Browse entries in the PDBbind-CN Database
HEADER 6GJJ_COMPLEX COMPND 6GJJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 MET VAL ASN PRO THR VAL PHE PHE ASP ILE ALA VAL ASP SEQRES 2 A 165 GLY GLU PRO LEU GLY ARG VAL SER PHE GLU LEU PHE ALA SEQRES 3 A 165 ASP LYS VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU SEQRES 4 A 165 SER THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER CYS SEQRES 5 A 165 PHE HIS ARG ILE ILE PRO GLY PHE MET CYS GLN GLY GLY SEQRES 6 A 165 ASP PHE THR ARG HIS ASN GLY THR GLY GLY LYS SER ILE SEQRES 7 A 165 TYR GLY GLU LYS PHE GLU ASP GLU ASN PHE ILE LEU LYS SEQRES 8 A 165 HIS THR GLY PRO GLY ILE LEU SER MET ALA ASN ALA GLY SEQRES 9 A 165 PRO ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ALA SEQRES 10 A 165 LYS THR GLU TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY SEQRES 11 A 165 LYS VAL LYS GLU GLY MET ASN ILE VAL GLU ALA MET GLU SEQRES 12 A 165 ARG PHE GLY SER ARG ASN GLY LYS THR SER LYS LYS ILE SEQRES 13 A 165 THR ILE ALA ASP CYS GLY GLN LEU GLU HET L A 36 41 ATOM 1 N MET A 1 -23.363 -1.375 -18.128 1.00 67.35 N ATOM 2 CA MET A 1 -23.229 -2.504 -17.159 1.00 68.45 C ATOM 3 C MET A 1 -21.771 -2.936 -17.015 1.00 64.87 C ATOM 4 O MET A 1 -21.307 -3.149 -15.902 1.00 61.37 O ATOM 5 CB MET A 1 -24.095 -3.700 -17.578 1.00 77.07 C ATOM 6 CG MET A 1 -24.215 -4.788 -16.514 1.00 87.57 C ATOM 7 SD MET A 1 -25.665 -5.851 -16.738 1.00 98.07 S ATOM 8 CE MET A 1 -25.576 -6.880 -15.271 1.00103.25 C ATOM 9 HN3 MET A 1 -23.011 -1.676 -19.059 1.00 0.00 H ATOM 10 HN2 MET A 1 -22.807 -0.563 -17.792 1.00 0.00 H ATOM 11 HN1 MET A 1 -24.364 -1.103 -18.205 1.00 0.00 H ATOM 12 N VAL A 2 -21.068 -3.087 -18.135 1.00 54.69 N ATOM 13 CA VAL A 2 -19.616 -3.367 -18.111 1.00 52.30 C ATOM 14 C VAL A 2 -18.810 -2.081 -17.832 1.00 40.36 C ATOM 15 O VAL A 2 -19.027 -1.044 -18.463 1.00 41.02 O ATOM 16 CB VAL A 2 -19.129 -4.084 -19.408 1.00 58.26 C ATOM 17 CG1 VAL A 2 -19.153 -3.160 -20.624 1.00 59.22 C ATOM 18 CG2 VAL A 2 -17.731 -4.674 -19.216 1.00 54.39 C ATOM 19 H VAL A 2 -21.553 -3.006 -19.052 1.00 0.00 H ATOM 20 N ASN A 3 -17.916 -2.135 -16.850 1.00 37.67 N ATOM 21 CA ASN A 3 -17.007 -1.009 -16.602 1.00 31.03 C ATOM 22 C ASN A 3 -16.231 -0.631 -17.894 1.00 30.68 C ATOM 23 O ASN A 3 -15.705 -1.537 -18.567 1.00 31.53 O ATOM 24 CB ASN A 3 -16.015 -1.357 -15.469 1.00 28.61 C ATOM 25 CG ASN A 3 -16.619 -1.201 -14.064 1.00 27.83 C ATOM 26 OD1 ASN A 3 -17.617 -0.500 -13.844 1.00 31.48 O ATOM 27 ND2 ASN A 3 -15.990 -1.844 -13.096 1.00 29.85 N ATOM 28 HD22 ASN A 3 -15.155 -2.424 -13.314 1.00 0.00 H ATOM 29 HD21 ASN A 3 -16.330 -1.770 -12.116 1.00 0.00 H ATOM 30 H ASN A 3 -17.860 -2.983 -16.251 1.00 0.00 H ATOM 31 N PRO A 4 -16.153 0.688 -18.231 1.00 27.92 N ATOM 32 CA PRO A 4 -15.431 1.119 -19.422 1.00 27.48 C ATOM 33 C PRO A 4 -13.899 0.994 -19.291 1.00 25.41 C ATOM 34 O PRO A 4 -13.357 0.939 -18.164 1.00 27.12 O ATOM 35 CB PRO A 4 -15.831 2.576 -19.583 1.00 30.58 C ATOM 36 CG PRO A 4 -16.317 3.047 -18.251 1.00 32.86 C ATOM 37 CD PRO A 4 -16.588 1.838 -17.401 1.00 27.79 C ATOM 38 N THR A 5 -13.265 0.882 -20.461 1.00 24.54 N ATOM 39 CA THR A 5 -11.797 0.791 -20.575 1.00 24.35 C ATOM 40 C THR A 5 -11.294 1.964 -21.410 1.00 24.70 C ATOM 41 O THR A 5 -11.854 2.234 -22.476 1.00 26.54 O ATOM 42 CB THR A 5 -11.392 -0.556 -21.289 1.00 28.32 C ATOM 43 OG1 THR A 5 -11.881 -1.694 -20.554 1.00 33.88 O ATOM 44 CG2 THR A 5 -9.876 -0.694 -21.407 1.00 31.13 C ATOM 45 HG1 THR A 5 -12.868 -1.648 -20.496 1.00 0.00 H ATOM 46 H THR A 5 -13.832 0.858 -21.332 1.00 0.00 H ATOM 47 N VAL A 6 -10.222 2.649 -20.946 1.00 22.87 N ATOM 48 CA VAL A 6 -9.626 3.726 -21.745 1.00 24.85 C ATOM 49 C VAL A 6 -8.115 3.423 -21.929 1.00 22.56 C ATOM 50 O VAL A 6 -7.560 2.622 -21.169 1.00 22.84 O ATOM 51 CB VAL A 6 -9.829 5.120 -21.140 1.00 26.37 C ATOM 52 CG1 VAL A 6 -11.286 5.545 -21.132 1.00 29.74 C ATOM 53 CG2 VAL A 6 -9.241 5.219 -19.787 1.00 29.67 C ATOM 54 H VAL A 6 -9.819 2.410 -20.018 1.00 0.00 H ATOM 55 N PHE A 7 -7.501 4.026 -22.942 1.00 22.23 N ATOM 56 CA PHE A 7 -6.024 3.832 -23.209 1.00 22.71 C ATOM 57 C PHE A 7 -5.341 5.167 -23.292 1.00 21.76 C ATOM 58 O PHE A 7 -5.912 6.150 -23.727 1.00 21.41 O ATOM 59 CB PHE A 7 -5.818 3.007 -24.539 1.00 24.90 C ATOM 60 CG PHE A 7 -6.074 3.816 -25.797 1.00 26.00 C ATOM 61 CD1 PHE A 7 -5.058 4.559 -26.407 1.00 27.36 C ATOM 62 CD2 PHE A 7 -7.358 3.864 -26.363 1.00 29.65 C ATOM 63 CE1 PHE A 7 -5.317 5.321 -27.531 1.00 29.92 C ATOM 64 CE2 PHE A 7 -7.600 4.623 -27.480 1.00 30.10 C ATOM 65 CZ PHE A 7 -6.590 5.352 -28.071 1.00 29.85 C ATOM 66 H PHE A 7 -8.051 4.648 -23.568 1.00 0.00 H ATOM 67 N PHE A 8 -4.034 5.121 -22.998 1.00 22.76 N ATOM 68 CA PHE A 8 -3.082 6.183 -23.250 1.00 21.90 C ATOM 69 C PHE A 8 -1.945 5.586 -24.101 1.00 21.23 C ATOM 70 O PHE A 8 -1.392 4.538 -23.734 1.00 23.90 O ATOM 71 CB PHE A 8 -2.382 6.707 -21.950 1.00 22.99 C ATOM 72 CG PHE A 8 -3.226 7.503 -20.975 1.00 21.40 C ATOM 73 CD1 PHE A 8 -4.542 7.935 -21.234 1.00 23.38 C ATOM 74 CD2 PHE A 8 -2.660 7.819 -19.719 1.00 21.33 C ATOM 75 CE1 PHE A 8 -5.217 8.683 -20.275 1.00 22.20 C ATOM 76 CE2 PHE A 8 -3.343 8.576 -18.782 1.00 21.60 C ATOM 77 CZ PHE A 8 -4.662 9.009 -19.071 1.00 20.73 C ATOM 78 H PHE A 8 -3.674 4.253 -22.553 1.00 0.00 H ATOM 79 N ASP A 9 -1.584 6.255 -25.195 1.00 21.79 N ATOM 80 CA ASP A 9 -0.337 5.962 -25.936 1.00 23.43 C ATOM 81 C ASP A 9 0.713 6.949 -25.462 1.00 21.43 C ATOM 82 O ASP A 9 0.566 8.164 -25.646 1.00 23.33 O ATOM 83 CB ASP A 9 -0.577 6.094 -27.448 1.00 24.48 C ATOM 84 CG ASP A 9 -1.380 4.917 -28.007 1.00 30.37 C ATOM 85 OD1 ASP A 9 -1.357 3.799 -27.414 1.00 29.75 O ATOM 86 OD2 ASP A 9 -2.039 5.083 -29.049 1.00 37.01 O ATOM 87 H ASP A 9 -2.204 7.014 -25.543 1.00 0.00 H ATOM 88 N ILE A 10 1.800 6.419 -24.885 1.00 22.12 N ATOM 89 CA ILE A 10 2.839 7.216 -24.231 1.00 22.78 C ATOM 90 C ILE A 10 4.025 7.409 -25.150 1.00 22.49 C ATOM 91 O ILE A 10 4.428 6.475 -25.859 1.00 25.48 O ATOM 92 CB ILE A 10 3.304 6.543 -22.905 1.00 22.44 C ATOM 93 CG1 ILE A 10 2.076 6.286 -21.976 1.00 22.82 C ATOM 94 CG2 ILE A 10 4.423 7.303 -22.177 1.00 23.04 C ATOM 95 CD1 ILE A 10 1.437 7.516 -21.390 1.00 23.38 C ATOM 96 H ILE A 10 1.912 5.385 -24.903 1.00 0.00 H ATOM 97 N ALA A 11 4.561 8.626 -25.114 1.00 23.41 N ATOM 98 CA ALA A 11 5.815 8.944 -25.812 1.00 24.04 C ATOM 99 C ALA A 11 6.856 9.539 -24.862 1.00 23.07 C ATOM 100 O ALA A 11 6.519 10.190 -23.861 1.00 24.69 O ATOM 101 CB ALA A 11 5.530 9.883 -26.983 1.00 27.10 C ATOM 102 H ALA A 11 4.079 9.374 -24.576 1.00 0.00 H ATOM 103 N VAL A 12 8.144 9.387 -25.246 1.00 23.96 N ATOM 104 CA VAL A 12 9.303 9.892 -24.485 1.00 26.23 C ATOM 105 C VAL A 12 10.133 10.763 -25.419 1.00 26.86 C ATOM 106 O VAL A 12 10.663 10.245 -26.428 1.00 28.17 O ATOM 107 CB VAL A 12 10.144 8.719 -23.982 1.00 26.72 C ATOM 108 CG1 VAL A 12 11.412 9.199 -23.261 1.00 28.49 C ATOM 109 CG2 VAL A 12 9.308 7.808 -23.088 1.00 27.96 C ATOM 110 H VAL A 12 8.330 8.881 -26.136 1.00 0.00 H ATOM 111 N ASP A 13 10.195 12.076 -25.135 1.00 25.44 N ATOM 112 CA ASP A 13 10.778 13.069 -26.058 1.00 30.02 C ATOM 113 C ASP A 13 10.265 12.853 -27.507 1.00 33.03 C ATOM 114 O ASP A 13 11.032 12.900 -28.489 1.00 35.37 O ATOM 115 CB ASP A 13 12.351 13.071 -26.013 1.00 33.35 C ATOM 116 CG ASP A 13 12.929 13.799 -24.809 1.00 37.31 C ATOM 117 OD1 ASP A 13 12.205 14.508 -24.072 1.00 33.65 O ATOM 118 OD2 ASP A 13 14.169 13.686 -24.629 1.00 53.81 O ATOM 119 H ASP A 13 9.815 12.406 -24.225 1.00 0.00 H ATOM 120 N GLY A 14 8.952 12.623 -27.628 1.00 30.71 N ATOM 121 CA GLY A 14 8.291 12.478 -28.919 1.00 32.48 C ATOM 122 C GLY A 14 8.367 11.104 -29.556 1.00 32.03 C ATOM 123 O GLY A 14 7.712 10.877 -30.566 1.00 39.19 O ATOM 124 H GLY A 14 8.379 12.544 -26.764 1.00 0.00 H ATOM 125 N GLU A 15 9.153 10.189 -28.979 1.00 30.54 N ATOM 126 CA GLU A 15 9.364 8.846 -29.539 1.00 32.28 C ATOM 127 C GLU A 15 8.385 7.854 -28.860 1.00 29.60 C ATOM 128 O GLU A 15 8.298 7.795 -27.623 1.00 28.57 O ATOM 129 CB GLU A 15 10.832 8.390 -29.338 1.00 36.95 C ATOM 130 CG GLU A 15 11.866 9.272 -30.036 1.00 48.26 C ATOM 131 CD GLU A 15 11.826 9.204 -31.571 1.00 64.00 C ATOM 132 OE1 GLU A 15 11.059 8.387 -32.152 1.00 66.22 O ATOM 133 OE2 GLU A 15 12.584 9.982 -32.209 1.00 75.78 O ATOM 134 H GLU A 15 9.637 10.439 -28.093 1.00 0.00 H ATOM 135 N PRO A 16 7.649 7.067 -29.650 1.00 28.01 N ATOM 136 CA PRO A 16 6.655 6.165 -29.049 1.00 28.09 C ATOM 137 C PRO A 16 7.266 5.111 -28.088 1.00 28.65 C ATOM 138 O PRO A 16 8.314 4.543 -28.391 1.00 28.67 O ATOM 139 CB PRO A 16 6.009 5.494 -30.286 1.00 32.06 C ATOM 140 CG PRO A 16 6.288 6.410 -31.430 1.00 38.17 C ATOM 141 CD PRO A 16 7.615 7.037 -31.131 1.00 34.98 C ATOM 142 N LEU A 17 6.643 4.896 -26.929 1.00 24.03 N ATOM 143 CA LEU A 17 7.054 3.936 -25.887 1.00 23.83 C ATOM 144 C LEU A 17 6.121 2.725 -25.856 1.00 24.41 C ATOM 145 O LEU A 17 6.561 1.566 -26.007 1.00 28.34 O ATOM 146 CB LEU A 17 7.110 4.611 -24.494 1.00 25.53 C ATOM 147 CG LEU A 17 7.517 3.735 -23.283 1.00 24.71 C ATOM 148 CD1 LEU A 17 8.969 3.254 -23.426 1.00 27.15 C ATOM 149 CD2 LEU A 17 7.370 4.459 -21.955 1.00 23.98 C ATOM 150 H LEU A 17 5.788 5.457 -26.742 1.00 0.00 H ATOM 151 N GLY A 18 4.820 2.963 -25.625 1.00 23.76 N ATOM 152 CA GLY A 18 3.886 1.873 -25.602 1.00 22.18 C ATOM 153 C GLY A 18 2.531 2.374 -25.131 1.00 21.66 C ATOM 154 O GLY A 18 2.358 3.582 -24.914 1.00 24.03 O ATOM 155 H GLY A 18 4.489 3.936 -25.463 1.00 0.00 H ATOM 156 N ARG A 19 1.608 1.443 -24.930 1.00 21.98 N ATOM 157 CA ARG A 19 0.214 1.773 -24.509 1.00 20.18 C ATOM 158 C ARG A 19 -0.065 1.278 -23.088 1.00 23.02 C ATOM 159 O ARG A 19 0.314 0.137 -22.746 1.00 22.71 O ATOM 160 CB ARG A 19 -0.783 1.138 -25.491 1.00 22.85 C ATOM 161 CG ARG A 19 -2.264 1.267 -25.097 1.00 24.18 C ATOM 162 CD ARG A 19 -3.151 0.768 -26.255 1.00 24.99 C ATOM 163 NE ARG A 19 -3.205 1.718 -27.365 1.00 27.05 N ATOM 164 CZ ARG A 19 -4.065 1.653 -28.393 1.00 25.61 C ATOM 165 NH1 ARG A 19 -4.063 2.608 -29.347 1.00 29.38 N ATOM 166 NH2 ARG A 19 -4.975 0.695 -28.427 1.00 30.08 N ATOM 167 HE ARG A 19 -2.525 2.505 -27.357 1.00 0.00 H ATOM 168 HH12 ARG A 19 -4.732 2.551 -30.141 1.00 0.00 H ATOM 169 HH11 ARG A 19 -3.392 3.400 -29.288 1.00 0.00 H ATOM 170 HH22 ARG A 19 -5.644 0.641 -29.222 1.00 0.00 H ATOM 171 HH21 ARG A 19 -5.022 -0.005 -27.659 1.00 0.00 H ATOM 172 H ARG A 19 1.865 0.445 -25.071 1.00 0.00 H ATOM 173 N VAL A 20 -0.776 2.101 -22.284 1.00 24.00 N ATOM 174 CA VAL A 20 -1.284 1.706 -20.980 1.00 21.74 C ATOM 175 C VAL A 20 -2.836 1.754 -21.096 1.00 20.54 C ATOM 176 O VAL A 20 -3.365 2.711 -21.636 1.00 24.97 O ATOM 177 CB VAL A 20 -0.820 2.667 -19.842 1.00 21.83 C ATOM 178 CG1 VAL A 20 -1.312 2.167 -18.478 1.00 23.07 C ATOM 179 CG2 VAL A 20 0.721 2.833 -19.818 1.00 23.73 C ATOM 180 H VAL A 20 -0.970 3.067 -22.616 1.00 0.00 H ATOM 181 N SER A 21 -3.523 0.742 -20.609 1.00 22.47 N ATOM 182 CA SER A 21 -5.003 0.764 -20.592 1.00 23.58 C ATOM 183 C SER A 21 -5.497 0.586 -19.140 1.00 24.33 C ATOM 184 O SER A 21 -4.809 0.007 -18.267 1.00 26.09 O ATOM 185 CB SER A 21 -5.555 -0.274 -21.566 1.00 32.01 C ATOM 186 OG SER A 21 -5.464 -1.537 -21.004 1.00 31.49 O ATOM 187 HG SER A 21 -5.823 -2.206 -21.639 1.00 0.00 H ATOM 188 H SER A 21 -3.018 -0.085 -20.231 1.00 0.00 H ATOM 189 N PHE A 22 -6.676 1.133 -18.864 1.00 22.31 N ATOM 190 CA PHE A 22 -7.222 1.221 -17.497 1.00 22.93 C ATOM 191 C PHE A 22 -8.671 0.727 -17.466 1.00 21.80 C ATOM 192 O PHE A 22 -9.449 1.096 -18.362 1.00 23.70 O ATOM 193 CB PHE A 22 -7.271 2.694 -16.988 1.00 22.44 C ATOM 194 CG PHE A 22 -5.951 3.438 -17.104 1.00 20.02 C ATOM 195 CD1 PHE A 22 -5.005 3.378 -16.082 1.00 22.89 C ATOM 196 CD2 PHE A 22 -5.705 4.250 -18.202 1.00 21.76 C ATOM 197 CE1 PHE A 22 -3.800 4.079 -16.186 1.00 22.61 C ATOM 198 CE2 PHE A 22 -4.497 4.949 -18.313 1.00 23.30 C ATOM 199 CZ PHE A 22 -3.567 4.891 -17.289 1.00 22.64 C ATOM 200 H PHE A 22 -7.240 1.517 -19.649 1.00 0.00 H ATOM 201 N GLU A 23 -9.014 -0.068 -16.444 1.00 21.38 N ATOM 202 CA GLU A 23 -10.443 -0.285 -16.057 1.00 22.70 C ATOM 203 C GLU A 23 -10.887 0.871 -15.154 1.00 21.54 C ATOM 204 O GLU A 23 -10.201 1.221 -14.191 1.00 23.22 O ATOM 205 CB GLU A 23 -10.626 -1.600 -15.281 1.00 26.32 C ATOM 206 CG GLU A 23 -12.100 -1.929 -14.919 1.00 27.60 C ATOM 207 CD GLU A 23 -12.297 -3.206 -14.087 1.00 31.03 C ATOM 208 OE1 GLU A 23 -11.322 -3.980 -13.879 1.00 34.87 O ATOM 209 OE2 GLU A 23 -13.452 -3.464 -13.634 1.00 36.50 O ATOM 210 H GLU A 23 -8.266 -0.548 -15.904 1.00 0.00 H ATOM 211 N LEU A 24 -12.048 1.461 -15.458 1.00 21.84 N ATOM 212 CA LEU A 24 -12.630 2.496 -14.617 1.00 21.43 C ATOM 213 C LEU A 24 -13.816 1.943 -13.849 1.00 22.61 C ATOM 214 O LEU A 24 -14.730 1.360 -14.457 1.00 24.17 O ATOM 215 CB LEU A 24 -13.041 3.749 -15.435 1.00 22.03 C ATOM 216 CG LEU A 24 -12.046 4.301 -16.442 1.00 21.23 C ATOM 217 CD1 LEU A 24 -12.570 5.492 -17.227 1.00 25.00 C ATOM 218 CD2 LEU A 24 -10.735 4.608 -15.713 1.00 22.42 C ATOM 219 H LEU A 24 -12.550 1.171 -16.322 1.00 0.00 H ATOM 220 N PHE A 25 -13.806 2.151 -12.524 1.00 22.34 N ATOM 221 CA PHE A 25 -14.797 1.510 -11.627 1.00 23.67 C ATOM 222 C PHE A 25 -16.123 2.274 -11.569 1.00 25.20 C ATOM 223 O PHE A 25 -16.505 2.830 -10.526 1.00 25.17 O ATOM 224 CB PHE A 25 -14.234 1.283 -10.214 1.00 24.41 C ATOM 225 CG PHE A 25 -12.954 0.465 -10.198 1.00 26.47 C ATOM 226 CD1 PHE A 25 -12.841 -0.712 -10.936 1.00 30.26 C ATOM 227 CD2 PHE A 25 -11.848 0.889 -9.447 1.00 27.90 C ATOM 228 CE1 PHE A 25 -11.651 -1.453 -10.907 1.00 35.76 C ATOM 229 CE2 PHE A 25 -10.689 0.139 -9.401 1.00 30.39 C ATOM 230 CZ PHE A 25 -10.596 -1.023 -10.127 1.00 29.92 C ATOM 231 H PHE A 25 -13.084 2.778 -12.115 1.00 0.00 H ATOM 232 N ALA A 26 -16.794 2.352 -12.712 1.00 25.16 N ATOM 233 CA ALA A 26 -18.072 3.100 -12.818 1.00 26.05 C ATOM 234 C ALA A 26 -19.158 2.518 -11.932 1.00 26.39 C ATOM 235 O ALA A 26 -20.056 3.263 -11.485 1.00 28.42 O ATOM 236 CB ALA A 26 -18.541 3.140 -14.250 1.00 29.86 C ATOM 237 H ALA A 26 -16.414 1.877 -13.555 1.00 0.00 H ATOM 238 N ASP A 27 -19.049 1.227 -11.640 1.00 24.54 N ATOM 239 CA ASP A 27 -19.996 0.541 -10.695 1.00 29.82 C ATOM 240 C ASP A 27 -19.940 1.104 -9.235 1.00 30.24 C ATOM 241 O ASP A 27 -20.930 1.121 -8.517 1.00 39.38 O ATOM 242 CB ASP A 27 -19.833 -1.003 -10.735 1.00 34.13 C ATOM 243 CG ASP A 27 -18.376 -1.500 -10.430 1.00 35.64 C ATOM 244 OD1 ASP A 27 -17.393 -0.737 -10.449 1.00 33.68 O ATOM 245 OD2 ASP A 27 -18.212 -2.712 -10.180 1.00 48.36 O ATOM 246 H ASP A 27 -18.285 0.674 -12.078 1.00 0.00 H ATOM 247 N LYS A 28 -18.752 1.564 -8.823 1.00 25.72 N ATOM 248 CA LYS A 28 -18.508 2.132 -7.469 1.00 25.76 C ATOM 249 C LYS A 28 -18.400 3.665 -7.352 1.00 23.68 C ATOM 250 O LYS A 28 -18.835 4.224 -6.344 1.00 23.21 O ATOM 251 CB LYS A 28 -17.259 1.455 -6.859 1.00 32.97 C ATOM 252 CG LYS A 28 -17.347 -0.069 -6.967 1.00 41.51 C ATOM 253 CD LYS A 28 -16.870 -0.804 -5.745 1.00 46.90 C ATOM 254 CE LYS A 28 -17.284 -2.270 -5.780 1.00 52.94 C ATOM 255 NZ LYS A 28 -16.594 -3.014 -6.867 1.00 61.32 N ATOM 256 HZ1 LYS A 28 -16.832 -2.585 -7.784 1.00 0.00 H ATOM 257 HZ2 LYS A 28 -15.566 -2.968 -6.718 1.00 0.00 H ATOM 258 HZ3 LYS A 28 -16.903 -4.007 -6.856 1.00 0.00 H ATOM 259 H LYS A 28 -17.953 1.522 -9.488 1.00 0.00 H ATOM 260 N VAL A 29 -17.824 4.345 -8.362 1.00 20.40 N ATOM 261 CA VAL A 29 -17.596 5.820 -8.359 1.00 20.10 C ATOM 262 C VAL A 29 -17.962 6.333 -9.737 1.00 20.03 C ATOM 263 O VAL A 29 -17.129 6.734 -10.545 1.00 19.30 O ATOM 264 CB VAL A 29 -16.110 6.208 -7.971 1.00 22.55 C ATOM 265 CG1 VAL A 29 -15.827 5.984 -6.514 1.00 26.05 C ATOM 266 CG2 VAL A 29 -15.118 5.469 -8.786 1.00 26.34 C ATOM 267 H VAL A 29 -17.518 3.807 -9.198 1.00 0.00 H ATOM 268 N PRO A 30 -19.283 6.311 -10.067 1.00 22.21 N ATOM 269 CA PRO A 30 -19.677 6.681 -11.412 1.00 22.34 C ATOM 270 C PRO A 30 -19.341 8.096 -11.851 1.00 20.82 C ATOM 271 O PRO A 30 -18.939 8.301 -13.023 1.00 23.19 O ATOM 272 CB PRO A 30 -21.210 6.416 -11.419 1.00 23.00 C ATOM 273 CG PRO A 30 -21.597 6.366 -9.983 1.00 24.75 C ATOM 274 CD PRO A 30 -20.417 5.799 -9.260 1.00 23.34 C ATOM 275 N LYS A 31 -19.473 9.075 -10.930 1.00 20.65 N ATOM 276 CA LYS A 31 -19.230 10.464 -11.289 1.00 20.81 C ATOM 277 C LYS A 31 -17.736 10.670 -11.625 1.00 20.30 C ATOM 278 O LYS A 31 -17.384 11.360 -12.597 1.00 20.51 O ATOM 279 CB LYS A 31 -19.700 11.415 -10.186 1.00 22.23 C ATOM 280 CG LYS A 31 -19.685 12.874 -10.600 1.00 21.99 C ATOM 281 CD LYS A 31 -20.350 13.791 -9.578 1.00 25.95 C ATOM 282 CE LYS A 31 -20.233 15.287 -9.916 1.00 26.86 C ATOM 283 NZ LYS A 31 -21.119 16.152 -9.074 1.00 31.23 N ATOM 284 HZ1 LYS A 31 -22.111 15.873 -9.217 1.00 0.00 H ATOM 285 HZ2 LYS A 31 -20.866 16.035 -8.072 1.00 0.00 H ATOM 286 HZ3 LYS A 31 -20.994 17.147 -9.350 1.00 0.00 H ATOM 287 H LYS A 31 -19.750 8.834 -9.957 1.00 0.00 H ATOM 288 N THR A 32 -16.883 10.105 -10.803 1.00 19.58 N ATOM 289 CA THR A 32 -15.390 10.277 -10.972 1.00 19.17 C ATOM 290 C THR A 32 -14.891 9.478 -12.186 1.00 19.21 C ATOM 291 O THR A 32 -14.060 9.985 -12.981 1.00 19.36 O ATOM 292 CB THR A 32 -14.732 9.786 -9.672 1.00 18.72 C ATOM 293 OG1 THR A 32 -15.294 10.428 -8.530 1.00 19.49 O ATOM 294 CG2 THR A 32 -13.196 10.093 -9.669 1.00 18.56 C ATOM 295 HG1 THR A 32 -16.263 10.231 -8.486 1.00 0.00 H ATOM 296 H THR A 32 -17.242 9.526 -10.017 1.00 0.00 H ATOM 297 N ALA A 33 -15.410 8.268 -12.384 1.00 19.38 N ATOM 298 CA ALA A 33 -15.077 7.470 -13.591 1.00 18.79 C ATOM 299 C ALA A 33 -15.484 8.219 -14.875 1.00 19.74 C ATOM 300 O ALA A 33 -14.711 8.261 -15.853 1.00 20.50 O ATOM 301 CB ALA A 33 -15.718 6.092 -13.536 1.00 20.34 C ATOM 302 H ALA A 33 -16.063 7.873 -11.678 1.00 0.00 H ATOM 303 N GLU A 34 -16.724 8.754 -14.889 1.00 20.75 N ATOM 304 CA GLU A 34 -17.190 9.497 -16.066 1.00 21.81 C ATOM 305 C GLU A 34 -16.300 10.704 -16.457 1.00 19.98 C ATOM 306 O GLU A 34 -16.083 10.965 -17.640 1.00 20.92 O ATOM 307 CB GLU A 34 -18.670 9.876 -15.920 1.00 23.43 C ATOM 308 CG GLU A 34 -19.226 10.771 -17.054 1.00 24.54 C ATOM 309 CD GLU A 34 -19.254 10.099 -18.405 1.00 22.94 C ATOM 310 OE1 GLU A 34 -19.113 8.855 -18.502 1.00 25.75 O ATOM 311 OE2 GLU A 34 -19.480 10.829 -19.397 1.00 29.37 O ATOM 312 H GLU A 34 -17.349 8.640 -14.066 1.00 0.00 H ATOM 313 N ASN A 35 -15.843 11.470 -15.464 1.00 19.24 N ATOM 314 CA ASN A 35 -14.933 12.573 -15.719 1.00 19.30 C ATOM 315 C ASN A 35 -13.668 12.095 -16.467 1.00 20.06 C ATOM 316 O ASN A 35 -13.293 12.661 -17.487 1.00 19.83 O ATOM 317 CB ASN A 35 -14.526 13.250 -14.371 1.00 20.30 C ATOM 318 CG ASN A 35 -13.634 14.482 -14.538 1.00 17.76 C ATOM 319 OD1 ASN A 35 -13.941 15.473 -15.209 1.00 19.90 O ATOM 320 ND2 ASN A 35 -12.455 14.438 -13.836 1.00 18.89 N ATOM 321 HD22 ASN A 35 -12.214 13.595 -13.277 1.00 0.00 H ATOM 322 HD21 ASN A 35 -11.803 15.248 -13.863 1.00 0.00 H ATOM 323 H ASN A 35 -16.144 11.273 -14.488 1.00 0.00 H ATOM 324 N PHE A 36 -13.040 11.064 -15.928 1.00 19.58 N ATOM 325 CA PHE A 36 -11.761 10.563 -16.539 1.00 19.56 C ATOM 326 C PHE A 36 -12.007 9.967 -17.950 1.00 19.96 C ATOM 327 O PHE A 36 -11.257 10.237 -18.892 1.00 19.83 O ATOM 328 CB PHE A 36 -11.090 9.586 -15.602 1.00 20.02 C ATOM 329 CG PHE A 36 -9.722 9.116 -16.061 1.00 19.02 C ATOM 330 CD1 PHE A 36 -9.576 8.009 -16.888 1.00 19.63 C ATOM 331 CD2 PHE A 36 -8.568 9.749 -15.568 1.00 19.08 C ATOM 332 CE1 PHE A 36 -8.307 7.538 -17.224 1.00 21.94 C ATOM 333 CE2 PHE A 36 -7.296 9.295 -15.942 1.00 19.64 C ATOM 334 CZ PHE A 36 -7.184 8.175 -16.740 1.00 22.00 C ATOM 335 H PHE A 36 -13.430 10.600 -15.083 1.00 0.00 H ATOM 336 N ARG A 37 -13.148 9.286 -18.136 1.00 20.64 N ATOM 337 CA ARG A 37 -13.496 8.698 -19.441 1.00 19.82 C ATOM 338 C ARG A 37 -13.644 9.815 -20.507 1.00 21.11 C ATOM 339 O ARG A 37 -13.079 9.722 -21.612 1.00 22.32 O ATOM 340 CB ARG A 37 -14.816 7.933 -19.366 1.00 22.63 C ATOM 341 CG ARG A 37 -15.143 7.140 -20.647 1.00 22.15 C ATOM 342 CD ARG A 37 -16.626 6.685 -20.688 1.00 23.32 C ATOM 343 NE ARG A 37 -17.512 7.843 -20.778 1.00 23.59 N ATOM 344 CZ ARG A 37 -17.637 8.617 -21.865 1.00 25.28 C ATOM 345 NH1 ARG A 37 -17.086 8.281 -23.033 1.00 29.01 N ATOM 346 NH2 ARG A 37 -18.349 9.720 -21.823 1.00 27.37 N ATOM 347 HE ARG A 37 -18.084 8.083 -19.943 1.00 0.00 H ATOM 348 HH12 ARG A 37 -17.200 8.902 -23.860 1.00 0.00 H ATOM 349 HH11 ARG A 37 -16.543 7.398 -23.117 1.00 0.00 H ATOM 350 HH22 ARG A 37 -18.439 10.313 -22.672 1.00 0.00 H ATOM 351 HH21 ARG A 37 -18.822 10.000 -20.940 1.00 0.00 H ATOM 352 H ARG A 37 -13.804 9.170 -17.338 1.00 0.00 H ATOM 353 N ALA A 38 -14.448 10.846 -20.175 1.00 21.91 N ATOM 354 CA ALA A 38 -14.717 11.958 -21.101 1.00 22.46 C ATOM 355 C ALA A 38 -13.448 12.793 -21.407 1.00 21.87 C ATOM 356 O ALA A 38 -13.280 13.249 -22.535 1.00 23.07 O ATOM 357 CB ALA A 38 -15.886 12.820 -20.635 1.00 22.93 C ATOM 358 H ALA A 38 -14.892 10.855 -19.235 1.00 0.00 H ATOM 359 N LEU A 39 -12.587 13.008 -20.401 1.00 19.84 N ATOM 360 CA LEU A 39 -11.313 13.699 -20.652 1.00 20.16 C ATOM 361 C LEU A 39 -10.374 12.891 -21.545 1.00 21.21 C ATOM 362 O LEU A 39 -9.585 13.501 -22.294 1.00 21.83 O ATOM 363 CB LEU A 39 -10.648 14.101 -19.339 1.00 20.13 C ATOM 364 CG LEU A 39 -11.395 15.128 -18.461 1.00 19.51 C ATOM 365 CD1 LEU A 39 -10.783 15.218 -17.066 1.00 20.29 C ATOM 366 CD2 LEU A 39 -11.509 16.510 -19.107 1.00 21.71 C ATOM 367 H LEU A 39 -12.821 12.685 -19.441 1.00 0.00 H ATOM 368 N SER A 40 -10.476 11.565 -21.489 1.00 20.15 N ATOM 369 CA SER A 40 -9.711 10.627 -22.342 1.00 21.02 C ATOM 370 C SER A 40 -10.190 10.627 -23.796 1.00 23.81 C ATOM 371 O SER A 40 -9.371 10.543 -24.708 1.00 23.59 O ATOM 372 CB SER A 40 -9.659 9.223 -21.722 1.00 21.21 C ATOM 373 OG SER A 40 -8.977 9.254 -20.451 1.00 21.98 O ATOM 374 HG SER A 40 -9.459 9.860 -19.834 1.00 0.00 H ATOM 375 H SER A 40 -11.139 11.160 -20.798 1.00 0.00 H ATOM 376 N THR A 41 -11.518 10.720 -24.024 1.00 25.45 N ATOM 377 CA THR A 41 -12.033 10.791 -25.395 1.00 24.32 C ATOM 378 C THR A 41 -11.937 12.176 -26.008 1.00 24.87 C ATOM 379 O THR A 41 -11.857 12.315 -27.236 1.00 30.33 O ATOM 380 CB THR A 41 -13.511 10.321 -25.520 1.00 23.91 C ATOM 381 OG1 THR A 41 -14.349 11.259 -24.858 1.00 26.12 O ATOM 382 CG2 THR A 41 -13.648 8.896 -24.980 1.00 26.02 C ATOM 383 HG1 THR A 41 -15.292 10.967 -24.933 1.00 0.00 H ATOM 384 H THR A 41 -12.180 10.741 -23.222 1.00 0.00 H ATOM 385 N GLY A 42 -11.942 13.200 -25.148 1.00 24.69 N ATOM 386 CA GLY A 42 -11.974 14.595 -25.554 1.00 26.55 C ATOM 387 C GLY A 42 -13.332 15.093 -26.023 1.00 27.22 C ATOM 388 O GLY A 42 -13.412 16.187 -26.572 1.00 30.51 O ATOM 389 H GLY A 42 -11.922 12.986 -24.130 1.00 0.00 H ATOM 390 N GLU A 43 -14.397 14.336 -25.750 1.00 29.21 N ATOM 391 CA GLU A 43 -15.731 14.600 -26.340 1.00 30.91 C ATOM 392 C GLU A 43 -16.409 15.913 -25.909 1.00 31.54 C ATOM 393 O GLU A 43 -17.336 16.390 -26.606 1.00 33.56 O ATOM 394 CB GLU A 43 -16.645 13.390 -26.116 1.00 32.49 C ATOM 395 CG GLU A 43 -17.052 13.159 -24.654 1.00 29.50 C ATOM 396 CD GLU A 43 -17.648 11.791 -24.456 1.00 30.44 C ATOM 397 OE1 GLU A 43 -16.970 10.792 -24.703 1.00 31.34 O ATOM 398 OE2 GLU A 43 -18.855 11.691 -24.101 1.00 33.59 O ATOM 399 H GLU A 43 -14.287 13.532 -25.100 1.00 0.00 H ATOM 400 N LYS A 44 -15.952 16.504 -24.796 1.00 24.90 N ATOM 401 CA LYS A 44 -16.415 17.840 -24.361 1.00 29.64 C ATOM 402 C LYS A 44 -15.655 19.034 -24.991 1.00 30.67 C ATOM 403 O LYS A 44 -16.007 20.168 -24.752 1.00 33.93 O ATOM 404 CB LYS A 44 -16.411 18.004 -22.828 1.00 31.48 C ATOM 405 CG LYS A 44 -17.034 16.894 -22.007 1.00 31.20 C ATOM 406 CD LYS A 44 -18.520 16.733 -22.257 1.00 30.19 C ATOM 407 CE LYS A 44 -19.063 15.617 -21.380 1.00 34.25 C ATOM 408 NZ LYS A 44 -20.537 15.467 -21.549 1.00 37.33 N ATOM 409 HZ1 LYS A 44 -21.007 16.356 -21.285 1.00 0.00 H ATOM 410 HZ2 LYS A 44 -20.750 15.243 -22.542 1.00 0.00 H ATOM 411 HZ3 LYS A 44 -20.878 14.698 -20.938 1.00 0.00 H ATOM 412 H LYS A 44 -15.246 16.005 -24.217 1.00 0.00 H ATOM 413 N GLY A 45 -14.615 18.771 -25.789 1.00 31.95 N ATOM 414 CA GLY A 45 -13.808 19.839 -26.415 1.00 31.77 C ATOM 415 C GLY A 45 -12.489 20.144 -25.709 1.00 29.89 C ATOM 416 O GLY A 45 -11.755 21.060 -26.140 1.00 31.90 O ATOM 417 H GLY A 45 -14.365 17.779 -25.976 1.00 0.00 H ATOM 418 N PHE A 46 -12.178 19.384 -24.655 1.00 26.19 N ATOM 419 CA PHE A 46 -10.915 19.520 -23.887 1.00 23.73 C ATOM 420 C PHE A 46 -10.568 18.180 -23.211 1.00 23.74 C ATOM 421 O PHE A 46 -11.408 17.313 -23.065 1.00 24.16 O ATOM 422 CB PHE A 46 -11.003 20.687 -22.890 1.00 26.35 C ATOM 423 CG PHE A 46 -12.184 20.601 -21.927 1.00 26.49 C ATOM 424 CD1 PHE A 46 -12.087 19.894 -20.729 1.00 27.35 C ATOM 425 CD2 PHE A 46 -13.405 21.202 -22.258 1.00 27.94 C ATOM 426 CE1 PHE A 46 -13.177 19.802 -19.854 1.00 30.85 C ATOM 427 CE2 PHE A 46 -14.480 21.116 -21.384 1.00 27.33 C ATOM 428 CZ PHE A 46 -14.380 20.394 -20.195 1.00 28.48 C ATOM 429 H PHE A 46 -12.859 18.657 -24.356 1.00 0.00 H ATOM 430 N GLY A 47 -9.310 18.005 -22.789 1.00 21.58 N ATOM 431 CA GLY A 47 -8.918 16.760 -22.186 1.00 20.84 C ATOM 432 C GLY A 47 -7.409 16.459 -22.265 1.00 19.61 C ATOM 433 O GLY A 47 -6.588 17.395 -22.502 1.00 22.02 O ATOM 434 H GLY A 47 -8.615 18.771 -22.897 1.00 0.00 H ATOM 435 N TYR A 48 -7.095 15.172 -22.061 1.00 20.68 N ATOM 436 CA TYR A 48 -5.722 14.736 -21.778 1.00 18.98 C ATOM 437 C TYR A 48 -4.796 14.648 -23.002 1.00 21.74 C ATOM 438 O TYR A 48 -3.559 14.656 -22.815 1.00 22.15 O ATOM 439 CB TYR A 48 -5.750 13.360 -21.078 1.00 20.80 C ATOM 440 CG TYR A 48 -6.416 13.309 -19.703 1.00 18.99 C ATOM 441 CD1 TYR A 48 -6.140 14.278 -18.719 1.00 19.78 C ATOM 442 CD2 TYR A 48 -7.283 12.278 -19.360 1.00 19.95 C ATOM 443 CE1 TYR A 48 -6.702 14.230 -17.442 1.00 21.91 C ATOM 444 CE2 TYR A 48 -7.854 12.217 -18.080 1.00 19.54 C ATOM 445 CZ TYR A 48 -7.561 13.167 -17.118 1.00 18.94 C ATOM 446 OH TYR A 48 -8.156 13.082 -15.878 1.00 19.48 O ATOM 447 HH TYR A 48 -7.843 13.831 -15.311 1.00 0.00 H ATOM 448 H TYR A 48 -7.850 14.458 -22.105 1.00 0.00 H ATOM 449 N LYS A 49 -5.317 14.524 -24.239 1.00 21.82 N ATOM 450 CA LYS A 49 -4.429 14.336 -25.426 1.00 23.08 C ATOM 451 C LYS A 49 -3.435 15.482 -25.538 1.00 22.75 C ATOM 452 O LYS A 49 -3.799 16.649 -25.533 1.00 25.57 O ATOM 453 CB LYS A 49 -5.237 14.193 -26.738 1.00 25.23 C ATOM 454 CG LYS A 49 -4.389 13.845 -27.969 1.00 26.28 C ATOM 455 CD LYS A 49 -5.227 13.604 -29.239 1.00 33.74 C ATOM 456 CE LYS A 49 -4.353 13.261 -30.446 1.00 39.06 C ATOM 457 NZ LYS A 49 -5.211 12.858 -31.598 1.00 46.13 N ATOM 458 HZ1 LYS A 49 -5.774 12.024 -31.334 1.00 0.00 H ATOM 459 HZ2 LYS A 49 -5.847 13.643 -31.847 1.00 0.00 H ATOM 460 HZ3 LYS A 49 -4.608 12.627 -32.413 1.00 0.00 H ATOM 461 H LYS A 49 -6.348 14.560 -24.369 1.00 0.00 H ATOM 462 N GLY A 50 -2.134 15.128 -25.582 1.00 23.19 N ATOM 463 CA GLY A 50 -1.071 16.109 -25.748 1.00 24.63 C ATOM 464 C GLY A 50 -0.453 16.593 -24.432 1.00 26.98 C ATOM 465 O GLY A 50 0.551 17.271 -24.458 1.00 30.52 O ATOM 466 H GLY A 50 -1.882 14.123 -25.495 1.00 0.00 H ATOM 467 N SER A 51 -1.037 16.227 -23.280 1.00 24.03 N ATOM 468 CA SER A 51 -0.568 16.667 -21.948 1.00 23.89 C ATOM 469 C SER A 51 0.596 15.756 -21.460 1.00 21.15 C ATOM 470 O SER A 51 0.829 14.670 -22.030 1.00 21.87 O ATOM 471 CB SER A 51 -1.751 16.716 -20.958 1.00 23.98 C ATOM 472 OG SER A 51 -2.223 15.416 -20.609 1.00 22.86 O ATOM 473 HG SER A 51 -2.527 14.946 -21.426 1.00 0.00 H ATOM 474 H SER A 51 -1.865 15.599 -23.327 1.00 0.00 H ATOM 475 N CYS A 52 1.304 16.202 -20.419 1.00 23.39 N ATOM 476 CA CYS A 52 2.442 15.395 -19.874 1.00 22.25 C ATOM 477 C CYS A 52 2.288 14.958 -18.445 1.00 21.90 C ATOM 478 O CYS A 52 1.400 15.408 -17.733 1.00 27.14 O ATOM 479 CB CYS A 52 3.777 16.136 -19.942 1.00 22.03 C ATOM 480 SG CYS A 52 3.739 17.578 -18.923 1.00 34.00 S ATOM 481 H CYS A 52 1.064 17.116 -19.984 1.00 0.00 H ATOM 482 N PHE A 53 3.164 14.036 -18.038 1.00 22.68 N ATOM 483 CA PHE A 53 3.295 13.577 -16.662 1.00 22.89 C ATOM 484 C PHE A 53 4.375 14.439 -16.057 1.00 23.58 C ATOM 485 O PHE A 53 5.575 14.268 -16.388 1.00 28.17 O ATOM 486 CB PHE A 53 3.691 12.091 -16.596 1.00 25.26 C ATOM 487 CG PHE A 53 2.534 11.130 -16.788 1.00 23.87 C ATOM 488 CD1 PHE A 53 2.096 10.768 -18.053 1.00 27.17 C ATOM 489 CD2 PHE A 53 1.901 10.567 -15.664 1.00 21.96 C ATOM 490 CE1 PHE A 53 1.023 9.892 -18.211 1.00 24.68 C ATOM 491 CE2 PHE A 53 0.820 9.698 -15.808 1.00 21.73 C ATOM 492 CZ PHE A 53 0.390 9.355 -17.094 1.00 24.07 C ATOM 493 H PHE A 53 3.795 13.618 -18.751 1.00 0.00 H ATOM 494 N HIS A 54 3.973 15.369 -15.192 1.00 21.58 N ATOM 495 CA HIS A 54 4.880 16.424 -14.691 1.00 25.97 C ATOM 496 C HIS A 54 5.654 16.032 -13.438 1.00 26.07 C ATOM 497 O HIS A 54 6.658 16.697 -13.114 1.00 26.99 O ATOM 498 CB HIS A 54 4.123 17.739 -14.413 1.00 28.59 C ATOM 499 CG HIS A 54 3.073 17.599 -13.359 1.00 26.51 C ATOM 500 ND1 HIS A 54 1.773 17.193 -13.647 1.00 27.24 N ATOM 501 CD2 HIS A 54 3.128 17.788 -12.022 1.00 28.47 C ATOM 502 CE1 HIS A 54 1.094 17.127 -12.516 1.00 26.36 C ATOM 503 NE2 HIS A 54 1.886 17.483 -11.520 1.00 29.08 N ATOM 504 H HIS A 54 2.988 15.352 -14.858 1.00 0.00 H ATOM 505 N ARG A 55 5.188 15.000 -12.741 1.00 20.84 N ATOM 506 CA ARG A 55 5.835 14.539 -11.520 1.00 22.39 C ATOM 507 C ARG A 55 5.859 13.016 -11.441 1.00 20.23 C ATOM 508 O ARG A 55 4.817 12.368 -11.348 1.00 21.65 O ATOM 509 CB ARG A 55 5.130 15.117 -10.290 1.00 23.86 C ATOM 510 CG ARG A 55 5.752 14.703 -8.966 1.00 24.27 C ATOM 511 CD ARG A 55 5.274 15.592 -7.830 1.00 25.46 C ATOM 512 NE ARG A 55 3.959 15.191 -7.338 1.00 26.52 N ATOM 513 CZ ARG A 55 3.700 14.871 -6.074 1.00 24.16 C ATOM 514 NH1 ARG A 55 4.668 14.905 -5.168 1.00 26.29 N ATOM 515 NH2 ARG A 55 2.474 14.518 -5.715 1.00 27.78 N ATOM 516 HE ARG A 55 3.175 15.153 -8.020 1.00 0.00 H ATOM 517 HH12 ARG A 55 4.464 14.654 -4.179 1.00 0.00 H ATOM 518 HH11 ARG A 55 5.631 15.182 -5.446 1.00 0.00 H ATOM 519 HH22 ARG A 55 2.274 14.268 -4.726 1.00 0.00 H ATOM 520 HH21 ARG A 55 1.712 14.491 -6.423 1.00 0.00 H ATOM 521 H ARG A 55 4.336 14.507 -13.078 1.00 0.00 H ATOM 522 N ILE A 56 7.063 12.457 -11.479 1.00 18.54 N ATOM 523 CA ILE A 56 7.259 11.035 -11.411 1.00 18.65 C ATOM 524 C ILE A 56 8.313 10.732 -10.348 1.00 17.58 C ATOM 525 O ILE A 56 9.488 11.148 -10.509 1.00 20.34 O ATOM 526 CB ILE A 56 7.702 10.449 -12.807 1.00 19.51 C ATOM 527 CG1 ILE A 56 6.596 10.693 -13.869 1.00 19.59 C ATOM 528 CG2 ILE A 56 7.963 8.973 -12.685 1.00 19.37 C ATOM 529 CD1 ILE A 56 6.935 10.165 -15.255 1.00 23.96 C ATOM 530 H ILE A 56 7.897 13.073 -11.561 1.00 0.00 H ATOM 531 N ILE A 57 7.918 9.986 -9.318 1.00 18.07 N ATOM 532 CA ILE A 57 8.777 9.621 -8.172 1.00 19.19 C ATOM 533 C ILE A 57 8.869 8.086 -8.083 1.00 19.99 C ATOM 534 O ILE A 57 7.890 7.384 -7.710 1.00 20.28 O ATOM 535 CB ILE A 57 8.276 10.236 -6.826 1.00 21.40 C ATOM 536 CG1 ILE A 57 8.210 11.753 -6.930 1.00 20.58 C ATOM 537 CG2 ILE A 57 9.203 9.840 -5.679 1.00 20.29 C ATOM 538 CD1 ILE A 57 7.461 12.502 -5.817 1.00 21.27 C ATOM 539 H ILE A 57 6.938 9.636 -9.320 1.00 0.00 H ATOM 540 N PRO A 58 10.049 7.509 -8.451 1.00 20.00 N ATOM 541 CA PRO A 58 10.200 6.068 -8.390 1.00 20.71 C ATOM 542 C PRO A 58 9.951 5.526 -6.977 1.00 21.68 C ATOM 543 O PRO A 58 10.320 6.173 -5.976 1.00 22.36 O ATOM 544 CB PRO A 58 11.677 5.842 -8.828 1.00 20.58 C ATOM 545 CG PRO A 58 11.946 7.023 -9.680 1.00 21.86 C ATOM 546 CD PRO A 58 11.254 8.165 -9.011 1.00 21.69 C ATOM 547 N GLY A 59 9.224 4.427 -6.911 1.00 21.20 N ATOM 548 CA GLY A 59 8.823 3.824 -5.648 1.00 23.00 C ATOM 549 C GLY A 59 7.653 4.553 -4.972 1.00 22.55 C ATOM 550 O GLY A 59 7.389 4.302 -3.787 1.00 22.75 O ATOM 551 H GLY A 59 8.925 3.973 -7.798 1.00 0.00 H ATOM 552 N PHE A 60 6.991 5.440 -5.711 1.00 21.72 N ATOM 553 CA PHE A 60 5.808 6.159 -5.187 1.00 19.67 C ATOM 554 C PHE A 60 4.695 6.201 -6.246 1.00 18.39 C ATOM 555 O PHE A 60 3.712 5.418 -6.110 1.00 20.40 O ATOM 556 CB PHE A 60 6.220 7.515 -4.611 1.00 20.79 C ATOM 557 CG PHE A 60 5.107 8.372 -4.025 1.00 19.56 C ATOM 558 CD1 PHE A 60 3.843 7.834 -3.632 1.00 21.36 C ATOM 559 CD2 PHE A 60 5.334 9.726 -3.847 1.00 19.46 C ATOM 560 CE1 PHE A 60 2.872 8.683 -3.099 1.00 21.76 C ATOM 561 CE2 PHE A 60 4.350 10.595 -3.328 1.00 20.88 C ATOM 562 CZ PHE A 60 3.111 10.053 -2.957 1.00 22.90 C ATOM 563 H PHE A 60 7.313 5.633 -6.681 1.00 0.00 H ATOM 564 N MET A 61 4.772 7.109 -7.225 1.00 18.68 N ATOM 565 CA MET A 61 3.697 7.262 -8.205 1.00 17.85 C ATOM 566 C MET A 61 4.119 8.114 -9.426 1.00 18.88 C ATOM 567 O MET A 61 5.188 8.809 -9.383 1.00 20.11 O ATOM 568 CB MET A 61 2.394 7.822 -7.536 1.00 19.01 C ATOM 569 CG MET A 61 2.567 9.174 -6.861 1.00 19.73 C ATOM 570 SD MET A 61 2.483 10.622 -8.000 1.00 21.38 S ATOM 571 CE MET A 61 4.020 11.502 -7.648 1.00 24.16 C ATOM 572 H MET A 61 5.612 7.718 -7.291 1.00 0.00 H ATOM 573 N CYS A 62 3.268 8.091 -10.483 1.00 17.41 N ATOM 574 CA CYS A 62 3.391 8.948 -11.685 1.00 16.95 C ATOM 575 C CYS A 62 2.165 9.842 -11.713 1.00 18.15 C ATOM 576 O CYS A 62 1.026 9.297 -11.757 1.00 18.63 O ATOM 577 CB CYS A 62 3.386 8.044 -12.962 1.00 19.06 C ATOM 578 SG CYS A 62 4.754 6.833 -13.078 1.00 22.95 S ATOM 579 H CYS A 62 2.472 7.423 -10.446 1.00 0.00 H ATOM 580 N GLN A 63 2.341 11.166 -11.759 1.00 17.93 N ATOM 581 CA GLN A 63 1.201 12.136 -11.716 1.00 17.39 C ATOM 582 C GLN A 63 1.139 12.944 -13.013 1.00 16.35 C ATOM 583 O GLN A 63 2.197 13.435 -13.527 1.00 19.93 O ATOM 584 CB GLN A 63 1.335 13.095 -10.509 1.00 18.57 C ATOM 585 CG GLN A 63 0.130 14.001 -10.284 1.00 19.10 C ATOM 586 CD GLN A 63 0.189 14.759 -8.956 1.00 21.58 C ATOM 587 OE1 GLN A 63 0.840 14.325 -7.972 1.00 25.53 O ATOM 588 NE2 GLN A 63 -0.507 15.913 -8.904 1.00 21.70 N ATOM 589 HE22 GLN A 63 -1.034 16.240 -9.739 1.00 0.00 H ATOM 590 HE21 GLN A 63 -0.517 16.475 -8.029 1.00 0.00 H ATOM 591 H GLN A 63 3.310 11.538 -11.827 1.00 0.00 H ATOM 592 N GLY A 64 -0.099 13.098 -13.532 1.00 15.92 N ATOM 593 CA GLY A 64 -0.340 13.957 -14.674 1.00 18.16 C ATOM 594 C GLY A 64 -1.761 14.506 -14.740 1.00 17.20 C ATOM 595 O GLY A 64 -2.362 14.651 -13.685 1.00 19.02 O ATOM 596 H GLY A 64 -0.897 12.588 -13.102 1.00 0.00 H ATOM 597 N GLY A 65 -2.186 14.933 -15.932 1.00 17.31 N ATOM 598 CA GLY A 65 -3.576 15.443 -16.134 1.00 18.30 C ATOM 599 C GLY A 65 -3.726 16.963 -16.069 1.00 17.91 C ATOM 600 O GLY A 65 -4.850 17.498 -16.166 1.00 19.21 O ATOM 601 H GLY A 65 -1.532 14.910 -16.741 1.00 0.00 H ATOM 602 N ASP A 66 -2.615 17.709 -15.887 1.00 17.24 N ATOM 603 CA ASP A 66 -2.678 19.151 -15.894 1.00 17.79 C ATOM 604 C ASP A 66 -2.560 19.709 -17.330 1.00 18.69 C ATOM 605 O ASP A 66 -1.458 20.035 -17.805 1.00 20.76 O ATOM 606 CB ASP A 66 -1.594 19.816 -15.030 1.00 18.86 C ATOM 607 CG ASP A 66 -1.719 21.354 -14.998 1.00 19.33 C ATOM 608 OD1 ASP A 66 -2.591 21.940 -15.732 1.00 19.84 O ATOM 609 OD2 ASP A 66 -0.892 21.996 -14.265 1.00 21.34 O ATOM 610 H ASP A 66 -1.700 17.237 -15.740 1.00 0.00 H ATOM 611 N PHE A 67 -3.685 19.764 -18.034 1.00 18.73 N ATOM 612 CA PHE A 67 -3.689 20.203 -19.458 1.00 19.84 C ATOM 613 C PHE A 67 -3.809 21.722 -19.663 1.00 20.63 C ATOM 614 O PHE A 67 -3.792 22.191 -20.810 1.00 24.65 O ATOM 615 CB PHE A 67 -4.724 19.389 -20.312 1.00 20.32 C ATOM 616 CG PHE A 67 -6.169 19.498 -19.839 1.00 20.94 C ATOM 617 CD1 PHE A 67 -6.986 20.551 -20.212 1.00 24.81 C ATOM 618 CD2 PHE A 67 -6.685 18.514 -19.025 1.00 23.03 C ATOM 619 CE1 PHE A 67 -8.312 20.615 -19.746 1.00 25.77 C ATOM 620 CE2 PHE A 67 -7.982 18.577 -18.552 1.00 25.99 C ATOM 621 CZ PHE A 67 -8.783 19.611 -18.928 1.00 25.57 C ATOM 622 H PHE A 67 -4.582 19.495 -17.582 1.00 0.00 H ATOM 623 N THR A 68 -4.043 22.492 -18.568 1.00 19.63 N ATOM 624 CA THR A 68 -4.141 23.944 -18.693 1.00 20.67 C ATOM 625 C THR A 68 -2.829 24.686 -18.341 1.00 21.11 C ATOM 626 O THR A 68 -2.578 25.717 -18.987 1.00 21.72 O ATOM 627 CB THR A 68 -5.306 24.562 -17.918 1.00 23.76 C ATOM 628 OG1 THR A 68 -5.138 24.328 -16.513 1.00 25.41 O ATOM 629 CG2 THR A 68 -6.648 23.975 -18.385 1.00 25.07 C ATOM 630 HG1 THR A 68 -5.896 24.731 -16.020 1.00 0.00 H ATOM 631 H THR A 68 -4.153 22.045 -17.636 1.00 0.00 H ATOM 632 N ARG A 69 -2.063 24.226 -17.335 1.00 26.37 N ATOM 633 CA ARG A 69 -0.799 24.888 -16.937 1.00 24.86 C ATOM 634 C ARG A 69 0.464 24.040 -17.044 1.00 25.34 C ATOM 635 O ARG A 69 1.615 24.582 -16.882 1.00 26.41 O ATOM 636 CB ARG A 69 -0.943 25.490 -15.529 1.00 24.51 C ATOM 637 CG ARG A 69 -1.966 26.610 -15.507 1.00 24.40 C ATOM 638 CD ARG A 69 -2.161 27.278 -14.150 1.00 25.75 C ATOM 639 NE ARG A 69 -0.962 27.983 -13.705 1.00 24.66 N ATOM 640 CZ ARG A 69 -0.427 29.040 -14.328 1.00 28.05 C ATOM 641 NH1 ARG A 69 -0.949 29.511 -15.441 1.00 29.13 N ATOM 642 NH2 ARG A 69 0.660 29.637 -13.865 1.00 28.05 N ATOM 643 HE ARG A 69 -0.491 27.640 -12.844 1.00 0.00 H ATOM 644 HH12 ARG A 69 -0.518 30.333 -15.910 1.00 0.00 H ATOM 645 HH11 ARG A 69 -1.792 29.061 -15.851 1.00 0.00 H ATOM 646 HH22 ARG A 69 1.057 30.457 -14.367 1.00 0.00 H ATOM 647 HH21 ARG A 69 1.117 29.286 -12.999 1.00 0.00 H ATOM 648 H ARG A 69 -2.369 23.376 -16.819 1.00 0.00 H ATOM 649 N HIS A 70 0.296 22.742 -17.343 1.00 22.84 N ATOM 650 CA HIS A 70 1.430 21.819 -17.656 1.00 26.06 C ATOM 651 C HIS A 70 2.482 21.606 -16.565 1.00 29.54 C ATOM 652 O HIS A 70 3.599 21.115 -16.864 1.00 34.69 O ATOM 653 CB HIS A 70 2.118 22.250 -18.966 1.00 26.95 C ATOM 654 CG HIS A 70 1.197 22.995 -19.864 1.00 22.53 C ATOM 655 ND1 HIS A 70 0.112 22.386 -20.489 1.00 22.14 N ATOM 656 CD2 HIS A 70 1.161 24.298 -20.218 1.00 26.21 C ATOM 657 CE1 HIS A 70 -0.554 23.291 -21.176 1.00 23.97 C ATOM 658 NE2 HIS A 70 0.042 24.465 -21.009 1.00 26.76 N ATOM 659 H HIS A 70 -0.671 22.359 -17.358 1.00 0.00 H ATOM 660 N ASN A 71 2.143 21.946 -15.329 1.00 25.87 N ATOM 661 CA ASN A 71 3.143 21.904 -14.260 1.00 27.93 C ATOM 662 C ASN A 71 2.664 21.421 -12.913 1.00 26.38 C ATOM 663 O ASN A 71 3.408 21.465 -11.937 1.00 31.65 O ATOM 664 CB ASN A 71 3.817 23.284 -14.144 1.00 28.83 C ATOM 665 CG ASN A 71 2.870 24.398 -13.633 1.00 27.95 C ATOM 666 OD1 ASN A 71 1.631 24.197 -13.373 1.00 25.63 O ATOM 667 ND2 ASN A 71 3.437 25.552 -13.449 1.00 29.99 N ATOM 668 HD22 ASN A 71 4.445 25.677 -13.671 1.00 0.00 H ATOM 669 HD21 ASN A 71 2.883 26.351 -13.079 1.00 0.00 H ATOM 670 H ASN A 71 1.168 22.242 -15.119 1.00 0.00 H ATOM 671 N GLY A 72 1.390 21.008 -12.839 1.00 23.11 N ATOM 672 CA GLY A 72 0.843 20.566 -11.582 1.00 24.50 C ATOM 673 C GLY A 72 0.063 21.596 -10.783 1.00 22.05 C ATOM 674 O GLY A 72 -0.394 21.275 -9.686 1.00 28.34 O ATOM 675 H GLY A 72 0.795 21.007 -13.692 1.00 0.00 H ATOM 676 N THR A 73 -0.178 22.784 -11.361 1.00 23.53 N ATOM 677 CA THR A 73 -0.987 23.817 -10.698 1.00 23.81 C ATOM 678 C THR A 73 -2.395 23.986 -11.296 1.00 22.31 C ATOM 679 O THR A 73 -3.177 24.734 -10.706 1.00 29.38 O ATOM 680 CB THR A 73 -0.290 25.182 -10.692 1.00 25.46 C ATOM 681 OG1 THR A 73 -0.151 25.665 -12.041 1.00 26.56 O ATOM 682 CG2 THR A 73 1.135 25.034 -10.048 1.00 25.83 C ATOM 683 HG1 THR A 73 0.390 25.023 -12.566 1.00 0.00 H ATOM 684 H THR A 73 0.218 22.978 -12.303 1.00 0.00 H ATOM 685 N GLY A 74 -2.695 23.333 -12.422 1.00 20.83 N ATOM 686 CA GLY A 74 -3.982 23.536 -13.144 1.00 21.31 C ATOM 687 C GLY A 74 -4.823 22.283 -13.388 1.00 20.08 C ATOM 688 O GLY A 74 -4.813 21.329 -12.580 1.00 20.58 O ATOM 689 H GLY A 74 -2.005 22.658 -12.809 1.00 0.00 H ATOM 690 N GLY A 75 -5.594 22.337 -14.484 1.00 21.95 N ATOM 691 CA GLY A 75 -6.596 21.361 -14.818 1.00 22.84 C ATOM 692 C GLY A 75 -8.023 21.795 -14.449 1.00 22.55 C ATOM 693 O GLY A 75 -8.248 22.712 -13.687 1.00 25.13 O ATOM 694 H GLY A 75 -5.458 23.137 -15.135 1.00 0.00 H ATOM 695 N LYS A 76 -8.970 21.104 -15.045 1.00 22.32 N ATOM 696 CA LYS A 76 -10.414 21.345 -14.813 1.00 21.80 C ATOM 697 C LYS A 76 -11.206 20.081 -15.125 1.00 21.89 C ATOM 698 O LYS A 76 -10.811 19.259 -15.951 1.00 20.09 O ATOM 699 CB LYS A 76 -10.962 22.539 -15.625 1.00 26.99 C ATOM 700 CG LYS A 76 -11.013 22.367 -17.135 1.00 26.50 C ATOM 701 CD LYS A 76 -11.521 23.607 -17.852 1.00 29.04 C ATOM 702 CE LYS A 76 -11.588 23.341 -19.359 1.00 31.51 C ATOM 703 NZ LYS A 76 -12.177 24.433 -20.166 1.00 35.00 N ATOM 704 HZ1 LYS A 76 -13.153 24.607 -19.852 1.00 0.00 H ATOM 705 HZ2 LYS A 76 -11.612 25.297 -20.042 1.00 0.00 H ATOM 706 HZ3 LYS A 76 -12.178 24.159 -21.169 1.00 0.00 H ATOM 707 H LYS A 76 -8.693 20.354 -15.710 1.00 0.00 H ATOM 708 N SER A 77 -12.367 19.964 -14.476 1.00 22.61 N ATOM 709 CA SER A 77 -13.227 18.798 -14.659 1.00 20.81 C ATOM 710 C SER A 77 -14.322 19.071 -15.716 1.00 21.24 C ATOM 711 O SER A 77 -14.491 20.188 -16.183 1.00 24.13 O ATOM 712 CB SER A 77 -13.844 18.379 -13.308 1.00 21.60 C ATOM 713 OG SER A 77 -15.110 19.013 -13.051 1.00 22.08 O ATOM 714 HG SER A 77 -14.989 19.995 -13.036 1.00 0.00 H ATOM 715 H SER A 77 -12.665 20.719 -13.826 1.00 0.00 H ATOM 716 N ILE A 78 -15.013 18.017 -16.141 1.00 20.66 N ATOM 717 CA ILE A 78 -16.183 18.160 -17.030 1.00 21.84 C ATOM 718 C ILE A 78 -17.425 18.772 -16.331 1.00 23.91 C ATOM 719 O ILE A 78 -18.423 19.067 -17.000 1.00 28.01 O ATOM 720 CB ILE A 78 -16.589 16.792 -17.717 1.00 21.91 C ATOM 721 CG1 ILE A 78 -17.188 15.769 -16.706 1.00 21.79 C ATOM 722 CG2 ILE A 78 -15.421 16.168 -18.511 1.00 21.93 C ATOM 723 CD1 ILE A 78 -17.866 14.550 -17.344 1.00 22.97 C ATOM 724 H ILE A 78 -14.721 17.066 -15.839 1.00 0.00 H ATOM 725 N TYR A 79 -17.351 18.943 -15.016 1.00 23.76 N ATOM 726 CA TYR A 79 -18.443 19.493 -14.165 1.00 24.26 C ATOM 727 C TYR A 79 -18.242 20.954 -13.735 1.00 30.61 C ATOM 728 O TYR A 79 -19.088 21.509 -13.022 1.00 36.61 O ATOM 729 CB TYR A 79 -18.613 18.630 -12.891 1.00 24.39 C ATOM 730 CG TYR A 79 -18.729 17.136 -13.166 1.00 23.09 C ATOM 731 CD1 TYR A 79 -19.819 16.591 -13.903 1.00 22.70 C ATOM 732 CD2 TYR A 79 -17.772 16.240 -12.688 1.00 21.17 C ATOM 733 CE1 TYR A 79 -19.892 15.238 -14.169 1.00 23.83 C ATOM 734 CE2 TYR A 79 -17.837 14.898 -12.972 1.00 22.17 C ATOM 735 CZ TYR A 79 -18.908 14.380 -13.689 1.00 22.43 C ATOM 736 OH TYR A 79 -19.000 13.048 -13.974 1.00 21.52 O ATOM 737 HH TYR A 79 -19.829 12.878 -14.489 1.00 0.00 H ATOM 738 H TYR A 79 -16.464 18.673 -14.545 1.00 0.00 H ATOM 739 N GLY A 80 -17.125 21.566 -14.139 1.00 28.22 N ATOM 740 CA GLY A 80 -16.675 22.830 -13.584 1.00 29.99 C ATOM 741 C GLY A 80 -15.208 22.774 -13.181 1.00 25.00 C ATOM 742 O GLY A 80 -14.538 21.741 -13.376 1.00 25.45 O ATOM 743 H GLY A 80 -16.553 21.118 -14.883 1.00 0.00 H ATOM 744 N GLU A 81 -14.695 23.847 -12.588 1.00 26.02 N ATOM 745 CA GLU A 81 -13.243 23.854 -12.212 1.00 27.17 C ATOM 746 C GLU A 81 -12.882 22.756 -11.224 1.00 26.66 C ATOM 747 O GLU A 81 -11.850 22.082 -11.384 1.00 27.11 O ATOM 748 CB GLU A 81 -12.778 25.185 -11.635 1.00 32.40 C ATOM 749 CG GLU A 81 -11.233 25.213 -11.523 1.00 43.04 C ATOM 750 CD GLU A 81 -10.653 26.487 -10.915 1.00 53.51 C ATOM 751 OE1 GLU A 81 -11.412 27.283 -10.306 1.00 69.56 O ATOM 752 OE2 GLU A 81 -9.412 26.678 -11.040 1.00 56.32 O ATOM 753 H GLU A 81 -15.294 24.673 -12.387 1.00 0.00 H ATOM 754 N LYS A 82 -13.765 22.513 -10.246 1.00 23.11 N ATOM 755 CA LYS A 82 -13.577 21.487 -9.216 1.00 23.73 C ATOM 756 C LYS A 82 -14.895 20.707 -8.964 1.00 21.84 C ATOM 757 O LYS A 82 -15.997 21.233 -9.262 1.00 24.22 O ATOM 758 CB LYS A 82 -13.110 22.125 -7.891 1.00 29.10 C ATOM 759 CG LYS A 82 -11.801 22.916 -7.935 1.00 33.69 C ATOM 760 CD LYS A 82 -11.527 23.639 -6.619 1.00 36.32 C ATOM 761 CE LYS A 82 -11.023 25.068 -6.812 1.00 41.35 C ATOM 762 NZ LYS A 82 -10.428 25.653 -5.560 1.00 42.65 N ATOM 763 HZ1 LYS A 82 -11.148 25.669 -4.810 1.00 0.00 H ATOM 764 HZ2 LYS A 82 -9.622 25.070 -5.256 1.00 0.00 H ATOM 765 HZ3 LYS A 82 -10.104 26.622 -5.752 1.00 0.00 H ATOM 766 H LYS A 82 -14.633 23.085 -10.216 1.00 0.00 H ATOM 767 N PHE A 83 -14.776 19.504 -8.396 1.00 20.14 N ATOM 768 CA PHE A 83 -15.908 18.738 -7.891 1.00 19.70 C ATOM 769 C PHE A 83 -15.585 17.950 -6.614 1.00 17.69 C ATOM 770 O PHE A 83 -14.391 17.753 -6.198 1.00 18.19 O ATOM 771 CB PHE A 83 -16.589 17.853 -8.980 1.00 20.75 C ATOM 772 CG PHE A 83 -15.806 16.620 -9.442 1.00 19.20 C ATOM 773 CD1 PHE A 83 -14.684 16.793 -10.289 1.00 19.05 C ATOM 774 CD2 PHE A 83 -16.094 15.288 -8.996 1.00 20.77 C ATOM 775 CE1 PHE A 83 -13.987 15.679 -10.735 1.00 19.84 C ATOM 776 CE2 PHE A 83 -15.387 14.163 -9.473 1.00 21.07 C ATOM 777 CZ PHE A 83 -14.282 14.378 -10.313 1.00 19.93 C ATOM 778 H PHE A 83 -13.825 19.092 -8.310 1.00 0.00 H ATOM 779 N GLU A 84 -16.642 17.579 -5.917 1.00 18.32 N ATOM 780 CA GLU A 84 -16.535 16.864 -4.618 1.00 18.60 C ATOM 781 C GLU A 84 -15.901 15.493 -4.615 1.00 18.76 C ATOM 782 O GLU A 84 -15.857 14.807 -5.647 1.00 19.05 O ATOM 783 CB GLU A 84 -17.980 16.756 -4.016 1.00 21.08 C ATOM 784 CG GLU A 84 -18.928 15.759 -4.720 1.00 20.89 C ATOM 785 CD GLU A 84 -19.721 16.348 -5.900 1.00 23.89 C ATOM 786 OE1 GLU A 84 -19.451 17.478 -6.371 1.00 23.16 O ATOM 787 OE2 GLU A 84 -20.656 15.640 -6.365 1.00 27.53 O ATOM 788 H GLU A 84 -17.588 17.795 -6.291 1.00 0.00 H ATOM 789 N ASP A 85 -15.377 15.106 -3.431 1.00 18.49 N ATOM 790 CA ASP A 85 -14.963 13.720 -3.184 1.00 20.51 C ATOM 791 C ASP A 85 -16.210 12.802 -3.193 1.00 19.42 C ATOM 792 O ASP A 85 -17.117 12.973 -2.350 1.00 20.68 O ATOM 793 CB ASP A 85 -14.199 13.566 -1.885 1.00 19.42 C ATOM 794 CG ASP A 85 -12.870 14.375 -1.847 1.00 19.73 C ATOM 795 OD1 ASP A 85 -12.114 14.315 -2.864 1.00 20.12 O ATOM 796 OD2 ASP A 85 -12.637 15.083 -0.781 1.00 18.35 O ATOM 797 H ASP A 85 -15.264 15.810 -2.674 1.00 0.00 H ATOM 798 N GLU A 86 -16.290 11.904 -4.162 1.00 17.58 N ATOM 799 CA GLU A 86 -17.547 11.129 -4.366 1.00 18.62 C ATOM 800 C GLU A 86 -17.781 10.128 -3.215 1.00 18.98 C ATOM 801 O GLU A 86 -18.895 10.067 -2.628 1.00 19.59 O ATOM 802 CB GLU A 86 -17.507 10.406 -5.729 1.00 18.16 C ATOM 803 CG GLU A 86 -18.798 9.661 -6.103 1.00 20.97 C ATOM 804 CD GLU A 86 -18.794 9.163 -7.539 1.00 22.71 C ATOM 805 OE1 GLU A 86 -17.705 9.216 -8.207 1.00 21.12 O ATOM 806 OE2 GLU A 86 -19.879 8.790 -8.055 1.00 24.28 O ATOM 807 H GLU A 86 -15.473 11.738 -4.784 1.00 0.00 H ATOM 808 N ASN A 87 -16.764 9.322 -2.910 1.00 19.30 N ATOM 809 CA ASN A 87 -16.733 8.394 -1.818 1.00 17.75 C ATOM 810 C ASN A 87 -15.269 7.899 -1.641 1.00 18.76 C ATOM 811 O ASN A 87 -14.433 8.202 -2.500 1.00 19.73 O ATOM 812 CB ASN A 87 -17.745 7.244 -1.934 1.00 20.61 C ATOM 813 CG ASN A 87 -17.452 6.298 -3.111 1.00 21.87 C ATOM 814 OD1 ASN A 87 -16.341 5.704 -3.200 1.00 21.54 O ATOM 815 ND2 ASN A 87 -18.415 6.145 -4.005 1.00 22.53 N ATOM 816 HD22 ASN A 87 -19.315 6.654 -3.892 1.00 0.00 H ATOM 817 HD21 ASN A 87 -18.272 5.516 -4.821 1.00 0.00 H ATOM 818 H ASN A 87 -15.921 9.371 -3.516 1.00 0.00 H ATOM 819 N PHE A 88 -15.015 7.119 -0.587 1.00 18.93 N ATOM 820 CA PHE A 88 -13.678 6.509 -0.359 1.00 20.79 C ATOM 821 C PHE A 88 -13.821 4.976 -0.171 1.00 21.68 C ATOM 822 O PHE A 88 -13.092 4.348 0.624 1.00 23.46 O ATOM 823 CB PHE A 88 -12.952 7.213 0.830 1.00 21.65 C ATOM 824 CG PHE A 88 -12.717 8.694 0.629 1.00 19.05 C ATOM 825 CD1 PHE A 88 -11.685 9.138 -0.228 1.00 17.53 C ATOM 826 CD2 PHE A 88 -13.504 9.676 1.287 1.00 18.44 C ATOM 827 CE1 PHE A 88 -11.500 10.480 -0.450 1.00 18.58 C ATOM 828 CE2 PHE A 88 -13.320 11.028 1.060 1.00 19.18 C ATOM 829 CZ PHE A 88 -12.272 11.448 0.209 1.00 20.55 C ATOM 830 H PHE A 88 -15.777 6.932 0.096 1.00 0.00 H ATOM 831 N ILE A 89 -14.741 4.354 -0.943 1.00 21.24 N ATOM 832 CA ILE A 89 -14.947 2.911 -0.857 1.00 24.09 C ATOM 833 C ILE A 89 -13.645 2.096 -1.171 1.00 22.43 C ATOM 834 O ILE A 89 -13.297 1.145 -0.429 1.00 24.73 O ATOM 835 CB ILE A 89 -16.108 2.477 -1.781 1.00 24.59 C ATOM 836 CG1 ILE A 89 -17.440 3.029 -1.231 1.00 26.35 C ATOM 837 CG2 ILE A 89 -16.182 0.962 -1.869 1.00 26.73 C ATOM 838 CD1 ILE A 89 -18.577 2.867 -2.219 1.00 29.26 C ATOM 839 H ILE A 89 -15.311 4.913 -1.609 1.00 0.00 H ATOM 840 N LEU A 90 -12.929 2.526 -2.212 1.00 21.74 N ATOM 841 CA LEU A 90 -11.751 1.807 -2.694 1.00 24.01 C ATOM 842 C LEU A 90 -10.468 2.357 -2.104 1.00 24.03 C ATOM 843 O LEU A 90 -10.366 3.556 -1.847 1.00 22.93 O ATOM 844 CB LEU A 90 -11.702 1.867 -4.209 1.00 23.20 C ATOM 845 CG LEU A 90 -12.920 1.196 -4.891 1.00 28.27 C ATOM 846 CD1 LEU A 90 -12.892 1.501 -6.349 1.00 32.28 C ATOM 847 CD2 LEU A 90 -12.971 -0.315 -4.648 1.00 31.43 C ATOM 848 H LEU A 90 -13.218 3.400 -2.696 1.00 0.00 H ATOM 849 N LYS A 91 -9.518 1.453 -1.857 1.00 24.49 N ATOM 850 CA LYS A 91 -8.272 1.806 -1.148 1.00 22.89 C ATOM 851 C LYS A 91 -7.052 1.702 -2.072 1.00 20.80 C ATOM 852 O LYS A 91 -7.095 1.084 -3.126 1.00 22.14 O ATOM 853 CB LYS A 91 -8.091 0.914 0.094 1.00 25.94 C ATOM 854 CG LYS A 91 -9.280 0.832 1.048 1.00 29.88 C ATOM 855 CD LYS A 91 -9.799 2.137 1.580 1.00 32.49 C ATOM 856 CE LYS A 91 -11.040 1.879 2.447 1.00 36.44 C ATOM 857 NZ LYS A 91 -11.725 3.154 2.763 1.00 40.86 N ATOM 858 HZ1 LYS A 91 -11.073 3.777 3.281 1.00 0.00 H ATOM 859 HZ2 LYS A 91 -12.019 3.616 1.879 1.00 0.00 H ATOM 860 HZ3 LYS A 91 -12.562 2.961 3.350 1.00 0.00 H ATOM 861 H LYS A 91 -9.659 0.472 -2.173 1.00 0.00 H ATOM 862 N HIS A 92 -5.954 2.292 -1.596 1.00 19.97 N ATOM 863 CA HIS A 92 -4.669 2.321 -2.328 1.00 21.32 C ATOM 864 C HIS A 92 -3.886 1.051 -1.969 1.00 23.41 C ATOM 865 O HIS A 92 -3.064 1.060 -1.052 1.00 28.60 O ATOM 866 CB HIS A 92 -3.872 3.608 -1.994 1.00 22.18 C ATOM 867 CG HIS A 92 -4.539 4.910 -2.378 1.00 18.11 C ATOM 868 ND1 HIS A 92 -5.522 5.487 -1.593 1.00 19.39 N ATOM 869 CD2 HIS A 92 -4.412 5.715 -3.466 1.00 19.64 C ATOM 870 CE1 HIS A 92 -5.925 6.617 -2.154 1.00 18.77 C ATOM 871 NE2 HIS A 92 -5.281 6.774 -3.303 1.00 19.68 N ATOM 872 H HIS A 92 -6.004 2.754 -0.665 1.00 0.00 H ATOM 873 N THR A 93 -4.158 -0.050 -2.705 1.00 25.24 N ATOM 874 CA THR A 93 -3.721 -1.398 -2.313 1.00 28.72 C ATOM 875 C THR A 93 -2.347 -1.812 -2.830 1.00 27.27 C ATOM 876 O THR A 93 -1.771 -2.744 -2.285 1.00 32.20 O ATOM 877 CB THR A 93 -4.768 -2.454 -2.728 1.00 27.45 C ATOM 878 OG1 THR A 93 -5.063 -2.316 -4.119 1.00 29.89 O ATOM 879 CG2 THR A 93 -6.063 -2.254 -1.943 1.00 30.34 C ATOM 880 HG1 THR A 93 -5.734 -2.994 -4.382 1.00 0.00 H ATOM 881 H THR A 93 -4.699 0.061 -3.586 1.00 0.00 H ATOM 882 N GLY A 94 -1.837 -1.128 -3.852 1.00 23.93 N ATOM 883 CA GLY A 94 -0.542 -1.482 -4.463 1.00 26.47 C ATOM 884 C GLY A 94 -0.326 -0.870 -5.826 1.00 25.97 C ATOM 885 O GLY A 94 -1.113 -0.039 -6.255 1.00 23.05 O ATOM 886 H GLY A 94 -2.368 -0.319 -4.232 1.00 0.00 H ATOM 887 N PRO A 95 0.747 -1.289 -6.546 1.00 25.52 N ATOM 888 CA PRO A 95 1.018 -0.789 -7.891 1.00 24.92 C ATOM 889 C PRO A 95 -0.178 -0.895 -8.854 1.00 24.18 C ATOM 890 O PRO A 95 -0.927 -1.908 -8.825 1.00 28.15 O ATOM 891 CB PRO A 95 2.182 -1.675 -8.378 1.00 26.78 C ATOM 892 CG PRO A 95 2.846 -2.154 -7.113 1.00 31.36 C ATOM 893 CD PRO A 95 1.742 -2.287 -6.093 1.00 28.53 C ATOM 894 N GLY A 96 -0.339 0.127 -9.702 1.00 22.70 N ATOM 895 CA GLY A 96 -1.389 0.123 -10.737 1.00 22.92 C ATOM 896 C GLY A 96 -2.723 0.786 -10.360 1.00 22.18 C ATOM 897 O GLY A 96 -3.512 1.082 -11.260 1.00 21.73 O ATOM 898 H GLY A 96 0.295 0.948 -9.629 1.00 0.00 H ATOM 899 N ILE A 97 -2.918 1.141 -9.094 1.00 21.04 N ATOM 900 CA ILE A 97 -4.133 1.901 -8.660 1.00 20.50 C ATOM 901 C ILE A 97 -4.117 3.318 -9.296 1.00 20.20 C ATOM 902 O ILE A 97 -3.072 4.027 -9.317 1.00 19.49 O ATOM 903 CB ILE A 97 -4.177 1.994 -7.117 1.00 22.53 C ATOM 904 CG1 ILE A 97 -4.481 0.592 -6.496 1.00 25.54 C ATOM 905 CG2 ILE A 97 -5.190 3.051 -6.622 1.00 23.91 C ATOM 906 CD1 ILE A 97 -5.912 0.071 -6.745 1.00 28.49 C ATOM 907 H ILE A 97 -2.204 0.883 -8.383 1.00 0.00 H ATOM 908 N LEU A 98 -5.294 3.731 -9.780 1.00 18.39 N ATOM 909 CA LEU A 98 -5.549 5.009 -10.416 1.00 18.45 C ATOM 910 C LEU A 98 -6.468 5.823 -9.486 1.00 18.90 C ATOM 911 O LEU A 98 -7.568 5.377 -9.061 1.00 19.53 O ATOM 912 CB LEU A 98 -6.229 4.798 -11.768 1.00 20.06 C ATOM 913 CG LEU A 98 -6.544 6.002 -12.623 1.00 21.42 C ATOM 914 CD1 LEU A 98 -5.281 6.764 -13.074 1.00 21.85 C ATOM 915 CD2 LEU A 98 -7.370 5.602 -13.859 1.00 21.32 C ATOM 916 H LEU A 98 -6.098 3.077 -9.692 1.00 0.00 H ATOM 917 N SER A 99 -5.988 6.989 -9.095 1.00 15.91 N ATOM 918 CA SER A 99 -6.578 7.853 -8.038 1.00 17.93 C ATOM 919 C SER A 99 -6.486 9.334 -8.374 1.00 18.23 C ATOM 920 O SER A 99 -5.637 9.783 -9.158 1.00 18.35 O ATOM 921 CB SER A 99 -5.904 7.513 -6.669 1.00 17.63 C ATOM 922 OG SER A 99 -6.486 8.233 -5.574 1.00 19.11 O ATOM 923 HG SER A 99 -6.025 7.983 -4.734 1.00 0.00 H ATOM 924 H SER A 99 -5.126 7.332 -9.565 1.00 0.00 H ATOM 925 N MET A 100 -7.409 10.150 -7.815 1.00 16.05 N ATOM 926 CA MET A 100 -7.439 11.591 -8.069 1.00 15.93 C ATOM 927 C MET A 100 -6.461 12.396 -7.185 1.00 15.78 C ATOM 928 O MET A 100 -6.447 12.228 -5.965 1.00 17.46 O ATOM 929 CB MET A 100 -8.869 12.151 -7.852 1.00 17.31 C ATOM 930 CG MET A 100 -9.907 11.623 -8.861 1.00 18.94 C ATOM 931 SD MET A 100 -9.477 12.039 -10.605 1.00 19.95 S ATOM 932 CE MET A 100 -9.700 13.791 -10.652 1.00 21.49 C ATOM 933 H MET A 100 -8.124 9.738 -7.181 1.00 0.00 H ATOM 934 N ALA A 101 -5.668 13.279 -7.839 1.00 16.21 N ATOM 935 CA ALA A 101 -4.863 14.285 -7.103 1.00 17.52 C ATOM 936 C ALA A 101 -5.822 15.353 -6.562 1.00 15.96 C ATOM 937 O ALA A 101 -6.950 15.494 -7.106 1.00 18.57 O ATOM 938 CB ALA A 101 -3.788 14.876 -7.998 1.00 18.47 C ATOM 939 H ALA A 101 -5.623 13.251 -8.878 1.00 0.00 H ATOM 940 N ASN A 102 -5.457 16.079 -5.509 1.00 17.39 N ATOM 941 CA ASN A 102 -6.291 17.145 -4.980 1.00 18.77 C ATOM 942 C ASN A 102 -5.513 18.115 -4.139 1.00 19.12 C ATOM 943 O ASN A 102 -4.276 17.887 -3.877 1.00 19.20 O ATOM 944 CB ASN A 102 -7.560 16.606 -4.255 1.00 17.84 C ATOM 945 CG ASN A 102 -7.227 15.879 -2.968 1.00 18.04 C ATOM 946 OD1 ASN A 102 -6.437 16.413 -2.140 1.00 19.44 O ATOM 947 ND2 ASN A 102 -7.761 14.690 -2.773 1.00 17.88 N ATOM 948 HD22 ASN A 102 -8.407 14.288 -3.482 1.00 0.00 H ATOM 949 HD21 ASN A 102 -7.536 14.154 -1.911 1.00 0.00 H ATOM 950 H ASN A 102 -4.546 15.877 -5.050 1.00 0.00 H ATOM 951 N ALA A 103 -6.153 19.226 -3.801 1.00 18.99 N ATOM 952 CA ALA A 103 -5.543 20.344 -3.032 1.00 20.82 C ATOM 953 C ALA A 103 -6.296 20.594 -1.723 1.00 21.98 C ATOM 954 O ALA A 103 -6.245 21.717 -1.212 1.00 30.47 O ATOM 955 CB ALA A 103 -5.516 21.630 -3.869 1.00 22.19 C ATOM 956 H ALA A 103 -7.147 19.322 -4.093 1.00 0.00 H ATOM 957 N GLY A 104 -6.900 19.542 -1.129 1.00 19.67 N ATOM 958 CA GLY A 104 -7.756 19.689 0.053 1.00 20.08 C ATOM 959 C GLY A 104 -9.111 19.031 -0.187 1.00 18.54 C ATOM 960 O GLY A 104 -9.329 18.436 -1.239 1.00 18.99 O ATOM 961 H GLY A 104 -6.753 18.592 -1.525 1.00 0.00 H ATOM 962 N PRO A 105 -9.971 19.036 0.839 1.00 19.02 N ATOM 963 CA PRO A 105 -11.286 18.384 0.645 1.00 19.34 C ATOM 964 C PRO A 105 -12.074 18.935 -0.535 1.00 18.76 C ATOM 965 O PRO A 105 -12.139 20.134 -0.725 1.00 19.41 O ATOM 966 CB PRO A 105 -12.024 18.627 1.977 1.00 22.78 C ATOM 967 CG PRO A 105 -11.297 19.697 2.668 1.00 25.61 C ATOM 968 CD PRO A 105 -9.861 19.719 2.151 1.00 21.16 C ATOM 969 N ASN A 106 -12.701 18.044 -1.314 1.00 17.47 N ATOM 970 CA ASN A 106 -13.626 18.474 -2.364 1.00 18.43 C ATOM 971 C ASN A 106 -13.029 19.417 -3.404 1.00 18.90 C ATOM 972 O ASN A 106 -13.636 20.412 -3.793 1.00 20.02 O ATOM 973 CB ASN A 106 -14.904 19.044 -1.709 1.00 20.24 C ATOM 974 CG ASN A 106 -15.500 18.056 -0.732 1.00 18.82 C ATOM 975 OD1 ASN A 106 -15.802 16.941 -1.126 1.00 19.12 O ATOM 976 ND2 ASN A 106 -15.612 18.433 0.554 1.00 18.41 N ATOM 977 HD22 ASN A 106 -15.341 19.396 0.839 1.00 0.00 H ATOM 978 HD21 ASN A 106 -15.970 17.762 1.263 1.00 0.00 H ATOM 979 H ASN A 106 -12.528 17.029 -1.170 1.00 0.00 H ATOM 980 N THR A 107 -11.836 19.028 -3.911 1.00 17.52 N ATOM 981 CA THR A 107 -11.106 19.841 -4.885 1.00 19.11 C ATOM 982 C THR A 107 -10.608 19.045 -6.103 1.00 18.60 C ATOM 983 O THR A 107 -9.532 19.363 -6.705 1.00 20.43 O ATOM 984 CB THR A 107 -9.915 20.575 -4.224 1.00 19.85 C ATOM 985 OG1 THR A 107 -8.975 19.633 -3.693 1.00 20.31 O ATOM 986 CG2 THR A 107 -10.361 21.674 -3.214 1.00 20.74 C ATOM 987 HG1 THR A 107 -9.423 19.069 -3.013 1.00 0.00 H ATOM 988 H THR A 107 -11.426 18.125 -3.599 1.00 0.00 H ATOM 989 N ASN A 108 -11.328 17.994 -6.480 1.00 18.02 N ATOM 990 CA ASN A 108 -10.979 17.222 -7.687 1.00 17.16 C ATOM 991 C ASN A 108 -11.124 18.056 -8.969 1.00 19.42 C ATOM 992 O ASN A 108 -12.149 18.722 -9.141 1.00 20.12 O ATOM 993 CB ASN A 108 -11.836 15.938 -7.777 1.00 18.54 C ATOM 994 CG ASN A 108 -11.662 15.071 -6.569 1.00 17.73 C ATOM 995 OD1 ASN A 108 -10.601 14.487 -6.345 1.00 20.03 O ATOM 996 ND2 ASN A 108 -12.672 15.081 -5.683 1.00 18.53 N ATOM 997 HD22 ASN A 108 -13.554 15.585 -5.906 1.00 0.00 H ATOM 998 HD21 ASN A 108 -12.572 14.585 -4.774 1.00 0.00 H ATOM 999 H ASN A 108 -12.153 17.711 -5.914 1.00 0.00 H ATOM 1000 N GLY A 109 -10.170 17.935 -9.929 1.00 19.61 N ATOM 1001 CA GLY A 109 -10.273 18.593 -11.216 1.00 18.87 C ATOM 1002 C GLY A 109 -10.056 17.565 -12.323 1.00 18.56 C ATOM 1003 O GLY A 109 -10.915 16.730 -12.627 1.00 20.25 O ATOM 1004 H GLY A 109 -9.334 17.348 -9.733 1.00 0.00 H ATOM 1005 N SER A 110 -8.862 17.606 -12.935 1.00 17.79 N ATOM 1006 CA SER A 110 -8.451 16.609 -13.941 1.00 17.59 C ATOM 1007 C SER A 110 -7.142 15.860 -13.563 1.00 15.78 C ATOM 1008 O SER A 110 -6.884 14.773 -14.106 1.00 18.03 O ATOM 1009 CB SER A 110 -8.237 17.307 -15.291 1.00 17.93 C ATOM 1010 OG SER A 110 -7.291 18.351 -15.206 1.00 19.56 O ATOM 1011 HG SER A 110 -6.422 17.983 -14.907 1.00 0.00 H ATOM 1012 H SER A 110 -8.201 18.371 -12.690 1.00 0.00 H ATOM 1013 N GLN A 111 -6.365 16.387 -12.603 1.00 17.85 N ATOM 1014 CA GLN A 111 -5.108 15.706 -12.270 1.00 18.38 C ATOM 1015 C GLN A 111 -5.346 14.382 -11.535 1.00 17.58 C ATOM 1016 O GLN A 111 -6.289 14.229 -10.705 1.00 16.92 O ATOM 1017 CB GLN A 111 -4.181 16.599 -11.446 1.00 17.44 C ATOM 1018 CG GLN A 111 -3.533 17.753 -12.172 1.00 18.28 C ATOM 1019 CD GLN A 111 -2.510 18.482 -11.292 1.00 19.02 C ATOM 1020 OE1 GLN A 111 -1.560 17.875 -10.774 1.00 23.48 O ATOM 1021 NE2 GLN A 111 -2.720 19.757 -11.103 1.00 20.06 N ATOM 1022 HE22 GLN A 111 -3.530 20.224 -11.558 1.00 0.00 H ATOM 1023 HE21 GLN A 111 -2.077 20.306 -10.497 1.00 0.00 H ATOM 1024 H GLN A 111 -6.647 17.257 -12.107 1.00 0.00 H ATOM 1025 N PHE A 112 -4.520 13.371 -11.854 1.00 17.32 N ATOM 1026 CA PHE A 112 -4.627 12.000 -11.389 1.00 15.19 C ATOM 1027 C PHE A 112 -3.191 11.482 -11.153 1.00 15.53 C ATOM 1028 O PHE A 112 -2.207 12.035 -11.677 1.00 17.28 O ATOM 1029 CB PHE A 112 -5.362 11.140 -12.418 1.00 18.00 C ATOM 1030 CG PHE A 112 -4.609 11.004 -13.730 1.00 17.05 C ATOM 1031 CD1 PHE A 112 -3.616 10.014 -13.900 1.00 20.16 C ATOM 1032 CD2 PHE A 112 -4.817 11.966 -14.746 1.00 17.82 C ATOM 1033 CE1 PHE A 112 -2.880 9.975 -15.077 1.00 19.66 C ATOM 1034 CE2 PHE A 112 -4.060 11.934 -15.922 1.00 21.07 C ATOM 1035 CZ PHE A 112 -3.095 10.938 -16.065 1.00 21.15 C ATOM 1036 H PHE A 112 -3.730 13.591 -12.494 1.00 0.00 H ATOM 1037 N PHE A 113 -3.111 10.374 -10.420 1.00 15.48 N ATOM 1038 CA PHE A 113 -1.850 9.595 -10.289 1.00 17.32 C ATOM 1039 C PHE A 113 -2.027 8.083 -10.411 1.00 17.76 C ATOM 1040 O PHE A 113 -3.142 7.487 -10.135 1.00 17.44 O ATOM 1041 CB PHE A 113 -1.074 10.004 -9.016 1.00 17.29 C ATOM 1042 CG PHE A 113 -1.800 9.703 -7.719 1.00 17.05 C ATOM 1043 CD1 PHE A 113 -2.795 10.561 -7.246 1.00 18.33 C ATOM 1044 CD2 PHE A 113 -1.484 8.593 -6.960 1.00 18.20 C ATOM 1045 CE1 PHE A 113 -3.450 10.295 -6.037 1.00 18.63 C ATOM 1046 CE2 PHE A 113 -2.137 8.321 -5.754 1.00 18.47 C ATOM 1047 CZ PHE A 113 -3.148 9.167 -5.305 1.00 19.48 C ATOM 1048 H PHE A 113 -3.960 10.041 -9.921 1.00 0.00 H ATOM 1049 N ILE A 114 -0.985 7.434 -10.927 1.00 17.34 N ATOM 1050 CA ILE A 114 -0.907 5.985 -11.019 1.00 17.77 C ATOM 1051 C ILE A 114 0.108 5.524 -9.959 1.00 16.82 C ATOM 1052 O ILE A 114 1.339 5.910 -10.055 1.00 19.21 O ATOM 1053 CB ILE A 114 -0.435 5.493 -12.436 1.00 18.83 C ATOM 1054 CG1 ILE A 114 -1.286 6.092 -13.585 1.00 20.60 C ATOM 1055 CG2 ILE A 114 -0.396 3.983 -12.505 1.00 20.67 C ATOM 1056 CD1 ILE A 114 -0.642 5.948 -14.977 1.00 20.36 C ATOM 1057 H ILE A 114 -0.184 7.994 -11.283 1.00 0.00 H ATOM 1058 N CYS A 115 -0.319 4.689 -9.012 1.00 18.99 N ATOM 1059 CA CYS A 115 0.585 4.213 -7.968 1.00 20.11 C ATOM 1060 C CYS A 115 1.588 3.203 -8.527 1.00 20.80 C ATOM 1061 O CYS A 115 1.257 2.356 -9.341 1.00 22.05 O ATOM 1062 CB CYS A 115 -0.188 3.573 -6.824 1.00 21.38 C ATOM 1063 SG CYS A 115 -1.371 4.681 -5.993 1.00 23.34 S ATOM 1064 H CYS A 115 -1.309 4.372 -9.016 1.00 0.00 H ATOM 1065 N THR A 116 2.834 3.296 -8.049 1.00 20.74 N ATOM 1066 CA THR A 116 3.859 2.284 -8.341 1.00 22.34 C ATOM 1067 C THR A 116 4.311 1.503 -7.057 1.00 22.79 C ATOM 1068 O THR A 116 5.258 0.711 -7.091 1.00 28.88 O ATOM 1069 CB THR A 116 5.056 2.894 -9.095 1.00 23.55 C ATOM 1070 OG1 THR A 116 5.599 3.982 -8.353 1.00 25.34 O ATOM 1071 CG2 THR A 116 4.603 3.412 -10.475 1.00 23.91 C ATOM 1072 HG1 THR A 116 6.367 4.366 -8.846 1.00 0.00 H ATOM 1073 H THR A 116 3.085 4.110 -7.452 1.00 0.00 H ATOM 1074 N ALA A 117 3.602 1.748 -5.959 1.00 24.57 N ATOM 1075 CA ALA A 117 3.760 1.144 -4.640 1.00 24.34 C ATOM 1076 C ALA A 117 2.424 1.273 -3.874 1.00 23.26 C ATOM 1077 O ALA A 117 1.525 1.947 -4.346 1.00 25.41 O ATOM 1078 CB ALA A 117 4.881 1.830 -3.862 1.00 28.12 C ATOM 1079 H ALA A 117 2.844 2.454 -6.051 1.00 0.00 H ATOM 1080 N LYS A 118 2.295 0.555 -2.766 1.00 24.83 N ATOM 1081 CA LYS A 118 1.178 0.723 -1.837 1.00 22.73 C ATOM 1082 C LYS A 118 1.316 2.091 -1.160 1.00 22.97 C ATOM 1083 O LYS A 118 2.392 2.428 -0.616 1.00 26.24 O ATOM 1084 CB LYS A 118 1.138 -0.443 -0.795 1.00 24.74 C ATOM 1085 CG LYS A 118 -0.087 -0.503 0.128 1.00 27.28 C ATOM 1086 CD LYS A 118 -0.001 -1.666 1.148 1.00 35.17 C ATOM 1087 CE LYS A 118 -1.203 -1.702 2.081 1.00 45.87 C ATOM 1088 NZ LYS A 118 -1.060 -2.733 3.153 1.00 59.65 N ATOM 1089 HZ1 LYS A 118 -0.962 -3.672 2.718 1.00 0.00 H ATOM 1090 HZ2 LYS A 118 -0.216 -2.524 3.723 1.00 0.00 H ATOM 1091 HZ3 LYS A 118 -1.903 -2.718 3.761 1.00 0.00 H ATOM 1092 H LYS A 118 3.020 -0.158 -2.548 1.00 0.00 H ATOM 1093 N THR A 119 0.223 2.876 -1.160 1.00 21.82 N ATOM 1094 CA THR A 119 0.222 4.279 -0.611 1.00 20.72 C ATOM 1095 C THR A 119 -0.955 4.417 0.379 1.00 20.20 C ATOM 1096 O THR A 119 -1.851 5.273 0.227 1.00 21.86 O ATOM 1097 CB THR A 119 0.206 5.329 -1.746 1.00 20.33 C ATOM 1098 OG1 THR A 119 -1.015 5.237 -2.494 1.00 21.17 O ATOM 1099 CG2 THR A 119 1.339 5.126 -2.700 1.00 22.65 C ATOM 1100 HG1 THR A 119 -1.783 5.401 -1.891 1.00 0.00 H ATOM 1101 H THR A 119 -0.661 2.497 -1.557 1.00 0.00 H ATOM 1102 N GLU A 120 -0.938 3.558 1.397 1.00 20.64 N ATOM 1103 CA GLU A 120 -2.100 3.448 2.340 1.00 23.20 C ATOM 1104 C GLU A 120 -2.437 4.728 3.119 1.00 20.09 C ATOM 1105 O GLU A 120 -3.612 4.995 3.505 1.00 22.34 O ATOM 1106 CB GLU A 120 -1.866 2.233 3.291 1.00 25.62 C ATOM 1107 CG GLU A 120 -0.763 2.434 4.306 1.00 29.96 C ATOM 1108 CD GLU A 120 0.714 2.247 3.811 1.00 38.02 C ATOM 1109 OE1 GLU A 120 1.033 1.821 2.649 1.00 36.23 O ATOM 1110 OE2 GLU A 120 1.601 2.549 4.645 1.00 49.73 O ATOM 1111 H GLU A 120 -0.105 2.953 1.541 1.00 0.00 H ATOM 1112 N TRP A 121 -1.437 5.564 3.347 1.00 20.08 N ATOM 1113 CA TRP A 121 -1.627 6.885 4.012 1.00 19.93 C ATOM 1114 C TRP A 121 -2.560 7.864 3.223 1.00 18.47 C ATOM 1115 O TRP A 121 -2.974 8.891 3.787 1.00 22.43 O ATOM 1116 CB TRP A 121 -0.297 7.548 4.444 1.00 22.50 C ATOM 1117 CG TRP A 121 0.484 8.006 3.234 1.00 21.36 C ATOM 1118 CD1 TRP A 121 0.415 9.216 2.592 1.00 23.12 C ATOM 1119 CD2 TRP A 121 1.413 7.211 2.501 1.00 21.73 C ATOM 1120 NE1 TRP A 121 1.230 9.207 1.499 1.00 23.14 N ATOM 1121 CE2 TRP A 121 1.848 7.985 1.414 1.00 22.16 C ATOM 1122 CE3 TRP A 121 1.889 5.890 2.646 1.00 24.22 C ATOM 1123 CZ2 TRP A 121 2.780 7.493 0.469 1.00 25.25 C ATOM 1124 CZ3 TRP A 121 2.844 5.409 1.729 1.00 27.58 C ATOM 1125 CH2 TRP A 121 3.238 6.192 0.646 1.00 25.27 C ATOM 1126 HE1 TRP A 121 1.362 9.998 0.837 1.00 0.00 H ATOM 1127 H TRP A 121 -0.479 5.288 3.050 1.00 0.00 H ATOM 1128 N LEU A 122 -2.809 7.549 1.938 1.00 19.12 N ATOM 1129 CA LEU A 122 -3.727 8.348 1.095 1.00 18.05 C ATOM 1130 C LEU A 122 -5.203 7.851 1.206 1.00 17.92 C ATOM 1131 O LEU A 122 -6.103 8.531 0.681 1.00 18.54 O ATOM 1132 CB LEU A 122 -3.260 8.365 -0.367 1.00 18.63 C ATOM 1133 CG LEU A 122 -1.799 8.864 -0.581 1.00 19.25 C ATOM 1134 CD1 LEU A 122 -1.465 8.814 -2.059 1.00 22.69 C ATOM 1135 CD2 LEU A 122 -1.656 10.282 -0.058 1.00 19.94 C ATOM 1136 H LEU A 122 -2.341 6.717 1.524 1.00 0.00 H ATOM 1137 N ASP A 123 -5.421 6.720 1.879 1.00 18.03 N ATOM 1138 CA ASP A 123 -6.785 6.140 2.048 1.00 20.01 C ATOM 1139 C ASP A 123 -7.671 7.141 2.753 1.00 19.11 C ATOM 1140 O ASP A 123 -7.298 7.761 3.758 1.00 21.06 O ATOM 1141 CB ASP A 123 -6.735 4.810 2.801 1.00 21.85 C ATOM 1142 CG ASP A 123 -6.146 3.656 1.964 1.00 21.04 C ATOM 1143 OD1 ASP A 123 -5.885 3.842 0.746 1.00 21.81 O ATOM 1144 OD2 ASP A 123 -5.918 2.539 2.555 1.00 24.47 O ATOM 1145 H ASP A 123 -4.610 6.224 2.301 1.00 0.00 H ATOM 1146 N GLY A 124 -8.873 7.331 2.201 1.00 18.74 N ATOM 1147 CA GLY A 124 -9.814 8.263 2.834 1.00 20.33 C ATOM 1148 C GLY A 124 -9.587 9.764 2.572 1.00 19.95 C ATOM 1149 O GLY A 124 -10.345 10.586 3.062 1.00 21.48 O ATOM 1150 H GLY A 124 -9.139 6.824 1.333 1.00 0.00 H ATOM 1151 N LYS A 125 -8.504 10.141 1.831 1.00 18.65 N ATOM 1152 CA LYS A 125 -8.151 11.513 1.435 1.00 21.15 C ATOM 1153 C LYS A 125 -8.169 11.723 -0.124 1.00 17.16 C ATOM 1154 O LYS A 125 -8.443 12.826 -0.611 1.00 18.95 O ATOM 1155 CB LYS A 125 -6.675 11.728 2.005 1.00 27.42 C ATOM 1156 CG LYS A 125 -6.045 13.045 1.765 1.00 31.89 C ATOM 1157 CD LYS A 125 -4.864 13.296 2.678 1.00 29.84 C ATOM 1158 CE LYS A 125 -3.627 12.572 2.231 1.00 32.03 C ATOM 1159 NZ LYS A 125 -2.479 13.335 2.807 1.00 39.17 N ATOM 1160 HZ1 LYS A 125 -2.497 14.310 2.447 1.00 0.00 H ATOM 1161 HZ2 LYS A 125 -2.557 13.346 3.844 1.00 0.00 H ATOM 1162 HZ3 LYS A 125 -1.587 12.878 2.530 1.00 0.00 H ATOM 1163 H LYS A 125 -7.865 9.383 1.515 1.00 0.00 H ATOM 1164 N HIS A 126 -7.844 10.674 -0.899 1.00 17.67 N ATOM 1165 CA HIS A 126 -7.854 10.702 -2.385 1.00 17.51 C ATOM 1166 C HIS A 126 -8.813 9.616 -2.875 1.00 17.92 C ATOM 1167 O HIS A 126 -8.802 8.497 -2.354 1.00 18.11 O ATOM 1168 CB HIS A 126 -6.416 10.431 -2.948 1.00 17.51 C ATOM 1169 CG HIS A 126 -5.450 11.531 -2.614 1.00 16.82 C ATOM 1170 ND1 HIS A 126 -5.224 12.616 -3.443 1.00 17.05 N ATOM 1171 CD2 HIS A 126 -4.731 11.766 -1.491 1.00 18.99 C ATOM 1172 CE1 HIS A 126 -4.383 13.453 -2.839 1.00 17.75 C ATOM 1173 NE2 HIS A 126 -4.090 12.967 -1.651 1.00 18.31 N ATOM 1174 H HIS A 126 -7.568 9.788 -0.430 1.00 0.00 H ATOM 1175 N VAL A 127 -9.636 9.970 -3.862 1.00 17.16 N ATOM 1176 CA VAL A 127 -10.662 9.062 -4.395 1.00 18.12 C ATOM 1177 C VAL A 127 -10.036 8.100 -5.454 1.00 16.33 C ATOM 1178 O VAL A 127 -9.602 8.526 -6.544 1.00 18.18 O ATOM 1179 CB VAL A 127 -11.842 9.843 -5.023 1.00 18.78 C ATOM 1180 CG1 VAL A 127 -12.838 8.893 -5.710 1.00 18.28 C ATOM 1181 CG2 VAL A 127 -12.538 10.722 -3.972 1.00 19.07 C ATOM 1182 H VAL A 127 -9.549 10.923 -4.270 1.00 0.00 H ATOM 1183 N VAL A 128 -9.972 6.832 -5.097 1.00 16.46 N ATOM 1184 CA VAL A 128 -9.567 5.689 -6.026 1.00 17.11 C ATOM 1185 C VAL A 128 -10.725 5.414 -6.996 1.00 17.84 C ATOM 1186 O VAL A 128 -11.896 5.207 -6.525 1.00 20.11 O ATOM 1187 CB VAL A 128 -9.162 4.457 -5.211 1.00 19.04 C ATOM 1188 CG1 VAL A 128 -8.920 3.246 -6.160 1.00 21.28 C ATOM 1189 CG2 VAL A 128 -7.923 4.798 -4.355 1.00 20.53 C ATOM 1190 H VAL A 128 -10.214 6.594 -4.114 1.00 0.00 H ATOM 1191 N PHE A 129 -10.456 5.331 -8.302 1.00 18.30 N ATOM 1192 CA PHE A 129 -11.527 5.137 -9.321 1.00 18.83 C ATOM 1193 C PHE A 129 -11.187 4.178 -10.475 1.00 20.10 C ATOM 1194 O PHE A 129 -12.024 3.984 -11.358 1.00 20.70 O ATOM 1195 CB PHE A 129 -12.004 6.497 -9.849 1.00 19.35 C ATOM 1196 CG PHE A 129 -10.952 7.212 -10.669 1.00 19.18 C ATOM 1197 CD1 PHE A 129 -10.013 8.061 -10.067 1.00 20.06 C ATOM 1198 CD2 PHE A 129 -10.938 7.082 -12.051 1.00 19.22 C ATOM 1199 CE1 PHE A 129 -9.025 8.699 -10.820 1.00 18.19 C ATOM 1200 CE2 PHE A 129 -9.976 7.747 -12.832 1.00 21.05 C ATOM 1201 CZ PHE A 129 -9.024 8.555 -12.203 1.00 19.47 C ATOM 1202 H PHE A 129 -9.468 5.404 -8.618 1.00 0.00 H ATOM 1203 N GLY A 130 -9.960 3.612 -10.504 1.00 20.08 N ATOM 1204 CA GLY A 130 -9.646 2.599 -11.517 1.00 21.17 C ATOM 1205 C GLY A 130 -8.344 1.880 -11.247 1.00 18.74 C ATOM 1206 O GLY A 130 -7.747 2.091 -10.174 1.00 20.79 O ATOM 1207 H GLY A 130 -9.240 3.894 -9.809 1.00 0.00 H ATOM 1208 N LYS A 131 -7.917 1.065 -12.207 1.00 20.40 N ATOM 1209 CA LYS A 131 -6.612 0.366 -12.130 1.00 22.16 C ATOM 1210 C LYS A 131 -6.085 0.090 -13.546 1.00 22.75 C ATOM 1211 O LYS A 131 -6.858 -0.071 -14.501 1.00 23.43 O ATOM 1212 CB LYS A 131 -6.749 -0.961 -11.362 1.00 24.09 C ATOM 1213 CG LYS A 131 -7.536 -2.038 -12.128 1.00 29.84 C ATOM 1214 CD LYS A 131 -7.614 -3.387 -11.417 1.00 40.03 C ATOM 1215 CE LYS A 131 -8.706 -4.229 -12.059 1.00 47.12 C ATOM 1216 NZ LYS A 131 -8.631 -5.650 -11.603 1.00 63.39 N ATOM 1217 HZ1 LYS A 131 -7.707 -6.049 -11.865 1.00 0.00 H ATOM 1218 HZ2 LYS A 131 -8.746 -5.688 -10.570 1.00 0.00 H ATOM 1219 HZ3 LYS A 131 -9.388 -6.199 -12.058 1.00 0.00 H ATOM 1220 H LYS A 131 -8.520 0.913 -13.041 1.00 0.00 H ATOM 1221 N VAL A 132 -4.764 -0.011 -13.663 1.00 20.70 N ATOM 1222 CA VAL A 132 -4.138 -0.462 -14.895 1.00 22.12 C ATOM 1223 C VAL A 132 -4.587 -1.905 -15.207 1.00 23.34 C ATOM 1224 O VAL A 132 -4.571 -2.794 -14.321 1.00 25.25 O ATOM 1225 CB VAL A 132 -2.579 -0.418 -14.766 1.00 21.05 C ATOM 1226 CG1 VAL A 132 -1.909 -1.082 -15.969 1.00 24.47 C ATOM 1227 CG2 VAL A 132 -2.119 1.002 -14.589 1.00 22.49 C ATOM 1228 H VAL A 132 -4.163 0.239 -12.852 1.00 0.00 H ATOM 1229 N LYS A 133 -5.044 -2.075 -16.460 1.00 25.02 N ATOM 1230 CA LYS A 133 -5.457 -3.352 -17.084 1.00 28.38 C ATOM 1231 C LYS A 133 -4.297 -3.973 -17.839 1.00 28.32 C ATOM 1232 O LYS A 133 -3.937 -5.064 -17.535 1.00 35.96 O ATOM 1233 CB LYS A 133 -6.690 -3.079 -17.997 1.00 32.45 C ATOM 1234 CG LYS A 133 -7.428 -4.267 -18.572 1.00 39.52 C ATOM 1235 CD LYS A 133 -8.731 -3.791 -19.233 1.00 45.11 C ATOM 1236 CE LYS A 133 -9.908 -4.734 -19.008 1.00 57.27 C ATOM 1237 NZ LYS A 133 -11.215 -4.016 -19.060 1.00 68.70 N ATOM 1238 HZ1 LYS A 133 -11.237 -3.285 -18.321 1.00 0.00 H ATOM 1239 HZ2 LYS A 133 -11.328 -3.571 -19.993 1.00 0.00 H ATOM 1240 HZ3 LYS A 133 -11.988 -4.694 -18.902 1.00 0.00 H ATOM 1241 H LYS A 133 -5.114 -1.222 -17.051 1.00 0.00 H ATOM 1242 N GLU A 134 -3.810 -3.305 -18.878 1.00 28.47 N ATOM 1243 CA GLU A 134 -2.645 -3.741 -19.655 1.00 26.11 C ATOM 1244 C GLU A 134 -1.589 -2.676 -19.669 1.00 26.47 C ATOM 1245 O GLU A 134 -1.894 -1.491 -19.554 1.00 24.79 O ATOM 1246 CB GLU A 134 -3.032 -4.063 -21.103 1.00 34.05 C ATOM 1247 CG GLU A 134 -4.127 -5.102 -21.185 1.00 42.51 C ATOM 1248 CD GLU A 134 -4.285 -5.629 -22.578 1.00 49.18 C ATOM 1249 OE1 GLU A 134 -5.001 -4.983 -23.384 1.00 49.96 O ATOM 1250 OE2 GLU A 134 -3.717 -6.711 -22.837 1.00 39.21 O ATOM 1251 H GLU A 134 -4.282 -2.421 -19.157 1.00 0.00 H ATOM 1252 N GLY A 135 -0.328 -3.082 -19.803 1.00 25.28 N ATOM 1253 CA GLY A 135 0.722 -2.103 -19.906 1.00 24.43 C ATOM 1254 C GLY A 135 1.377 -1.660 -18.606 1.00 24.33 C ATOM 1255 O GLY A 135 2.017 -0.622 -18.612 1.00 23.93 O ATOM 1256 H GLY A 135 -0.104 -4.097 -19.833 1.00 0.00 H ATOM 1257 N MET A 136 1.299 -2.430 -17.513 1.00 23.94 N ATOM 1258 CA MET A 136 2.058 -2.044 -16.296 1.00 24.82 C ATOM 1259 C MET A 136 3.572 -2.035 -16.599 1.00 23.23 C ATOM 1260 O MET A 136 4.298 -1.265 -15.970 1.00 23.35 O ATOM 1261 CB MET A 136 1.780 -2.977 -15.112 1.00 25.86 C ATOM 1262 CG MET A 136 2.177 -2.403 -13.782 1.00 30.27 C ATOM 1263 SD MET A 136 1.288 -0.910 -13.268 1.00 28.59 S ATOM 1264 CE MET A 136 2.539 -0.250 -12.148 1.00 32.81 C ATOM 1265 H MET A 136 0.713 -3.289 -17.516 1.00 0.00 H ATOM 1266 N ASN A 137 4.023 -2.853 -17.557 1.00 23.28 N ATOM 1267 CA ASN A 137 5.452 -2.787 -18.023 1.00 22.04 C ATOM 1268 C ASN A 137 5.807 -1.406 -18.590 1.00 21.77 C ATOM 1269 O ASN A 137 6.951 -0.910 -18.449 1.00 25.00 O ATOM 1270 CB ASN A 137 5.752 -3.904 -19.043 1.00 23.31 C ATOM 1271 CG ASN A 137 4.824 -3.857 -20.274 1.00 24.30 C ATOM 1272 OD1 ASN A 137 3.580 -3.863 -20.144 1.00 25.64 O ATOM 1273 ND2 ASN A 137 5.403 -3.884 -21.476 1.00 25.97 N ATOM 1274 HD22 ASN A 137 6.440 -3.878 -21.554 1.00 0.00 H ATOM 1275 HD21 ASN A 137 4.817 -3.911 -22.335 1.00 0.00 H ATOM 1276 H ASN A 137 3.376 -3.545 -17.986 1.00 0.00 H ATOM 1277 N ILE A 138 4.841 -0.782 -19.255 1.00 22.01 N ATOM 1278 CA ILE A 138 5.015 0.572 -19.777 1.00 21.96 C ATOM 1279 C ILE A 138 5.064 1.638 -18.655 1.00 20.95 C ATOM 1280 O ILE A 138 5.887 2.557 -18.683 1.00 22.36 O ATOM 1281 CB ILE A 138 3.934 0.900 -20.873 1.00 21.12 C ATOM 1282 CG1 ILE A 138 4.012 -0.097 -22.051 1.00 21.30 C ATOM 1283 CG2 ILE A 138 4.034 2.339 -21.400 1.00 20.50 C ATOM 1284 CD1 ILE A 138 5.355 -0.254 -22.720 1.00 23.14 C ATOM 1285 H ILE A 138 3.936 -1.271 -19.408 1.00 0.00 H ATOM 1286 N VAL A 139 4.197 1.477 -17.641 1.00 21.10 N ATOM 1287 CA VAL A 139 4.264 2.360 -16.472 1.00 19.86 C ATOM 1288 C VAL A 139 5.658 2.236 -15.794 1.00 21.56 C ATOM 1289 O VAL A 139 6.241 3.243 -15.355 1.00 23.92 O ATOM 1290 CB VAL A 139 3.126 2.075 -15.472 1.00 21.09 C ATOM 1291 CG1 VAL A 139 3.257 2.935 -14.207 1.00 22.75 C ATOM 1292 CG2 VAL A 139 1.746 2.331 -16.131 1.00 23.01 C ATOM 1293 H VAL A 139 3.479 0.726 -17.685 1.00 0.00 H ATOM 1294 N GLU A 140 6.160 1.018 -15.645 1.00 22.37 N ATOM 1295 CA GLU A 140 7.522 0.826 -15.021 1.00 22.46 C ATOM 1296 C GLU A 140 8.626 1.449 -15.857 1.00 23.96 C ATOM 1297 O GLU A 140 9.567 2.011 -15.303 1.00 25.03 O ATOM 1298 CB GLU A 140 7.790 -0.658 -14.823 1.00 27.81 C ATOM 1299 CG GLU A 140 6.877 -1.292 -13.785 1.00 28.77 C ATOM 1300 CD GLU A 140 6.824 -2.805 -13.866 1.00 32.32 C ATOM 1301 OE1 GLU A 140 7.530 -3.397 -14.736 1.00 40.34 O ATOM 1302 OE2 GLU A 140 6.095 -3.410 -13.050 1.00 35.00 O ATOM 1303 H GLU A 140 5.613 0.191 -15.959 1.00 0.00 H ATOM 1304 N ALA A 141 8.490 1.392 -17.170 1.00 23.79 N ATOM 1305 CA ALA A 141 9.434 2.099 -18.072 1.00 24.15 C ATOM 1306 C ALA A 141 9.375 3.651 -17.901 1.00 24.24 C ATOM 1307 O ALA A 141 10.406 4.309 -17.839 1.00 26.24 O ATOM 1308 CB ALA A 141 9.231 1.666 -19.520 1.00 24.22 C ATOM 1309 H ALA A 141 7.708 0.842 -17.579 1.00 0.00 H ATOM 1310 N MET A 142 8.164 4.226 -17.774 1.00 23.09 N ATOM 1311 CA MET A 142 7.978 5.634 -17.517 1.00 24.13 C ATOM 1312 C MET A 142 8.635 6.039 -16.191 1.00 23.83 C ATOM 1313 O MET A 142 9.241 7.087 -16.091 1.00 23.87 O ATOM 1314 CB MET A 142 6.454 5.950 -17.348 1.00 24.43 C ATOM 1315 CG MET A 142 5.676 5.862 -18.594 1.00 25.41 C ATOM 1316 SD MET A 142 3.876 5.877 -18.358 1.00 27.99 S ATOM 1317 CE MET A 142 3.673 7.373 -17.438 1.00 29.31 C ATOM 1318 H MET A 142 7.320 3.625 -17.866 1.00 0.00 H ATOM 1319 N GLU A 143 8.459 5.197 -15.166 1.00 23.07 N ATOM 1320 CA GLU A 143 8.920 5.480 -13.807 1.00 25.78 C ATOM 1321 C GLU A 143 10.447 5.690 -13.794 1.00 23.37 C ATOM 1322 O GLU A 143 10.932 6.542 -13.034 1.00 24.46 O ATOM 1323 CB GLU A 143 8.460 4.324 -12.870 1.00 27.67 C ATOM 1324 CG GLU A 143 8.711 4.451 -11.386 1.00 29.17 C ATOM 1325 CD GLU A 143 8.368 3.176 -10.597 1.00 26.74 C ATOM 1326 OE1 GLU A 143 8.245 2.040 -11.172 1.00 33.68 O ATOM 1327 OE2 GLU A 143 8.239 3.301 -9.365 1.00 31.10 O ATOM 1328 H GLU A 143 7.970 4.297 -15.345 1.00 0.00 H ATOM 1329 N ARG A 144 11.179 4.989 -14.670 1.00 24.50 N ATOM 1330 CA ARG A 144 12.652 5.117 -14.742 1.00 25.26 C ATOM 1331 C ARG A 144 13.121 6.490 -15.205 1.00 24.23 C ATOM 1332 O ARG A 144 14.295 6.849 -15.010 1.00 30.43 O ATOM 1333 CB ARG A 144 13.240 4.024 -15.639 1.00 27.99 C ATOM 1334 CG ARG A 144 13.242 2.668 -14.953 1.00 31.61 C ATOM 1335 CD ARG A 144 13.717 1.525 -15.837 1.00 35.47 C ATOM 1336 NE ARG A 144 13.428 0.233 -15.219 1.00 39.45 N ATOM 1337 CZ ARG A 144 12.576 -0.664 -15.717 1.00 43.30 C ATOM 1338 NH1 ARG A 144 12.366 -1.802 -15.077 1.00 50.87 N ATOM 1339 NH2 ARG A 144 11.942 -0.432 -16.864 1.00 42.42 N ATOM 1340 HE ARG A 144 13.919 -0.003 -14.333 1.00 0.00 H ATOM 1341 HH12 ARG A 144 11.702 -2.502 -15.465 1.00 0.00 H ATOM 1342 HH11 ARG A 144 12.865 -1.997 -14.186 1.00 0.00 H ATOM 1343 HH22 ARG A 144 11.279 -1.138 -17.244 1.00 0.00 H ATOM 1344 HH21 ARG A 144 12.109 0.455 -17.380 1.00 0.00 H ATOM 1345 H ARG A 144 10.698 4.335 -15.319 1.00 0.00 H ATOM 1346 N PHE A 145 12.221 7.285 -15.813 1.00 23.83 N ATOM 1347 CA PHE A 145 12.513 8.685 -16.167 1.00 24.83 C ATOM 1348 C PHE A 145 12.251 9.724 -15.050 1.00 23.15 C ATOM 1349 O PHE A 145 12.473 10.910 -15.240 1.00 25.24 O ATOM 1350 CB PHE A 145 11.805 9.069 -17.475 1.00 25.18 C ATOM 1351 CG PHE A 145 12.267 8.262 -18.659 1.00 24.60 C ATOM 1352 CD1 PHE A 145 13.525 8.498 -19.208 1.00 31.81 C ATOM 1353 CD2 PHE A 145 11.497 7.219 -19.194 1.00 26.14 C ATOM 1354 CE1 PHE A 145 13.971 7.768 -20.297 1.00 32.84 C ATOM 1355 CE2 PHE A 145 11.935 6.497 -20.289 1.00 27.45 C ATOM 1356 CZ PHE A 145 13.199 6.748 -20.827 1.00 29.10 C ATOM 1357 H PHE A 145 11.284 6.896 -16.042 1.00 0.00 H ATOM 1358 N GLY A 146 11.774 9.269 -13.900 1.00 22.68 N ATOM 1359 CA GLY A 146 11.541 10.163 -12.764 1.00 22.61 C ATOM 1360 C GLY A 146 12.786 10.350 -11.888 1.00 22.78 C ATOM 1361 O GLY A 146 13.930 9.960 -12.253 1.00 25.38 O ATOM 1362 H GLY A 146 11.561 8.256 -13.803 1.00 0.00 H ATOM 1363 N SER A 147 12.570 11.000 -10.751 1.00 22.56 N ATOM 1364 CA SER A 147 13.643 11.301 -9.790 1.00 21.03 C ATOM 1365 C SER A 147 13.083 11.488 -8.391 1.00 20.91 C ATOM 1366 O SER A 147 11.826 11.549 -8.202 1.00 20.91 O ATOM 1367 CB SER A 147 14.385 12.583 -10.264 1.00 25.08 C ATOM 1368 OG SER A 147 13.606 13.776 -10.153 1.00 28.82 O ATOM 1369 HG SER A 147 14.139 14.547 -10.471 1.00 0.00 H ATOM 1370 H SER A 147 11.602 11.309 -10.530 1.00 0.00 H ATOM 1371 N ARG A 148 13.950 11.627 -7.399 1.00 21.26 N ATOM 1372 CA ARG A 148 13.498 11.770 -5.973 1.00 22.09 C ATOM 1373 C ARG A 148 12.558 12.970 -5.773 1.00 21.26 C ATOM 1374 O ARG A 148 11.546 12.843 -5.059 1.00 22.15 O ATOM 1375 CB ARG A 148 14.679 11.856 -4.991 1.00 21.11 C ATOM 1376 CG ARG A 148 15.410 10.515 -4.777 1.00 23.09 C ATOM 1377 CD ARG A 148 14.667 9.442 -3.966 1.00 22.57 C ATOM 1378 NE ARG A 148 14.130 9.991 -2.731 1.00 22.37 N ATOM 1379 CZ ARG A 148 14.802 10.096 -1.582 1.00 19.82 C ATOM 1380 NH1 ARG A 148 16.111 9.722 -1.459 1.00 21.78 N ATOM 1381 NH2 ARG A 148 14.214 10.654 -0.521 1.00 20.55 N ATOM 1382 HE ARG A 148 13.146 10.328 -2.744 1.00 0.00 H ATOM 1383 HH12 ARG A 148 16.596 9.821 -0.545 1.00 0.00 H ATOM 1384 HH11 ARG A 148 16.622 9.338 -2.280 1.00 0.00 H ATOM 1385 HH22 ARG A 148 14.733 10.738 0.376 1.00 0.00 H ATOM 1386 HH21 ARG A 148 13.237 11.004 -0.592 1.00 0.00 H ATOM 1387 H ARG A 148 14.968 11.637 -7.612 1.00 0.00 H ATOM 1388 N ASN A 149 12.855 14.099 -6.424 1.00 22.00 N ATOM 1389 CA ASN A 149 12.067 15.356 -6.321 1.00 24.84 C ATOM 1390 C ASN A 149 10.866 15.404 -7.313 1.00 23.55 C ATOM 1391 O ASN A 149 10.040 16.307 -7.249 1.00 26.14 O ATOM 1392 CB ASN A 149 12.945 16.628 -6.380 1.00 26.60 C ATOM 1393 CG ASN A 149 13.555 16.908 -7.742 1.00 27.79 C ATOM 1394 OD1 ASN A 149 13.034 16.534 -8.738 1.00 28.43 O ATOM 1395 ND2 ASN A 149 14.709 17.612 -7.755 1.00 32.07 N ATOM 1396 HD22 ASN A 149 15.138 17.924 -6.860 1.00 0.00 H ATOM 1397 HD21 ASN A 149 15.168 17.842 -8.660 1.00 0.00 H ATOM 1398 H ASN A 149 13.691 14.098 -7.042 1.00 0.00 H ATOM 1399 N GLY A 150 10.806 14.427 -8.208 1.00 22.26 N ATOM 1400 CA GLY A 150 9.705 14.263 -9.190 1.00 20.69 C ATOM 1401 C GLY A 150 9.951 14.852 -10.584 1.00 22.12 C ATOM 1402 O GLY A 150 9.186 14.578 -11.506 1.00 21.53 O ATOM 1403 H GLY A 150 11.579 13.732 -8.223 1.00 0.00 H ATOM 1404 N LYS A 151 11.043 15.615 -10.789 1.00 23.23 N ATOM 1405 CA LYS A 151 11.357 16.197 -12.092 1.00 23.07 C ATOM 1406 C LYS A 151 11.759 15.044 -13.032 1.00 23.89 C ATOM 1407 O LYS A 151 12.492 14.130 -12.649 1.00 23.51 O ATOM 1408 CB LYS A 151 12.484 17.262 -11.958 1.00 26.73 C ATOM 1409 CG LYS A 151 12.785 17.994 -13.257 1.00 30.61 C ATOM 1410 CD LYS A 151 13.737 19.158 -13.059 1.00 34.12 C ATOM 1411 CE LYS A 151 13.887 19.948 -14.346 1.00 40.75 C ATOM 1412 NZ LYS A 151 14.375 19.111 -15.475 1.00 47.14 N ATOM 1413 HZ1 LYS A 151 15.305 18.713 -15.233 1.00 0.00 H ATOM 1414 HZ2 LYS A 151 13.700 18.339 -15.649 1.00 0.00 H ATOM 1415 HZ3 LYS A 151 14.460 19.698 -16.329 1.00 0.00 H ATOM 1416 H LYS A 151 11.685 15.796 -9.991 1.00 0.00 H ATOM 1417 N THR A 152 11.233 15.042 -14.249 1.00 24.83 N ATOM 1418 CA THR A 152 11.564 13.992 -15.214 1.00 25.12 C ATOM 1419 C THR A 152 12.793 14.377 -16.073 1.00 26.55 C ATOM 1420 O THR A 152 13.007 15.546 -16.391 1.00 27.89 O ATOM 1421 CB THR A 152 10.374 13.669 -16.121 1.00 25.44 C ATOM 1422 OG1 THR A 152 10.037 14.822 -16.919 1.00 28.09 O ATOM 1423 CG2 THR A 152 9.176 13.286 -15.258 1.00 25.30 C ATOM 1424 HG1 THR A 152 9.267 14.605 -17.502 1.00 0.00 H ATOM 1425 H THR A 152 10.574 15.799 -14.523 1.00 0.00 H ATOM 1426 N SER A 153 13.557 13.370 -16.486 1.00 25.51 N ATOM 1427 CA SER A 153 14.796 13.608 -17.256 1.00 26.40 C ATOM 1428 C SER A 153 14.552 13.655 -18.788 1.00 28.14 C ATOM 1429 O SER A 153 15.448 14.039 -19.561 1.00 30.79 O ATOM 1430 CB SER A 153 15.822 12.534 -16.894 1.00 32.75 C ATOM 1431 OG SER A 153 15.344 11.217 -17.204 1.00 31.05 O ATOM 1432 HG SER A 153 15.157 11.155 -18.174 1.00 0.00 H ATOM 1433 H SER A 153 13.277 12.394 -16.262 1.00 0.00 H ATOM 1434 N LYS A 154 13.336 13.262 -19.215 1.00 27.40 N ATOM 1435 CA LYS A 154 12.855 13.417 -20.574 1.00 26.50 C ATOM 1436 C LYS A 154 11.364 13.681 -20.443 1.00 25.18 C ATOM 1437 O LYS A 154 10.750 13.397 -19.389 1.00 25.81 O ATOM 1438 CB LYS A 154 13.097 12.135 -21.426 1.00 28.68 C ATOM 1439 CG LYS A 154 14.569 11.856 -21.694 1.00 31.83 C ATOM 1440 CD LYS A 154 14.835 10.796 -22.753 1.00 37.25 C ATOM 1441 CE LYS A 154 16.339 10.529 -22.936 1.00 46.23 C ATOM 1442 NZ LYS A 154 17.020 11.719 -23.508 1.00 61.02 N ATOM 1443 HZ1 LYS A 154 16.604 11.943 -24.434 1.00 0.00 H ATOM 1444 HZ2 LYS A 154 16.898 12.528 -22.866 1.00 0.00 H ATOM 1445 HZ3 LYS A 154 18.033 11.515 -23.622 1.00 0.00 H ATOM 1446 H LYS A 154 12.699 12.817 -18.523 1.00 0.00 H ATOM 1447 N LYS A 155 10.804 14.261 -21.492 1.00 25.13 N ATOM 1448 CA LYS A 155 9.400 14.672 -21.489 1.00 25.01 C ATOM 1449 C LYS A 155 8.487 13.481 -21.744 1.00 25.14 C ATOM 1450 O LYS A 155 8.574 12.840 -22.815 1.00 25.37 O ATOM 1451 CB LYS A 155 9.178 15.715 -22.585 1.00 29.38 C ATOM 1452 CG LYS A 155 7.775 16.294 -22.648 1.00 37.43 C ATOM 1453 CD LYS A 155 7.537 17.227 -21.488 1.00 48.13 C ATOM 1454 CE LYS A 155 6.289 18.055 -21.712 1.00 56.91 C ATOM 1455 NZ LYS A 155 5.866 18.709 -20.446 1.00 67.79 N ATOM 1456 HZ1 LYS A 155 5.666 17.981 -19.731 1.00 0.00 H ATOM 1457 HZ2 LYS A 155 6.628 19.330 -20.106 1.00 0.00 H ATOM 1458 HZ3 LYS A 155 5.009 19.273 -20.618 1.00 0.00 H ATOM 1459 H LYS A 155 11.378 14.429 -22.343 1.00 0.00 H ATOM 1460 N ILE A 156 7.573 13.217 -20.799 1.00 24.09 N ATOM 1461 CA ILE A 156 6.722 12.019 -20.865 1.00 24.40 C ATOM 1462 C ILE A 156 5.285 12.458 -21.201 1.00 24.01 C ATOM 1463 O ILE A 156 4.668 13.116 -20.376 1.00 26.42 O ATOM 1464 CB ILE A 156 6.738 11.187 -19.538 1.00 23.99 C ATOM 1465 CG1 ILE A 156 8.192 10.898 -19.050 1.00 25.31 C ATOM 1466 CG2 ILE A 156 5.889 9.927 -19.670 1.00 25.35 C ATOM 1467 CD1 ILE A 156 9.025 10.081 -19.985 1.00 27.33 C ATOM 1468 H ILE A 156 7.463 13.875 -20.001 1.00 0.00 H ATOM 1469 N THR A 157 4.788 12.133 -22.406 1.00 22.42 N ATOM 1470 CA THR A 157 3.533 12.726 -22.922 1.00 22.50 C ATOM 1471 C THR A 157 2.522 11.685 -23.269 1.00 21.76 C ATOM 1472 O THR A 157 2.868 10.537 -23.609 1.00 22.22 O ATOM 1473 CB THR A 157 3.787 13.610 -24.181 1.00 30.51 C ATOM 1474 OG1 THR A 157 4.392 12.833 -25.234 1.00 31.27 O ATOM 1475 CG2 THR A 157 4.710 14.715 -23.826 1.00 27.83 C ATOM 1476 HG1 THR A 157 4.545 13.411 -26.023 1.00 0.00 H ATOM 1477 H THR A 157 5.300 11.445 -22.994 1.00 0.00 H ATOM 1478 N ILE A 158 1.247 12.082 -23.133 1.00 22.58 N ATOM 1479 CA ILE A 158 0.104 11.303 -23.668 1.00 22.09 C ATOM 1480 C ILE A 158 -0.094 11.688 -25.149 1.00 23.63 C ATOM 1481 O ILE A 158 -0.741 12.689 -25.464 1.00 26.38 O ATOM 1482 CB ILE A 158 -1.157 11.603 -22.849 1.00 21.83 C ATOM 1483 CG1 ILE A 158 -0.961 11.250 -21.367 1.00 23.98 C ATOM 1484 CG2 ILE A 158 -2.348 10.828 -23.431 1.00 24.62 C ATOM 1485 CD1 ILE A 158 -2.166 11.572 -20.467 1.00 24.28 C ATOM 1486 H ILE A 158 1.053 12.972 -22.632 1.00 0.00 H ATOM 1487 N ALA A 159 0.535 10.938 -26.068 1.00 23.57 N ATOM 1488 CA ALA A 159 0.492 11.285 -27.508 1.00 24.14 C ATOM 1489 C ALA A 159 -0.888 11.069 -28.086 1.00 25.97 C ATOM 1490 O ALA A 159 -1.290 11.803 -28.985 1.00 28.88 O ATOM 1491 CB ALA A 159 1.532 10.526 -28.293 1.00 26.40 C ATOM 1492 H ALA A 159 1.063 10.096 -25.763 1.00 0.00 H ATOM 1493 N ASP A 160 -1.586 10.054 -27.602 1.00 25.21 N ATOM 1494 CA ASP A 160 -2.998 9.851 -27.995 1.00 24.49 C ATOM 1495 C ASP A 160 -3.701 9.165 -26.836 1.00 24.12 C ATOM 1496 O ASP A 160 -3.066 8.591 -25.947 1.00 23.41 O ATOM 1497 CB ASP A 160 -3.043 8.970 -29.291 1.00 24.04 C ATOM 1498 CG ASP A 160 -4.404 8.972 -30.007 1.00 30.18 C ATOM 1499 OD1 ASP A 160 -5.238 9.844 -29.715 1.00 30.20 O ATOM 1500 OD2 ASP A 160 -4.613 8.087 -30.894 1.00 35.58 O ATOM 1501 H ASP A 160 -1.137 9.392 -26.938 1.00 0.00 H ATOM 1502 N CYS A 161 -5.030 9.245 -26.821 1.00 24.41 N ATOM 1503 CA CYS A 161 -5.831 8.592 -25.785 1.00 24.15 C ATOM 1504 C CYS A 161 -7.270 8.463 -26.294 1.00 24.23 C ATOM 1505 O CYS A 161 -7.681 9.172 -27.218 1.00 24.99 O ATOM 1506 CB CYS A 161 -5.827 9.371 -24.431 1.00 23.15 C ATOM 1507 SG CYS A 161 -6.065 11.133 -24.475 1.00 23.68 S ATOM 1508 H CYS A 161 -5.512 9.787 -27.566 1.00 0.00 H ATOM 1509 N GLY A 162 -8.005 7.551 -25.688 1.00 23.03 N ATOM 1510 CA GLY A 162 -9.430 7.344 -26.068 1.00 24.66 C ATOM 1511 C GLY A 162 -10.046 6.172 -25.305 1.00 24.80 C ATOM 1512 O GLY A 162 -9.500 5.656 -24.316 1.00 25.35 O ATOM 1513 H GLY A 162 -7.584 6.969 -24.936 1.00 0.00 H ATOM 1514 N GLN A 163 -11.198 5.748 -25.797 1.00 28.40 N ATOM 1515 CA GLN A 163 -11.948 4.655 -25.188 1.00 28.79 C ATOM 1516 C GLN A 163 -11.897 3.392 -26.076 1.00 29.40 C ATOM 1517 O GLN A 163 -12.022 3.499 -27.286 1.00 35.17 O ATOM 1518 CB GLN A 163 -13.411 5.105 -24.982 1.00 29.25 C ATOM 1519 CG GLN A 163 -14.218 4.050 -24.252 1.00 27.58 C ATOM 1520 CD GLN A 163 -15.568 4.554 -23.753 1.00 27.30 C ATOM 1521 OE1 GLN A 163 -15.925 5.718 -23.932 1.00 29.68 O ATOM 1522 NE2 GLN A 163 -16.312 3.672 -23.117 1.00 28.37 N ATOM 1523 HE22 GLN A 163 -15.969 2.698 -22.989 1.00 0.00 H ATOM 1524 HE21 GLN A 163 -17.242 3.949 -22.743 1.00 0.00 H ATOM 1525 H GLN A 163 -11.582 6.209 -26.646 1.00 0.00 H ATOM 1526 N LEU A 164 -11.683 2.217 -25.457 1.00 27.67 N ATOM 1527 CA LEU A 164 -11.632 0.935 -26.154 1.00 31.10 C ATOM 1528 C LEU A 164 -12.991 0.242 -26.098 1.00 36.42 C ATOM 1529 O LEU A 164 -13.700 0.384 -25.106 1.00 42.50 O ATOM 1530 CB LEU A 164 -10.564 0.002 -25.545 1.00 31.90 C ATOM 1531 CG LEU A 164 -9.097 0.430 -25.673 1.00 34.76 C ATOM 1532 CD1 LEU A 164 -8.158 -0.580 -25.015 1.00 39.36 C ATOM 1533 CD2 LEU A 164 -8.734 0.629 -27.135 1.00 37.52 C ATOM 1534 H LEU A 164 -11.546 2.222 -24.426 1.00 0.00 H ATOM 1535 N GLU A 165 -13.286 -0.478 -27.195 1.00 43.84 N ATOM 1536 CA GLU A 165 -14.430 -1.414 -27.438 1.00 62.39 C ATOM 1537 C GLU A 165 -14.936 -1.331 -28.895 1.00 73.95 C ATOM 1538 O GLU A 165 -14.684 -0.380 -29.652 1.00 78.99 O ATOM 1539 CB GLU A 165 -15.607 -1.296 -26.445 1.00 69.30 C ATOM 1540 CG GLU A 165 -15.628 -2.380 -25.360 1.00 74.65 C ATOM 1541 CD GLU A 165 -14.319 -2.508 -24.591 1.00 75.42 C ATOM 1542 OE1 GLU A 165 -14.192 -1.869 -23.523 1.00 80.87 O ATOM 1543 OE2 GLU A 165 -13.407 -3.231 -25.061 1.00 80.65 O ATOM 1544 OXT GLU A 165 -15.607 -2.255 -29.357 1.00 83.82 O ATOM 1545 H GLU A 165 -12.624 -0.369 -27.990 1.00 0.00 H TER 1546 GLU A 165 HETATM 1547 O HOH 1 0.900 29.249 -14.487 1.00 39.80 O HETATM 1548 O HOH 2 -3.781 29.771 -15.710 1.00 28.68 O HETATM 1549 O HOH 3 -6.678 -3.480 -22.577 1.00 61.64 O HETATM 1550 O HOH 4 5.833 20.438 -18.685 1.00 44.63 O HETATM 1551 O HOH 5 17.741 14.902 -19.252 1.00 63.52 O HETATM 1552 O HOH 6 -0.169 19.930 -20.889 1.00 48.48 O HETATM 1553 O HOH 7 -3.702 -3.804 -5.636 1.00 46.43 O HETATM 1554 O HOH 8 -0.053 12.605 2.471 1.00 37.15 O HETATM 1555 O HOH 9 -7.375 -3.129 -4.936 1.00 45.57 O HETATM 1556 O HOH 10 -14.448 -2.309 -20.958 1.00 49.45 O HETATM 1557 O HOH 11 8.056 -0.370 -10.171 1.00 47.30 O HETATM 1558 O HOH 12 10.065 -3.205 -15.391 1.00 49.18 O HETATM 1559 O HOH 13 -5.746 25.071 -10.254 1.00 43.85 O HETATM 1560 O HOH 14 4.693 1.423 0.206 1.00 41.73 O HETATM 1561 O HOH 15 -13.881 23.076 -2.753 1.00 38.96 O HETATM 1562 O HOH 16 12.701 7.297 -5.596 1.00 41.36 O HETATM 1563 O HOH 17 7.142 15.574 -4.421 1.00 24.17 O HETATM 1564 O HOH 18 3.902 13.460 -27.787 1.00 41.76 O HETATM 1565 O HOH 19 8.841 0.151 -26.041 1.00 35.97 O HETATM 1566 O HOH 20 -4.022 17.932 -23.180 1.00 38.58 O HETATM 1567 O HOH 21 -1.335 -3.965 -7.137 1.00 47.73 O HETATM 1568 O HOH 22 -8.412 23.926 -6.029 1.00 47.15 O HETATM 1569 O HOH 23 -6.285 26.132 -14.867 1.00 46.84 O HETATM 1570 O HOH 24 -17.325 14.701 -0.287 1.00 21.38 O HETATM 1571 O HOH 25 13.191 9.314 -26.646 1.00 43.67 O HETATM 1572 O HOH 26 -15.074 0.951 -22.847 1.00 28.59 O HETATM 1573 O HOH 27 16.927 10.045 -19.076 1.00 48.28 O HETATM 1574 O HOH 28 -7.690 16.421 -9.558 1.00 17.95 O HETATM 1575 O HOH 29 -21.884 7.953 -6.412 1.00 30.82 O HETATM 1576 O HOH 30 -20.861 13.176 -19.476 1.00 35.40 O HETATM 1577 O HOH 31 -22.697 3.047 -10.843 1.00 46.66 O HETATM 1578 O HOH 32 -9.734 13.026 -4.212 1.00 21.86 O HETATM 1579 O HOH 33 -7.234 11.066 -31.223 1.00 51.08 O HETATM 1580 O HOH 34 -4.476 0.518 1.423 1.00 32.15 O HETATM 1581 O HOH 35 -1.045 14.263 -18.430 1.00 25.40 O HETATM 1582 O HOH 36 9.382 -2.157 -18.256 1.00 37.43 O HETATM 1583 O HOH 37 -5.315 7.427 5.627 1.00 44.52 O HETATM 1584 O HOH 38 2.201 27.970 -12.321 1.00 43.03 O HETATM 1585 O HOH 39 7.502 14.710 -18.295 1.00 25.42 O HETATM 1586 O HOH 40 -10.015 14.907 0.256 1.00 19.57 O HETATM 1587 O HOH 41 8.688 2.706 -1.963 1.00 31.12 O HETATM 1588 O HOH 42 -6.320 28.851 -15.129 1.00 63.29 O HETATM 1589 O HOH 43 0.865 18.572 -19.088 1.00 34.31 O HETATM 1590 O HOH 44 7.135 13.089 -25.324 1.00 26.35 O HETATM 1591 O HOH 45 -21.034 3.182 -5.049 1.00 36.40 O HETATM 1592 O HOH 46 -7.375 2.015 4.840 1.00 46.30 O HETATM 1593 O HOH 47 1.189 4.541 6.511 1.00 47.27 O HETATM 1594 O HOH 48 -20.337 9.519 -24.944 1.00 56.06 O HETATM 1595 O HOH 49 7.310 -5.779 -16.116 1.00 50.68 O HETATM 1596 O HOH 50 2.923 17.867 -23.166 1.00 37.30 O HETATM 1597 O HOH 51 0.260 17.271 -16.033 1.00 22.70 O HETATM 1598 O HOH 52 -11.482 5.923 -2.757 1.00 20.14 O HETATM 1599 O HOH 53 15.949 11.672 -26.066 1.00 75.18 O HETATM 1600 O HOH 54 9.186 17.415 -4.850 1.00 24.74 O HETATM 1601 O HOH 55 -18.388 6.409 -17.399 1.00 27.45 O HETATM 1602 O HOH 56 -13.828 15.957 -22.877 1.00 26.93 O HETATM 1603 O HOH 57 -3.272 -3.081 -11.873 1.00 41.80 O HETATM 1604 O HOH 58 15.654 10.184 -14.434 1.00 43.05 O HETATM 1605 O HOH 59 -14.961 22.899 -16.641 1.00 36.26 O HETATM 1606 O HOH 60 8.906 17.047 -14.733 1.00 30.36 O HETATM 1607 O HOH 61 -18.746 20.870 -9.597 1.00 31.61 O HETATM 1608 O HOH 62 -11.999 11.818 -12.540 1.00 21.59 O HETATM 1609 O HOH 63 -19.679 6.344 -14.877 1.00 32.13 O HETATM 1610 O HOH 64 15.815 15.491 -10.187 1.00 45.82 O HETATM 1611 O HOH 65 -20.775 17.624 -17.460 1.00 46.02 O HETATM 1612 O HOH 66 -20.589 12.864 -5.993 1.00 26.37 O HETATM 1613 O HOH 67 0.618 -4.195 -2.509 1.00 49.09 O HETATM 1614 O HOH 68 -10.513 16.608 -3.128 1.00 18.29 O HETATM 1615 O HOH 69 -12.821 -1.573 -0.956 1.00 50.14 O HETATM 1616 O HOH 70 11.507 11.064 -2.881 1.00 22.13 O HETATM 1617 O HOH 71 4.600 -2.953 -10.712 1.00 43.15 O HETATM 1618 O HOH 72 -5.497 9.714 4.719 1.00 37.24 O HETATM 1619 O HOH 73 10.512 1.160 -12.794 1.00 31.30 O HETATM 1620 O HOH 74 -10.125 4.945 4.239 1.00 40.21 O HETATM 1621 O HOH 75 -0.618 14.526 -29.288 1.00 42.23 O HETATM 1622 O HOH 76 3.041 5.418 -28.079 1.00 28.18 O HETATM 1623 O HOH 77 -16.757 6.554 -26.498 1.00 47.30 O HETATM 1624 O HOH 78 -20.997 11.775 -3.430 1.00 32.12 O HETATM 1625 O HOH 79 -6.372 17.699 -26.043 1.00 39.30 O HETATM 1626 O HOH 80 -19.589 10.358 0.096 1.00 26.61 O HETATM 1627 O HOH 81 -18.277 19.807 -19.729 1.00 46.79 O HETATM 1628 O HOH 82 -17.624 -4.464 -15.265 1.00 48.03 O HETATM 1629 O HOH 83 6.134 20.789 -12.309 1.00 38.95 O HETATM 1630 O HOH 84 7.482 18.236 -10.882 1.00 54.63 O HETATM 1631 O HOH 85 8.352 1.074 -7.616 1.00 59.11 O HETATM 1632 O HOH 86 -11.200 22.651 0.178 1.00 33.88 O HETATM 1633 O HOH 87 3.479 22.235 -9.207 1.00 45.19 O HETATM 1634 O HOH 88 -11.564 10.142 -29.040 1.00 42.84 O HETATM 1635 O HOH 89 -20.569 13.956 -24.025 1.00 39.70 O HETATM 1636 O HOH 90 -20.448 18.919 -9.147 1.00 48.44 O HETATM 1637 O HOH 91 -14.994 -5.136 -15.349 1.00 46.69 O HETATM 1638 O HOH 92 -14.232 -3.904 -17.969 1.00 57.84 O HETATM 1639 O HOH 93 -21.695 12.111 -14.088 1.00 32.16 O HETATM 1640 O HOH 94 -13.706 14.684 1.839 1.00 21.08 O HETATM 1641 O HOH 95 -14.527 12.272 -6.482 1.00 18.70 O HETATM 1642 O HOH 96 -16.227 26.265 -12.605 1.00 46.38 O HETATM 1643 O HOH 97 -20.338 -0.437 -14.761 1.00 43.45 O HETATM 1644 O HOH 98 -11.877 13.004 3.312 1.00 23.37 O HETATM 1645 O HOH 99 12.708 3.272 -19.223 1.00 29.36 O HETATM 1646 O HOH 100 -8.842 -0.705 -4.555 1.00 35.01 O HETATM 1647 O HOH 101 15.270 14.465 -13.371 1.00 39.28 O HETATM 1648 O HOH 102 2.319 14.004 -2.868 1.00 32.57 O HETATM 1649 O HOH 103 -8.517 22.380 -7.648 1.00 44.85 O HETATM 1650 O HOH 104 -3.765 -2.253 -9.391 1.00 39.35 O HETATM 1651 O HOH 105 -16.265 21.089 -4.863 1.00 36.45 O HETATM 1652 O HOH 106 -12.233 7.276 -28.058 1.00 39.30 O HETATM 1653 O HOH 107 -15.143 21.167 1.462 1.00 22.95 O HETATM 1654 O HOH 108 -21.313 8.236 -20.324 1.00 49.86 O HETATM 1655 O HOH 109 -6.792 19.294 -11.745 1.00 19.76 O HETATM 1656 O HOH 110 17.739 7.946 -3.119 1.00 41.49 O HETATM 1657 O HOH 111 5.552 -0.712 -9.631 1.00 48.85 O HETATM 1658 O HOH 112 -1.775 11.044 5.383 1.00 43.05 O HETATM 1659 O HOH 113 -8.282 14.058 -24.867 1.00 24.13 O HETATM 1660 O HOH 114 -16.845 6.291 1.564 1.00 27.79 O HETATM 1661 O HOH 115 -16.834 -1.285 -22.361 1.00 61.44 O HETATM 1662 O HOH 116 -2.858 -4.032 0.134 1.00 58.29 O HETATM 1663 O HOH 117 -9.146 6.205 -0.511 1.00 21.09 O HETATM 1664 O HOH 118 -13.693 4.849 -4.183 1.00 21.26 O HETATM 1665 O HOH 119 -6.658 1.963 -30.596 1.00 69.96 O HETATM 1666 O HOH 120 2.355 17.515 -26.785 1.00 44.61 O HETATM 1667 O HOH 121 -3.777 17.037 -0.998 1.00 21.86 O HETATM 1668 O HOH 122 -11.441 -0.746 -29.500 1.00 52.46 O HETATM 1669 O HOH 123 -13.797 26.979 -8.552 1.00 68.88 O HETATM 1670 O HOH 124 -18.640 20.334 -6.155 1.00 32.39 O HETATM 1671 O HOH 125 0.149 -6.002 -20.142 1.00 41.44 O HETATM 1672 O HOH 126 16.750 10.879 -8.086 1.00 38.09 O HETATM 1673 O HOH 127 -21.183 7.217 -3.746 1.00 27.64 O HETATM 1674 O HOH 128 16.212 18.598 -10.141 1.00 51.51 O HETATM 1675 O HOH 129 4.379 -1.442 -1.986 1.00 42.69 O HETATM 1676 O HOH 130 -21.751 20.442 -12.173 1.00 54.60 O HETATM 1677 O HOH 131 15.742 14.620 -7.042 1.00 38.64 O HETATM 1678 O HOH 132 -10.862 17.589 -27.311 1.00 47.96 O HETATM 1679 O HOH 133 2.189 17.759 -8.527 1.00 45.14 O HETATM 1680 O HOH 134 -10.128 -1.526 -1.990 1.00 29.40 O HETATM 1681 O HOH 135 -4.423 29.932 -12.162 1.00 68.10 O HETATM 1682 O HOH 136 -1.493 2.146 -3.912 1.00 27.44 O HETATM 1683 O HOH 137 -19.019 4.271 -21.820 1.00 43.50 O HETATM 1684 O HOH 138 4.635 24.876 -17.287 1.00 33.73 O HETATM 1685 O HOH 139 -7.737 20.398 -23.874 1.00 27.21 O HETATM 1686 O HOH 140 8.457 17.325 -17.705 1.00 49.50 O HETATM 1687 O HOH 141 -0.335 -4.939 -16.832 1.00 40.69 O HETATM 1688 O HOH 142 15.071 7.078 -12.031 1.00 44.08 O HETATM 1689 O HOH 143 1.443 11.989 0.152 1.00 27.19 O HETATM 1690 O HOH 144 6.489 25.900 -13.889 1.00 39.14 O HETATM 1691 O HOH 145 -9.342 25.534 -20.784 1.00 51.65 O HETATM 1692 O HOH 146 -8.507 12.376 -27.083 1.00 33.34 O HETATM 1693 O HOH 147 1.392 22.018 -7.217 1.00 78.87 O HETATM 1694 O HOH 148 -5.282 19.808 -24.067 1.00 43.20 O HETATM 1695 O HOH 149 -13.565 -2.566 -7.697 1.00 60.09 O HETATM 1696 O HOH 150 -16.583 24.336 -9.631 1.00 40.39 O HETATM 1697 O HOH 151 -5.102 21.622 1.757 1.00 50.71 O HETATM 1698 O HOH 152 -8.031 6.081 6.420 1.00 65.11 O HETATM 1699 O HOH 153 11.175 17.142 -18.905 1.00 55.10 O HETATM 1700 O HOH 154 15.658 15.941 -22.214 1.00 62.51 O HETATM 1701 O HOH 155 10.724 5.293 -26.305 1.00 48.77 O HETATM 1702 O HOH 156 -7.536 24.540 -2.376 1.00 52.46 O HETATM 1703 O HOH 157 -2.341 20.302 -23.125 1.00 43.39 O HETATM 1704 O HOH 158 -23.017 3.536 -7.562 1.00 52.67 O HETATM 1705 O HOH 159 -19.006 -4.226 -13.057 1.00 57.11 O HETATM 1706 O HOH 160 2.808 -6.014 -17.474 1.00 49.70 O HETATM 1707 O HOH 161 -4.597 -1.804 -24.513 1.00 48.26 O HETATM 1708 O HOH 162 4.464 11.894 -30.215 1.00 46.20 O HETATM 1709 O HOH 163 -22.305 11.136 -7.409 1.00 54.48 O HETATM 1710 O HOH 164 -2.610 28.235 -10.693 1.00 60.16 O HETATM 1711 O HOH 165 0.149 28.717 -10.470 1.00 50.97 O HETATM 1712 O HOH 166 6.625 20.926 -15.140 1.00 37.56 O HETATM 1713 O HOH 167 -2.758 21.761 -0.917 1.00 37.77 O HETATM 1714 O HOH 168 -8.730 16.528 -25.958 1.00 38.27 O HETATM 1715 O HOH 169 -1.903 19.124 -1.248 1.00 26.34 O HETATM 1716 O HOH 170 -22.453 9.931 -12.663 1.00 49.69 O HETATM 1717 O HOH 171 5.366 13.632 -1.914 1.00 25.24 O HETATM 1718 O HOH 172 -15.973 3.925 2.688 1.00 50.77 O HETATM 1719 O HOH 173 -14.001 25.328 -15.781 1.00 45.87 O HETATM 1720 O HOH 174 -1.565 4.852 6.913 1.00 53.27 O HETATM 1721 O HOH 175 -16.815 2.682 -26.626 1.00 63.49 O HETATM 1722 O HOH 176 4.449 9.167 -30.571 1.00 46.01 O HETATM 1723 O HOH 177 11.547 1.781 -8.581 1.00 48.70 O HETATM 1724 O HOH 178 -11.480 27.622 -22.034 1.00 53.42 O HETATM 1725 O HOH 179 13.139 17.072 -20.386 1.00 63.92 O HETATM 1726 O HOH 180 7.216 15.781 -26.305 1.00 49.06 O HETATM 1727 O HOH 181 11.990 2.975 -11.085 1.00 39.52 O HETATM 1728 O HOH 182 12.856 3.124 -6.539 1.00 52.63 O HETATM 1729 O HOH 183 -0.803 23.947 -6.899 1.00 44.25 O HETATM 1730 O HOH 184 4.290 18.828 -5.377 1.00 42.53 O HETATM 1731 O HOH 185 4.750 19.121 -9.014 1.00 52.89 O HETATM 1732 O HOH 186 -2.005 16.841 -29.255 1.00 55.52 O HETATM 1733 O HOH 187 14.788 7.638 -7.364 1.00 37.95 O HETATM 1734 O HOH 188 -8.943 26.102 -15.856 1.00 51.22 O HETATM 1735 O HOH 189 -12.302 6.594 4.898 1.00 44.07 O HETATM 1736 O HOH 190 6.024 15.323 -28.643 1.00 57.81 O HETATM 1737 O HOH 191 -22.147 4.669 -2.994 1.00 34.68 O HETATM 1738 O HOH 192 17.060 12.532 -13.123 1.00 39.80 O HETATM 1739 O HOH 193 -14.794 23.347 -0.236 1.00 40.11 O HETATM 1740 O HOH 194 -5.787 -3.433 -8.107 1.00 56.96 O HETATM 1741 O HOH 195 -16.886 23.718 -4.645 1.00 52.95 O HETATM 1742 O HOH 196 -11.472 26.056 -14.664 1.00 50.19 O HETATM 1743 O HOH 197 9.747 16.743 -26.678 1.00 57.08 O HETATM 1744 O HOH 198 7.072 23.458 -16.198 1.00 42.15 O HETATM 1745 O HOH 199 15.250 4.263 -18.897 1.00 46.13 O HETATM 1746 O HOH 200 -19.578 4.533 -19.061 1.00 40.09 O HETATM 1747 O HOH 201 -17.093 10.606 1.238 1.00 30.31 O HETATM 1748 O HOH 202 -16.754 8.634 3.071 1.00 30.64 O HETATM 1749 O HOH 203 -22.904 8.521 -1.973 1.00 36.00 O HETATM 1750 O HOH 204 1.891 14.926 -28.160 1.00 44.43 O HETATM 1751 O HOH 205 14.080 5.325 -3.880 1.00 64.49 O HETATM 1752 O HOH 206 -21.134 0.553 -4.146 1.00 50.57 O HETATM 1753 O HOH 207 14.349 4.361 -11.261 1.00 33.98 O HETATM 1754 O HOH 208 9.033 -5.436 -18.398 1.00 41.23 O HETATM 1755 O HOH 209 -8.506 23.390 -22.481 1.00 27.60 O HETATM 1756 O HOH 210 -2.662 24.030 -2.616 1.00 46.49 O HETATM 1757 O HOH 211 16.976 3.172 -14.673 1.00 55.28 O HETATM 1758 O HOH 212 2.504 -4.696 -10.530 1.00 49.45 O HETATM 1759 O HOH 213 -3.037 23.792 -5.665 1.00 46.78 O HETATM 1760 O HOH 214 -22.084 5.517 -14.990 1.00 63.27 O HETATM 1761 O HOH 215 -1.448 7.378 7.939 1.00 52.65 O HETATM 1762 O HOH 216 -14.912 7.002 -28.423 1.00 53.86 O HETATM 1763 O HOH 217 -5.076 24.529 -6.411 1.00 53.58 O HETATM 1764 O HOH 218 -22.802 17.751 -15.872 1.00 55.45 O HETATM 1765 O HOH 219 2.531 7.206 -30.130 1.00 41.76 O HETATM 1766 O HOH 220 -9.017 -2.767 0.349 1.00 42.44 O HETATM 1767 O HOH 221 -21.132 12.586 0.834 1.00 25.48 O HETATM 1768 O HOH 222 -23.432 16.521 -13.304 1.00 61.28 O HETATM 1769 O HOH 223 12.462 3.230 -22.087 1.00 42.94 O HETATM 1770 O HOH 224 -23.644 10.915 -3.326 1.00 44.80 O HETATM 1771 O HOH 225 -27.989 -2.827 -17.469 1.00 58.96 O HETATM 1772 O HOH 226 18.231 13.289 -5.702 1.00 57.27 O HETATM 1773 O HOH 227 -20.580 8.203 1.583 1.00 32.86 O HETATM 1774 O HOH 228 14.187 7.321 -24.616 1.00 46.93 O HETATM 1775 O HOH 229 17.240 7.062 -5.592 1.00 39.08 O HETATM 1776 O HOH 230 -19.587 5.658 1.093 1.00 30.56 O HETATM 1777 O HOH 231 -19.151 -1.291 -2.786 1.00 57.14 O HETATM 1778 O HOH 232 -11.010 -3.543 -7.585 1.00 69.37 O HETATM 1779 O HOH 233 -21.473 4.365 -0.275 1.00 40.89 O HETATM 1780 O HOH 234 18.720 9.838 -6.077 1.00 39.14 O HETATM 1781 O HOH 235 -17.948 25.540 -2.475 1.00 48.83 O HETATM 1782 O HOH 236 15.238 5.120 -8.732 1.00 39.68 O HETATM 1783 O HOH 237 -25.134 5.678 -9.380 1.00 44.77 O HETATM 1784 O HOH 238 -24.989 6.822 -11.894 1.00 42.06 O HETATM 1785 O HOH 239 -23.863 12.253 0.274 1.00 24.03 O HETATM 1786 O HOH 240 18.229 3.898 -3.163 1.00 46.59 O HETATM 1787 O HOH 241 -19.241 8.546 4.269 1.00 39.16 O HETATM 1788 O HOH 242 19.280 6.105 -7.153 1.00 35.81 O HETATM 1789 O L A 36 -0.589 17.541 -6.546 1.00 -0.40 O HETATM 1790 C10 L A 36 -1.152 18.181 -5.659 1.00 0.26 C HETATM 1791 N2 L A 36 -1.266 17.691 -4.428 1.00 -0.25 N HETATM 1792 C11 L A 36 -0.666 16.424 -4.059 1.00 0.13 C HETATM 1793 C12 L A 36 -1.377 15.262 -4.710 1.00 0.26 C HETATM 1794 O2 L A 36 -0.577 14.204 -4.816 1.00 -0.28 O HETATM 1795 C13 L A 36 -1.133 12.891 -4.851 1.00 0.07 C HETATM 1796 C14 L A 36 -0.020 11.870 -4.756 1.00 -0.04 C HETATM 1797 H6 L A 36 -0.448 10.857 -4.783 1.00 0.03 H HETATM 1798 H7 L A 36 0.528 12.011 -3.813 1.00 0.03 H HETATM 1799 H8 L A 36 0.669 11.999 -5.603 1.00 0.03 H HETATM 1800 H4 L A 36 -1.681 12.750 -5.794 1.00 0.06 H HETATM 1801 H5 L A 36 -1.822 12.762 -4.004 1.00 0.06 H HETATM 1802 O1 L A 36 -2.534 15.274 -5.096 1.00 -0.37 O HETATM 1803 H2 L A 36 -0.720 16.308 -2.966 1.00 0.08 H HETATM 1804 H3 L A 36 0.387 16.422 -4.377 1.00 0.08 H HETATM 1805 H1 L A 36 -1.777 18.208 -3.741 1.00 0.19 H HETATM 1806 N L A 36 -1.666 19.383 -5.903 1.00 -0.25 N HETATM 1807 C2 L A 36 -2.108 20.264 -4.833 1.00 0.03 C HETATM 1808 C1 L A 36 -0.917 20.998 -4.257 1.00 -0.04 C HETATM 1809 H11 L A 36 -1.253 21.664 -3.448 1.00 0.02 H HETATM 1810 H12 L A 36 -0.437 21.594 -5.047 1.00 0.02 H HETATM 1811 H13 L A 36 -0.196 20.270 -3.857 1.00 0.02 H HETATM 1812 H9 L A 36 -2.588 19.668 -4.043 1.00 0.05 H HETATM 1813 H10 L A 36 -2.829 20.992 -5.232 1.00 0.05 H HETATM 1814 C3 L A 36 -1.819 19.898 -7.255 1.00 0.06 C HETATM 1815 C4 L A 36 -3.260 19.963 -7.705 1.00 -0.03 C HETATM 1816 C5 L A 36 -4.058 18.826 -7.648 1.00 -0.07 C HETATM 1817 C6 L A 36 -5.384 18.886 -8.063 1.00 -0.05 C HETATM 1818 C7 L A 36 -5.911 20.082 -8.534 1.00 0.03 C HETATM 1819 N1 L A 36 -7.203 20.140 -8.938 1.00 -0.34 N HETATM 1820 H18 L A 36 -7.594 21.027 -9.287 1.00 0.17 H HETATM 1821 H19 L A 36 -7.794 19.297 -8.896 1.00 0.17 H HETATM 1822 C8 L A 36 -5.113 21.219 -8.591 1.00 -0.05 C HETATM 1823 C9 L A 36 -3.788 21.159 -8.177 1.00 -0.07 C HETATM 1824 H21 L A 36 -3.166 22.045 -8.222 1.00 0.05 H HETATM 1825 H20 L A 36 -5.524 22.152 -8.958 1.00 0.05 H HETATM 1826 H17 L A 36 -6.006 18.000 -8.019 1.00 0.05 H HETATM 1827 H16 L A 36 -3.647 17.893 -7.280 1.00 0.05 H HETATM 1828 H14 L A 36 -1.266 19.242 -7.944 1.00 0.07 H HETATM 1829 H15 L A 36 -1.394 20.912 -7.294 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1789 1790 CONECT 1790 1789 1791 1806 CONECT 1791 1790 1792 1805 CONECT 1792 1791 1793 1803 1804 CONECT 1793 1792 1794 1802 CONECT 1794 1793 1795 CONECT 1795 1794 1796 1800 1801 CONECT 1796 1795 1797 1798 1799 CONECT 1797 1796 CONECT 1798 1796 CONECT 1799 1796 CONECT 1800 1795 CONECT 1801 1795 CONECT 1802 1793 CONECT 1803 1792 CONECT 1804 1792 CONECT 1805 1791 CONECT 1806 1790 1807 1814 CONECT 1807 1806 1808 1812 1813 CONECT 1808 1807 1809 1810 1811 CONECT 1809 1808 CONECT 1810 1808 CONECT 1811 1808 CONECT 1812 1807 CONECT 1813 1807 CONECT 1814 1806 1815 1828 1829 CONECT 1815 1814 1816 1823 CONECT 1816 1815 1817 1827 CONECT 1817 1816 1818 1826 CONECT 1818 1817 1819 1822 CONECT 1819 1818 1820 1821 CONECT 1820 1819 CONECT 1821 1819 CONECT 1822 1818 1823 1825 CONECT 1823 1815 1822 1824 CONECT 1824 1823 CONECT 1825 1822 CONECT 1826 1817 CONECT 1827 1816 CONECT 1828 1814 CONECT 1829 1814 MASTER 0 0 0 0 0 0 0 0 1828 1 45 13 END
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Structure:
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6gjm
RCSB PDB
PDBbind
L36
Entry Information
PDB ID
6gjj
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
CypA
Ligand Name
L36
EC.Number
E.C.5.2.1.8
Resolution
1.38(Å)
Affinity (Kd/Ki/IC50)
Kd=200uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Chem Sci Vol.10 : pp.542-547
Ligand Properties
Formula
C
1
4
H
2
1
N
3
O
3
Molecular Weight
279.335
Exact Mass
279.158
No. of atoms
41
No. of bonds
41
Polar Surface Area
84.66
LOGP Value
1.02 (
Computed with XLOGP3
)
2.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
Canonical SMILES
CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)CC
InChI String
InChI=1S/C14H21N3O3/c1-3-17(10-11-5-7-12(15)8-6-11)14(19)16-9-13(18)20-4-2/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,19)
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):
P62937
Entrez Gene ID
NCBI Entrez Gene ID:
5478
ASD
Information of known allosteric effects of PDB entries
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