM 740 CD GLN A 770 31.570 10.604 -7.589 1.00 62.31 C ATOM 741 OE1 GLN A 770 32.304 11.129 -6.749 1.00 61.52 O ATOM 742 NE2 GLN A 770 31.284 9.307 -7.581 1.00 59.07 N ATOM 743 HE22 GLN A 770 30.659 8.908 -8.310 1.00 0.00 H ATOM 744 HE21 GLN A 770 31.685 8.691 -6.845 1.00 0.00 H ATOM 745 H GLN A 770 31.213 15.366 -8.131 1.00 0.00 H ATOM 746 N MET A 771 28.416 12.881 -10.527 1.00 40.15 N ATOM 747 CA MET A 771 26.992 12.702 -10.816 1.00 42.61 C ATOM 748 C MET A 771 26.395 11.714 -9.809 1.00 43.54 C ATOM 749 O MET A 771 26.061 10.568 -10.118 1.00 41.42 O ATOM 750 CB MET A 771 26.789 12.248 -12.255 1.00 42.78 C ATOM 751 CG MET A 771 25.390 12.458 -12.779 1.00 47.42 C ATOM 752 SD MET A 771 25.002 14.186 -13.148 1.00 39.64 S ATOM 753 CE MET A 771 25.436 14.272 -14.871 1.00 39.95 C ATOM 754 H MET A 771 29.122 12.338 -11.064 1.00 0.00 H ATOM 755 N LEU A 772 26.271 12.188 -8.569 1.00 41.97 N ATOM 756 CA LEU A 772 25.597 11.441 -7.518 1.00 39.99 C ATOM 757 C LEU A 772 24.083 11.510 -7.749 1.00 38.11 C ATOM 758 O LEU A 772 23.615 12.283 -8.588 1.00 38.39 O ATOM 759 CB LEU A 772 26.010 11.997 -6.154 1.00 39.12 C ATOM 760 CG LEU A 772 27.462 11.668 -5.792 1.00 46.70 C ATOM 761 CD1 LEU A 772 27.945 12.416 -4.544 1.00 44.66 C ATOM 762 CD2 LEU A 772 27.629 10.157 -5.633 1.00 39.54 C ATOM 763 H LEU A 772 26.669 13.122 -8.346 1.00 0.00 H ATOM 764 N PRO A 773 23.287 10.695 -7.037 1.00 34.93 N ATOM 765 CA PRO A 773 21.851 10.609 -7.376 1.00 37.21 C ATOM 766 C PRO A 773 21.107 11.939 -7.429 1.00 38.02 C ATOM 767 O PRO A 773 20.251 12.106 -8.305 1.00 32.81 O ATOM 768 CB PRO A 773 21.295 9.695 -6.280 1.00 33.96 C ATOM 769 CG PRO A 773 22.438 8.805 -5.925 1.00 36.47 C ATOM 770 CD PRO A 773 23.672 9.667 -6.045 1.00 30.75 C ATOM 771 N GLU A 774 21.391 12.886 -6.529 1.00 37.09 N ATOM 772 CA GLU A 774 20.722 14.180 -6.606 1.00 34.86 C ATOM 773 C GLU A 774 21.152 14.958 -7.846 1.00 39.88 C ATOM 774 O GLU A 774 20.317 15.588 -8.506 1.00 31.12 O ATOM 775 CB GLU A 774 20.997 15.007 -5.353 1.00 37.33 C ATOM 776 CG GLU A 774 20.055 14.726 -4.196 1.00 50.62 C ATOM 777 CD GLU A 774 20.113 15.806 -3.132 1.00 65.97 C ATOM 778 OE1 GLU A 774 20.594 16.925 -3.439 1.00 65.42 O ATOM 779 OE2 GLU A 774 19.678 15.530 -1.989 1.00 71.59 O ATOM 780 H GLU A 774 22.086 12.701 -5.777 1.00 0.00 H ATOM 781 N GLU A 775 22.454 14.952 -8.162 1.00 33.40 N ATOM 782 CA GLU A 775 22.926 15.625 -9.368 1.00 32.43 C ATOM 783 C GLU A 775 22.318 15.006 -10.620 1.00 28.17 C ATOM 784 O GLU A 775 21.925 15.725 -11.548 1.00 29.52 O ATOM 785 CB GLU A 775 24.453 15.580 -9.443 1.00 36.10 C ATOM 786 CG GLU A 775 25.147 16.706 -8.687 1.00 42.22 C ATOM 787 CD GLU A 775 24.949 16.614 -7.193 1.00 39.05 C ATOM 788 OE1 GLU A 775 24.983 15.487 -6.661 1.00 43.75 O ATOM 789 OE2 GLU A 775 24.733 17.663 -6.558 1.00 41.95 O ATOM 790 H GLU A 775 23.133 14.464 -7.544 1.00 0.00 H ATOM 791 N GLN A 776 22.240 13.672 -10.664 1.00 27.79 N ATOM 792 CA GLN A 776 21.609 12.993 -11.793 1.00 27.22 C ATOM 793 C GLN A 776 20.167 13.449 -11.965 1.00 27.25 C ATOM 794 O GLN A 776 19.719 13.717 -13.086 1.00 22.79 O ATOM 795 CB GLN A 776 21.680 11.475 -11.589 1.00 33.29 C ATOM 796 CG GLN A 776 20.912 10.629 -12.620 1.00 30.72 C ATOM 797 CD GLN A 776 21.748 10.298 -13.853 1.00 35.90 C ATOM 798 OE1 GLN A 776 22.976 10.352 -13.815 1.00 33.03 O ATOM 799 NE2 GLN A 776 21.082 9.966 -14.953 1.00 27.89 N ATOM 800 HE22 GLN A 776 20.043 9.933 -14.941 1.00 0.00 H ATOM 801 HE21 GLN A 776 21.600 9.739 -15.826 1.00 0.00 H ATOM 802 H GLN A 776 22.634 13.110 -9.883 1.00 0.00 H ATOM 803 N LEU A 777 19.427 13.543 -10.859 1.00 29.16 N ATOM 804 CA LEU A 777 18.027 13.940 -10.929 1.00 30.02 C ATOM 805 C LEU A 777 17.879 15.393 -11.357 1.00 28.93 C ATOM 806 O LEU A 777 16.975 15.733 -12.131 1.00 28.20 O ATOM 807 CB LEU A 777 17.350 13.728 -9.579 1.00 31.51 C ATOM 808 CG LEU A 777 15.830 13.835 -9.723 1.00 41.61 C ATOM 809 CD1 LEU A 777 15.310 12.562 -10.387 1.00 42.54 C ATOM 810 CD2 LEU A 777 15.159 14.082 -8.390 1.00 42.71 C ATOM 811 H LEU A 777 19.855 13.330 -9.935 1.00 0.00 H ATOM 812 N LYS A 778 18.736 16.273 -10.846 1.00 28.51 N ATOM 813 CA LYS A 778 18.653 17.663 -11.268 1.00 25.87 C ATOM 814 C LYS A 778 18.979 17.800 -12.751 1.00 23.49 C ATOM 815 O LYS A 778 18.312 18.554 -13.469 1.00 25.43 O ATOM 816 CB LYS A 778 19.566 18.530 -10.405 1.00 27.80 C ATOM 817 CG LYS A 778 19.069 18.686 -8.979 1.00 26.36 C ATOM 818 CD LYS A 778 20.027 19.567 -8.172 1.00 38.49 C ATOM 819 CE LYS A 778 19.430 19.928 -6.815 1.00 38.58 C ATOM 820 NZ LYS A 778 20.296 20.849 -6.041 1.00 50.26 N ATOM 821 HZ1 LYS A 778 21.219 20.399 -5.876 1.00 0.00 H ATOM 822 HZ2 LYS A 778 20.430 21.730 -6.577 1.00 0.00 H ATOM 823 HZ3 LYS A 778 19.845 21.062 -5.129 1.00 0.00 H ATOM 824 H LYS A 778 19.454 15.972 -10.156 1.00 0.00 H ATOM 825 N CYS A 779 19.968 17.047 -13.241 1.00 19.39 N ATOM 826 CA CYS A 779 20.247 17.075 -14.674 1.00 26.67 C ATOM 827 C CYS A 779 19.063 16.536 -15.476 1.00 26.25 C ATOM 828 O CYS A 779 18.724 17.078 -16.532 1.00 23.67 O ATOM 829 CB CYS A 779 21.522 16.285 -14.980 1.00 28.00 C ATOM 830 SG CYS A 779 23.031 17.116 -14.430 1.00 28.14 S ATOM 831 H CYS A 779 20.534 16.447 -12.608 1.00 0.00 H ATOM 832 N GLU A 780 18.424 15.467 -14.993 1.00 25.96 N ATOM 833 CA GLU A 780 17.246 14.949 -15.684 1.00 22.32 C ATOM 834 C GLU A 780 16.135 15.995 -15.735 1.00 18.87 C ATOM 835 O GLU A 780 15.462 16.144 -16.758 1.00 21.10 O ATOM 836 CB GLU A 780 16.780 13.653 -15.006 1.00 21.43 C ATOM 837 CG GLU A 780 17.740 12.479 -15.304 1.00 20.41 C ATOM 838 CD GLU A 780 17.571 11.274 -14.383 1.00 26.12 C ATOM 839 OE1 GLU A 780 17.004 11.422 -13.291 1.00 23.93 O ATOM 840 OE2 GLU A 780 18.030 10.173 -14.756 1.00 34.23 O ATOM 841 H GLU A 780 18.765 15.004 -14.126 1.00 0.00 H ATOM 842 N PHE A 781 15.946 16.746 -14.646 1.00 20.23 N ATOM 843 CA PHE A 781 14.908 17.774 -14.604 1.00 23.03 C ATOM 844 C PHE A 781 15.265 18.951 -15.504 1.00 24.36 C ATOM 845 O PHE A 781 14.399 19.511 -16.187 1.00 18.56 O ATOM 846 CB PHE A 781 14.707 18.217 -13.151 1.00 21.21 C ATOM 847 CG PHE A 781 13.566 19.175 -12.941 1.00 23.62 C ATOM 848 CD1 PHE A 781 12.286 18.870 -13.379 1.00 18.00 C ATOM 849 CD2 PHE A 781 13.764 20.363 -12.249 1.00 23.55 C ATOM 850 CE1 PHE A 781 11.235 19.754 -13.161 1.00 19.70 C ATOM 851 CE2 PHE A 781 12.721 21.247 -12.027 1.00 22.32 C ATOM 852 CZ PHE A 781 11.457 20.948 -12.475 1.00 21.52 C ATOM 853 H PHE A 781 16.549 16.596 -13.812 1.00 0.00 H ATOM 854 N LEU A 782 16.544 19.316 -15.539 1.00 23.91 N ATOM 855 CA LEU A 782 17.009 20.361 -16.445 1.00 23.25 C ATOM 856 C LEU A 782 16.851 19.939 -17.903 1.00 19.58 C ATOM 857 O LEU A 782 16.413 20.731 -18.740 1.00 20.20 O ATOM 858 CB LEU A 782 18.475 20.689 -16.122 1.00 19.05 C ATOM 859 CG LEU A 782 19.282 21.629 -17.011 1.00 21.56 C ATOM 860 CD1 LEU A 782 18.556 22.927 -17.273 1.00 18.59 C ATOM 861 CD2 LEU A 782 20.629 21.908 -16.350 1.00 22.93 C ATOM 862 H LEU A 782 17.225 18.847 -14.908 1.00 0.00 H ATOM 863 N LEU A 783 17.213 18.698 -18.233 1.00 15.65 N ATOM 864 CA LEU A 783 16.928 18.205 -19.575 1.00 19.34 C ATOM 865 C LEU A 783 15.433 18.270 -19.870 1.00 18.12 C ATOM 866 O LEU A 783 15.019 18.698 -20.955 1.00 19.20 O ATOM 867 CB LEU A 783 17.437 16.776 -19.718 1.00 16.90 C ATOM 868 CG LEU A 783 17.271 16.158 -21.104 1.00 22.72 C ATOM 869 CD1 LEU A 783 17.829 17.073 -22.186 1.00 22.63 C ATOM 870 CD2 LEU A 783 17.952 14.786 -21.142 1.00 18.43 C ATOM 871 H LEU A 783 17.693 18.089 -17.540 1.00 0.00 H ATOM 872 N LEU A 784 14.604 17.872 -18.902 1.00 18.95 N ATOM 873 CA LEU A 784 13.161 17.839 -19.135 1.00 18.10 C ATOM 874 C LEU A 784 12.600 19.243 -19.354 1.00 16.02 C ATOM 875 O LEU A 784 11.706 19.438 -20.185 1.00 22.92 O ATOM 876 CB LEU A 784 12.460 17.149 -17.965 1.00 17.10 C ATOM 877 CG LEU A 784 10.932 17.036 -18.055 1.00 17.90 C ATOM 878 CD1 LEU A 784 10.467 15.644 -17.618 1.00 16.15 C ATOM 879 CD2 LEU A 784 10.231 18.138 -17.223 1.00 15.59 C ATOM 880 H LEU A 784 14.986 17.584 -17.979 1.00 0.00 H ATOM 881 N LYS A 785 13.112 20.236 -18.628 1.00 18.70 N ATOM 882 CA LYS A 785 12.639 21.603 -18.826 1.00 17.61 C ATOM 883 C LYS A 785 12.949 22.112 -20.234 1.00 23.00 C ATOM 884 O LYS A 785 12.210 22.944 -20.766 1.00 21.50 O ATOM 885 CB LYS A 785 13.259 22.536 -17.776 1.00 18.29 C ATOM 886 CG LYS A 785 12.746 22.331 -16.352 1.00 20.18 C ATOM 887 CD LYS A 785 11.236 22.523 -16.297 1.00 31.50 C ATOM 888 CE LYS A 785 10.855 23.969 -16.076 1.00 39.87 C ATOM 889 NZ LYS A 785 10.698 24.248 -14.615 1.00 49.78 N ATOM 890 HZ1 LYS A 785 9.953 23.637 -14.225 1.00 0.00 H ATOM 891 HZ2 LYS A 785 11.596 24.055 -14.128 1.00 0.00 H ATOM 892 HZ3 LYS A 785 10.436 25.245 -14.480 1.00 0.00 H ATOM 893 H LYS A 785 13.848 20.037 -17.921 1.00 0.00 H ATOM 894 N VAL A 786 14.048 21.658 -20.844 1.00 19.38 N ATOM 895 CA VAL A 786 14.280 21.998 -22.244 1.00 18.93 C ATOM 896 C VAL A 786 13.219 21.350 -23.136 1.00 15.74 C ATOM 897 O VAL A 786 12.619 22.009 -23.990 1.00 16.46 O ATOM 898 CB VAL A 786 15.703 21.600 -22.671 1.00 19.90 C ATOM 899 CG1 VAL A 786 15.866 21.806 -24.159 1.00 15.17 C ATOM 900 CG2 VAL A 786 16.731 22.431 -21.922 1.00 19.35 C ATOM 901 H VAL A 786 14.731 21.069 -20.326 1.00 0.00 H ATOM 902 N TYR A 787 12.970 20.049 -22.956 1.00 13.41 N ATOM 903 CA TYR A 787 11.929 19.394 -23.747 1.00 17.87 C ATOM 904 C TYR A 787 10.572 20.051 -23.528 1.00 14.49 C ATOM 905 O TYR A 787 9.714 20.010 -24.413 1.00 18.65 O ATOM 906 CB TYR A 787 11.839 17.905 -23.405 1.00 16.94 C ATOM 907 CG TYR A 787 12.874 17.005 -24.073 1.00 21.80 C ATOM 908 CD1 TYR A 787 12.672 16.512 -25.356 1.00 23.69 C ATOM 909 CD2 TYR A 787 14.029 16.624 -23.402 1.00 21.41 C ATOM 910 CE1 TYR A 787 13.602 15.671 -25.964 1.00 21.50 C ATOM 911 CE2 TYR A 787 14.969 15.779 -23.998 1.00 24.29 C ATOM 912 CZ TYR A 787 14.745 15.307 -25.273 1.00 25.75 C ATOM 913 OH TYR A 787 15.663 14.475 -25.865 1.00 23.21 O ATOM 914 HH TYR A 787 15.349 14.232 -26.772 1.00 0.00 H ATOM 915 H TYR A 787 13.514 19.505 -22.256 1.00 0.00 H ATOM 916 N CYS A 788 10.363 20.667 -22.367 1.00 18.04 N ATOM 917 CA CYS A 788 9.075 21.290 -22.076 1.00 22.23 C ATOM 918 C CYS A 788 8.740 22.434 -23.022 1.00 26.82 C ATOM 919 O CYS A 788 7.572 22.839 -23.088 1.00 21.73 O ATOM 920 CB CYS A 788 9.045 21.799 -20.638 1.00 20.08 C ATOM 921 SG CYS A 788 8.601 20.546 -19.425 1.00 20.79 S ATOM 922 H CYS A 788 11.125 20.705 -21.660 1.00 0.00 H ATOM 923 N ASP A 789 9.720 22.955 -23.762 1.00 26.78 N ATOM 924 CA ASP A 789 9.470 24.015 -24.731 1.00 23.78 C ATOM 925 C ASP A 789 9.218 23.390 -26.092 1.00 23.21 C ATOM 926 O ASP A 789 9.977 22.522 -26.528 1.00 18.32 O ATOM 927 CB ASP A 789 10.651 24.990 -24.807 1.00 24.35 C ATOM 928 CG ASP A 789 10.276 26.292 -25.516 1.00 33.69 C ATOM 929 OD1 ASP A 789 10.284 26.312 -26.765 1.00 33.27 O ATOM 930 OD2 ASP A 789 9.931 27.277 -24.825 1.00 31.79 O ATOM 931 H ASP A 789 10.689 22.595 -23.644 1.00 0.00 H ATOM 932 N SER A 790 8.155 23.825 -26.770 1.00 21.70 N ATOM 933 CA SER A 790 7.795 23.161 -28.021 1.00 29.96 C ATOM 934 C SER A 790 8.878 23.333 -29.079 1.00 30.84 C ATOM 935 O SER A 790 9.006 22.499 -29.984 1.00 30.54 O ATOM 936 CB SER A 790 6.474 23.700 -28.550 1.00 36.93 C ATOM 937 OG SER A 790 6.718 24.840 -29.349 1.00 42.59 O ATOM 938 HG SER A 790 5.858 25.191 -29.693 1.00 0.00 H ATOM 939 H SER A 790 7.592 24.624 -26.414 1.00 0.00 H ATOM 940 N LYS A 791 9.670 24.398 -28.981 1.00 21.58 N ATOM 941 CA LYS A 791 10.758 24.585 -29.933 1.00 30.99 C ATOM 942 C LYS A 791 11.895 23.593 -29.749 1.00 30.42 C ATOM 943 O LYS A 791 12.791 23.551 -30.597 1.00 25.63 O ATOM 944 CB LYS A 791 11.316 25.993 -29.813 1.00 29.20 C ATOM 945 CG LYS A 791 10.286 27.060 -29.983 1.00 30.08 C ATOM 946 CD LYS A 791 10.938 28.416 -29.817 1.00 31.75 C ATOM 947 CE LYS A 791 9.931 29.505 -30.023 1.00 39.81 C ATOM 948 NZ LYS A 791 9.407 29.933 -28.700 1.00 53.98 N ATOM 949 HZ1 LYS A 791 8.958 29.123 -28.228 1.00 0.00 H ATOM 950 HZ2 LYS A 791 10.192 30.285 -28.115 1.00 0.00 H ATOM 951 HZ3 LYS A 791 8.706 30.690 -28.834 1.00 0.00 H ATOM 952 H LYS A 791 9.513 25.096 -28.226 1.00 0.00 H ATOM 953 N SER A 792 11.887 22.804 -28.674 1.00 26.43 N ATOM 954 CA SER A 792 12.956 21.833 -28.457 1.00 23.65 C ATOM 955 C SER A 792 12.998 20.769 -29.538 1.00 26.50 C ATOM 956 O SER A 792 14.039 20.131 -29.721 1.00 26.91 O ATOM 957 CB SER A 792 12.783 21.152 -27.107 1.00 21.70 C ATOM 958 OG SER A 792 11.629 20.332 -27.140 1.00 27.17 O ATOM 959 HG SER A 792 11.733 19.646 -27.847 1.00 0.00 H ATOM 960 H SER A 792 11.113 22.881 -27.984 1.00 0.00 H ATOM 961 N CYS A 793 11.897 20.562 -30.264 1.00 22.79 N ATOM 962 CA CYS A 793 11.863 19.466 -31.222 1.00 19.89 C ATOM 963 C CYS A 793 12.880 19.671 -32.333 1.00 20.24 C ATOM 964 O CYS A 793 13.359 18.700 -32.927 1.00 25.99 O ATOM 965 CB CYS A 793 10.452 19.311 -31.801 1.00 30.43 C ATOM 966 SG CYS A 793 9.879 20.749 -32.720 1.00 41.05 S ATOM 967 H CYS A 793 11.069 21.180 -30.146 1.00 0.00 H ATOM 968 N PHE A 794 13.253 20.917 -32.606 1.00 23.63 N ATOM 969 CA PHE A 794 14.246 21.167 -33.640 1.00 31.66 C ATOM 970 C PHE A 794 15.654 20.754 -33.237 1.00 28.03 C ATOM 971 O PHE A 794 16.520 20.707 -34.106 1.00 24.92 O ATOM 972 CB PHE A 794 14.225 22.639 -34.024 1.00 35.98 C ATOM 973 CG PHE A 794 12.920 23.067 -34.595 1.00 49.57 C ATOM 974 CD1 PHE A 794 12.662 22.914 -35.949 1.00 57.03 C ATOM 975 CD2 PHE A 794 11.925 23.574 -33.777 1.00 52.57 C ATOM 976 CE1 PHE A 794 11.443 23.290 -36.486 1.00 59.24 C ATOM 977 CE2 PHE A 794 10.704 23.951 -34.305 1.00 56.52 C ATOM 978 CZ PHE A 794 10.464 23.812 -35.662 1.00 58.39 C ATOM 979 H PHE A 794 12.836 21.712 -32.081 1.00 0.00 H ATOM 980 N PHE A 795 15.901 20.456 -31.960 1.00 23.12 N ATOM 981 CA PHE A 795 17.201 19.980 -31.500 1.00 23.52 C ATOM 982 C PHE A 795 17.139 18.570 -30.936 1.00 28.95 C ATOM 983 O PHE A 795 18.124 18.101 -30.358 1.00 29.97 O ATOM 984 CB PHE A 795 17.761 20.924 -30.435 1.00 29.46 C ATOM 985 CG PHE A 795 17.846 22.344 -30.882 1.00 26.98 C ATOM 986 CD1 PHE A 795 18.866 22.751 -31.711 1.00 26.47 C ATOM 987 CD2 PHE A 795 16.894 23.266 -30.488 1.00 27.75 C ATOM 988 CE1 PHE A 795 18.947 24.056 -32.137 1.00 32.19 C ATOM 989 CE2 PHE A 795 16.975 24.575 -30.901 1.00 29.90 C ATOM 990 CZ PHE A 795 17.998 24.970 -31.730 1.00 30.11 C ATOM 991 H PHE A 795 15.136 20.568 -31.265 1.00 0.00 H ATOM 992 N ALA A 796 16.001 17.892 -31.058 1.00 21.30 N ATOM 993 CA ALA A 796 15.831 16.636 -30.344 1.00 21.18 C ATOM 994 C ALA A 796 16.459 15.473 -31.103 1.00 21.62 C ATOM 995 O ALA A 796 17.044 14.581 -30.486 1.00 29.10 O ATOM 996 CB ALA A 796 14.338 16.377 -30.089 1.00 21.25 C ATOM 997 H ALA A 796 15.237 18.258 -31.661 1.00 0.00 H ATOM 998 N SER A 797 16.365 15.482 -32.430 1.00 26.97 N ATOM 999 CA SER A 797 16.763 14.368 -33.275 1.00 31.77 C ATOM 1000 C SER A 797 18.153 14.572 -33.862 1.00 36.17 C ATOM 1001 O SER A 797 18.685 15.685 -33.920 1.00 33.23 O ATOM 1002 CB SER A 797 15.760 14.169 -34.415 1.00 32.04 C ATOM 1003 OG SER A 797 14.503 13.797 -33.905 1.00 44.30 O ATOM 1004 HG SER A 797 13.868 13.673 -34.654 1.00 0.00 H ATOM 1005 H SER A 797 15.985 16.334 -32.889 1.00 0.00 H ATOM 1006 N GLU A 798 18.723 13.470 -34.329 1.00 39.60 N ATOM 1007 CA GLU A 798 20.043 13.514 -34.941 1.00 46.61 C ATOM 1008 C GLU A 798 20.000 14.361 -36.210 1.00 41.00 C ATOM 1009 O GLU A 798 19.130 14.146 -37.063 1.00 45.45 O ATOM 1010 CB GLU A 798 20.529 12.101 -35.267 1.00 45.15 C ATOM 1011 CG GLU A 798 21.900 12.079 -35.907 1.00 45.88 C ATOM 1012 CD GLU A 798 22.339 10.696 -36.309 1.00 43.82 C ATOM 1013 OE1 GLU A 798 21.529 9.753 -36.226 1.00 51.31 O ATOM 1014 OE2 GLU A 798 23.507 10.550 -36.704 1.00 55.55 O ATOM 1015 H GLU A 798 18.221 12.562 -34.257 1.00 0.00 H ATOM 1016 N PRO A 799 20.897 15.326 -36.371 1.00 43.17 N ATOM 1017 CA PRO A 799 20.863 16.172 -37.569 1.00 49.56 C ATOM 1018 C PRO A 799 21.273 15.394 -38.810 1.00 61.82 C ATOM 1019 O PRO A 799 21.978 14.385 -38.746 1.00 61.19 O ATOM 1020 CB PRO A 799 21.873 17.284 -37.256 1.00 50.36 C ATOM 1021 CG PRO A 799 22.159 17.174 -35.776 1.00 50.35 C ATOM 1022 CD PRO A 799 21.954 15.732 -35.431 1.00 48.53 C ATOM 1023 N TYR A 800 20.815 15.885 -39.958 1.00 72.31 N ATOM 1024 CA TYR A 800 21.121 15.256 -41.243 1.00 75.69 C ATOM 1025 C TYR A 800 22.409 15.805 -41.847 1.00 73.05 C ATOM 1026 O TYR A 800 22.544 17.011 -42.042 1.00 73.13 O ATOM 1027 CB TYR A 800 19.962 15.451 -42.222 1.00 78.67 C ATOM 1028 CG TYR A 800 18.733 14.638 -41.883 1.00 82.56 C ATOM 1029 CD1 TYR A 800 17.788 15.107 -40.976 1.00 81.16 C ATOM 1030 CD2 TYR A 800 18.516 13.400 -42.473 1.00 84.41 C ATOM 1031 CE1 TYR A 800 16.660 14.360 -40.664 1.00 80.38 C ATOM 1032 CE2 TYR A 800 17.394 12.648 -42.171 1.00 82.77 C ATOM 1033 CZ TYR A 800 16.470 13.130 -41.268 1.00 80.92 C ATOM 1034 OH TYR A 800 15.356 12.371 -40.971 1.00 76.39 O ATOM 1035 HH TYR A 800 14.796 12.853 -40.312 1.00 0.00 H ATOM 1036 H TYR A 800 20.223 16.740 -39.942 1.00 0.00 H TER 1037 TYR A 800 ATOM 1038 N GLY A 808 28.801 18.790 -40.988 1.00 73.91 N ATOM 1039 CA GLY A 808 29.262 20.119 -40.631 1.00 73.52 C ATOM 1040 C GLY A 808 30.159 20.170 -39.406 1.00 75.43 C ATOM 1041 O GLY A 808 31.387 20.177 -39.535 1.00 74.13 O ATOM 1042 HN3 GLY A 808 28.256 18.390 -40.198 1.00 0.00 H ATOM 1043 HN2 GLY A 808 29.621 18.182 -41.189 1.00 0.00 H ATOM 1044 HN1 GLY A 808 28.197 18.849 -41.833 1.00 0.00 H ATOM 1045 N PRO A 809 29.551 20.197 -38.219 1.00 73.32 N ATOM 1046 CA PRO A 809 30.330 20.375 -36.988 1.00 71.22 C ATOM 1047 C PRO A 809 31.177 19.153 -36.665 1.00 73.32 C ATOM 1048 O PRO A 809 30.869 18.023 -37.049 1.00 77.19 O ATOM 1049 CB PRO A 809 29.256 20.596 -35.919 1.00 68.86 C ATOM 1050 CG PRO A 809 28.067 19.855 -36.446 1.00 67.31 C ATOM 1051 CD PRO A 809 28.113 20.025 -37.943 1.00 73.27 C ATOM 1052 N GLN A 810 32.260 19.401 -35.928 1.00 69.03 N ATOM 1053 CA GLN A 810 33.186 18.329 -35.590 1.00 73.05 C ATOM 1054 C GLN A 810 32.633 17.388 -34.532 1.00 67.71 C ATOM 1055 O GLN A 810 33.243 16.341 -34.276 1.00 69.45 O ATOM 1056 CB GLN A 810 34.525 18.914 -35.134 1.00 74.35 C ATOM 1057 CG GLN A 810 35.217 19.758 -36.201 1.00 78.12 C ATOM 1058 CD GLN A 810 35.392 19.018 -37.518 1.00 81.59 C ATOM 1059 OE1 GLN A 810 36.315 18.217 -37.677 1.00 76.76 O ATOM 1060 NE2 GLN A 810 34.508 19.293 -38.474 1.00 84.85 N ATOM 1061 HE22 GLN A 810 33.745 19.976 -38.295 1.00 0.00 H ATOM 1062 HE21 GLN A 810 34.581 18.825 -39.400 1.00 0.00 H ATOM 1063 H GLN A 810 32.445 20.368 -35.592 1.00 0.00 H ATOM 1064 N LYS A 811 31.495 17.715 -33.926 1.00 52.46 N ATOM 1065 CA LYS A 811 30.876 16.846 -32.926 1.00 43.43 C ATOM 1066 C LYS A 811 29.385 17.146 -32.854 1.00 39.83 C ATOM 1067 O LYS A 811 28.928 17.938 -32.025 1.00 33.12 O ATOM 1068 CB LYS A 811 31.548 17.017 -31.561 1.00 44.32 C ATOM 1069 CG LYS A 811 31.079 16.031 -30.506 1.00 50.29 C ATOM 1070 CD LYS A 811 31.923 16.121 -29.241 1.00 53.86 C ATOM 1071 CE LYS A 811 31.252 15.419 -28.071 1.00 54.26 C ATOM 1072 NZ LYS A 811 30.732 14.070 -28.445 1.00 58.03 N ATOM 1073 HZ1 LYS A 811 30.032 14.169 -29.208 1.00 0.00 H ATOM 1074 HZ2 LYS A 811 31.520 13.474 -28.771 1.00 0.00 H ATOM 1075 HZ3 LYS A 811 30.284 13.631 -27.616 1.00 0.00 H ATOM 1076 H LYS A 811 31.032 18.614 -34.170 1.00 0.00 H ATOM 1077 N PRO A 812 28.599 16.549 -33.749 1.00 33.61 N ATOM 1078 CA PRO A 812 27.147 16.716 -33.674 1.00 34.51 C ATOM 1079 C PRO A 812 26.608 16.291 -32.317 1.00 29.13 C ATOM 1080 O PRO A 812 27.160 15.426 -31.640 1.00 31.04 O ATOM 1081 CB PRO A 812 26.624 15.812 -34.801 1.00 34.35 C ATOM 1082 CG PRO A 812 27.801 14.969 -35.246 1.00 39.23 C ATOM 1083 CD PRO A 812 29.019 15.770 -34.928 1.00 40.14 C ATOM 1084 N MET A 813 25.511 16.924 -31.916 1.00 26.12 N ATOM 1085 CA MET A 813 24.890 16.612 -30.638 1.00 23.07 C ATOM 1086 C MET A 813 23.414 16.963 -30.722 1.00 29.19 C ATOM 1087 O MET A 813 23.025 17.913 -31.404 1.00 23.60 O ATOM 1088 CB MET A 813 25.576 17.363 -29.487 1.00 22.04 C ATOM 1089 CG MET A 813 25.079 16.995 -28.084 1.00 26.16 C ATOM 1090 SD MET A 813 25.150 15.220 -27.754 1.00 30.13 S ATOM 1091 CE MET A 813 26.868 14.875 -28.086 1.00 28.06 C ATOM 1092 H MET A 813 25.090 17.654 -32.525 1.00 0.00 H ATOM 1093 N TRP A 814 22.591 16.177 -30.037 1.00 28.71 N ATOM 1094 CA TRP A 814 21.157 16.401 -30.077 1.00 28.83 C ATOM 1095 C TRP A 814 20.562 15.944 -28.752 1.00 26.97 C ATOM 1096 O TRP A 814 21.207 15.241 -27.972 1.00 29.69 O ATOM 1097 CB TRP A 814 20.520 15.712 -31.302 1.00 32.82 C ATOM 1098 CG TRP A 814 20.738 14.224 -31.465 1.00 33.82 C ATOM 1099 CD1 TRP A 814 19.836 13.236 -31.196 1.00 36.41 C ATOM 1100 CD2 TRP A 814 21.912 13.564 -31.978 1.00 37.29 C ATOM 1101 NE1 TRP A 814 20.380 12.003 -31.486 1.00 34.82 N ATOM 1102 CE2 TRP A 814 21.650 12.178 -31.968 1.00 37.01 C ATOM 1103 CE3 TRP A 814 23.161 14.010 -32.430 1.00 37.82 C ATOM 1104 CZ2 TRP A 814 22.585 11.235 -32.394 1.00 37.98 C ATOM 1105 CZ3 TRP A 814 24.094 13.065 -32.852 1.00 42.05 C ATOM 1106 CH2 TRP A 814 23.797 11.695 -32.830 1.00 41.53 C ATOM 1107 HE1 TRP A 814 19.903 11.088 -31.359 1.00 0.00 H ATOM 1108 H TRP A 814 22.976 15.396 -29.468 1.00 0.00 H ATOM 1109 N LEU A 815 19.330 16.390 -28.476 1.00 23.59 N ATOM 1110 CA LEU A 815 18.768 16.174 -27.145 1.00 18.71 C ATOM 1111 C LEU A 815 18.530 14.691 -26.875 1.00 23.25 C ATOM 1112 O LEU A 815 18.788 14.211 -25.767 1.00 22.78 O ATOM 1113 CB LEU A 815 17.472 16.982 -26.976 1.00 23.09 C ATOM 1114 CG LEU A 815 17.622 18.516 -26.909 1.00 20.44 C ATOM 1115 CD1 LEU A 815 16.281 19.210 -27.081 1.00 19.17 C ATOM 1116 CD2 LEU A 815 18.283 18.976 -25.606 1.00 15.35 C ATOM 1117 H LEU A 815 18.777 16.886 -29.204 1.00 0.00 H ATOM 1118 N ASN A 816 18.049 13.944 -27.873 1.00 22.20 N ATOM 1119 CA ASN A 816 17.795 12.525 -27.644 1.00 27.82 C ATOM 1120 C ASN A 816 19.087 11.766 -27.371 1.00 30.89 C ATOM 1121 O ASN A 816 19.073 10.744 -26.671 1.00 29.56 O ATOM 1122 CB ASN A 816 17.049 11.910 -28.829 1.00 23.35 C ATOM 1123 CG ASN A 816 15.612 12.388 -28.927 1.00 30.98 C ATOM 1124 OD1 ASN A 816 15.061 12.957 -27.974 1.00 29.14 O ATOM 1125 ND2 ASN A 816 14.986 12.142 -30.077 1.00 25.26 N ATOM 1126 HD22 ASN A 816 15.489 11.661 -30.850 1.00 0.00 H ATOM 1127 HD21 ASN A 816 13.995 12.431 -30.202 1.00 0.00 H ATOM 1128 H ASN A 816 17.858 14.369 -28.803 1.00 0.00 H ATOM 1129 N LYS A 817 20.216 12.258 -27.882 1.00 29.00 N ATOM 1130 CA LYS A 817 21.488 11.613 -27.566 1.00 28.00 C ATOM 1131 C LYS A 817 21.898 11.890 -26.124 1.00 26.65 C ATOM 1132 O LYS A 817 22.425 11.004 -25.438 1.00 27.42 O ATOM 1133 CB LYS A 817 22.566 12.082 -28.542 1.00 22.83 C ATOM 1134 CG LYS A 817 23.925 11.434 -28.313 1.00 30.13 C ATOM 1135 CD LYS A 817 24.930 11.871 -29.377 1.00 33.69 C ATOM 1136 CE LYS A 817 26.326 11.365 -29.062 1.00 50.96 C ATOM 1137 NZ LYS A 817 26.327 9.915 -28.737 1.00 57.77 N ATOM 1138 HZ1 LYS A 817 25.723 9.747 -27.907 1.00 0.00 H ATOM 1139 HZ2 LYS A 817 25.960 9.379 -29.549 1.00 0.00 H ATOM 1140 HZ3 LYS A 817 27.299 9.608 -28.528 1.00 0.00 H ATOM 1141 H LYS A 817 20.191 13.094 -28.500 1.00 0.00 H ATOM 1142 N VAL A 818 21.658 13.114 -25.651 1.00 23.86 N ATOM 1143 CA VAL A 818 21.910 13.458 -24.256 1.00 22.28 C ATOM 1144 C VAL A 818 20.994 12.664 -23.339 1.00 26.70 C ATOM 1145 O VAL A 818 21.422 12.161 -22.292 1.00 31.21 O ATOM 1146 CB VAL A 818 21.736 14.977 -24.056 1.00 24.17 C ATOM 1147 CG1 VAL A 818 22.022 15.387 -22.614 1.00 22.75 C ATOM 1148 CG2 VAL A 818 22.626 15.742 -25.027 1.00 22.80 C ATOM 1149 H VAL A 818 21.282 13.841 -26.293 1.00 0.00 H ATOM 1150 N LYS A 819 19.714 12.550 -23.708 1.00 26.58 N ATOM 1151 CA LYS A 819 18.787 11.729 -22.935 1.00 28.23 C ATOM 1152 C LYS A 819 19.318 10.307 -22.779 1.00 28.30 C ATOM 1153 O LYS A 819 19.348 9.755 -21.672 1.00 29.01 O ATOM 1154 CB LYS A 819 17.412 11.724 -23.606 1.00 28.53 C ATOM 1155 CG LYS A 819 16.351 10.956 -22.824 1.00 33.60 C ATOM 1156 CD LYS A 819 14.992 10.970 -23.520 1.00 28.29 C ATOM 1157 CE LYS A 819 14.231 12.266 -23.271 1.00 22.02 C ATOM 1158 NZ LYS A 819 12.787 12.158 -23.714 1.00 24.53 N ATOM 1159 HZ1 LYS A 819 12.753 11.947 -24.732 1.00 0.00 H ATOM 1160 HZ2 LYS A 819 12.319 11.395 -23.184 1.00 0.00 H ATOM 1161 HZ3 LYS A 819 12.301 13.058 -23.529 1.00 0.00 H ATOM 1162 H LYS A 819 19.375 13.051 -24.554 1.00 0.00 H ATOM 1163 N THR A 820 19.755 9.701 -23.883 1.00 26.48 N ATOM 1164 CA THR A 820 20.315 8.349 -23.820 1.00 31.53 C ATOM 1165 C THR A 820 21.550 8.296 -22.925 1.00 34.77 C ATOM 1166 O THR A 820 21.676 7.409 -22.072 1.00 36.93 O ATOM 1167 CB THR A 820 20.659 7.859 -25.228 1.00 31.60 C ATOM 1168 OG1 THR A 820 19.454 7.710 -25.984 1.00 32.85 O ATOM 1169 CG2 THR A 820 21.384 6.515 -25.172 1.00 32.41 C ATOM 1170 HG1 THR A 820 19.675 7.393 -26.896 1.00 0.00 H ATOM 1171 H THR A 820 19.698 10.193 -24.798 1.00 0.00 H ATOM 1172 N SER A 821 22.483 9.236 -23.107 1.00 35.37 N ATOM 1173 CA SER A 821 23.706 9.210 -22.305 1.00 35.03 C ATOM 1174 C SER A 821 23.398 9.361 -20.821 1.00 36.81 C ATOM 1175 O SER A 821 24.007 8.691 -19.980 1.00 32.58 O ATOM 1176 CB SER A 821 24.663 10.310 -22.766 1.00 33.03 C ATOM 1177 OG SER A 821 24.864 10.223 -24.160 1.00 36.44 O ATOM 1178 HG SER A 821 23.996 10.330 -24.625 1.00 0.00 H ATOM 1179 H SER A 821 22.340 9.983 -23.816 1.00 0.00 H ATOM 1180 N LEU A 822 22.457 10.241 -20.483 1.00 33.46 N ATOM 1181 CA LEU A 822 22.103 10.469 -19.086 1.00 34.64 C ATOM 1182 C LEU A 822 21.406 9.252 -18.485 1.00 39.77 C ATOM 1183 O LEU A 822 21.661 8.885 -17.330 1.00 34.40 O ATOM 1184 CB LEU A 822 21.217 11.712 -18.999 1.00 34.82 C ATOM 1185 CG LEU A 822 20.897 12.414 -17.683 1.00 31.97 C ATOM 1186 CD1 LEU A 822 22.146 12.927 -16.997 1.00 25.33 C ATOM 1187 CD2 LEU A 822 19.935 13.561 -17.976 1.00 25.85 C ATOM 1188 H LEU A 822 21.966 10.775 -21.228 1.00 0.00 H ATOM 1189 N ASN A 823 20.523 8.608 -19.257 1.00 32.26 N ATOM 1190 CA ASN A 823 19.841 7.414 -18.770 1.00 34.18 C ATOM 1191 C ASN A 823 20.800 6.242 -18.585 1.00 42.97 C ATOM 1192 O ASN A 823 20.612 5.426 -17.674 1.00 44.22 O ATOM 1193 CB ASN A 823 18.717 7.024 -19.727 1.00 31.71 C ATOM 1194 CG ASN A 823 17.865 5.890 -19.190 1.00 42.64 C ATOM 1195 OD1 ASN A 823 17.168 6.042 -18.181 1.00 43.20 O ATOM 1196 ND2 ASN A 823 17.914 4.748 -19.864 1.00 38.90 N ATOM 1197 HD22 ASN A 823 18.516 4.668 -20.708 1.00 0.00 H ATOM 1198 HD21 ASN A 823 17.350 3.933 -19.548 1.00 0.00 H ATOM 1199 H ASN A 823 20.321 8.962 -20.214 1.00 0.00 H ATOM 1200 N GLU A 824 21.810 6.123 -19.440 1.00 39.70 N ATOM 1201 CA GLU A 824 22.838 5.112 -19.255 1.00 41.62 C ATOM 1202 C GLU A 824 23.909 5.558 -18.280 1.00 47.17 C ATOM 1203 O GLU A 824 24.885 4.830 -18.077 1.00 44.71 O ATOM 1204 CB GLU A 824 23.448 4.740 -20.607 1.00 32.86 C ATOM 1205 CG GLU A 824 22.428 4.017 -21.481 1.00 41.10 C ATOM 1206 CD GLU A 824 22.878 3.838 -22.907 1.00 47.03 C ATOM 1207 OE1 GLU A 824 23.947 4.368 -23.265 1.00 48.08 O ATOM 1208 OE2 GLU A 824 22.158 3.160 -23.670 1.00 56.11 O ATOM 1209 H GLU A 824 21.866 6.765 -20.256 1.00 0.00 H ATOM 1210 N GLN A 825 23.730 6.733 -17.672 1.00 42.24 N ATOM 1211 CA GLN A 825 24.657 7.263 -16.672 1.00 45.21 C ATOM 1212 C GLN A 825 26.085 7.343 -17.213 1.00 44.37 C ATOM 1213 O GLN A 825 27.062 7.159 -16.487 1.00 44.87 O ATOM 1214 CB GLN A 825 24.580 6.453 -15.376 1.00 42.66 C ATOM 1215 CG GLN A 825 23.186 6.548 -14.725 1.00 46.01 C ATOM 1216 CD GLN A 825 23.062 5.747 -13.439 1.00 53.07 C ATOM 1217 OE1 GLN A 825 23.812 5.952 -12.486 1.00 56.89 O ATOM 1218 NE2 GLN A 825 22.107 4.833 -13.410 1.00 53.36 N ATOM 1219 HE22 GLN A 825 21.495 4.693 -14.240 1.00 0.00 H ATOM 1220 HE21 GLN A 825 21.967 4.254 -12.558 1.00 0.00 H ATOM 1221 H GLN A 825 22.893 7.298 -17.921 1.00 0.00 H ATOM 1222 N THR A 826 26.197 7.674 -18.505 1.00 46.50 N ATOM 1223 CA THR A 826 27.496 7.882 -19.142 1.00 46.95 C ATOM 1224 C THR A 826 28.236 9.082 -18.558 1.00 43.19 C ATOM 1225 O THR A 826 29.470 9.076 -18.487 1.00 49.36 O ATOM 1226 CB THR A 826 27.299 8.067 -20.651 1.00 53.60 C ATOM 1227 OG1 THR A 826 26.542 6.967 -21.173 1.00 60.83 O ATOM 1228 CG2 THR A 826 28.625 8.127 -21.368 1.00 61.00 C ATOM 1229 HG1 THR A 826 25.659 6.934 -20.726 1.00 0.00 H ATOM 1230 H THR A 826 25.333 7.787 -19.073 1.00 0.00 H ATOM 1231 N TYR A 827 27.518 10.126 -18.162 1.00 36.15 N ATOM 1232 CA TYR A 827 28.152 11.292 -17.565 1.00 33.74 C ATOM 1233 C TYR A 827 28.531 10.979 -16.126 1.00 39.16 C ATOM 1234 O TYR A 827 27.675 10.592 -15.324 1.00 43.66 O ATOM 1235 CB TYR A 827 27.224 12.502 -17.613 1.00 31.39 C ATOM 1236 CG TYR A 827 26.720 12.841 -18.990 1.00 30.64 C ATOM 1237 CD1 TYR A 827 27.602 13.193 -20.007 1.00 30.04 C ATOM 1238 CD2 TYR A 827 25.361 12.841 -19.269 1.00 26.77 C ATOM 1239 CE1 TYR A 827 27.147 13.513 -21.270 1.00 31.68 C ATOM 1240 CE2 TYR A 827 24.895 13.170 -20.529 1.00 29.55 C ATOM 1241 CZ TYR A 827 25.789 13.502 -21.526 1.00 33.53 C ATOM 1242 OH TYR A 827 25.327 13.830 -22.781 1.00 31.44 O ATOM 1243 HH TYR A 827 26.095 14.040 -23.370 1.00 0.00 H ATOM 1244 H TYR A 827 26.485 10.110 -18.280 1.00 0.00 H ATOM 1245 N THR A 828 29.811 11.150 -15.797 1.00 40.92 N ATOM 1246 CA THR A 828 30.270 10.945 -14.432 1.00 35.84 C ATOM 1247 C THR A 828 30.353 12.241 -13.646 1.00 36.05 C ATOM 1248 O THR A 828 30.437 12.198 -12.416 1.00 40.34 O ATOM 1249 CB THR A 828 31.637 10.241 -14.425 1.00 40.30 C ATOM 1250 OG1 THR A 828 32.595 11.030 -15.137 1.00 49.76 O ATOM 1251 CG2 THR A 828 31.530 8.886 -15.102 1.00 43.09 C ATOM 1252 HG1 THR A 828 33.472 10.570 -15.128 1.00 0.00 H ATOM 1253 H THR A 828 30.493 11.435 -16.528 1.00 0.00 H ATOM 1254 N ARG A 829 30.325 13.386 -14.323 1.00 37.23 N ATOM 1255 CA ARG A 829 30.313 14.682 -13.667 1.00 28.70 C ATOM 1256 C ARG A 829 29.214 15.531 -14.285 1.00 31.15 C ATOM 1257 O ARG A 829 28.829 15.322 -15.438 1.00 35.40 O ATOM 1258 CB ARG A 829 31.680 15.390 -13.790 1.00 29.33 C ATOM 1259 CG ARG A 829 32.850 14.504 -13.328 1.00 42.49 C ATOM 1260 CD ARG A 829 34.078 15.298 -12.910 1.00 53.06 C ATOM 1261 NE ARG A 829 35.079 14.405 -12.329 1.00 62.93 N ATOM 1262 CZ ARG A 829 35.079 14.002 -11.059 1.00 64.01 C ATOM 1263 NH1 ARG A 829 36.020 13.174 -10.620 1.00 70.62 N ATOM 1264 NH2 ARG A 829 34.143 14.426 -10.223 1.00 54.32 N ATOM 1265 HE ARG A 829 35.841 14.062 -12.948 1.00 0.00 H ATOM 1266 HH12 ARG A 829 36.016 12.862 -9.628 1.00 0.00 H ATOM 1267 HH11 ARG A 829 36.760 12.838 -11.268 1.00 0.00 H ATOM 1268 HH22 ARG A 829 34.148 14.108 -9.233 1.00 0.00 H ATOM 1269 HH21 ARG A 829 33.403 15.077 -10.557 1.00 0.00 H ATOM 1270 H ARG A 829 30.311 13.352 -15.362 1.00 0.00 H ATOM 1271 N VAL A 830 28.709 16.495 -13.510 1.00 30.62 N ATOM 1272 CA VAL A 830 27.703 17.411 -14.040 1.00 30.91 C ATOM 1273 C VAL A 830 28.209 18.063 -15.320 1.00 34.60 C ATOM 1274 O VAL A 830 27.458 18.221 -16.290 1.00 32.15 O ATOM 1275 CB VAL A 830 27.313 18.457 -12.980 1.00 32.87 C ATOM 1276 CG1 VAL A 830 26.419 19.529 -13.598 1.00 28.33 C ATOM 1277 CG2 VAL A 830 26.581 17.777 -11.826 1.00 29.71 C ATOM 1278 H VAL A 830 29.033 16.593 -12.527 1.00 0.00 H ATOM 1279 N GLU A 831 29.507 18.401 -15.361 1.00 24.91 N ATOM 1280 CA GLU A 831 30.057 19.090 -16.524 1.00 26.12 C ATOM 1281 C GLU A 831 29.877 18.283 -17.799 1.00 21.41 C ATOM 1282 O GLU A 831 29.718 18.863 -18.877 1.00 28.91 O ATOM 1283 CB GLU A 831 31.551 19.401 -16.317 1.00 31.75 C ATOM 1284 CG GLU A 831 32.452 18.171 -16.336 1.00 45.60 C ATOM 1285 CD GLU A 831 33.926 18.500 -16.121 1.00 50.90 C ATOM 1286 OE1 GLU A 831 34.251 19.696 -15.954 1.00 42.16 O ATOM 1287 OE2 GLU A 831 34.750 17.554 -16.122 1.00 51.77 O ATOM 1288 H GLU A 831 30.126 18.170 -14.558 1.00 0.00 H ATOM 1289 N GLY A 832 29.916 16.956 -17.710 1.00 26.48 N ATOM 1290 CA GLY A 832 29.717 16.154 -18.903 1.00 31.07 C ATOM 1291 C GLY A 832 28.357 16.399 -19.528 1.00 32.65 C ATOM 1292 O GLY A 832 28.238 16.544 -20.750 1.00 28.25 O ATOM 1293 H GLY A 832 30.088 16.497 -16.793 1.00 0.00 H ATOM 1294 N PHE A 833 27.315 16.463 -18.692 1.00 30.79 N ATOM 1295 CA PHE A 833 25.974 16.765 -19.184 1.00 24.44 C ATOM 1296 C PHE A 833 25.897 18.193 -19.706 1.00 23.23 C ATOM 1297 O PHE A 833 25.460 18.428 -20.838 1.00 27.82 O ATOM 1298 CB PHE A 833 24.946 16.541 -18.067 1.00 25.93 C ATOM 1299 CG PHE A 833 23.582 17.102 -18.371 1.00 21.31 C ATOM 1300 CD1 PHE A 833 22.703 16.420 -19.195 1.00 24.07 C ATOM 1301 CD2 PHE A 833 23.179 18.313 -17.828 1.00 21.59 C ATOM 1302 CE1 PHE A 833 21.443 16.941 -19.478 1.00 21.21 C ATOM 1303 CE2 PHE A 833 21.930 18.830 -18.104 1.00 18.81 C ATOM 1304 CZ PHE A 833 21.058 18.137 -18.930 1.00 20.69 C ATOM 1305 H PHE A 833 27.462 16.295 -17.676 1.00 0.00 H ATOM 1306 N VAL A 834 26.353 19.158 -18.904 1.00 27.54 N ATOM 1307 CA VAL A 834 26.254 20.563 -19.293 1.00 27.98 C ATOM 1308 C VAL A 834 27.040 20.830 -20.572 1.00 27.32 C ATOM 1309 O VAL A 834 26.614 21.625 -21.424 1.00 26.38 O ATOM 1310 CB VAL A 834 26.724 21.466 -18.142 1.00 25.19 C ATOM 1311 CG1 VAL A 834 26.799 22.914 -18.606 1.00 24.05 C ATOM 1312 CG2 VAL A 834 25.778 21.341 -16.956 1.00 23.16 C ATOM 1313 H VAL A 834 26.784 18.907 -17.991 1.00 0.00 H ATOM 1314 N GLN A 835 28.194 20.169 -20.736 1.00 25.65 N ATOM 1315 CA GLN A 835 29.004 20.403 -21.929 1.00 28.18 C ATOM 1316 C GLN A 835 28.282 19.933 -23.181 1.00 26.74 C ATOM 1317 O GLN A 835 28.313 20.617 -24.212 1.00 24.87 O ATOM 1318 CB GLN A 835 30.362 19.700 -21.813 1.00 31.01 C ATOM 1319 CG GLN A 835 31.410 20.477 -21.017 1.00 43.39 C ATOM 1320 CD GLN A 835 32.683 19.679 -20.769 1.00 47.98 C ATOM 1321 OE1 GLN A 835 32.779 18.503 -21.129 1.00 51.28 O ATOM 1322 NE2 GLN A 835 33.659 20.313 -20.135 1.00 47.65 N ATOM 1323 HE22 GLN A 835 33.535 21.305 -19.850 1.00 0.00 H ATOM 1324 HE21 GLN A 835 34.549 19.818 -19.923 1.00 0.00 H ATOM 1325 H GLN A 835 28.513 19.490 -20.015 1.00 0.00 H ATOM 1326 N ASP A 836 27.647 18.757 -23.118 1.00 23.93 N ATOM 1327 CA ASP A 836 26.909 18.262 -24.278 1.00 26.27 C ATOM 1328 C ASP A 836 25.720 19.158 -24.602 1.00 26.90 C ATOM 1329 O ASP A 836 25.409 19.375 -25.778 1.00 29.26 O ATOM 1330 CB ASP A 836 26.439 16.825 -24.046 1.00 25.78 C ATOM 1331 CG ASP A 836 27.493 15.789 -24.431 1.00 34.12 C ATOM 1332 OD1 ASP A 836 28.565 16.174 -24.935 1.00 30.37 O ATOM 1333 OD2 ASP A 836 27.233 14.584 -24.256 1.00 30.09 O ATOM 1334 H ASP A 836 27.679 18.195 -22.243 1.00 0.00 H ATOM 1335 N MET A 837 25.028 19.668 -23.577 1.00 26.68 N ATOM 1336 CA MET A 837 23.893 20.555 -23.825 1.00 19.74 C ATOM 1337 C MET A 837 24.347 21.843 -24.491 1.00 22.06 C ATOM 1338 O MET A 837 23.732 22.300 -25.457 1.00 24.59 O ATOM 1339 CB MET A 837 23.153 20.861 -22.519 1.00 22.35 C ATOM 1340 CG MET A 837 22.432 19.652 -21.931 1.00 21.58 C ATOM 1341 SD MET A 837 21.049 19.112 -22.974 1.00 26.28 S ATOM 1342 CE MET A 837 19.845 20.382 -22.572 1.00 22.87 C ATOM 1343 H MET A 837 25.298 19.433 -22.601 1.00 0.00 H ATOM 1344 N ARG A 838 25.452 22.420 -24.014 1.00 26.07 N ATOM 1345 CA ARG A 838 25.960 23.649 -24.612 1.00 24.63 C ATOM 1346 C ARG A 838 26.530 23.417 -26.006 1.00 23.84 C ATOM 1347 O ARG A 838 26.504 24.327 -26.844 1.00 29.11 O ATOM 1348 CB ARG A 838 27.013 24.278 -23.690 1.00 25.55 C ATOM 1349 CG ARG A 838 26.394 24.896 -22.430 1.00 24.24 C ATOM 1350 CD ARG A 838 27.436 25.439 -21.464 1.00 27.75 C ATOM 1351 NE ARG A 838 26.823 26.275 -20.431 1.00 25.11 N ATOM 1352 CZ ARG A 838 27.424 26.642 -19.304 1.00 25.51 C ATOM 1353 NH1 ARG A 838 28.675 26.250 -19.043 1.00 25.77 N ATOM 1354 NH2 ARG A 838 26.776 27.408 -18.440 1.00 20.52 N ATOM 1355 HE ARG A 838 25.850 26.605 -20.590 1.00 0.00 H ATOM 1356 HH12 ARG A 838 29.138 26.542 -18.158 1.00 0.00 H ATOM 1357 HH11 ARG A 838 29.186 25.653 -19.724 1.00 0.00 H ATOM 1358 HH22 ARG A 838 27.238 27.700 -17.555 1.00 0.00 H ATOM 1359 HH21 ARG A 838 25.805 27.717 -18.646 1.00 0.00 H ATOM 1360 H ARG A 838 25.954 21.990 -23.211 1.00 0.00 H ATOM 1361 N LEU A 839 27.043 22.220 -26.279 1.00 20.91 N ATOM 1362 CA LEU A 839 27.514 21.913 -27.627 1.00 23.06 C ATOM 1363 C LEU A 839 26.392 22.037 -28.657 1.00 20.23 C ATOM 1364 O LEU A 839 26.620 22.476 -29.790 1.00 26.85 O ATOM 1365 CB LEU A 839 28.100 20.507 -27.649 1.00 23.78 C ATOM 1366 CG LEU A 839 28.668 19.999 -28.961 1.00 32.67 C ATOM 1367 CD1 LEU A 839 29.855 20.857 -29.384 1.00 30.34 C ATOM 1368 CD2 LEU A 839 29.088 18.545 -28.786 1.00 28.95 C ATOM 1369 H LEU A 839 27.109 21.501 -25.530 1.00 0.00 H ATOM 1370 N ILE A 840 25.183 21.619 -28.289 1.00 20.54 N ATOM 1371 CA ILE A 840 24.032 21.728 -29.185 1.00 23.67 C ATOM 1372 C ILE A 840 23.883 23.158 -29.684 1.00 24.40 C ATOM 1373 O ILE A 840 23.689 23.407 -30.878 1.00 29.53 O ATOM 1374 CB ILE A 840 22.758 21.252 -28.467 1.00 24.47 C ATOM 1375 CG1 ILE A 840 22.866 19.761 -28.158 1.00 21.74 C ATOM 1376 CG2 ILE A 840 21.514 21.553 -29.302 1.00 23.93 C ATOM 1377 CD1 ILE A 840 21.713 19.230 -27.303 1.00 18.10 C ATOM 1378 H ILE A 840 25.054 21.206 -27.343 1.00 0.00 H ATOM 1379 N PHE A 841 23.992 24.120 -28.774 1.00 24.84 N ATOM 1380 CA PHE A 841 23.841 25.517 -29.152 1.00 20.98 C ATOM 1381 C PHE A 841 25.101 26.071 -29.802 1.00 25.78 C ATOM 1382 O PHE A 841 25.002 26.892 -30.725 1.00 26.04 O ATOM 1383 CB PHE A 841 23.415 26.292 -27.908 1.00 22.42 C ATOM 1384 CG PHE A 841 22.214 25.666 -27.239 1.00 24.89 C ATOM 1385 CD1 PHE A 841 21.056 25.447 -27.970 1.00 27.67 C ATOM 1386 CD2 PHE A 841 22.260 25.240 -25.926 1.00 24.15 C ATOM 1387 CE1 PHE A 841 19.938 24.840 -27.394 1.00 29.85 C ATOM 1388 CE2 PHE A 841 21.150 24.637 -25.343 1.00 29.81 C ATOM 1389 CZ PHE A 841 19.990 24.434 -26.078 1.00 22.18 C ATOM 1390 H PHE A 841 24.187 23.872 -27.783 1.00 0.00 H ATOM 1391 N HIS A 842 26.282 25.601 -29.373 1.00 26.11 N ATOM 1392 CA HIS A 842 27.528 25.976 -30.045 1.00 31.35 C ATOM 1393 C HIS A 842 27.509 25.579 -31.514 1.00 28.70 C ATOM 1394 O HIS A 842 28.049 26.297 -32.363 1.00 31.68 O ATOM 1395 CB HIS A 842 28.734 25.322 -29.364 1.00 40.59 C ATOM 1396 CG HIS A 842 29.066 25.888 -28.018 1.00 49.66 C ATOM 1397 ND1 HIS A 842 28.657 27.139 -27.608 1.00 48.52 N ATOM 1398 CD2 HIS A 842 29.778 25.369 -26.988 1.00 52.22 C ATOM 1399 CE1 HIS A 842 29.099 27.363 -26.384 1.00 46.35 C ATOM 1400 NE2 HIS A 842 29.778 26.304 -25.983 1.00 43.76 N ATOM 1401 H HIS A 842 26.313 24.962 -28.553 1.00 0.00 H ATOM 1402 N ASN A 843 26.917 24.420 -31.832 1.00 25.32 N ATOM 1403 CA ASN A 843 26.895 23.947 -33.212 1.00 32.47 C ATOM 1404 C ASN A 843 25.971 24.776 -34.106 1.00 29.65 C ATOM 1405 O ASN A 843 26.073 24.688 -35.330 1.00 32.05 O ATOM 1406 CB ASN A 843 26.480 22.471 -33.264 1.00 30.02 C ATOM 1407 CG ASN A 843 27.602 21.532 -32.848 1.00 30.89 C ATOM 1408 OD1 ASN A 843 28.752 21.948 -32.745 1.00 29.06 O ATOM 1409 ND2 ASN A 843 27.272 20.252 -32.616 1.00 23.69 N ATOM 1410 HD22 ASN A 843 26.284 19.944 -32.716 1.00 0.00 H ATOM 1411 HD21 ASN A 843 28.004 19.569 -32.337 1.00 0.00 H ATOM 1412 H ASN A 843 26.468 23.851 -31.086 1.00 0.00 H ATOM 1413 N HIS A 844 25.090 25.586 -33.544 1.00 30.14 N ATOM 1414 CA HIS A 844 24.193 26.411 -34.344 1.00 33.01 C ATOM 1415 C HIS A 844 24.532 27.886 -34.140 1.00 30.54 C ATOM 1416 O HIS A 844 23.803 28.651 -33.507 1.00 38.58 O ATOM 1417 CB HIS A 844 22.743 26.088 -33.990 1.00 32.53 C ATOM 1418 CG HIS A 844 22.362 24.679 -34.306 1.00 44.49 C ATOM 1419 ND1 HIS A 844 22.611 23.631 -33.445 1.00 47.79 N ATOM 1420 CD2 HIS A 844 21.793 24.134 -35.407 1.00 53.46 C ATOM 1421 CE1 HIS A 844 22.197 22.504 -33.996 1.00 49.06 C ATOM 1422 NE2 HIS A 844 21.695 22.782 -35.186 1.00 55.22 N ATOM 1423 H HIS A 844 25.036 25.636 -32.507 1.00 0.00 H ATOM 1424 N LYS A 845 25.653 28.297 -34.717 1.00 32.79 N ATOM 1425 CA LYS A 845 26.040 29.699 -34.635 1.00 31.99 C ATOM 1426 C LYS A 845 26.171 30.287 -36.033 1.00 31.09 C ATOM 1427 O LYS A 845 27.191 30.898 -36.372 1.00 31.55 O ATOM 1428 CB LYS A 845 27.341 29.863 -33.841 1.00 35.70 C ATOM 1429 CG LYS A 845 27.204 29.656 -32.322 1.00 36.73 C ATOM 1430 CD LYS A 845 26.114 30.543 -31.710 1.00 47.03 C ATOM 1431 CE LYS A 845 26.033 30.383 -30.183 1.00 47.87 C ATOM 1432 NZ LYS A 845 24.803 31.045 -29.601 1.00 37.79 N ATOM 1433 HZ1 LYS A 845 24.822 32.062 -29.818 1.00 0.00 H ATOM 1434 HZ2 LYS A 845 23.951 30.617 -30.016 1.00 0.00 H ATOM 1435 HZ3 LYS A 845 24.793 30.910 -28.570 1.00 0.00 H ATOM 1436 H LYS A 845 26.255 27.620 -35.227 1.00 0.00 H ATOM 1437 N GLU A 846 25.121 30.144 -36.840 1.00 33.13 N ATOM 1438 CA GLU A 846 25.084 30.710 -38.183 1.00 36.61 C ATOM 1439 C GLU A 846 23.710 31.321 -38.424 1.00 29.54 C ATOM 1440 O GLU A 846 22.703 30.749 -38.008 1.00 32.62 O ATOM 1441 CB GLU A 846 25.390 29.628 -39.226 1.00 45.78 C ATOM 1442 CG GLU A 846 25.882 30.131 -40.553 1.00 55.29 C ATOM 1443 CD GLU A 846 26.237 28.990 -41.484 1.00 64.95 C ATOM 1444 OE1 GLU A 846 25.896 27.830 -41.154 1.00 66.34 O ATOM 1445 OE2 GLU A 846 26.855 29.252 -42.540 1.00 65.97 O ATOM 1446 H GLU A 846 24.297 29.609 -36.499 1.00 0.00 H ATOM 1447 N PHE A 847 23.672 32.500 -39.063 1.00 28.86 N ATOM 1448 CA PHE A 847 22.397 33.117 -39.419 1.00 30.56 C ATOM 1449 C PHE A 847 21.652 32.209 -40.392 1.00 32.05 C ATOM 1450 O PHE A 847 22.202 31.824 -41.427 1.00 32.62 O ATOM 1451 CB PHE A 847 22.619 34.496 -40.058 1.00 26.31 C ATOM 1452 CG PHE A 847 22.961 35.607 -39.078 1.00 22.59 C ATOM 1453 CD1 PHE A 847 22.338 35.696 -37.841 1.00 22.43 C ATOM 1454 CD2 PHE A 847 23.900 36.573 -39.419 1.00 27.45 C ATOM 1455 CE1 PHE A 847 22.648 36.715 -36.967 1.00 22.23 C ATOM 1456 CE2 PHE A 847 24.222 37.600 -38.548 1.00 25.37 C ATOM 1457 CZ PHE A 847 23.604 37.680 -37.327 1.00 23.40 C ATOM 1458 H PHE A 847 24.561 32.980 -39.308 1.00 0.00 H ATOM 1459 N TYR A 848 20.415 31.853 -40.057 1.00 33.65 N ATOM 1460 CA TYR A 848 19.564 31.102 -40.973 1.00 34.74 C ATOM 1461 C TYR A 848 18.928 32.036 -41.995 1.00 37.64 C ATOM 1462 O TYR A 848 18.693 33.218 -41.721 1.00 35.02 O ATOM 1463 CB TYR A 848 18.470 30.350 -40.208 1.00 29.96 C ATOM 1464 CG TYR A 848 18.975 29.078 -39.564 1.00 30.00 C ATOM 1465 CD1 TYR A 848 19.127 27.911 -40.309 1.00 32.80 C ATOM 1466 CD2 TYR A 848 19.325 29.049 -38.224 1.00 28.07 C ATOM 1467 CE1 TYR A 848 19.612 26.743 -39.730 1.00 35.30 C ATOM 1468 CE2 TYR A 848 19.813 27.891 -37.633 1.00 33.69 C ATOM 1469 CZ TYR A 848 19.951 26.740 -38.389 1.00 40.33 C ATOM 1470 OH TYR A 848 20.426 25.589 -37.799 1.00 40.56 O ATOM 1471 HH TYR A 848 20.463 24.865 -38.473 1.00 0.00 H ATOM 1472 H TYR A 848 20.046 32.116 -39.121 1.00 0.00 H ATOM 1473 N ARG A 849 18.652 31.497 -43.189 1.00 35.34 N ATOM 1474 CA ARG A 849 17.955 32.294 -44.196 1.00 34.69 C ATOM 1475 C ARG A 849 16.648 32.842 -43.643 1.00 34.90 C ATOM 1476 O ARG A 849 16.318 34.018 -43.850 1.00 35.31 O ATOM 1477 CB ARG A 849 17.692 31.472 -45.450 1.00 48.93 C ATOM 1478 CG ARG A 849 16.956 32.265 -46.524 1.00 59.34 C ATOM 1479 CD ARG A 849 16.430 31.364 -47.622 1.00 59.35 C ATOM 1480 NE ARG A 849 17.510 30.746 -48.384 1.00 62.72 N ATOM 1481 CZ ARG A 849 17.345 29.714 -49.205 1.00 62.73 C ATOM 1482 NH1 ARG A 849 18.382 29.215 -49.865 1.00 61.02 N ATOM 1483 NH2 ARG A 849 16.140 29.178 -49.364 1.00 58.68 N ATOM 1484 HE ARG A 849 18.468 31.137 -48.278 1.00 0.00 H ATOM 1485 HH12 ARG A 849 18.250 28.407 -50.507 1.00 0.00 H ATOM 1486 HH11 ARG A 849 19.327 29.631 -49.741 1.00 0.00 H ATOM 1487 HH22 ARG A 849 16.011 28.370 -50.006 1.00 0.00 H ATOM 1488 HH21 ARG A 849 15.326 29.566 -48.846 1.00 0.00 H ATOM 1489 H ARG A 849 18.932 30.517 -43.398 1.00 0.00 H ATOM 1490 N GLU A 850 15.911 32.019 -42.906 1.00 34.44 N ATOM 1491 CA GLU A 850 14.692 32.443 -42.235 1.00 38.30 C ATOM 1492 C GLU A 850 15.020 32.744 -40.778 1.00 39.19 C ATOM 1493 O GLU A 850 15.411 31.842 -40.027 1.00 44.16 O ATOM 1494 CB GLU A 850 13.617 31.366 -42.361 1.00 42.54 C ATOM 1495 CG GLU A 850 13.379 30.956 -43.816 1.00 54.69 C ATOM 1496 CD GLU A 850 12.367 29.832 -43.969 1.00 62.11 C ATOM 1497 OE1 GLU A 850 12.765 28.650 -43.901 1.00 69.05 O ATOM 1498 OE2 GLU A 850 11.172 30.134 -44.156 1.00 58.82 O ATOM 1499 H GLU A 850 16.218 31.031 -42.804 1.00 0.00 H ATOM 1500 N ASP A 851 14.860 34.013 -40.386 1.00 42.46 N ATOM 1501 CA ASP A 851 15.294 34.466 -39.065 1.00 38.49 C ATOM 1502 C ASP A 851 14.675 33.647 -37.938 1.00 40.82 C ATOM 1503 O ASP A 851 15.293 33.481 -36.879 1.00 36.44 O ATOM 1504 CB ASP A 851 14.949 35.948 -38.882 1.00 36.06 C ATOM 1505 CG ASP A 851 15.852 36.866 -39.690 1.00 44.90 C ATOM 1506 OD1 ASP A 851 17.071 36.576 -39.793 1.00 46.23 O ATOM 1507 OD2 ASP A 851 15.343 37.880 -40.222 1.00 44.74 O ATOM 1508 H ASP A 851 14.417 34.693 -41.036 1.00 0.00 H ATOM 1509 N LYS A 852 13.461 33.126 -38.142 1.00 33.74 N ATOM 1510 CA LYS A 852 12.792 32.390 -37.074 1.00 33.81 C ATOM 1511 C LYS A 852 13.600 31.176 -36.630 1.00 26.51 C ATOM 1512 O LYS A 852 13.539 30.791 -35.459 1.00 33.38 O ATOM 1513 CB LYS A 852 11.384 31.972 -37.513 1.00 35.35 C ATOM 1514 CG LYS A 852 11.338 31.182 -38.805 1.00 46.10 C ATOM 1515 CD LYS A 852 10.076 30.328 -38.888 1.00 55.84 C ATOM 1516 CE LYS A 852 9.236 30.668 -40.112 1.00 65.96 C ATOM 1517 NZ LYS A 852 10.016 30.580 -41.381 1.00 73.06 N ATOM 1518 HZ1 LYS A 852 10.813 31.247 -41.343 1.00 0.00 H ATOM 1519 HZ2 LYS A 852 10.377 29.612 -41.498 1.00 0.00 H ATOM 1520 HZ3 LYS A 852 9.399 30.821 -42.183 1.00 0.00 H ATOM 1521 H LYS A 852 12.993 33.245 -39.063 1.00 0.00 H ATOM 1522 N PHE A 853 14.376 30.573 -37.533 1.00 24.02 N ATOM 1523 CA PHE A 853 15.188 29.425 -37.138 1.00 26.70 C ATOM 1524 C PHE A 853 16.390 29.850 -36.312 1.00 34.75 C ATOM 1525 O PHE A 853 16.813 29.117 -35.409 1.00 34.65 O ATOM 1526 CB PHE A 853 15.624 28.649 -38.372 1.00 29.91 C ATOM 1527 CG PHE A 853 14.472 28.020 -39.115 1.00 45.39 C ATOM 1528 CD1 PHE A 853 13.427 27.427 -38.419 1.00 52.14 C ATOM 1529 CD2 PHE A 853 14.418 28.042 -40.499 1.00 47.74 C ATOM 1530 CE1 PHE A 853 12.349 26.847 -39.091 1.00 53.94 C ATOM 1531 CE2 PHE A 853 13.348 27.466 -41.175 1.00 49.21 C ATOM 1532 CZ PHE A 853 12.312 26.869 -40.469 1.00 48.43 C ATOM 1533 H PHE A 853 14.402 30.919 -38.513 1.00 0.00 H ATOM 1534 N THR A 854 16.953 31.022 -36.611 1.00 28.93 N ATOM 1535 CA THR A 854 18.024 31.570 -35.787 1.00 27.30 C ATOM 1536 C THR A 854 17.514 31.899 -34.395 1.00 23.65 C ATOM 1537 O THR A 854 18.146 31.547 -33.395 1.00 27.76 O ATOM 1538 CB THR A 854 18.597 32.827 -36.439 1.00 32.96 C ATOM 1539 OG1 THR A 854 18.973 32.543 -37.796 1.00 36.09 O ATOM 1540 CG2 THR A 854 19.812 33.305 -35.652 1.00 33.40 C ATOM 1541 HG1 THR A 854 19.343 33.361 -38.213 1.00 0.00 H ATOM 1542 H THR A 854 16.624 31.552 -37.443 1.00 0.00 H ATOM 1543 N ARG A 855 16.365 32.584 -34.314 1.00 22.56 N ATOM 1544 CA ARG A 855 15.799 32.959 -33.023 1.00 28.83 C ATOM 1545 C ARG A 855 15.449 31.743 -32.189 1.00 27.13 C ATOM 1546 O ARG A 855 15.405 31.832 -30.957 1.00 27.82 O ATOM 1547 CB ARG A 855 14.545 33.812 -33.216 1.00 34.98 C ATOM 1548 CG ARG A 855 14.794 35.124 -33.910 1.00 40.54 C ATOM 1549 CD ARG A 855 13.692 36.116 -33.598 1.00 47.97 C ATOM 1550 NE ARG A 855 12.422 35.706 -34.174 1.00 50.76 N ATOM 1551 CZ ARG A 855 12.070 35.967 -35.426 1.00 51.18 C ATOM 1552 NH1 ARG A 855 10.891 35.559 -35.888 1.00 46.52 N ATOM 1553 NH2 ARG A 855 12.907 36.633 -36.214 1.00 41.32 N ATOM 1554 HE ARG A 855 11.755 35.181 -33.573 1.00 0.00 H ATOM 1555 HH12 ARG A 855 10.618 35.765 -36.870 1.00 0.00 H ATOM 1556 HH11 ARG A 855 10.243 35.034 -35.267 1.00 0.00 H ATOM 1557 HH22 ARG A 855 12.640 36.842 -37.197 1.00 0.00 H ATOM 1558 HH21 ARG A 855 13.829 36.945 -35.848 1.00 0.00 H ATOM 1559 H ARG A 855 15.868 32.853 -35.187 1.00 0.00 H ATOM 1560 N LEU A 856 15.212 30.614 -32.848 1.00 28.79 N ATOM 1561 CA LEU A 856 14.815 29.389 -32.177 1.00 34.09 C ATOM 1562 C LEU A 856 15.919 28.879 -31.263 1.00 29.84 C ATOM 1563 O LEU A 856 15.693 28.635 -30.071 1.00 31.26 O ATOM 1564 CB LEU A 856 14.457 28.352 -33.240 1.00 36.72 C ATOM 1565 CG LEU A 856 13.361 27.361 -32.920 1.00 46.97 C ATOM 1566 CD1 LEU A 856 12.781 26.871 -34.223 1.00 43.00 C ATOM 1567 CD2 LEU A 856 13.986 26.230 -32.138 1.00 52.63 C ATOM 1568 H LEU A 856 15.315 30.607 -33.883 1.00 0.00 H ATOM 1569 N GLY A 857 17.120 28.681 -31.818 1.00 23.56 N ATOM 1570 CA GLY A 857 18.239 28.241 -31.001 1.00 23.39 C ATOM 1571 C GLY A 857 18.575 29.228 -29.904 1.00 20.56 C ATOM 1572 O GLY A 857 18.928 28.838 -28.787 1.00 22.30 O ATOM 1573 H GLY A 857 17.253 28.842 -32.837 1.00 0.00 H ATOM 1574 N ILE A 858 18.447 30.520 -30.203 1.00 23.55 N ATOM 1575 CA ILE A 858 18.713 31.560 -29.214 1.00 21.93 C ATOM 1576 C ILE A 858 17.808 31.389 -28.009 1.00 23.93 C ATOM 1577 O ILE A 858 18.250 31.484 -26.855 1.00 21.27 O ATOM 1578 CB ILE A 858 18.536 32.942 -29.866 1.00 20.37 C ATOM 1579 CG1 ILE A 858 19.728 33.233 -30.780 1.00 26.57 C ATOM 1580 CG2 ILE A 858 18.385 34.037 -28.808 1.00 21.39 C ATOM 1581 CD1 ILE A 858 19.467 34.353 -31.757 1.00 26.44 C ATOM 1582 H ILE A 858 18.151 30.793 -31.162 1.00 0.00 H ATOM 1583 N GLN A 859 16.527 31.121 -28.259 1.00 28.17 N ATOM 1584 CA GLN A 859 15.543 31.001 -27.193 1.00 18.50 C ATOM 1585 C GLN A 859 15.685 29.683 -26.428 1.00 14.63 C ATOM 1586 O GLN A 859 15.590 29.670 -25.197 1.00 21.82 O ATOM 1587 CB GLN A 859 14.139 31.170 -27.785 1.00 19.98 C ATOM 1588 CG GLN A 859 13.899 32.593 -28.325 1.00 32.95 C ATOM 1589 CD GLN A 859 12.770 32.689 -29.355 1.00 46.10 C ATOM 1590 OE1 GLN A 859 11.999 31.752 -29.543 1.00 52.29 O ATOM 1591 NE2 GLN A 859 12.680 33.833 -30.030 1.00 48.19 N ATOM 1592 HE22 GLN A 859 13.353 34.603 -29.841 1.00 0.00 H ATOM 1593 HE21 GLN A 859 11.937 33.957 -30.747 1.00 0.00 H ATOM 1594 H GLN A 859 16.221 30.994 -29.245 1.00 0.00 H ATOM 1595 N VAL A 860 15.961 28.573 -27.112 1.00 18.32 N ATOM 1596 CA VAL A 860 16.166 27.316 -26.382 1.00 15.01 C ATOM 1597 C VAL A 860 17.445 27.385 -25.544 1.00 20.77 C ATOM 1598 O VAL A 860 17.480 26.924 -24.395 1.00 20.62 O ATOM 1599 CB VAL A 860 16.163 26.127 -27.357 1.00 17.07 C ATOM 1600 CG1 VAL A 860 16.464 24.807 -26.616 1.00 23.36 C ATOM 1601 CG2 VAL A 860 14.797 26.023 -28.061 1.00 13.50 C ATOM 1602 H VAL A 860 16.030 28.597 -28.149 1.00 0.00 H ATOM 1603 N GLN A 861 18.500 28.004 -26.076 1.00 18.41 N ATOM 1604 CA GLN A 861 19.715 28.168 -25.279 1.00 18.41 C ATOM 1605 C GLN A 861 19.430 28.962 -24.023 1.00 18.21 C ATOM 1606 O GLN A 861 19.916 28.626 -22.938 1.00 17.12 O ATOM 1607 CB GLN A 861 20.806 28.873 -26.086 1.00 13.66 C ATOM 1608 CG GLN A 861 22.087 29.056 -25.296 1.00 17.18 C ATOM 1609 CD GLN A 861 23.074 29.969 -25.997 1.00 24.69 C ATOM 1610 OE1 GLN A 861 22.697 30.819 -26.804 1.00 25.67 O ATOM 1611 NE2 GLN A 861 24.340 29.799 -25.685 1.00 19.54 N ATOM 1612 HE22 GLN A 861 24.612 29.068 -24.997 1.00 0.00 H ATOM 1613 HE21 GLN A 861 25.069 30.396 -26.126 1.00 0.00 H ATOM 1614 H GLN A 861 18.459 28.367 -27.050 1.00 0.00 H ATOM 1615 N ASP A 862 18.635 30.022 -24.157 1.00 21.33 N ATOM 1616 CA ASP A 862 18.273 30.835 -23.008 1.00 22.26 C ATOM 1617 C ASP A 862 17.484 30.018 -21.994 1.00 23.31 C ATOM 1618 O ASP A 862 17.695 30.149 -20.782 1.00 26.47 O ATOM 1619 CB ASP A 862 17.463 32.044 -23.481 1.00 28.94 C ATOM 1620 CG ASP A 862 17.683 33.274 -22.624 1.00 36.38 C ATOM 1621 OD1 ASP A 862 18.521 33.224 -21.697 1.00 37.28 O ATOM 1622 OD2 ASP A 862 17.028 34.303 -22.895 1.00 38.42 O ATOM 1623 H ASP A 862 18.268 30.272 -25.097 1.00 0.00 H ATOM 1624 N ILE A 863 16.570 29.167 -22.475 1.00 22.92 N ATOM 1625 CA ILE A 863 15.788 28.302 -21.587 1.00 24.67 C ATOM 1626 C ILE A 863 16.708 27.376 -20.806 1.00 21.94 C ATOM 1627 O ILE A 863 16.542 27.166 -19.600 1.00 20.16 O ATOM 1628 CB ILE A 863 14.756 27.498 -22.401 1.00 26.07 C ATOM 1629 CG1 ILE A 863 13.664 28.426 -22.941 1.00 32.36 C ATOM 1630 CG2 ILE A 863 14.172 26.348 -21.574 1.00 34.64 C ATOM 1631 CD1 ILE A 863 12.856 29.103 -21.854 1.00 42.75 C ATOM 1632 H ILE A 863 16.411 29.118 -23.502 1.00 0.00 H ATOM 1633 N PHE A 864 17.689 26.797 -21.489 1.00 23.42 N ATOM 1634 CA PHE A 864 18.617 25.912 -20.803 1.00 21.88 C ATOM 1635 C PHE A 864 19.394 26.655 -19.727 1.00 17.94 C ATOM 1636 O PHE A 864 19.501 26.186 -18.586 1.00 20.82 O ATOM 1637 CB PHE A 864 19.584 25.277 -21.794 1.00 21.72 C ATOM 1638 CG PHE A 864 20.696 24.562 -21.120 1.00 27.48 C ATOM 1639 CD1 PHE A 864 20.468 23.342 -20.521 1.00 23.88 C ATOM 1640 CD2 PHE A 864 21.952 25.137 -21.023 1.00 24.21 C ATOM 1641 CE1 PHE A 864 21.480 22.688 -19.873 1.00 23.08 C ATOM 1642 CE2 PHE A 864 22.966 24.475 -20.378 1.00 25.55 C ATOM 1643 CZ PHE A 864 22.728 23.251 -19.803 1.00 21.40 C ATOM 1644 H PHE A 864 17.793 26.975 -22.508 1.00 0.00 H ATOM 1645 N GLU A 865 19.972 27.805 -20.078 1.00 20.93 N ATOM 1646 CA GLU A 865 20.870 28.488 -19.147 1.00 26.54 C ATOM 1647 C GLU A 865 20.114 29.037 -17.941 1.00 24.10 C ATOM 1648 O GLU A 865 20.614 28.975 -16.814 1.00 21.97 O ATOM 1649 CB GLU A 865 21.636 29.608 -19.862 1.00 22.98 C ATOM 1650 CG GLU A 865 22.641 29.117 -20.930 1.00 23.32 C ATOM 1651 CD GLU A 865 23.811 28.306 -20.361 1.00 28.26 C ATOM 1652 OE1 GLU A 865 24.122 28.422 -19.158 1.00 26.91 O ATOM 1653 OE2 GLU A 865 24.436 27.542 -21.130 1.00 27.83 O ATOM 1654 H GLU A 865 19.784 28.216 -21.015 1.00 0.00 H ATOM 1655 N LYS A 866 18.912 29.581 -18.154 1.00 19.72 N ATOM 1656 CA LYS A 866 18.101 30.028 -17.026 1.00 19.87 C ATOM 1657 C LYS A 866 17.778 28.866 -16.086 1.00 23.88 C ATOM 1658 O LYS A 866 17.948 28.970 -14.866 1.00 24.85 O ATOM 1659 CB LYS A 866 16.812 30.681 -17.534 1.00 17.91 C ATOM 1660 CG LYS A 866 17.017 31.961 -18.316 1.00 27.63 C ATOM 1661 CD LYS A 866 15.682 32.606 -18.701 1.00 34.82 C ATOM 1662 CE LYS A 866 15.905 33.929 -19.429 1.00 39.46 C ATOM 1663 NZ LYS A 866 14.636 34.632 -19.763 1.00 43.31 N ATOM 1664 HZ1 LYS A 866 14.057 34.026 -20.379 1.00 0.00 H ATOM 1665 HZ2 LYS A 866 14.114 34.837 -18.887 1.00 0.00 H ATOM 1666 HZ3 LYS A 866 14.853 35.522 -20.255 1.00 0.00 H ATOM 1667 H LYS A 866 18.554 29.686 -19.125 1.00 0.00 H ATOM 1668 N ASN A 867 17.329 27.736 -16.640 1.00 22.27 N ATOM 1669 CA ASN A 867 16.981 26.599 -15.790 1.00 23.20 C ATOM 1670 C ASN A 867 18.219 26.011 -15.119 1.00 24.36 C ATOM 1671 O ASN A 867 18.157 25.541 -13.973 1.00 21.23 O ATOM 1672 CB ASN A 867 16.257 25.531 -16.609 1.00 19.97 C ATOM 1673 CG ASN A 867 14.763 25.832 -16.797 1.00 24.11 C ATOM 1674 OD1 ASN A 867 13.968 25.669 -15.874 1.00 21.77 O ATOM 1675 ND2 ASN A 867 14.385 26.252 -17.998 1.00 17.15 N ATOM 1676 HD22 ASN A 867 15.091 26.377 -18.751 1.00 0.00 H ATOM 1677 HD21 ASN A 867 13.383 26.456 -18.186 1.00 0.00 H ATOM 1678 H ASN A 867 17.227 27.666 -17.673 1.00 0.00 H ATOM 1679 N PHE A 868 19.347 26.006 -15.822 1.00 20.11 N ATOM 1680 CA PHE A 868 20.571 25.467 -15.235 1.00 22.08 C ATOM 1681 C PHE A 868 20.932 26.217 -13.961 1.00 23.11 C ATOM 1682 O PHE A 868 21.239 25.609 -12.930 1.00 26.51 O ATOM 1683 CB PHE A 868 21.701 25.537 -16.261 1.00 21.61 C ATOM 1684 CG PHE A 868 23.062 25.215 -15.705 1.00 25.39 C ATOM 1685 CD1 PHE A 868 23.281 24.058 -14.986 1.00 24.12 C ATOM 1686 CD2 PHE A 868 24.127 26.070 -15.928 1.00 24.66 C ATOM 1687 CE1 PHE A 868 24.554 23.754 -14.482 1.00 31.51 C ATOM 1688 CE2 PHE A 868 25.396 25.771 -15.432 1.00 32.76 C ATOM 1689 CZ PHE A 868 25.603 24.606 -14.714 1.00 28.04 C ATOM 1690 H PHE A 868 19.358 26.386 -16.790 1.00 0.00 H ATOM 1691 N ARG A 869 20.861 27.542 -13.997 1.00 24.34 N ATOM 1692 CA ARG A 869 21.211 28.298 -12.801 1.00 23.88 C ATOM 1693 C ARG A 869 20.119 28.247 -11.741 1.00 29.23 C ATOM 1694 O ARG A 869 20.437 28.210 -10.551 1.00 27.60 O ATOM 1695 CB ARG A 869 21.559 29.727 -13.193 1.00 27.48 C ATOM 1696 CG ARG A 869 22.912 29.739 -13.898 1.00 32.21 C ATOM 1697 CD ARG A 869 23.263 31.060 -14.449 1.00 36.89 C ATOM 1698 NE ARG A 869 24.535 31.016 -15.159 1.00 42.47 N ATOM 1699 CZ ARG A 869 24.695 30.546 -16.393 1.00 46.06 C ATOM 1700 NH1 ARG A 869 25.892 30.578 -16.958 1.00 47.57 N ATOM 1701 NH2 ARG A 869 23.668 30.036 -17.061 1.00 45.13 N ATOM 1702 HE ARG A 869 25.377 31.377 -14.666 1.00 0.00 H ATOM 1703 HH12 ARG A 869 26.022 30.212 -17.923 1.00 0.00 H ATOM 1704 HH11 ARG A 869 26.703 30.970 -16.437 1.00 0.00 H ATOM 1705 HH22 ARG A 869 23.804 29.671 -18.025 1.00 0.00 H ATOM 1706 HH21 ARG A 869 22.727 30.001 -16.620 1.00 0.00 H ATOM 1707 H ARG A 869 20.561 28.032 -14.864 1.00 0.00 H ATOM 1708 N ASN A 870 18.840 28.203 -12.134 1.00 27.84 N ATOM 1709 CA ASN A 870 17.782 28.077 -11.132 1.00 29.61 C ATOM 1710 C ASN A 870 17.836 26.720 -10.433 1.00 27.85 C ATOM 1711 O ASN A 870 17.765 26.646 -9.202 1.00 32.10 O ATOM 1712 CB ASN A 870 16.408 28.284 -11.773 1.00 29.96 C ATOM 1713 CG ASN A 870 16.239 29.670 -12.362 1.00 38.27 C ATOM 1714 OD1 ASN A 870 16.904 30.618 -11.949 1.00 43.14 O ATOM 1715 ND2 ASN A 870 15.346 29.793 -13.337 1.00 39.23 N ATOM 1716 HD22 ASN A 870 14.806 28.963 -13.655 1.00 0.00 H ATOM 1717 HD21 ASN A 870 15.187 30.719 -13.783 1.00 0.00 H ATOM 1718 H ASN A 870 18.600 28.258 -13.145 1.00 0.00 H ATOM 1719 N ILE A 871 17.991 25.641 -11.198 1.00 24.88 N ATOM 1720 CA ILE A 871 17.890 24.297 -10.638 1.00 25.06 C ATOM 1721 C ILE A 871 19.078 23.992 -9.743 1.00 28.25 C ATOM 1722 O ILE A 871 18.933 23.364 -8.689 1.00 24.20 O ATOM 1723 CB ILE A 871 17.757 23.277 -11.779 1.00 28.65 C ATOM 1724 CG1 ILE A 871 16.376 23.421 -12.438 1.00 28.04 C ATOM 1725 CG2 ILE A 871 18.018 21.863 -11.290 1.00 29.31 C ATOM 1726 CD1 ILE A 871 16.166 22.493 -13.605 1.00 22.33 C ATOM 1727 H ILE A 871 18.188 25.758 -12.213 1.00 0.00 H ATOM 1728 N PHE A 872 20.270 24.408 -10.150 1.00 28.35 N ATOM 1729 CA PHE A 872 21.463 24.180 -9.355 1.00 28.21 C ATOM 1730 C PHE A 872 21.786 25.363 -8.464 1.00 30.61 C ATOM 1731 O PHE A 872 22.842 25.366 -7.825 1.00 33.64 O ATOM 1732 CB PHE A 872 22.652 23.856 -10.267 1.00 27.49 C ATOM 1733 CG PHE A 872 22.608 22.466 -10.833 1.00 29.50 C ATOM 1734 CD1 PHE A 872 23.098 21.393 -10.101 1.00 27.53 C ATOM 1735 CD2 PHE A 872 22.059 22.226 -12.077 1.00 29.00 C ATOM 1736 CE1 PHE A 872 23.055 20.098 -10.610 1.00 27.97 C ATOM 1737 CE2 PHE A 872 22.010 20.934 -12.598 1.00 23.67 C ATOM 1738 CZ PHE A 872 22.513 19.873 -11.870 1.00 28.17 C ATOM 1739 H PHE A 872 20.352 24.908 -11.058 1.00 0.00 H ATOM 1740 N ALA A 873 20.897 26.356 -8.411 1.00 30.58 N ATOM 1741 CA ALA A 873 21.051 27.537 -7.564 1.00 28.65 C ATOM 1742 C ALA A 873 22.435 28.164 -7.721 1.00 37.94 C ATOM 1743 O ALA A 873 23.159 28.391 -6.748 1.00 38.54 O ATOM 1744 CB ALA A 873 20.767 27.194 -6.102 1.00 33.95 C ATOM 1745 H ALA A 873 20.047 26.286 -9.006 1.00 0.00 H ATOM 1746 N ILE A 874 22.805 28.449 -8.962 1.00 31.95 N ATOM 1747 CA ILE A 874 24.093 29.074 -9.257 1.00 35.90 C ATOM 1748 C ILE A 874 23.952 30.581 -9.131 1.00 37.04 C ATOM 1749 O ILE A 874 22.961 31.161 -9.589 1.00 38.52 O ATOM 1750 CB ILE A 874 24.594 28.665 -10.655 1.00 32.20 C ATOM 1751 CG1 ILE A 874 25.063 27.212 -10.624 1.00 31.88 C ATOM 1752 CG2 ILE A 874 25.705 29.586 -11.134 1.00 27.11 C ATOM 1753 CD1 ILE A 874 25.152 26.585 -11.982 1.00 28.68 C ATOM 1754 H ILE A 874 22.161 28.222 -9.747 1.00 0.00 H ATOM 1755 N GLN A 875 24.947 31.202 -8.492 1.00 43.01 N ATOM 1756 CA GLN A 875 25.036 32.648 -8.225 1.00 56.25 C ATOM 1757 C GLN A 875 24.204 33.552 -9.138 1.00 52.84 C ATOM 1758 O GLN A 875 24.693 34.081 -10.136 1.00 53.90 O ATOM 1759 CB GLN A 875 26.507 33.084 -8.296 1.00 64.57 C ATOM 1760 CG GLN A 875 26.752 34.548 -7.935 1.00 77.33 C ATOM 1761 CD GLN A 875 28.218 34.947 -8.029 1.00 83.35 C ATOM 1762 OE1 GLN A 875 29.062 34.161 -8.464 1.00 84.42 O ATOM 1763 NE2 GLN A 875 28.525 36.173 -7.617 1.00 85.23 N ATOM 1764 HE22 GLN A 875 27.780 36.803 -7.257 1.00 0.00 H ATOM 1765 HE21 GLN A 875 29.511 36.503 -7.654 1.00 0.00 H ATOM 1766 H GLN A 875 25.731 30.610 -8.151 1.00 0.00 H TER 1767 GLN A 875 HETATM 1768 ZN ZN A 1 4.437 14.110 -23.986 1.00 20.59 ZN HETATM 1769 ZN ZN A 2 4.080 14.849 -9.496 1.00 22.69 ZN HETATM 1770 O HOH 3 33.652 21.601 -16.777 1.00 55.38 O HETATM 1771 O HOH 4 10.063 29.322 -26.672 1.00 36.52 O HETATM 1772 O HOH 5 9.651 26.985 -22.631 1.00 39.40 O HETATM 1773 O HOH 6 10.688 23.668 -4.321 1.00 54.41 O HETATM 1774 O HOH 7 6.947 3.507 -4.588 1.00 39.18 O HETATM 1775 O HOH 8 30.625 17.241 -25.220 1.00 45.72 O HETATM 1776 O HOH 9 10.273 6.520 -10.132 1.00 48.12 O HETATM 1777 O HOH 10 17.083 36.427 -21.660 1.00 40.94 O HETATM 1778 O HOH 11 12.782 9.933 -20.878 1.00 30.12 O HETATM 1779 O HOH 12 0.362 17.520 -16.677 1.00 22.55 O HETATM 1780 O HOH 13 0.014 3.999 -8.209 1.00 30.61 O HETATM 1781 O HOH 14 -10.533 10.034 -7.717 1.00 49.30 O HETATM 1782 O HOH 15 2.130 21.674 -19.938 1.00 26.18 O HETATM 1783 O HOH 16 17.697 9.645 -17.236 1.00 27.00 O HETATM 1784 O HOH 17 18.828 10.131 -9.108 1.00 36.22 O HETATM 1785 O HOH 18 -2.814 7.923 -6.405 1.00 37.68 O HETATM 1786 O HOH 19 27.005 31.077 -14.398 1.00 48.95 O HETATM 1787 O HOH 20 9.719 3.276 -19.358 1.00 29.43 O HETATM 1788 O HOH 21 -11.375 14.434 -17.872 1.00 46.04 O HETATM 1789 O HOH 22 37.997 12.158 -11.963 1.00 50.07 O HETATM 1790 O HOH 23 25.230 28.203 -23.513 1.00 25.82 O HETATM 1791 O HOH 24 24.540 9.051 -12.197 1.00 40.00 O HETATM 1792 O HOH 25 24.943 19.462 -33.458 1.00 32.73 O HETATM 1793 O HOH 26 18.793 18.272 -34.156 1.00 39.69 O HETATM 1794 O HOH 27 10.805 25.062 -20.202 1.00 23.33 O HETATM 1795 O HOH 28 3.114 7.006 -23.309 1.00 21.03 O HETATM 1796 O HOH 29 5.197 0.744 -22.097 1.00 42.57 O HETATM 1797 O HOH 30 10.538 18.275 -28.347 1.00 35.59 O HETATM 1798 O HOH 31 18.818 34.641 -39.470 1.00 31.15 O HETATM 1799 O HOH 32 9.469 34.166 -34.168 1.00 47.38 O HETATM 1800 O HOH 33 24.971 35.817 1.907 1.00 39.69 O HETATM 1801 O HOH 34 20.057 23.371 -39.204 1.00 46.41 O HETATM 1802 O HOH 35 2.570 5.936 -29.650 1.00 51.10 O HETATM 1803 O HOH 36 26.546 28.254 -44.986 1.00 53.02 O HETATM 1804 O HOH 37 6.565 10.652 -25.859 1.00 24.52 O HETATM 1805 O HOH 38 9.933 10.010 -11.085 1.00 27.16 O HETATM 1806 O HOH 39 24.751 32.250 1.753 1.00 49.30 O HETATM 1807 O HOH 40 -6.440 11.062 -10.760 1.00 26.01 O HETATM 1808 O HOH 41 16.654 22.273 -7.695 1.00 41.37 O HETATM 1809 O HOH 42 5.627 22.187 -21.351 1.00 19.85 O HETATM 1810 O HOH 43 15.544 3.897 -18.358 1.00 52.09 O HETATM 1811 O HOH 44 30.178 27.100 -23.433 1.00 35.83 O HETATM 1812 O HOH 45 1.025 6.700 -10.597 1.00 22.23 O HETATM 1813 O HOH 46 17.360 9.593 -11.320 1.00 46.42 O HETATM 1814 O HOH 47 13.018 4.531 -16.306 1.00 48.18 O HETATM 1815 O HOH 48 -0.049 17.782 -5.053 1.00 27.31 O HETATM 1816 O HOH 49 27.582 8.382 -13.731 1.00 45.54 O HETATM 1817 O HOH 50 5.795 24.575 -25.620 1.00 45.80 O HETATM 1818 O HOH 51 14.275 4.674 -21.182 1.00 53.24 O HETATM 1819 O HOH 52 11.413 14.319 -22.746 1.00 18.50 O HETATM 1820 O HOH 53 12.604 12.159 -26.447 1.00 33.12 O HETATM 1821 O HOH 54 28.307 12.940 -31.505 1.00 49.48 O HETATM 1822 O HOH 55 32.601 20.277 -7.000 1.00 42.34 O HETATM 1823 O HOH 56 20.887 19.302 -32.445 1.00 31.82 O HETATM 1824 O HOH 57 33.005 29.518 -11.543 1.00 53.06 O HETATM 1825 O HOH 58 22.956 12.797 -4.257 1.00 42.55 O HETATM 1826 O HOH 59 19.001 27.810 -34.344 1.00 40.41 O HETATM 1827 O HOH 60 19.953 8.241 -28.651 1.00 51.61 O HETATM 1828 O HOH 61 2.136 15.815 -32.898 1.00 49.66 O HETATM 1829 O HOH 62 30.444 22.331 -24.708 1.00 41.91 O HETATM 1830 O HOH 63 16.502 29.034 1.881 1.00 38.13 O HETATM 1831 O HOH 64 31.205 20.614 -32.773 1.00 34.96 O HETATM 1832 O HOH 65 30.546 24.549 -20.265 1.00 33.49 O HETATM 1833 O HOH 66 9.138 20.988 -8.775 1.00 33.43 O HETATM 1834 O HOH 67 24.961 10.256 -16.058 1.00 32.04 O HETATM 1835 O HOH 68 7.086 20.845 -25.591 1.00 31.71 O HETATM 1836 O HOH 69 21.958 29.727 -35.400 1.00 33.36 O HETATM 1837 O HOH 70 13.465 35.711 -42.216 1.00 55.00 O HETATM 1838 O HOH 71 12.426 3.322 -8.525 1.00 58.21 O HETATM 1839 O HOH 72 8.698 24.108 -12.569 1.00 43.60 O HETATM 1840 O HOH 73 -1.043 11.705 -2.723 1.00 51.07 O HETATM 1841 O HOH 74 9.017 12.946 -3.928 1.00 39.21 O HETATM 1842 O HOH 75 -9.607 11.543 -19.969 1.00 36.42 O HETATM 1843 O HOH 76 1.268 -0.638 -12.649 1.00 36.88 O HETATM 1844 O HOH 77 23.214 22.925 -6.343 1.00 39.54 O HETATM 1845 O HOH 78 7.029 11.933 -3.321 1.00 53.13 O HETATM 1846 O HOH 79 18.287 7.572 -13.536 1.00 51.76 O HETATM 1847 O HOH 80 31.310 15.833 -6.263 1.00 56.94 O HETATM 1848 O HOH 81 8.438 0.505 -17.144 1.00 43.26 O HETATM 1849 O HOH 82 0.715 8.134 -26.680 1.00 28.06 O HETATM 1850 O HOH 83 4.796 8.364 -4.379 1.00 35.62 O HETATM 1851 O HOH 84 19.234 9.467 -30.675 1.00 33.26 O HETATM 1852 O HOH 85 15.738 17.456 -34.471 1.00 45.79 O HETATM 1853 O HOH 86 20.627 30.005 -33.482 1.00 39.53 O HETATM 1854 O HOH 87 25.574 26.111 -38.809 1.00 58.74 O HETATM 1855 O HOH 88 17.476 10.605 -19.590 1.00 29.70 O HETATM 1856 O HOH 89 11.601 26.926 -18.621 1.00 27.28 O HETATM 1857 O HOH 90 6.780 16.589 -3.454 1.00 39.00 O HETATM 1858 O HOH 91 -11.181 14.980 -15.088 1.00 37.70 O HETATM 1859 O HOH 92 17.181 10.928 -34.263 1.00 46.22 O HETATM 1860 O HOH 93 18.024 36.154 -42.611 1.00 55.03 O HETATM 1861 O HOH 94 -5.874 18.610 -18.815 1.00 20.15 O HETATM 1862 O HOH 95 24.726 1.852 -18.497 1.00 54.53 O HETATM 1863 O HOH 96 14.600 34.177 -24.679 1.00 38.03 O HETATM 1864 O HOH 97 28.632 31.803 -38.874 1.00 52.97 O HETATM 1865 O HOH 98 8.459 -0.336 -12.757 1.00 55.23 O HETATM 1866 O HOH 99 0.191 2.535 -20.664 1.00 39.55 O HETATM 1867 O HOH 100 13.120 13.062 -4.039 1.00 41.59 O HETATM 1868 O HOH 101 11.714 34.346 -40.342 1.00 43.15 O HETATM 1869 O HOH 102 4.165 22.395 -26.342 1.00 35.27 O HETATM 1870 O HOH 103 16.762 10.230 -31.710 1.00 44.66 O HETATM 1871 O HOH 104 19.748 38.483 5.045 1.00 52.82 O HETATM 1872 O HOH 105 8.880 17.473 -26.009 1.00 22.27 O HETATM 1873 O HOH 106 8.699 7.700 -8.002 1.00 33.88 O HETATM 1874 O HOH 107 23.307 27.639 -37.367 1.00 58.07 O HETATM 1875 O HOH 108 10.384 7.852 -13.093 1.00 41.68 O HETATM 1876 O HOH 109 12.788 7.877 -22.963 1.00 47.86 O HETATM 1877 O HOH 110 23.722 8.498 -9.685 1.00 47.92 O HETATM 1878 O HOH 111 31.441 13.165 -17.623 1.00 39.40 O HETATM 1879 O HOH 112 28.751 31.420 -10.639 1.00 46.93 O HETATM 1880 O HOH 113 17.427 9.145 -7.404 1.00 47.73 O HETATM 1881 O HOH 114 14.185 11.199 -5.142 1.00 52.22 O HETATM 1882 O HOH 115 15.630 7.611 -10.952 1.00 58.20 O HETATM 1883 O HOH 116 7.055 7.142 -4.463 1.00 47.21 O HETATM 1884 O HOH 117 4.372 16.987 -4.478 1.00 46.20 O HETATM 1885 O HOH 118 24.894 36.561 -1.033 1.00 61.99 O HETATM 1886 O HOH 119 0.389 22.464 -17.659 1.00 47.82 O HETATM 1887 O HOH 120 6.065 14.047 -2.768 1.00 45.93 O HETATM 1888 O HOH 121 13.682 4.985 -13.841 1.00 51.04 O HETATM 1889 O HOH 122 4.228 13.724 -27.911 1.00 47.90 O HETATM 1890 O HOH 123 9.537 8.013 -5.649 1.00 53.59 O HETATM 1891 O HOH 124 -2.265 2.725 -7.567 1.00 46.13 O HETATM 1892 O HOH 125 4.949 11.316 -27.560 1.00 41.23 O HETATM 1893 O HOH 126 5.972 23.160 -18.847 1.00 47.65 O HETATM 1894 O HOH 127 16.499 5.581 -14.333 1.00 45.78 O HETATM 1895 O HOH 128 21.406 8.057 -10.190 1.00 51.33 O HETATM 1896 O HOH 129 15.218 9.304 -20.294 1.00 28.36 O HETATM 1897 O HOH 130 22.718 7.859 -28.355 1.00 49.21 O HETATM 1898 O HOH 131 15.867 7.117 -22.737 1.00 46.35 O HETATM 1899 O HOH 132 10.467 13.821 -26.865 1.00 35.68 O HETATM 1900 O HOH 133 31.260 12.550 -20.573 1.00 57.57 O HETATM 1901 O HOH 134 -0.289 24.549 -19.065 1.00 50.60 O HETATM 1902 O HOH 135 9.348 15.134 -24.863 1.00 22.91 O HETATM 1903 O HOH 136 31.236 32.704 -37.658 1.00 36.79 O HETATM 1904 O HOH 137 8.385 25.207 -19.109 1.00 43.92 O HETATM 1905 O HOH 138 1.148 0.764 -18.423 1.00 32.34 O HETATM 1906 O HOH 139 2.950 8.566 -2.433 1.00 43.79 O HETATM 1907 O HOH 140 16.720 38.981 -21.663 1.00 44.56 O HETATM 1908 O HOH 141 11.112 15.789 -29.185 1.00 39.21 O HETATM 1909 O HOH 142 37.824 19.518 -11.704 1.00 48.24 O HETATM 1910 O HOH 143 20.569 40.224 6.937 1.00 57.30 O HETATM 1911 O HOH 144 -6.323 3.192 -17.389 1.00 38.93 O HETATM 1912 O HOH 145 -6.788 20.849 -36.847 1.00 53.24 O HETATM 1913 O HOH 146 -9.175 8.930 -20.270 1.00 41.47 O HETATM 1914 O HOH 147 -3.628 3.841 -20.442 1.00 39.11 O HETATM 1915 O HOH 148 -7.957 5.091 -20.280 1.00 34.56 O HETATM 1916 O HOH 149 -7.287 6.799 -10.117 1.00 41.98 O HETATM 1917 O HOH 150 -9.801 8.390 -24.683 1.00 53.05 O HETATM 1918 O HOH 151 -5.220 13.172 -29.751 1.00 41.68 O HETATM 1919 O HOH 152 1.062 0.886 -15.790 1.00 35.47 O HETATM 1920 O HOH 153 -1.226 6.649 -27.850 1.00 44.98 O HETATM 1921 O HOH 154 -5.257 1.993 -19.524 1.00 40.14 O HETATM 1922 O HOH 155 -1.454 1.338 -21.757 1.00 41.23 O HETATM 1923 O HOH 156 -6.709 4.159 -9.501 1.00 45.47 O HETATM 1924 O HOH 157 -3.171 0.207 -19.948 1.00 40.02 O HETATM 1925 N ALA A 158 2.649 2.550 -11.827 1.00 0.24 N HETATM 1926 CA ALA A 158 2.141 3.896 -12.089 1.00 0.06 C HETATM 1927 C ALA A 158 0.773 3.825 -12.752 1.00 0.23 C HETATM 1928 O ALA A 158 0.546 2.982 -13.617 1.00 -0.39 O HETATM 1929 N ALA A 158 -0.139 4.700 -12.341 1.00 -0.26 N HETATM 1930 CA ALA A 158 -1.453 4.765 -12.972 1.00 0.13 C HETATM 1931 C ALA A 158 -1.358 5.335 -14.383 1.00 0.20 C HETATM 1932 O ALA A 158 -0.499 6.166 -14.687 1.00 -0.39 O HETATM 1933 N ALA A 158 -2.280 4.912 -15.242 1.00 -0.26 N HETATM 1934 CA ALA A 158 -2.258 5.319 -16.637 1.00 0.16 C HETATM 1935 C ALA A 158 -3.672 5.572 -17.142 1.00 0.21 C HETATM 1936 O ALA A 158 -4.653 5.049 -16.605 1.00 -0.39 O HETATM 1937 N ALA A 158 -3.770 6.397 -18.186 1.00 -0.26 N HETATM 1938 CA ALA A 158 -5.036 6.561 -18.890 1.00 0.13 C HETATM 1939 C ALA A 158 -4.749 6.978 -20.322 1.00 0.20 C HETATM 1940 O ALA A 158 -3.690 7.516 -20.633 1.00 -0.39 O HETATM 1941 N ALA A 158 -5.720 6.729 -21.187 1.00 -0.26 N HETATM 1942 CA ALA A 158 -5.656 7.100 -22.592 1.00 0.13 C HETATM 1943 C ALA A 158 -6.542 8.324 -22.801 1.00 0.20 C HETATM 1944 O ALA A 158 -7.729 8.281 -22.481 1.00 -0.39 O HETATM 1945 N ALA A 158 -5.966 9.411 -23.318 1.00 -0.26 N HETATM 1946 CA ALA A 158 -6.702 10.641 -23.589 1.00 0.16 C HETATM 1947 C ALA A 158 -6.646 10.956 -25.077 1.00 0.21 C HETATM 1948 O ALA A 158 -5.850 10.387 -25.827 1.00 -0.39 O HETATM 1949 N ALA A 158 -7.493 11.891 -25.504 1.00 -0.26 N HETATM 1950 CA ALA A 158 -7.677 12.152 -26.925 1.00 0.13 C HETATM 1951 C ALA A 158 -8.156 13.580 -27.136 1.00 0.20 C HETATM 1952 O ALA A 158 -9.021 14.076 -26.404 1.00 -0.39 O HETATM 1953 N ALA A 158 -7.581 14.229 -28.139 1.00 -0.27 N HETATM 1954 CA ALA A 158 -8.047 15.524 -28.592 1.00 0.09 C HETATM 1955 C ALA A 158 -9.458 15.417 -29.166 1.00 0.06 C HETATM 1956 O ALA A 158 -10.397 15.991 -28.622 1.00 -0.57 O HETATM 1957 OXT ALA A 158 -9.670 14.756 -30.178 1.00 -0.57 O HETATM 1958 CB ALA A 158 -7.077 16.082 -29.629 1.00 -0.01 C HETATM 1959 CG ALA A 158 -7.641 17.150 -30.526 1.00 -0.02 C HETATM 1960 CD ALA A 158 -6.610 17.534 -31.560 1.00 0.06 C HETATM 1961 NE ALA A 158 -7.190 18.321 -32.642 1.00 -0.27 N HETATM 1962 CZ ALA A 158 -6.476 18.917 -33.591 1.00 0.29 C HETATM 1963 NH1 ALA A 158 -5.150 18.814 -33.587 1.00 -0.28 N HETATM 1964 H70 ALA A 158 -4.595 19.276 -34.322 1.00 0.26 H HETATM 1965 H71 ALA A 158 -4.678 18.273 -32.849 1.00 0.26 H HETATM 1966 NH2 ALA A 158 -7.085 19.617 -34.541 1.00 -0.28 N HETATM 1967 H72 ALA A 158 -8.112 19.697 -34.544 1.00 0.26 H HETATM 1968 H73 ALA A 158 -6.530 20.080 -35.275 1.00 0.26 H HETATM 1969 H69 ALA A 158 -8.215 18.421 -32.672 1.00 0.26 H HETATM 1970 H67 ALA A 158 -6.172 16.618 -31.982 1.00 0.07 H HETATM 1971 H68 ALA A 158 -5.822 18.127 -31.073 1.00 0.07 H HETATM 1972 H65 ALA A 158 -7.904 18.033 -29.925 1.00 0.03 H HETATM 1973 H66 ALA A 158 -8.541 16.768 -31.030 1.00 0.03 H HETATM 1974 H63 ALA A 158 -6.740 15.248 -30.263 1.00 0.03 H HETATM 1975 H64 ALA A 158 -6.215 16.507 -29.094 1.00 0.03 H HETATM 1976 H62 ALA A 158 -8.073 16.209 -27.732 1.00 0.07 H HETATM 1977 H61 ALA A 158 -6.798 13.810 -28.599 1.00 0.19 H HETATM 1978 CB ALA A 158 -8.681 11.175 -27.556 1.00 -0.02 C HETATM 1979 H58 ALA A 158 -8.792 11.404 -28.626 1.00 0.03 H HETATM 1980 H59 ALA A 158 -9.655 11.277 -27.056 1.00 0.03 H HETATM 1981 H60 ALA A 158 -8.314 10.145 -27.438 1.00 0.03 H HETATM 1982 H57 ALA A 158 -6.707 12.027 -27.428 1.00 0.08 H HETATM 1983 H56 ALA A 158 -8.012 12.424 -24.836 1.00 0.19 H HETATM 1984 CB ALA A 158 -6.149 11.827 -22.781 1.00 0.09 C HETATM 1985 OG1 ALA A 158 -4.844 12.179 -23.263 1.00 -0.39 O HETATM 1986 H52 ALA A 158 -4.509 12.912 -22.760 1.00 0.21 H HETATM 1987 CG2 ALA A 158 -6.057 11.471 -21.318 1.00 -0.03 C HETATM 1988 H53 ALA A 158 -5.660 12.329 -20.756 1.00 0.03 H HETATM 1989 H54 ALA A 158 -5.386 10.608 -21.192 1.00 0.03 H HETATM 1990 H55 ALA A 158 -7.058 11.216 -20.939 1.00 0.03 H HETATM 1991 H51 ALA A 158 -6.824 12.687 -22.901 1.00 0.06 H HETATM 1992 H50 ALA A 158 -7.752 10.486 -23.300 1.00 0.08 H HETATM 1993 H49 ALA A 158 -4.989 9.381 -23.529 1.00 0.19 H HETATM 1994 CB ALA A 158 -6.131 5.940 -23.469 1.00 0.00 C HETATM 1995 CG ALA A 158 -5.987 6.180 -24.949 1.00 0.04 C HETATM 1996 CD ALA A 158 -4.546 6.111 -25.387 1.00 0.17 C HETATM 1997 OE1 ALA A 158 -3.736 5.414 -24.768 1.00 -0.40 O HETATM 1998 NE2 ALA A 158 -4.206 6.842 -26.449 1.00 -0.30 N HETATM 1999 H47 ALA A 158 -3.263 6.832 -26.781 1.00 0.18 H HETATM 2000 H48 ALA A 158 -4.894 7.400 -26.913 1.00 0.18 H HETATM 2001 H45 ALA A 158 -6.385 7.177 -25.189 1.00 0.05 H HETATM 2002 H46 ALA A 158 -6.562 5.415 -25.492 1.00 0.05 H HETATM 2003 H43 ALA A 158 -7.194 5.757 -23.252 1.00 0.03 H HETATM 2004 H44 ALA A 158 -5.544 5.047 -23.206 1.00 0.03 H HETATM 2005 H42 ALA A 158 -4.618 7.349 -22.859 1.00 0.08 H HETATM 2006 H41 ALA A 158 -6.540 6.261 -20.857 1.00 0.19 H HETATM 2007 CB ALA A 158 -5.957 7.583 -18.211 1.00 -0.01 C HETATM 2008 CG ALA A 158 -5.390 9.007 -18.137 1.00 -0.04 C HETATM 2009 CD ALA A 158 -6.468 9.954 -17.604 1.00 -0.01 C HETATM 2010 CE ALA A 158 -5.920 11.305 -17.176 1.00 -0.04 C HETATM 2011 NZ ALA A 158 -7.059 12.187 -16.735 1.00 0.22 N HETATM 2012 H38 ALA A 158 -6.698 13.084 -16.450 1.00 0.20 H HETATM 2013 H39 ALA A 158 -7.537 11.756 -15.960 1.00 0.20 H HETATM 2014 H40 ALA A 158 -7.704 12.311 -17.500 1.00 0.20 H HETATM 2015 H36 ALA A 158 -5.398 11.775 -18.023 1.00 0.08 H HETATM 2016 H37 ALA A 158 -5.216 11.169 -16.341 1.00 0.08 H HETATM 2017 H34 ALA A 158 -6.950 9.481 -16.736 1.00 0.03 H HETATM 2018 H35 ALA A 158 -7.215 10.115 -18.396 1.00 0.03 H HETATM 2019 H32 ALA A 158 -5.080 9.332 -19.141 1.00 0.03 H HETATM 2020 H33 ALA A 158 -4.521 9.022 -17.462 1.00 0.03 H HETATM 2021 H30 ALA A 158 -6.154 7.239 -17.185 1.00 0.03 H HETATM 2022 H31 ALA A 158 -6.902 7.619 -18.773 1.00 0.03 H HETATM 2023 H29 ALA A 158 -5.554 5.591 -18.901 1.00 0.08 H HETATM 2024 H28 ALA A 158 -2.966 6.909 -18.489 1.00 0.19 H HETATM 2025 CB ALA A 158 -1.569 4.261 -17.509 1.00 0.09 C HETATM 2026 OG1 ALA A 158 -1.458 4.741 -18.849 1.00 -0.39 O HETATM 2027 H24 ALA A 158 -0.944 5.540 -18.857 1.00 0.21 H HETATM 2028 CG2 ALA A 158 -2.363 2.953 -17.505 1.00 -0.03 C HETATM 2029 H25 ALA A 158 -1.851 2.211 -18.136 1.00 0.03 H HETATM 2030 H26 ALA A 158 -3.373 3.136 -17.901 1.00 0.03 H HETATM 2031 H27 ALA A 158 -2.436 2.571 -16.476 1.00 0.03 H HETATM 2032 H23 ALA A 158 -0.562 4.070 -17.109 1.00 0.06 H HETATM 2033 H22 ALA A 158 -1.688 6.256 -16.714 1.00 0.08 H HETATM 2034 H21 ALA A 158 -3.004 4.301 -14.922 1.00 0.19 H HETATM 2035 CB ALA A 158 -2.402 5.624 -12.132 1.00 -0.01 C HETATM 2036 CG ALA A 158 -2.707 4.997 -10.766 1.00 -0.02 C HETATM 2037 CD ALA A 158 -3.596 5.888 -9.919 1.00 0.06 C HETATM 2038 NE ALA A 158 -2.976 7.194 -9.725 1.00 -0.27 N HETATM 2039 CZ ALA A 158 -3.539 8.358 -10.030 1.00 0.29 C HETATM 2040 NH1 ALA A 158 -4.765 8.410 -10.542 1.00 -0.28 N HETATM 2041 H17 ALA A 158 -5.188 9.320 -10.773 1.00 0.26 H HETATM 2042 H18 ALA A 158 -5.291 7.540 -10.707 1.00 0.26 H HETATM 2043 NH2 ALA A 158 -2.870 9.482 -9.817 1.00 -0.28 N HETATM 2044 H19 ALA A 158 -1.920 9.449 -9.421 1.00 0.26 H HETATM 2045 H20 ALA A 158 -3.300 10.389 -10.048 1.00 0.26 H HETATM 2046 H16 ALA A 158 -2.029 7.215 -9.320 1.00 0.26 H HETATM 2047 H14 ALA A 158 -3.755 5.414 -8.939 1.00 0.07 H HETATM 2048 H15 ALA A 158 -4.564 6.019 -10.425 1.00 0.07 H HETATM 2049 H12 ALA A 158 -1.760 4.830 -10.232 1.00 0.03 H HETATM 2050 H13 ALA A 158 -3.215 4.034 -10.922 1.00 0.03 H HETATM 2051 H10 ALA A 158 -3.346 5.748 -12.682 1.00 0.03 H HETATM 2052 H11 ALA A 158 -1.939 6.609 -11.973 1.00 0.03 H HETATM 2053 H9 ALA A 158 -1.861 3.745 -13.033 1.00 0.08 H HETATM 2054 H8 ALA A 158 0.078 5.322 -11.589 1.00 0.19 H HETATM 2055 CB ALA A 158 3.121 4.676 -12.965 1.00 -0.00 C HETATM 2056 H5 ALA A 158 2.723 5.684 -13.152 1.00 0.03 H HETATM 2057 H6 ALA A 158 3.254 4.152 -13.923 1.00 0.03 H HETATM 2058 H7 ALA A 158 4.090 4.753 -12.451 1.00 0.03 H HETATM 2059 H4 ALA A 158 2.037 4.423 -11.129 1.00 0.11 H HETATM 2060 H1 ALA A 158 3.554 2.612 -11.388 1.00 0.20 H HETATM 2061 H2 ALA A 158 2.731 2.046 -12.696 1.00 0.20 H HETATM 2062 H3 ALA A 158 2.012 2.064 -11.216 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 95 94 1768 CONECT 120 119 1768 CONECT 217 216 1769 CONECT 242 241 1769 CONECT 294 293 296 1768 CONECT 325 324 1768 CONECT 457 456 1769 CONECT 485 484 1769 CONECT 1038 1039 1042 1043 1044 CONECT 1042 1038 CONECT 1043 1038 CONECT 1044 1038 CONECT 1768 95 120 294 325 CONECT 1769 217 242 457 485 CONECT 1925 1926 2060 2061 2062 CONECT 1926 1925 1927 2055 2059 CONECT 1927 1926 1928 1929 CONECT 1928 1927 CONECT 1929 1927 1930 2054 CONECT 1930 1929 1931 2035 2053 CONECT 1931 1930 1932 1933 CONECT 1932 1931 CONECT 1933 1931 1934 2034 CONECT 1934 1933 1935 2025 2033 CONECT 1935 1934 1936 1937 CONECT 1936 1935 CONECT 1937 1935 1938 2024 CONECT 1938 1937 1939 2007 2023 CONECT 1939 1938 1940 1941 CONECT 1940 1939 CONECT 1941 1939 1942 2006 CONECT 1942 1941 1943 1994 2005 CONECT 1943 1942 1944 1945 CONECT 1944 1943 CONECT 1945 1943 1946 1993 CONECT 1946 1945 1947 1984 1992 CONECT 1947 1946 1948 1949 CONECT 1948 1947 CONECT 1949 1947 1950 1983 CONECT 1950 1949 1951 1978 1982 CONECT 1951 1950 1952 1953 CONECT 1952 1951 CONECT 1953 1951 1954 1977 CONECT 1954 1953 1955 1958 1976 CONECT 1955 1954 1956 1957 CONECT 1956 1955 CONECT 1957 1955 CONECT 1958 1954 1959 1974 1975 CONECT 1959 1958 1960 1972 1973 CONECT 1960 1959 1961 1970 1971 CONECT 1961 1960 1962 1969 CONECT 1962 1961 1963 1966 CONECT 1963 1962 1964 1965 CONECT 1964 1963 CONECT 1965 1963 CONECT 1966 1962 1967 1968 CONECT 1967 1966 CONECT 1968 1966 CONECT 1969 1961 CONECT 1970 1960 CONECT 1971 1960 CONECT 1972 1959 CONECT 1973 1959 CONECT 1974 1958 CONECT 1975 1958 CONECT 1976 1954 CONECT 1977 1953 CONECT 1978 1950 1979 1980 1981 CONECT 1979 1978 CONECT 1980 1978 CONECT 1981 1978 CONECT 1982 1950 CONECT 1983 1949 CONECT 1984 1946 1985 1987 1991 CONECT 1985 1984 1986 CONECT 1986 1985 CONECT 1987 1984 1988 1989 1990 CONECT 1988 1987 CONECT 1989 1987 CONECT 1990 1987 CONECT 1991 1984 CONECT 1992 1946 CONECT 1993 1945 CONECT 1994 1942 1995 2003 2004 CONECT 1995 1994 1996 2001 2002 CONECT 1996 1995 1997 1998 CONECT 1997 1996 CONECT 1998 1996 1999 2000 CONECT 1999 1998 CONECT 2000 1998 CONECT 2001 1995 CONECT 2002 1995 CONECT 2003 1994 CONECT 2004 1994 CONECT 2005 1942 CONECT 2006 1941 CONECT 2007 1938 2008 2021 2022 CONECT 2008 2007 2009 2019 2020 CONECT 2009 2008 2010 2017 2018 CONECT 2010 2009 2011 2015 2016 CONECT 2011 2010 2012 2013 2014 CONECT 2012 2011 CONECT 2013 2011 CONECT 2014 2011 CONECT 2015 2010 CONECT 2016 2010 CONECT 2017 2009 CONECT 2018 2009 CONECT 2019 2008 CONECT 2020 2008 CONECT 2021 2007 CONECT 2022 2007 CONECT 2023 1938 CONECT 2024 1937 CONECT 2025 1934 2026 2028 2032 CONECT 2026 2025 2027 CONECT 2027 2026 CONECT 2028 2025 2029 2030 2031 CONECT 2029 2028 CONECT 2030 2028 CONECT 2031 2028 CONECT 2032 2025 CONECT 2033 1934 CONECT 2034 1933 CONECT 2035 1930 2036 2051 2052 CONECT 2036 2035 2037 2049 2050 CONECT 2037 2036 2038 2047 2048 CONECT 2038 2037 2039 2046 CONECT 2039 2038 2040 2043 CONECT 2040 2039 2041 2042 CONECT 2041 2040 CONECT 2042 2040 CONECT 2043 2039 2044 2045 CONECT 2044 2043 CONECT 2045 2043 CONECT 2046 2038 CONECT 2047 2037 CONECT 2048 2037 CONECT 2049 2036 CONECT 2050 2036 CONECT 2051 2035 CONECT 2052 2035 CONECT 2053 1930 CONECT 2054 1929 CONECT 2055 1926 2056 2057 2058 CONECT 2056 2055 CONECT 2057 2055 CONECT 2058 2055 CONECT 2059 1926 CONECT 2060 1925 CONECT 2061 1925 CONECT 2062 1925 MASTER 0 0 0 0 0 0 0 0 2060 2 156 15 END
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Structure:
Ligand 2D
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Protein
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15aa, >2LBM_2|Chain... at 100%
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2rnw
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RCSB PDB
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13aa, >2RNX_2|Chain... at 92%
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RCSB PDB
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PDBbind
13aa, >3ASK_2|Chains... at 100%
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RCSB PDB
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PDBbind
15aa, >3B95_2|Chain... at 100%
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15aa, >3QL9_2|Chain... at 100%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
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15-mer
1j81
RCSB PDB
PDBbind
15-mer
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RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
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1t7f
RCSB PDB
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1t7r
RCSB PDB
PDBbind
15-mer
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RCSB PDB
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15-mer
1w70
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1xhm
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2rnw
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2z5t
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3b95
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3bu6
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PDBbind
15-mer
3dab
RCSB PDB
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3fdt
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3ghe
RCSB PDB
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3gv6
RCSB PDB
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15-mer
3h1z
RCSB PDB
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3h91
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15-mer
3hqh
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3jpx
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3o6l
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3qlc
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3qo2
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3r93
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3uig
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3uih
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3uij
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3wp0
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4b4n
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4bxu
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4cy1
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4dma
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4dx9
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4ezo
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PDBbind
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4ft2
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4gnf
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15-mer
4gng
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4hfz
RCSB PDB
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4iur
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PDBbind
15-mer
4iut
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15-mer
4iuu
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PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
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15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
5fb1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Nuclear autoantigen Sp100C PHD-Bromo
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=1.2uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 12786-12798
Ligand Properties
Formula
C
3
7
H
7
4
N
1
6
O
1
2
Molecular Weight
935.083
Exact Mass
934.567
No. of atoms
139
No. of bonds
138
Polar Surface Area
511.85
LOGP Value
-4.71 (
Computed with XLOGP3
)
-6.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C37H70N16O12/c1-17(39)28(57)48-22(10-7-15-45-36(41)42)31(60)53-27(20(4)55)34(63)50-21(9-5-6-14-38)30(59)49-23(12-13-25(40)56)32(61)52-26(19(3)54)33(62)47-18(2)29(58)51-24(35(64)65)11-8-16-46-37(43)44/h17-24,26-27,54-55H,5-16,38-39H2,1-4H3,(H2,40,56)(H,47,62)(H,48,57)(H,49,59)(H,50,63)(H,51,58)(H,52,61)(H,53,60)(H,64,65)(H4,41,42,45)(H4,43,44,46)/p+4/t17-,18-,19+,20+,21-,22-,23-,24-,26-,27-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P23497
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
6672
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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