Browse entries in the PDBbind-CN Database
HEADER 6E3M_COMPLEX COMPND 6E3M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 54 MET ALA MET GLU ASP PHE VAL ARG GLN CYS PHE ASN PRO SEQRES 2 A 54 MET ILE VAL GLU LEU ALA GLU LYS ALA MET LYS GLU TYR SEQRES 3 A 54 GLY GLU ASP PRO LYS ILE GLU THR ASN LYS PHE ALA ALA SEQRES 4 A 54 ILE CYS THR HIS LEU GLU VAL CYS PHE MET TYR SER ASP SEQRES 5 A 54 PHE GLY SEQRES 1 A 67 LEU LYS HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG SEQRES 2 A 67 ILE MET ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR SEQRES 3 A 67 THR GLY VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR SEQRES 4 A 67 ASP TYR LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR SEQRES 5 A 67 ARG ARG GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN SEQRES 6 A 67 LYS ILE SEQRES 1 A 56 GLU LYS THR HIS ILE HIS ILE PHE SER PHE THR GLY GLU SEQRES 2 A 56 GLU MET ALA THR LYS ALA ASP TYR THR LEU ASP GLU GLU SEQRES 3 A 56 SER ARG ALA ARG ILE LYS THR ARG LEU PHE THR ILE ARG SEQRES 4 A 56 GLN GLU MET ALA SER ARG SER LEU TRP ASP SER PHE ARG SEQRES 5 A 56 GLN SER GLU ARG HET MN A 1 1 HET MN A 2 1 HET HOG A 205 27 ATOM 1 N MET A -1 -40.921 8.623 25.366 1.00 90.87 N ATOM 2 CA MET A -1 -40.617 9.499 24.188 1.00 90.16 C ATOM 3 C MET A -1 -40.745 8.687 22.884 1.00 85.51 C ATOM 4 O MET A -1 -40.079 7.658 22.703 1.00 84.26 O ATOM 5 CB MET A -1 -39.205 10.089 24.312 1.00 88.06 C ATOM 6 CG MET A -1 -38.904 11.164 23.299 1.00 90.80 C ATOM 7 SD MET A -1 -39.747 12.753 23.574 1.00103.42 S ATOM 8 CE MET A -1 -38.653 13.488 24.797 1.00102.32 C ATOM 9 HN3 MET A -1 -40.250 7.829 25.388 1.00 0.00 H ATOM 10 HN2 MET A -1 -41.891 8.257 25.283 1.00 0.00 H ATOM 11 HN1 MET A -1 -40.833 9.178 26.241 1.00 0.00 H ATOM 12 N ALA A 0 -41.619 9.157 21.981 1.00 76.88 N ATOM 13 CA ALA A 0 -41.722 8.665 20.599 1.00 70.95 C ATOM 14 C ALA A 0 -40.385 8.885 19.881 1.00 69.96 C ATOM 15 O ALA A 0 -39.921 8.032 19.107 1.00 67.36 O ATOM 16 CB ALA A 0 -42.853 9.362 19.876 1.00 70.10 C ATOM 17 H ALA A 0 -42.264 9.917 22.277 1.00 0.00 H ATOM 18 N MET A 1 -39.755 10.026 20.173 1.00 63.46 N ATOM 19 CA MET A 1 -38.477 10.399 19.568 1.00 66.21 C ATOM 20 C MET A 1 -37.416 9.326 19.833 1.00 59.95 C ATOM 21 O MET A 1 -36.644 8.979 18.946 1.00 64.78 O ATOM 22 CB MET A 1 -37.977 11.772 20.049 1.00 62.80 C ATOM 23 CG MET A 1 -36.690 12.245 19.351 1.00 66.85 C ATOM 24 SD MET A 1 -36.683 12.070 17.526 1.00 58.03 S ATOM 25 CE MET A 1 -37.284 13.674 17.022 1.00 53.93 C ATOM 26 H MET A 1 -40.191 10.675 20.858 1.00 0.00 H ATOM 27 N GLU A 2 -37.368 8.801 21.050 1.00 64.17 N ATOM 28 CA GLU A 2 -36.385 7.786 21.340 1.00 65.79 C ATOM 29 C GLU A 2 -36.770 6.539 20.538 1.00 62.81 C ATOM 30 O GLU A 2 -35.931 6.002 19.852 1.00 59.65 O ATOM 31 CB GLU A 2 -36.288 7.549 22.845 1.00 70.54 C ATOM 32 CG GLU A 2 -35.054 6.765 23.242 1.00 73.06 C ATOM 33 CD GLU A 2 -35.274 5.810 24.400 1.00 72.91 C ATOM 34 OE1 GLU A 2 -35.968 6.201 25.350 1.00 70.98 O ATOM 35 OE2 GLU A 2 -34.775 4.671 24.334 1.00 80.14 O ATOM 36 H GLU A 2 -38.031 9.117 21.786 1.00 0.00 H ATOM 37 N ASP A 3 -38.062 6.158 20.561 1.00 65.08 N ATOM 38 CA ASP A 3 -38.553 5.012 19.784 1.00 62.66 C ATOM 39 C ASP A 3 -38.194 5.202 18.309 1.00 63.07 C ATOM 40 O ASP A 3 -37.646 4.298 17.693 1.00 69.11 O ATOM 41 CB ASP A 3 -40.063 4.802 19.876 1.00 64.60 C ATOM 42 CG ASP A 3 -40.586 4.591 21.282 1.00 70.19 C ATOM 43 OD1 ASP A 3 -39.964 3.834 22.051 1.00 67.45 O ATOM 44 OD2 ASP A 3 -41.616 5.200 21.593 1.00 79.70 O ATOM 45 H ASP A 3 -38.734 6.693 21.148 1.00 0.00 H ATOM 46 N PHE A 4 -38.503 6.382 17.762 1.00 60.37 N ATOM 47 CA PHE A 4 -38.269 6.693 16.338 1.00 58.03 C ATOM 48 C PHE A 4 -36.799 6.487 15.946 1.00 54.37 C ATOM 49 O PHE A 4 -36.508 5.899 14.878 1.00 53.68 O ATOM 50 CB PHE A 4 -38.656 8.134 16.001 1.00 60.06 C ATOM 51 CG PHE A 4 -38.008 8.636 14.738 1.00 56.15 C ATOM 52 CD1 PHE A 4 -38.480 8.240 13.499 1.00 51.07 C ATOM 53 CD2 PHE A 4 -36.884 9.447 14.789 1.00 51.68 C ATOM 54 CE1 PHE A 4 -37.854 8.653 12.332 1.00 50.89 C ATOM 55 CE2 PHE A 4 -36.263 9.857 13.620 1.00 53.54 C ATOM 56 CZ PHE A 4 -36.750 9.460 12.392 1.00 50.56 C ATOM 57 H PHE A 4 -38.927 7.114 18.367 1.00 0.00 H ATOM 58 N VAL A 5 -35.885 6.993 16.783 1.00 49.68 N ATOM 59 CA VAL A 5 -34.450 6.795 16.576 1.00 48.16 C ATOM 60 C VAL A 5 -34.142 5.313 16.447 1.00 51.29 C ATOM 61 O VAL A 5 -33.459 4.921 15.523 1.00 56.22 O ATOM 62 CB VAL A 5 -33.613 7.373 17.715 1.00 47.79 C ATOM 63 CG1 VAL A 5 -32.192 6.859 17.629 1.00 54.45 C ATOM 64 CG2 VAL A 5 -33.642 8.889 17.697 1.00 50.15 C ATOM 65 H VAL A 5 -36.205 7.544 17.605 1.00 0.00 H ATOM 66 N ARG A 6 -34.653 4.510 17.392 1.00 60.97 N ATOM 67 CA ARG A 6 -34.330 3.070 17.453 1.00 65.67 C ATOM 68 C ARG A 6 -34.915 2.350 16.235 1.00 65.55 C ATOM 69 O ARG A 6 -34.356 1.371 15.763 1.00 64.55 O ATOM 70 CB ARG A 6 -34.844 2.425 18.741 1.00 68.80 C ATOM 71 CG ARG A 6 -34.699 3.292 19.984 1.00 77.57 C ATOM 72 CD ARG A 6 -34.724 2.513 21.291 1.00 85.32 C ATOM 73 NE ARG A 6 -33.376 2.178 21.729 1.00 89.70 N ATOM 74 CZ ARG A 6 -32.580 3.003 22.403 1.00 86.82 C ATOM 75 NH1 ARG A 6 -33.091 4.067 23.001 1.00 74.56 N ATOM 76 NH2 ARG A 6 -31.276 2.770 22.458 1.00 76.75 N ATOM 77 HE ARG A 6 -33.012 1.231 21.500 1.00 0.00 H ATOM 78 HH12 ARG A 6 -32.472 4.714 23.529 1.00 0.00 H ATOM 79 HH11 ARG A 6 -34.112 4.256 22.943 1.00 0.00 H ATOM 80 HH22 ARG A 6 -30.654 3.416 22.985 1.00 0.00 H ATOM 81 HH21 ARG A 6 -30.875 1.942 21.974 1.00 0.00 H ATOM 82 H ARG A 6 -35.296 4.913 18.103 1.00 0.00 H ATOM 83 N GLN A 7 -36.043 2.858 15.733 1.00 68.04 N ATOM 84 CA GLN A 7 -36.838 2.178 14.731 1.00 66.79 C ATOM 85 C GLN A 7 -36.377 2.570 13.331 1.00 66.89 C ATOM 86 O GLN A 7 -36.658 1.837 12.403 1.00 83.54 O ATOM 87 CB GLN A 7 -38.329 2.475 14.941 1.00 77.65 C ATOM 88 CG GLN A 7 -39.059 1.394 15.746 1.00 83.33 C ATOM 89 CD GLN A 7 -40.015 1.909 16.798 1.00 83.60 C ATOM 90 OE1 GLN A 7 -41.027 2.541 16.498 1.00 82.70 O ATOM 91 NE2 GLN A 7 -39.718 1.610 18.055 1.00 88.23 N ATOM 92 HE22 GLN A 7 -38.854 1.074 18.272 1.00 0.00 H ATOM 93 HE21 GLN A 7 -40.349 1.911 18.824 1.00 0.00 H ATOM 94 H GLN A 7 -36.366 3.785 16.077 1.00 0.00 H ATOM 95 N CYS A 8 -35.665 3.695 13.189 1.00 68.78 N ATOM 96 CA CYS A 8 -35.379 4.228 11.852 1.00 67.30 C ATOM 97 C CYS A 8 -33.878 4.362 11.534 1.00 67.37 C ATOM 98 O CYS A 8 -33.565 4.793 10.444 1.00 70.05 O ATOM 99 CB CYS A 8 -36.055 5.573 11.631 1.00 69.33 C ATOM 100 SG CYS A 8 -36.929 5.629 10.048 1.00 68.99 S ATOM 101 H CYS A 8 -35.313 4.194 14.031 1.00 0.00 H ATOM 102 N PHE A 9 -32.969 3.961 12.435 1.00 61.68 N ATOM 103 CA PHE A 9 -31.519 3.982 12.161 1.00 58.57 C ATOM 104 C PHE A 9 -30.901 2.626 12.542 1.00 59.65 C ATOM 105 O PHE A 9 -31.336 2.006 13.496 1.00 64.09 O ATOM 106 CB PHE A 9 -30.828 5.081 12.977 1.00 54.49 C ATOM 107 CG PHE A 9 -31.116 6.495 12.547 1.00 53.78 C ATOM 108 CD1 PHE A 9 -30.441 7.064 11.474 1.00 58.54 C ATOM 109 CD2 PHE A 9 -32.032 7.267 13.231 1.00 51.87 C ATOM 110 CE1 PHE A 9 -30.694 8.371 11.090 1.00 56.07 C ATOM 111 CE2 PHE A 9 -32.283 8.570 12.844 1.00 57.14 C ATOM 112 CZ PHE A 9 -31.611 9.121 11.777 1.00 55.53 C ATOM 113 H PHE A 9 -33.298 3.623 13.362 1.00 0.00 H ATOM 114 N ASN A 10 -29.853 2.197 11.833 1.00 54.83 N ATOM 115 CA ASN A 10 -29.341 0.855 12.025 1.00 59.09 C ATOM 116 C ASN A 10 -28.623 0.844 13.373 1.00 66.95 C ATOM 117 O ASN A 10 -28.094 1.866 13.797 1.00 73.06 O ATOM 118 CB ASN A 10 -28.568 0.329 10.803 1.00 63.84 C ATOM 119 CG ASN A 10 -27.079 0.598 10.804 1.00 72.72 C ATOM 120 OD1 ASN A 10 -26.363 0.090 11.663 1.00 82.78 O ATOM 121 ND2 ASN A 10 -26.594 1.339 9.812 1.00 67.98 N ATOM 122 HD22 ASN A 10 -27.238 1.750 9.107 1.00 0.00 H ATOM 123 HD21 ASN A 10 -25.570 1.508 9.742 1.00 0.00 H ATOM 124 H ASN A 10 -29.403 2.829 11.140 1.00 0.00 H ATOM 125 N PRO A 11 -28.691 -0.288 14.115 1.00 65.02 N ATOM 126 CA PRO A 11 -28.076 -0.435 15.436 1.00 55.69 C ATOM 127 C PRO A 11 -26.673 0.137 15.674 1.00 54.92 C ATOM 128 O PRO A 11 -26.376 0.651 16.741 1.00 64.46 O ATOM 129 CB PRO A 11 -27.949 -1.968 15.526 1.00 59.67 C ATOM 130 CG PRO A 11 -29.186 -2.481 14.834 1.00 66.02 C ATOM 131 CD PRO A 11 -29.453 -1.491 13.722 1.00 64.62 C ATOM 132 N MET A 12 -25.778 -0.068 14.713 1.00 62.29 N ATOM 133 CA MET A 12 -24.407 0.402 14.822 1.00 58.80 C ATOM 134 C MET A 12 -24.464 1.901 15.111 1.00 56.08 C ATOM 135 O MET A 12 -23.761 2.377 15.979 1.00 63.37 O ATOM 136 CB MET A 12 -23.649 0.130 13.517 1.00 63.38 C ATOM 137 CG MET A 12 -22.188 0.556 13.517 1.00 71.84 C ATOM 138 SD MET A 12 -21.296 0.226 11.926 1.00 92.63 S ATOM 139 CE MET A 12 -22.568 0.462 10.675 1.00 93.94 C ATOM 140 H MET A 12 -26.068 -0.581 13.856 1.00 0.00 H ATOM 141 N ILE A 13 -25.343 2.615 14.391 1.00 53.74 N ATOM 142 CA ILE A 13 -25.385 4.079 14.412 1.00 54.99 C ATOM 143 C ILE A 13 -25.974 4.498 15.757 1.00 52.19 C ATOM 144 O ILE A 13 -25.425 5.348 16.445 1.00 48.97 O ATOM 145 CB ILE A 13 -26.157 4.650 13.199 1.00 59.10 C ATOM 146 CG1 ILE A 13 -25.305 4.606 11.921 1.00 56.05 C ATOM 147 CG2 ILE A 13 -26.682 6.054 13.494 1.00 55.71 C ATOM 148 CD1 ILE A 13 -26.043 4.962 10.646 1.00 58.64 C ATOM 149 H ILE A 13 -26.024 2.107 13.792 1.00 0.00 H ATOM 150 N VAL A 14 -27.058 3.825 16.146 1.00 52.28 N ATOM 151 CA VAL A 14 -27.713 4.118 17.383 1.00 52.00 C ATOM 152 C VAL A 14 -26.731 3.953 18.551 1.00 54.80 C ATOM 153 O VAL A 14 -26.729 4.763 19.477 1.00 55.11 O ATOM 154 CB VAL A 14 -28.930 3.218 17.601 1.00 45.56 C ATOM 155 CG1 VAL A 14 -29.505 3.483 18.986 1.00 44.77 C ATOM 156 CG2 VAL A 14 -29.978 3.389 16.504 1.00 45.90 C ATOM 157 H VAL A 14 -27.435 3.071 15.537 1.00 0.00 H ATOM 158 N GLU A 15 -25.947 2.874 18.505 1.00 54.32 N ATOM 159 CA GLU A 15 -25.072 2.454 19.590 1.00 59.82 C ATOM 160 C GLU A 15 -23.923 3.462 19.708 1.00 58.02 C ATOM 161 O GLU A 15 -23.548 3.927 20.813 1.00 55.93 O ATOM 162 CB GLU A 15 -24.587 1.030 19.296 1.00 65.00 C ATOM 163 CG GLU A 15 -23.727 0.432 20.397 1.00 69.82 C ATOM 164 CD GLU A 15 -23.611 -1.082 20.345 1.00 82.99 C ATOM 165 OE1 GLU A 15 -24.532 -1.735 19.763 1.00 83.01 O ATOM 166 OE2 GLU A 15 -22.599 -1.615 20.880 1.00 78.46 O ATOM 167 H GLU A 15 -25.962 2.297 17.640 1.00 0.00 H ATOM 168 N LEU A 16 -23.361 3.792 18.543 1.00 57.33 N ATOM 169 CA LEU A 16 -22.325 4.804 18.434 1.00 58.31 C ATOM 170 C LEU A 16 -22.856 6.139 18.987 1.00 57.55 C ATOM 171 O LEU A 16 -22.201 6.774 19.823 1.00 55.04 O ATOM 172 CB LEU A 16 -21.871 4.902 16.969 1.00 58.17 C ATOM 173 CG LEU A 16 -20.781 3.896 16.551 1.00 57.90 C ATOM 174 CD1 LEU A 16 -20.640 3.791 15.032 1.00 50.10 C ATOM 175 CD2 LEU A 16 -19.439 4.266 17.177 1.00 54.37 C ATOM 176 H LEU A 16 -23.677 3.306 17.680 1.00 0.00 H ATOM 177 N ALA A 17 -24.055 6.544 18.552 1.00 53.37 N ATOM 178 CA ALA A 17 -24.646 7.795 18.997 1.00 54.93 C ATOM 179 C ALA A 17 -24.786 7.786 20.528 1.00 58.16 C ATOM 180 O ALA A 17 -24.393 8.772 21.211 1.00 48.92 O ATOM 181 CB ALA A 17 -25.981 8.006 18.314 1.00 59.47 C ATOM 182 H ALA A 17 -24.577 5.948 17.878 1.00 0.00 H ATOM 183 N GLU A 18 -25.336 6.668 21.036 1.00 60.22 N ATOM 184 CA GLU A 18 -25.627 6.432 22.455 1.00 64.40 C ATOM 185 C GLU A 18 -24.320 6.511 23.246 1.00 63.57 C ATOM 186 O GLU A 18 -24.250 7.171 24.302 1.00 63.61 O ATOM 187 CB GLU A 18 -26.305 5.071 22.660 1.00 64.87 C ATOM 188 CG GLU A 18 -27.465 5.080 23.647 1.00 68.91 C ATOM 189 CD GLU A 18 -28.578 4.088 23.338 1.00 72.20 C ATOM 190 OE1 GLU A 18 -28.289 3.057 22.715 1.00 69.63 O ATOM 191 OE2 GLU A 18 -29.745 4.367 23.690 1.00 75.65 O ATOM 192 H GLU A 18 -25.575 5.908 20.368 1.00 0.00 H ATOM 193 N LYS A 19 -23.292 5.832 22.727 1.00 68.40 N ATOM 194 CA LYS A 19 -22.010 5.763 23.412 1.00 71.13 C ATOM 195 C LYS A 19 -21.463 7.188 23.537 1.00 64.22 C ATOM 196 O LYS A 19 -21.055 7.608 24.602 1.00 72.54 O ATOM 197 CB LYS A 19 -21.036 4.831 22.686 1.00 75.95 C ATOM 198 CG LYS A 19 -19.577 5.038 23.080 1.00 84.58 C ATOM 199 CD LYS A 19 -18.592 4.228 22.266 1.00 93.82 C ATOM 200 CE LYS A 19 -17.221 4.869 22.170 1.00 99.07 C ATOM 201 NZ LYS A 19 -16.392 4.209 21.131 1.00102.80 N ATOM 202 HZ1 LYS A 19 -16.273 3.204 21.371 1.00 0.00 H ATOM 203 HZ2 LYS A 19 -16.864 4.293 20.208 1.00 0.00 H ATOM 204 HZ3 LYS A 19 -15.460 4.669 21.089 1.00 0.00 H ATOM 205 H LYS A 19 -23.411 5.344 21.816 1.00 0.00 H ATOM 206 N ALA A 20 -21.496 7.930 22.431 1.00 59.76 N ATOM 207 CA ALA A 20 -20.892 9.243 22.358 1.00 60.76 C ATOM 208 C ALA A 20 -21.549 10.168 23.388 1.00 63.73 C ATOM 209 O ALA A 20 -20.852 10.791 24.149 1.00 70.89 O ATOM 210 CB ALA A 20 -21.007 9.789 20.956 1.00 61.73 C ATOM 211 H ALA A 20 -21.974 7.551 21.588 1.00 0.00 H ATOM 212 N MET A 21 -22.889 10.214 23.427 1.00 65.19 N ATOM 213 CA MET A 21 -23.613 11.035 24.411 1.00 62.70 C ATOM 214 C MET A 21 -23.223 10.620 25.839 1.00 67.11 C ATOM 215 O MET A 21 -22.781 11.465 26.643 1.00 63.27 O ATOM 216 CB MET A 21 -25.128 10.919 24.232 1.00 57.20 C ATOM 217 CG MET A 21 -25.620 11.644 23.007 1.00 57.16 C ATOM 218 SD MET A 21 -27.397 11.462 22.742 1.00 66.08 S ATOM 219 CE MET A 21 -27.971 12.954 23.541 1.00 60.95 C ATOM 220 H MET A 21 -23.433 9.652 22.741 1.00 0.00 H ATOM 221 N LYS A 22 -23.330 9.313 26.119 1.00 72.59 N ATOM 222 CA LYS A 22 -23.240 8.762 27.488 1.00 76.43 C ATOM 223 C LYS A 22 -21.825 8.903 28.072 1.00 71.74 C ATOM 224 O LYS A 22 -21.666 8.965 29.261 1.00 77.16 O ATOM 225 CB LYS A 22 -23.748 7.317 27.499 1.00 75.97 C ATOM 226 CG LYS A 22 -25.249 7.205 27.264 1.00 81.92 C ATOM 227 CD LYS A 22 -25.749 5.808 27.007 1.00 88.06 C ATOM 228 CE LYS A 22 -26.119 5.059 28.268 1.00 91.97 C ATOM 229 NZ LYS A 22 -26.305 3.618 27.985 1.00102.06 N ATOM 230 HZ1 LYS A 22 -27.066 3.499 27.287 1.00 0.00 H ATOM 231 HZ2 LYS A 22 -25.420 3.223 27.606 1.00 0.00 H ATOM 232 HZ3 LYS A 22 -26.558 3.123 28.864 1.00 0.00 H ATOM 233 H LYS A 22 -23.485 8.652 25.331 1.00 0.00 H ATOM 234 N GLU A 23 -20.792 8.996 27.246 1.00 73.76 N ATOM 235 CA GLU A 23 -19.465 9.233 27.790 1.00 78.39 C ATOM 236 C GLU A 23 -19.352 10.664 28.315 1.00 71.13 C ATOM 237 O GLU A 23 -18.594 10.910 29.247 1.00 75.25 O ATOM 238 CB GLU A 23 -18.392 8.952 26.744 1.00 79.42 C ATOM 239 CG GLU A 23 -18.124 7.472 26.596 1.00 79.62 C ATOM 240 CD GLU A 23 -17.157 7.147 25.480 1.00 93.82 C ATOM 241 OE1 GLU A 23 -16.928 5.944 25.264 1.00104.26 O ATOM 242 OE2 GLU A 23 -16.654 8.097 24.820 1.00 91.40 O ATOM 243 H GLU A 23 -20.930 8.900 26.220 1.00 0.00 H ATOM 244 N TYR A 24 -20.108 11.585 27.719 1.00 70.27 N ATOM 245 CA TYR A 24 -20.015 13.000 28.057 1.00 77.20 C ATOM 246 C TYR A 24 -21.235 13.433 28.887 1.00 72.28 C ATOM 247 O TYR A 24 -21.620 14.577 28.864 1.00 64.01 O ATOM 248 CB TYR A 24 -19.792 13.798 26.768 1.00 79.54 C ATOM 249 CG TYR A 24 -18.611 13.292 25.968 1.00 93.62 C ATOM 250 CD1 TYR A 24 -17.319 13.735 26.218 1.00 96.34 C ATOM 251 CD2 TYR A 24 -18.762 12.328 24.980 1.00102.49 C ATOM 252 CE1 TYR A 24 -16.229 13.251 25.502 1.00 95.41 C ATOM 253 CE2 TYR A 24 -17.686 11.839 24.246 1.00 95.52 C ATOM 254 CZ TYR A 24 -16.406 12.300 24.508 1.00 92.18 C ATOM 255 OH TYR A 24 -15.326 11.840 23.803 1.00 72.93 O ATOM 256 HH TYR A 24 -14.505 12.284 24.133 1.00 0.00 H ATOM 257 H TYR A 24 -20.786 11.285 26.990 1.00 0.00 H ATOM 258 N GLY A 25 -21.821 12.504 29.648 1.00 68.49 N ATOM 259 CA GLY A 25 -22.792 12.832 30.684 1.00 67.22 C ATOM 260 C GLY A 25 -24.177 13.153 30.142 1.00 77.04 C ATOM 261 O GLY A 25 -25.055 13.590 30.892 1.00 76.92 O ATOM 262 H GLY A 25 -21.574 11.506 29.495 1.00 0.00 H ATOM 263 N GLU A 26 -24.409 12.892 28.851 1.00 84.61 N ATOM 264 CA GLU A 26 -25.658 13.264 28.220 1.00 75.80 C ATOM 265 C GLU A 26 -26.551 12.031 28.038 1.00 71.73 C ATOM 266 O GLU A 26 -26.100 11.004 27.565 1.00 72.16 O ATOM 267 CB GLU A 26 -25.369 13.976 26.904 1.00 76.60 C ATOM 268 CG GLU A 26 -26.316 15.146 26.688 1.00 90.30 C ATOM 269 CD GLU A 26 -25.767 16.251 25.805 1.00 98.34 C ATOM 270 OE1 GLU A 26 -24.606 16.072 25.299 1.00 73.74 O ATOM 271 OE2 GLU A 26 -26.501 17.284 25.622 1.00 87.91 O ATOM 272 H GLU A 26 -23.677 12.412 28.289 1.00 0.00 H ATOM 273 N ASP A 27 -27.833 12.172 28.402 1.00 67.09 N ATOM 274 CA ASP A 27 -28.806 11.081 28.378 1.00 62.36 C ATOM 275 C ASP A 27 -29.693 11.152 27.131 1.00 58.11 C ATOM 276 O ASP A 27 -30.488 12.074 26.958 1.00 58.28 O ATOM 277 CB ASP A 27 -29.662 11.122 29.641 1.00 65.47 C ATOM 278 CG ASP A 27 -30.647 9.975 29.761 1.00 62.97 C ATOM 279 OD1 ASP A 27 -30.606 9.054 28.916 1.00 59.70 O ATOM 280 OD2 ASP A 27 -31.448 10.024 30.697 1.00 66.48 O ATOM 281 H ASP A 27 -28.153 13.109 28.719 1.00 0.00 H ATOM 282 N PRO A 28 -29.630 10.151 26.229 1.00 59.38 N ATOM 283 CA PRO A 28 -30.442 10.157 25.013 1.00 58.17 C ATOM 284 C PRO A 28 -31.961 10.061 25.217 1.00 59.92 C ATOM 285 O PRO A 28 -32.719 10.252 24.260 1.00 56.22 O ATOM 286 CB PRO A 28 -29.973 8.904 24.251 1.00 58.21 C ATOM 287 CG PRO A 28 -28.625 8.561 24.839 1.00 60.44 C ATOM 288 CD PRO A 28 -28.714 9.000 26.284 1.00 64.05 C ATOM 289 N LYS A 29 -32.380 9.726 26.441 1.00 62.41 N ATOM 290 CA LYS A 29 -33.785 9.632 26.781 1.00 61.78 C ATOM 291 C LYS A 29 -34.345 11.029 27.077 1.00 60.16 C ATOM 292 O LYS A 29 -35.566 11.246 27.035 1.00 63.82 O ATOM 293 CB LYS A 29 -33.947 8.667 27.953 1.00 67.44 C ATOM 294 CG LYS A 29 -34.111 7.223 27.527 1.00 76.45 C ATOM 295 CD LYS A 29 -33.431 6.198 28.402 1.00 84.94 C ATOM 296 CE LYS A 29 -34.026 4.813 28.217 1.00 89.18 C ATOM 297 NZ LYS A 29 -33.024 3.748 28.457 1.00 94.46 N ATOM 298 HZ1 LYS A 29 -32.236 3.858 27.787 1.00 0.00 H ATOM 299 HZ2 LYS A 29 -32.666 3.823 29.431 1.00 0.00 H ATOM 300 HZ3 LYS A 29 -33.469 2.818 28.321 1.00 0.00 H ATOM 301 H LYS A 29 -31.672 9.526 27.176 1.00 0.00 H ATOM 302 N ILE A 30 -33.443 11.978 27.346 1.00 58.50 N ATOM 303 CA ILE A 30 -33.804 13.338 27.724 1.00 59.87 C ATOM 304 C ILE A 30 -33.494 14.258 26.539 1.00 57.92 C ATOM 305 O ILE A 30 -34.381 14.901 25.973 1.00 63.20 O ATOM 306 CB ILE A 30 -33.055 13.747 29.012 1.00 58.79 C ATOM 307 CG1 ILE A 30 -33.556 12.974 30.234 1.00 59.45 C ATOM 308 CG2 ILE A 30 -33.123 15.248 29.239 1.00 55.84 C ATOM 309 CD1 ILE A 30 -32.541 12.922 31.373 1.00 70.02 C ATOM 310 H ILE A 30 -32.434 11.734 27.282 1.00 0.00 H ATOM 311 N GLU A 31 -32.221 14.288 26.151 1.00 58.28 N ATOM 312 CA GLU A 31 -31.783 15.131 25.075 1.00 62.63 C ATOM 313 C GLU A 31 -32.025 14.378 23.760 1.00 55.53 C ATOM 314 O GLU A 31 -31.111 14.072 23.023 1.00 50.14 O ATOM 315 CB GLU A 31 -30.334 15.570 25.330 1.00 72.75 C ATOM 316 CG GLU A 31 -30.196 16.657 26.406 1.00 79.46 C ATOM 317 CD GLU A 31 -31.139 17.859 26.280 1.00 90.24 C ATOM 318 OE1 GLU A 31 -31.996 18.035 27.185 1.00 89.54 O ATOM 319 OE2 GLU A 31 -31.029 18.627 25.278 1.00 80.45 O ATOM 320 H GLU A 31 -31.527 13.686 26.639 1.00 0.00 H ATOM 321 N THR A 32 -33.301 14.110 23.477 1.00 55.71 N ATOM 322 CA THR A 32 -33.688 13.159 22.463 1.00 57.62 C ATOM 323 C THR A 32 -33.511 13.769 21.068 1.00 54.38 C ATOM 324 O THR A 32 -33.192 13.055 20.151 1.00 54.56 O ATOM 325 CB THR A 32 -35.131 12.705 22.689 1.00 57.71 C ATOM 326 OG1 THR A 32 -35.892 13.911 22.736 1.00 66.83 O ATOM 327 CG2 THR A 32 -35.303 11.890 23.951 1.00 56.13 C ATOM 328 HG1 THR A 32 -36.846 13.692 22.881 1.00 0.00 H ATOM 329 H THR A 32 -34.046 14.606 24.008 1.00 0.00 H ATOM 330 N ASN A 33 -33.776 15.071 20.913 1.00 49.72 N ATOM 331 CA ASN A 33 -33.591 15.739 19.625 1.00 47.06 C ATOM 332 C ASN A 33 -32.100 15.724 19.278 1.00 43.00 C ATOM 333 O ASN A 33 -31.722 15.628 18.116 1.00 42.29 O ATOM 334 CB ASN A 33 -34.156 17.166 19.568 1.00 47.44 C ATOM 335 CG ASN A 33 -35.668 17.256 19.604 1.00 57.48 C ATOM 336 OD1 ASN A 33 -36.370 16.243 19.566 1.00 72.39 O ATOM 337 ND2 ASN A 33 -36.189 18.468 19.719 1.00 51.71 N ATOM 338 HD22 ASN A 33 -35.567 19.301 19.748 1.00 0.00 H ATOM 339 HD21 ASN A 33 -37.220 18.587 19.780 1.00 0.00 H ATOM 340 H ASN A 33 -34.121 15.620 21.726 1.00 0.00 H ATOM 341 N LYS A 34 -31.235 15.810 20.284 1.00 47.39 N ATOM 342 CA LYS A 34 -29.777 15.767 20.027 1.00 48.05 C ATOM 343 C LYS A 34 -29.380 14.390 19.472 1.00 49.70 C ATOM 344 O LYS A 34 -28.684 14.268 18.480 1.00 56.91 O ATOM 345 CB LYS A 34 -29.004 16.060 21.309 1.00 49.47 C ATOM 346 CG LYS A 34 -27.533 16.368 21.095 1.00 55.77 C ATOM 347 CD LYS A 34 -26.886 17.020 22.294 1.00 64.52 C ATOM 348 CE LYS A 34 -25.524 17.597 21.970 1.00 74.79 C ATOM 349 NZ LYS A 34 -25.032 18.453 23.075 1.00 80.09 N ATOM 350 HZ1 LYS A 34 -25.698 19.237 23.228 1.00 0.00 H ATOM 351 HZ2 LYS A 34 -24.956 17.886 23.944 1.00 0.00 H ATOM 352 HZ3 LYS A 34 -24.097 18.835 22.826 1.00 0.00 H ATOM 353 H LYS A 34 -31.585 15.908 21.259 1.00 0.00 H ATOM 354 N PHE A 35 -29.861 13.352 20.142 1.00 48.71 N ATOM 355 CA PHE A 35 -29.697 11.949 19.778 1.00 50.41 C ATOM 356 C PHE A 35 -30.091 11.705 18.306 1.00 45.66 C ATOM 357 O PHE A 35 -29.329 11.116 17.517 1.00 42.62 O ATOM 358 CB PHE A 35 -30.549 11.153 20.772 1.00 50.31 C ATOM 359 CG PHE A 35 -30.481 9.658 20.693 1.00 53.12 C ATOM 360 CD1 PHE A 35 -29.303 9.006 20.335 1.00 56.51 C ATOM 361 CD2 PHE A 35 -31.607 8.901 21.018 1.00 53.72 C ATOM 362 CE1 PHE A 35 -29.267 7.616 20.286 1.00 55.05 C ATOM 363 CE2 PHE A 35 -31.558 7.515 20.988 1.00 53.34 C ATOM 364 CZ PHE A 35 -30.390 6.881 20.619 1.00 53.39 C ATOM 365 H PHE A 35 -30.404 13.556 21.005 1.00 0.00 H ATOM 366 N ALA A 36 -31.308 12.115 17.946 1.00 41.39 N ATOM 367 CA ALA A 36 -31.787 12.016 16.561 1.00 43.63 C ATOM 368 C ALA A 36 -30.771 12.658 15.614 1.00 45.79 C ATOM 369 O ALA A 36 -30.448 12.072 14.624 1.00 53.11 O ATOM 370 CB ALA A 36 -33.140 12.673 16.409 1.00 40.15 C ATOM 371 H ALA A 36 -31.938 12.518 18.669 1.00 0.00 H ATOM 372 N ALA A 37 -30.286 13.863 15.963 1.00 49.49 N ATOM 373 CA ALA A 37 -29.390 14.693 15.131 1.00 45.11 C ATOM 374 C ALA A 37 -28.054 14.002 14.908 1.00 42.91 C ATOM 375 O ALA A 37 -27.523 14.045 13.807 1.00 43.56 O ATOM 376 CB ALA A 37 -29.132 16.038 15.756 1.00 43.93 C ATOM 377 H ALA A 37 -30.563 14.240 16.892 1.00 0.00 H ATOM 378 N ILE A 38 -27.510 13.434 15.982 1.00 44.00 N ATOM 379 CA ILE A 38 -26.241 12.713 15.916 1.00 49.27 C ATOM 380 C ILE A 38 -26.368 11.483 14.990 1.00 46.16 C ATOM 381 O ILE A 38 -25.505 11.245 14.141 1.00 41.65 O ATOM 382 CB ILE A 38 -25.775 12.340 17.336 1.00 52.96 C ATOM 383 CG1 ILE A 38 -25.438 13.609 18.138 1.00 52.76 C ATOM 384 CG2 ILE A 38 -24.612 11.356 17.240 1.00 55.06 C ATOM 385 CD1 ILE A 38 -24.852 13.386 19.516 1.00 53.75 C ATOM 386 H ILE A 38 -28.003 13.506 16.895 1.00 0.00 H ATOM 387 N CYS A 39 -27.457 10.725 15.156 1.00 44.21 N ATOM 388 CA CYS A 39 -27.717 9.563 14.366 1.00 44.66 C ATOM 389 C CYS A 39 -27.733 9.993 12.903 1.00 46.41 C ATOM 390 O CYS A 39 -27.111 9.317 12.027 1.00 48.16 O ATOM 391 CB CYS A 39 -29.023 8.874 14.766 1.00 45.89 C ATOM 392 SG CYS A 39 -28.899 7.938 16.322 1.00 46.83 S ATOM 393 H CYS A 39 -28.143 10.992 15.890 1.00 0.00 H ATOM 394 N THR A 40 -28.417 11.121 12.662 1.00 46.98 N ATOM 395 CA THR A 40 -28.668 11.642 11.310 1.00 44.30 C ATOM 396 C THR A 40 -27.320 11.973 10.668 1.00 47.24 C ATOM 397 O THR A 40 -27.059 11.570 9.532 1.00 52.74 O ATOM 398 CB THR A 40 -29.653 12.821 11.318 1.00 44.57 C ATOM 399 OG1 THR A 40 -30.953 12.452 11.800 1.00 41.85 O ATOM 400 CG2 THR A 40 -29.868 13.385 9.931 1.00 49.18 C ATOM 401 HG1 THR A 40 -30.876 12.114 12.727 1.00 0.00 H ATOM 402 H THR A 40 -28.789 11.655 13.473 1.00 0.00 H ATOM 403 N HIS A 41 -26.456 12.655 11.433 1.00 46.40 N ATOM 404 CA HIS A 41 -25.181 13.146 10.928 1.00 46.01 C ATOM 405 C HIS A 41 -24.248 11.960 10.689 1.00 47.92 C ATOM 406 O HIS A 41 -23.447 11.983 9.757 1.00 44.62 O ATOM 407 CB HIS A 41 -24.561 14.184 11.871 1.00 39.72 C ATOM 408 CG HIS A 41 -23.173 14.608 11.513 1.00 41.18 C ATOM 409 ND1 HIS A 41 -22.043 13.988 12.057 1.00 46.55 N ATOM 410 CD2 HIS A 41 -22.709 15.619 10.731 1.00 40.59 C ATOM 411 CE1 HIS A 41 -20.944 14.580 11.605 1.00 41.17 C ATOM 412 NE2 HIS A 41 -21.325 15.595 10.792 1.00 43.77 N ATOM 413 H HIS A 41 -26.706 12.841 12.425 1.00 0.00 H ATOM 414 N LEU A 42 -24.354 10.945 11.544 1.00 44.47 N ATOM 415 CA LEU A 42 -23.549 9.753 11.354 1.00 51.48 C ATOM 416 C LEU A 42 -23.959 9.031 10.063 1.00 45.53 C ATOM 417 O LEU A 42 -23.118 8.721 9.234 1.00 44.00 O ATOM 418 CB LEU A 42 -23.669 8.835 12.571 1.00 57.18 C ATOM 419 CG LEU A 42 -22.441 8.815 13.474 1.00 60.02 C ATOM 420 CD1 LEU A 42 -22.787 8.295 14.859 1.00 72.43 C ATOM 421 CD2 LEU A 42 -21.362 7.967 12.840 1.00 62.96 C ATOM 422 H LEU A 42 -25.013 11.006 12.347 1.00 0.00 H ATOM 423 N GLU A 43 -25.252 8.774 9.902 1.00 41.02 N ATOM 424 CA GLU A 43 -25.711 8.075 8.753 1.00 42.72 C ATOM 425 C GLU A 43 -25.224 8.781 7.480 1.00 45.12 C ATOM 426 O GLU A 43 -24.905 8.110 6.503 1.00 48.50 O ATOM 427 CB GLU A 43 -27.235 7.953 8.745 1.00 47.94 C ATOM 428 CG GLU A 43 -27.746 7.046 7.631 1.00 49.41 C ATOM 429 CD GLU A 43 -29.182 6.577 7.749 1.00 50.01 C ATOM 430 OE1 GLU A 43 -30.018 7.351 8.194 1.00 49.59 O ATOM 431 OE2 GLU A 43 -29.461 5.433 7.378 1.00 67.92 O ATOM 432 H GLU A 43 -25.934 9.087 10.622 1.00 0.00 H ATOM 433 N VAL A 44 -25.220 10.121 7.471 1.00 42.02 N ATOM 434 CA VAL A 44 -24.847 10.884 6.290 1.00 37.05 C ATOM 435 C VAL A 44 -23.357 10.658 6.078 1.00 37.40 C ATOM 436 O VAL A 44 -22.918 10.318 4.997 1.00 48.43 O ATOM 437 CB VAL A 44 -25.179 12.392 6.402 1.00 37.80 C ATOM 438 CG1 VAL A 44 -24.396 13.234 5.424 1.00 34.35 C ATOM 439 CG2 VAL A 44 -26.647 12.682 6.205 1.00 42.53 C ATOM 440 H VAL A 44 -25.492 10.631 8.335 1.00 0.00 H ATOM 441 N CYS A 45 -22.587 10.864 7.136 1.00 41.65 N ATOM 442 CA CYS A 45 -21.142 10.652 7.095 1.00 46.24 C ATOM 443 C CYS A 45 -20.824 9.276 6.473 1.00 49.50 C ATOM 444 O CYS A 45 -19.996 9.205 5.577 1.00 47.53 O ATOM 445 CB CYS A 45 -20.536 10.849 8.482 1.00 43.01 C ATOM 446 SG CYS A 45 -20.250 12.607 8.868 1.00 48.56 S ATOM 447 H CYS A 45 -23.024 11.186 8.023 1.00 0.00 H ATOM 448 N PHE A 46 -21.524 8.217 6.921 1.00 47.89 N ATOM 449 CA PHE A 46 -21.311 6.861 6.465 1.00 45.89 C ATOM 450 C PHE A 46 -21.758 6.712 5.007 1.00 47.24 C ATOM 451 O PHE A 46 -21.075 6.090 4.210 1.00 49.05 O ATOM 452 CB PHE A 46 -22.063 5.856 7.340 1.00 45.71 C ATOM 453 CG PHE A 46 -21.476 5.604 8.707 1.00 50.49 C ATOM 454 CD1 PHE A 46 -20.204 6.039 9.046 1.00 53.95 C ATOM 455 CD2 PHE A 46 -22.210 4.926 9.669 1.00 54.97 C ATOM 456 CE1 PHE A 46 -19.697 5.836 10.322 1.00 55.36 C ATOM 457 CE2 PHE A 46 -21.687 4.696 10.932 1.00 53.98 C ATOM 458 CZ PHE A 46 -20.435 5.150 11.259 1.00 50.27 C ATOM 459 H PHE A 46 -22.260 8.383 7.636 1.00 0.00 H ATOM 460 N MET A 47 -22.925 7.256 4.668 1.00 45.63 N ATOM 461 CA MET A 47 -23.422 7.137 3.315 1.00 46.86 C ATOM 462 C MET A 47 -22.440 7.806 2.345 1.00 50.77 C ATOM 463 O MET A 47 -22.281 7.341 1.228 1.00 50.10 O ATOM 464 CB MET A 47 -24.782 7.813 3.145 1.00 47.30 C ATOM 465 CG MET A 47 -25.949 7.085 3.754 1.00 48.87 C ATOM 466 SD MET A 47 -27.449 8.084 3.538 1.00 54.77 S ATOM 467 CE MET A 47 -28.166 7.334 2.075 1.00 59.93 C ATOM 468 H MET A 47 -23.482 7.769 5.380 1.00 0.00 H ATOM 469 N TYR A 48 -21.855 8.939 2.766 1.00 50.85 N ATOM 470 CA TYR A 48 -20.985 9.737 1.921 1.00 51.32 C ATOM 471 C TYR A 48 -19.782 8.875 1.562 1.00 55.12 C ATOM 472 O TYR A 48 -19.425 8.754 0.376 1.00 51.91 O ATOM 473 CB TYR A 48 -20.560 11.002 2.658 1.00 49.02 C ATOM 474 CG TYR A 48 -20.086 12.168 1.829 1.00 48.77 C ATOM 475 CD1 TYR A 48 -18.869 12.162 1.174 1.00 47.15 C ATOM 476 CD2 TYR A 48 -20.816 13.348 1.816 1.00 53.49 C ATOM 477 CE1 TYR A 48 -18.428 13.273 0.465 1.00 51.97 C ATOM 478 CE2 TYR A 48 -20.383 14.474 1.132 1.00 51.35 C ATOM 479 CZ TYR A 48 -19.182 14.439 0.451 1.00 51.45 C ATOM 480 OH TYR A 48 -18.793 15.565 -0.223 1.00 50.90 O ATOM 481 HH TYR A 48 -19.472 15.789 -0.908 1.00 0.00 H ATOM 482 H TYR A 48 -22.033 9.259 3.740 1.00 0.00 H ATOM 483 N SER A 49 -19.237 8.243 2.614 1.00 57.19 N ATOM 484 CA SER A 49 -18.092 7.319 2.582 1.00 58.51 C ATOM 485 C SER A 49 -18.331 6.127 1.641 1.00 59.02 C ATOM 486 O SER A 49 -17.422 5.669 0.934 1.00 62.44 O ATOM 487 CB SER A 49 -17.803 6.821 3.947 1.00 51.14 C ATOM 488 OG SER A 49 -16.634 6.036 3.899 1.00 63.82 O ATOM 489 HG SER A 49 -16.775 5.273 3.284 1.00 0.00 H ATOM 490 H SER A 49 -19.667 8.424 3.544 1.00 0.00 H ATOM 491 N ASP A 50 -19.566 5.644 1.628 1.00 54.68 N ATOM 492 CA ASP A 50 -19.886 4.428 0.972 1.00 69.09 C ATOM 493 C ASP A 50 -19.944 4.650 -0.533 1.00 72.82 C ATOM 494 O ASP A 50 -19.733 3.707 -1.266 1.00 83.64 O ATOM 495 CB ASP A 50 -21.168 3.818 1.539 1.00 70.91 C ATOM 496 CG ASP A 50 -20.928 3.091 2.856 1.00 77.83 C ATOM 497 OD1 ASP A 50 -19.727 2.818 3.199 1.00 76.23 O ATOM 498 OD2 ASP A 50 -21.929 2.818 3.543 1.00 82.05 O ATOM 499 H ASP A 50 -20.320 6.171 2.112 1.00 0.00 H ATOM 500 N PHE A 51 -20.149 5.899 -0.962 1.00 84.03 N ATOM 501 CA PHE A 51 -20.151 6.255 -2.387 1.00 86.56 C ATOM 502 C PHE A 51 -18.716 6.475 -2.877 1.00 77.40 C ATOM 503 O PHE A 51 -18.496 7.240 -3.800 1.00 86.88 O ATOM 504 CB PHE A 51 -21.060 7.463 -2.635 1.00 91.20 C ATOM 505 CG PHE A 51 -22.499 7.249 -2.227 1.00 90.32 C ATOM 506 CD1 PHE A 51 -23.200 6.130 -2.647 1.00 92.98 C ATOM 507 CD2 PHE A 51 -23.159 8.167 -1.425 1.00 89.41 C ATOM 508 CE1 PHE A 51 -24.521 5.932 -2.271 1.00 94.19 C ATOM 509 CE2 PHE A 51 -24.481 7.968 -1.053 1.00 92.86 C ATOM 510 CZ PHE A 51 -25.161 6.850 -1.474 1.00 92.33 C ATOM 511 H PHE A 51 -20.314 6.648 -0.260 1.00 0.00 H ATOM 512 N GLY A 52 -17.763 5.781 -2.247 1.00 78.41 N ATOM 513 CA GLY A 52 -16.407 5.629 -2.729 1.00 86.22 C ATOM 514 C GLY A 52 -15.900 4.219 -2.478 1.00 92.92 C ATOM 515 O GLY A 52 -16.604 3.235 -2.736 1.00 86.85 O ATOM 516 H GLY A 52 -18.013 5.319 -1.349 1.00 0.00 H TER 517 GLY A 52 ATOM 518 N LEU A 72 -9.662 3.628 -7.733 1.00106.40 N ATOM 519 CA LEU A 72 -9.728 3.986 -6.307 1.00113.43 C ATOM 520 C LEU A 72 -11.129 3.677 -5.745 1.00111.39 C ATOM 521 O LEU A 72 -12.013 4.531 -5.793 1.00109.63 O ATOM 522 CB LEU A 72 -9.369 5.473 -6.166 1.00112.43 C ATOM 523 CG LEU A 72 -8.900 5.940 -4.784 1.00108.14 C ATOM 524 CD1 LEU A 72 -7.652 5.193 -4.321 1.00104.69 C ATOM 525 CD2 LEU A 72 -8.650 7.441 -4.791 1.00104.07 C ATOM 526 HN3 LEU A 72 -10.370 4.178 -8.260 1.00 0.00 H ATOM 527 HN2 LEU A 72 -9.857 2.613 -7.844 1.00 0.00 H ATOM 528 HN1 LEU A 72 -8.712 3.841 -8.099 1.00 0.00 H ATOM 529 N LYS A 73 -11.309 2.457 -5.208 1.00112.74 N ATOM 530 CA LYS A 73 -12.570 1.997 -4.578 1.00114.04 C ATOM 531 C LYS A 73 -12.657 2.536 -3.139 1.00113.11 C ATOM 532 O LYS A 73 -13.747 2.858 -2.640 1.00104.33 O ATOM 533 CB LYS A 73 -12.655 0.465 -4.581 1.00113.16 C ATOM 534 CG LYS A 73 -12.757 -0.197 -5.952 1.00114.84 C ATOM 535 CD LYS A 73 -14.171 -0.534 -6.403 1.00115.68 C ATOM 536 CE LYS A 73 -14.205 -1.389 -7.657 1.00112.62 C ATOM 537 NZ LYS A 73 -15.321 -1.020 -8.563 1.00105.83 N ATOM 538 HZ1 LYS A 73 -16.226 -1.143 -8.065 1.00 0.00 H ATOM 539 HZ2 LYS A 73 -15.216 -0.027 -8.853 1.00 0.00 H ATOM 540 HZ3 LYS A 73 -15.300 -1.632 -9.403 1.00 0.00 H ATOM 541 H LYS A 73 -10.510 1.792 -5.237 1.00 0.00 H ATOM 542 N HIS A 74 -11.497 2.620 -2.478 1.00107.37 N ATOM 543 CA HIS A 74 -11.359 3.259 -1.167 1.00105.44 C ATOM 544 C HIS A 74 -11.133 4.769 -1.350 1.00 93.98 C ATOM 545 O HIS A 74 -10.010 5.244 -1.143 1.00 97.35 O ATOM 546 CB HIS A 74 -10.210 2.581 -0.402 1.00111.42 C ATOM 547 CG HIS A 74 -10.155 2.902 1.056 1.00116.94 C ATOM 548 ND1 HIS A 74 -11.100 2.437 1.954 1.00114.74 N ATOM 549 CD2 HIS A 74 -9.256 3.605 1.781 1.00116.18 C ATOM 550 CE1 HIS A 74 -10.798 2.858 3.165 1.00116.17 C ATOM 551 NE2 HIS A 74 -9.672 3.580 3.085 1.00115.13 N ATOM 552 H HIS A 74 -10.648 2.210 -2.918 1.00 0.00 H ATOM 553 N ARG A 75 -12.177 5.509 -1.770 1.00 76.82 N ATOM 554 CA ARG A 75 -12.021 6.944 -2.108 1.00 68.07 C ATOM 555 C ARG A 75 -11.906 7.783 -0.824 1.00 69.68 C ATOM 556 O ARG A 75 -11.069 8.660 -0.738 1.00 66.04 O ATOM 557 CB ARG A 75 -13.162 7.512 -2.962 1.00 61.47 C ATOM 558 CG ARG A 75 -13.069 9.026 -3.093 1.00 62.36 C ATOM 559 CD ARG A 75 -13.907 9.772 -4.123 1.00 60.02 C ATOM 560 NE ARG A 75 -13.525 11.193 -4.101 1.00 58.01 N ATOM 561 CZ ARG A 75 -14.020 12.145 -4.886 1.00 56.67 C ATOM 562 NH1 ARG A 75 -14.883 11.848 -5.841 1.00 54.04 N ATOM 563 NH2 ARG A 75 -13.653 13.400 -4.709 1.00 57.98 N ATOM 564 HE ARG A 75 -12.803 11.478 -3.409 1.00 0.00 H ATOM 565 HH12 ARG A 75 -15.264 12.600 -6.450 1.00 0.00 H ATOM 566 HH11 ARG A 75 -15.181 10.862 -5.984 1.00 0.00 H ATOM 567 HH22 ARG A 75 -14.039 14.146 -5.322 1.00 0.00 H ATOM 568 HH21 ARG A 75 -12.978 13.643 -3.956 1.00 0.00 H ATOM 569 H ARG A 75 -13.113 5.064 -1.859 1.00 0.00 H ATOM 570 N PHE A 76 -12.773 7.506 0.156 1.00 68.30 N ATOM 571 CA PHE A 76 -12.871 8.270 1.365 1.00 57.52 C ATOM 572 C PHE A 76 -12.355 7.460 2.546 1.00 60.51 C ATOM 573 O PHE A 76 -12.428 6.244 2.531 1.00 68.28 O ATOM 574 CB PHE A 76 -14.320 8.658 1.621 1.00 51.10 C ATOM 575 CG PHE A 76 -14.905 9.509 0.530 1.00 50.06 C ATOM 576 CD1 PHE A 76 -14.485 10.815 0.356 1.00 50.94 C ATOM 577 CD2 PHE A 76 -15.899 9.021 -0.299 1.00 52.15 C ATOM 578 CE1 PHE A 76 -15.027 11.615 -0.641 1.00 50.30 C ATOM 579 CE2 PHE A 76 -16.442 9.819 -1.294 1.00 55.18 C ATOM 580 CZ PHE A 76 -16.010 11.118 -1.460 1.00 54.85 C ATOM 581 H PHE A 76 -13.410 6.693 0.034 1.00 0.00 H ATOM 582 N GLU A 77 -11.835 8.177 3.549 1.00 62.63 N ATOM 583 CA GLU A 77 -11.516 7.652 4.884 1.00 64.06 C ATOM 584 C GLU A 77 -12.500 8.235 5.904 1.00 58.47 C ATOM 585 O GLU A 77 -12.631 9.428 6.017 1.00 68.30 O ATOM 586 CB GLU A 77 -10.094 8.029 5.314 1.00 70.61 C ATOM 587 CG GLU A 77 -9.596 7.240 6.523 1.00 74.88 C ATOM 588 CD GLU A 77 -9.400 5.773 6.195 1.00 75.10 C ATOM 589 OE1 GLU A 77 -8.654 5.501 5.231 1.00 68.30 O ATOM 590 OE2 GLU A 77 -10.055 4.927 6.842 1.00 76.68 O ATOM 591 H GLU A 77 -11.642 9.183 3.370 1.00 0.00 H ATOM 592 N ILE A 78 -13.154 7.371 6.673 1.00 64.05 N ATOM 593 CA ILE A 78 -14.130 7.808 7.657 1.00 61.44 C ATOM 594 C ILE A 78 -13.377 8.202 8.943 1.00 67.26 C ATOM 595 O ILE A 78 -12.556 7.418 9.505 1.00 65.04 O ATOM 596 CB ILE A 78 -15.206 6.724 7.866 1.00 61.28 C ATOM 597 CG1 ILE A 78 -16.272 7.161 8.870 1.00 77.13 C ATOM 598 CG2 ILE A 78 -14.594 5.398 8.267 1.00 64.93 C ATOM 599 CD1 ILE A 78 -17.235 8.199 8.327 1.00 84.03 C ATOM 600 H ILE A 78 -12.962 6.354 6.568 1.00 0.00 H ATOM 601 N ILE A 79 -13.619 9.435 9.406 1.00 60.84 N ATOM 602 CA ILE A 79 -13.040 9.893 10.666 1.00 59.50 C ATOM 603 C ILE A 79 -14.124 9.953 11.747 1.00 53.90 C ATOM 604 O ILE A 79 -13.895 9.512 12.879 1.00 53.15 O ATOM 605 CB ILE A 79 -12.315 11.230 10.472 1.00 67.08 C ATOM 606 CG1 ILE A 79 -11.223 11.103 9.411 1.00 70.98 C ATOM 607 CG2 ILE A 79 -11.748 11.735 11.793 1.00 72.58 C ATOM 608 CD1 ILE A 79 -10.771 12.430 8.876 1.00 78.56 C ATOM 609 H ILE A 79 -14.229 10.076 8.860 1.00 0.00 H ATOM 610 N GLU A 80 -15.298 10.486 11.389 1.00 53.28 N ATOM 611 CA GLU A 80 -16.452 10.524 12.282 1.00 55.73 C ATOM 612 C GLU A 80 -16.866 9.101 12.679 1.00 56.33 C ATOM 613 O GLU A 80 -16.924 8.182 11.868 1.00 61.34 O ATOM 614 CB GLU A 80 -17.642 11.223 11.626 1.00 62.01 C ATOM 615 CG GLU A 80 -18.795 11.496 12.588 1.00 64.40 C ATOM 616 CD GLU A 80 -18.501 12.495 13.699 1.00 63.24 C ATOM 617 OE1 GLU A 80 -18.602 12.123 14.879 1.00 69.53 O ATOM 618 OE2 GLU A 80 -18.181 13.653 13.384 1.00 69.21 O ATOM 619 H GLU A 80 -15.392 10.890 10.435 1.00 0.00 H ATOM 620 N GLY A 81 -17.150 8.931 13.963 1.00 53.88 N ATOM 621 CA GLY A 81 -17.697 7.697 14.443 1.00 60.48 C ATOM 622 C GLY A 81 -16.652 6.801 15.072 1.00 55.95 C ATOM 623 O GLY A 81 -17.013 5.839 15.736 1.00 57.05 O ATOM 624 H GLY A 81 -16.973 9.707 14.633 1.00 0.00 H ATOM 625 N ARG A 82 -15.378 7.113 14.832 1.00 51.55 N ATOM 626 CA ARG A 82 -14.273 6.485 15.513 1.00 54.38 C ATOM 627 C ARG A 82 -14.173 7.072 16.930 1.00 51.73 C ATOM 628 O ARG A 82 -14.611 8.168 17.164 1.00 53.11 O ATOM 629 CB ARG A 82 -12.991 6.705 14.700 1.00 57.04 C ATOM 630 CG ARG A 82 -13.044 6.157 13.281 1.00 64.45 C ATOM 631 CD ARG A 82 -11.648 5.837 12.750 1.00 78.51 C ATOM 632 NE ARG A 82 -11.550 5.427 11.343 1.00 83.95 N ATOM 633 CZ ARG A 82 -11.883 4.228 10.847 1.00 82.82 C ATOM 634 NH1 ARG A 82 -11.442 3.864 9.655 1.00 82.11 N ATOM 635 NH2 ARG A 82 -12.677 3.407 11.509 1.00 75.51 N ATOM 636 HE ARG A 82 -11.189 6.133 10.670 1.00 0.00 H ATOM 637 HH12 ARG A 82 -11.699 2.934 9.267 1.00 0.00 H ATOM 638 HH11 ARG A 82 -10.838 4.508 9.105 1.00 0.00 H ATOM 639 HH22 ARG A 82 -12.922 2.481 11.104 1.00 0.00 H ATOM 640 HH21 ARG A 82 -13.058 3.686 12.436 1.00 0.00 H ATOM 641 H ARG A 82 -15.172 7.843 14.121 1.00 0.00 H ATOM 642 N ASP A 83 -13.579 6.331 17.871 1.00 61.31 N ATOM 643 CA ASP A 83 -13.091 6.908 19.152 1.00 61.88 C ATOM 644 C ASP A 83 -11.982 7.932 18.837 1.00 62.10 C ATOM 645 O ASP A 83 -11.395 7.926 17.750 1.00 61.55 O ATOM 646 CB ASP A 83 -12.590 5.823 20.115 1.00 62.47 C ATOM 647 CG ASP A 83 -11.136 5.434 19.898 1.00 68.82 C ATOM 648 OD1 ASP A 83 -10.814 4.927 18.802 1.00 76.79 O ATOM 649 OD2 ASP A 83 -10.331 5.684 20.802 1.00 71.64 O ATOM 650 H ASP A 83 -13.453 5.313 17.701 1.00 0.00 H ATOM 651 N ARG A 84 -11.681 8.797 19.805 1.00 62.01 N ATOM 652 CA ARG A 84 -10.870 9.992 19.557 1.00 66.71 C ATOM 653 C ARG A 84 -9.405 9.613 19.309 1.00 70.45 C ATOM 654 O ARG A 84 -8.710 10.244 18.471 1.00 71.98 O ATOM 655 CB ARG A 84 -10.997 10.986 20.719 1.00 70.11 C ATOM 656 CG ARG A 84 -11.902 12.169 20.419 1.00 67.66 C ATOM 657 CD ARG A 84 -12.647 12.700 21.630 1.00 74.73 C ATOM 658 NE ARG A 84 -13.226 13.987 21.277 1.00 79.85 N ATOM 659 CZ ARG A 84 -13.949 14.742 22.089 1.00 87.42 C ATOM 660 NH1 ARG A 84 -14.142 16.011 21.778 1.00 81.00 N ATOM 661 NH2 ARG A 84 -14.449 14.241 23.208 1.00 83.02 N ATOM 662 HE ARG A 84 -13.059 14.341 20.313 1.00 0.00 H ATOM 663 HH12 ARG A 84 -14.707 16.620 22.404 1.00 0.00 H ATOM 664 HH11 ARG A 84 -13.729 16.402 20.907 1.00 0.00 H ATOM 665 HH22 ARG A 84 -15.016 14.842 23.839 1.00 0.00 H ATOM 666 HH21 ARG A 84 -14.275 13.246 23.456 1.00 0.00 H ATOM 667 H ARG A 84 -12.033 8.618 20.767 1.00 0.00 H ATOM 668 N ILE A 85 -8.939 8.581 20.015 1.00 69.14 N ATOM 669 CA ILE A 85 -7.580 8.083 19.819 1.00 67.32 C ATOM 670 C ILE A 85 -7.398 7.639 18.367 1.00 55.86 C ATOM 671 O ILE A 85 -6.467 8.052 17.722 1.00 53.89 O ATOM 672 CB ILE A 85 -7.262 6.948 20.804 1.00 69.31 C ATOM 673 CG1 ILE A 85 -7.157 7.464 22.241 1.00 67.49 C ATOM 674 CG2 ILE A 85 -5.998 6.237 20.374 1.00 72.80 C ATOM 675 CD1 ILE A 85 -7.905 6.624 23.240 1.00 70.73 C ATOM 676 H ILE A 85 -9.554 8.123 20.717 1.00 0.00 H ATOM 677 N MET A 86 -8.327 6.823 17.863 1.00 61.98 N ATOM 678 CA MET A 86 -8.245 6.316 16.482 1.00 66.88 C ATOM 679 C MET A 86 -8.442 7.445 15.457 1.00 55.37 C ATOM 680 O MET A 86 -7.743 7.514 14.464 1.00 54.68 O ATOM 681 CB MET A 86 -9.256 5.188 16.230 1.00 72.90 C ATOM 682 CG MET A 86 -8.724 3.815 16.665 1.00 76.81 C ATOM 683 SD MET A 86 -7.089 3.357 15.899 1.00 84.99 S ATOM 684 CE MET A 86 -7.414 3.531 14.142 1.00 79.54 C ATOM 685 H MET A 86 -9.129 6.538 18.461 1.00 0.00 H ATOM 686 N ALA A 87 -9.392 8.334 15.717 1.00 55.99 N ATOM 687 CA ALA A 87 -9.662 9.451 14.838 1.00 55.17 C ATOM 688 C ALA A 87 -8.374 10.247 14.627 1.00 51.16 C ATOM 689 O ALA A 87 -7.943 10.477 13.513 1.00 47.32 O ATOM 690 CB ALA A 87 -10.746 10.303 15.438 1.00 58.20 C ATOM 691 H ALA A 87 -9.961 8.224 16.581 1.00 0.00 H ATOM 692 N TRP A 88 -7.743 10.643 15.729 1.00 53.34 N ATOM 693 CA TRP A 88 -6.488 11.324 15.603 1.00 54.30 C ATOM 694 C TRP A 88 -5.459 10.425 14.935 1.00 51.38 C ATOM 695 O TRP A 88 -4.816 10.913 14.038 1.00 56.61 O ATOM 696 CB TRP A 88 -6.004 11.890 16.933 1.00 55.44 C ATOM 697 CG TRP A 88 -6.770 13.135 17.227 1.00 58.54 C ATOM 698 CD1 TRP A 88 -7.743 13.292 18.168 1.00 58.60 C ATOM 699 CD2 TRP A 88 -6.717 14.364 16.472 1.00 58.32 C ATOM 700 NE1 TRP A 88 -8.253 14.559 18.090 1.00 63.87 N ATOM 701 CE2 TRP A 88 -7.657 15.239 17.054 1.00 54.27 C ATOM 702 CE3 TRP A 88 -5.948 14.820 15.388 1.00 60.05 C ATOM 703 CZ2 TRP A 88 -7.843 16.541 16.588 1.00 51.01 C ATOM 704 CZ3 TRP A 88 -6.138 16.107 14.924 1.00 57.35 C ATOM 705 CH2 TRP A 88 -7.065 16.958 15.530 1.00 54.36 C ATOM 706 HE1 TRP A 88 -8.982 14.950 18.720 1.00 0.00 H ATOM 707 H TRP A 88 -8.154 10.461 16.667 1.00 0.00 H ATOM 708 N THR A 89 -5.360 9.144 15.331 1.00 47.53 N ATOM 709 CA THR A 89 -4.369 8.227 14.702 1.00 52.06 C ATOM 710 C THR A 89 -4.526 8.234 13.176 1.00 50.53 C ATOM 711 O THR A 89 -3.544 8.287 12.453 1.00 48.75 O ATOM 712 CB THR A 89 -4.474 6.774 15.188 1.00 56.84 C ATOM 713 OG1 THR A 89 -4.396 6.733 16.617 1.00 54.56 O ATOM 714 CG2 THR A 89 -3.393 5.898 14.583 1.00 49.70 C ATOM 715 HG1 THR A 89 -5.139 7.262 17.002 1.00 0.00 H ATOM 716 H THR A 89 -5.982 8.789 16.085 1.00 0.00 H ATOM 717 N VAL A 90 -5.775 8.202 12.702 1.00 48.57 N ATOM 718 CA VAL A 90 -6.043 8.165 11.276 1.00 51.30 C ATOM 719 C VAL A 90 -5.549 9.467 10.643 1.00 53.57 C ATOM 720 O VAL A 90 -4.821 9.444 9.667 1.00 56.17 O ATOM 721 CB VAL A 90 -7.535 7.924 10.994 1.00 48.91 C ATOM 722 CG1 VAL A 90 -7.865 8.165 9.533 1.00 54.28 C ATOM 723 CG2 VAL A 90 -7.968 6.526 11.407 1.00 50.44 C ATOM 724 H VAL A 90 -6.573 8.204 13.370 1.00 0.00 H ATOM 725 N VAL A 91 -5.950 10.589 11.242 1.00 56.76 N ATOM 726 CA VAL A 91 -5.668 11.933 10.739 1.00 58.41 C ATOM 727 C VAL A 91 -4.154 12.174 10.613 1.00 54.42 C ATOM 728 O VAL A 91 -3.690 12.578 9.562 1.00 59.72 O ATOM 729 CB VAL A 91 -6.330 12.974 11.657 1.00 63.02 C ATOM 730 CG1 VAL A 91 -5.714 14.360 11.478 1.00 65.07 C ATOM 731 CG2 VAL A 91 -7.845 12.994 11.469 1.00 60.20 C ATOM 732 H VAL A 91 -6.498 10.503 12.122 1.00 0.00 H ATOM 733 N ASN A 92 -3.398 11.925 11.684 1.00 53.30 N ATOM 734 CA ASN A 92 -1.962 12.078 11.685 1.00 63.99 C ATOM 735 C ASN A 92 -1.354 11.238 10.562 1.00 71.25 C ATOM 736 O ASN A 92 -0.587 11.742 9.736 1.00 81.34 O ATOM 737 CB ASN A 92 -1.340 11.663 13.016 1.00 73.64 C ATOM 738 CG ASN A 92 -1.781 12.554 14.160 1.00 86.23 C ATOM 739 OD1 ASN A 92 -2.805 13.230 14.085 1.00 93.52 O ATOM 740 ND2 ASN A 92 -1.011 12.572 15.231 1.00 91.81 N ATOM 741 HD22 ASN A 92 -0.151 11.988 15.263 1.00 0.00 H ATOM 742 HD21 ASN A 92 -1.264 13.170 16.043 1.00 0.00 H ATOM 743 H ASN A 92 -3.864 11.606 12.557 1.00 0.00 H ATOM 744 N SER A 93 -1.709 9.952 10.549 1.00 63.85 N ATOM 745 CA SER A 93 -1.200 9.021 9.579 1.00 57.18 C ATOM 746 C SER A 93 -1.452 9.550 8.156 1.00 63.87 C ATOM 747 O SER A 93 -0.612 9.364 7.257 1.00 65.60 O ATOM 748 CB SER A 93 -1.786 7.654 9.805 1.00 55.37 C ATOM 749 OG SER A 93 -2.064 7.012 8.573 1.00 58.57 O ATOM 750 HG SER A 93 -2.448 6.116 8.748 1.00 0.00 H ATOM 751 H SER A 93 -2.379 9.610 11.267 1.00 0.00 H ATOM 752 N ILE A 94 -2.592 10.217 7.943 1.00 57.88 N ATOM 753 CA ILE A 94 -2.890 10.802 6.634 1.00 64.25 C ATOM 754 C ILE A 94 -1.949 11.998 6.361 1.00 66.86 C ATOM 755 O ILE A 94 -1.401 12.143 5.247 1.00 66.84 O ATOM 756 CB ILE A 94 -4.388 11.174 6.511 1.00 59.26 C ATOM 757 CG1 ILE A 94 -5.249 9.942 6.231 1.00 56.95 C ATOM 758 CG2 ILE A 94 -4.625 12.231 5.444 1.00 58.86 C ATOM 759 CD1 ILE A 94 -6.711 10.156 6.550 1.00 56.34 C ATOM 760 H ILE A 94 -3.277 10.322 8.719 1.00 0.00 H ATOM 761 N CYS A 95 -1.780 12.870 7.361 1.00 66.16 N ATOM 762 CA CYS A 95 -0.916 14.066 7.254 1.00 69.00 C ATOM 763 C CYS A 95 0.534 13.664 6.900 1.00 68.45 C ATOM 764 O CYS A 95 1.106 14.165 5.925 1.00 65.90 O ATOM 765 CB CYS A 95 -0.995 14.890 8.539 1.00 70.98 C ATOM 766 SG CYS A 95 -2.615 15.678 8.789 1.00 73.07 S ATOM 767 H CYS A 95 -2.280 12.699 8.257 1.00 0.00 H ATOM 768 N ASN A 96 1.097 12.701 7.638 1.00 67.12 N ATOM 769 CA ASN A 96 2.494 12.282 7.496 1.00 67.54 C ATOM 770 C ASN A 96 2.804 11.702 6.113 1.00 65.58 C ATOM 771 O ASN A 96 3.965 11.684 5.721 1.00 78.38 O ATOM 772 CB ASN A 96 2.873 11.261 8.563 1.00 67.02 C ATOM 773 CG ASN A 96 2.657 11.829 9.940 1.00 66.54 C ATOM 774 OD1 ASN A 96 2.967 12.993 10.163 1.00 70.99 O ATOM 775 ND2 ASN A 96 2.074 11.050 10.839 1.00 75.29 N ATOM 776 HD22 ASN A 96 1.832 10.068 10.597 1.00 0.00 H ATOM 777 HD21 ASN A 96 1.859 11.420 11.787 1.00 0.00 H ATOM 778 H ASN A 96 0.511 12.223 8.352 1.00 0.00 H ATOM 779 N THR A 97 1.802 11.225 5.378 1.00 65.75 N ATOM 780 CA THR A 97 2.092 10.541 4.130 1.00 73.72 C ATOM 781 C THR A 97 1.509 11.265 2.909 1.00 77.59 C ATOM 782 O THR A 97 1.659 10.776 1.803 1.00 92.30 O ATOM 783 CB THR A 97 1.606 9.093 4.211 1.00 77.51 C ATOM 784 OG1 THR A 97 0.193 9.089 3.996 1.00 71.89 O ATOM 785 CG2 THR A 97 1.971 8.446 5.532 1.00 83.20 C ATOM 786 HG1 THR A 97 -0.005 9.467 3.103 1.00 0.00 H ATOM 787 H THR A 97 0.818 11.341 5.695 1.00 0.00 H ATOM 788 N THR A 98 0.836 12.403 3.111 1.00 86.62 N ATOM 789 CA THR A 98 0.372 13.286 2.001 1.00 83.58 C ATOM 790 C THR A 98 0.915 14.721 2.144 1.00 82.13 C ATOM 791 O THR A 98 0.964 15.475 1.158 1.00 77.60 O ATOM 792 CB THR A 98 -1.153 13.340 1.955 1.00 73.73 C ATOM 793 OG1 THR A 98 -1.526 13.835 3.239 1.00 69.67 O ATOM 794 CG2 THR A 98 -1.779 11.993 1.678 1.00 76.23 C ATOM 795 HG1 THR A 98 -1.197 13.216 3.938 1.00 0.00 H ATOM 796 H THR A 98 0.626 12.686 4.089 1.00 0.00 H ATOM 797 N GLY A 99 1.288 15.102 3.373 1.00 68.78 N ATOM 798 CA GLY A 99 1.916 16.374 3.655 1.00 76.82 C ATOM 799 C GLY A 99 0.906 17.440 4.048 1.00 81.35 C ATOM 800 O GLY A 99 1.317 18.554 4.380 1.00 87.49 O ATOM 801 H GLY A 99 1.117 14.450 4.165 1.00 0.00 H ATOM 802 N VAL A 100 -0.392 17.084 4.040 1.00 77.30 N ATOM 803 CA VAL A 100 -1.502 18.020 4.227 1.00 72.85 C ATOM 804 C VAL A 100 -1.503 18.502 5.686 1.00 71.48 C ATOM 805 O VAL A 100 -1.300 17.730 6.610 1.00 68.52 O ATOM 806 CB VAL A 100 -2.870 17.423 3.832 1.00 75.62 C ATOM 807 CG1 VAL A 100 -2.873 16.784 2.448 1.00 78.57 C ATOM 808 CG2 VAL A 100 -3.378 16.436 4.858 1.00 86.07 C ATOM 809 H VAL A 100 -0.621 16.080 3.892 1.00 0.00 H ATOM 810 N GLU A 101 -1.734 19.805 5.858 1.00 71.09 N ATOM 811 CA GLU A 101 -1.742 20.475 7.143 1.00 73.36 C ATOM 812 C GLU A 101 -2.757 19.776 8.058 1.00 66.59 C ATOM 813 O GLU A 101 -3.821 19.310 7.644 1.00 63.72 O ATOM 814 CB GLU A 101 -2.026 21.960 6.897 1.00 81.69 C ATOM 815 CG GLU A 101 -1.899 22.873 8.106 1.00 88.82 C ATOM 816 CD GLU A 101 -2.255 24.318 7.772 1.00 88.53 C ATOM 817 OE1 GLU A 101 -3.335 24.791 8.203 1.00 76.71 O ATOM 818 OE2 GLU A 101 -1.469 24.958 7.041 1.00 90.49 O ATOM 819 H GLU A 101 -1.921 20.379 5.011 1.00 0.00 H ATOM 820 N LYS A 102 -2.380 19.697 9.326 1.00 68.92 N ATOM 821 CA LYS A 102 -3.103 18.984 10.354 1.00 71.78 C ATOM 822 C LYS A 102 -4.278 19.845 10.820 1.00 74.28 C ATOM 823 O LYS A 102 -4.081 20.976 11.243 1.00 84.47 O ATOM 824 CB LYS A 102 -2.093 18.726 11.474 1.00 74.28 C ATOM 825 CG LYS A 102 -2.340 17.518 12.351 1.00 87.58 C ATOM 826 CD LYS A 102 -1.062 17.025 12.982 1.00 98.36 C ATOM 827 CE LYS A 102 -1.289 16.353 14.317 1.00113.17 C ATOM 828 NZ LYS A 102 -0.060 15.666 14.774 1.00118.31 N ATOM 829 HZ1 LYS A 102 0.212 14.944 14.076 1.00 0.00 H ATOM 830 HZ2 LYS A 102 0.707 16.361 14.873 1.00 0.00 H ATOM 831 HZ3 LYS A 102 -0.239 15.212 15.692 1.00 0.00 H ATOM 832 H LYS A 102 -1.502 20.182 9.600 1.00 0.00 H ATOM 833 N PRO A 103 -5.543 19.384 10.776 1.00 74.90 N ATOM 834 CA PRO A 103 -6.661 20.221 11.216 1.00 75.22 C ATOM 835 C PRO A 103 -6.718 20.413 12.741 1.00 70.28 C ATOM 836 O PRO A 103 -6.173 19.599 13.500 1.00 64.10 O ATOM 837 CB PRO A 103 -7.882 19.426 10.730 1.00 74.22 C ATOM 838 CG PRO A 103 -7.423 17.995 10.827 1.00 73.23 C ATOM 839 CD PRO A 103 -5.981 18.048 10.349 1.00 78.90 C ATOM 840 N LYS A 104 -7.407 21.476 13.166 1.00 66.23 N ATOM 841 CA LYS A 104 -7.517 21.854 14.583 1.00 75.35 C ATOM 842 C LYS A 104 -8.559 20.941 15.240 1.00 66.61 C ATOM 843 O LYS A 104 -8.327 20.385 16.290 1.00 65.99 O ATOM 844 CB LYS A 104 -7.917 23.329 14.765 1.00 91.12 C ATOM 845 CG LYS A 104 -7.356 24.348 13.760 1.00107.69 C ATOM 846 CD LYS A 104 -8.169 25.662 13.641 1.00105.31 C ATOM 847 CE LYS A 104 -7.747 26.578 12.503 1.00102.43 C ATOM 848 NZ LYS A 104 -6.279 26.810 12.471 1.00 97.01 N ATOM 849 HZ1 LYS A 104 -5.979 27.250 13.364 1.00 0.00 H ATOM 850 HZ2 LYS A 104 -5.788 25.901 12.349 1.00 0.00 H ATOM 851 HZ3 LYS A 104 -6.046 27.440 11.677 1.00 0.00 H ATOM 852 H LYS A 104 -7.890 22.066 12.459 1.00 0.00 H ATOM 853 N PHE A 105 -9.715 20.812 14.590 1.00 68.25 N ATOM 854 CA PHE A 105 -10.783 19.913 15.005 1.00 72.90 C ATOM 855 C PHE A 105 -10.813 18.686 14.081 1.00 62.74 C ATOM 856 O PHE A 105 -10.452 18.745 12.915 1.00 64.99 O ATOM 857 CB PHE A 105 -12.138 20.626 14.959 1.00 86.50 C ATOM 858 CG PHE A 105 -12.241 21.904 15.756 1.00 97.08 C ATOM 859 CD1 PHE A 105 -11.714 23.093 15.269 1.00109.60 C ATOM 860 CD2 PHE A 105 -12.901 21.928 16.976 1.00105.46 C ATOM 861 CE1 PHE A 105 -11.816 24.269 15.997 1.00105.46 C ATOM 862 CE2 PHE A 105 -13.015 23.107 17.698 1.00107.80 C ATOM 863 CZ PHE A 105 -12.473 24.273 17.207 1.00107.75 C ATOM 864 H PHE A 105 -9.863 21.387 13.736 1.00 0.00 H ATOM 865 N LEU A 106 -11.261 17.560 14.623 1.00 56.63 N ATOM 866 CA LEU A 106 -11.442 16.370 13.852 1.00 49.39 C ATOM 867 C LEU A 106 -12.505 16.620 12.785 1.00 48.85 C ATOM 868 O LEU A 106 -13.630 16.993 13.099 1.00 51.69 O ATOM 869 CB LEU A 106 -11.868 15.242 14.789 1.00 47.58 C ATOM 870 CG LEU A 106 -10.748 14.666 15.650 1.00 52.86 C ATOM 871 CD1 LEU A 106 -11.324 13.697 16.651 1.00 54.83 C ATOM 872 CD2 LEU A 106 -9.662 13.971 14.824 1.00 54.14 C ATOM 873 H LEU A 106 -11.487 17.543 15.638 1.00 0.00 H ATOM 874 N PRO A 107 -12.193 16.442 11.488 1.00 44.46 N ATOM 875 CA PRO A 107 -13.185 16.561 10.433 1.00 43.52 C ATOM 876 C PRO A 107 -13.913 15.225 10.357 1.00 45.57 C ATOM 877 O PRO A 107 -13.688 14.389 11.226 1.00 46.64 O ATOM 878 CB PRO A 107 -12.376 16.831 9.153 1.00 49.93 C ATOM 879 CG PRO A 107 -10.911 16.862 9.581 1.00 48.84 C ATOM 880 CD PRO A 107 -10.855 16.187 10.941 1.00 48.69 C ATOM 881 N ASP A 108 -14.711 15.041 9.300 1.00 46.50 N ATOM 882 CA ASP A 108 -15.573 13.867 9.126 1.00 49.03 C ATOM 883 C ASP A 108 -14.952 12.811 8.198 1.00 53.05 C ATOM 884 O ASP A 108 -15.084 11.616 8.470 1.00 49.20 O ATOM 885 CB ASP A 108 -16.919 14.296 8.556 1.00 46.51 C ATOM 886 CG ASP A 108 -17.739 15.058 9.571 1.00 48.14 C ATOM 887 OD1 ASP A 108 -17.766 14.614 10.733 1.00 52.16 O ATOM 888 OD2 ASP A 108 -18.340 16.078 9.195 1.00 46.39 O ATOM 889 H ASP A 108 -14.721 15.771 8.560 1.00 0.00 H ATOM 890 N LEU A 109 -14.370 13.263 7.076 1.00 55.63 N ATOM 891 CA LEU A 109 -13.867 12.397 5.997 1.00 56.59 C ATOM 892 C LEU A 109 -12.550 12.964 5.472 1.00 55.21 C ATOM 893 O LEU A 109 -12.302 14.167 5.559 1.00 56.64 O ATOM 894 CB LEU A 109 -14.875 12.319 4.833 1.00 60.15 C ATOM 895 CG LEU A 109 -16.278 11.780 5.134 1.00 62.01 C ATOM 896 CD1 LEU A 109 -17.210 11.918 3.941 1.00 59.99 C ATOM 897 CD2 LEU A 109 -16.236 10.330 5.562 1.00 65.78 C ATOM 898 H LEU A 109 -14.268 14.292 6.962 1.00 0.00 H ATOM 899 N TYR A 110 -11.726 12.085 4.891 1.00 60.50 N ATOM 900 CA TYR A 110 -10.617 12.501 4.007 1.00 57.98 C ATOM 901 C TYR A 110 -10.941 12.006 2.598 1.00 56.62 C ATOM 902 O TYR A 110 -11.463 10.919 2.423 1.00 58.01 O ATOM 903 CB TYR A 110 -9.261 11.989 4.507 1.00 60.28 C ATOM 904 CG TYR A 110 -8.099 12.431 3.652 1.00 65.25 C ATOM 905 CD1 TYR A 110 -7.568 13.703 3.760 1.00 69.19 C ATOM 906 CD2 TYR A 110 -7.561 11.598 2.688 1.00 65.11 C ATOM 907 CE1 TYR A 110 -6.534 14.133 2.942 1.00 71.43 C ATOM 908 CE2 TYR A 110 -6.526 12.008 1.867 1.00 68.14 C ATOM 909 CZ TYR A 110 -6.003 13.282 1.990 1.00 69.95 C ATOM 910 OH TYR A 110 -4.955 13.675 1.195 1.00 72.90 O ATOM 911 HH TYR A 110 -5.224 13.618 0.244 1.00 0.00 H ATOM 912 H TYR A 110 -11.871 11.071 5.068 1.00 0.00 H ATOM 913 N ASP A 111 -10.682 12.851 1.605 1.00 56.16 N ATOM 914 CA ASP A 111 -10.886 12.524 0.213 1.00 55.63 C ATOM 915 C ASP A 111 -9.497 12.257 -0.372 1.00 61.11 C ATOM 916 O ASP A 111 -8.681 13.177 -0.478 1.00 56.10 O ATOM 917 CB ASP A 111 -11.648 13.651 -0.480 1.00 56.43 C ATOM 918 CG ASP A 111 -12.007 13.358 -1.918 1.00 61.75 C ATOM 919 OD1 ASP A 111 -11.322 12.514 -2.529 1.00 58.84 O ATOM 920 OD2 ASP A 111 -12.965 13.985 -2.415 1.00 65.78 O ATOM 921 H ASP A 111 -10.314 13.794 1.842 1.00 0.00 H ATOM 922 N TYR A 112 -9.224 10.976 -0.663 1.00 63.83 N ATOM 923 CA TYR A 112 -7.967 10.502 -1.257 1.00 61.24 C ATOM 924 C TYR A 112 -7.823 10.954 -2.731 1.00 64.36 C ATOM 925 O TYR A 112 -6.709 11.066 -3.252 1.00 72.81 O ATOM 926 CB TYR A 112 -7.899 8.979 -1.144 1.00 54.32 C ATOM 927 CG TYR A 112 -7.602 8.447 0.233 1.00 46.51 C ATOM 928 CD1 TYR A 112 -6.378 8.679 0.849 1.00 44.45 C ATOM 929 CD2 TYR A 112 -8.515 7.653 0.899 1.00 49.73 C ATOM 930 CE1 TYR A 112 -6.087 8.181 2.104 1.00 40.86 C ATOM 931 CE2 TYR A 112 -8.241 7.141 2.158 1.00 50.75 C ATOM 932 CZ TYR A 112 -7.030 7.418 2.770 1.00 46.30 C ATOM 933 OH TYR A 112 -6.785 6.894 4.012 1.00 48.92 O ATOM 934 HH TYR A 112 -7.469 7.222 4.648 1.00 0.00 H ATOM 935 H TYR A 112 -9.955 10.267 -0.453 1.00 0.00 H ATOM 936 N LYS A 113 -8.938 11.202 -3.420 1.00 59.47 N ATOM 937 CA LYS A 113 -8.878 11.640 -4.794 1.00 64.51 C ATOM 938 C LYS A 113 -8.501 13.118 -4.877 1.00 69.32 C ATOM 939 O LYS A 113 -7.569 13.457 -5.586 1.00 80.81 O ATOM 940 CB LYS A 113 -10.209 11.459 -5.517 1.00 69.28 C ATOM 941 CG LYS A 113 -10.279 12.201 -6.841 1.00 70.30 C ATOM 942 CD LYS A 113 -11.391 11.720 -7.713 1.00 74.87 C ATOM 943 CE LYS A 113 -11.672 12.680 -8.844 1.00 81.40 C ATOM 944 NZ LYS A 113 -12.653 12.101 -9.789 1.00 84.92 N ATOM 945 HZ1 LYS A 113 -12.272 11.217 -10.184 1.00 0.00 H ATOM 946 HZ2 LYS A 113 -13.542 11.903 -9.286 1.00 0.00 H ATOM 947 HZ3 LYS A 113 -12.832 12.777 -10.559 1.00 0.00 H ATOM 948 H LYS A 113 -9.863 11.078 -2.961 1.00 0.00 H ATOM 949 N GLU A 114 -9.272 13.978 -4.194 1.00 73.32 N ATOM 950 CA GLU A 114 -9.029 15.441 -4.127 1.00 69.03 C ATOM 951 C GLU A 114 -8.012 15.762 -3.022 1.00 64.81 C ATOM 952 O GLU A 114 -7.583 16.895 -2.856 1.00 60.62 O ATOM 953 CB GLU A 114 -10.331 16.197 -3.864 1.00 73.62 C ATOM 954 CG GLU A 114 -11.412 15.953 -4.898 1.00 80.71 C ATOM 955 CD GLU A 114 -11.040 16.403 -6.297 1.00 91.58 C ATOM 956 OE1 GLU A 114 -10.423 17.483 -6.422 1.00 95.33 O ATOM 957 OE2 GLU A 114 -11.344 15.657 -7.257 1.00101.98 O ATOM 958 H GLU A 114 -10.091 13.596 -3.679 1.00 0.00 H ATOM 959 N ASN A 115 -7.650 14.749 -2.241 1.00 69.94 N ATOM 960 CA ASN A 115 -6.558 14.851 -1.290 1.00 74.45 C ATOM 961 C ASN A 115 -6.804 16.020 -0.318 1.00 64.62 C ATOM 962 O ASN A 115 -5.886 16.761 -0.008 1.00 64.72 O ATOM 963 CB ASN A 115 -5.223 14.899 -2.037 1.00 71.78 C ATOM 964 CG ASN A 115 -4.828 13.528 -2.551 1.00 79.38 C ATOM 965 OD1 ASN A 115 -4.290 12.711 -1.792 1.00 77.01 O ATOM 966 ND2 ASN A 115 -5.098 13.267 -3.827 1.00 66.09 N ATOM 967 HD22 ASN A 115 -5.552 13.990 -4.421 1.00 0.00 H ATOM 968 HD21 ASN A 115 -4.856 12.340 -4.231 1.00 0.00 H ATOM 969 H ASN A 115 -8.168 13.850 -2.314 1.00 0.00 H ATOM 970 N ARG A 116 -8.032 16.108 0.214 1.00 63.73 N ATOM 971 CA ARG A 116 -8.449 17.117 1.233 1.00 58.92 C ATOM 972 C ARG A 116 -9.389 16.489 2.269 1.00 55.87 C ATOM 973 O ARG A 116 -10.107 15.545 1.972 1.00 55.73 O ATOM 974 CB ARG A 116 -9.182 18.292 0.574 1.00 54.17 C ATOM 975 CG ARG A 116 -10.504 17.930 -0.089 1.00 50.21 C ATOM 976 CD ARG A 116 -10.780 18.861 -1.248 1.00 47.33 C ATOM 977 NE ARG A 116 -12.085 18.654 -1.855 1.00 50.67 N ATOM 978 CZ ARG A 116 -12.475 19.187 -3.020 1.00 52.27 C ATOM 979 NH1 ARG A 116 -11.641 19.942 -3.711 1.00 56.64 N ATOM 980 NH2 ARG A 116 -13.685 18.962 -3.506 1.00 50.42 N ATOM 981 HE ARG A 116 -12.763 18.050 -1.349 1.00 0.00 H ATOM 982 HH12 ARG A 116 -11.943 20.356 -4.616 1.00 0.00 H ATOM 983 HH11 ARG A 116 -10.682 20.122 -3.350 1.00 0.00 H ATOM 984 HH22 ARG A 116 -13.968 19.385 -4.413 1.00 0.00 H ATOM 985 HH21 ARG A 116 -14.353 18.362 -2.981 1.00 0.00 H ATOM 986 H ARG A 116 -8.746 15.423 -0.107 1.00 0.00 H ATOM 987 N PHE A 117 -9.397 17.060 3.478 1.00 58.26 N ATOM 988 CA PHE A 117 -10.369 16.733 4.512 1.00 50.69 C ATOM 989 C PHE A 117 -11.729 17.345 4.151 1.00 57.73 C ATOM 990 O PHE A 117 -11.808 18.352 3.429 1.00 54.97 O ATOM 991 CB PHE A 117 -9.871 17.210 5.874 1.00 52.92 C ATOM 992 CG PHE A 117 -8.657 16.466 6.374 1.00 54.35 C ATOM 993 CD1 PHE A 117 -8.787 15.240 7.004 1.00 52.63 C ATOM 994 CD2 PHE A 117 -7.384 16.955 6.153 1.00 52.87 C ATOM 995 CE1 PHE A 117 -7.675 14.539 7.437 1.00 54.36 C ATOM 996 CE2 PHE A 117 -6.274 16.252 6.590 1.00 59.99 C ATOM 997 CZ PHE A 117 -6.420 15.044 7.227 1.00 60.53 C ATOM 998 H PHE A 117 -8.672 17.774 3.691 1.00 0.00 H ATOM 999 N ILE A 118 -12.800 16.707 4.643 1.00 53.80 N ATOM 1000 CA ILE A 118 -14.159 17.170 4.436 1.00 53.83 C ATOM 1001 C ILE A 118 -14.853 17.289 5.788 1.00 51.78 C ATOM 1002 O ILE A 118 -14.742 16.353 6.620 1.00 44.94 O ATOM 1003 CB ILE A 118 -14.956 16.213 3.533 1.00 57.64 C ATOM 1004 CG1 ILE A 118 -14.327 16.104 2.143 1.00 64.84 C ATOM 1005 CG2 ILE A 118 -16.422 16.620 3.481 1.00 46.97 C ATOM 1006 CD1 ILE A 118 -14.898 14.984 1.306 1.00 72.14 C ATOM 1007 H ILE A 118 -12.650 15.841 5.198 1.00 0.00 H ATOM 1008 N GLU A 119 -15.581 18.411 5.957 1.00 47.80 N ATOM 1009 CA GLU A 119 -16.495 18.595 7.056 1.00 43.69 C ATOM 1010 C GLU A 119 -17.903 18.541 6.484 1.00 43.08 C ATOM 1011 O GLU A 119 -18.265 19.365 5.659 1.00 42.02 O ATOM 1012 CB GLU A 119 -16.294 19.916 7.804 1.00 47.76 C ATOM 1013 CG GLU A 119 -17.277 20.124 8.953 1.00 45.33 C ATOM 1014 CD GLU A 119 -17.205 19.038 10.012 1.00 46.52 C ATOM 1015 OE1 GLU A 119 -16.076 18.699 10.422 1.00 48.52 O ATOM 1016 OE2 GLU A 119 -18.258 18.524 10.409 1.00 42.49 O ATOM 1017 H GLU A 119 -15.478 19.179 5.263 1.00 0.00 H ATOM 1018 N ILE A 120 -18.648 17.538 6.945 1.00 43.42 N ATOM 1019 CA ILE A 120 -20.038 17.346 6.650 1.00 49.35 C ATOM 1020 C ILE A 120 -20.908 18.081 7.689 1.00 49.50 C ATOM 1021 O ILE A 120 -20.852 17.752 8.916 1.00 45.55 O ATOM 1022 CB ILE A 120 -20.391 15.843 6.659 1.00 49.84 C ATOM 1023 CG1 ILE A 120 -19.451 14.998 5.798 1.00 50.88 C ATOM 1024 CG2 ILE A 120 -21.849 15.648 6.265 1.00 46.19 C ATOM 1025 CD1 ILE A 120 -19.484 15.358 4.346 1.00 52.92 C ATOM 1026 H ILE A 120 -18.187 16.842 7.565 1.00 0.00 H ATOM 1027 N GLY A 121 -21.793 18.960 7.186 1.00 43.47 N ATOM 1028 CA GLY A 121 -22.832 19.607 7.984 1.00 43.06 C ATOM 1029 C GLY A 121 -24.231 19.171 7.578 1.00 43.67 C ATOM 1030 O GLY A 121 -24.512 18.994 6.403 1.00 46.48 O ATOM 1031 H GLY A 121 -21.735 19.192 6.174 1.00 0.00 H ATOM 1032 N VAL A 122 -25.118 19.044 8.573 1.00 46.65 N ATOM 1033 CA VAL A 122 -26.544 18.751 8.371 1.00 48.51 C ATOM 1034 C VAL A 122 -27.383 19.685 9.262 1.00 48.17 C ATOM 1035 O VAL A 122 -27.236 19.673 10.489 1.00 42.37 O ATOM 1036 CB VAL A 122 -26.855 17.273 8.668 1.00 49.93 C ATOM 1037 CG1 VAL A 122 -28.345 16.952 8.548 1.00 47.25 C ATOM 1038 CG2 VAL A 122 -26.013 16.355 7.798 1.00 48.61 C ATOM 1039 H VAL A 122 -24.777 19.160 9.549 1.00 0.00 H ATOM 1040 N THR A 123 -28.308 20.418 8.624 1.00 46.18 N ATOM 1041 CA THR A 123 -28.978 21.543 9.217 1.00 49.17 C ATOM 1042 C THR A 123 -30.482 21.505 8.914 1.00 47.87 C ATOM 1043 O THR A 123 -30.927 21.216 7.786 1.00 44.84 O ATOM 1044 CB THR A 123 -28.352 22.874 8.746 1.00 53.69 C ATOM 1045 OG1 THR A 123 -28.883 23.939 9.538 1.00 54.63 O ATOM 1046 CG2 THR A 123 -28.602 23.197 7.284 1.00 53.60 C ATOM 1047 HG1 THR A 123 -28.662 23.782 10.490 1.00 0.00 H ATOM 1048 H THR A 123 -28.554 20.158 7.647 1.00 0.00 H ATOM 1049 N ARG A 124 -31.255 21.931 9.914 1.00 48.33 N ATOM 1050 CA ARG A 124 -32.659 22.182 9.745 1.00 47.05 C ATOM 1051 C ARG A 124 -32.862 23.664 9.391 1.00 46.27 C ATOM 1052 O ARG A 124 -33.961 24.076 9.050 1.00 52.82 O ATOM 1053 CB ARG A 124 -33.505 21.699 10.939 1.00 45.42 C ATOM 1054 CG ARG A 124 -32.783 21.414 12.241 1.00 51.34 C ATOM 1055 CD ARG A 124 -32.602 19.953 12.613 1.00 48.07 C ATOM 1056 NE ARG A 124 -32.528 19.839 14.075 1.00 48.91 N ATOM 1057 CZ ARG A 124 -31.415 19.776 14.797 1.00 46.82 C ATOM 1058 NH1 ARG A 124 -30.239 19.753 14.207 1.00 38.86 N ATOM 1059 NH2 ARG A 124 -31.486 19.679 16.116 1.00 57.97 N ATOM 1060 HE ARG A 124 -33.429 19.804 14.592 1.00 0.00 H ATOM 1061 HH12 ARG A 124 -29.371 19.704 14.778 1.00 0.00 H ATOM 1062 HH11 ARG A 124 -30.177 19.784 13.169 1.00 0.00 H ATOM 1063 HH22 ARG A 124 -30.615 19.630 16.681 1.00 0.00 H ATOM 1064 HH21 ARG A 124 -32.413 19.652 16.586 1.00 0.00 H ATOM 1065 H ARG A 124 -30.826 22.087 10.849 1.00 0.00 H ATOM 1066 N ARG A 125 -31.789 24.453 9.376 1.00 52.48 N ATOM 1067 CA ARG A 125 -31.874 25.886 9.013 1.00 51.59 C ATOM 1068 C ARG A 125 -31.549 26.052 7.527 1.00 56.22 C ATOM 1069 O ARG A 125 -31.679 25.106 6.756 1.00 66.28 O ATOM 1070 CB ARG A 125 -30.933 26.695 9.904 1.00 49.45 C ATOM 1071 CG ARG A 125 -31.437 26.868 11.326 1.00 48.04 C ATOM 1072 CD ARG A 125 -30.386 27.622 12.125 1.00 53.22 C ATOM 1073 NE ARG A 125 -29.227 26.801 12.427 1.00 52.08 N ATOM 1074 CZ ARG A 125 -28.033 27.271 12.755 1.00 55.97 C ATOM 1075 NH1 ARG A 125 -27.832 28.574 12.836 1.00 62.42 N ATOM 1076 NH2 ARG A 125 -27.039 26.433 12.993 1.00 61.70 N ATOM 1077 HE ARG A 125 -29.343 25.768 12.382 1.00 0.00 H ATOM 1078 HH12 ARG A 125 -26.893 28.940 13.094 1.00 0.00 H ATOM 1079 HH11 ARG A 125 -28.612 29.234 12.642 1.00 0.00 H ATOM 1080 HH22 ARG A 125 -26.100 26.799 13.251 1.00 0.00 H ATOM 1081 HH21 ARG A 125 -27.195 25.407 12.923 1.00 0.00 H ATOM 1082 H ARG A 125 -30.863 24.050 9.627 1.00 0.00 H ATOM 1083 N GLU A 126 -31.199 27.277 7.132 1.00 62.33 N ATOM 1084 CA GLU A 126 -30.807 27.604 5.774 1.00 68.18 C ATOM 1085 C GLU A 126 -29.376 27.121 5.544 1.00 62.74 C ATOM 1086 O GLU A 126 -28.491 27.296 6.385 1.00 57.68 O ATOM 1087 CB GLU A 126 -30.896 29.112 5.517 1.00 88.58 C ATOM 1088 CG GLU A 126 -32.309 29.679 5.546 1.00 93.97 C ATOM 1089 CD GLU A 126 -33.091 29.493 4.255 1.00105.12 C ATOM 1090 OE1 GLU A 126 -34.241 29.970 4.197 1.00111.65 O ATOM 1091 OE2 GLU A 126 -32.552 28.875 3.305 1.00117.46 O ATOM 1092 H GLU A 126 -31.208 28.041 7.838 1.00 0.00 H ATOM 1093 N VAL A 127 -29.150 26.530 4.372 1.00 58.45 N ATOM 1094 CA VAL A 127 -27.865 25.957 4.082 1.00 56.71 C ATOM 1095 C VAL A 127 -26.764 27.026 4.190 1.00 53.85 C ATOM 1096 O VAL A 127 -25.766 26.783 4.856 1.00 50.62 O ATOM 1097 CB VAL A 127 -27.876 25.195 2.743 1.00 56.93 C ATOM 1098 CG1 VAL A 127 -28.703 23.929 2.860 1.00 58.31 C ATOM 1099 CG2 VAL A 127 -28.376 26.025 1.581 1.00 60.17 C ATOM 1100 H VAL A 127 -29.909 26.483 3.662 1.00 0.00 H ATOM 1101 N HIS A 128 -26.953 28.208 3.586 1.00 56.36 N ATOM 1102 CA HIS A 128 -25.934 29.285 3.634 1.00 58.69 C ATOM 1103 C HIS A 128 -25.652 29.695 5.084 1.00 52.88 C ATOM 1104 O HIS A 128 -24.506 29.911 5.464 1.00 48.54 O ATOM 1105 CB HIS A 128 -26.326 30.501 2.768 1.00 71.24 C ATOM 1106 CG HIS A 128 -27.475 31.296 3.288 1.00 69.89 C ATOM 1107 ND1 HIS A 128 -28.796 30.932 3.052 1.00 86.29 N ATOM 1108 CD2 HIS A 128 -27.516 32.413 4.036 1.00 65.02 C ATOM 1109 CE1 HIS A 128 -29.602 31.798 3.636 1.00 77.64 C ATOM 1110 NE2 HIS A 128 -28.839 32.703 4.257 1.00 77.12 N ATOM 1111 H HIS A 128 -27.840 28.375 3.069 1.00 0.00 H ATOM 1112 N ILE A 129 -26.703 29.777 5.896 1.00 54.57 N ATOM 1113 CA ILE A 129 -26.552 30.126 7.301 1.00 59.36 C ATOM 1114 C ILE A 129 -25.541 29.171 7.936 1.00 52.61 C ATOM 1115 O ILE A 129 -24.521 29.612 8.457 1.00 58.66 O ATOM 1116 CB ILE A 129 -27.912 30.122 8.036 1.00 65.18 C ATOM 1117 CG1 ILE A 129 -28.729 31.380 7.706 1.00 73.95 C ATOM 1118 CG2 ILE A 129 -27.709 29.943 9.532 1.00 62.19 C ATOM 1119 CD1 ILE A 129 -30.164 31.378 8.222 1.00 83.18 C ATOM 1120 H ILE A 129 -27.653 29.588 5.518 1.00 0.00 H ATOM 1121 N TYR A 130 -25.809 27.864 7.842 1.00 54.17 N ATOM 1122 CA TYR A 130 -24.980 26.851 8.538 1.00 59.77 C ATOM 1123 C TYR A 130 -23.569 26.813 7.929 1.00 54.24 C ATOM 1124 O TYR A 130 -22.577 26.714 8.661 1.00 53.22 O ATOM 1125 CB TYR A 130 -25.673 25.479 8.580 1.00 62.12 C ATOM 1126 CG TYR A 130 -25.072 24.502 9.563 1.00 61.04 C ATOM 1127 CD1 TYR A 130 -24.769 24.875 10.864 1.00 67.95 C ATOM 1128 CD2 TYR A 130 -24.803 23.197 9.198 1.00 66.45 C ATOM 1129 CE1 TYR A 130 -24.231 23.978 11.773 1.00 69.78 C ATOM 1130 CE2 TYR A 130 -24.254 22.288 10.092 1.00 70.81 C ATOM 1131 CZ TYR A 130 -23.961 22.677 11.385 1.00 68.48 C ATOM 1132 OH TYR A 130 -23.409 21.783 12.256 1.00 63.43 O ATOM 1133 HH TYR A 130 -24.021 21.013 12.369 1.00 0.00 H ATOM 1134 H TYR A 130 -26.617 27.551 7.267 1.00 0.00 H ATOM 1135 N TYR A 131 -23.477 26.949 6.603 1.00 49.53 N ATOM 1136 CA TYR A 131 -22.184 27.007 5.951 1.00 54.36 C ATOM 1137 C TYR A 131 -21.281 28.057 6.616 1.00 57.20 C ATOM 1138 O TYR A 131 -20.109 27.791 6.886 1.00 54.35 O ATOM 1139 CB TYR A 131 -22.318 27.275 4.453 1.00 52.39 C ATOM 1140 CG TYR A 131 -20.991 27.285 3.744 1.00 56.57 C ATOM 1141 CD1 TYR A 131 -20.193 28.422 3.751 1.00 62.97 C ATOM 1142 CD2 TYR A 131 -20.506 26.161 3.091 1.00 57.76 C ATOM 1143 CE1 TYR A 131 -18.966 28.460 3.099 1.00 58.56 C ATOM 1144 CE2 TYR A 131 -19.267 26.176 2.455 1.00 63.22 C ATOM 1145 CZ TYR A 131 -18.497 27.331 2.457 1.00 58.96 C ATOM 1146 OH TYR A 131 -17.279 27.377 1.847 1.00 64.47 O ATOM 1147 HH TYR A 131 -16.890 28.280 1.958 1.00 0.00 H ATOM 1148 H TYR A 131 -24.344 27.014 6.032 1.00 0.00 H ATOM 1149 N LEU A 132 -21.816 29.255 6.867 1.00 59.79 N ATOM 1150 CA LEU A 132 -21.004 30.321 7.446 1.00 57.62 C ATOM 1151 C LEU A 132 -20.499 29.903 8.826 1.00 53.60 C ATOM 1152 O LEU A 132 -19.320 30.092 9.114 1.00 54.69 O ATOM 1153 CB LEU A 132 -21.825 31.605 7.556 1.00 59.22 C ATOM 1154 CG LEU A 132 -22.230 32.258 6.240 1.00 54.97 C ATOM 1155 CD1 LEU A 132 -23.253 33.341 6.517 1.00 55.22 C ATOM 1156 CD2 LEU A 132 -21.031 32.814 5.507 1.00 55.28 C ATOM 1157 H LEU A 132 -22.818 29.429 6.648 1.00 0.00 H ATOM 1158 N GLU A 133 -21.396 29.364 9.662 1.00 48.44 N ATOM 1159 CA GLU A 133 -21.035 28.909 11.011 1.00 52.30 C ATOM 1160 C GLU A 133 -19.852 27.932 10.983 1.00 51.57 C ATOM 1161 O GLU A 133 -18.922 28.015 11.826 1.00 55.75 O ATOM 1162 CB GLU A 133 -22.184 28.172 11.686 1.00 58.87 C ATOM 1163 CG GLU A 133 -23.309 29.075 12.130 1.00 64.48 C ATOM 1164 CD GLU A 133 -24.179 28.450 13.202 1.00 71.86 C ATOM 1165 OE1 GLU A 133 -23.791 27.370 13.709 1.00 85.25 O ATOM 1166 OE2 GLU A 133 -25.241 29.039 13.528 1.00 67.57 O ATOM 1167 H GLU A 133 -22.382 29.264 9.345 1.00 0.00 H ATOM 1168 N LYS A 134 -19.896 26.994 10.034 1.00 46.68 N ATOM 1169 CA LYS A 134 -18.826 26.029 9.845 1.00 48.29 C ATOM 1170 C LYS A 134 -17.545 26.718 9.365 1.00 50.17 C ATOM 1171 O LYS A 134 -16.475 26.508 9.930 1.00 50.15 O ATOM 1172 CB LYS A 134 -19.253 24.959 8.838 1.00 52.76 C ATOM 1173 CG LYS A 134 -20.155 23.874 9.413 1.00 54.95 C ATOM 1174 CD LYS A 134 -19.414 22.905 10.261 1.00 57.61 C ATOM 1175 CE LYS A 134 -20.314 21.937 10.994 1.00 64.50 C ATOM 1176 NZ LYS A 134 -19.490 21.059 11.859 1.00 66.34 N ATOM 1177 HZ1 LYS A 134 -18.815 20.530 11.271 1.00 0.00 H ATOM 1178 HZ2 LYS A 134 -18.971 21.641 12.547 1.00 0.00 H ATOM 1179 HZ3 LYS A 134 -20.109 20.393 12.364 1.00 0.00 H ATOM 1180 H LYS A 134 -20.725 26.952 9.408 1.00 0.00 H ATOM 1181 N ALA A 135 -17.656 27.514 8.300 1.00 54.80 N ATOM 1182 CA ALA A 135 -16.481 28.164 7.707 1.00 60.22 C ATOM 1183 C ALA A 135 -15.795 29.010 8.775 1.00 59.10 C ATOM 1184 O ALA A 135 -14.562 29.055 8.841 1.00 65.89 O ATOM 1185 CB ALA A 135 -16.855 28.997 6.500 1.00 58.85 C ATOM 1186 H ALA A 135 -18.594 27.677 7.882 1.00 0.00 H ATOM 1187 N ASN A 136 -16.616 29.629 9.628 1.00 57.15 N ATOM 1188 CA ASN A 136 -16.120 30.532 10.612 1.00 57.51 C ATOM 1189 C ASN A 136 -15.381 29.740 11.683 1.00 51.96 C ATOM 1190 O ASN A 136 -14.272 30.080 12.023 1.00 62.24 O ATOM 1191 CB ASN A 136 -17.209 31.414 11.219 1.00 63.03 C ATOM 1192 CG ASN A 136 -16.601 32.419 12.174 1.00 64.32 C ATOM 1193 OD1 ASN A 136 -16.987 32.485 13.327 1.00 57.16 O ATOM 1194 ND2 ASN A 136 -15.610 33.166 11.715 1.00 65.65 N ATOM 1195 HD22 ASN A 136 -15.310 33.080 10.723 1.00 0.00 H ATOM 1196 HD21 ASN A 136 -15.131 33.840 12.346 1.00 0.00 H ATOM 1197 H ASN A 136 -17.639 29.448 9.573 1.00 0.00 H ATOM 1198 N LYS A 137 -15.973 28.636 12.134 1.00 58.38 N ATOM 1199 CA LYS A 137 -15.376 27.820 13.186 1.00 59.06 C ATOM 1200 C LYS A 137 -14.036 27.223 12.744 1.00 58.16 C ATOM 1201 O LYS A 137 -13.280 26.836 13.615 1.00 59.95 O ATOM 1202 CB LYS A 137 -16.306 26.688 13.626 1.00 63.44 C ATOM 1203 CG LYS A 137 -15.768 25.851 14.779 1.00 67.35 C ATOM 1204 CD LYS A 137 -16.848 25.379 15.737 1.00 86.17 C ATOM 1205 CE LYS A 137 -16.367 24.376 16.772 1.00 95.63 C ATOM 1206 NZ LYS A 137 -17.496 23.803 17.552 1.00100.42 N ATOM 1207 HZ1 LYS A 137 -17.998 24.568 18.046 1.00 0.00 H ATOM 1208 HZ2 LYS A 137 -18.151 23.318 16.906 1.00 0.00 H ATOM 1209 HZ3 LYS A 137 -17.126 23.124 18.247 1.00 0.00 H ATOM 1210 H LYS A 137 -16.885 28.348 11.726 1.00 0.00 H ATOM 1211 N ILE A 138 -13.748 27.142 11.431 1.00 60.04 N ATOM 1212 CA ILE A 138 -12.456 26.584 10.939 1.00 67.45 C ATOM 1213 C ILE A 138 -11.848 27.493 9.854 1.00 69.52 C ATOM 1214 O ILE A 138 -10.669 27.380 9.521 1.00 65.26 O ATOM 1215 CB ILE A 138 -12.683 25.137 10.448 1.00 74.03 C ATOM 1216 CG1 ILE A 138 -13.347 25.086 9.067 1.00 78.30 C ATOM 1217 CG2 ILE A 138 -13.466 24.325 11.485 1.00 69.01 C ATOM 1218 CD1 ILE A 138 -14.178 23.841 8.804 1.00 72.20 C ATOM 1219 H ILE A 138 -14.448 27.479 10.739 1.00 0.00 H TER 1220 ILE A 138 ATOM 1221 N GLU A 141 -8.433 26.379 8.660 1.00 85.46 N ATOM 1222 CA GLU A 141 -8.018 25.139 7.967 1.00 93.01 C ATOM 1223 C GLU A 141 -8.384 25.244 6.484 1.00 81.22 C ATOM 1224 O GLU A 141 -9.225 26.063 6.154 1.00 74.48 O ATOM 1225 CB GLU A 141 -8.741 23.914 8.537 1.00105.52 C ATOM 1226 CG GLU A 141 -8.760 23.808 10.060 1.00112.12 C ATOM 1227 CD GLU A 141 -9.567 22.637 10.624 1.00117.51 C ATOM 1228 OE1 GLU A 141 -9.762 22.588 11.871 1.00104.76 O ATOM 1229 OE2 GLU A 141 -10.010 21.766 9.824 1.00115.10 O ATOM 1230 HN3 GLU A 141 -9.461 26.502 8.562 1.00 0.00 H ATOM 1231 HN2 GLU A 141 -7.943 27.192 8.236 1.00 0.00 H ATOM 1232 HN1 GLU A 141 -8.186 26.311 9.668 1.00 0.00 H ATOM 1233 N LYS A 142 -7.811 24.384 5.617 1.00 79.85 N ATOM 1234 CA LYS A 142 -8.314 24.261 4.206 1.00 78.38 C ATOM 1235 C LYS A 142 -9.116 22.963 4.019 1.00 74.63 C ATOM 1236 O LYS A 142 -8.963 22.235 3.034 1.00 71.94 O ATOM 1237 CB LYS A 142 -7.215 24.456 3.157 1.00 82.07 C ATOM 1238 CG LYS A 142 -7.259 25.818 2.452 1.00 90.82 C ATOM 1239 CD LYS A 142 -8.633 26.238 1.874 1.00 89.21 C ATOM 1240 CE LYS A 142 -9.585 26.934 2.837 1.00 87.82 C ATOM 1241 NZ LYS A 142 -8.984 28.130 3.480 1.00 85.52 N ATOM 1242 HZ1 LYS A 142 -8.140 27.846 4.018 1.00 0.00 H ATOM 1243 HZ2 LYS A 142 -8.715 28.817 2.747 1.00 0.00 H ATOM 1244 HZ3 LYS A 142 -9.678 28.561 4.124 1.00 0.00 H ATOM 1245 H LYS A 142 -7.010 23.798 5.929 1.00 0.00 H ATOM 1246 N THR A 143 -10.051 22.760 4.951 1.00 64.87 N ATOM 1247 CA THR A 143 -11.001 21.697 4.947 1.00 62.19 C ATOM 1248 C THR A 143 -12.171 22.056 4.021 1.00 62.85 C ATOM 1249 O THR A 143 -12.672 23.168 4.024 1.00 66.15 O ATOM 1250 CB THR A 143 -11.423 21.429 6.394 1.00 63.07 C ATOM 1251 OG1 THR A 143 -10.216 21.102 7.081 1.00 72.14 O ATOM 1252 CG2 THR A 143 -12.442 20.324 6.553 1.00 63.12 C ATOM 1253 HG1 THR A 143 -10.419 20.915 8.032 1.00 0.00 H ATOM 1254 H THR A 143 -10.089 23.432 5.744 1.00 0.00 H ATOM 1255 N HIS A 144 -12.612 21.080 3.229 1.00 58.94 N ATOM 1256 CA HIS A 144 -13.739 21.256 2.363 1.00 53.45 C ATOM 1257 C HIS A 144 -15.020 21.064 3.186 1.00 54.41 C ATOM 1258 O HIS A 144 -15.066 20.215 4.101 1.00 52.02 O ATOM 1259 CB HIS A 144 -13.619 20.290 1.180 1.00 56.06 C ATOM 1260 CG HIS A 144 -14.356 20.700 -0.048 1.00 52.53 C ATOM 1261 ND1 HIS A 144 -13.731 21.340 -1.092 1.00 55.42 N ATOM 1262 CD2 HIS A 144 -15.644 20.528 -0.418 1.00 53.87 C ATOM 1263 CE1 HIS A 144 -14.618 21.592 -2.040 1.00 62.53 C ATOM 1264 NE2 HIS A 144 -15.809 21.110 -1.646 1.00 55.10 N ATOM 1265 H HIS A 144 -12.123 20.162 3.240 1.00 0.00 H ATOM 1266 N ILE A 145 -16.060 21.831 2.827 1.00 47.27 N ATOM 1267 CA ILE A 145 -17.308 21.874 3.559 1.00 42.79 C ATOM 1268 C ILE A 145 -18.459 21.510 2.626 1.00 43.39 C ATOM 1269 O ILE A 145 -18.552 22.009 1.532 1.00 39.74 O ATOM 1270 CB ILE A 145 -17.565 23.229 4.223 1.00 43.68 C ATOM 1271 CG1 ILE A 145 -16.457 23.577 5.226 1.00 52.47 C ATOM 1272 CG2 ILE A 145 -18.928 23.218 4.875 1.00 43.74 C ATOM 1273 CD1 ILE A 145 -16.605 24.942 5.906 1.00 49.88 C ATOM 1274 H ILE A 145 -15.965 22.425 1.979 1.00 0.00 H ATOM 1275 N HIS A 146 -19.347 20.649 3.136 1.00 42.39 N ATOM 1276 CA HIS A 146 -20.489 20.203 2.460 1.00 41.29 C ATOM 1277 C HIS A 146 -21.624 20.166 3.482 1.00 43.79 C ATOM 1278 O HIS A 146 -21.540 19.522 4.534 1.00 44.05 O ATOM 1279 CB HIS A 146 -20.200 18.843 1.798 1.00 45.28 C ATOM 1280 CG HIS A 146 -21.116 18.520 0.662 1.00 44.81 C ATOM 1281 ND1 HIS A 146 -20.696 17.800 -0.447 1.00 44.32 N ATOM 1282 CD2 HIS A 146 -22.414 18.843 0.449 1.00 41.56 C ATOM 1283 CE1 HIS A 146 -21.711 17.671 -1.282 1.00 45.43 C ATOM 1284 NE2 HIS A 146 -22.789 18.292 -0.747 1.00 42.03 N ATOM 1285 H HIS A 146 -19.178 20.288 4.096 1.00 0.00 H ATOM 1286 N ILE A 147 -22.694 20.872 3.147 1.00 43.44 N ATOM 1287 CA ILE A 147 -23.798 21.091 4.016 1.00 42.62 C ATOM 1288 C ILE A 147 -25.027 20.490 3.338 1.00 48.85 C ATOM 1289 O ILE A 147 -25.319 20.824 2.144 1.00 42.10 O ATOM 1290 CB ILE A 147 -23.996 22.597 4.245 1.00 44.20 C ATOM 1291 CG1 ILE A 147 -22.718 23.272 4.750 1.00 42.48 C ATOM 1292 CG2 ILE A 147 -25.191 22.856 5.146 1.00 45.31 C ATOM 1293 CD1 ILE A 147 -22.260 22.804 6.096 1.00 44.82 C ATOM 1294 H ILE A 147 -22.728 21.289 2.195 1.00 0.00 H ATOM 1295 N PHE A 148 -25.746 19.647 4.098 1.00 42.64 N ATOM 1296 CA PHE A 148 -27.024 19.132 3.662 1.00 44.51 C ATOM 1297 C PHE A 148 -28.114 19.663 4.591 1.00 41.71 C ATOM 1298 O PHE A 148 -27.867 19.926 5.760 1.00 48.25 O ATOM 1299 CB PHE A 148 -27.038 17.603 3.592 1.00 42.23 C ATOM 1300 CG PHE A 148 -26.005 17.007 2.663 1.00 46.21 C ATOM 1301 CD1 PHE A 148 -26.313 16.715 1.344 1.00 47.26 C ATOM 1302 CD2 PHE A 148 -24.749 16.663 3.129 1.00 43.21 C ATOM 1303 CE1 PHE A 148 -25.383 16.118 0.514 1.00 44.49 C ATOM 1304 CE2 PHE A 148 -23.819 16.088 2.291 1.00 43.21 C ATOM 1305 CZ PHE A 148 -24.136 15.820 0.991 1.00 45.31 C ATOM 1306 H PHE A 148 -25.373 19.357 5.025 1.00 0.00 H ATOM 1307 N SER A 149 -29.304 19.849 4.023 1.00 38.30 N ATOM 1308 CA SER A 149 -30.457 20.287 4.747 1.00 42.29 C ATOM 1309 C SER A 149 -31.495 19.181 4.611 1.00 41.50 C ATOM 1310 O SER A 149 -31.260 18.275 3.895 1.00 42.03 O ATOM 1311 CB SER A 149 -30.958 21.593 4.214 1.00 40.53 C ATOM 1312 OG SER A 149 -31.727 21.353 3.055 1.00 38.74 O ATOM 1313 HG SER A 149 -32.061 22.214 2.698 1.00 0.00 H ATOM 1314 H SER A 149 -29.400 19.667 3.004 1.00 0.00 H ATOM 1315 N PHE A 150 -32.628 19.284 5.303 1.00 48.98 N ATOM 1316 CA PHE A 150 -33.686 18.291 5.147 1.00 49.38 C ATOM 1317 C PHE A 150 -34.646 18.738 4.040 1.00 49.06 C ATOM 1318 O PHE A 150 -35.779 18.300 4.018 1.00 51.75 O ATOM 1319 CB PHE A 150 -34.416 18.067 6.474 1.00 48.90 C ATOM 1320 CG PHE A 150 -33.532 17.580 7.593 1.00 44.44 C ATOM 1321 CD1 PHE A 150 -32.580 18.417 8.156 1.00 38.71 C ATOM 1322 CD2 PHE A 150 -33.641 16.272 8.060 1.00 39.45 C ATOM 1323 CE1 PHE A 150 -31.772 17.965 9.186 1.00 41.97 C ATOM 1324 CE2 PHE A 150 -32.813 15.809 9.066 1.00 37.42 C ATOM 1325 CZ PHE A 150 -31.881 16.656 9.629 1.00 45.90 C ATOM 1326 H PHE A 150 -32.760 20.079 5.960 1.00 0.00 H ATOM 1327 N THR A 151 -34.191 19.614 3.137 1.00 50.49 N ATOM 1328 CA THR A 151 -35.087 20.187 2.110 1.00 55.90 C ATOM 1329 C THR A 151 -34.599 19.825 0.705 1.00 55.01 C ATOM 1330 O THR A 151 -35.216 20.236 -0.259 1.00 57.06 O ATOM 1331 CB THR A 151 -35.240 21.725 2.187 1.00 50.04 C ATOM 1332 OG1 THR A 151 -33.981 22.367 2.001 1.00 49.52 O ATOM 1333 CG2 THR A 151 -35.859 22.222 3.473 1.00 47.92 C ATOM 1334 HG1 THR A 151 -33.354 22.072 2.708 1.00 0.00 H ATOM 1335 H THR A 151 -33.190 19.897 3.158 1.00 0.00 H ATOM 1336 N GLY A 152 -33.495 19.083 0.592 1.00 57.86 N ATOM 1337 CA GLY A 152 -32.925 18.757 -0.712 1.00 58.74 C ATOM 1338 C GLY A 152 -31.920 19.796 -1.186 1.00 57.42 C ATOM 1339 O GLY A 152 -31.460 19.756 -2.336 1.00 56.57 O ATOM 1340 H GLY A 152 -33.030 18.729 1.452 1.00 0.00 H ATOM 1341 N GLU A 153 -31.555 20.712 -0.289 1.00 59.23 N ATOM 1342 CA GLU A 153 -30.599 21.764 -0.594 1.00 61.63 C ATOM 1343 C GLU A 153 -29.249 21.419 0.041 1.00 61.79 C ATOM 1344 O GLU A 153 -29.168 20.726 1.076 1.00 59.15 O ATOM 1345 CB GLU A 153 -31.118 23.114 -0.114 1.00 66.28 C ATOM 1346 CG GLU A 153 -32.057 23.779 -1.094 1.00 74.44 C ATOM 1347 CD GLU A 153 -32.664 25.037 -0.508 1.00 89.57 C ATOM 1348 OE1 GLU A 153 -33.322 24.912 0.547 1.00 89.77 O ATOM 1349 OE2 GLU A 153 -32.433 26.142 -1.072 1.00105.59 O ATOM 1350 H GLU A 153 -31.969 20.673 0.664 1.00 0.00 H ATOM 1351 N GLU A 154 -28.186 21.895 -0.610 1.00 55.37 N ATOM 1352 CA GLU A 154 -26.851 21.592 -0.201 1.00 57.39 C ATOM 1353 C GLU A 154 -25.967 22.795 -0.555 1.00 56.70 C ATOM 1354 O GLU A 154 -26.347 23.631 -1.352 1.00 53.18 O ATOM 1355 CB GLU A 154 -26.390 20.259 -0.812 1.00 58.44 C ATOM 1356 CG GLU A 154 -26.442 20.182 -2.335 1.00 56.62 C ATOM 1357 CD GLU A 154 -25.768 18.971 -2.987 1.00 57.93 C ATOM 1358 OE1 GLU A 154 -24.959 18.262 -2.318 1.00 59.75 O ATOM 1359 OE2 GLU A 154 -26.049 18.724 -4.170 1.00 49.77 O ATOM 1360 H GLU A 154 -28.334 22.505 -1.440 1.00 0.00 H ATOM 1361 N MET A 155 -24.831 22.915 0.135 1.00 52.74 N ATOM 1362 CA MET A 155 -23.873 23.954 -0.158 1.00 53.89 C ATOM 1363 C MET A 155 -22.490 23.423 0.209 1.00 48.54 C ATOM 1364 O MET A 155 -22.337 22.802 1.234 1.00 50.53 O ATOM 1365 CB MET A 155 -24.141 25.262 0.600 1.00 51.87 C ATOM 1366 CG MET A 155 -23.173 26.347 0.185 1.00 54.40 C ATOM 1367 SD MET A 155 -23.503 27.985 0.854 1.00 68.35 S ATOM 1368 CE MET A 155 -24.905 28.430 -0.178 1.00 73.89 C ATOM 1369 H MET A 155 -24.631 22.243 0.903 1.00 0.00 H ATOM 1370 N ALA A 156 -21.510 23.687 -0.656 1.00 50.11 N ATOM 1371 CA ALA A 156 -20.174 23.158 -0.521 1.00 51.14 C ATOM 1372 C ALA A 156 -19.173 24.204 -1.012 1.00 53.01 C ATOM 1373 O ALA A 156 -19.486 24.958 -1.942 1.00 54.37 O ATOM 1374 CB ALA A 156 -20.087 21.883 -1.320 1.00 56.95 C ATOM 1375 H ALA A 156 -21.718 24.304 -1.467 1.00 0.00 H ATOM 1376 N THR A 157 -17.971 24.214 -0.422 1.00 54.59 N ATOM 1377 CA THR A 157 -17.001 25.260 -0.723 1.00 57.83 C ATOM 1378 C THR A 157 -16.669 25.225 -2.226 1.00 58.16 C ATOM 1379 O THR A 157 -16.655 24.140 -2.853 1.00 54.76 O ATOM 1380 CB THR A 157 -15.732 25.181 0.133 1.00 57.52 C ATOM 1381 OG1 THR A 157 -14.826 24.311 -0.527 1.00 65.78 O ATOM 1382 CG2 THR A 157 -15.954 24.675 1.536 1.00 56.94 C ATOM 1383 HG1 THR A 157 -14.617 24.673 -1.424 1.00 0.00 H ATOM 1384 H THR A 157 -17.727 23.467 0.259 1.00 0.00 H ATOM 1385 N LYS A 158 -16.423 26.430 -2.777 1.00 61.23 N ATOM 1386 CA LYS A 158 -16.201 26.696 -4.203 1.00 61.33 C ATOM 1387 C LYS A 158 -17.218 25.914 -5.037 1.00 66.22 C ATOM 1388 O LYS A 158 -16.960 25.656 -6.201 1.00 68.58 O ATOM 1389 CB LYS A 158 -14.772 26.345 -4.623 1.00 62.67 C ATOM 1390 CG LYS A 158 -13.708 27.241 -4.014 1.00 69.49 C ATOM 1391 CD LYS A 158 -12.408 26.532 -3.670 1.00 77.21 C ATOM 1392 CE LYS A 158 -11.536 27.349 -2.734 1.00 83.95 C ATOM 1393 NZ LYS A 158 -10.148 26.840 -2.664 1.00 83.95 N ATOM 1394 HZ1 LYS A 158 -10.157 25.859 -2.320 1.00 0.00 H ATOM 1395 HZ2 LYS A 158 -9.720 26.872 -3.611 1.00 0.00 H ATOM 1396 HZ3 LYS A 158 -9.595 27.433 -2.012 1.00 0.00 H ATOM 1397 H LYS A 158 -16.387 27.246 -2.133 1.00 0.00 H ATOM 1398 N ALA A 159 -18.364 25.559 -4.428 1.00 64.94 N ATOM 1399 CA ALA A 159 -19.479 24.855 -5.086 1.00 63.48 C ATOM 1400 C ALA A 159 -19.032 23.506 -5.657 1.00 61.22 C ATOM 1401 O ALA A 159 -19.726 22.961 -6.505 1.00 60.67 O ATOM 1402 CB ALA A 159 -20.077 25.716 -6.175 1.00 59.99 C ATOM 1403 H ALA A 159 -18.471 25.798 -3.422 1.00 0.00 H ATOM 1404 N ASP A 160 -17.897 22.981 -5.184 1.00 55.99 N ATOM 1405 CA ASP A 160 -17.429 21.683 -5.589 1.00 56.28 C ATOM 1406 C ASP A 160 -18.098 20.654 -4.667 1.00 54.62 C ATOM 1407 O ASP A 160 -17.767 20.528 -3.500 1.00 53.99 O ATOM 1408 CB ASP A 160 -15.901 21.611 -5.554 1.00 59.21 C ATOM 1409 CG ASP A 160 -15.345 20.209 -5.769 1.00 60.09 C ATOM 1410 OD1 ASP A 160 -16.147 19.265 -5.931 1.00 65.25 O ATOM 1411 OD2 ASP A 160 -14.116 20.071 -5.773 1.00 65.29 O ATOM 1412 H ASP A 160 -17.335 23.529 -4.502 1.00 0.00 H ATOM 1413 N TYR A 161 -19.039 19.904 -5.223 1.00 54.93 N ATOM 1414 CA TYR A 161 -19.889 19.015 -4.448 1.00 60.47 C ATOM 1415 C TYR A 161 -19.268 17.613 -4.286 1.00 54.78 C ATOM 1416 O TYR A 161 -19.934 16.727 -3.754 1.00 56.00 O ATOM 1417 CB TYR A 161 -21.281 18.995 -5.089 1.00 60.85 C ATOM 1418 CG TYR A 161 -22.014 20.300 -4.926 1.00 64.19 C ATOM 1419 CD1 TYR A 161 -22.589 20.632 -3.707 1.00 67.05 C ATOM 1420 CD2 TYR A 161 -22.092 21.229 -5.954 1.00 61.51 C ATOM 1421 CE1 TYR A 161 -23.251 21.836 -3.517 1.00 67.02 C ATOM 1422 CE2 TYR A 161 -22.752 22.438 -5.781 1.00 63.34 C ATOM 1423 CZ TYR A 161 -23.340 22.740 -4.560 1.00 65.16 C ATOM 1424 OH TYR A 161 -23.995 23.915 -4.347 1.00 61.32 O ATOM 1425 HH TYR A 161 -24.339 23.936 -3.419 1.00 0.00 H ATOM 1426 H TYR A 161 -19.174 19.953 -6.253 1.00 0.00 H ATOM 1427 N THR A 162 -18.027 17.409 -4.758 1.00 54.33 N ATOM 1428 CA THR A 162 -17.235 16.201 -4.495 1.00 56.33 C ATOM 1429 C THR A 162 -17.834 14.947 -5.172 1.00 57.93 C ATOM 1430 O THR A 162 -17.116 14.233 -5.833 1.00 59.84 O ATOM 1431 CB THR A 162 -17.077 15.974 -2.984 1.00 59.06 C ATOM 1432 OG1 THR A 162 -16.454 17.113 -2.390 1.00 58.41 O ATOM 1433 CG2 THR A 162 -16.256 14.747 -2.650 1.00 61.50 C ATOM 1434 HG1 THR A 162 -17.015 17.913 -2.546 1.00 0.00 H ATOM 1435 H THR A 162 -17.601 18.153 -5.346 1.00 0.00 H ATOM 1436 N LEU A 163 -19.119 14.644 -4.935 1.00 58.11 N ATOM 1437 CA LEU A 163 -19.779 13.392 -5.354 1.00 56.06 C ATOM 1438 C LEU A 163 -20.563 13.588 -6.650 1.00 50.28 C ATOM 1439 O LEU A 163 -20.849 14.710 -7.048 1.00 46.76 O ATOM 1440 CB LEU A 163 -20.765 12.982 -4.263 1.00 58.15 C ATOM 1441 CG LEU A 163 -20.134 12.507 -2.967 1.00 57.68 C ATOM 1442 CD1 LEU A 163 -21.195 12.400 -1.895 1.00 56.98 C ATOM 1443 CD2 LEU A 163 -19.422 11.178 -3.164 1.00 60.10 C ATOM 1444 H LEU A 163 -19.692 15.342 -4.419 1.00 0.00 H ATOM 1445 N ASP A 164 -20.984 12.479 -7.252 1.00 50.44 N ATOM 1446 CA ASP A 164 -21.902 12.556 -8.392 1.00 62.42 C ATOM 1447 C ASP A 164 -23.307 12.899 -7.879 1.00 61.63 C ATOM 1448 O ASP A 164 -23.546 12.944 -6.674 1.00 57.17 O ATOM 1449 CB ASP A 164 -21.869 11.284 -9.242 1.00 66.81 C ATOM 1450 CG ASP A 164 -22.186 10.013 -8.481 1.00 71.11 C ATOM 1451 OD1 ASP A 164 -22.886 10.095 -7.455 1.00 76.01 O ATOM 1452 OD2 ASP A 164 -21.716 8.956 -8.921 1.00 78.72 O ATOM 1453 H ASP A 164 -20.660 11.551 -6.912 1.00 0.00 H ATOM 1454 N GLU A 165 -24.221 13.130 -8.822 1.00 66.42 N ATOM 1455 CA GLU A 165 -25.582 13.597 -8.528 1.00 72.62 C ATOM 1456 C GLU A 165 -26.397 12.502 -7.828 1.00 64.09 C ATOM 1457 O GLU A 165 -27.234 12.811 -6.985 1.00 66.32 O ATOM 1458 CB GLU A 165 -26.371 14.013 -9.776 1.00 79.07 C ATOM 1459 CG GLU A 165 -25.657 13.822 -11.104 1.00 93.86 C ATOM 1460 CD GLU A 165 -24.516 14.791 -11.342 1.00 97.26 C ATOM 1461 OE1 GLU A 165 -23.447 14.332 -11.827 1.00 95.08 O ATOM 1462 OE2 GLU A 165 -24.699 15.995 -11.027 1.00 87.07 O ATOM 1463 H GLU A 165 -23.957 12.972 -9.815 1.00 0.00 H ATOM 1464 N GLU A 166 -26.181 11.250 -8.242 1.00 63.88 N ATOM 1465 CA GLU A 166 -26.918 10.071 -7.770 1.00 65.04 C ATOM 1466 C GLU A 166 -26.662 9.866 -6.276 1.00 63.15 C ATOM 1467 O GLU A 166 -27.631 9.693 -5.520 1.00 60.22 O ATOM 1468 CB GLU A 166 -26.487 8.816 -8.535 1.00 70.56 C ATOM 1469 CG GLU A 166 -27.156 7.533 -8.069 1.00 74.68 C ATOM 1470 CD GLU A 166 -26.733 6.306 -8.856 1.00 86.19 C ATOM 1471 OE1 GLU A 166 -27.613 5.489 -9.202 1.00 94.86 O ATOM 1472 OE2 GLU A 166 -25.521 6.169 -9.118 1.00 88.58 O ATOM 1473 H GLU A 166 -25.435 11.099 -8.951 1.00 0.00 H ATOM 1474 N SER A 167 -25.369 9.871 -5.899 1.00 53.56 N ATOM 1475 CA SER A 167 -24.896 9.782 -4.519 1.00 54.98 C ATOM 1476 C SER A 167 -25.502 10.915 -3.661 1.00 52.77 C ATOM 1477 O SER A 167 -26.002 10.689 -2.548 1.00 50.47 O ATOM 1478 CB SER A 167 -23.389 9.803 -4.482 1.00 57.65 C ATOM 1479 OG SER A 167 -22.838 8.808 -5.338 1.00 55.47 O ATOM 1480 HG SER A 167 -23.134 8.974 -6.268 1.00 0.00 H ATOM 1481 H SER A 167 -24.651 9.944 -6.648 1.00 0.00 H ATOM 1482 N ARG A 168 -25.491 12.135 -4.197 1.00 47.72 N ATOM 1483 CA ARG A 168 -26.063 13.301 -3.531 1.00 47.87 C ATOM 1484 C ARG A 168 -27.591 13.177 -3.432 1.00 48.08 C ATOM 1485 O ARG A 168 -28.182 13.495 -2.392 1.00 41.36 O ATOM 1486 CB ARG A 168 -25.670 14.572 -4.280 1.00 51.73 C ATOM 1487 CG ARG A 168 -24.197 14.928 -4.144 1.00 54.07 C ATOM 1488 CD ARG A 168 -23.941 16.349 -4.592 1.00 55.37 C ATOM 1489 NE ARG A 168 -23.614 16.422 -6.000 1.00 59.81 N ATOM 1490 CZ ARG A 168 -24.020 17.370 -6.839 1.00 61.26 C ATOM 1491 NH1 ARG A 168 -24.678 18.430 -6.407 1.00 61.23 N ATOM 1492 NH2 ARG A 168 -23.791 17.230 -8.131 1.00 74.99 N ATOM 1493 HE ARG A 168 -23.010 15.669 -6.388 1.00 0.00 H ATOM 1494 HH12 ARG A 168 -24.987 19.160 -7.080 1.00 0.00 H ATOM 1495 HH11 ARG A 168 -24.888 18.535 -5.394 1.00 0.00 H ATOM 1496 HH22 ARG A 168 -24.104 17.965 -8.797 1.00 0.00 H ATOM 1497 HH21 ARG A 168 -23.298 16.385 -8.483 1.00 0.00 H ATOM 1498 H ARG A 168 -25.055 12.262 -5.133 1.00 0.00 H ATOM 1499 N ALA A 169 -28.226 12.668 -4.490 1.00 47.42 N ATOM 1500 CA ALA A 169 -29.672 12.494 -4.501 1.00 52.31 C ATOM 1501 C ALA A 169 -30.075 11.513 -3.406 1.00 49.46 C ATOM 1502 O ALA A 169 -31.128 11.673 -2.754 1.00 49.89 O ATOM 1503 CB ALA A 169 -30.159 12.029 -5.861 1.00 59.97 C ATOM 1504 H ALA A 169 -27.675 12.389 -5.327 1.00 0.00 H ATOM 1505 N ARG A 170 -29.230 10.502 -3.196 1.00 49.26 N ATOM 1506 CA ARG A 170 -29.542 9.497 -2.203 1.00 53.11 C ATOM 1507 C ARG A 170 -29.438 10.086 -0.788 1.00 47.78 C ATOM 1508 O ARG A 170 -30.304 9.834 0.069 1.00 44.67 O ATOM 1509 CB ARG A 170 -28.649 8.272 -2.378 1.00 60.57 C ATOM 1510 CG ARG A 170 -29.245 7.283 -3.357 1.00 69.46 C ATOM 1511 CD ARG A 170 -28.617 5.932 -3.184 1.00 82.20 C ATOM 1512 NE ARG A 170 -28.005 5.509 -4.433 1.00 95.62 N ATOM 1513 CZ ARG A 170 -27.067 4.584 -4.497 1.00103.45 C ATOM 1514 NH1 ARG A 170 -26.784 3.886 -3.408 1.00103.17 N ATOM 1515 NH2 ARG A 170 -26.414 4.376 -5.629 1.00100.40 N ATOM 1516 HE ARG A 170 -28.321 5.956 -5.317 1.00 0.00 H ATOM 1517 HH12 ARG A 170 -26.048 3.152 -3.437 1.00 0.00 H ATOM 1518 HH11 ARG A 170 -27.298 4.072 -2.523 1.00 0.00 H ATOM 1519 HH22 ARG A 170 -25.675 3.646 -5.676 1.00 0.00 H ATOM 1520 HH21 ARG A 170 -26.640 4.943 -6.471 1.00 0.00 H ATOM 1521 H ARG A 170 -28.349 10.437 -3.745 1.00 0.00 H ATOM 1522 N ILE A 171 -28.412 10.897 -0.540 1.00 43.00 N ATOM 1523 CA ILE A 171 -28.346 11.546 0.744 1.00 44.72 C ATOM 1524 C ILE A 171 -29.579 12.437 0.937 1.00 45.93 C ATOM 1525 O ILE A 171 -30.262 12.339 1.977 1.00 40.83 O ATOM 1526 CB ILE A 171 -27.019 12.291 0.937 1.00 45.26 C ATOM 1527 CG1 ILE A 171 -25.898 11.284 1.182 1.00 42.24 C ATOM 1528 CG2 ILE A 171 -27.123 13.290 2.084 1.00 43.89 C ATOM 1529 CD1 ILE A 171 -24.606 11.680 0.577 1.00 46.65 C ATOM 1530 H ILE A 171 -27.676 11.058 -1.256 1.00 0.00 H ATOM 1531 N LYS A 172 -29.910 13.248 -0.070 1.00 42.87 N ATOM 1532 CA LYS A 172 -31.002 14.191 0.088 1.00 42.20 C ATOM 1533 C LYS A 172 -32.283 13.404 0.320 1.00 42.30 C ATOM 1534 O LYS A 172 -33.104 13.756 1.164 1.00 46.49 O ATOM 1535 CB LYS A 172 -31.124 15.135 -1.119 1.00 48.18 C ATOM 1536 CG LYS A 172 -29.960 16.105 -1.337 1.00 43.98 C ATOM 1537 CD LYS A 172 -29.943 16.713 -2.718 1.00 46.21 C ATOM 1538 CE LYS A 172 -28.844 17.741 -2.885 1.00 47.87 C ATOM 1539 NZ LYS A 172 -28.575 18.010 -4.309 1.00 48.70 N ATOM 1540 HZ1 LYS A 172 -28.279 17.130 -4.777 1.00 0.00 H ATOM 1541 HZ2 LYS A 172 -29.439 18.372 -4.761 1.00 0.00 H ATOM 1542 HZ3 LYS A 172 -27.818 18.718 -4.390 1.00 0.00 H ATOM 1543 H LYS A 172 -29.386 13.204 -0.967 1.00 0.00 H ATOM 1544 N THR A 173 -32.453 12.309 -0.415 1.00 46.24 N ATOM 1545 CA THR A 173 -33.698 11.541 -0.247 1.00 46.33 C ATOM 1546 C THR A 173 -33.803 10.981 1.186 1.00 47.76 C ATOM 1547 O THR A 173 -34.925 10.892 1.736 1.00 46.31 O ATOM 1548 CB THR A 173 -33.816 10.428 -1.289 1.00 41.14 C ATOM 1549 OG1 THR A 173 -33.605 11.042 -2.567 1.00 41.46 O ATOM 1550 CG2 THR A 173 -35.144 9.707 -1.181 1.00 36.38 C ATOM 1551 HG1 THR A 173 -32.705 11.454 -2.589 1.00 0.00 H ATOM 1552 H THR A 173 -31.725 12.003 -1.092 1.00 0.00 H ATOM 1553 N ARG A 174 -32.661 10.561 1.770 1.00 45.15 N ATOM 1554 CA ARG A 174 -32.661 9.903 3.078 1.00 44.17 C ATOM 1555 C ARG A 174 -33.026 10.943 4.150 1.00 45.10 C ATOM 1556 O ARG A 174 -33.868 10.671 5.062 1.00 48.22 O ATOM 1557 CB ARG A 174 -31.326 9.195 3.333 1.00 42.54 C ATOM 1558 CG ARG A 174 -31.203 8.572 4.717 1.00 42.03 C ATOM 1559 CD ARG A 174 -32.273 7.532 5.007 1.00 43.53 C ATOM 1560 NE ARG A 174 -32.017 6.843 6.267 1.00 48.82 N ATOM 1561 CZ ARG A 174 -32.859 6.726 7.312 1.00 46.30 C ATOM 1562 NH1 ARG A 174 -34.163 6.839 7.174 1.00 43.54 N ATOM 1563 NH2 ARG A 174 -32.380 6.493 8.519 1.00 45.30 N ATOM 1564 HE ARG A 174 -31.085 6.394 6.370 1.00 0.00 H ATOM 1565 HH12 ARG A 174 -34.784 6.743 8.003 1.00 0.00 H ATOM 1566 HH11 ARG A 174 -34.573 7.024 6.236 1.00 0.00 H ATOM 1567 HH22 ARG A 174 -33.028 6.402 9.327 1.00 0.00 H ATOM 1568 HH21 ARG A 174 -31.354 6.400 8.662 1.00 0.00 H ATOM 1569 H ARG A 174 -31.757 10.709 1.278 1.00 0.00 H ATOM 1570 N LEU A 175 -32.475 12.153 3.996 1.00 41.45 N ATOM 1571 CA LEU A 175 -32.757 13.275 4.920 1.00 41.33 C ATOM 1572 C LEU A 175 -34.219 13.735 4.792 1.00 39.38 C ATOM 1573 O LEU A 175 -34.912 13.866 5.815 1.00 47.09 O ATOM 1574 CB LEU A 175 -31.770 14.410 4.639 1.00 39.57 C ATOM 1575 CG LEU A 175 -30.336 14.127 5.052 1.00 41.13 C ATOM 1576 CD1 LEU A 175 -29.366 15.078 4.384 1.00 44.27 C ATOM 1577 CD2 LEU A 175 -30.193 14.188 6.564 1.00 48.26 C ATOM 1578 H LEU A 175 -31.826 12.311 3.199 1.00 0.00 H ATOM 1579 N PHE A 176 -34.721 13.937 3.566 1.00 37.93 N ATOM 1580 CA PHE A 176 -36.151 14.322 3.408 1.00 41.02 C ATOM 1581 C PHE A 176 -37.037 13.263 4.101 1.00 40.75 C ATOM 1582 O PHE A 176 -37.963 13.579 4.852 1.00 41.83 O ATOM 1583 CB PHE A 176 -36.497 14.557 1.935 1.00 40.09 C ATOM 1584 CG PHE A 176 -37.877 15.098 1.678 1.00 39.37 C ATOM 1585 CD1 PHE A 176 -38.957 14.246 1.558 1.00 41.40 C ATOM 1586 CD2 PHE A 176 -38.104 16.466 1.550 1.00 42.79 C ATOM 1587 CE1 PHE A 176 -40.241 14.757 1.351 1.00 48.73 C ATOM 1588 CE2 PHE A 176 -39.386 16.984 1.358 1.00 38.67 C ATOM 1589 CZ PHE A 176 -40.458 16.127 1.250 1.00 45.30 C ATOM 1590 H PHE A 176 -34.115 13.825 2.728 1.00 0.00 H ATOM 1591 N THR A 177 -36.702 11.994 3.907 1.00 37.62 N ATOM 1592 CA THR A 177 -37.479 10.895 4.443 1.00 42.38 C ATOM 1593 C THR A 177 -37.483 10.917 5.980 1.00 39.90 C ATOM 1594 O THR A 177 -38.538 10.640 6.612 1.00 38.11 O ATOM 1595 CB THR A 177 -36.928 9.542 3.953 1.00 45.88 C ATOM 1596 OG1 THR A 177 -36.874 9.553 2.522 1.00 47.44 O ATOM 1597 CG2 THR A 177 -37.752 8.361 4.421 1.00 39.06 C ATOM 1598 HG1 THR A 177 -36.280 10.285 2.221 1.00 0.00 H ATOM 1599 H THR A 177 -35.850 11.780 3.350 1.00 0.00 H ATOM 1600 N ILE A 178 -36.314 11.178 6.577 1.00 37.95 N ATOM 1601 CA ILE A 178 -36.230 11.270 8.046 1.00 40.79 C ATOM 1602 C ILE A 178 -37.147 12.400 8.515 1.00 39.49 C ATOM 1603 O ILE A 178 -37.815 12.284 9.552 1.00 39.29 O ATOM 1604 CB ILE A 178 -34.792 11.496 8.554 1.00 41.71 C ATOM 1605 CG1 ILE A 178 -33.947 10.216 8.470 1.00 39.93 C ATOM 1606 CG2 ILE A 178 -34.830 12.066 9.974 1.00 39.38 C ATOM 1607 CD1 ILE A 178 -32.434 10.450 8.505 1.00 42.14 C ATOM 1608 H ILE A 178 -35.459 11.317 6.001 1.00 0.00 H ATOM 1609 N ARG A 179 -37.154 13.487 7.741 1.00 39.40 N ATOM 1610 CA ARG A 179 -37.942 14.626 8.096 1.00 43.01 C ATOM 1611 C ARG A 179 -39.409 14.216 8.067 1.00 43.59 C ATOM 1612 O ARG A 179 -40.160 14.553 8.986 1.00 45.97 O ATOM 1613 CB ARG A 179 -37.653 15.816 7.182 1.00 44.40 C ATOM 1614 CG ARG A 179 -38.743 16.875 7.229 1.00 49.29 C ATOM 1615 CD ARG A 179 -38.418 18.113 6.411 1.00 53.04 C ATOM 1616 NE ARG A 179 -39.611 18.850 6.007 1.00 53.41 N ATOM 1617 CZ ARG A 179 -39.639 19.676 4.976 1.00 49.19 C ATOM 1618 NH1 ARG A 179 -38.540 19.896 4.268 1.00 50.34 N ATOM 1619 NH2 ARG A 179 -40.767 20.257 4.645 1.00 42.96 N ATOM 1620 HE ARG A 179 -40.483 18.719 6.558 1.00 0.00 H ATOM 1621 HH12 ARG A 179 -38.565 20.547 3.457 1.00 0.00 H ATOM 1622 HH11 ARG A 179 -37.652 19.418 4.523 1.00 0.00 H ATOM 1623 HH22 ARG A 179 -40.798 20.909 3.835 1.00 0.00 H ATOM 1624 HH21 ARG A 179 -41.630 20.066 5.192 1.00 0.00 H ATOM 1625 H ARG A 179 -36.582 13.506 6.873 1.00 0.00 H ATOM 1626 N GLN A 180 -39.793 13.464 7.033 1.00 40.87 N ATOM 1627 CA GLN A 180 -41.198 13.195 6.837 1.00 43.47 C ATOM 1628 C GLN A 180 -41.629 12.131 7.848 1.00 45.48 C ATOM 1629 O GLN A 180 -42.797 12.117 8.244 1.00 37.80 O ATOM 1630 CB GLN A 180 -41.516 12.824 5.385 1.00 41.91 C ATOM 1631 CG GLN A 180 -41.455 14.007 4.424 1.00 41.46 C ATOM 1632 CD GLN A 180 -42.465 15.075 4.754 1.00 42.14 C ATOM 1633 OE1 GLN A 180 -43.579 14.757 5.193 1.00 44.10 O ATOM 1634 NE2 GLN A 180 -42.087 16.336 4.536 1.00 32.96 N ATOM 1635 HE22 GLN A 180 -41.136 16.537 4.166 1.00 0.00 H ATOM 1636 HE21 GLN A 180 -42.743 17.118 4.737 1.00 0.00 H ATOM 1637 H GLN A 180 -39.087 13.076 6.375 1.00 0.00 H ATOM 1638 N GLU A 181 -40.705 11.243 8.240 1.00 43.51 N ATOM 1639 CA GLU A 181 -41.063 10.258 9.254 1.00 52.05 C ATOM 1640 C GLU A 181 -41.272 10.995 10.587 1.00 51.81 C ATOM 1641 O GLU A 181 -42.293 10.791 11.277 1.00 44.07 O ATOM 1642 CB GLU A 181 -40.038 9.120 9.389 1.00 57.94 C ATOM 1643 CG GLU A 181 -40.455 7.807 8.721 1.00 63.98 C ATOM 1644 CD GLU A 181 -41.808 7.228 9.130 1.00 71.05 C ATOM 1645 OE1 GLU A 181 -42.126 7.226 10.358 1.00 75.77 O ATOM 1646 OE2 GLU A 181 -42.569 6.818 8.216 1.00 71.84 O ATOM 1647 H GLU A 181 -39.750 11.256 7.829 1.00 0.00 H ATOM 1648 N MET A 182 -40.322 11.866 10.944 1.00 47.97 N ATOM 1649 CA MET A 182 -40.518 12.689 12.140 1.00 48.29 C ATOM 1650 C MET A 182 -41.870 13.388 12.016 1.00 48.20 C ATOM 1651 O MET A 182 -42.656 13.372 12.954 1.00 44.33 O ATOM 1652 CB MET A 182 -39.411 13.731 12.338 1.00 45.82 C ATOM 1653 CG MET A 182 -38.163 13.163 12.980 1.00 45.46 C ATOM 1654 SD MET A 182 -36.795 14.334 12.959 1.00 49.53 S ATOM 1655 CE MET A 182 -35.414 13.296 13.406 1.00 48.95 C ATOM 1656 H MET A 182 -39.454 11.958 10.379 1.00 0.00 H ATOM 1657 N ALA A 183 -42.142 13.972 10.840 1.00 50.42 N ATOM 1658 CA ALA A 183 -43.351 14.800 10.686 1.00 51.89 C ATOM 1659 C ALA A 183 -44.575 13.930 10.957 1.00 52.32 C ATOM 1660 O ALA A 183 -45.488 14.344 11.668 1.00 59.81 O ATOM 1661 CB ALA A 183 -43.406 15.433 9.321 1.00 56.21 C ATOM 1662 H ALA A 183 -41.498 13.840 10.034 1.00 0.00 H ATOM 1663 N SER A 184 -44.533 12.717 10.399 1.00 57.13 N ATOM 1664 CA SER A 184 -45.567 11.679 10.509 1.00 58.46 C ATOM 1665 C SER A 184 -45.932 11.408 11.980 1.00 64.18 C ATOM 1666 O SER A 184 -47.116 11.180 12.290 1.00 54.06 O ATOM 1667 CB SER A 184 -45.099 10.422 9.849 1.00 51.51 C ATOM 1668 OG SER A 184 -46.178 9.532 9.721 1.00 62.96 O ATOM 1669 HG SER A 184 -46.538 9.320 10.619 1.00 0.00 H ATOM 1670 H SER A 184 -43.691 12.486 9.835 1.00 0.00 H ATOM 1671 N ARG A 185 -44.913 11.469 12.860 1.00 59.84 N ATOM 1672 CA ARG A 185 -45.021 11.201 14.302 1.00 57.66 C ATOM 1673 C ARG A 185 -45.113 12.496 15.127 1.00 53.90 C ATOM 1674 O ARG A 185 -44.771 12.509 16.287 1.00 51.87 O ATOM 1675 CB ARG A 185 -43.794 10.402 14.762 1.00 54.79 C ATOM 1676 CG ARG A 185 -43.716 9.019 14.139 1.00 55.92 C ATOM 1677 CD ARG A 185 -42.486 8.281 14.594 1.00 62.38 C ATOM 1678 NE ARG A 185 -42.203 7.121 13.761 1.00 68.22 N ATOM 1679 CZ ARG A 185 -41.688 5.984 14.223 1.00 82.39 C ATOM 1680 NH1 ARG A 185 -41.624 5.778 15.532 1.00 88.57 N ATOM 1681 NH2 ARG A 185 -41.242 5.066 13.378 1.00 79.75 N ATOM 1682 HE ARG A 185 -42.416 7.185 12.745 1.00 0.00 H ATOM 1683 HH12 ARG A 185 -41.223 4.892 15.900 1.00 0.00 H ATOM 1684 HH11 ARG A 185 -41.975 6.503 16.190 1.00 0.00 H ATOM 1685 HH22 ARG A 185 -40.840 4.178 13.740 1.00 0.00 H ATOM 1686 HH21 ARG A 185 -41.294 5.234 12.353 1.00 0.00 H ATOM 1687 H ARG A 185 -43.976 11.726 12.490 1.00 0.00 H ATOM 1688 N SER A 186 -45.530 13.597 14.513 1.00 57.08 N ATOM 1689 CA SER A 186 -45.613 14.890 15.192 1.00 58.75 C ATOM 1690 C SER A 186 -44.331 15.178 15.981 1.00 57.72 C ATOM 1691 O SER A 186 -44.411 15.643 17.109 1.00 56.53 O ATOM 1692 CB SER A 186 -46.843 14.943 16.071 1.00 55.67 C ATOM 1693 OG SER A 186 -48.006 15.207 15.285 1.00 63.64 O ATOM 1694 HG SER A 186 -48.801 15.238 15.874 1.00 0.00 H ATOM 1695 H SER A 186 -45.808 13.538 13.513 1.00 0.00 H ATOM 1696 N LEU A 187 -43.157 14.907 15.381 1.00 57.86 N ATOM 1697 CA LEU A 187 -41.857 15.076 16.069 1.00 52.78 C ATOM 1698 C LEU A 187 -40.990 16.138 15.395 1.00 48.77 C ATOM 1699 O LEU A 187 -39.915 16.477 15.903 1.00 49.61 O ATOM 1700 CB LEU A 187 -41.123 13.739 16.089 1.00 52.76 C ATOM 1701 CG LEU A 187 -41.613 12.728 17.125 1.00 56.26 C ATOM 1702 CD1 LEU A 187 -40.710 11.495 17.131 1.00 57.93 C ATOM 1703 CD2 LEU A 187 -41.667 13.342 18.510 1.00 57.70 C ATOM 1704 H LEU A 187 -43.163 14.566 14.398 1.00 0.00 H ATOM 1705 N TRP A 188 -41.463 16.660 14.261 1.00 48.90 N ATOM 1706 CA TRP A 188 -40.608 17.428 13.396 1.00 49.90 C ATOM 1707 C TRP A 188 -40.514 18.880 13.886 1.00 51.82 C ATOM 1708 O TRP A 188 -39.433 19.470 13.742 1.00 45.82 O ATOM 1709 CB TRP A 188 -41.065 17.337 11.935 1.00 48.80 C ATOM 1710 CG TRP A 188 -40.345 18.307 11.048 1.00 47.60 C ATOM 1711 CD1 TRP A 188 -40.869 19.436 10.484 1.00 42.78 C ATOM 1712 CD2 TRP A 188 -38.945 18.301 10.706 1.00 45.64 C ATOM 1713 NE1 TRP A 188 -39.899 20.117 9.800 1.00 47.41 N ATOM 1714 CE2 TRP A 188 -38.713 19.440 9.903 1.00 45.06 C ATOM 1715 CE3 TRP A 188 -37.871 17.451 10.988 1.00 47.49 C ATOM 1716 CZ2 TRP A 188 -37.470 19.721 9.350 1.00 43.01 C ATOM 1717 CZ3 TRP A 188 -36.634 17.727 10.448 1.00 43.38 C ATOM 1718 CH2 TRP A 188 -36.439 18.850 9.638 1.00 47.69 C ATOM 1719 HE1 TRP A 188 -40.040 21.008 9.283 1.00 0.00 H ATOM 1720 H TRP A 188 -42.459 16.510 14.001 1.00 0.00 H ATOM 1721 N ASP A 189 -41.598 19.439 14.462 1.00 51.93 N ATOM 1722 CA ASP A 189 -41.576 20.865 14.908 1.00 60.25 C ATOM 1723 C ASP A 189 -40.597 21.064 16.069 1.00 54.92 C ATOM 1724 O ASP A 189 -39.894 22.057 16.101 1.00 55.21 O ATOM 1725 CB ASP A 189 -42.964 21.422 15.242 1.00 68.62 C ATOM 1726 CG ASP A 189 -43.627 22.078 14.039 1.00 75.31 C ATOM 1727 OD1 ASP A 189 -43.031 23.022 13.469 1.00 81.19 O ATOM 1728 OD2 ASP A 189 -44.708 21.614 13.652 1.00 83.78 O ATOM 1729 H ASP A 189 -42.459 18.871 14.597 1.00 0.00 H ATOM 1730 N SER A 190 -40.560 20.111 16.999 1.00 53.31 N ATOM 1731 CA SER A 190 -39.608 20.125 18.090 1.00 51.74 C ATOM 1732 C SER A 190 -38.210 20.123 17.488 1.00 55.00 C ATOM 1733 O SER A 190 -37.358 20.929 17.839 1.00 56.15 O ATOM 1734 CB SER A 190 -39.832 18.924 19.020 1.00 53.74 C ATOM 1735 OG SER A 190 -38.794 18.774 19.995 1.00 53.87 O ATOM 1736 HG SER A 190 -38.989 17.988 20.565 1.00 0.00 H ATOM 1737 H SER A 190 -41.241 19.327 16.939 1.00 0.00 H ATOM 1738 N PHE A 191 -38.010 19.186 16.560 1.00 58.10 N ATOM 1739 CA PHE A 191 -36.690 18.866 16.079 1.00 58.37 C ATOM 1740 C PHE A 191 -36.162 20.035 15.225 1.00 56.18 C ATOM 1741 O PHE A 191 -34.986 20.429 15.336 1.00 57.39 O ATOM 1742 CB PHE A 191 -36.735 17.508 15.366 1.00 54.59 C ATOM 1743 CG PHE A 191 -35.378 17.068 14.880 1.00 58.88 C ATOM 1744 CD1 PHE A 191 -34.364 16.770 15.783 1.00 55.81 C ATOM 1745 CD2 PHE A 191 -35.079 17.054 13.526 1.00 55.47 C ATOM 1746 CE1 PHE A 191 -33.101 16.411 15.331 1.00 56.20 C ATOM 1747 CE2 PHE A 191 -33.808 16.717 13.081 1.00 54.24 C ATOM 1748 CZ PHE A 191 -32.823 16.387 13.981 1.00 54.54 C ATOM 1749 H PHE A 191 -38.828 18.673 16.174 1.00 0.00 H ATOM 1750 N ARG A 192 -37.044 20.564 14.364 1.00 56.31 N ATOM 1751 CA ARG A 192 -36.804 21.754 13.539 1.00 60.64 C ATOM 1752 C ARG A 192 -36.223 22.888 14.385 1.00 60.47 C ATOM 1753 O ARG A 192 -35.262 23.492 13.975 1.00 49.56 O ATOM 1754 CB ARG A 192 -38.090 22.292 12.903 1.00 56.91 C ATOM 1755 CG ARG A 192 -37.835 23.384 11.875 1.00 64.78 C ATOM 1756 CD ARG A 192 -38.567 24.698 12.128 1.00 76.91 C ATOM 1757 NE ARG A 192 -39.997 24.529 12.426 1.00 82.98 N ATOM 1758 CZ ARG A 192 -40.758 25.456 13.008 1.00 79.38 C ATOM 1759 NH1 ARG A 192 -42.046 25.241 13.229 1.00 79.60 N ATOM 1760 NH2 ARG A 192 -40.215 26.604 13.373 1.00 96.97 N ATOM 1761 HE ARG A 192 -40.444 23.627 12.166 1.00 0.00 H ATOM 1762 HH12 ARG A 192 -42.625 25.975 13.684 1.00 0.00 H ATOM 1763 HH11 ARG A 192 -42.478 24.338 12.947 1.00 0.00 H ATOM 1764 HH22 ARG A 192 -40.799 27.334 13.828 1.00 0.00 H ATOM 1765 HH21 ARG A 192 -39.203 26.777 13.205 1.00 0.00 H ATOM 1766 H ARG A 192 -37.968 20.095 14.274 1.00 0.00 H ATOM 1767 N GLN A 193 -36.840 23.145 15.555 1.00 62.44 N ATOM 1768 CA GLN A 193 -36.666 24.380 16.314 1.00 55.91 C ATOM 1769 C GLN A 193 -35.539 24.216 17.340 1.00 57.05 C ATOM 1770 O GLN A 193 -35.325 25.131 18.149 1.00 63.00 O ATOM 1771 CB GLN A 193 -37.964 24.777 17.028 1.00 56.83 C ATOM 1772 CG GLN A 193 -39.066 25.298 16.119 1.00 54.79 C ATOM 1773 CD GLN A 193 -40.281 25.746 16.900 1.00 59.18 C ATOM 1774 OE1 GLN A 193 -40.239 26.751 17.602 1.00 56.71 O ATOM 1775 NE2 GLN A 193 -41.371 24.996 16.793 1.00 54.51 N ATOM 1776 HE22 GLN A 193 -41.364 24.151 16.186 1.00 0.00 H ATOM 1777 HE21 GLN A 193 -42.232 25.253 17.316 1.00 0.00 H ATOM 1778 H GLN A 193 -37.478 22.420 15.940 1.00 0.00 H ATOM 1779 N SER A 194 -34.781 23.112 17.256 1.00 55.12 N ATOM 1780 CA SER A 194 -33.895 22.640 18.341 1.00 55.71 C ATOM 1781 C SER A 194 -32.416 22.668 17.934 1.00 57.99 C ATOM 1782 O SER A 194 -31.556 22.048 18.598 1.00 54.70 O ATOM 1783 CB SER A 194 -34.339 21.260 18.783 1.00 59.90 C ATOM 1784 OG SER A 194 -33.382 20.612 19.598 1.00 62.70 O ATOM 1785 HG SER A 194 -32.535 20.511 19.095 1.00 0.00 H ATOM 1786 H SER A 194 -34.819 22.557 16.377 1.00 0.00 H ATOM 1787 N GLU A 195 -32.095 23.422 16.879 1.00 59.61 N ATOM 1788 CA GLU A 195 -30.718 23.468 16.395 1.00 67.70 C ATOM 1789 C GLU A 195 -30.004 24.693 16.992 1.00 76.91 C ATOM 1790 O GLU A 195 -30.495 25.818 16.944 1.00 76.13 O ATOM 1791 CB GLU A 195 -30.671 23.448 14.859 1.00 64.60 C ATOM 1792 CG GLU A 195 -29.257 23.258 14.314 1.00 61.21 C ATOM 1793 CD GLU A 195 -29.121 22.978 12.823 1.00 56.41 C ATOM 1794 OE1 GLU A 195 -29.538 21.917 12.400 1.00 53.47 O ATOM 1795 OE2 GLU A 195 -28.589 23.822 12.092 1.00 55.79 O ATOM 1796 H GLU A 195 -32.830 23.980 16.399 1.00 0.00 H ATOM 1797 N ARG A 196 -28.761 24.473 17.428 1.00 97.54 N ATOM 1798 CA ARG A 196 -28.005 25.402 18.281 1.00 98.18 C ATOM 1799 C ARG A 196 -27.018 26.207 17.413 1.00 92.19 C ATOM 1800 O ARG A 196 -26.110 25.660 16.761 1.00 84.51 O ATOM 1801 CB ARG A 196 -27.345 24.621 19.428 1.00 98.05 C ATOM 1802 CG ARG A 196 -27.037 23.156 19.127 1.00103.61 C ATOM 1803 CD ARG A 196 -28.215 22.171 19.035 1.00105.80 C ATOM 1804 NE ARG A 196 -28.061 21.273 17.881 1.00109.08 N ATOM 1805 CZ ARG A 196 -28.321 19.964 17.854 1.00 90.35 C ATOM 1806 NH1 ARG A 196 -27.448 19.154 17.288 1.00 73.36 N ATOM 1807 NH2 ARG A 196 -29.440 19.466 18.353 1.00 85.36 N ATOM 1808 HE ARG A 196 -27.715 21.700 16.998 1.00 0.00 H ATOM 1809 HH12 ARG A 196 -27.632 18.131 17.257 1.00 0.00 H ATOM 1810 HH11 ARG A 196 -26.575 19.538 16.873 1.00 0.00 H ATOM 1811 HH22 ARG A 196 -29.614 18.441 18.317 1.00 0.00 H ATOM 1812 HH21 ARG A 196 -30.145 20.099 18.781 1.00 0.00 H ATOM 1813 H ARG A 196 -28.297 23.586 17.146 1.00 0.00 H TER 1814 ARG A 196 HETATM 1815 MN MN A 1 -19.734 17.125 10.650 1.00 51.46 MN HETATM 1816 MN MN A 2 -17.271 15.271 12.809 1.00 72.22 MN HETATM 1817 O HOH 3 -15.968 17.209 12.070 1.00 53.41 O HETATM 1818 O HOH 4 -24.948 20.418 20.030 1.00 77.50 O HETATM 1819 O HOH 5 -17.981 18.726 -1.539 1.00 52.87 O HETATM 1820 O HOH 6 -15.283 13.920 13.204 1.00 50.88 O HETATM 1821 O HOH 7 -26.382 22.112 14.393 1.00 57.61 O HETATM 1822 O HOH 8 -23.434 18.917 11.564 1.00 48.08 O HETATM 1823 O HOH 9 -13.852 16.573 -1.613 1.00 43.01 O HETATM 1824 O HOH 10 -15.156 16.904 -7.099 1.00 55.39 O HETATM 1825 O HOH 11 -29.619 18.475 11.664 1.00 40.64 O HETATM 1826 O HOH 12 -16.550 13.348 16.577 1.00 65.82 O HETATM 1827 O HOH 13 -29.304 15.975 -6.303 1.00 46.36 O HETATM 1828 O HOH 14 -30.089 21.635 21.178 1.00 67.29 O HETATM 1829 O HOH 15 -19.897 9.804 -6.423 1.00 64.53 O HETATM 1830 O HOH 16 -27.978 16.573 12.244 1.00 47.12 O HETATM 1831 O HOH 17 -44.229 17.674 13.401 1.00 40.14 O HETATM 1832 O HOH 18 -20.816 10.436 16.246 1.00 47.43 O HETATM 1833 O HOH 19 -6.621 20.761 7.039 1.00 45.93 O HETATM 1834 O HOH 20 -16.542 20.637 13.302 1.00 62.08 O HETATM 1835 O HOH 21 -42.729 18.665 7.201 1.00 43.84 O HETATM 1836 O HOH 22 -43.221 8.551 5.295 1.00 53.26 O HETATM 1837 O HOH 23 -20.556 23.237 14.570 1.00 62.99 O HETATM 1838 O HOH 24 -25.498 17.432 12.783 1.00 50.84 O HETATM 1839 O HOH 25 -21.336 14.876 15.675 1.00 59.43 O HETATM 1840 O HOH 26 -23.541 16.098 14.904 1.00 65.70 O HETATM 1841 O HOH 27 -22.017 14.250 21.547 1.00 57.78 O HETATM 1842 OAA HOG A 28 -24.386 21.659 18.232 1.00 -0.56 O HETATM 1843 CAM HOG A 28 -23.725 21.680 17.171 1.00 0.06 C HETATM 1844 OAC HOG A 28 -24.263 22.030 16.083 1.00 -0.56 O HETATM 1845 CAP HOG A 28 -22.382 21.312 17.183 1.00 0.01 C HETATM 1846 CAK HOG A 28 -21.986 20.297 16.317 1.00 -0.04 C HETATM 1847 CAQ HOG A 28 -20.665 19.870 16.307 1.00 -0.01 C HETATM 1848 CAI HOG A 28 -19.721 20.536 17.111 1.00 -0.05 C HETATM 1849 CAG HOG A 28 -20.111 21.556 17.985 1.00 -0.06 C HETATM 1850 CAH HOG A 28 -21.451 21.946 18.023 1.00 -0.05 C HETATM 1851 H2 HOG A 28 -21.771 22.733 18.696 1.00 0.07 H HETATM 1852 H3 HOG A 28 -19.381 22.038 18.625 1.00 0.06 H HETATM 1853 H4 HOG A 28 -18.676 20.254 17.052 1.00 0.06 H HETATM 1854 CAR HOG A 28 -20.217 18.913 15.400 1.00 0.03 C HETATM 1855 CAJ HOG A 28 -20.800 18.916 14.127 1.00 -0.00 C HETATM 1856 CAO HOG A 28 -20.327 18.049 13.164 1.00 0.14 C HETATM 1857 CAS HOG A 28 -19.257 17.219 13.489 1.00 0.16 C HETATM 1858 CAT HOG A 28 -18.666 17.220 14.776 1.00 0.10 C HETATM 1859 NAL HOG A 28 -19.177 18.086 15.677 1.00 -0.30 N HETATM 1860 CAN HOG A 28 -17.600 16.397 15.220 1.00 0.07 C HETATM 1861 OAD HOG A 28 -17.409 16.232 16.435 1.00 -0.56 O HETATM 1862 OAB HOG A 28 -16.834 15.787 14.450 1.00 -0.56 O HETATM 1863 OAF HOG A 28 -18.815 16.394 12.527 1.00 -0.32 O HETATM 1864 H6 HOG A 28 -17.899 16.577 12.351 1.00 0.25 H HETATM 1865 OAE HOG A 28 -20.884 18.011 11.912 1.00 -0.33 O HETATM 1866 H7 HOG A 28 -21.216 17.138 11.741 1.00 0.25 H HETATM 1867 H5 HOG A 28 -21.615 19.593 13.900 1.00 0.06 H HETATM 1868 H1 HOG A 28 -22.709 19.840 15.651 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 412 410 411 1815 CONECT 518 519 526 527 528 CONECT 526 518 CONECT 527 518 CONECT 528 518 CONECT 618 616 1816 CONECT 887 886 1816 CONECT 888 886 1815 CONECT 1016 1014 1815 CONECT 1021 1020 1815 CONECT 1221 1222 1230 1231 1232 CONECT 1230 1221 CONECT 1231 1221 CONECT 1232 1221 CONECT 1815 412 888 1016 1021 CONECT 1816 618 887 CONECT 1842 1843 CONECT 1843 1842 1844 1845 CONECT 1844 1843 CONECT 1845 1843 1846 1850 CONECT 1846 1845 1847 1868 CONECT 1847 1846 1848 1854 CONECT 1848 1847 1849 1853 CONECT 1849 1848 1850 1852 CONECT 1850 1845 1849 1851 CONECT 1851 1850 CONECT 1852 1849 CONECT 1853 1848 CONECT 1854 1847 1855 1859 CONECT 1855 1854 1856 1867 CONECT 1856 1855 1857 1865 CONECT 1857 1856 1858 1863 CONECT 1858 1857 1859 1860 CONECT 1859 1854 1858 CONECT 1860 1858 1861 1862 CONECT 1861 1860 CONECT 1862 1860 CONECT 1863 1857 1864 CONECT 1864 1863 CONECT 1865 1856 1866 CONECT 1866 1865 CONECT 1867 1855 CONECT 1868 1846 MASTER 0 0 0 0 0 0 0 0 1865 3 47 16 END
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Related entries of code: 6e3m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4avg
RCSB PDB
PDBbind
204aa, >4AVG_1|Chains... at 97%
4awf
RCSB PDB
PDBbind
204aa, >4AWF_1|Chains... at 97%
4awg
RCSB PDB
PDBbind
204aa, >4AWG_1|Chains... at 97%
4awm
RCSB PDB
PDBbind
192aa, >4AWM_1|Chain... at 96%
4e5f
RCSB PDB
PDBbind
187aa, >4E5F_1|Chains... at 91%
4e5g
RCSB PDB
PDBbind
187aa, >4E5G_1|Chains... at 91%
4e5h
RCSB PDB
PDBbind
187aa, >4E5H_1|Chains... at 91%
4e5i
RCSB PDB
PDBbind
187aa, >4E5I_1|Chains... at 91%
4e5j
RCSB PDB
PDBbind
187aa, >4E5J_1|Chains... at 91%
4kil
RCSB PDB
PDBbind
213aa, >4KIL_1|Chain... at 98%
4ln7
RCSB PDB
PDBbind
209aa, >4LN7_1|Chain... at 100%
4m4q
RCSB PDB
PDBbind
241aa, >4M4Q_1|Chain... *
4m5o
RCSB PDB
PDBbind
241aa, >4M5O_1|Chain... at 100%
4m5r
RCSB PDB
PDBbind
241aa, >4M5R_1|Chain... at 100%
4m5u
RCSB PDB
PDBbind
241aa, >4M5U_1|Chain... at 100%
4mk1
RCSB PDB
PDBbind
241aa, >4MK1_1|Chain... at 100%
4mk2
RCSB PDB
PDBbind
241aa, >4MK2_1|Chain... at 100%
4mk5
RCSB PDB
PDBbind
241aa, >4MK5_1|Chain... at 100%
4w9s
RCSB PDB
PDBbind
241aa, >4W9S_1|Chain... at 100%
5cgv
RCSB PDB
PDBbind
187aa, >5CGV_1|Chain... at 94%
5ega
RCSB PDB
PDBbind
187aa, >5EGA_1|Chain... at 94%
5w44
RCSB PDB
PDBbind
178aa, >5W44_1|Chain... at 98%
5w73
RCSB PDB
PDBbind
197aa, >5W73_1|Chain... at 93%
5w7u
RCSB PDB
PDBbind
197aa, >5W7U_1|Chain... at 93%
5w92
RCSB PDB
PDBbind
197aa, >5W92_1|Chain... at 93%
5w9g
RCSB PDB
PDBbind
197aa, >5W9G_1|Chain... at 93%
5wa7
RCSB PDB
PDBbind
197aa, >5WA7_1|Chain... at 93%
5wap
RCSB PDB
PDBbind
197aa, >5WAP_1|Chain... at 93%
5wb3
RCSB PDB
PDBbind
197aa, >5WB3_1|Chain... at 93%
5wdc
RCSB PDB
PDBbind
197aa, >5WDC_1|Chain... at 93%
5wdw
RCSB PDB
PDBbind
197aa, >5WDW_1|Chain... at 93%
5we9
RCSB PDB
PDBbind
187aa, >5WE9_1|Chain... at 94%
5web
RCSB PDB
PDBbind
197aa, >5WEB_1|Chain... at 93%
5wef
RCSB PDB
PDBbind
187aa, >5WEF_1|Chain... at 93%
5wei
RCSB PDB
PDBbind
197aa, >5WEI_1|Chain... at 92%
5wf3
RCSB PDB
PDBbind
197aa, >5WF3_1|Chain... at 92%
5wfm
RCSB PDB
PDBbind
197aa, >5WFM_1|Chain... at 92%
5wfw
RCSB PDB
PDBbind
197aa, >5WFW_1|Chain... at 92%
5wfz
RCSB PDB
PDBbind
197aa, >5WFZ_1|Chain... at 92%
5wg9
RCSB PDB
PDBbind
197aa, >5WG9_1|Chain... at 92%
6dcy
RCSB PDB
PDBbind
192aa, >6DCY_1|Chain... at 96%
6dcz
RCSB PDB
PDBbind
192aa, >6DCZ_1|Chain... at 96%
6dzq
RCSB PDB
PDBbind
192aa, >6DZQ_1|Chain... at 96%
6e0q
RCSB PDB
PDBbind
192aa, >6E0Q_1|Chain... at 96%
6nem
RCSB PDB
PDBbind
241aa, >6NEM_1|Chain... at 100%
6nel
RCSB PDB
PDBbind
241aa, >6NEL_1|Chain... at 100%
6e6w
RCSB PDB
PDBbind
192aa, >6E6W_1|Chain... at 96%
6e6v
RCSB PDB
PDBbind
192aa, >6E6V_1|Chain... at 96%
6e4c
RCSB PDB
PDBbind
192aa, >6E4C_1|Chain... at 96%
6e3p
RCSB PDB
PDBbind
192aa, >6E3P_1|Chain... at 96%
6e3n
RCSB PDB
PDBbind
192aa, >6E3N_1|Chain... at 96%
6e3o
RCSB PDB
PDBbind
192aa, >6E3O_1|Chain... at 96%
5wa6
RCSB PDB
PDBbind
197aa, >5WA6_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6e3m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polymerase acidic protein
Ligand Name
HOG
EC.Number
E.C.-.-.-.-
Resolution
2.65(Å)
Affinity (Kd/Ki/IC50)
IC50=2.3nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 9438-9449
Ligand Properties
Formula
C
1
3
H
9
NO
6
Molecular Weight
275.214
Exact Mass
275.043
No. of atoms
29
No. of bonds
30
Polar Surface Area
127.95
LOGP Value
3.61 (
Computed with XLOGP3
)
1.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
OC(=O)c1cccc(c1)c1cc(O)c(c(n1)C(=O)O)O
InChI String
InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
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):
C3W5S0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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