Browse entries in the PDBbind-CN Database
HEADER 4MZK_COMPLEX COMPND 4MZK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 142 ALA ASP ILE GLN GLN LEU GLU GLU LYS VAL ASP GLU SER SEQRES 2 A 142 ASP VAL ARG ILE TYR PHE ASN GLU LYS SER SER GLY GLY SEQRES 3 A 142 LYS ILE SER ILE ASP ASN ALA SER TYR ASN ALA ARG LYS SEQRES 4 A 142 LEU GLY LEU ALA PRO SER SER ILE ASP GLU LYS LYS ILE SEQRES 5 A 142 LYS GLU LEU TYR GLY ASP ASN LEU THR TYR GLU GLN TYR SEQRES 6 A 142 LEU GLU TYR LEU SER ILE CYS VAL HIS ASP LYS ASP ASN SEQRES 7 A 142 VAL GLU GLU LEU ILE LYS MET PHE ALA HIS PHE ASP ASN SEQRES 8 A 142 ASN CYS THR GLY TYR LEU THR LYS SER GLN MET LYS ASN SEQRES 9 A 142 ILE LEU THR THR TRP GLY ASP ALA LEU THR ASP GLN GLU SEQRES 10 A 142 ALA ILE ASP ALA LEU ASN ALA PHE SER SER GLU ASP ASN SEQRES 11 A 142 ILE ASP TYR LYS LEU PHE CYS GLU ASP ILE LEU GLN HET ACE A 244 319 ATOM 1 N ALA A 63 15.938 -12.302 14.281 1.00 48.67 N ATOM 2 CA ALA A 63 15.912 -12.842 12.922 1.00 45.30 C ATOM 3 C ALA A 63 17.293 -13.289 12.455 1.00 39.75 C ATOM 4 O ALA A 63 18.247 -12.511 12.497 1.00 41.04 O ATOM 5 CB ALA A 63 15.355 -11.808 11.948 1.00 41.79 C ATOM 6 HN3 ALA A 63 16.573 -11.479 14.314 1.00 0.00 H ATOM 7 HN2 ALA A 63 16.281 -13.033 14.937 1.00 0.00 H ATOM 8 HN1 ALA A 63 14.978 -12.011 14.556 1.00 0.00 H ATOM 9 N ASP A 64 17.403 -14.540 12.018 1.00 40.81 N ATOM 10 CA ASP A 64 18.582 -14.954 11.261 1.00 42.23 C ATOM 11 C ASP A 64 18.283 -14.761 9.773 1.00 39.06 C ATOM 12 O ASP A 64 17.168 -14.372 9.416 1.00 35.08 O ATOM 13 CB ASP A 64 19.019 -16.396 11.596 1.00 40.75 C ATOM 14 CG ASP A 64 17.917 -17.432 11.369 1.00 46.64 C ATOM 15 OD1 ASP A 64 16.998 -17.201 10.549 1.00 46.28 O ATOM 16 OD2 ASP A 64 17.988 -18.508 12.003 1.00 47.07 O ATOM 17 H ASP A 64 16.647 -15.226 12.216 1.00 0.00 H ATOM 18 N ILE A 65 19.266 -15.027 8.917 1.00 38.79 N ATOM 19 CA ILE A 65 19.101 -14.854 7.472 1.00 35.00 C ATOM 20 C ILE A 65 17.988 -15.740 6.892 1.00 38.62 C ATOM 21 O ILE A 65 17.243 -15.313 6.005 1.00 34.95 O ATOM 22 CB ILE A 65 20.445 -15.057 6.731 1.00 38.44 C ATOM 23 CG1 ILE A 65 21.402 -13.905 7.080 1.00 33.46 C ATOM 24 CG2 ILE A 65 20.234 -15.153 5.218 1.00 38.04 C ATOM 25 CD1 ILE A 65 22.835 -14.116 6.627 1.00 37.01 C ATOM 26 H ILE A 65 20.177 -15.367 9.284 1.00 0.00 H ATOM 27 N GLN A 66 17.861 -16.961 7.406 1.00 41.08 N ATOM 28 CA GLN A 66 16.783 -17.854 6.974 1.00 43.85 C ATOM 29 C GLN A 66 15.401 -17.213 7.165 1.00 43.01 C ATOM 30 O GLN A 66 14.581 -17.212 6.244 1.00 41.19 O ATOM 31 CB GLN A 66 16.862 -19.202 7.700 1.00 45.14 C ATOM 32 H GLN A 66 18.538 -17.286 8.126 1.00 0.00 H ATOM 33 N GLN A 67 15.155 -16.655 8.350 1.00 42.90 N ATOM 34 CA GLN A 67 13.885 -15.986 8.637 1.00 42.56 C ATOM 35 C GLN A 67 13.691 -14.780 7.733 1.00 39.92 C ATOM 36 O GLN A 67 12.618 -14.595 7.150 1.00 38.58 O ATOM 37 CB GLN A 67 13.816 -15.544 10.102 1.00 39.57 C ATOM 38 H GLN A 67 15.884 -16.696 9.090 1.00 0.00 H ATOM 39 N LEU A 68 14.733 -13.958 7.630 1.00 37.39 N ATOM 40 CA LEU A 68 14.724 -12.795 6.751 1.00 32.40 C ATOM 41 C LEU A 68 14.230 -13.136 5.347 1.00 37.11 C ATOM 42 O LEU A 68 13.422 -12.405 4.774 1.00 34.24 O ATOM 43 CB LEU A 68 16.129 -12.194 6.647 1.00 30.63 C ATOM 44 CG LEU A 68 16.286 -11.108 5.583 1.00 28.02 C ATOM 45 CD1 LEU A 68 15.637 -9.814 6.052 1.00 27.26 C ATOM 46 CD2 LEU A 68 17.756 -10.896 5.217 1.00 31.05 C ATOM 47 H LEU A 68 15.583 -14.152 8.196 1.00 0.00 H ATOM 48 N GLU A 69 14.706 -14.254 4.800 1.00 33.17 N ATOM 49 CA GLU A 69 14.424 -14.578 3.407 1.00 33.77 C ATOM 50 C GLU A 69 13.052 -15.217 3.216 1.00 38.21 C ATOM 51 O GLU A 69 12.670 -15.554 2.091 1.00 36.66 O ATOM 52 CB GLU A 69 15.535 -15.449 2.820 1.00 45.69 C ATOM 53 CG GLU A 69 16.853 -14.703 2.637 1.00 41.67 C ATOM 54 CD GLU A 69 18.000 -15.627 2.285 1.00 47.44 C ATOM 55 OE1 GLU A 69 17.797 -16.861 2.295 1.00 48.10 O ATOM 56 OE2 GLU A 69 19.105 -15.119 1.998 1.00 51.99 O ATOM 57 H GLU A 69 15.284 -14.902 5.372 1.00 0.00 H ATOM 58 N GLU A 70 12.317 -15.382 4.316 1.00 36.46 N ATOM 59 CA GLU A 70 10.905 -15.754 4.240 1.00 39.54 C ATOM 60 C GLU A 70 10.032 -14.497 4.293 1.00 38.98 C ATOM 61 O GLU A 70 8.888 -14.498 3.831 1.00 42.48 O ATOM 62 CB GLU A 70 10.504 -16.720 5.367 1.00 45.61 C ATOM 63 CG GLU A 70 11.227 -18.067 5.356 1.00 47.24 C ATOM 64 CD GLU A 70 10.618 -19.073 6.328 1.00 53.52 C ATOM 65 OE1 GLU A 70 9.407 -18.974 6.628 1.00 49.67 O ATOM 66 OE2 GLU A 70 11.351 -19.972 6.792 1.00 60.06 O ATOM 67 H GLU A 70 12.757 -15.243 5.248 1.00 0.00 H ATOM 68 N LYS A 71 10.575 -13.427 4.864 1.00 34.05 N ATOM 69 CA LYS A 71 9.844 -12.172 5.008 1.00 33.34 C ATOM 70 C LYS A 71 10.020 -11.244 3.797 1.00 36.03 C ATOM 71 O LYS A 71 9.067 -10.606 3.341 1.00 38.51 O ATOM 72 CB LYS A 71 10.296 -11.467 6.284 1.00 36.89 C ATOM 73 CG LYS A 71 9.794 -10.045 6.433 1.00 41.70 C ATOM 74 H LYS A 71 11.551 -13.486 5.219 1.00 0.00 H ATOM 75 N VAL A 72 11.246 -11.168 3.290 1.00 29.56 N ATOM 76 CA VAL A 72 11.542 -10.390 2.092 1.00 28.06 C ATOM 77 C VAL A 72 11.895 -11.343 0.956 1.00 33.17 C ATOM 78 O VAL A 72 12.187 -12.524 1.196 1.00 31.25 O ATOM 79 CB VAL A 72 12.712 -9.385 2.319 1.00 26.08 C ATOM 80 CG1 VAL A 72 12.370 -8.407 3.418 1.00 29.40 C ATOM 81 CG2 VAL A 72 13.988 -10.112 2.679 1.00 26.69 C ATOM 82 H VAL A 72 12.019 -11.679 3.762 1.00 0.00 H ATOM 83 N ASP A 73 11.848 -10.839 -0.276 1.00 29.15 N ATOM 84 CA ASP A 73 12.213 -11.629 -1.446 1.00 30.88 C ATOM 85 C ASP A 73 13.718 -11.516 -1.642 1.00 30.31 C ATOM 86 O ASP A 73 14.253 -10.416 -1.797 1.00 28.60 O ATOM 87 CB ASP A 73 11.462 -11.126 -2.685 1.00 31.90 C ATOM 88 CG ASP A 73 11.734 -11.965 -3.930 1.00 41.51 C ATOM 89 OD1 ASP A 73 12.647 -12.817 -3.907 1.00 40.46 O ATOM 90 OD2 ASP A 73 11.031 -11.764 -4.949 1.00 45.45 O ATOM 91 H ASP A 73 11.542 -9.854 -0.407 1.00 0.00 H ATOM 92 N GLU A 74 14.404 -12.656 -1.628 1.00 22.26 N ATOM 93 CA GLU A 74 15.848 -12.662 -1.816 1.00 22.05 C ATOM 94 C GLU A 74 16.252 -12.062 -3.171 1.00 24.03 C ATOM 95 O GLU A 74 17.331 -11.481 -3.296 1.00 19.39 O ATOM 96 CB GLU A 74 16.392 -14.091 -1.667 1.00 27.83 C ATOM 97 H GLU A 74 13.902 -13.555 -1.481 1.00 0.00 H ATOM 98 N SER A 75 15.400 -12.196 -4.190 1.00 19.99 N ATOM 99 CA SER A 75 15.686 -11.603 -5.499 1.00 21.79 C ATOM 100 C SER A 75 15.809 -10.083 -5.407 1.00 19.66 C ATOM 101 O SER A 75 16.689 -9.480 -6.022 1.00 18.05 O ATOM 102 CB SER A 75 14.618 -11.983 -6.528 1.00 21.78 C ATOM 103 OG SER A 75 14.673 -13.362 -6.833 1.00 24.98 O ATOM 104 HG SER A 75 13.974 -13.580 -7.499 1.00 0.00 H ATOM 105 H SER A 75 14.518 -12.730 -4.052 1.00 0.00 H ATOM 106 N ASP A 76 14.920 -9.459 -4.632 1.00 16.34 N ATOM 107 CA ASP A 76 14.992 -8.010 -4.414 1.00 20.62 C ATOM 108 C ASP A 76 16.232 -7.630 -3.613 1.00 17.73 C ATOM 109 O ASP A 76 16.911 -6.637 -3.916 1.00 16.55 O ATOM 110 CB ASP A 76 13.740 -7.492 -3.688 1.00 16.07 C ATOM 111 CG ASP A 76 12.503 -7.493 -4.573 1.00 23.51 C ATOM 112 OD1 ASP A 76 12.655 -7.540 -5.808 1.00 23.41 O ATOM 113 OD2 ASP A 76 11.376 -7.448 -4.028 1.00 26.18 O ATOM 114 H ASP A 76 14.164 -10.008 -4.175 1.00 0.00 H ATOM 115 N VAL A 77 16.514 -8.415 -2.579 1.00 14.86 N ATOM 116 CA VAL A 77 17.684 -8.185 -1.737 1.00 17.22 C ATOM 117 C VAL A 77 18.960 -8.095 -2.588 1.00 20.85 C ATOM 118 O VAL A 77 19.788 -7.185 -2.420 1.00 17.19 O ATOM 119 CB VAL A 77 17.835 -9.308 -0.705 1.00 14.11 C ATOM 120 CG1 VAL A 77 19.151 -9.176 0.013 1.00 14.98 C ATOM 121 CG2 VAL A 77 16.671 -9.271 0.304 1.00 15.00 C ATOM 122 H VAL A 77 15.885 -9.214 -2.364 1.00 0.00 H ATOM 123 N ARG A 78 19.076 -9.014 -3.539 1.00 14.99 N ATOM 124 CA ARG A 78 20.244 -9.096 -4.416 1.00 18.28 C ATOM 125 C ARG A 78 20.283 -7.976 -5.451 1.00 16.74 C ATOM 126 O ARG A 78 21.330 -7.349 -5.679 1.00 17.34 O ATOM 127 CB ARG A 78 20.257 -10.449 -5.139 1.00 17.79 C ATOM 128 CG ARG A 78 21.368 -10.592 -6.163 1.00 28.46 C ATOM 129 CD ARG A 78 22.747 -10.768 -5.509 1.00 39.80 C ATOM 130 NE ARG A 78 22.951 -12.122 -4.983 1.00 44.92 N ATOM 131 CZ ARG A 78 24.110 -12.576 -4.505 1.00 45.68 C ATOM 132 NH1 ARG A 78 25.181 -11.786 -4.485 1.00 37.43 N ATOM 133 NH2 ARG A 78 24.200 -13.823 -4.048 1.00 48.23 N ATOM 134 HE ARG A 78 22.138 -12.771 -4.983 1.00 0.00 H ATOM 135 HH12 ARG A 78 26.084 -12.143 -4.112 1.00 0.00 H ATOM 136 HH11 ARG A 78 25.115 -10.812 -4.843 1.00 0.00 H ATOM 137 HH22 ARG A 78 25.104 -14.176 -3.675 1.00 0.00 H ATOM 138 HH21 ARG A 78 23.366 -14.444 -4.064 1.00 0.00 H ATOM 139 H ARG A 78 18.307 -9.702 -3.665 1.00 0.00 H ATOM 140 N ILE A 79 19.148 -7.739 -6.093 1.00 18.40 N ATOM 141 CA ILE A 79 19.057 -6.675 -7.084 1.00 17.17 C ATOM 142 C ILE A 79 19.386 -5.314 -6.465 1.00 17.00 C ATOM 143 O ILE A 79 20.139 -4.521 -7.053 1.00 14.36 O ATOM 144 CB ILE A 79 17.668 -6.659 -7.748 1.00 17.61 C ATOM 145 CG1 ILE A 79 17.526 -7.890 -8.652 1.00 26.90 C ATOM 146 CG2 ILE A 79 17.473 -5.387 -8.541 1.00 22.03 C ATOM 147 CD1 ILE A 79 16.138 -8.082 -9.240 1.00 35.37 C ATOM 148 H ILE A 79 18.311 -8.321 -5.887 1.00 0.00 H ATOM 149 N TYR A 80 18.848 -5.050 -5.273 1.00 15.15 N ATOM 150 CA TYR A 80 19.114 -3.769 -4.610 1.00 14.89 C ATOM 151 C TYR A 80 20.594 -3.670 -4.208 1.00 16.41 C ATOM 152 O TYR A 80 21.184 -2.597 -4.264 1.00 15.47 O ATOM 153 CB TYR A 80 18.231 -3.572 -3.380 1.00 13.43 C ATOM 154 CG TYR A 80 16.738 -3.543 -3.622 1.00 18.50 C ATOM 155 CD1 TYR A 80 16.209 -3.315 -4.892 1.00 18.93 C ATOM 156 CD2 TYR A 80 15.854 -3.732 -2.563 1.00 17.64 C ATOM 157 CE1 TYR A 80 14.833 -3.277 -5.097 1.00 21.01 C ATOM 158 CE2 TYR A 80 14.494 -3.696 -2.753 1.00 20.54 C ATOM 159 CZ TYR A 80 13.988 -3.475 -4.023 1.00 24.25 C ATOM 160 OH TYR A 80 12.628 -3.442 -4.208 1.00 24.80 O ATOM 161 HH TYR A 80 12.430 -3.276 -5.164 1.00 0.00 H ATOM 162 H TYR A 80 18.238 -5.755 -4.812 1.00 0.00 H ATOM 163 N PHE A 81 21.198 -4.783 -3.803 1.00 14.01 N ATOM 164 CA PHE A 81 22.642 -4.799 -3.553 1.00 12.16 C ATOM 165 C PHE A 81 23.419 -4.422 -4.825 1.00 18.41 C ATOM 166 O PHE A 81 24.289 -3.545 -4.799 1.00 18.84 O ATOM 167 CB PHE A 81 23.081 -6.180 -3.033 1.00 14.30 C ATOM 168 CG PHE A 81 24.567 -6.302 -2.761 1.00 16.08 C ATOM 169 CD1 PHE A 81 25.095 -5.959 -1.521 1.00 13.49 C ATOM 170 CD2 PHE A 81 25.425 -6.793 -3.735 1.00 19.76 C ATOM 171 CE1 PHE A 81 26.462 -6.095 -1.273 1.00 15.06 C ATOM 172 CE2 PHE A 81 26.788 -6.926 -3.494 1.00 17.15 C ATOM 173 CZ PHE A 81 27.305 -6.573 -2.267 1.00 15.56 C ATOM 174 H PHE A 81 20.641 -5.650 -3.662 1.00 0.00 H ATOM 175 N ASN A 82 23.099 -5.078 -5.937 1.00 16.41 N ATOM 176 CA ASN A 82 23.762 -4.800 -7.217 1.00 15.54 C ATOM 177 C ASN A 82 23.628 -3.352 -7.665 1.00 19.50 C ATOM 178 O ASN A 82 24.511 -2.819 -8.352 1.00 20.30 O ATOM 179 CB ASN A 82 23.215 -5.721 -8.306 1.00 21.78 C ATOM 180 CG ASN A 82 23.647 -7.163 -8.115 1.00 25.73 C ATOM 181 OD1 ASN A 82 24.625 -7.434 -7.420 1.00 28.24 O ATOM 182 ND2 ASN A 82 22.928 -8.091 -8.740 1.00 27.80 N ATOM 183 HD22 ASN A 82 22.109 -7.813 -9.317 1.00 0.00 H ATOM 184 HD21 ASN A 82 23.185 -9.095 -8.652 1.00 0.00 H ATOM 185 H ASN A 82 22.359 -5.808 -5.899 1.00 0.00 H ATOM 186 N GLU A 83 22.515 -2.727 -7.289 1.00 20.15 N ATOM 187 CA GLU A 83 22.254 -1.336 -7.644 1.00 21.57 C ATOM 188 C GLU A 83 23.226 -0.380 -6.959 1.00 18.54 C ATOM 189 O GLU A 83 23.544 0.685 -7.500 1.00 19.44 O ATOM 190 CB GLU A 83 20.820 -0.942 -7.259 1.00 17.49 C ATOM 191 CG GLU A 83 19.735 -1.527 -8.149 1.00 18.98 C ATOM 192 CD GLU A 83 18.326 -1.253 -7.621 1.00 24.98 C ATOM 193 OE1 GLU A 83 18.181 -0.850 -6.443 1.00 24.25 O ATOM 194 OE2 GLU A 83 17.357 -1.454 -8.385 1.00 29.31 O ATOM 195 H GLU A 83 21.811 -3.245 -6.726 1.00 0.00 H ATOM 196 N LYS A 84 23.673 -0.753 -5.762 1.00 15.79 N ATOM 197 CA LYS A 84 24.422 0.168 -4.903 1.00 15.52 C ATOM 198 C LYS A 84 25.855 -0.268 -4.616 1.00 16.20 C ATOM 199 O LYS A 84 26.641 0.510 -4.086 1.00 15.22 O ATOM 200 CB LYS A 84 23.688 0.398 -3.570 1.00 17.02 C ATOM 201 CG LYS A 84 22.384 1.186 -3.675 1.00 17.21 C ATOM 202 CD LYS A 84 22.647 2.624 -4.110 1.00 20.42 C ATOM 203 CE LYS A 84 21.371 3.458 -4.068 1.00 25.41 C ATOM 204 NZ LYS A 84 20.366 3.072 -5.106 1.00 25.77 N ATOM 205 HZ1 LYS A 84 20.783 3.190 -6.051 1.00 0.00 H ATOM 206 HZ2 LYS A 84 20.092 2.078 -4.969 1.00 0.00 H ATOM 207 HZ3 LYS A 84 19.527 3.680 -5.017 1.00 0.00 H ATOM 208 H LYS A 84 23.486 -1.720 -5.429 1.00 0.00 H ATOM 209 N SER A 85 26.204 -1.500 -4.963 1.00 16.75 N ATOM 210 CA SER A 85 27.517 -2.035 -4.596 1.00 17.08 C ATOM 211 C SER A 85 28.643 -1.372 -5.372 1.00 18.82 C ATOM 212 O SER A 85 28.435 -0.824 -6.464 1.00 20.39 O ATOM 213 CB SER A 85 27.582 -3.544 -4.826 1.00 18.23 C ATOM 214 OG SER A 85 27.600 -3.849 -6.209 1.00 21.23 O ATOM 215 HG SER A 85 28.393 -3.430 -6.628 1.00 0.00 H ATOM 216 H SER A 85 25.539 -2.092 -5.501 1.00 0.00 H ATOM 217 N SER A 86 29.842 -1.435 -4.803 1.00 17.17 N ATOM 218 CA SER A 86 31.048 -0.957 -5.476 1.00 18.38 C ATOM 219 C SER A 86 32.204 -1.824 -5.028 1.00 24.19 C ATOM 220 O SER A 86 32.436 -1.985 -3.822 1.00 21.61 O ATOM 221 CB SER A 86 31.345 0.502 -5.141 1.00 22.47 C ATOM 222 OG SER A 86 32.558 0.896 -5.767 1.00 29.34 O ATOM 223 HG SER A 86 32.749 1.843 -5.548 1.00 0.00 H ATOM 224 H SER A 86 29.925 -1.838 -3.848 1.00 0.00 H ATOM 225 N GLY A 87 32.921 -2.384 -5.996 1.00 21.12 N ATOM 226 CA GLY A 87 33.992 -3.322 -5.705 1.00 25.64 C ATOM 227 C GLY A 87 33.526 -4.522 -4.890 1.00 22.36 C ATOM 228 O GLY A 87 34.284 -5.056 -4.073 1.00 30.83 O ATOM 229 H GLY A 87 32.711 -2.145 -6.986 1.00 0.00 H ATOM 230 N GLY A 88 32.285 -4.942 -5.103 1.00 21.13 N ATOM 231 CA GLY A 88 31.742 -6.105 -4.413 1.00 32.76 C ATOM 232 C GLY A 88 31.217 -5.868 -3.005 1.00 28.97 C ATOM 233 O GLY A 88 30.866 -6.824 -2.295 1.00 27.06 O ATOM 234 H GLY A 88 31.685 -4.428 -5.779 1.00 0.00 H ATOM 235 N LYS A 89 31.150 -4.600 -2.601 1.00 18.44 N ATOM 236 CA LYS A 89 30.752 -4.243 -1.240 1.00 18.46 C ATOM 237 C LYS A 89 29.738 -3.097 -1.235 1.00 18.46 C ATOM 238 O LYS A 89 29.630 -2.343 -2.203 1.00 20.73 O ATOM 239 CB LYS A 89 31.979 -3.847 -0.405 1.00 19.61 C ATOM 240 CG LYS A 89 32.975 -4.992 -0.172 1.00 28.10 C ATOM 241 CD LYS A 89 34.170 -4.538 0.664 1.00 29.32 C ATOM 242 H LYS A 89 31.388 -3.843 -3.273 1.00 0.00 H ATOM 243 N ILE A 90 29.011 -2.959 -0.134 1.00 14.78 N ATOM 244 CA ILE A 90 28.010 -1.914 -0.034 1.00 15.59 C ATOM 245 C ILE A 90 28.226 -1.098 1.233 1.00 18.62 C ATOM 246 O ILE A 90 28.531 -1.651 2.300 1.00 17.32 O ATOM 247 CB ILE A 90 26.566 -2.510 -0.093 1.00 12.10 C ATOM 248 CG1 ILE A 90 25.519 -1.413 -0.279 1.00 14.50 C ATOM 249 CG2 ILE A 90 26.256 -3.341 1.139 1.00 12.15 C ATOM 250 CD1 ILE A 90 24.138 -1.962 -0.437 1.00 12.97 C ATOM 251 H ILE A 90 29.160 -3.607 0.666 1.00 0.00 H ATOM 252 N SER A 91 28.100 0.223 1.118 1.00 15.93 N ATOM 253 CA SER A 91 28.262 1.088 2.286 1.00 18.18 C ATOM 254 C SER A 91 27.085 0.849 3.209 1.00 16.03 C ATOM 255 O SER A 91 26.031 0.367 2.766 1.00 14.21 O ATOM 256 CB SER A 91 28.286 2.552 1.877 1.00 16.20 C ATOM 257 OG SER A 91 26.997 2.967 1.466 1.00 16.31 O ATOM 258 HG SER A 91 27.027 3.921 1.203 1.00 0.00 H ATOM 259 H SER A 91 27.885 0.642 0.191 1.00 0.00 H ATOM 260 N ILE A 92 27.255 1.168 4.490 1.00 13.78 N ATOM 261 CA ILE A 92 26.172 1.023 5.455 1.00 13.89 C ATOM 262 C ILE A 92 25.002 1.946 5.092 1.00 15.42 C ATOM 263 O ILE A 92 23.845 1.548 5.184 1.00 12.80 O ATOM 264 CB ILE A 92 26.657 1.293 6.903 1.00 17.16 C ATOM 265 CG1 ILE A 92 27.566 0.145 7.367 1.00 16.25 C ATOM 266 CG2 ILE A 92 25.475 1.418 7.859 1.00 18.29 C ATOM 267 CD1 ILE A 92 28.146 0.354 8.756 1.00 19.64 C ATOM 268 H ILE A 92 28.178 1.527 4.808 1.00 0.00 H ATOM 269 N ASP A 93 25.302 3.172 4.670 1.00 15.31 N ATOM 270 CA ASP A 93 24.244 4.092 4.238 1.00 18.69 C ATOM 271 C ASP A 93 23.399 3.498 3.111 1.00 13.90 C ATOM 272 O ASP A 93 22.171 3.550 3.155 1.00 16.22 O ATOM 273 CB ASP A 93 24.831 5.432 3.788 1.00 19.01 C ATOM 274 CG ASP A 93 25.261 6.299 4.954 1.00 35.72 C ATOM 275 OD1 ASP A 93 26.148 7.164 4.762 1.00 38.00 O ATOM 276 OD2 ASP A 93 24.709 6.110 6.062 1.00 36.93 O ATOM 277 H ASP A 93 26.295 3.481 4.646 1.00 0.00 H ATOM 278 N ASN A 94 24.051 2.920 2.113 1.00 13.55 N ATOM 279 CA ASN A 94 23.305 2.258 1.047 1.00 14.83 C ATOM 280 C ASN A 94 22.594 0.971 1.480 1.00 14.10 C ATOM 281 O ASN A 94 21.540 0.644 0.949 1.00 12.60 O ATOM 282 CB ASN A 94 24.191 2.009 -0.166 1.00 14.34 C ATOM 283 CG ASN A 94 24.444 3.282 -0.949 1.00 20.94 C ATOM 284 OD1 ASN A 94 23.604 4.189 -0.949 1.00 21.13 O ATOM 285 ND2 ASN A 94 25.603 3.369 -1.602 1.00 20.66 N ATOM 286 HD22 ASN A 94 26.278 2.578 -1.572 1.00 0.00 H ATOM 287 HD21 ASN A 94 25.833 4.228 -2.142 1.00 0.00 H ATOM 288 H ASN A 94 25.091 2.938 2.089 1.00 0.00 H ATOM 289 N ALA A 95 23.169 0.258 2.446 1.00 11.54 N ATOM 290 CA ALA A 95 22.504 -0.924 3.000 1.00 15.86 C ATOM 291 C ALA A 95 21.212 -0.515 3.717 1.00 13.62 C ATOM 292 O ALA A 95 20.182 -1.176 3.573 1.00 13.62 O ATOM 293 CB ALA A 95 23.446 -1.698 3.955 1.00 10.91 C ATOM 294 H ALA A 95 24.100 0.543 2.811 1.00 0.00 H ATOM 295 N SER A 96 21.257 0.569 4.482 1.00 11.70 N ATOM 296 CA SER A 96 20.052 1.064 5.167 1.00 13.26 C ATOM 297 C SER A 96 18.994 1.531 4.168 1.00 12.95 C ATOM 298 O SER A 96 17.790 1.322 4.375 1.00 12.66 O ATOM 299 CB SER A 96 20.373 2.197 6.146 1.00 14.80 C ATOM 300 OG SER A 96 21.201 1.738 7.203 1.00 17.47 O ATOM 301 HG SER A 96 21.393 2.488 7.820 1.00 0.00 H ATOM 302 H SER A 96 22.157 1.076 4.599 1.00 0.00 H ATOM 303 N TYR A 97 19.444 2.176 3.098 1.00 12.73 N ATOM 304 CA TYR A 97 18.538 2.570 2.026 1.00 13.26 C ATOM 305 C TYR A 97 17.843 1.335 1.454 1.00 12.65 C ATOM 306 O TYR A 97 16.622 1.321 1.300 1.00 13.20 O ATOM 307 CB TYR A 97 19.284 3.335 0.928 1.00 16.85 C ATOM 308 CG TYR A 97 18.416 3.690 -0.259 1.00 18.24 C ATOM 309 CD1 TYR A 97 17.541 4.778 -0.209 1.00 16.36 C ATOM 310 CD2 TYR A 97 18.480 2.950 -1.434 1.00 17.83 C ATOM 311 CE1 TYR A 97 16.748 5.106 -1.298 1.00 20.85 C ATOM 312 CE2 TYR A 97 17.693 3.269 -2.525 1.00 20.48 C ATOM 313 CZ TYR A 97 16.827 4.346 -2.453 1.00 24.17 C ATOM 314 OH TYR A 97 16.042 4.664 -3.546 1.00 28.91 O ATOM 315 HH TYR A 97 16.624 4.870 -4.320 1.00 0.00 H ATOM 316 H TYR A 97 20.456 2.403 3.024 1.00 0.00 H ATOM 317 N ASN A 98 18.621 0.307 1.141 1.00 13.50 N ATOM 318 CA ASN A 98 18.056 -0.964 0.676 1.00 14.36 C ATOM 319 C ASN A 98 17.098 -1.603 1.672 1.00 14.15 C ATOM 320 O ASN A 98 16.039 -2.096 1.284 1.00 13.66 O ATOM 321 CB ASN A 98 19.172 -1.950 0.323 1.00 11.10 C ATOM 322 CG ASN A 98 19.869 -1.583 -0.957 1.00 14.78 C ATOM 323 OD1 ASN A 98 19.497 -0.609 -1.621 1.00 14.26 O ATOM 324 ND2 ASN A 98 20.889 -2.350 -1.316 1.00 11.37 N ATOM 325 HD22 ASN A 98 21.165 -3.159 -0.724 1.00 0.00 H ATOM 326 HD21 ASN A 98 21.413 -2.142 -2.190 1.00 0.00 H ATOM 327 H ASN A 98 19.653 0.404 1.227 1.00 0.00 H ATOM 328 N ALA A 99 17.468 -1.595 2.949 1.00 11.32 N ATOM 329 CA ALA A 99 16.601 -2.155 3.987 1.00 13.95 C ATOM 330 C ALA A 99 15.234 -1.458 3.991 1.00 14.93 C ATOM 331 O ALA A 99 14.184 -2.103 4.095 1.00 12.93 O ATOM 332 CB ALA A 99 17.283 -2.047 5.362 1.00 11.68 C ATOM 333 H ALA A 99 18.386 -1.185 3.214 1.00 0.00 H ATOM 334 N ARG A 100 15.251 -0.136 3.850 1.00 14.52 N ATOM 335 CA ARG A 100 14.013 0.636 3.828 1.00 15.89 C ATOM 336 C ARG A 100 13.176 0.303 2.601 1.00 19.90 C ATOM 337 O ARG A 100 11.944 0.185 2.701 1.00 16.60 O ATOM 338 CB ARG A 100 14.309 2.136 3.919 1.00 14.84 C ATOM 339 CG ARG A 100 14.837 2.524 5.296 1.00 16.08 C ATOM 340 CD ARG A 100 15.557 3.880 5.339 1.00 15.83 C ATOM 341 NE ARG A 100 16.027 4.106 6.708 1.00 20.57 N ATOM 342 CZ ARG A 100 17.192 4.655 7.048 1.00 22.80 C ATOM 343 NH1 ARG A 100 18.040 5.077 6.119 1.00 20.83 N ATOM 344 NH2 ARG A 100 17.499 4.788 8.335 1.00 21.65 N ATOM 345 HE ARG A 100 15.397 3.812 7.481 1.00 0.00 H ATOM 346 HH12 ARG A 100 18.946 5.504 6.398 1.00 0.00 H ATOM 347 HH11 ARG A 100 17.798 4.981 5.112 1.00 0.00 H ATOM 348 HH22 ARG A 100 18.406 5.215 8.612 1.00 0.00 H ATOM 349 HH21 ARG A 100 16.832 4.465 9.065 1.00 0.00 H ATOM 350 H ARG A 100 16.162 0.356 3.754 1.00 0.00 H ATOM 351 N LYS A 101 13.832 0.147 1.450 1.00 15.25 N ATOM 352 CA LYS A 101 13.115 -0.234 0.223 1.00 16.78 C ATOM 353 C LYS A 101 12.450 -1.590 0.388 1.00 19.19 C ATOM 354 O LYS A 101 11.395 -1.853 -0.200 1.00 19.67 O ATOM 355 CB LYS A 101 14.046 -0.263 -1.004 1.00 20.70 C ATOM 356 CG LYS A 101 14.420 1.107 -1.557 1.00 20.50 C ATOM 357 CD LYS A 101 14.613 1.100 -3.095 1.00 21.09 C ATOM 358 CE LYS A 101 15.754 0.188 -3.533 1.00 22.70 C ATOM 359 NZ LYS A 101 15.933 0.191 -5.018 1.00 20.49 N ATOM 360 HZ1 LYS A 101 15.058 -0.141 -5.472 1.00 0.00 H ATOM 361 HZ2 LYS A 101 16.147 1.157 -5.338 1.00 0.00 H ATOM 362 HZ3 LYS A 101 16.718 -0.442 -5.273 1.00 0.00 H ATOM 363 H LYS A 101 14.861 0.296 1.420 1.00 0.00 H ATOM 364 N LEU A 102 13.066 -2.446 1.197 1.00 15.16 N ATOM 365 CA LEU A 102 12.543 -3.788 1.469 1.00 15.40 C ATOM 366 C LEU A 102 11.460 -3.772 2.556 1.00 18.01 C ATOM 367 O LEU A 102 10.925 -4.817 2.920 1.00 20.98 O ATOM 368 CB LEU A 102 13.680 -4.730 1.884 1.00 13.98 C ATOM 369 CG LEU A 102 14.738 -5.081 0.833 1.00 15.74 C ATOM 370 CD1 LEU A 102 15.998 -5.602 1.507 1.00 15.58 C ATOM 371 CD2 LEU A 102 14.210 -6.114 -0.190 1.00 14.86 C ATOM 372 H LEU A 102 13.953 -2.152 1.654 1.00 0.00 H ATOM 373 N GLY A 103 11.143 -2.585 3.069 1.00 18.10 N ATOM 374 CA GLY A 103 10.120 -2.434 4.093 1.00 18.70 C ATOM 375 C GLY A 103 10.605 -2.585 5.531 1.00 18.20 C ATOM 376 O GLY A 103 9.798 -2.732 6.453 1.00 18.40 O ATOM 377 H GLY A 103 11.642 -1.739 2.727 1.00 0.00 H ATOM 378 N LEU A 104 11.919 -2.546 5.736 1.00 15.32 N ATOM 379 CA LEU A 104 12.482 -2.680 7.076 1.00 17.18 C ATOM 380 C LEU A 104 12.825 -1.292 7.621 1.00 18.04 C ATOM 381 O LEU A 104 12.912 -0.316 6.858 1.00 17.38 O ATOM 382 CB LEU A 104 13.728 -3.564 7.036 1.00 16.36 C ATOM 383 CG LEU A 104 13.516 -4.920 6.358 1.00 17.44 C ATOM 384 CD1 LEU A 104 14.825 -5.699 6.331 1.00 17.26 C ATOM 385 CD2 LEU A 104 12.445 -5.707 7.091 1.00 21.88 C ATOM 386 H LEU A 104 12.558 -2.417 4.925 1.00 0.00 H ATOM 387 N ALA A 105 13.015 -1.195 8.934 1.00 15.80 N ATOM 388 CA ALA A 105 13.245 0.107 9.554 1.00 17.00 C ATOM 389 C ALA A 105 14.421 0.112 10.521 1.00 13.08 C ATOM 390 O ALA A 105 14.228 0.056 11.734 1.00 13.60 O ATOM 391 CB ALA A 105 11.975 0.581 10.263 1.00 19.56 C ATOM 392 H ALA A 105 13.000 -2.052 9.523 1.00 0.00 H ATOM 393 N PRO A 106 15.650 0.219 9.986 1.00 12.48 N ATOM 394 CA PRO A 106 16.844 0.321 10.828 1.00 14.05 C ATOM 395 C PRO A 106 16.962 1.654 11.549 1.00 15.73 C ATOM 396 O PRO A 106 16.567 2.697 11.019 1.00 15.47 O ATOM 397 CB PRO A 106 17.994 0.225 9.823 1.00 15.98 C ATOM 398 CG PRO A 106 17.407 0.588 8.518 1.00 16.99 C ATOM 399 CD PRO A 106 15.983 0.156 8.552 1.00 16.68 C ATOM 400 N SER A 107 17.532 1.613 12.748 1.00 14.61 N ATOM 401 CA SER A 107 17.869 2.818 13.484 1.00 14.56 C ATOM 402 C SER A 107 19.386 2.884 13.567 1.00 16.64 C ATOM 403 O SER A 107 20.073 2.007 13.039 1.00 14.91 O ATOM 404 CB SER A 107 17.299 2.739 14.892 1.00 19.92 C ATOM 405 OG SER A 107 17.999 1.752 15.631 1.00 16.91 O ATOM 406 HG SER A 107 17.627 1.702 16.547 1.00 0.00 H ATOM 407 H SER A 107 17.744 0.688 13.173 1.00 0.00 H ATOM 408 N SER A 108 19.913 3.906 14.236 1.00 15.18 N ATOM 409 CA SER A 108 21.366 4.027 14.389 1.00 14.07 C ATOM 410 C SER A 108 21.933 2.888 15.222 1.00 17.00 C ATOM 411 O SER A 108 23.113 2.568 15.103 1.00 20.30 O ATOM 412 CB SER A 108 21.745 5.361 15.025 1.00 20.96 C ATOM 413 OG SER A 108 21.298 5.423 16.365 1.00 25.38 O ATOM 414 HG SER A 108 20.313 5.326 16.388 1.00 0.00 H ATOM 415 H SER A 108 19.289 4.625 14.654 1.00 0.00 H ATOM 416 N ILE A 109 21.096 2.272 16.061 1.00 17.66 N ATOM 417 CA ILE A 109 21.539 1.148 16.892 1.00 21.25 C ATOM 418 C ILE A 109 21.970 -0.005 15.996 1.00 14.89 C ATOM 419 O ILE A 109 22.978 -0.668 16.246 1.00 16.83 O ATOM 420 CB ILE A 109 20.408 0.626 17.807 1.00 23.52 C ATOM 421 CG1 ILE A 109 19.808 1.754 18.650 1.00 27.01 C ATOM 422 CG2 ILE A 109 20.906 -0.525 18.692 1.00 28.38 C ATOM 423 CD1 ILE A 109 20.801 2.411 19.575 1.00 26.79 C ATOM 424 H ILE A 109 20.110 2.596 16.126 1.00 0.00 H ATOM 425 N ASP A 110 21.192 -0.242 14.948 1.00 13.59 N ATOM 426 CA ASP A 110 21.445 -1.353 14.046 1.00 14.73 C ATOM 427 C ASP A 110 22.661 -1.046 13.199 1.00 12.93 C ATOM 428 O ASP A 110 23.496 -1.919 12.965 1.00 13.80 O ATOM 429 CB ASP A 110 20.225 -1.600 13.159 1.00 14.62 C ATOM 430 CG ASP A 110 18.937 -1.789 13.970 1.00 21.70 C ATOM 431 OD1 ASP A 110 18.985 -2.495 15.006 1.00 19.30 O ATOM 432 OD2 ASP A 110 17.882 -1.231 13.578 1.00 19.71 O ATOM 433 H ASP A 110 20.381 0.383 14.767 1.00 0.00 H ATOM 434 N GLU A 111 22.751 0.199 12.736 1.00 14.30 N ATOM 435 CA GLU A 111 23.880 0.621 11.914 1.00 16.31 C ATOM 436 C GLU A 111 25.186 0.541 12.690 1.00 16.76 C ATOM 437 O GLU A 111 26.191 0.069 12.167 1.00 15.90 O ATOM 438 CB GLU A 111 23.667 2.047 11.383 1.00 14.39 C ATOM 439 CG GLU A 111 22.516 2.169 10.406 1.00 21.82 C ATOM 440 CD GLU A 111 22.382 3.564 9.830 1.00 28.29 C ATOM 441 OE1 GLU A 111 22.747 4.541 10.517 1.00 26.62 O ATOM 442 OE2 GLU A 111 21.902 3.685 8.685 1.00 24.81 O ATOM 443 H GLU A 111 22.002 0.884 12.965 1.00 0.00 H ATOM 444 N LYS A 112 25.182 1.002 13.935 1.00 16.28 N ATOM 445 CA LYS A 112 26.418 0.980 14.730 1.00 17.11 C ATOM 446 C LYS A 112 26.857 -0.443 15.080 1.00 17.92 C ATOM 447 O LYS A 112 28.059 -0.745 15.149 1.00 17.17 O ATOM 448 CB LYS A 112 26.280 1.866 15.976 1.00 18.59 C ATOM 449 CG LYS A 112 26.233 3.362 15.639 1.00 26.66 C ATOM 450 CD LYS A 112 26.055 4.222 16.890 1.00 29.51 C ATOM 451 CE LYS A 112 26.155 5.718 16.571 1.00 30.90 C ATOM 452 H LYS A 112 24.305 1.379 14.348 1.00 0.00 H ATOM 453 N LYS A 113 25.880 -1.317 15.280 1.00 16.48 N ATOM 454 CA LYS A 113 26.153 -2.729 15.548 1.00 16.16 C ATOM 455 C LYS A 113 26.892 -3.413 14.384 1.00 17.08 C ATOM 456 O LYS A 113 27.913 -4.075 14.592 1.00 15.59 O ATOM 457 CB LYS A 113 24.841 -3.450 15.881 1.00 18.74 C ATOM 458 CG LYS A 113 24.965 -4.935 16.113 1.00 28.92 C ATOM 459 CD LYS A 113 23.641 -5.544 16.605 1.00 35.99 C ATOM 460 CE LYS A 113 23.282 -5.060 18.008 1.00 37.43 C ATOM 461 NZ LYS A 113 22.242 -5.921 18.633 1.00 42.30 N ATOM 462 HZ1 LYS A 113 21.382 -5.904 18.048 1.00 0.00 H ATOM 463 HZ2 LYS A 113 22.596 -6.896 18.702 1.00 0.00 H ATOM 464 HZ3 LYS A 113 22.023 -5.563 19.584 1.00 0.00 H ATOM 465 H LYS A 113 24.893 -0.990 15.245 1.00 0.00 H ATOM 466 N ILE A 114 26.398 -3.243 13.156 1.00 12.74 N ATOM 467 CA ILE A 114 27.036 -3.885 12.018 1.00 11.70 C ATOM 468 C ILE A 114 28.387 -3.221 11.740 1.00 15.63 C ATOM 469 O ILE A 114 29.337 -3.878 11.310 1.00 14.60 O ATOM 470 CB ILE A 114 26.131 -3.913 10.754 1.00 12.39 C ATOM 471 CG1 ILE A 114 26.601 -5.002 9.784 1.00 14.08 C ATOM 472 CG2 ILE A 114 26.052 -2.529 10.050 1.00 12.78 C ATOM 473 CD1 ILE A 114 26.219 -6.396 10.229 1.00 14.05 C ATOM 474 H ILE A 114 25.555 -2.650 13.013 1.00 0.00 H ATOM 475 N LYS A 115 28.487 -1.924 12.023 1.00 13.03 N ATOM 476 CA LYS A 115 29.745 -1.220 11.828 1.00 12.57 C ATOM 477 C LYS A 115 30.820 -1.739 12.775 1.00 17.18 C ATOM 478 O LYS A 115 31.975 -1.924 12.375 1.00 18.42 O ATOM 479 CB LYS A 115 29.566 0.299 11.994 1.00 13.77 C ATOM 480 CG LYS A 115 30.806 1.097 11.582 1.00 18.17 C ATOM 481 CD LYS A 115 30.576 2.603 11.671 1.00 17.75 C ATOM 482 CE LYS A 115 31.811 3.374 11.177 1.00 17.03 C ATOM 483 NZ LYS A 115 31.646 4.859 11.351 1.00 26.31 N ATOM 484 HZ1 LYS A 115 30.820 5.181 10.808 1.00 0.00 H ATOM 485 HZ2 LYS A 115 31.506 5.075 12.359 1.00 0.00 H ATOM 486 HZ3 LYS A 115 32.499 5.344 11.007 1.00 0.00 H ATOM 487 H LYS A 115 27.659 -1.410 12.386 1.00 0.00 H ATOM 488 N GLU A 116 30.451 -1.983 14.028 1.00 16.45 N ATOM 489 CA GLU A 116 31.416 -2.489 14.990 1.00 19.38 C ATOM 490 C GLU A 116 31.985 -3.823 14.526 1.00 22.14 C ATOM 491 O GLU A 116 33.176 -4.094 14.692 1.00 17.03 O ATOM 492 CB GLU A 116 30.778 -2.634 16.374 1.00 17.84 C ATOM 493 H GLU A 116 29.468 -1.811 14.321 1.00 0.00 H ATOM 494 N LEU A 117 31.134 -4.645 13.919 1.00 16.80 N ATOM 495 CA LEU A 117 31.567 -5.962 13.467 1.00 18.36 C ATOM 496 C LEU A 117 32.417 -5.888 12.206 1.00 25.56 C ATOM 497 O LEU A 117 33.478 -6.513 12.126 1.00 21.01 O ATOM 498 CB LEU A 117 30.354 -6.860 13.223 1.00 17.14 C ATOM 499 CG LEU A 117 29.608 -7.263 14.493 1.00 19.29 C ATOM 500 CD1 LEU A 117 28.301 -7.970 14.171 1.00 23.28 C ATOM 501 CD2 LEU A 117 30.490 -8.143 15.387 1.00 24.74 C ATOM 502 H LEU A 117 30.150 -4.346 13.765 1.00 0.00 H ATOM 503 N TYR A 118 31.964 -5.110 11.225 1.00 15.48 N ATOM 504 CA TYR A 118 32.478 -5.267 9.870 1.00 18.51 C ATOM 505 C TYR A 118 33.034 -4.002 9.232 1.00 18.29 C ATOM 506 O TYR A 118 33.569 -4.052 8.122 1.00 21.76 O ATOM 507 CB TYR A 118 31.364 -5.815 8.986 1.00 15.26 C ATOM 508 CG TYR A 118 30.930 -7.216 9.324 1.00 12.98 C ATOM 509 CD1 TYR A 118 31.862 -8.251 9.432 1.00 17.40 C ATOM 510 CD2 TYR A 118 29.586 -7.510 9.531 1.00 13.42 C ATOM 511 CE1 TYR A 118 31.465 -9.544 9.718 1.00 21.05 C ATOM 512 CE2 TYR A 118 29.180 -8.799 9.812 1.00 15.61 C ATOM 513 CZ TYR A 118 30.123 -9.810 9.905 1.00 18.18 C ATOM 514 OH TYR A 118 29.720 -11.092 10.180 1.00 17.69 O ATOM 515 HH TYR A 118 29.102 -11.401 9.472 1.00 0.00 H ATOM 516 H TYR A 118 31.242 -4.389 11.426 1.00 0.00 H ATOM 517 N GLY A 119 32.916 -2.871 9.920 1.00 17.47 N ATOM 518 CA GLY A 119 33.289 -1.600 9.316 1.00 19.19 C ATOM 519 C GLY A 119 32.176 -1.047 8.436 1.00 15.57 C ATOM 520 O GLY A 119 31.053 -1.549 8.463 1.00 18.77 O ATOM 521 H GLY A 119 32.555 -2.894 10.895 1.00 0.00 H ATOM 522 N ASP A 120 32.482 -0.025 7.641 1.00 18.76 N ATOM 523 CA ASP A 120 31.431 0.748 6.964 1.00 20.02 C ATOM 524 C ASP A 120 31.144 0.285 5.537 1.00 18.87 C ATOM 525 O ASP A 120 30.298 0.872 4.843 1.00 18.56 O ATOM 526 CB ASP A 120 31.800 2.234 6.948 1.00 26.35 C ATOM 527 CG ASP A 120 33.032 2.518 6.110 1.00 34.96 C ATOM 528 H ASP A 120 33.480 0.231 7.496 1.00 0.00 H ATOM 529 N ASN A 121 31.850 -0.762 5.113 1.00 16.62 N ATOM 530 CA ASN A 121 31.745 -1.306 3.763 1.00 17.38 C ATOM 531 C ASN A 121 31.520 -2.832 3.859 1.00 19.70 C ATOM 532 O ASN A 121 32.432 -3.571 4.250 1.00 20.20 O ATOM 533 CB ASN A 121 33.053 -0.995 3.025 1.00 27.24 C ATOM 534 CG ASN A 121 32.869 -0.828 1.531 1.00 36.09 C ATOM 535 OD1 ASN A 121 31.778 -0.513 1.058 1.00 40.56 O ATOM 536 ND2 ASN A 121 33.952 -1.023 0.775 1.00 38.88 N ATOM 537 HD22 ASN A 121 34.855 -1.289 1.218 1.00 0.00 H ATOM 538 HD21 ASN A 121 33.893 -0.909 -0.257 1.00 0.00 H ATOM 539 H ASN A 121 32.509 -1.215 5.778 1.00 0.00 H ATOM 540 N LEU A 122 30.319 -3.297 3.504 1.00 16.55 N ATOM 541 CA LEU A 122 29.901 -4.686 3.766 1.00 16.46 C ATOM 542 C LEU A 122 29.925 -5.579 2.534 1.00 17.75 C ATOM 543 O LEU A 122 29.486 -5.172 1.456 1.00 18.11 O ATOM 544 CB LEU A 122 28.475 -4.712 4.329 1.00 16.66 C ATOM 545 CG LEU A 122 28.172 -3.729 5.460 1.00 14.68 C ATOM 546 CD1 LEU A 122 26.691 -3.782 5.857 1.00 20.93 C ATOM 547 CD2 LEU A 122 29.066 -4.043 6.655 1.00 16.09 C ATOM 548 H LEU A 122 29.655 -2.656 3.025 1.00 0.00 H ATOM 549 N THR A 123 30.400 -6.812 2.714 1.00 16.27 N ATOM 550 CA THR A 123 30.265 -7.840 1.686 1.00 16.29 C ATOM 551 C THR A 123 28.795 -8.227 1.587 1.00 15.71 C ATOM 552 O THR A 123 27.983 -7.856 2.448 1.00 15.59 O ATOM 553 CB THR A 123 31.056 -9.097 2.041 1.00 19.27 C ATOM 554 OG1 THR A 123 30.511 -9.679 3.231 1.00 17.10 O ATOM 555 CG2 THR A 123 32.527 -8.772 2.258 1.00 19.79 C ATOM 556 HG1 THR A 123 30.572 -9.027 3.974 1.00 0.00 H ATOM 557 H THR A 123 30.878 -7.047 3.607 1.00 0.00 H ATOM 558 N TYR A 124 28.443 -8.983 0.554 1.00 16.19 N ATOM 559 CA TYR A 124 27.056 -9.389 0.394 1.00 16.39 C ATOM 560 C TYR A 124 26.537 -10.144 1.620 1.00 15.52 C ATOM 561 O TYR A 124 25.427 -9.892 2.107 1.00 14.70 O ATOM 562 CB TYR A 124 26.888 -10.256 -0.854 1.00 19.44 C ATOM 563 CG TYR A 124 25.446 -10.604 -1.108 1.00 18.19 C ATOM 564 CD1 TYR A 124 24.550 -9.645 -1.570 1.00 17.12 C ATOM 565 CD2 TYR A 124 24.975 -11.886 -0.873 1.00 21.69 C ATOM 566 CE1 TYR A 124 23.233 -9.962 -1.797 1.00 20.09 C ATOM 567 CE2 TYR A 124 23.660 -12.212 -1.101 1.00 23.25 C ATOM 568 CZ TYR A 124 22.796 -11.249 -1.565 1.00 27.06 C ATOM 569 OH TYR A 124 21.481 -11.575 -1.788 1.00 24.92 O ATOM 570 HH TYR A 124 21.431 -12.296 -2.464 1.00 0.00 H ATOM 571 H TYR A 124 29.158 -9.284 -0.139 1.00 0.00 H ATOM 572 N GLU A 125 27.332 -11.076 2.129 1.00 16.47 N ATOM 573 CA GLU A 125 26.887 -11.855 3.279 1.00 18.97 C ATOM 574 C GLU A 125 26.756 -10.974 4.515 1.00 18.88 C ATOM 575 O GLU A 125 25.845 -11.165 5.323 1.00 17.17 O ATOM 576 CB GLU A 125 27.827 -13.036 3.541 1.00 23.91 C ATOM 577 CG GLU A 125 27.747 -13.611 4.947 1.00 31.59 C ATOM 578 CD GLU A 125 26.420 -14.278 5.251 1.00 41.09 C ATOM 579 OE1 GLU A 125 25.710 -14.688 4.302 1.00 46.13 O ATOM 580 OE2 GLU A 125 26.096 -14.402 6.453 1.00 40.17 O ATOM 581 H GLU A 125 28.268 -11.250 1.710 1.00 0.00 H ATOM 582 N GLN A 126 27.647 -9.995 4.658 1.00 15.16 N ATOM 583 CA GLN A 126 27.568 -9.093 5.805 1.00 14.40 C ATOM 584 C GLN A 126 26.344 -8.194 5.714 1.00 14.37 C ATOM 585 O GLN A 126 25.746 -7.854 6.724 1.00 13.61 O ATOM 586 CB GLN A 126 28.838 -8.258 5.929 1.00 14.67 C ATOM 587 CG GLN A 126 30.018 -9.076 6.432 1.00 18.51 C ATOM 588 CD GLN A 126 31.358 -8.499 6.036 1.00 18.41 C ATOM 589 OE1 GLN A 126 31.439 -7.426 5.449 1.00 16.26 O ATOM 590 NE2 GLN A 126 32.427 -9.232 6.345 1.00 19.52 N ATOM 591 HE22 GLN A 126 32.310 -10.137 6.844 1.00 0.00 H ATOM 592 HE21 GLN A 126 33.378 -8.899 6.087 1.00 0.00 H ATOM 593 H GLN A 126 28.401 -9.872 3.952 1.00 0.00 H ATOM 594 N TYR A 127 25.998 -7.819 4.489 1.00 13.46 N ATOM 595 CA TYR A 127 24.777 -7.080 4.178 1.00 16.83 C ATOM 596 C TYR A 127 23.535 -7.904 4.544 1.00 13.67 C ATOM 597 O TYR A 127 22.607 -7.384 5.139 1.00 11.76 O ATOM 598 CB TYR A 127 24.825 -6.692 2.694 1.00 13.74 C ATOM 599 CG TYR A 127 23.534 -6.366 1.949 1.00 12.26 C ATOM 600 CD1 TYR A 127 22.890 -5.145 2.118 1.00 13.84 C ATOM 601 CD2 TYR A 127 23.033 -7.243 0.992 1.00 13.41 C ATOM 602 CE1 TYR A 127 21.738 -4.830 1.384 1.00 13.18 C ATOM 603 CE2 TYR A 127 21.898 -6.944 0.259 1.00 13.03 C ATOM 604 CZ TYR A 127 21.259 -5.739 0.457 1.00 13.68 C ATOM 605 OH TYR A 127 20.143 -5.445 -0.285 1.00 15.00 O ATOM 606 HH TYR A 127 20.378 -5.446 -1.247 1.00 0.00 H ATOM 607 H TYR A 127 26.634 -8.066 3.704 1.00 0.00 H ATOM 608 N LEU A 128 23.525 -9.188 4.199 1.00 13.09 N ATOM 609 CA LEU A 128 22.446 -10.079 4.650 1.00 15.84 C ATOM 610 C LEU A 128 22.306 -10.110 6.180 1.00 17.29 C ATOM 611 O LEU A 128 21.194 -10.026 6.720 1.00 13.92 O ATOM 612 CB LEU A 128 22.672 -11.508 4.136 1.00 16.63 C ATOM 613 CG LEU A 128 22.636 -11.727 2.620 1.00 17.33 C ATOM 614 CD1 LEU A 128 22.642 -13.222 2.268 1.00 20.98 C ATOM 615 CD2 LEU A 128 21.438 -11.059 2.006 1.00 19.76 C ATOM 616 H LEU A 128 24.289 -9.566 3.603 1.00 0.00 H ATOM 617 N GLU A 129 23.429 -10.251 6.882 1.00 14.39 N ATOM 618 CA GLU A 129 23.401 -10.235 8.344 1.00 15.99 C ATOM 619 C GLU A 129 22.842 -8.912 8.880 1.00 16.73 C ATOM 620 O GLU A 129 22.058 -8.904 9.849 1.00 14.80 O ATOM 621 CB GLU A 129 24.791 -10.507 8.910 1.00 14.55 C ATOM 622 CG GLU A 129 25.301 -11.911 8.569 1.00 15.89 C ATOM 623 CD GLU A 129 26.702 -12.158 9.084 1.00 23.49 C ATOM 624 OE1 GLU A 129 27.176 -11.360 9.918 1.00 23.43 O ATOM 625 OE2 GLU A 129 27.335 -13.141 8.647 1.00 29.32 O ATOM 626 H GLU A 129 24.335 -10.374 6.386 1.00 0.00 H ATOM 627 N TYR A 130 23.229 -7.804 8.240 1.00 12.88 N ATOM 628 CA TYR A 130 22.692 -6.488 8.604 1.00 11.88 C ATOM 629 C TYR A 130 21.182 -6.433 8.450 1.00 12.19 C ATOM 630 O TYR A 130 20.477 -5.990 9.362 1.00 14.10 O ATOM 631 CB TYR A 130 23.331 -5.372 7.776 1.00 11.23 C ATOM 632 CG TYR A 130 22.724 -4.011 8.068 1.00 11.48 C ATOM 633 CD1 TYR A 130 22.663 -3.529 9.374 1.00 12.30 C ATOM 634 CD2 TYR A 130 22.223 -3.214 7.045 1.00 15.08 C ATOM 635 CE1 TYR A 130 22.113 -2.291 9.660 1.00 14.91 C ATOM 636 CE2 TYR A 130 21.670 -1.963 7.316 1.00 14.33 C ATOM 637 CZ TYR A 130 21.625 -1.514 8.629 1.00 19.18 C ATOM 638 OH TYR A 130 21.083 -0.286 8.907 1.00 17.03 O ATOM 639 HH TYR A 130 21.593 0.414 8.428 1.00 0.00 H ATOM 640 H TYR A 130 23.924 -7.876 7.470 1.00 0.00 H ATOM 641 N LEU A 131 20.683 -6.866 7.291 1.00 12.76 N ATOM 642 CA LEU A 131 19.237 -6.901 7.045 1.00 13.82 C ATOM 643 C LEU A 131 18.515 -7.749 8.092 1.00 16.09 C ATOM 644 O LEU A 131 17.416 -7.402 8.532 1.00 13.77 O ATOM 645 CB LEU A 131 18.936 -7.406 5.627 1.00 13.43 C ATOM 646 CG LEU A 131 19.465 -6.559 4.474 1.00 11.42 C ATOM 647 CD1 LEU A 131 19.114 -7.182 3.110 1.00 14.41 C ATOM 648 CD2 LEU A 131 18.871 -5.172 4.561 1.00 14.69 C ATOM 649 H LEU A 131 21.333 -7.186 6.545 1.00 0.00 H ATOM 650 N SER A 132 19.126 -8.853 8.517 1.00 14.03 N ATOM 651 CA SER A 132 18.485 -9.684 9.529 1.00 20.51 C ATOM 652 C SER A 132 18.326 -8.920 10.850 1.00 19.95 C ATOM 653 O SER A 132 17.340 -9.103 11.575 1.00 19.88 O ATOM 654 CB SER A 132 19.228 -11.015 9.725 1.00 18.95 C ATOM 655 OG SER A 132 20.353 -10.894 10.581 1.00 19.50 O ATOM 656 HG SER A 132 20.992 -10.244 10.195 1.00 0.00 H ATOM 657 H SER A 132 20.053 -9.121 8.130 1.00 0.00 H ATOM 658 N ILE A 133 19.288 -8.049 11.137 1.00 18.78 N ATOM 659 CA ILE A 133 19.278 -7.204 12.337 1.00 21.24 C ATOM 660 C ILE A 133 18.190 -6.126 12.245 1.00 20.98 C ATOM 661 O ILE A 133 17.678 -5.642 13.267 1.00 18.96 O ATOM 662 CB ILE A 133 20.680 -6.549 12.530 1.00 24.72 C ATOM 663 CG1 ILE A 133 21.706 -7.600 12.971 1.00 28.75 C ATOM 664 CG2 ILE A 133 20.655 -5.407 13.525 1.00 30.96 C ATOM 665 CD1 ILE A 133 23.146 -7.109 12.890 1.00 29.56 C ATOM 666 H ILE A 133 20.088 -7.962 10.478 1.00 0.00 H ATOM 667 N CYS A 134 17.831 -5.762 11.017 1.00 16.02 N ATOM 668 CA CYS A 134 16.837 -4.707 10.782 1.00 14.76 C ATOM 669 C CYS A 134 15.384 -5.146 10.908 1.00 14.47 C ATOM 670 O CYS A 134 14.483 -4.321 10.766 1.00 19.44 O ATOM 671 CB CYS A 134 17.023 -4.098 9.391 1.00 15.78 C ATOM 672 SG CYS A 134 18.574 -3.229 9.153 1.00 21.46 S ATOM 673 H CYS A 134 18.266 -6.238 10.201 1.00 0.00 H ATOM 674 N VAL A 135 15.140 -6.428 11.157 1.00 17.61 N ATOM 675 CA VAL A 135 13.773 -6.945 11.090 1.00 19.41 C ATOM 676 C VAL A 135 12.760 -6.340 12.105 1.00 32.42 C ATOM 677 O VAL A 135 11.645 -5.940 11.725 1.00 34.95 O ATOM 678 CB VAL A 135 13.771 -8.494 11.092 1.00 23.72 C ATOM 679 CG1 VAL A 135 12.418 -9.032 11.500 1.00 26.27 C ATOM 680 CG2 VAL A 135 14.142 -9.004 9.703 1.00 20.72 C ATOM 681 H VAL A 135 15.924 -7.067 11.401 1.00 0.00 H ATOM 682 N HIS A 136 13.149 -6.270 13.374 1.00 26.81 N ATOM 683 CA HIS A 136 12.314 -5.664 14.431 1.00 18.54 C ATOM 684 C HIS A 136 10.864 -6.172 14.565 1.00 23.17 C ATOM 685 O HIS A 136 9.907 -5.386 14.500 1.00 21.18 O ATOM 686 CB HIS A 136 12.343 -4.133 14.332 1.00 22.61 C ATOM 687 CG HIS A 136 13.717 -3.551 14.484 1.00 26.18 C ATOM 688 ND1 HIS A 136 14.427 -3.614 15.663 1.00 30.05 N ATOM 689 CD2 HIS A 136 14.511 -2.897 13.602 1.00 19.07 C ATOM 690 CE1 HIS A 136 15.599 -3.026 15.502 1.00 31.31 C ATOM 691 NE2 HIS A 136 15.674 -2.582 14.260 1.00 20.50 N ATOM 692 H HIS A 136 14.079 -6.657 13.633 1.00 0.00 H ATOM 693 N ASP A 137 10.715 -7.475 14.786 1.00 20.80 N ATOM 694 CA ASP A 137 9.399 -8.094 14.944 1.00 22.65 C ATOM 695 C ASP A 137 8.560 -7.533 16.103 1.00 21.78 C ATOM 696 O ASP A 137 7.336 -7.630 16.085 1.00 21.44 O ATOM 697 CB ASP A 137 9.532 -9.613 15.088 1.00 26.46 C ATOM 698 CG ASP A 137 9.785 -10.315 13.762 1.00 31.81 C ATOM 699 OD1 ASP A 137 9.396 -9.773 12.704 1.00 31.26 O ATOM 700 OD2 ASP A 137 10.361 -11.424 13.786 1.00 36.38 O ATOM 701 H ASP A 137 11.563 -8.074 14.849 1.00 0.00 H ATOM 702 N LYS A 138 9.207 -6.935 17.101 1.00 18.92 N ATOM 703 CA LYS A 138 8.476 -6.416 18.258 1.00 20.64 C ATOM 704 C LYS A 138 7.871 -5.018 18.086 1.00 23.53 C ATOM 705 O LYS A 138 7.141 -4.547 18.969 1.00 24.50 O ATOM 706 CB LYS A 138 9.348 -6.471 19.515 1.00 27.67 C ATOM 707 CG LYS A 138 9.758 -7.882 19.905 1.00 37.11 C ATOM 708 CD LYS A 138 10.597 -7.881 21.170 1.00 40.72 C ATOM 709 CE LYS A 138 11.354 -9.192 21.314 1.00 49.50 C ATOM 710 NZ LYS A 138 12.092 -9.266 22.604 1.00 54.04 N ATOM 711 HZ1 LYS A 138 12.777 -8.485 22.655 1.00 0.00 H ATOM 712 HZ2 LYS A 138 11.418 -9.189 23.392 1.00 0.00 H ATOM 713 HZ3 LYS A 138 12.594 -10.175 22.663 1.00 0.00 H ATOM 714 H LYS A 138 10.241 -6.836 17.058 1.00 0.00 H ATOM 715 N ASP A 139 8.157 -4.357 16.965 1.00 20.60 N ATOM 716 CA ASP A 139 7.549 -3.054 16.683 1.00 22.78 C ATOM 717 C ASP A 139 6.028 -3.087 16.834 1.00 24.23 C ATOM 718 O ASP A 139 5.379 -4.073 16.477 1.00 23.52 O ATOM 719 CB ASP A 139 7.894 -2.584 15.271 1.00 23.30 C ATOM 720 CG ASP A 139 9.295 -2.019 15.165 1.00 18.42 C ATOM 721 OD1 ASP A 139 9.981 -1.865 16.204 1.00 20.46 O ATOM 722 OD2 ASP A 139 9.714 -1.722 14.025 1.00 21.63 O ATOM 723 H ASP A 139 8.821 -4.772 16.281 1.00 0.00 H ATOM 724 N ASN A 140 5.463 -2.013 17.379 1.00 20.94 N ATOM 725 CA ASN A 140 4.008 -1.907 17.513 1.00 26.31 C ATOM 726 C ASN A 140 3.575 -0.453 17.664 1.00 22.96 C ATOM 727 O ASN A 140 4.377 0.388 18.053 1.00 25.16 O ATOM 728 CB ASN A 140 3.495 -2.744 18.693 1.00 29.13 C ATOM 729 CG ASN A 140 4.071 -2.298 20.024 1.00 36.26 C ATOM 730 OD1 ASN A 140 3.689 -1.261 20.565 1.00 40.46 O ATOM 731 ND2 ASN A 140 4.994 -3.086 20.564 1.00 41.98 N ATOM 732 HD22 ASN A 140 5.288 -3.954 20.073 1.00 0.00 H ATOM 733 HD21 ASN A 140 5.422 -2.835 21.478 1.00 0.00 H ATOM 734 H ASN A 140 6.065 -1.235 17.716 1.00 0.00 H ATOM 735 N VAL A 141 2.315 -0.163 17.349 1.00 27.39 N ATOM 736 CA VAL A 141 1.793 1.200 17.444 1.00 28.89 C ATOM 737 C VAL A 141 1.777 1.726 18.879 1.00 21.47 C ATOM 738 O VAL A 141 2.032 2.906 19.107 1.00 17.44 O ATOM 739 CB VAL A 141 0.362 1.320 16.869 1.00 33.32 C ATOM 740 CG1 VAL A 141 -0.014 2.780 16.704 1.00 32.29 C ATOM 741 CG2 VAL A 141 0.262 0.638 15.537 1.00 40.60 C ATOM 742 H VAL A 141 1.685 -0.925 17.027 1.00 0.00 H ATOM 743 N GLU A 142 1.478 0.852 19.839 1.00 20.44 N ATOM 744 CA GLU A 142 1.298 1.273 21.231 1.00 19.70 C ATOM 745 C GLU A 142 2.502 2.007 21.822 1.00 20.62 C ATOM 746 O GLU A 142 2.336 3.045 22.469 1.00 19.51 O ATOM 747 CB GLU A 142 0.918 0.086 22.126 1.00 21.70 C ATOM 748 CG GLU A 142 -0.537 -0.344 22.024 1.00 29.02 C ATOM 749 CD GLU A 142 -0.796 -1.283 20.859 1.00 37.94 C ATOM 750 OE1 GLU A 142 0.129 -1.483 20.036 1.00 34.96 O ATOM 751 OE2 GLU A 142 -1.921 -1.835 20.773 1.00 38.22 O ATOM 752 H GLU A 142 1.370 -0.153 19.595 1.00 0.00 H ATOM 753 N GLU A 143 3.700 1.463 21.616 1.00 20.21 N ATOM 754 CA GLU A 143 4.916 2.090 22.143 1.00 24.70 C ATOM 755 C GLU A 143 5.153 3.473 21.530 1.00 18.84 C ATOM 756 O GLU A 143 5.643 4.382 22.204 1.00 20.04 O ATOM 757 CB GLU A 143 6.137 1.194 21.921 1.00 26.69 C ATOM 758 CG GLU A 143 6.397 0.869 20.457 1.00 29.80 C ATOM 759 CD GLU A 143 7.538 -0.111 20.258 1.00 42.24 C ATOM 760 OE1 GLU A 143 8.060 -0.646 21.267 1.00 42.19 O ATOM 761 OE2 GLU A 143 7.907 -0.343 19.082 1.00 40.62 O ATOM 762 H GLU A 143 3.774 0.579 21.073 1.00 0.00 H ATOM 763 N LEU A 144 4.802 3.632 20.257 1.00 16.40 N ATOM 764 CA LEU A 144 4.930 4.933 19.587 1.00 15.20 C ATOM 765 C LEU A 144 3.961 5.973 20.136 1.00 14.96 C ATOM 766 O LEU A 144 4.347 7.116 20.396 1.00 16.96 O ATOM 767 CB LEU A 144 4.727 4.785 18.081 1.00 15.09 C ATOM 768 CG LEU A 144 5.603 3.744 17.371 1.00 19.20 C ATOM 769 CD1 LEU A 144 5.304 3.743 15.885 1.00 23.33 C ATOM 770 CD2 LEU A 144 7.083 3.990 17.600 1.00 26.61 C ATOM 771 H LEU A 144 4.430 2.819 19.726 1.00 0.00 H ATOM 772 N ILE A 145 2.701 5.581 20.299 1.00 18.62 N ATOM 773 CA ILE A 145 1.695 6.466 20.869 1.00 20.85 C ATOM 774 C ILE A 145 2.095 6.893 22.281 1.00 15.40 C ATOM 775 O ILE A 145 1.945 8.059 22.653 1.00 16.55 O ATOM 776 CB ILE A 145 0.315 5.775 20.923 1.00 18.70 C ATOM 777 CG1 ILE A 145 -0.164 5.419 19.511 1.00 19.70 C ATOM 778 CG2 ILE A 145 -0.711 6.652 21.633 1.00 25.01 C ATOM 779 CD1 ILE A 145 -1.445 4.560 19.512 1.00 23.09 C ATOM 780 H ILE A 145 2.427 4.619 20.013 1.00 0.00 H ATOM 781 N LYS A 146 2.612 5.949 23.064 1.00 15.32 N ATOM 782 CA LYS A 146 2.996 6.240 24.442 1.00 17.79 C ATOM 783 C LYS A 146 4.177 7.198 24.510 1.00 18.67 C ATOM 784 O LYS A 146 4.251 8.035 25.415 1.00 17.87 O ATOM 785 CB LYS A 146 3.263 4.945 25.228 1.00 22.50 C ATOM 786 CG LYS A 146 1.973 4.226 25.629 1.00 29.65 C ATOM 787 CD LYS A 146 2.226 2.809 26.157 1.00 30.50 C ATOM 788 CE LYS A 146 0.901 2.115 26.471 1.00 30.92 C ATOM 789 NZ LYS A 146 1.057 0.641 26.590 1.00 34.03 N ATOM 790 HZ1 LYS A 146 1.420 0.258 25.693 1.00 0.00 H ATOM 791 HZ2 LYS A 146 1.726 0.425 27.356 1.00 0.00 H ATOM 792 HZ3 LYS A 146 0.134 0.212 26.803 1.00 0.00 H ATOM 793 H LYS A 146 2.745 4.988 22.688 1.00 0.00 H ATOM 794 N MET A 147 5.083 7.097 23.539 1.00 18.25 N ATOM 795 CA MET A 147 6.197 8.034 23.440 1.00 18.06 C ATOM 796 C MET A 147 5.671 9.455 23.204 1.00 18.36 C ATOM 797 O MET A 147 6.125 10.406 23.847 1.00 19.22 O ATOM 798 CB MET A 147 7.163 7.605 22.324 1.00 15.06 C ATOM 799 CG MET A 147 8.421 8.457 22.188 1.00 17.86 C ATOM 800 SD MET A 147 8.164 9.965 21.238 1.00 20.20 S ATOM 801 CE MET A 147 7.668 9.278 19.661 1.00 20.43 C ATOM 802 H MET A 147 4.995 6.335 22.837 1.00 0.00 H ATOM 803 N PHE A 148 4.730 9.612 22.277 1.00 12.55 N ATOM 804 CA PHE A 148 4.155 10.946 22.032 1.00 14.63 C ATOM 805 C PHE A 148 3.267 11.413 23.183 1.00 16.51 C ATOM 806 O PHE A 148 3.257 12.597 23.521 1.00 15.53 O ATOM 807 CB PHE A 148 3.366 10.985 20.722 1.00 12.00 C ATOM 808 CG PHE A 148 4.230 11.132 19.492 1.00 15.04 C ATOM 809 CD1 PHE A 148 5.026 12.256 19.309 1.00 17.79 C ATOM 810 CD2 PHE A 148 4.229 10.155 18.511 1.00 19.27 C ATOM 811 CE1 PHE A 148 5.810 12.392 18.176 1.00 19.04 C ATOM 812 CE2 PHE A 148 5.011 10.284 17.381 1.00 16.88 C ATOM 813 CZ PHE A 148 5.803 11.406 17.212 1.00 17.52 C ATOM 814 H PHE A 148 4.401 8.794 21.726 1.00 0.00 H ATOM 815 N ALA A 149 2.526 10.488 23.790 1.00 16.17 N ATOM 816 CA ALA A 149 1.624 10.848 24.884 1.00 18.66 C ATOM 817 C ALA A 149 2.395 11.463 26.052 1.00 20.31 C ATOM 818 O ALA A 149 1.832 12.203 26.858 1.00 18.44 O ATOM 819 CB ALA A 149 0.813 9.638 25.355 1.00 16.13 C ATOM 820 H ALA A 149 2.589 9.497 23.482 1.00 0.00 H ATOM 821 N HIS A 150 3.685 11.147 26.142 1.00 17.38 N ATOM 822 CA HIS A 150 4.549 11.749 27.145 1.00 21.85 C ATOM 823 C HIS A 150 4.502 13.277 27.066 1.00 22.44 C ATOM 824 O HIS A 150 4.584 13.959 28.083 1.00 22.31 O ATOM 825 CB HIS A 150 5.991 11.282 26.955 1.00 20.75 C ATOM 826 CG HIS A 150 6.958 11.932 27.897 1.00 24.29 C ATOM 827 ND1 HIS A 150 7.132 11.505 29.195 1.00 23.54 N ATOM 828 CD2 HIS A 150 7.784 12.990 27.731 1.00 22.10 C ATOM 829 CE1 HIS A 150 8.032 12.270 29.789 1.00 28.83 C ATOM 830 NE2 HIS A 150 8.446 13.177 28.922 1.00 23.08 N ATOM 831 H HIS A 150 4.085 10.453 25.479 1.00 0.00 H ATOM 832 N PHE A 151 4.362 13.803 25.854 1.00 16.09 N ATOM 833 CA PHE A 151 4.367 15.246 25.640 1.00 21.07 C ATOM 834 C PHE A 151 2.973 15.858 25.669 1.00 22.58 C ATOM 835 O PHE A 151 2.822 17.075 25.527 1.00 30.99 O ATOM 836 CB PHE A 151 5.058 15.561 24.306 1.00 22.96 C ATOM 837 CG PHE A 151 6.478 15.076 24.244 1.00 23.28 C ATOM 838 CD1 PHE A 151 7.509 15.847 24.761 1.00 24.35 C ATOM 839 CD2 PHE A 151 6.781 13.844 23.696 1.00 19.98 C ATOM 840 CE1 PHE A 151 8.816 15.402 24.713 1.00 22.52 C ATOM 841 CE2 PHE A 151 8.082 13.399 23.658 1.00 18.89 C ATOM 842 CZ PHE A 151 9.095 14.172 24.158 1.00 21.01 C ATOM 843 H PHE A 151 4.246 13.170 25.037 1.00 0.00 H ATOM 844 N ASP A 152 1.956 15.017 25.835 1.00 27.85 N ATOM 845 CA ASP A 152 0.570 15.470 25.786 1.00 27.61 C ATOM 846 C ASP A 152 0.020 15.669 27.202 1.00 30.70 C ATOM 847 O ASP A 152 -0.801 14.886 27.695 1.00 32.27 O ATOM 848 CB ASP A 152 -0.277 14.473 24.995 1.00 26.29 C ATOM 849 CG ASP A 152 -1.727 14.886 24.885 1.00 29.95 C ATOM 850 OD1 ASP A 152 -2.047 16.070 25.125 1.00 24.98 O ATOM 851 OD2 ASP A 152 -2.555 14.015 24.551 1.00 28.20 O ATOM 852 H ASP A 152 2.154 14.010 26.004 1.00 0.00 H ATOM 853 N ASN A 153 0.480 16.733 27.845 1.00 36.37 N ATOM 854 CA ASN A 153 0.133 17.004 29.236 1.00 46.21 C ATOM 855 C ASN A 153 -1.338 17.295 29.511 1.00 47.19 C ATOM 856 O ASN A 153 -1.887 16.831 30.513 1.00 47.90 O ATOM 857 CB ASN A 153 0.998 18.136 29.774 1.00 50.54 C ATOM 858 CG ASN A 153 2.318 17.647 30.311 1.00 53.53 C ATOM 859 OD1 ASN A 153 2.835 16.601 29.897 1.00 51.29 O ATOM 860 ND2 ASN A 153 2.870 18.395 31.254 1.00 54.52 N ATOM 861 HD22 ASN A 153 2.398 19.266 31.570 1.00 0.00 H ATOM 862 HD21 ASN A 153 3.776 18.111 31.679 1.00 0.00 H ATOM 863 H ASN A 153 1.107 17.394 27.343 1.00 0.00 H ATOM 864 N ASN A 154 -1.978 18.065 28.638 1.00 45.02 N ATOM 865 CA ASN A 154 -3.392 18.373 28.829 1.00 46.77 C ATOM 866 C ASN A 154 -4.282 17.201 28.421 1.00 38.88 C ATOM 867 O ASN A 154 -5.509 17.305 28.473 1.00 42.37 O ATOM 868 CB ASN A 154 -3.784 19.630 28.049 1.00 52.28 C ATOM 869 H ASN A 154 -1.470 18.450 27.816 1.00 0.00 H ATOM 870 N CYS A 155 -3.650 16.101 28.002 1.00 33.17 N ATOM 871 CA CYS A 155 -4.349 14.871 27.627 1.00 32.93 C ATOM 872 C CYS A 155 -5.405 15.105 26.557 1.00 33.49 C ATOM 873 O CYS A 155 -6.524 14.608 26.658 1.00 37.89 O ATOM 874 CB CYS A 155 -4.988 14.215 28.852 1.00 44.18 C ATOM 875 SG CYS A 155 -3.803 13.475 29.988 1.00 67.70 S ATOM 876 H CYS A 155 -2.612 16.120 27.939 1.00 0.00 H ATOM 877 N THR A 156 -5.037 15.855 25.526 1.00 26.14 N ATOM 878 CA THR A 156 -5.974 16.212 24.476 1.00 29.62 C ATOM 879 C THR A 156 -6.013 15.170 23.368 1.00 28.28 C ATOM 880 O THR A 156 -6.998 15.087 22.636 1.00 28.28 O ATOM 881 CB THR A 156 -5.613 17.570 23.849 1.00 23.18 C ATOM 882 OG1 THR A 156 -4.294 17.499 23.294 1.00 20.45 O ATOM 883 CG2 THR A 156 -5.667 18.675 24.900 1.00 29.62 C ATOM 884 HG1 THR A 156 -4.060 18.372 22.890 1.00 0.00 H ATOM 885 H THR A 156 -4.056 16.195 25.469 1.00 0.00 H ATOM 886 N GLY A 157 -4.937 14.398 23.231 1.00 29.90 N ATOM 887 CA GLY A 157 -4.806 13.464 22.124 1.00 30.16 C ATOM 888 C GLY A 157 -4.190 14.132 20.907 1.00 28.94 C ATOM 889 O GLY A 157 -3.981 13.504 19.865 1.00 21.16 O ATOM 890 H GLY A 157 -4.172 14.464 23.932 1.00 0.00 H ATOM 891 N TYR A 158 -3.882 15.417 21.042 1.00 16.56 N ATOM 892 CA TYR A 158 -3.289 16.172 19.950 1.00 17.93 C ATOM 893 C TYR A 158 -1.924 16.730 20.315 1.00 22.74 C ATOM 894 O TYR A 158 -1.662 17.039 21.480 1.00 20.71 O ATOM 895 CB TYR A 158 -4.196 17.350 19.580 1.00 20.08 C ATOM 896 CG TYR A 158 -5.511 16.948 18.969 1.00 21.26 C ATOM 897 CD1 TYR A 158 -5.586 16.585 17.633 1.00 21.94 C ATOM 898 CD2 TYR A 158 -6.678 16.953 19.720 1.00 27.45 C ATOM 899 CE1 TYR A 158 -6.783 16.219 17.058 1.00 29.07 C ATOM 900 CE2 TYR A 158 -7.886 16.590 19.152 1.00 29.83 C ATOM 901 CZ TYR A 158 -7.927 16.224 17.820 1.00 32.49 C ATOM 902 OH TYR A 158 -9.115 15.862 17.237 1.00 37.77 O ATOM 903 HH TYR A 158 -8.959 15.633 16.287 1.00 0.00 H ATOM 904 H TYR A 158 -4.069 15.893 21.948 1.00 0.00 H ATOM 905 N LEU A 159 -1.070 16.868 19.302 1.00 20.16 N ATOM 906 CA LEU A 159 0.138 17.690 19.391 1.00 20.88 C ATOM 907 C LEU A 159 0.205 18.538 18.121 1.00 23.80 C ATOM 908 O LEU A 159 -0.168 18.074 17.041 1.00 21.35 O ATOM 909 CB LEU A 159 1.400 16.820 19.514 1.00 15.79 C ATOM 910 CG LEU A 159 1.545 15.983 20.790 1.00 16.62 C ATOM 911 CD1 LEU A 159 2.599 14.903 20.612 1.00 15.01 C ATOM 912 CD2 LEU A 159 1.918 16.897 21.943 1.00 24.96 C ATOM 913 H LEU A 159 -1.270 16.371 18.411 1.00 0.00 H ATOM 914 N THR A 160 0.671 19.778 18.235 1.00 21.36 N ATOM 915 CA THR A 160 0.822 20.611 17.050 1.00 23.27 C ATOM 916 C THR A 160 1.998 20.137 16.210 1.00 21.73 C ATOM 917 O THR A 160 2.862 19.399 16.689 1.00 20.70 O ATOM 918 CB THR A 160 1.068 22.077 17.409 1.00 23.32 C ATOM 919 OG1 THR A 160 2.312 22.181 18.114 1.00 21.03 O ATOM 920 CG2 THR A 160 -0.081 22.618 18.268 1.00 24.11 C ATOM 921 HG1 THR A 160 2.478 23.128 18.350 1.00 0.00 H ATOM 922 H THR A 160 0.928 20.153 19.170 1.00 0.00 H ATOM 923 N LYS A 161 2.030 20.565 14.955 1.00 21.58 N ATOM 924 CA LYS A 161 3.140 20.228 14.075 1.00 22.10 C ATOM 925 C LYS A 161 4.455 20.747 14.618 1.00 25.19 C ATOM 926 O LYS A 161 5.486 20.085 14.492 1.00 21.17 O ATOM 927 CB LYS A 161 2.912 20.807 12.687 1.00 29.58 C ATOM 928 CG LYS A 161 2.160 19.892 11.756 1.00 33.62 C ATOM 929 CD LYS A 161 1.901 20.624 10.462 1.00 41.58 C ATOM 930 CE LYS A 161 1.100 19.790 9.495 1.00 41.67 C ATOM 931 NZ LYS A 161 0.605 20.673 8.392 1.00 45.62 N ATOM 932 HZ1 LYS A 161 0.006 21.423 8.792 1.00 0.00 H ATOM 933 HZ2 LYS A 161 1.416 21.101 7.902 1.00 0.00 H ATOM 934 HZ3 LYS A 161 0.051 20.107 7.719 1.00 0.00 H ATOM 935 H LYS A 161 1.250 21.150 14.594 1.00 0.00 H ATOM 936 N SER A 162 4.419 21.942 15.203 1.00 25.62 N ATOM 937 CA SER A 162 5.609 22.528 15.803 1.00 28.64 C ATOM 938 C SER A 162 6.113 21.655 16.959 1.00 24.36 C ATOM 939 O SER A 162 7.311 21.389 17.071 1.00 25.10 O ATOM 940 CB SER A 162 5.312 23.958 16.272 1.00 35.43 C ATOM 941 OG SER A 162 6.500 24.721 16.365 1.00 42.11 O ATOM 942 HG SER A 162 6.280 25.637 16.669 1.00 0.00 H ATOM 943 H SER A 162 3.522 22.468 15.232 1.00 0.00 H ATOM 944 N GLN A 163 5.196 21.190 17.802 1.00 18.72 N ATOM 945 CA GLN A 163 5.562 20.316 18.918 1.00 17.95 C ATOM 946 C GLN A 163 6.160 19.006 18.426 1.00 16.31 C ATOM 947 O GLN A 163 7.200 18.556 18.919 1.00 17.63 O ATOM 948 CB GLN A 163 4.350 20.046 19.818 1.00 19.49 C ATOM 949 CG GLN A 163 3.926 21.263 20.628 1.00 21.67 C ATOM 950 CD GLN A 163 2.603 21.083 21.337 1.00 23.56 C ATOM 951 OE1 GLN A 163 1.703 20.394 20.845 1.00 21.62 O ATOM 952 NE2 GLN A 163 2.469 21.717 22.496 1.00 21.61 N ATOM 953 HE22 GLN A 163 3.254 22.286 22.871 1.00 0.00 H ATOM 954 HE21 GLN A 163 1.579 21.645 23.028 1.00 0.00 H ATOM 955 H GLN A 163 4.199 21.452 17.666 1.00 0.00 H ATOM 956 N MET A 164 5.511 18.375 17.456 1.00 16.54 N ATOM 957 CA MET A 164 6.028 17.119 16.921 1.00 20.29 C ATOM 958 C MET A 164 7.363 17.308 16.203 1.00 21.60 C ATOM 959 O MET A 164 8.252 16.458 16.295 1.00 20.26 O ATOM 960 CB MET A 164 4.998 16.443 16.017 1.00 20.62 C ATOM 961 CG MET A 164 3.737 16.048 16.766 1.00 25.32 C ATOM 962 SD MET A 164 2.555 15.141 15.763 1.00 30.06 S ATOM 963 CE MET A 164 3.360 13.546 15.610 1.00 19.43 C ATOM 964 H MET A 164 4.631 18.777 17.075 1.00 0.00 H ATOM 965 N LYS A 165 7.507 18.430 15.500 1.00 17.83 N ATOM 966 CA LYS A 165 8.764 18.750 14.845 1.00 19.43 C ATOM 967 C LYS A 165 9.868 18.843 15.899 1.00 20.45 C ATOM 968 O LYS A 165 10.963 18.325 15.694 1.00 20.43 O ATOM 969 CB LYS A 165 8.667 20.069 14.065 1.00 21.08 C ATOM 970 CG LYS A 165 9.946 20.437 13.307 1.00 27.33 C ATOM 971 CD LYS A 165 9.829 21.783 12.592 1.00 33.43 C ATOM 972 H LYS A 165 6.706 19.088 15.418 1.00 0.00 H ATOM 973 N ASN A 166 9.581 19.499 17.023 1.00 18.69 N ATOM 974 CA ASN A 166 10.577 19.644 18.088 1.00 20.17 C ATOM 975 C ASN A 166 11.059 18.300 18.632 1.00 19.19 C ATOM 976 O ASN A 166 12.256 18.076 18.795 1.00 26.70 O ATOM 977 CB ASN A 166 10.045 20.523 19.235 1.00 20.68 C ATOM 978 CG ASN A 166 10.275 22.004 18.992 1.00 30.42 C ATOM 979 OD1 ASN A 166 11.179 22.390 18.243 1.00 28.26 O ATOM 980 ND2 ASN A 166 9.465 22.844 19.635 1.00 36.76 N ATOM 981 HD22 ASN A 166 8.717 22.473 20.256 1.00 0.00 H ATOM 982 HD21 ASN A 166 9.580 23.871 19.516 1.00 0.00 H ATOM 983 H ASN A 166 8.636 19.914 17.146 1.00 0.00 H ATOM 984 N ILE A 167 10.107 17.416 18.912 1.00 19.60 N ATOM 985 CA ILE A 167 10.396 16.084 19.418 1.00 18.64 C ATOM 986 C ILE A 167 11.267 15.340 18.405 1.00 23.78 C ATOM 987 O ILE A 167 12.333 14.814 18.744 1.00 28.83 O ATOM 988 CB ILE A 167 9.088 15.313 19.668 1.00 18.33 C ATOM 989 CG1 ILE A 167 8.235 16.036 20.725 1.00 22.23 C ATOM 990 CG2 ILE A 167 9.373 13.857 20.067 1.00 21.13 C ATOM 991 CD1 ILE A 167 6.744 15.707 20.667 1.00 19.91 C ATOM 992 H ILE A 167 9.114 17.688 18.763 1.00 0.00 H ATOM 993 N LEU A 168 10.832 15.339 17.152 1.00 19.72 N ATOM 994 CA LEU A 168 11.508 14.560 16.111 1.00 20.10 C ATOM 995 C LEU A 168 12.920 15.054 15.762 1.00 21.24 C ATOM 996 O LEU A 168 13.754 14.278 15.285 1.00 20.22 O ATOM 997 CB LEU A 168 10.639 14.507 14.850 1.00 16.63 C ATOM 998 CG LEU A 168 9.313 13.766 15.012 1.00 20.92 C ATOM 999 CD1 LEU A 168 8.532 13.803 13.717 1.00 17.83 C ATOM 1000 CD2 LEU A 168 9.569 12.329 15.440 1.00 24.58 C ATOM 1001 H LEU A 168 9.994 15.903 16.903 1.00 0.00 H ATOM 1002 N THR A 169 13.190 16.335 16.003 1.00 15.88 N ATOM 1003 CA THR A 169 14.466 16.923 15.616 1.00 16.54 C ATOM 1004 C THR A 169 15.406 17.182 16.791 1.00 19.50 C ATOM 1005 O THR A 169 16.505 17.698 16.601 1.00 25.48 O ATOM 1006 CB THR A 169 14.284 18.244 14.815 1.00 21.06 C ATOM 1007 OG1 THR A 169 13.631 19.220 15.636 1.00 23.09 O ATOM 1008 CG2 THR A 169 13.462 18.004 13.555 1.00 25.94 C ATOM 1009 HG1 THR A 169 12.744 18.878 15.911 1.00 0.00 H ATOM 1010 H THR A 169 12.478 16.927 16.476 1.00 0.00 H ATOM 1011 N THR A 170 14.984 16.821 17.999 1.00 20.66 N ATOM 1012 CA THR A 170 15.799 17.087 19.184 1.00 20.29 C ATOM 1013 C THR A 170 16.546 15.871 19.745 1.00 24.36 C ATOM 1014 O THR A 170 17.770 15.900 19.892 1.00 33.50 O ATOM 1015 CB THR A 170 14.955 17.756 20.293 1.00 24.82 C ATOM 1016 OG1 THR A 170 14.443 19.000 19.797 1.00 24.25 O ATOM 1017 CG2 THR A 170 15.795 18.022 21.531 1.00 24.89 C ATOM 1018 HG1 THR A 170 13.878 18.830 19.002 1.00 0.00 H ATOM 1019 H THR A 170 14.065 16.345 18.102 1.00 0.00 H ATOM 1020 N TRP A 171 15.815 14.806 20.063 1.00 17.49 N ATOM 1021 CA TRP A 171 16.414 13.652 20.713 1.00 18.53 C ATOM 1022 C TRP A 171 16.517 12.472 19.755 1.00 21.32 C ATOM 1023 O TRP A 171 15.939 12.501 18.661 1.00 15.53 O ATOM 1024 CB TRP A 171 15.597 13.258 21.943 1.00 20.65 C ATOM 1025 CG TRP A 171 15.582 14.309 23.039 1.00 22.11 C ATOM 1026 CD1 TRP A 171 16.602 14.605 23.913 1.00 19.47 C ATOM 1027 CD2 TRP A 171 14.495 15.180 23.382 1.00 23.23 C ATOM 1028 NE1 TRP A 171 16.205 15.604 24.774 1.00 18.92 N ATOM 1029 CE2 TRP A 171 14.924 15.974 24.470 1.00 23.63 C ATOM 1030 CE3 TRP A 171 13.205 15.364 22.879 1.00 23.37 C ATOM 1031 CZ2 TRP A 171 14.101 16.938 25.060 1.00 23.88 C ATOM 1032 CZ3 TRP A 171 12.386 16.321 23.470 1.00 28.35 C ATOM 1033 CH2 TRP A 171 12.841 17.097 24.546 1.00 28.08 C ATOM 1034 HE1 TRP A 171 16.786 16.012 25.534 1.00 0.00 H ATOM 1035 H TRP A 171 14.799 14.799 19.843 1.00 0.00 H ATOM 1036 N GLY A 172 17.266 11.446 20.170 1.00 19.75 N ATOM 1037 CA GLY A 172 17.379 10.214 19.399 1.00 23.82 C ATOM 1038 C GLY A 172 18.048 10.422 18.055 1.00 16.59 C ATOM 1039 O GLY A 172 18.967 11.245 17.933 1.00 19.16 O ATOM 1040 H GLY A 172 17.783 11.529 21.069 1.00 0.00 H ATOM 1041 N ASP A 173 17.587 9.683 17.044 1.00 16.78 N ATOM 1042 CA ASP A 173 18.181 9.730 15.711 1.00 15.91 C ATOM 1043 C ASP A 173 17.514 10.873 14.983 1.00 17.27 C ATOM 1044 O ASP A 173 16.705 10.655 14.077 1.00 18.07 O ATOM 1045 CB ASP A 173 17.925 8.423 14.953 1.00 15.84 C ATOM 1046 CG ASP A 173 18.755 7.265 15.473 1.00 17.54 C ATOM 1047 OD1 ASP A 173 19.781 7.513 16.144 1.00 20.88 O ATOM 1048 OD2 ASP A 173 18.386 6.091 15.209 1.00 18.89 O ATOM 1049 H ASP A 173 16.777 9.052 17.211 1.00 0.00 H ATOM 1050 N ALA A 174 17.832 12.089 15.419 1.00 16.57 N ATOM 1051 CA ALA A 174 17.107 13.295 15.024 1.00 16.05 C ATOM 1052 C ALA A 174 16.932 13.465 13.516 1.00 19.06 C ATOM 1053 O ALA A 174 17.888 13.332 12.743 1.00 19.23 O ATOM 1054 CB ALA A 174 17.795 14.514 15.598 1.00 19.20 C ATOM 1055 H ALA A 174 18.635 12.186 16.072 1.00 0.00 H ATOM 1056 N LEU A 175 15.709 13.771 13.098 1.00 17.22 N ATOM 1057 CA LEU A 175 15.471 14.109 11.700 1.00 16.34 C ATOM 1058 C LEU A 175 15.915 15.554 11.494 1.00 20.00 C ATOM 1059 O LEU A 175 15.971 16.331 12.453 1.00 21.83 O ATOM 1060 CB LEU A 175 13.988 14.015 11.335 1.00 19.37 C ATOM 1061 CG LEU A 175 13.067 12.834 11.655 1.00 26.38 C ATOM 1062 CD1 LEU A 175 11.919 12.790 10.657 1.00 24.62 C ATOM 1063 CD2 LEU A 175 13.785 11.523 11.665 1.00 26.78 C ATOM 1064 H LEU A 175 14.917 13.769 13.772 1.00 0.00 H ATOM 1065 N THR A 176 16.226 15.916 10.253 1.00 20.54 N ATOM 1066 CA THR A 176 16.472 17.318 9.917 1.00 18.48 C ATOM 1067 C THR A 176 15.137 18.028 10.021 1.00 18.16 C ATOM 1068 O THR A 176 14.094 17.375 10.069 1.00 17.98 O ATOM 1069 CB THR A 176 17.043 17.483 8.489 1.00 22.14 C ATOM 1070 OG1 THR A 176 16.060 17.084 7.523 1.00 24.59 O ATOM 1071 CG2 THR A 176 18.291 16.635 8.307 1.00 26.50 C ATOM 1072 HG1 THR A 176 16.432 17.192 6.612 1.00 0.00 H ATOM 1073 H THR A 176 16.295 15.191 9.510 1.00 0.00 H ATOM 1074 N ASP A 177 15.141 19.357 10.069 1.00 22.87 N ATOM 1075 CA ASP A 177 13.872 20.068 10.148 1.00 24.49 C ATOM 1076 C ASP A 177 13.001 19.774 8.926 1.00 23.73 C ATOM 1077 O ASP A 177 11.791 19.581 9.059 1.00 25.90 O ATOM 1078 CB ASP A 177 14.072 21.578 10.310 1.00 34.83 C ATOM 1079 CG ASP A 177 14.454 21.966 11.727 1.00 42.34 C ATOM 1080 H ASP A 177 16.039 19.882 10.050 1.00 0.00 H ATOM 1081 N GLN A 178 13.613 19.712 7.746 1.00 23.20 N ATOM 1082 CA GLN A 178 12.850 19.460 6.522 1.00 26.75 C ATOM 1083 C GLN A 178 12.249 18.054 6.481 1.00 30.11 C ATOM 1084 O GLN A 178 11.091 17.886 6.091 1.00 28.17 O ATOM 1085 CB GLN A 178 13.699 19.711 5.274 1.00 32.82 C ATOM 1086 CG GLN A 178 12.896 19.699 3.976 1.00 38.39 C ATOM 1087 CD GLN A 178 11.824 20.778 3.946 1.00 46.59 C ATOM 1088 OE1 GLN A 178 10.632 20.485 3.808 1.00 51.73 O ATOM 1089 NE2 GLN A 178 12.243 22.034 4.078 1.00 43.36 N ATOM 1090 HE22 GLN A 178 13.257 22.235 4.192 1.00 0.00 H ATOM 1091 HE21 GLN A 178 11.556 22.815 4.067 1.00 0.00 H ATOM 1092 H GLN A 178 14.643 19.844 7.693 1.00 0.00 H ATOM 1093 N GLU A 179 13.032 17.046 6.871 1.00 25.78 N ATOM 1094 CA GLU A 179 12.505 15.690 7.008 1.00 26.41 C ATOM 1095 C GLU A 179 11.293 15.640 7.939 1.00 26.35 C ATOM 1096 O GLU A 179 10.285 14.993 7.621 1.00 20.47 O ATOM 1097 CB GLU A 179 13.601 14.738 7.500 1.00 23.93 C ATOM 1098 CG GLU A 179 14.611 14.371 6.410 1.00 27.95 C ATOM 1099 CD GLU A 179 15.864 13.719 6.960 1.00 29.09 C ATOM 1100 OE1 GLU A 179 16.042 13.712 8.194 1.00 24.52 O ATOM 1101 OE2 GLU A 179 16.678 13.219 6.157 1.00 33.08 O ATOM 1102 H GLU A 179 14.034 17.229 7.081 1.00 0.00 H ATOM 1103 N ALA A 180 11.385 16.324 9.081 1.00 20.23 N ATOM 1104 CA ALA A 180 10.293 16.318 10.058 1.00 20.82 C ATOM 1105 C ALA A 180 9.062 17.020 9.501 1.00 23.44 C ATOM 1106 O ALA A 180 7.944 16.532 9.643 1.00 19.47 O ATOM 1107 CB ALA A 180 10.722 16.967 11.371 1.00 16.90 C ATOM 1108 H ALA A 180 12.247 16.871 9.281 1.00 0.00 H ATOM 1109 N ILE A 181 9.273 18.185 8.896 1.00 26.78 N ATOM 1110 CA ILE A 181 8.188 18.924 8.270 1.00 33.38 C ATOM 1111 C ILE A 181 7.519 18.086 7.178 1.00 27.93 C ATOM 1112 O ILE A 181 6.295 18.017 7.094 1.00 26.43 O ATOM 1113 CB ILE A 181 8.690 20.262 7.682 1.00 33.74 C ATOM 1114 CG1 ILE A 181 8.937 21.272 8.809 1.00 36.07 C ATOM 1115 CG2 ILE A 181 7.695 20.810 6.671 1.00 34.91 C ATOM 1116 CD1 ILE A 181 9.968 22.354 8.466 1.00 37.77 C ATOM 1117 H ILE A 181 10.236 18.577 8.870 1.00 0.00 H ATOM 1118 N ASP A 182 8.327 17.433 6.354 1.00 26.71 N ATOM 1119 CA ASP A 182 7.791 16.620 5.270 1.00 32.19 C ATOM 1120 C ASP A 182 7.034 15.378 5.751 1.00 32.65 C ATOM 1121 O ASP A 182 6.032 14.987 5.153 1.00 39.36 O ATOM 1122 CB ASP A 182 8.903 16.237 4.298 1.00 33.23 C ATOM 1123 CG ASP A 182 9.328 17.396 3.428 1.00 37.01 C ATOM 1124 OD1 ASP A 182 8.578 18.394 3.355 1.00 45.35 O ATOM 1125 OD2 ASP A 182 10.407 17.311 2.808 1.00 42.15 O ATOM 1126 H ASP A 182 9.357 17.502 6.483 1.00 0.00 H ATOM 1127 N ALA A 183 7.508 14.764 6.827 1.00 23.99 N ATOM 1128 CA ALA A 183 6.826 13.607 7.388 1.00 29.17 C ATOM 1129 C ALA A 183 5.474 14.013 7.975 1.00 34.12 C ATOM 1130 O ALA A 183 4.479 13.303 7.819 1.00 32.74 O ATOM 1131 CB ALA A 183 7.684 12.948 8.437 1.00 29.74 C ATOM 1132 H ALA A 183 8.378 15.114 7.276 1.00 0.00 H ATOM 1133 N LEU A 184 5.441 15.167 8.638 1.00 28.62 N ATOM 1134 CA LEU A 184 4.206 15.673 9.240 1.00 26.79 C ATOM 1135 C LEU A 184 3.205 16.210 8.209 1.00 37.09 C ATOM 1136 O LEU A 184 2.018 15.880 8.265 1.00 37.31 O ATOM 1137 CB LEU A 184 4.523 16.755 10.273 1.00 25.47 C ATOM 1138 CG LEU A 184 5.250 16.280 11.530 1.00 26.44 C ATOM 1139 CD1 LEU A 184 5.872 17.474 12.251 1.00 25.56 C ATOM 1140 CD2 LEU A 184 4.290 15.528 12.456 1.00 29.48 C ATOM 1141 H LEU A 184 6.315 15.723 8.731 1.00 0.00 H ATOM 1142 N ASN A 185 3.675 17.041 7.278 1.00 36.36 N ATOM 1143 CA ASN A 185 2.788 17.620 6.270 1.00 39.93 C ATOM 1144 C ASN A 185 2.168 16.548 5.368 1.00 42.99 C ATOM 1145 O ASN A 185 1.077 16.731 4.816 1.00 43.96 O ATOM 1146 CB ASN A 185 3.517 18.679 5.428 1.00 45.89 C ATOM 1147 CG ASN A 185 3.597 20.038 6.122 1.00 47.73 C ATOM 1148 OD1 ASN A 185 2.906 20.290 7.108 1.00 45.00 O ATOM 1149 ND2 ASN A 185 4.433 20.924 5.591 1.00 49.55 N ATOM 1150 HD22 ASN A 185 4.999 20.670 4.757 1.00 0.00 H ATOM 1151 HD21 ASN A 185 4.521 21.872 6.010 1.00 0.00 H ATOM 1152 H ASN A 185 4.687 17.281 7.269 1.00 0.00 H ATOM 1153 N ALA A 186 2.867 15.425 5.234 1.00 40.04 N ATOM 1154 CA ALA A 186 2.387 14.315 4.418 1.00 46.46 C ATOM 1155 C ALA A 186 1.177 13.635 5.052 1.00 46.78 C ATOM 1156 O ALA A 186 0.267 13.196 4.350 1.00 49.47 O ATOM 1157 CB ALA A 186 3.495 13.306 4.196 1.00 50.76 C ATOM 1158 H ALA A 186 3.780 15.335 5.724 1.00 0.00 H ATOM 1159 N PHE A 187 1.177 13.537 6.379 1.00 39.28 N ATOM 1160 CA PHE A 187 0.038 12.978 7.098 1.00 36.99 C ATOM 1161 C PHE A 187 -1.150 13.942 7.107 1.00 41.50 C ATOM 1162 O PHE A 187 -2.299 13.527 6.915 1.00 38.21 O ATOM 1163 CB PHE A 187 0.414 12.597 8.534 1.00 26.97 C ATOM 1164 CG PHE A 187 -0.746 12.099 9.349 1.00 28.58 C ATOM 1165 CD1 PHE A 187 -1.323 10.865 9.076 1.00 29.17 C ATOM 1166 CD2 PHE A 187 -1.260 12.859 10.393 1.00 26.05 C ATOM 1167 CE1 PHE A 187 -2.398 10.402 9.821 1.00 30.70 C ATOM 1168 CE2 PHE A 187 -2.334 12.399 11.138 1.00 26.67 C ATOM 1169 CZ PHE A 187 -2.903 11.171 10.851 1.00 29.08 C ATOM 1170 H PHE A 187 2.006 13.866 6.914 1.00 0.00 H ATOM 1171 N SER A 188 -0.877 15.227 7.318 1.00 41.14 N ATOM 1172 CA SER A 188 -1.958 16.187 7.518 1.00 41.31 C ATOM 1173 C SER A 188 -1.656 17.600 7.022 1.00 48.91 C ATOM 1174 O SER A 188 -0.557 18.125 7.221 1.00 47.94 O ATOM 1175 CB SER A 188 -2.327 16.241 9.003 1.00 39.79 C ATOM 1176 OG SER A 188 -3.459 17.066 9.216 1.00 45.00 O ATOM 1177 HG SER A 188 -3.676 17.084 10.182 1.00 0.00 H ATOM 1178 H SER A 188 0.112 15.549 7.341 1.00 0.00 H ATOM 1179 N SER A 189 -2.656 18.211 6.393 1.00 53.99 N ATOM 1180 CA SER A 189 -2.580 19.603 5.978 1.00 59.65 C ATOM 1181 C SER A 189 -2.725 20.526 7.186 1.00 56.26 C ATOM 1182 O SER A 189 -2.258 21.666 7.164 1.00 56.06 O ATOM 1183 CB SER A 189 -3.680 19.918 4.959 1.00 62.23 C ATOM 1184 OG SER A 189 -4.954 19.992 5.581 1.00 65.29 O ATOM 1185 HG SER A 189 -5.642 20.196 4.899 1.00 0.00 H ATOM 1186 H SER A 189 -3.523 17.674 6.191 1.00 0.00 H ATOM 1187 N GLU A 190 -3.360 20.022 8.242 1.00 52.69 N ATOM 1188 CA GLU A 190 -3.702 20.845 9.404 1.00 50.71 C ATOM 1189 C GLU A 190 -2.613 20.913 10.480 1.00 45.72 C ATOM 1190 O GLU A 190 -1.743 20.047 10.560 1.00 46.42 O ATOM 1191 CB GLU A 190 -5.018 20.368 10.027 1.00 47.38 C ATOM 1192 H GLU A 190 -3.621 19.015 8.242 1.00 0.00 H ATOM 1193 N ASP A 191 -2.696 21.938 11.326 1.00 44.63 N ATOM 1194 CA ASP A 191 -1.665 22.208 12.331 1.00 45.03 C ATOM 1195 C ASP A 191 -1.735 21.304 13.565 1.00 34.59 C ATOM 1196 O ASP A 191 -0.711 21.008 14.169 1.00 32.15 O ATOM 1197 CB ASP A 191 -1.703 23.683 12.753 1.00 52.76 C ATOM 1198 H ASP A 191 -3.521 22.569 11.271 1.00 0.00 H ATOM 1199 N ASN A 192 -2.940 20.881 13.941 1.00 27.48 N ATOM 1200 CA ASN A 192 -3.116 19.959 15.059 1.00 25.85 C ATOM 1201 C ASN A 192 -3.114 18.524 14.559 1.00 20.91 C ATOM 1202 O ASN A 192 -3.886 18.182 13.659 1.00 25.48 O ATOM 1203 CB ASN A 192 -4.442 20.238 15.774 1.00 33.15 C ATOM 1204 CG ASN A 192 -4.253 20.887 17.126 1.00 25.96 C ATOM 1205 OD1 ASN A 192 -3.135 20.991 17.625 1.00 38.11 O ATOM 1206 ND2 ASN A 192 -5.350 21.296 17.740 1.00 35.06 N ATOM 1207 HD22 ASN A 192 -6.276 21.187 17.278 1.00 0.00 H ATOM 1208 HD21 ASN A 192 -5.287 21.726 18.685 1.00 0.00 H ATOM 1209 H ASN A 192 -3.778 21.216 13.425 1.00 0.00 H ATOM 1210 N ILE A 193 -2.263 17.694 15.150 1.00 17.36 N ATOM 1211 CA ILE A 193 -2.129 16.293 14.748 1.00 19.44 C ATOM 1212 C ILE A 193 -2.661 15.337 15.821 1.00 18.45 C ATOM 1213 O ILE A 193 -2.218 15.378 16.973 1.00 20.63 O ATOM 1214 CB ILE A 193 -0.656 15.917 14.499 1.00 20.23 C ATOM 1215 CG1 ILE A 193 0.006 16.868 13.499 1.00 27.66 C ATOM 1216 CG2 ILE A 193 -0.553 14.466 14.022 1.00 23.16 C ATOM 1217 CD1 ILE A 193 -0.409 16.645 12.083 1.00 31.98 C ATOM 1218 H ILE A 193 -1.671 18.052 15.926 1.00 0.00 H ATOM 1219 N ASP A 194 -3.598 14.474 15.439 1.00 19.44 N ATOM 1220 CA ASP A 194 -4.005 13.355 16.291 1.00 16.69 C ATOM 1221 C ASP A 194 -2.855 12.348 16.239 1.00 18.80 C ATOM 1222 O ASP A 194 -2.708 11.623 15.256 1.00 19.44 O ATOM 1223 CB ASP A 194 -5.301 12.751 15.738 1.00 18.66 C ATOM 1224 CG ASP A 194 -5.847 11.613 16.591 1.00 22.01 C ATOM 1225 OD1 ASP A 194 -5.065 10.748 17.040 1.00 23.00 O ATOM 1226 OD2 ASP A 194 -7.079 11.580 16.801 1.00 29.28 O ATOM 1227 H ASP A 194 -4.053 14.597 14.512 1.00 0.00 H ATOM 1228 N TYR A 195 -2.029 12.310 17.280 1.00 17.72 N ATOM 1229 CA TYR A 195 -0.802 11.528 17.206 1.00 20.09 C ATOM 1230 C TYR A 195 -1.048 10.009 17.210 1.00 19.51 C ATOM 1231 O TYR A 195 -0.228 9.245 16.700 1.00 19.40 O ATOM 1232 CB TYR A 195 0.220 11.962 18.272 1.00 17.37 C ATOM 1233 CG TYR A 195 -0.265 11.904 19.703 1.00 17.65 C ATOM 1234 CD1 TYR A 195 -0.261 10.708 20.406 1.00 18.70 C ATOM 1235 CD2 TYR A 195 -0.688 13.057 20.359 1.00 18.92 C ATOM 1236 CE1 TYR A 195 -0.684 10.647 21.717 1.00 19.33 C ATOM 1237 CE2 TYR A 195 -1.109 13.014 21.675 1.00 18.84 C ATOM 1238 CZ TYR A 195 -1.112 11.803 22.343 1.00 18.72 C ATOM 1239 OH TYR A 195 -1.527 11.745 23.648 1.00 23.32 O ATOM 1240 HH TYR A 195 -2.465 12.057 23.709 1.00 0.00 H ATOM 1241 H TYR A 195 -2.258 12.838 18.146 1.00 0.00 H ATOM 1242 N LYS A 196 -2.182 9.577 17.760 1.00 16.89 N ATOM 1243 CA LYS A 196 -2.579 8.183 17.661 1.00 17.38 C ATOM 1244 C LYS A 196 -2.793 7.790 16.200 1.00 20.04 C ATOM 1245 O LYS A 196 -2.280 6.760 15.738 1.00 18.19 O ATOM 1246 CB LYS A 196 -3.860 7.946 18.452 1.00 18.66 C ATOM 1247 CG LYS A 196 -4.444 6.561 18.304 1.00 24.03 C ATOM 1248 CD LYS A 196 -5.878 6.554 18.832 1.00 35.00 C ATOM 1249 CE LYS A 196 -6.193 5.290 19.609 1.00 41.80 C ATOM 1250 NZ LYS A 196 -6.177 4.086 18.750 1.00 44.36 N ATOM 1251 HZ1 LYS A 196 -6.888 4.189 17.998 1.00 0.00 H ATOM 1252 HZ2 LYS A 196 -5.234 3.977 18.325 1.00 0.00 H ATOM 1253 HZ3 LYS A 196 -6.398 3.248 19.325 1.00 0.00 H ATOM 1254 H LYS A 196 -2.793 10.248 18.268 1.00 0.00 H ATOM 1255 N LEU A 197 -3.565 8.604 15.479 1.00 16.43 N ATOM 1256 CA LEU A 197 -3.806 8.352 14.064 1.00 21.92 C ATOM 1257 C LEU A 197 -2.492 8.447 13.284 1.00 19.06 C ATOM 1258 O LEU A 197 -2.264 7.684 12.339 1.00 18.05 O ATOM 1259 CB LEU A 197 -4.859 9.318 13.505 1.00 22.75 C ATOM 1260 CG LEU A 197 -6.285 9.132 14.040 1.00 21.30 C ATOM 1261 CD1 LEU A 197 -7.275 10.096 13.385 1.00 22.61 C ATOM 1262 CD2 LEU A 197 -6.743 7.691 13.817 1.00 24.40 C ATOM 1263 H LEU A 197 -4.002 9.431 15.933 1.00 0.00 H ATOM 1264 N PHE A 198 -1.627 9.375 13.682 1.00 18.52 N ATOM 1265 CA PHE A 198 -0.352 9.553 12.992 1.00 22.11 C ATOM 1266 C PHE A 198 0.527 8.314 13.114 1.00 14.77 C ATOM 1267 O PHE A 198 1.145 7.891 12.138 1.00 20.17 O ATOM 1268 CB PHE A 198 0.410 10.772 13.519 1.00 18.29 C ATOM 1269 CG PHE A 198 1.739 10.976 12.857 1.00 19.94 C ATOM 1270 CD1 PHE A 198 1.833 11.683 11.665 1.00 19.09 C ATOM 1271 CD2 PHE A 198 2.896 10.440 13.405 1.00 28.70 C ATOM 1272 CE1 PHE A 198 3.059 11.863 11.040 1.00 18.78 C ATOM 1273 CE2 PHE A 198 4.117 10.616 12.785 1.00 34.15 C ATOM 1274 CZ PHE A 198 4.199 11.333 11.601 1.00 28.58 C ATOM 1275 H PHE A 198 -1.861 9.981 14.494 1.00 0.00 H ATOM 1276 N CYS A 199 0.583 7.735 14.307 1.00 15.01 N ATOM 1277 CA CYS A 199 1.424 6.555 14.531 1.00 18.13 C ATOM 1278 C CYS A 199 0.875 5.330 13.797 1.00 20.62 C ATOM 1279 O CYS A 199 1.641 4.509 13.261 1.00 19.09 O ATOM 1280 CB CYS A 199 1.554 6.267 16.025 1.00 15.74 C ATOM 1281 SG CYS A 199 2.542 7.504 16.916 1.00 19.13 S ATOM 1282 H CYS A 199 0.023 8.123 15.093 1.00 0.00 H ATOM 1283 N GLU A 200 -0.448 5.201 13.761 1.00 18.23 N ATOM 1284 CA GLU A 200 -1.055 4.111 13.000 1.00 21.70 C ATOM 1285 C GLU A 200 -0.683 4.220 11.525 1.00 21.40 C ATOM 1286 O GLU A 200 -0.433 3.213 10.861 1.00 24.37 O ATOM 1287 CB GLU A 200 -2.577 4.093 13.189 1.00 22.51 C ATOM 1288 CG GLU A 200 -2.991 3.807 14.629 1.00 22.90 C ATOM 1289 CD GLU A 200 -4.463 4.064 14.900 1.00 30.59 C ATOM 1290 OE1 GLU A 200 -5.167 4.566 13.995 1.00 34.37 O ATOM 1291 OE2 GLU A 200 -4.915 3.765 16.029 1.00 30.66 O ATOM 1292 H GLU A 200 -1.051 5.876 14.274 1.00 0.00 H ATOM 1293 N ASP A 201 -0.618 5.448 11.024 1.00 20.20 N ATOM 1294 CA ASP A 201 -0.330 5.682 9.616 1.00 22.02 C ATOM 1295 C ASP A 201 1.143 5.463 9.308 1.00 28.41 C ATOM 1296 O ASP A 201 1.487 4.978 8.226 1.00 27.83 O ATOM 1297 CB ASP A 201 -0.744 7.095 9.217 1.00 22.06 C ATOM 1298 CG ASP A 201 -0.369 7.432 7.792 1.00 29.87 C ATOM 1299 OD1 ASP A 201 -1.107 7.033 6.869 1.00 33.62 O ATOM 1300 OD2 ASP A 201 0.659 8.109 7.593 1.00 33.14 O ATOM 1301 H ASP A 201 -0.777 6.262 11.652 1.00 0.00 H ATOM 1302 N ILE A 202 2.011 5.821 10.254 1.00 26.11 N ATOM 1303 CA ILE A 202 3.448 5.665 10.039 1.00 29.74 C ATOM 1304 C ILE A 202 3.865 4.193 10.005 1.00 27.46 C ATOM 1305 O ILE A 202 4.812 3.825 9.300 1.00 29.12 O ATOM 1306 CB ILE A 202 4.301 6.487 11.056 1.00 23.60 C ATOM 1307 CG1 ILE A 202 5.624 6.909 10.418 1.00 32.47 C ATOM 1308 CG2 ILE A 202 4.554 5.725 12.336 1.00 23.55 C ATOM 1309 CD1 ILE A 202 5.442 7.892 9.285 1.00 30.01 C ATOM 1310 H ILE A 202 1.663 6.214 11.152 1.00 0.00 H ATOM 1311 N LEU A 203 3.145 3.344 10.736 1.00 25.32 N ATOM 1312 CA LEU A 203 3.453 1.916 10.724 1.00 27.32 C ATOM 1313 C LEU A 203 2.774 1.193 9.567 1.00 38.54 C ATOM 1314 O LEU A 203 3.122 0.047 9.262 1.00 45.37 O ATOM 1315 CB LEU A 203 3.088 1.248 12.049 1.00 27.15 C ATOM 1316 CG LEU A 203 4.004 1.546 13.228 1.00 31.45 C ATOM 1317 CD1 LEU A 203 3.572 0.756 14.425 1.00 32.65 C ATOM 1318 CD2 LEU A 203 5.427 1.190 12.877 1.00 41.95 C ATOM 1319 H LEU A 203 2.360 3.699 11.318 1.00 0.00 H ATOM 1320 N GLN A 204 1.799 1.849 8.937 1.00 41.21 N ATOM 1321 CA GLN A 204 1.205 1.324 7.705 1.00 50.27 C ATOM 1322 C GLN A 204 2.273 1.270 6.619 1.00 59.69 C ATOM 1323 O GLN A 204 2.342 2.146 5.755 1.00 60.51 O ATOM 1324 CB GLN A 204 0.046 2.198 7.213 1.00 49.33 C ATOM 1325 CG GLN A 204 -1.284 1.977 7.911 1.00 52.80 C ATOM 1326 CD GLN A 204 -1.969 0.685 7.500 1.00 52.20 C ATOM 1327 OE1 GLN A 204 -2.140 -0.218 8.314 1.00 53.27 O ATOM 1328 NE2 GLN A 204 -2.373 0.598 6.238 1.00 59.74 N ATOM 1329 OXT GLN A 204 3.095 0.356 6.571 1.00 67.60 O ATOM 1330 HE22 GLN A 204 -2.207 1.389 5.583 1.00 0.00 H ATOM 1331 HE21 GLN A 204 -2.856 -0.261 5.905 1.00 0.00 H ATOM 1332 H GLN A 204 1.454 2.749 9.327 1.00 0.00 H TER 1333 GLN A 204 HETATM 1334 O HOH 1 16.084 0.623 17.183 1.00 20.92 O HETATM 1335 O HOH 2 -0.800 0.843 11.989 1.00 39.77 O HETATM 1336 O HOH 3 14.805 -1.484 -8.363 1.00 34.69 O HETATM 1337 O HOH 4 6.978 3.771 24.347 1.00 29.26 O HETATM 1338 O HOH 5 -3.396 4.437 9.107 1.00 24.55 O HETATM 1339 O HOH 6 26.814 5.298 -3.231 1.00 27.91 O HETATM 1340 O HOH 7 10.961 -2.886 18.550 1.00 38.90 O HETATM 1341 O HOH 8 18.053 5.593 3.427 1.00 26.71 O HETATM 1342 O HOH 9 36.636 -2.154 2.265 1.00 41.26 O HETATM 1343 O HOH 10 3.265 19.063 23.966 1.00 33.21 O HETATM 1344 O HOH 11 27.954 4.402 9.058 1.00 36.67 O HETATM 1345 O HOH 12 -3.566 1.767 9.947 1.00 27.12 O HETATM 1346 O HOH 13 0.959 19.673 24.734 1.00 37.02 O HETATM 1347 O HOH 14 -3.309 20.010 22.785 1.00 34.83 O HETATM 1348 O HOH 15 29.962 1.542 15.334 1.00 24.54 O HETATM 1349 O HOH 16 13.206 -8.941 15.530 1.00 36.36 O HETATM 1350 O HOH 17 8.678 -7.714 11.501 1.00 32.73 O HETATM 1351 O HOH 18 20.831 -14.124 -1.432 1.00 45.04 O HETATM 1352 O HOH 19 15.903 -16.967 -0.297 1.00 36.63 O HETATM 1353 O HOH 20 25.981 -9.665 -6.263 1.00 37.01 O HETATM 1354 O HOH 21 19.051 4.238 -9.365 1.00 46.51 O HETATM 1355 O HOH 22 27.103 3.404 11.641 1.00 33.73 O HETATM 1356 O HOH 23 15.388 -6.469 17.129 1.00 36.33 O HETATM 1357 O HOH 24 11.057 -12.052 16.859 1.00 43.01 O HETATM 1358 O HOH 25 2.861 24.529 19.052 1.00 41.18 O HETATM 1359 O HOH 26 15.549 -15.969 -4.711 1.00 38.00 O HETATM 1360 O HOH 27 20.166 -4.088 16.822 1.00 31.23 O HETATM 1361 O HOH 28 2.603 21.050 29.988 1.00 34.61 O HETATM 1362 O HOH 29 -4.240 6.578 10.735 1.00 25.25 O HETATM 1363 O HOH 30 19.190 0.414 -4.354 1.00 21.22 O HETATM 1364 O HOH 31 27.962 4.351 5.156 1.00 22.41 O HETATM 1365 O HOH 32 -3.701 2.023 17.816 1.00 33.57 O HETATM 1366 O HOH 33 15.911 5.716 14.124 1.00 15.40 O HETATM 1367 O HOH 34 -2.416 -3.466 23.205 1.00 28.37 O HETATM 1368 O HOH 35 -7.867 4.205 14.998 1.00 29.08 O HETATM 1369 O HOH 36 27.647 1.278 -1.603 1.00 16.41 O HETATM 1370 O HOH 37 30.337 -9.350 -1.510 1.00 21.10 O HETATM 1371 O HOH 38 32.033 -12.143 7.659 1.00 27.82 O HETATM 1372 O HOH 39 9.246 -3.250 12.017 1.00 29.83 O HETATM 1373 O HOH 40 8.087 -21.085 7.150 1.00 26.97 O HETATM 1374 O HOH 41 10.441 12.654 5.918 1.00 28.31 O HETATM 1375 O HOH 42 29.537 -12.256 0.667 1.00 23.99 O HETATM 1376 O HOH 43 11.937 -6.318 17.554 1.00 30.58 O HETATM 1377 O HOH 44 12.093 -3.045 10.667 1.00 24.75 O HETATM 1378 O HOH 45 24.372 5.491 12.425 1.00 34.11 O HETATM 1379 O HOH 46 -5.227 1.021 14.502 1.00 23.96 O HETATM 1380 O HOH 47 20.373 8.277 18.849 1.00 26.89 O HETATM 1381 O HOH 48 0.427 -2.380 17.014 1.00 34.51 O HETATM 1382 O HOH 49 16.424 20.833 7.150 1.00 28.78 O HETATM 1383 O HOH 50 24.793 -0.416 18.517 1.00 24.68 O HETATM 1384 O HOH 51 2.259 9.284 9.401 1.00 28.05 O HETATM 1385 O HOH 52 -5.679 9.103 9.287 1.00 42.78 O HETATM 1386 O HOH 53 27.046 2.951 -5.152 1.00 30.24 O HETATM 1387 O HOH 54 12.943 -15.587 -3.781 1.00 28.75 O HETATM 1388 O HOH 55 18.363 12.785 9.022 1.00 26.50 O HETATM 1389 O HOH 56 31.567 0.089 -1.481 1.00 34.04 O HETATM 1390 O HOH 57 17.809 18.163 13.432 1.00 32.90 O HETATM 1391 O HOH 58 34.258 -2.501 5.926 1.00 23.22 O HETATM 1392 O HOH 59 -4.744 14.388 12.903 1.00 29.71 O HETATM 1393 O HOH 60 16.958 17.200 4.995 1.00 32.21 O HETATM 1394 O HOH 61 33.652 -5.991 4.839 1.00 26.71 O HETATM 1395 O HOH 62 17.595 -1.590 17.403 1.00 27.60 O HETATM 1396 O HOH 63 -4.291 10.978 19.689 1.00 27.38 O HETATM 1397 O HOH 64 -8.869 13.166 15.237 1.00 35.21 O HETATM 1398 O HOH 65 18.526 5.243 -5.451 1.00 33.23 O HETATM 1399 O HOH 66 13.334 -15.075 -0.832 1.00 30.07 O HETATM 1400 O HOH 67 12.263 15.571 3.599 1.00 42.10 O HETATM 1401 O HOH 68 -4.886 9.295 21.658 1.00 36.48 O HETATM 1402 O HOH 69 11.466 13.354 3.130 1.00 36.16 O HETATM 1403 O HOH 70 16.010 3.087 -5.738 1.00 34.99 O HETATM 1404 O HOH 71 10.960 -8.269 -0.998 1.00 27.39 O HETATM 1405 O HOH 72 27.283 5.492 0.645 1.00 28.29 O HETATM 1406 O HOH 73 -7.952 8.976 17.603 1.00 33.88 O HETATM 1407 O HOH 74 20.190 11.954 12.844 1.00 32.21 O HETATM 1408 O HOH 75 10.689 0.480 21.757 1.00 35.16 O HETATM 1409 O HOH 76 15.218 16.757 2.984 1.00 40.13 O HETATM 1410 O HOH 77 17.717 20.690 10.317 1.00 31.18 O HETATM 1411 O HOH 78 18.732 11.685 22.527 1.00 32.17 O HETATM 1412 O HOH 79 20.826 5.707 3.643 1.00 29.03 O HETATM 1413 O HOH 80 17.378 19.631 5.012 1.00 33.78 O HETATM 1414 O HOH 81 21.549 3.300 -7.630 1.00 39.50 O HETATM 1415 O HOH 82 30.238 -4.177 -7.072 1.00 30.19 O HETATM 1416 O HOH 83 -1.344 18.448 23.719 1.00 33.10 O HETATM 1417 O HOH 84 -5.078 20.809 20.820 1.00 32.29 O HETATM 1418 O HOH 85 6.030 9.097 29.716 1.00 21.79 O HETATM 1419 O HOH 86 30.070 2.572 -1.946 1.00 29.16 O HETATM 1420 O HOH 87 35.261 -1.796 16.142 1.00 31.37 O HETATM 1421 O HOH 88 13.228 6.087 29.444 1.00 37.53 O HETATM 1422 O HOH 89 14.994 1.425 19.582 1.00 20.69 O HETATM 1423 O HOH 90 11.084 3.506 24.970 1.00 24.74 O HETATM 1424 O HOH 91 14.717 3.207 8.995 1.00 16.16 O HETATM 1425 O HOH 92 17.346 10.648 7.117 1.00 37.75 O HETATM 1426 O HOH 93 16.386 5.933 11.527 1.00 19.69 O HETATM 1427 O HOH 94 8.225 10.049 6.689 1.00 32.00 O HETATM 1428 O HOH 95 15.056 6.547 27.539 1.00 28.31 O HETATM 1429 O HOH 96 8.491 10.229 25.268 1.00 23.30 O HETATM 1430 O HOH 97 13.932 -0.647 20.612 1.00 32.94 O HETATM 1431 O HOH 98 17.181 1.599 21.417 1.00 34.77 O HETATM 1432 O HOH 99 19.374 6.089 11.172 1.00 37.62 O HETATM 1433 O HOH 100 7.362 10.384 4.281 1.00 34.13 O HETATM 1434 O HOH 101 18.845 3.760 22.540 1.00 34.05 O HETATM 1435 C ACE A 102 14.922 11.413 27.723 1.00 0.18 C HETATM 1436 O ACE A 102 15.575 10.746 28.508 1.00 -0.40 O HETATM 1437 CH3 ACE A 102 15.387 12.789 27.313 1.00 0.03 C HETATM 1438 H ACE A 102 14.666 13.224 26.605 1.00 0.05 H HETATM 1439 H ACE A 102 16.374 12.715 26.833 1.00 0.05 H HETATM 1440 H ACE A 102 15.460 13.432 28.203 1.00 0.05 H HETATM 1441 N ACE A 102 13.677 11.106 27.374 1.00 -0.27 N HETATM 1442 CA ACE A 102 12.996 9.934 27.914 1.00 0.13 C HETATM 1443 C ACE A 102 12.374 9.097 26.801 1.00 0.20 C HETATM 1444 O ACE A 102 12.141 9.590 25.697 1.00 -0.39 O HETATM 1445 N ACE A 102 12.107 7.830 27.099 1.00 -0.26 N HETATM 1446 CA ACE A 102 11.507 6.917 26.118 1.00 0.15 C HETATM 1447 C ACE A 102 12.305 6.831 24.816 1.00 0.21 C HETATM 1448 O ACE A 102 11.733 6.679 23.734 1.00 -0.39 O HETATM 1449 N ACE A 102 13.624 6.944 24.917 1.00 -0.26 N HETATM 1450 CA ACE A 102 14.474 6.991 23.722 1.00 0.13 C HETATM 1451 C ACE A 102 14.341 5.779 22.777 1.00 0.21 C HETATM 1452 O ACE A 102 14.252 5.968 21.558 1.00 -0.39 O HETATM 1453 N ACE A 102 14.319 4.541 23.315 1.00 -0.25 N HETATM 1454 CA ACE A 102 14.165 3.411 22.384 1.00 0.13 C HETATM 1455 C ACE A 102 12.928 3.524 21.487 1.00 0.20 C HETATM 1456 O ACE A 102 13.046 3.269 20.289 1.00 -0.39 O HETATM 1457 N ACE A 102 11.781 3.907 22.047 1.00 -0.26 N HETATM 1458 CA ACE A 102 10.560 4.026 21.254 1.00 0.15 C HETATM 1459 C ACE A 102 10.666 5.175 20.261 1.00 0.21 C HETATM 1460 O ACE A 102 10.146 5.099 19.137 1.00 -0.39 O HETATM 1461 N ACE A 102 11.320 6.254 20.671 1.00 -0.26 N HETATM 1462 CA ACE A 102 11.553 7.349 19.733 1.00 0.13 C HETATM 1463 C ACE A 102 12.407 6.897 18.546 1.00 0.20 C HETATM 1464 O ACE A 102 12.158 7.302 17.411 1.00 -0.39 O HETATM 1465 N ACE A 102 13.429 6.084 18.802 1.00 -0.26 N HETATM 1466 CA ACE A 102 14.267 5.610 17.709 1.00 0.13 C HETATM 1467 C ACE A 102 13.439 4.778 16.733 1.00 0.20 C HETATM 1468 O ACE A 102 13.645 4.864 15.526 1.00 -0.39 O HETATM 1469 N ACE A 102 12.512 3.972 17.249 1.00 -0.26 N HETATM 1470 CA ACE A 102 11.667 3.158 16.377 1.00 0.13 C HETATM 1471 C ACE A 102 10.773 4.058 15.531 1.00 0.20 C HETATM 1472 O ACE A 102 10.589 3.820 14.342 1.00 -0.39 O HETATM 1473 N ACE A 102 10.211 5.098 16.135 1.00 -0.26 N HETATM 1474 CA ACE A 102 9.395 6.023 15.356 1.00 0.13 C HETATM 1475 C ACE A 102 10.230 6.690 14.253 1.00 0.20 C HETATM 1476 O ACE A 102 9.808 6.744 13.087 1.00 -0.39 O HETATM 1477 N ACE A 102 11.397 7.217 14.611 1.00 -0.26 N HETATM 1478 CA ACE A 102 12.235 7.893 13.625 1.00 0.13 C HETATM 1479 C ACE A 102 12.630 6.920 12.519 1.00 0.20 C HETATM 1480 O ACE A 102 12.714 7.300 11.352 1.00 -0.39 O HETATM 1481 N ACE A 102 12.856 5.665 12.892 1.00 -0.26 N HETATM 1482 CA ACE A 102 13.196 4.636 11.915 1.00 0.13 C HETATM 1483 C ACE A 102 12.043 4.415 10.929 1.00 0.20 C HETATM 1484 O ACE A 102 12.261 4.282 9.728 1.00 -0.39 O HETATM 1485 N ACE A 102 10.813 4.371 11.421 1.00 -0.26 N HETATM 1486 CA ACE A 102 9.685 4.190 10.501 1.00 0.14 C HETATM 1487 C ACE A 102 9.432 5.409 9.617 1.00 0.21 C HETATM 1488 O ACE A 102 8.977 5.275 8.484 1.00 -0.39 O HETATM 1489 N ACE A 102 9.739 6.596 10.126 1.00 -0.26 N HETATM 1490 CA ACE A 102 9.619 7.805 9.318 1.00 0.13 C HETATM 1491 C ACE A 102 10.628 7.801 8.168 1.00 0.20 C HETATM 1492 O ACE A 102 10.296 8.182 7.043 1.00 -0.39 O HETATM 1493 N ACE A 102 11.840 7.328 8.441 1.00 -0.26 N HETATM 1494 CA ACE A 102 12.858 7.228 7.395 1.00 0.13 C HETATM 1495 C ACE A 102 12.482 6.150 6.379 1.00 0.20 C HETATM 1496 O ACE A 102 12.695 6.310 5.168 1.00 -0.39 O HETATM 1497 N ACE A 102 11.918 5.052 6.878 1.00 -0.26 N HETATM 1498 CA ACE A 102 11.394 4.000 6.006 1.00 0.13 C HETATM 1499 C ACE A 102 10.328 4.556 5.066 1.00 0.20 C HETATM 1500 O ACE A 102 10.388 4.359 3.845 1.00 -0.39 O HETATM 1501 N ACE A 102 9.349 5.255 5.632 1.00 -0.26 N HETATM 1502 CA ACE A 102 8.223 5.740 4.829 1.00 0.13 C HETATM 1503 C ACE A 102 8.646 6.760 3.784 1.00 0.20 C HETATM 1504 O ACE A 102 8.045 6.833 2.712 1.00 -0.39 O HETATM 1505 N ACE A 102 9.677 7.541 4.094 1.00 -0.26 N HETATM 1506 CA ACE A 102 10.147 8.589 3.183 1.00 0.13 C HETATM 1507 C ACE A 102 11.005 8.021 2.054 1.00 0.20 C HETATM 1508 O ACE A 102 11.298 8.715 1.078 1.00 -0.39 O HETATM 1509 N ACE A 102 11.419 6.817 2.115 1.00 -0.27 N HETATM 1510 CA ACE A 102 12.393 6.263 1.179 1.00 0.12 C HETATM 1511 C ACE A 102 11.809 5.969 -0.210 1.00 0.22 C HETATM 1512 O ACE A 102 10.599 5.799 -0.371 1.00 -0.41 O HETATM 1513 O1 ACE A 102 12.581 5.900 -1.204 1.00 -0.41 O HETATM 1514 CB ACE A 102 13.065 5.004 1.746 1.00 -0.01 C HETATM 1515 CG1 ACE A 102 12.035 3.896 1.965 1.00 -0.06 C HETATM 1516 H ACE A 102 12.536 3.005 2.371 1.00 0.02 H HETATM 1517 H ACE A 102 11.558 3.644 1.006 1.00 0.02 H HETATM 1518 H ACE A 102 11.270 4.242 2.675 1.00 0.02 H HETATM 1519 CG2 ACE A 102 14.134 4.527 0.809 1.00 -0.06 C HETATM 1520 H ACE A 102 14.872 5.329 0.656 1.00 0.02 H HETATM 1521 H ACE A 102 13.681 4.256 -0.156 1.00 0.02 H HETATM 1522 H ACE A 102 14.633 3.647 1.240 1.00 0.02 H HETATM 1523 H ACE A 102 13.525 5.255 2.713 1.00 0.03 H HETATM 1524 H ACE A 102 13.176 7.024 1.046 1.00 0.08 H HETATM 1525 H ACE A 102 11.060 6.225 2.837 1.00 0.19 H HETATM 1526 CB ACE A 102 10.916 9.697 3.931 1.00 -0.00 C HETATM 1527 CG ACE A 102 12.339 9.311 4.380 1.00 -0.00 C HETATM 1528 SD ACE A 102 13.326 10.576 5.255 1.00 -0.16 S HETATM 1529 CE ACE A 102 14.115 11.386 3.854 1.00 -0.02 C HETATM 1530 H ACE A 102 14.764 12.197 4.217 1.00 0.03 H HETATM 1531 H ACE A 102 13.344 11.803 3.189 1.00 0.03 H HETATM 1532 H ACE A 102 14.720 10.653 3.300 1.00 0.03 H HETATM 1533 H ACE A 102 12.900 9.021 3.479 1.00 0.04 H HETATM 1534 H ACE A 102 12.248 8.444 5.050 1.00 0.04 H HETATM 1535 H ACE A 102 10.338 9.970 4.826 1.00 0.03 H HETATM 1536 H ACE A 102 10.993 10.569 3.265 1.00 0.03 H HETATM 1537 H ACE A 102 9.258 9.049 2.727 1.00 0.08 H HETATM 1538 H ACE A 102 10.143 7.410 4.969 1.00 0.19 H HETATM 1539 CB ACE A 102 7.112 6.323 5.713 1.00 -0.02 C HETATM 1540 CG ACE A 102 6.325 5.272 6.489 1.00 -0.06 C HETATM 1541 H ACE A 102 5.552 5.767 7.095 1.00 0.02 H HETATM 1542 H ACE A 102 7.008 4.716 7.148 1.00 0.02 H HETATM 1543 H ACE A 102 5.848 4.576 5.783 1.00 0.02 H HETATM 1544 H ACE A 102 6.411 6.875 5.070 1.00 0.03 H HETATM 1545 H ACE A 102 7.571 7.015 6.435 1.00 0.03 H HETATM 1546 H ACE A 102 7.806 4.873 4.295 1.00 0.08 H HETATM 1547 H ACE A 102 9.381 5.451 6.612 1.00 0.19 H HETATM 1548 CB ACE A 102 10.784 2.871 6.847 1.00 -0.01 C HETATM 1549 CG ACE A 102 10.172 1.723 6.037 1.00 -0.04 C HETATM 1550 CD ACE A 102 9.085 1.007 6.849 1.00 -0.01 C HETATM 1551 CE ACE A 102 7.918 1.973 7.115 1.00 -0.04 C HETATM 1552 NZ ACE A 102 6.920 1.533 8.147 1.00 0.22 N HETATM 1553 H ACE A 102 6.203 2.235 8.242 1.00 0.20 H HETATM 1554 H ACE A 102 7.385 1.407 9.032 1.00 0.20 H HETATM 1555 H ACE A 102 6.502 0.662 7.860 1.00 0.20 H HETATM 1556 H ACE A 102 7.379 2.119 6.167 1.00 0.08 H HETATM 1557 H ACE A 102 8.344 2.932 7.446 1.00 0.08 H HETATM 1558 H ACE A 102 9.507 0.670 7.807 1.00 0.03 H HETATM 1559 H ACE A 102 8.719 0.138 6.283 1.00 0.03 H HETATM 1560 H ACE A 102 10.962 1.003 5.777 1.00 0.03 H HETATM 1561 H ACE A 102 9.727 2.128 5.116 1.00 0.03 H HETATM 1562 H ACE A 102 9.994 3.303 7.478 1.00 0.03 H HETATM 1563 H ACE A 102 11.576 2.454 7.486 1.00 0.03 H HETATM 1564 H ACE A 102 12.222 3.594 5.406 1.00 0.08 H HETATM 1565 H ACE A 102 11.851 4.944 7.870 1.00 0.19 H HETATM 1566 CB ACE A 102 14.240 6.968 8.000 1.00 -0.01 C HETATM 1567 CG ACE A 102 14.820 8.209 8.676 1.00 -0.02 C HETATM 1568 CD ACE A 102 16.314 8.115 8.921 1.00 0.06 C HETATM 1569 NE ACE A 102 16.836 9.388 9.433 1.00 -0.27 N HETATM 1570 CZ ACE A 102 16.879 9.713 10.726 1.00 0.29 C HETATM 1571 NH1 ACE A 102 16.442 8.857 11.651 1.00 -0.28 N HETATM 1572 H ACE A 102 16.478 9.114 12.648 1.00 0.26 H HETATM 1573 H ACE A 102 16.069 7.939 11.368 1.00 0.26 H HETATM 1574 NH2 ACE A 102 17.362 10.892 11.093 1.00 -0.28 N HETATM 1575 H ACE A 102 17.700 11.555 10.380 1.00 0.26 H HETATM 1576 H ACE A 102 17.399 11.145 12.091 1.00 0.26 H HETATM 1577 H ACE A 102 17.191 10.073 8.751 1.00 0.26 H HETATM 1578 H ACE A 102 16.820 7.871 7.976 1.00 0.07 H HETATM 1579 H ACE A 102 16.510 7.322 9.657 1.00 0.07 H HETATM 1580 H ACE A 102 14.316 8.348 9.644 1.00 0.03 H HETATM 1581 H ACE A 102 14.626 9.080 8.033 1.00 0.03 H HETATM 1582 H ACE A 102 14.923 6.650 7.198 1.00 0.03 H HETATM 1583 H ACE A 102 14.154 6.166 8.748 1.00 0.03 H HETATM 1584 H ACE A 102 12.898 8.192 6.866 1.00 0.08 H HETATM 1585 H ACE A 102 12.059 7.037 9.373 1.00 0.19 H HETATM 1586 CB ACE A 102 9.761 9.044 10.196 1.00 -0.01 C HETATM 1587 CG ACE A 102 8.505 9.299 11.031 1.00 -0.04 C HETATM 1588 CD ACE A 102 8.729 10.304 12.156 1.00 -0.04 C HETATM 1589 CE ACE A 102 7.425 10.545 12.922 1.00 -0.10 C HETATM 1590 CE ACE A 102 7.205 10.018 14.130 1.00 -0.10 C HETATM 1591 CD ACE A 102 8.257 9.156 14.836 1.00 -0.04 C HETATM 1592 CG ACE A 102 7.651 7.945 15.541 1.00 -0.04 C HETATM 1593 CB ACE A 102 8.722 7.079 16.254 1.00 -0.01 C HETATM 1594 H ACE A 102 9.504 7.750 16.640 1.00 0.03 H HETATM 1595 H ACE A 102 8.239 6.558 17.093 1.00 0.03 H HETATM 1596 H ACE A 102 6.926 8.298 16.290 1.00 0.03 H HETATM 1597 H ACE A 102 7.134 7.324 14.795 1.00 0.03 H HETATM 1598 H ACE A 102 8.981 8.802 14.088 1.00 0.04 H HETATM 1599 H ACE A 102 8.775 9.775 15.583 1.00 0.04 H HETATM 1600 H ACE A 102 6.254 10.206 14.626 1.00 0.04 H HETATM 1601 H ACE A 102 6.653 11.165 12.468 1.00 0.04 H HETATM 1602 H ACE A 102 9.079 11.255 11.728 1.00 0.04 H HETATM 1603 H ACE A 102 9.489 9.911 12.848 1.00 0.04 H HETATM 1604 H ACE A 102 8.179 8.346 11.473 1.00 0.03 H HETATM 1605 H ACE A 102 7.716 9.685 10.368 1.00 0.03 H HETATM 1606 H ACE A 102 9.943 9.917 9.552 1.00 0.03 H HETATM 1607 H ACE A 102 10.616 8.903 10.874 1.00 0.03 H HETATM 1608 H ACE A 102 8.611 7.819 8.877 1.00 0.08 H HETATM 1609 H ACE A 102 10.056 6.662 11.072 1.00 0.19 H HETATM 1610 CB ACE A 102 8.424 3.760 11.248 1.00 0.01 C HETATM 1611 CG ACE A 102 8.465 2.325 11.677 1.00 -0.00 C HETATM 1612 ND1 ACE A 102 8.114 1.294 10.833 1.00 -0.33 N HETATM 1613 CE1 ACE A 102 8.269 0.143 11.467 1.00 0.09 C HETATM 1614 NE2 ACE A 102 8.711 0.394 12.684 1.00 -0.28 N HETATM 1615 CD2 ACE A 102 8.855 1.754 12.837 1.00 0.03 C HETATM 1616 H ACE A 102 9.215 2.272 13.725 1.00 0.07 H HETATM 1617 H ACE A 102 8.915 -0.314 13.404 1.00 0.24 H HETATM 1618 H ACE A 102 8.066 -0.844 11.054 1.00 0.12 H HETATM 1619 H ACE A 102 7.557 3.905 10.587 1.00 0.04 H HETATM 1620 H ACE A 102 8.312 4.391 12.142 1.00 0.04 H HETATM 1621 H ACE A 102 9.956 3.364 9.827 1.00 0.08 H HETATM 1622 H ACE A 102 10.656 4.460 12.405 1.00 0.19 H HETATM 1623 CB ACE A 102 13.565 3.330 12.619 1.00 -0.02 C HETATM 1624 H ACE A 102 13.818 2.567 11.868 1.00 0.03 H HETATM 1625 H ACE A 102 12.711 2.984 13.220 1.00 0.03 H HETATM 1626 H ACE A 102 14.431 3.499 13.275 1.00 0.03 H HETATM 1627 H ACE A 102 14.072 4.979 11.346 1.00 0.08 H HETATM 1628 H ACE A 102 12.792 5.421 13.860 1.00 0.19 H HETATM 1629 CB ACE A 102 13.472 8.512 14.288 1.00 0.00 C HETATM 1630 CG ACE A 102 13.127 9.715 15.174 1.00 0.04 C HETATM 1631 CD ACE A 102 14.212 10.039 16.190 1.00 0.17 C HETATM 1632 OE1 ACE A 102 14.911 9.151 16.670 1.00 -0.40 O HETATM 1633 NE2 ACE A 102 14.336 11.316 16.539 1.00 -0.30 N HETATM 1634 H ACE A 102 15.033 11.587 17.203 1.00 0.18 H HETATM 1635 H ACE A 102 13.733 12.005 16.137 1.00 0.18 H HETATM 1636 H ACE A 102 12.195 9.495 15.715 1.00 0.05 H HETATM 1637 H ACE A 102 12.978 10.594 14.529 1.00 0.05 H HETATM 1638 H ACE A 102 14.166 8.842 13.501 1.00 0.03 H HETATM 1639 H ACE A 102 13.960 7.746 14.909 1.00 0.03 H HETATM 1640 H ACE A 102 11.648 8.706 13.174 1.00 0.08 H HETATM 1641 H ACE A 102 11.702 7.150 15.561 1.00 0.19 H HETATM 1642 H ACE A 102 8.598 5.440 14.870 1.00 0.08 H HETATM 1643 H ACE A 102 10.346 5.246 17.115 1.00 0.19 H HETATM 1644 CB ACE A 102 10.826 2.147 17.170 1.00 -0.01 C HETATM 1645 CG ACE A 102 11.635 1.109 17.985 1.00 -0.02 C HETATM 1646 CD ACE A 102 12.744 0.432 17.174 1.00 0.06 C HETATM 1647 NE ACE A 102 12.236 -0.083 15.912 1.00 -0.27 N HETATM 1648 CZ ACE A 102 12.889 -0.015 14.759 1.00 0.29 C HETATM 1649 NH1 ACE A 102 14.107 0.515 14.716 1.00 -0.28 N HETATM 1650 H ACE A 102 14.614 0.568 13.821 1.00 0.26 H HETATM 1651 H ACE A 102 14.544 0.873 15.578 1.00 0.26 H HETATM 1652 NH2 ACE A 102 12.323 -0.482 13.653 1.00 -0.28 N HETATM 1653 H ACE A 102 11.379 -0.892 13.691 1.00 0.26 H HETATM 1654 H ACE A 102 12.828 -0.434 12.757 1.00 0.26 H HETATM 1655 H ACE A 102 11.308 -0.530 15.914 1.00 0.26 H HETATM 1656 H ACE A 102 13.159 -0.401 17.760 1.00 0.07 H HETATM 1657 H ACE A 102 13.537 1.166 16.968 1.00 0.07 H HETATM 1658 H ACE A 102 10.944 0.333 18.346 1.00 0.03 H HETATM 1659 H ACE A 102 12.094 1.621 18.844 1.00 0.03 H HETATM 1660 H ACE A 102 10.191 1.600 16.457 1.00 0.03 H HETATM 1661 H ACE A 102 10.191 2.709 17.871 1.00 0.03 H HETATM 1662 H ACE A 102 12.324 2.592 15.700 1.00 0.08 H HETATM 1663 H ACE A 102 12.393 3.924 18.241 1.00 0.19 H HETATM 1664 CB ACE A 102 15.454 4.787 18.220 1.00 -0.01 C HETATM 1665 CG ACE A 102 16.521 5.471 19.073 1.00 -0.04 C HETATM 1666 CD1 ACE A 102 17.687 4.521 19.310 1.00 -0.06 C HETATM 1667 H ACE A 102 18.449 5.022 19.925 1.00 0.02 H HETATM 1668 H ACE A 102 18.127 4.232 18.344 1.00 0.02 H HETATM 1669 H ACE A 102 17.328 3.622 19.833 1.00 0.02 H HETATM 1670 CD2 ACE A 102 17.016 6.728 18.412 1.00 -0.06 C HETATM 1671 H ACE A 102 16.170 7.411 18.243 1.00 0.02 H HETATM 1672 H ACE A 102 17.482 6.476 17.448 1.00 0.02 H HETATM 1673 H ACE A 102 17.757 7.216 19.061 1.00 0.02 H HETATM 1674 H ACE A 102 16.076 5.736 20.044 1.00 0.03 H HETATM 1675 H ACE A 102 15.964 4.375 17.337 1.00 0.03 H HETATM 1676 H ACE A 102 15.040 3.964 18.822 1.00 0.03 H HETATM 1677 H ACE A 102 14.661 6.487 17.174 1.00 0.08 H HETATM 1678 H ACE A 102 13.621 5.800 19.741 1.00 0.19 H HETATM 1679 CB ACE A 102 12.186 8.562 20.426 1.00 -0.01 C HETATM 1680 CG ACE A 102 12.581 9.747 19.523 1.00 -0.04 C HETATM 1681 CD1 ACE A 102 11.377 10.343 18.753 1.00 -0.06 C HETATM 1682 H ACE A 102 11.720 11.181 18.128 1.00 0.02 H HETATM 1683 H ACE A 102 10.625 10.704 19.470 1.00 0.02 H HETATM 1684 H ACE A 102 10.931 9.568 18.113 1.00 0.02 H HETATM 1685 CD2 ACE A 102 13.278 10.854 20.344 1.00 -0.06 C HETATM 1686 H ACE A 102 14.132 10.424 20.888 1.00 0.02 H HETATM 1687 H ACE A 102 12.564 11.283 21.062 1.00 0.02 H HETATM 1688 H ACE A 102 13.635 11.643 19.666 1.00 0.02 H HETATM 1689 H ACE A 102 13.299 9.371 18.780 1.00 0.03 H HETATM 1690 H ACE A 102 13.096 8.216 20.939 1.00 0.03 H HETATM 1691 H ACE A 102 11.466 8.935 21.169 1.00 0.03 H HETATM 1692 H ACE A 102 10.574 7.662 19.340 1.00 0.08 H HETATM 1693 H ACE A 102 11.650 6.317 21.613 1.00 0.19 H HETATM 1694 CB ACE A 102 9.342 4.222 22.161 1.00 0.08 C HETATM 1695 OG ACE A 102 9.165 3.080 22.986 1.00 -0.39 O HETATM 1696 H ACE A 102 8.408 3.209 23.545 1.00 0.21 H HETATM 1697 H ACE A 102 8.445 4.367 21.541 1.00 0.06 H HETATM 1698 H ACE A 102 9.497 5.108 22.794 1.00 0.06 H HETATM 1699 H ACE A 102 10.425 3.092 20.689 1.00 0.08 H HETATM 1700 H ACE A 102 11.756 4.116 23.025 1.00 0.19 H HETATM 1701 CB ACE A 102 14.030 2.209 23.320 1.00 -0.01 C HETATM 1702 CG ACE A 102 14.824 2.607 24.520 1.00 -0.03 C HETATM 1703 CD ACE A 102 14.550 4.075 24.695 1.00 0.04 C HETATM 1704 H ACE A 102 13.660 4.238 25.321 1.00 0.05 H HETATM 1705 H ACE A 102 15.414 4.587 25.145 1.00 0.05 H HETATM 1706 H ACE A 102 15.896 2.431 24.350 1.00 0.03 H HETATM 1707 H ACE A 102 14.495 2.044 25.406 1.00 0.03 H HETATM 1708 H ACE A 102 14.446 1.302 22.857 1.00 0.03 H HETATM 1709 H ACE A 102 12.977 2.035 23.586 1.00 0.03 H HETATM 1710 H ACE A 102 15.058 3.316 21.749 1.00 0.08 H HETATM 1711 CB ACE A 102 15.957 7.283 24.070 1.00 -0.00 C HETATM 1712 CG1 ACE A 102 16.075 8.602 24.846 1.00 -0.05 C HETATM 1713 CD1 ACE A 102 15.677 9.841 24.041 1.00 -0.06 C HETATM 1714 H ACE A 102 15.790 10.738 24.668 1.00 0.02 H HETATM 1715 H ACE A 102 14.629 9.748 23.720 1.00 0.02 H HETATM 1716 H ACE A 102 16.326 9.928 23.157 1.00 0.02 H HETATM 1717 H ACE A 102 17.120 8.721 25.168 1.00 0.03 H HETATM 1718 H ACE A 102 15.424 8.541 25.730 1.00 0.03 H HETATM 1719 CG2 ACE A 102 16.814 7.314 22.808 1.00 -0.06 C HETATM 1720 H ACE A 102 16.712 6.359 22.272 1.00 0.02 H HETATM 1721 H ACE A 102 17.868 7.468 23.084 1.00 0.02 H HETATM 1722 H ACE A 102 16.481 8.137 22.159 1.00 0.02 H HETATM 1723 H ACE A 102 16.326 6.471 24.714 1.00 0.03 H HETATM 1724 H ACE A 102 14.119 7.857 23.144 1.00 0.08 H HETATM 1725 H ACE A 102 14.045 6.998 25.822 1.00 0.19 H HETATM 1726 CB ACE A 102 10.058 7.321 25.815 1.00 0.08 C HETATM 1727 CG ACE A 102 9.201 7.413 27.064 1.00 0.18 C HETATM 1728 OD1 ACE A 102 9.385 6.659 28.018 1.00 -0.40 O HETATM 1729 ND2 ACE A 102 8.263 8.352 27.066 1.00 -0.30 N HETATM 1730 H ACE A 102 7.667 8.461 27.861 1.00 0.18 H HETATM 1731 H ACE A 102 8.153 8.950 26.272 1.00 0.18 H HETATM 1732 H ACE A 102 9.618 6.572 25.141 1.00 0.06 H HETATM 1733 H ACE A 102 10.063 8.303 25.319 1.00 0.06 H HETATM 1734 H ACE A 102 11.494 5.913 26.567 1.00 0.08 H HETATM 1735 H ACE A 102 12.320 7.489 28.015 1.00 0.19 H HETATM 1736 CB ACE A 102 11.923 10.354 28.919 1.00 -0.01 C HETATM 1737 CG ACE A 102 11.593 9.292 29.955 1.00 -0.04 C HETATM 1738 CD ACE A 102 10.740 9.861 31.078 1.00 -0.01 C HETATM 1739 CE ACE A 102 9.933 8.772 31.765 1.00 -0.04 C HETATM 1740 NZ ACE A 102 9.042 9.325 32.823 1.00 0.22 N HETATM 1741 H ACE A 102 8.525 8.574 33.254 1.00 0.20 H HETATM 1742 H ACE A 102 8.399 9.982 32.411 1.00 0.20 H HETATM 1743 H ACE A 102 9.599 9.793 33.521 1.00 0.20 H HETATM 1744 H ACE A 102 10.626 8.052 32.224 1.00 0.08 H HETATM 1745 H ACE A 102 9.316 8.258 31.013 1.00 0.08 H HETATM 1746 H ACE A 102 10.050 10.609 30.660 1.00 0.03 H HETATM 1747 H ACE A 102 11.396 10.341 31.818 1.00 0.03 H HETATM 1748 H ACE A 102 12.530 8.902 30.379 1.00 0.03 H HETATM 1749 H ACE A 102 11.043 8.474 29.467 1.00 0.03 H HETATM 1750 H ACE A 102 11.004 10.592 28.364 1.00 0.03 H HETATM 1751 H ACE A 102 12.276 11.253 29.446 1.00 0.03 H HETATM 1752 H ACE A 102 13.739 9.315 28.437 1.00 0.08 H HETATM 1753 H ACE A 102 13.194 11.694 26.724 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1435 1436 1437 1441 CONECT 1436 1435 CONECT 1437 1435 1438 1439 1440 CONECT 1438 1437 CONECT 1439 1437 CONECT 1440 1437 CONECT 1441 1435 1442 1753 CONECT 1442 1441 1443 1736 1752 CONECT 1443 1442 1444 1445 CONECT 1444 1443 CONECT 1445 1443 1446 1735 CONECT 1446 1445 1447 1726 1734 CONECT 1447 1446 1448 1449 CONECT 1448 1447 CONECT 1449 1447 1450 1725 CONECT 1450 1449 1451 1711 1724 CONECT 1451 1450 1452 1453 CONECT 1452 1451 CONECT 1453 1451 1454 1703 CONECT 1454 1453 1455 1701 1710 CONECT 1455 1454 1456 1457 CONECT 1456 1455 CONECT 1457 1455 1458 1700 CONECT 1458 1457 1459 1694 1699 CONECT 1459 1458 1460 1461 CONECT 1460 1459 CONECT 1461 1459 1462 1693 CONECT 1462 1461 1463 1679 1692 CONECT 1463 1462 1464 1465 CONECT 1464 1463 CONECT 1465 1463 1466 1678 CONECT 1466 1465 1467 1664 1677 CONECT 1467 1466 1468 1469 CONECT 1468 1467 CONECT 1469 1467 1470 1663 CONECT 1470 1469 1471 1644 1662 CONECT 1471 1470 1472 1473 CONECT 1472 1471 CONECT 1473 1471 1474 1643 CONECT 1474 1473 1475 1593 1642 CONECT 1475 1474 1476 1477 CONECT 1476 1475 CONECT 1477 1475 1478 1641 CONECT 1478 1477 1479 1629 1640 CONECT 1479 1478 1480 1481 CONECT 1480 1479 CONECT 1481 1479 1482 1628 CONECT 1482 1481 1483 1623 1627 CONECT 1483 1482 1484 1485 CONECT 1484 1483 CONECT 1485 1483 1486 1622 CONECT 1486 1485 1487 1610 1621 CONECT 1487 1486 1488 1489 CONECT 1488 1487 CONECT 1489 1487 1490 1609 CONECT 1490 1489 1491 1586 1608 CONECT 1491 1490 1492 1493 CONECT 1492 1491 CONECT 1493 1491 1494 1585 CONECT 1494 1493 1495 1566 1584 CONECT 1495 1494 1496 1497 CONECT 1496 1495 CONECT 1497 1495 1498 1565 CONECT 1498 1497 1499 1548 1564 CONECT 1499 1498 1500 1501 CONECT 1500 1499 CONECT 1501 1499 1502 1547 CONECT 1502 1501 1503 1539 1546 CONECT 1503 1502 1504 1505 CONECT 1504 1503 CONECT 1505 1503 1506 1538 CONECT 1506 1505 1507 1526 1537 CONECT 1507 1506 1508 1509 CONECT 1508 1507 CONECT 1509 1507 1510 1525 CONECT 1510 1509 1511 1514 1524 CONECT 1511 1510 1512 1513 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1510 1515 1519 1523 CONECT 1515 1514 1516 1517 1518 CONECT 1516 1515 CONECT 1517 1515 CONECT 1518 1515 CONECT 1519 1514 1520 1521 1522 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1519 CONECT 1523 1514 CONECT 1524 1510 CONECT 1525 1509 CONECT 1526 1506 1527 1535 1536 CONECT 1527 1526 1528 1533 1534 CONECT 1528 1527 1529 CONECT 1529 1528 1530 1531 1532 CONECT 1530 1529 CONECT 1531 1529 CONECT 1532 1529 CONECT 1533 1527 CONECT 1534 1527 CONECT 1535 1526 CONECT 1536 1526 CONECT 1537 1506 CONECT 1538 1505 CONECT 1539 1502 1540 1544 1545 CONECT 1540 1539 1541 1542 1543 CONECT 1541 1540 CONECT 1542 1540 CONECT 1543 1540 CONECT 1544 1539 CONECT 1545 1539 CONECT 1546 1502 CONECT 1547 1501 CONECT 1548 1498 1549 1562 1563 CONECT 1549 1548 1550 1560 1561 CONECT 1550 1549 1551 1558 1559 CONECT 1551 1550 1552 1556 1557 CONECT 1552 1551 1553 1554 1555 CONECT 1553 1552 CONECT 1554 1552 CONECT 1555 1552 CONECT 1556 1551 CONECT 1557 1551 CONECT 1558 1550 CONECT 1559 1550 CONECT 1560 1549 CONECT 1561 1549 CONECT 1562 1548 CONECT 1563 1548 CONECT 1564 1498 CONECT 1565 1497 CONECT 1566 1494 1567 1582 1583 CONECT 1567 1566 1568 1580 1581 CONECT 1568 1567 1569 1578 1579 CONECT 1569 1568 1570 1577 CONECT 1570 1569 1571 1574 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 CONECT 1574 1570 1575 1576 CONECT 1575 1574 CONECT 1576 1574 CONECT 1577 1569 CONECT 1578 1568 CONECT 1579 1568 CONECT 1580 1567 CONECT 1581 1567 CONECT 1582 1566 CONECT 1583 1566 CONECT 1584 1494 CONECT 1585 1493 CONECT 1586 1490 1587 1606 1607 CONECT 1587 1586 1588 1604 1605 CONECT 1588 1587 1589 1602 1603 CONECT 1589 1588 1590 1601 CONECT 1590 1589 1591 1600 CONECT 1591 1590 1592 1598 1599 CONECT 1592 1591 1593 1596 1597 CONECT 1593 1474 1592 1594 1595 CONECT 1594 1593 CONECT 1595 1593 CONECT 1596 1592 CONECT 1597 1592 CONECT 1598 1591 CONECT 1599 1591 CONECT 1600 1590 CONECT 1601 1589 CONECT 1602 1588 CONECT 1603 1588 CONECT 1604 1587 CONECT 1605 1587 CONECT 1606 1586 CONECT 1607 1586 CONECT 1608 1490 CONECT 1609 1489 CONECT 1610 1486 1611 1619 1620 CONECT 1611 1610 1612 1615 CONECT 1612 1611 1613 CONECT 1613 1612 1614 1618 CONECT 1614 1613 1615 1617 CONECT 1615 1611 1614 1616 CONECT 1616 1615 CONECT 1617 1614 CONECT 1618 1613 CONECT 1619 1610 CONECT 1620 1610 CONECT 1621 1486 CONECT 1622 1485 CONECT 1623 1482 1624 1625 1626 CONECT 1624 1623 CONECT 1625 1623 CONECT 1626 1623 CONECT 1627 1482 CONECT 1628 1481 CONECT 1629 1478 1630 1638 1639 CONECT 1630 1629 1631 1636 1637 CONECT 1631 1630 1632 1633 CONECT 1632 1631 CONECT 1633 1631 1634 1635 CONECT 1634 1633 CONECT 1635 1633 CONECT 1636 1630 CONECT 1637 1630 CONECT 1638 1629 CONECT 1639 1629 CONECT 1640 1478 CONECT 1641 1477 CONECT 1642 1474 CONECT 1643 1473 CONECT 1644 1470 1645 1660 1661 CONECT 1645 1644 1646 1658 1659 CONECT 1646 1645 1647 1656 1657 CONECT 1647 1646 1648 1655 CONECT 1648 1647 1649 1652 CONECT 1649 1648 1650 1651 CONECT 1650 1649 CONECT 1651 1649 CONECT 1652 1648 1653 1654 CONECT 1653 1652 CONECT 1654 1652 CONECT 1655 1647 CONECT 1656 1646 CONECT 1657 1646 CONECT 1658 1645 CONECT 1659 1645 CONECT 1660 1644 CONECT 1661 1644 CONECT 1662 1470 CONECT 1663 1469 CONECT 1664 1466 1665 1675 1676 CONECT 1665 1664 1666 1670 1674 CONECT 1666 1665 1667 1668 1669 CONECT 1667 1666 CONECT 1668 1666 CONECT 1669 1666 CONECT 1670 1665 1671 1672 1673 CONECT 1671 1670 CONECT 1672 1670 CONECT 1673 1670 CONECT 1674 1665 CONECT 1675 1664 CONECT 1676 1664 CONECT 1677 1466 CONECT 1678 1465 CONECT 1679 1462 1680 1690 1691 CONECT 1680 1679 1681 1685 1689 CONECT 1681 1680 1682 1683 1684 CONECT 1682 1681 CONECT 1683 1681 CONECT 1684 1681 CONECT 1685 1680 1686 1687 1688 CONECT 1686 1685 CONECT 1687 1685 CONECT 1688 1685 CONECT 1689 1680 CONECT 1690 1679 CONECT 1691 1679 CONECT 1692 1462 CONECT 1693 1461 CONECT 1694 1458 1695 1697 1698 CONECT 1695 1694 1696 CONECT 1696 1695 CONECT 1697 1694 CONECT 1698 1694 CONECT 1699 1458 CONECT 1700 1457 CONECT 1701 1454 1702 1708 1709 CONECT 1702 1701 1703 1706 1707 CONECT 1703 1453 1702 1704 1705 CONECT 1704 1703 CONECT 1705 1703 CONECT 1706 1702 CONECT 1707 1702 CONECT 1708 1701 CONECT 1709 1701 CONECT 1710 1454 CONECT 1711 1450 1712 1719 1723 CONECT 1712 1711 1713 1717 1718 CONECT 1713 1712 1714 1715 1716 CONECT 1714 1713 CONECT 1715 1713 CONECT 1716 1713 CONECT 1717 1712 CONECT 1718 1712 CONECT 1719 1711 1720 1721 1722 CONECT 1720 1719 CONECT 1721 1719 CONECT 1722 1719 CONECT 1723 1711 CONECT 1724 1450 CONECT 1725 1449 CONECT 1726 1446 1727 1732 1733 CONECT 1727 1726 1728 1729 CONECT 1728 1727 CONECT 1729 1727 1730 1731 CONECT 1730 1729 CONECT 1731 1729 CONECT 1732 1726 CONECT 1733 1726 CONECT 1734 1446 CONECT 1735 1445 CONECT 1736 1442 1737 1750 1751 CONECT 1737 1736 1738 1748 1749 CONECT 1738 1737 1739 1746 1747 CONECT 1739 1738 1740 1744 1745 CONECT 1740 1739 1741 1742 1743 CONECT 1741 1740 CONECT 1742 1740 CONECT 1743 1740 CONECT 1744 1739 CONECT 1745 1739 CONECT 1746 1738 CONECT 1747 1738 CONECT 1748 1737 CONECT 1749 1737 CONECT 1750 1736 CONECT 1751 1736 CONECT 1752 1442 CONECT 1753 1441 MASTER 0 0 0 0 0 0 0 0 1752 1 323 11 END
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6mil
RCSB PDB
PDBbind
19-mer
6r8i
RCSB PDB
PDBbind
19-mer
6oie
RCSB PDB
PDBbind
19-mer
6h8c
RCSB PDB
PDBbind
19-mer
5v5o
RCSB PDB
PDBbind
19-mer
5j7j
RCSB PDB
PDBbind
19-mer
Entry Information
PDB ID
4mzk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Myosin A tail domain interacting protein, MTIP from Plasmodium falciparum
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
IC50=4.9uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 8: pp. 506-512
Ligand Properties
Formula
C
9
6
H
1
7
0
N
3
0
O
2
3
S
Molecular Weight
2144.630
Exact Mass
2143.280
No. of atoms
320
No. of bonds
322
Polar Surface Area
900
LOGP Value
-0.54 (
Computed with XLOGP3
)
-1.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 24
No. of Rotatable Bonds: 76
No. of Nitrogen and Oxygen Atoms: 53
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCSC)CC)NC(=O)[C@@H](NC(=O)[C@@H]1CCC/C=C\CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCCC[NH3+])CC(=O)N)CO)CC(C)C)CC(C)C)CCC[NH+]=C(N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1nc[nH]c1)C)CCC(=O)N)CCC[NH+]=C(N)N
InChI String
InChI=1S/C96H166N30O23S/c1-13-54(9)76(125-90(144)70(47-74(100)130)122-80(134)59(110-56(11)128)30-21-23-38-97)93(147)126-42-27-34-72(126)92(146)123-71(49-127)91(145)121-68(45-52(5)6)88(142)120-67(44-51(3)4)87(141)116-64(33-26-41-107-96(103)104)85(139)112-60-28-19-17-15-16-18-20-29-61(115-89(143)69(46-57-48-105-50-108-57)119-77(131)55(10)109-79(133)65(117-83(60)137)35-36-73(99)129)82(136)114-63(32-25-40-106-95(101)102)84(138)113-62(31-22-24-39-98)81(135)111-58(14-2)78(132)118-66(37-43-150-12)86(140)124-75(53(7)8)94(148)149/h15-16,48,50-55,58-72,75-76,127H,13-14,17-47,49,97-98H2,1-12H3,(H2,99,129)(H2,100,130)(H,105,108)(H,109,133)(H,110,128)(H,111,135)(H,112,139)(H,113,138)(H,114,136)(H,115,143)(H,116,141)(H,117,137)(H,118,132)(H,119,131)(H,120,142)(H,121,145)(H,122,134)(H,123,146)(H,124,140)(H,125,144)(H,148,149)(H4,101,102,106)(H4,103,104,107)/p+4/b16-15-/t54-,55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-,76-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8IDR3
Q8I4W8
Entrez Gene ID
NCBI Entrez Gene ID:
814200
811497
ASD
Information of known allosteric effects of PDB entries
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