Browse entries in the PDBbind-CN Database
HEADER 6MDU_COMPLEX COMPND 6MDU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 229 GLY ASP GLN ARG PHE GLY ASP LEU VAL PHE ARG GLN LEU SEQRES 2 A 229 ALA PRO ASN VAL TRP GLN HIS THR SER TYR LEU ASP MET SEQRES 3 A 229 PRO GLY PHE GLY ALA VAL ALA SER ASN GLY LEU ILE VAL SEQRES 4 A 229 ARG ASP GLY GLY ARG VAL LEU VAL VAL ASP THR ALA TRP SEQRES 5 A 229 THR ASP ASP GLN THR ALA GLN ILE LEU ASN TRP ILE LYS SEQRES 6 A 229 GLN GLU ILE ASN LEU PRO VAL ALA LEU ALA VAL VAL THR SEQRES 7 A 229 HIS ALA HIS GLN ASP LYS MET GLY GLY MET ASP ALA LEU SEQRES 8 A 229 HIS ALA ALA GLY ILE ALA THR TYR ALA ASN ALA LEU SER SEQRES 9 A 229 ASN GLN LEU ALA PRO GLN GLU GLY MET VAL ALA ALA GLN SEQRES 10 A 229 HIS SER LEU THR PHE ALA ALA ASN GLY TRP VAL GLU PRO SEQRES 11 A 229 ALA THR ALA PRO ASN PHE GLY PRO LEU LYS VAL PHE TYR SEQRES 12 A 229 PRO GLY PRO GLY HIS THR SER ASP ASN ILE THR VAL GLY SEQRES 13 A 229 ILE ASP GLY THR ASP ILE ALA PHE GLY GLY CYS LEU ILE SEQRES 14 A 229 LYS ASP SER LYS ALA LYS SER LEU GLY ASN LEU GLY ASP SEQRES 15 A 229 ALA ASP THR GLU HIS TYR ALA ALA SER ALA ARG ALA PHE SEQRES 16 A 229 GLY ALA ALA PHE PRO LYS ALA SER MET ILE VAL MET SER SEQRES 17 A 229 HIS SER ALA PRO ASP SER ARG ALA ALA ILE THR HIS THR SEQRES 18 A 229 ALA ARG MET ALA ASP LYS LEU ARG HET ZN A 1 1 HET ZN A 2 1 HET N A 1G 38 ATOM 1 N GLY A 42 8.318 2.714 27.904 1.00 22.44 N ATOM 2 CA GLY A 42 9.495 1.917 28.199 1.00 22.23 C ATOM 3 C GLY A 42 10.702 2.294 27.360 1.00 21.46 C ATOM 4 O GLY A 42 11.542 1.451 27.042 1.00 22.93 O ATOM 5 HN3 GLY A 42 8.057 2.588 26.905 1.00 0.00 H ATOM 6 HN2 GLY A 42 8.525 3.717 28.086 1.00 0.00 H ATOM 7 HN1 GLY A 42 7.531 2.406 28.510 1.00 0.00 H ATOM 8 N ASP A 43 10.795 3.569 26.999 1.00 19.47 N ATOM 9 CA ASP A 43 11.914 4.026 26.189 1.00 18.46 C ATOM 10 C ASP A 43 13.207 3.962 27.001 1.00 16.73 C ATOM 11 O ASP A 43 13.250 4.386 28.161 1.00 18.93 O ATOM 12 CB ASP A 43 11.650 5.444 25.685 1.00 19.83 C ATOM 13 CG ASP A 43 10.652 5.477 24.531 1.00 21.29 C ATOM 14 OD1 ASP A 43 10.548 4.472 23.799 1.00 21.26 O ATOM 15 OD2 ASP A 43 9.967 6.506 24.358 1.00 23.20 O ATOM 16 H ASP A 43 10.063 4.245 27.297 1.00 0.00 H ATOM 17 N GLN A 44 14.245 3.378 26.405 1.00 12.89 N ATOM 18 CA GLN A 44 15.572 3.282 27.003 1.00 11.44 C ATOM 19 C GLN A 44 16.493 4.182 26.191 1.00 10.21 C ATOM 20 O GLN A 44 16.746 3.912 25.017 1.00 10.63 O ATOM 21 CB GLN A 44 16.078 1.840 26.986 1.00 12.92 C ATOM 22 CG GLN A 44 15.189 0.856 27.735 1.00 14.12 C ATOM 23 CD GLN A 44 15.658 -0.584 27.618 1.00 14.63 C ATOM 24 OE1 GLN A 44 16.814 -0.901 27.919 1.00 15.41 O ATOM 25 NE2 GLN A 44 14.758 -1.468 27.196 1.00 14.90 N ATOM 26 HE22 GLN A 44 13.796 -1.156 26.954 1.00 0.00 H ATOM 27 HE21 GLN A 44 15.016 -2.472 27.108 1.00 0.00 H ATOM 28 H GLN A 44 14.101 2.967 25.460 1.00 0.00 H ATOM 29 N ARG A 45 17.001 5.235 26.817 1.00 9.40 N ATOM 30 CA ARG A 45 17.888 6.173 26.151 1.00 9.62 C ATOM 31 C ARG A 45 19.317 5.668 26.260 1.00 9.98 C ATOM 32 O ARG A 45 19.752 5.218 27.321 1.00 11.80 O ATOM 33 CB ARG A 45 17.773 7.545 26.812 1.00 10.27 C ATOM 34 CG ARG A 45 16.377 8.112 26.728 1.00 11.49 C ATOM 35 CD ARG A 45 16.319 9.515 27.308 1.00 11.98 C ATOM 36 NE ARG A 45 16.636 9.528 28.735 1.00 12.42 N ATOM 37 CZ ARG A 45 15.726 9.401 29.694 1.00 13.81 C ATOM 38 NH1 ARG A 45 16.092 9.418 30.964 1.00 14.33 N ATOM 39 NH2 ARG A 45 14.444 9.276 29.382 1.00 15.53 N ATOM 40 HE ARG A 45 17.631 9.643 29.015 1.00 0.00 H ATOM 41 HH12 ARG A 45 15.377 9.318 31.713 1.00 0.00 H ATOM 42 HH11 ARG A 45 17.095 9.531 31.215 1.00 0.00 H ATOM 43 HH22 ARG A 45 13.733 9.177 30.134 1.00 0.00 H ATOM 44 HH21 ARG A 45 14.149 9.277 28.385 1.00 0.00 H ATOM 45 H ARG A 45 16.757 5.394 27.815 1.00 0.00 H ATOM 46 N PHE A 46 20.047 5.725 25.155 1.00 8.92 N ATOM 47 CA PHE A 46 21.423 5.235 25.141 1.00 9.18 C ATOM 48 C PHE A 46 22.171 6.195 24.233 1.00 11.46 C ATOM 49 O PHE A 46 22.026 6.124 23.011 1.00 12.19 O ATOM 50 CB PHE A 46 21.478 3.799 24.638 1.00 10.01 C ATOM 51 CG PHE A 46 22.860 3.199 24.624 1.00 10.67 C ATOM 52 CD1 PHE A 46 23.583 3.136 23.445 1.00 11.21 C ATOM 53 CD2 PHE A 46 23.415 2.662 25.772 1.00 12.28 C ATOM 54 CE1 PHE A 46 24.844 2.577 23.413 1.00 12.64 C ATOM 55 CE2 PHE A 46 24.682 2.092 25.751 1.00 13.40 C ATOM 56 CZ PHE A 46 25.395 2.045 24.566 1.00 13.25 C ATOM 57 H PHE A 46 19.635 6.124 24.287 1.00 0.00 H ATOM 58 N GLY A 47 22.931 7.105 24.841 1.00 13.45 N ATOM 59 CA GLY A 47 23.490 8.209 24.090 1.00 14.20 C ATOM 60 C GLY A 47 22.361 8.965 23.433 1.00 14.28 C ATOM 61 O GLY A 47 21.366 9.328 24.074 1.00 15.11 O ATOM 62 H GLY A 47 23.123 7.022 25.860 1.00 0.00 H ATOM 63 N ASP A 48 22.488 9.161 22.126 1.00 12.35 N ATOM 64 CA ASP A 48 21.514 9.914 21.358 1.00 11.07 C ATOM 65 C ASP A 48 20.469 9.029 20.697 1.00 9.00 C ATOM 66 O ASP A 48 19.676 9.528 19.894 1.00 9.57 O ATOM 67 CB ASP A 48 22.222 10.760 20.307 1.00 12.36 C ATOM 68 CG ASP A 48 21.384 11.935 19.859 1.00 14.04 C ATOM 69 OD1 ASP A 48 20.716 12.563 20.711 1.00 16.51 O ATOM 70 OD2 ASP A 48 21.381 12.216 18.648 1.00 15.40 O ATOM 71 H ASP A 48 23.314 8.761 21.636 1.00 0.00 H ATOM 72 N LEU A 49 20.435 7.742 21.029 1.00 7.27 N ATOM 73 CA LEU A 49 19.481 6.811 20.451 1.00 8.89 C ATOM 74 C LEU A 49 18.468 6.384 21.506 1.00 7.67 C ATOM 75 O LEU A 49 18.664 6.577 22.709 1.00 7.89 O ATOM 76 CB LEU A 49 20.203 5.595 19.858 1.00 12.32 C ATOM 77 CG LEU A 49 20.812 5.902 18.475 1.00 14.66 C ATOM 78 CD1 LEU A 49 22.189 6.580 18.556 1.00 15.52 C ATOM 79 CD2 LEU A 49 20.891 4.655 17.621 1.00 15.16 C ATOM 80 H LEU A 49 21.118 7.388 21.729 1.00 0.00 H ATOM 81 N VAL A 50 17.355 5.826 21.047 1.00 7.32 N ATOM 82 CA VAL A 50 16.301 5.337 21.926 1.00 7.84 C ATOM 83 C VAL A 50 15.955 3.915 21.508 1.00 6.98 C ATOM 84 O VAL A 50 15.837 3.621 20.310 1.00 7.88 O ATOM 85 CB VAL A 50 15.048 6.242 21.901 1.00 8.74 C ATOM 86 CG1 VAL A 50 13.976 5.696 22.839 1.00 10.00 C ATOM 87 CG2 VAL A 50 15.406 7.668 22.299 1.00 9.76 C ATOM 88 H VAL A 50 17.230 5.734 20.019 1.00 0.00 H ATOM 89 N PHE A 51 15.805 3.036 22.498 1.00 7.04 N ATOM 90 CA PHE A 51 15.450 1.642 22.282 1.00 7.84 C ATOM 91 C PHE A 51 14.175 1.358 23.052 1.00 8.47 C ATOM 92 O PHE A 51 14.070 1.706 24.232 1.00 10.10 O ATOM 93 CB PHE A 51 16.586 0.716 22.736 1.00 8.19 C ATOM 94 CG PHE A 51 17.857 0.973 21.996 1.00 9.06 C ATOM 95 CD1 PHE A 51 18.775 1.916 22.443 1.00 10.65 C ATOM 96 CD2 PHE A 51 18.103 0.333 20.804 1.00 9.23 C ATOM 97 CE1 PHE A 51 19.925 2.180 21.730 1.00 11.44 C ATOM 98 CE2 PHE A 51 19.251 0.586 20.094 1.00 9.69 C ATOM 99 CZ PHE A 51 20.164 1.513 20.552 1.00 10.42 C ATOM 100 H PHE A 51 15.949 3.363 23.475 1.00 0.00 H ATOM 101 N ARG A 52 13.206 0.729 22.393 1.00 7.47 N ATOM 102 CA ARG A 52 11.943 0.387 23.033 1.00 8.13 C ATOM 103 C ARG A 52 11.661 -1.092 22.817 1.00 7.00 C ATOM 104 O ARG A 52 11.550 -1.550 21.674 1.00 7.45 O ATOM 105 CB ARG A 52 10.791 1.216 22.476 1.00 9.13 C ATOM 106 CG ARG A 52 9.472 0.887 23.141 1.00 11.34 C ATOM 107 CD ARG A 52 8.314 1.636 22.511 1.00 13.39 C ATOM 108 NE ARG A 52 8.366 3.061 22.813 1.00 15.10 N ATOM 109 CZ ARG A 52 7.416 3.929 22.485 1.00 16.61 C ATOM 110 NH1 ARG A 52 6.328 3.515 21.848 1.00 17.03 N ATOM 111 NH2 ARG A 52 7.553 5.210 22.800 1.00 17.19 N ATOM 112 HE ARG A 52 9.201 3.421 23.318 1.00 0.00 H ATOM 113 HH12 ARG A 52 5.585 4.196 21.592 1.00 0.00 H ATOM 114 HH11 ARG A 52 6.219 2.510 21.605 1.00 0.00 H ATOM 115 HH22 ARG A 52 6.810 5.891 22.544 1.00 0.00 H ATOM 116 HH21 ARG A 52 8.404 5.534 23.303 1.00 0.00 H ATOM 117 H ARG A 52 13.354 0.475 21.395 1.00 0.00 H ATOM 118 N GLN A 53 11.508 -1.830 23.910 1.00 7.89 N ATOM 119 CA GLN A 53 11.163 -3.235 23.780 1.00 8.82 C ATOM 120 C GLN A 53 9.712 -3.367 23.327 1.00 9.09 C ATOM 121 O GLN A 53 8.807 -2.760 23.911 1.00 11.06 O ATOM 122 CB GLN A 53 11.397 -3.958 25.106 1.00 9.96 C ATOM 123 CG GLN A 53 11.299 -5.481 24.995 1.00 10.73 C ATOM 124 CD GLN A 53 12.039 -6.234 26.104 1.00 11.55 C ATOM 125 OE1 GLN A 53 12.290 -5.694 27.182 1.00 12.63 O ATOM 126 NE2 GLN A 53 12.388 -7.483 25.835 1.00 12.70 N ATOM 127 HE22 GLN A 53 12.156 -7.900 24.911 1.00 0.00 H ATOM 128 HE21 GLN A 53 12.894 -8.047 26.548 1.00 0.00 H ATOM 129 H GLN A 53 11.634 -1.406 24.851 1.00 0.00 H ATOM 130 N LEU A 54 9.498 -4.150 22.262 1.00 9.10 N ATOM 131 CA LEU A 54 8.171 -4.405 21.716 1.00 9.11 C ATOM 132 C LEU A 54 7.670 -5.809 21.994 1.00 9.50 C ATOM 133 O LEU A 54 6.458 -6.035 21.963 1.00 10.96 O ATOM 134 CB LEU A 54 8.172 -4.210 20.193 1.00 9.76 C ATOM 135 CG LEU A 54 8.730 -2.880 19.708 1.00 10.71 C ATOM 136 CD1 LEU A 54 8.656 -2.814 18.199 1.00 11.57 C ATOM 137 CD2 LEU A 54 7.971 -1.723 20.351 1.00 11.50 C ATOM 138 H LEU A 54 10.317 -4.597 21.803 1.00 0.00 H ATOM 139 N ALA A 55 8.577 -6.747 22.226 1.00 9.14 N ATOM 140 CA ALA A 55 8.264 -8.136 22.526 1.00 10.34 C ATOM 141 C ALA A 55 9.448 -8.685 23.301 1.00 9.89 C ATOM 142 O ALA A 55 10.493 -8.028 23.381 1.00 9.16 O ATOM 143 CB ALA A 55 8.026 -8.936 21.231 1.00 11.42 C ATOM 144 H ALA A 55 9.579 -6.472 22.191 1.00 0.00 H ATOM 145 N PRO A 56 9.326 -9.878 23.893 1.00 10.68 N ATOM 146 CA PRO A 56 10.461 -10.402 24.672 1.00 11.10 C ATOM 147 C PRO A 56 11.772 -10.429 23.912 1.00 9.36 C ATOM 148 O PRO A 56 12.838 -10.282 24.528 1.00 9.98 O ATOM 149 CB PRO A 56 9.984 -11.799 25.088 1.00 12.64 C ATOM 150 CG PRO A 56 8.511 -11.614 25.235 1.00 13.06 C ATOM 151 CD PRO A 56 8.119 -10.702 24.091 1.00 12.11 C ATOM 152 N ASN A 57 11.735 -10.582 22.586 1.00 9.80 N ATOM 153 CA ASN A 57 12.956 -10.654 21.792 1.00 9.49 C ATOM 154 C ASN A 57 12.987 -9.633 20.659 1.00 8.07 C ATOM 155 O ASN A 57 13.679 -9.855 19.660 1.00 7.89 O ATOM 156 CB ASN A 57 13.135 -12.060 21.221 1.00 10.92 C ATOM 157 CG ASN A 57 12.056 -12.410 20.228 1.00 11.98 C ATOM 158 OD1 ASN A 57 10.931 -11.917 20.333 1.00 12.35 O ATOM 159 ND2 ASN A 57 12.387 -13.248 19.250 1.00 13.13 N ATOM 160 HD22 ASN A 57 13.350 -13.638 19.203 1.00 0.00 H ATOM 161 HD21 ASN A 57 11.683 -13.513 18.532 1.00 0.00 H ATOM 162 H ASN A 57 10.814 -10.651 22.108 1.00 0.00 H ATOM 163 N VAL A 58 12.248 -8.530 20.771 1.00 7.67 N ATOM 164 CA VAL A 58 12.225 -7.507 19.723 1.00 7.27 C ATOM 165 C VAL A 58 12.287 -6.124 20.345 1.00 7.36 C ATOM 166 O VAL A 58 11.540 -5.830 21.286 1.00 8.14 O ATOM 167 CB VAL A 58 10.980 -7.613 18.818 1.00 7.87 C ATOM 168 CG1 VAL A 58 11.046 -6.569 17.701 1.00 8.54 C ATOM 169 CG2 VAL A 58 10.858 -8.993 18.208 1.00 9.28 C ATOM 170 H VAL A 58 11.672 -8.392 21.626 1.00 0.00 H ATOM 171 N TRP A 59 13.147 -5.260 19.782 1.00 7.62 N ATOM 172 CA TRP A 59 13.252 -3.861 20.175 1.00 7.22 C ATOM 173 C TRP A 59 13.205 -2.982 18.938 1.00 7.16 C ATOM 174 O TRP A 59 13.675 -3.364 17.860 1.00 8.09 O ATOM 175 CB TRP A 59 14.573 -3.566 20.894 1.00 7.45 C ATOM 176 CG TRP A 59 14.742 -4.371 22.134 1.00 7.58 C ATOM 177 CD1 TRP A 59 14.524 -3.966 23.422 1.00 8.22 C ATOM 178 CD2 TRP A 59 15.172 -5.736 22.209 1.00 8.49 C ATOM 179 NE1 TRP A 59 14.772 -5.004 24.292 1.00 8.29 N ATOM 180 CE2 TRP A 59 15.188 -6.094 23.572 1.00 8.51 C ATOM 181 CE3 TRP A 59 15.554 -6.688 21.255 1.00 9.10 C ATOM 182 CZ2 TRP A 59 15.554 -7.368 24.001 1.00 9.25 C ATOM 183 CZ3 TRP A 59 15.922 -7.951 21.688 1.00 9.58 C ATOM 184 CH2 TRP A 59 15.920 -8.278 23.048 1.00 9.82 C ATOM 185 HE1 TRP A 59 14.662 -4.967 25.325 1.00 0.00 H ATOM 186 H TRP A 59 13.771 -5.608 19.026 1.00 0.00 H ATOM 187 N GLN A 60 12.635 -1.793 19.108 1.00 6.86 N ATOM 188 CA GLN A 60 12.718 -0.743 18.107 1.00 6.73 C ATOM 189 C GLN A 60 13.930 0.125 18.417 1.00 6.55 C ATOM 190 O GLN A 60 14.105 0.564 19.560 1.00 7.37 O ATOM 191 CB GLN A 60 11.450 0.108 18.150 1.00 7.31 C ATOM 192 CG GLN A 60 11.414 1.199 17.108 1.00 7.75 C ATOM 193 CD GLN A 60 10.163 2.034 17.223 1.00 8.36 C ATOM 194 OE1 GLN A 60 9.240 1.920 16.412 1.00 9.37 O ATOM 195 NE2 GLN A 60 10.107 2.864 18.257 1.00 8.65 N ATOM 196 HE22 GLN A 60 10.909 2.928 18.916 1.00 0.00 H ATOM 197 HE21 GLN A 60 9.261 3.450 18.408 1.00 0.00 H ATOM 198 H GLN A 60 12.112 -1.608 19.988 1.00 0.00 H ATOM 199 N HIS A 61 14.767 0.365 17.410 1.00 6.58 N ATOM 200 CA HIS A 61 15.845 1.340 17.532 1.00 6.71 C ATOM 201 C HIS A 61 15.434 2.644 16.871 1.00 6.30 C ATOM 202 O HIS A 61 14.771 2.634 15.834 1.00 6.97 O ATOM 203 CB HIS A 61 17.217 0.838 17.026 1.00 6.36 C ATOM 204 CG HIS A 61 17.344 0.586 15.540 1.00 5.82 C ATOM 205 ND1 HIS A 61 17.490 1.595 14.608 1.00 6.34 N ATOM 206 CD2 HIS A 61 17.487 -0.580 14.855 1.00 6.50 C ATOM 207 CE1 HIS A 61 17.658 1.059 13.410 1.00 6.60 C ATOM 208 NE2 HIS A 61 17.659 -0.259 13.531 1.00 6.47 N ATOM 209 H HIS A 61 14.650 -0.154 16.517 1.00 0.00 H ATOM 210 N THR A 62 15.802 3.768 17.490 1.00 5.72 N ATOM 211 CA THR A 62 15.441 5.080 16.963 1.00 6.11 C ATOM 212 C THR A 62 16.640 6.016 16.999 1.00 6.45 C ATOM 213 O THR A 62 17.320 6.126 18.026 1.00 6.99 O ATOM 214 CB THR A 62 14.283 5.699 17.767 1.00 7.19 C ATOM 215 OG1 THR A 62 13.169 4.800 17.774 1.00 7.47 O ATOM 216 CG2 THR A 62 13.857 7.032 17.177 1.00 7.65 C ATOM 217 HG1 THR A 62 12.873 4.636 16.844 1.00 0.00 H ATOM 218 H THR A 62 16.358 3.707 18.367 1.00 0.00 H ATOM 219 N SER A 63 16.869 6.704 15.879 1.00 6.16 N ATOM 220 CA SER A 63 17.945 7.673 15.733 1.00 6.79 C ATOM 221 C SER A 63 17.394 8.939 15.086 1.00 6.37 C ATOM 222 O SER A 63 16.323 8.930 14.474 1.00 6.78 O ATOM 223 CB SER A 63 19.080 7.094 14.883 1.00 6.68 C ATOM 224 OG SER A 63 18.629 6.733 13.579 1.00 6.71 O ATOM 225 HG SER A 63 17.916 6.051 13.655 1.00 0.00 H ATOM 226 H SER A 63 16.244 6.539 15.065 1.00 0.00 H ATOM 227 N TYR A 64 18.149 10.040 15.214 1.00 6.73 N ATOM 228 CA TYR A 64 17.637 11.371 14.903 1.00 7.33 C ATOM 229 C TYR A 64 18.574 12.127 13.972 1.00 7.27 C ATOM 230 O TYR A 64 19.797 12.081 14.131 1.00 7.96 O ATOM 231 CB TYR A 64 17.404 12.194 16.193 1.00 8.14 C ATOM 232 CG TYR A 64 16.464 11.488 17.133 1.00 7.68 C ATOM 233 CD1 TYR A 64 16.933 10.531 18.025 1.00 7.97 C ATOM 234 CD2 TYR A 64 15.097 11.733 17.091 1.00 8.06 C ATOM 235 CE1 TYR A 64 16.072 9.849 18.857 1.00 7.90 C ATOM 236 CE2 TYR A 64 14.227 11.056 17.931 1.00 8.44 C ATOM 237 CZ TYR A 64 14.719 10.122 18.810 1.00 8.89 C ATOM 238 OH TYR A 64 13.854 9.450 19.634 1.00 9.63 O ATOM 239 HH TYR A 64 14.364 8.818 20.201 1.00 0.00 H ATOM 240 H TYR A 64 19.130 9.942 15.545 1.00 0.00 H ATOM 241 N LEU A 65 17.985 12.845 13.019 1.00 7.76 N ATOM 242 CA LEU A 65 18.709 13.755 12.147 1.00 8.56 C ATOM 243 C LEU A 65 17.994 15.100 12.155 1.00 8.96 C ATOM 244 O LEU A 65 16.764 15.158 12.091 1.00 11.43 O ATOM 245 CB LEU A 65 18.775 13.229 10.713 1.00 10.50 C ATOM 246 CG LEU A 65 19.934 13.792 9.889 1.00 12.75 C ATOM 247 CD1 LEU A 65 21.247 13.190 10.385 1.00 14.65 C ATOM 248 CD2 LEU A 65 19.740 13.497 8.411 1.00 13.17 C ATOM 249 H LEU A 65 16.957 12.750 12.892 1.00 0.00 H ATOM 250 N ASP A 66 18.766 16.189 12.218 1.00 8.58 N ATOM 251 CA ASP A 66 18.230 17.537 12.385 1.00 9.02 C ATOM 252 C ASP A 66 18.785 18.428 11.282 1.00 10.24 C ATOM 253 O ASP A 66 19.993 18.423 11.029 1.00 13.47 O ATOM 254 CB ASP A 66 18.653 18.072 13.755 1.00 10.13 C ATOM 255 CG ASP A 66 18.079 19.450 14.076 1.00 11.34 C ATOM 256 OD1 ASP A 66 17.123 19.922 13.397 1.00 11.38 O ATOM 257 OD2 ASP A 66 18.607 20.060 15.032 1.00 11.97 O ATOM 258 H ASP A 66 19.797 16.071 12.145 1.00 0.00 H ATOM 259 N MET A 67 17.911 19.157 10.605 1.00 9.61 N ATOM 260 CA MET A 67 18.288 20.089 9.553 1.00 9.82 C ATOM 261 C MET A 67 17.718 21.459 9.868 1.00 9.80 C ATOM 262 O MET A 67 16.736 21.578 10.615 1.00 9.95 O ATOM 263 CB MET A 67 17.739 19.605 8.203 1.00 11.20 C ATOM 264 CG MET A 67 18.374 18.311 7.730 1.00 13.30 C ATOM 265 SD MET A 67 20.114 18.549 7.291 1.00 13.70 S ATOM 266 CE MET A 67 20.816 17.049 7.965 1.00 15.20 C ATOM 267 H MET A 67 16.902 19.058 10.837 1.00 0.00 H ATOM 268 N PRO A 68 18.296 22.522 9.305 1.00 10.12 N ATOM 269 CA PRO A 68 17.727 23.854 9.518 1.00 10.33 C ATOM 270 C PRO A 68 16.389 23.989 8.816 1.00 10.93 C ATOM 271 O PRO A 68 16.164 23.423 7.741 1.00 11.59 O ATOM 272 CB PRO A 68 18.767 24.794 8.899 1.00 12.03 C ATOM 273 CG PRO A 68 19.479 23.965 7.915 1.00 13.65 C ATOM 274 CD PRO A 68 19.500 22.572 8.452 1.00 11.44 C ATOM 275 N GLY A 69 15.499 24.763 9.440 1.00 11.15 N ATOM 276 CA GLY A 69 14.173 25.007 8.918 1.00 11.97 C ATOM 277 C GLY A 69 13.170 23.916 9.202 1.00 12.98 C ATOM 278 O GLY A 69 11.997 24.065 8.839 1.00 15.08 O ATOM 279 H GLY A 69 15.770 25.209 10.339 1.00 0.00 H ATOM 280 N PHE A 70 13.594 22.825 9.837 1.00 12.27 N ATOM 281 CA PHE A 70 12.738 21.682 10.107 1.00 12.37 C ATOM 282 C PHE A 70 13.115 21.101 11.455 1.00 11.62 C ATOM 283 O PHE A 70 14.225 21.308 11.948 1.00 11.32 O ATOM 284 CB PHE A 70 12.905 20.604 9.031 1.00 14.02 C ATOM 285 CG PHE A 70 12.479 21.057 7.675 1.00 15.61 C ATOM 286 CD1 PHE A 70 13.389 21.629 6.797 1.00 16.40 C ATOM 287 CD2 PHE A 70 11.156 20.942 7.288 1.00 17.31 C ATOM 288 CE1 PHE A 70 12.985 22.063 5.552 1.00 17.91 C ATOM 289 CE2 PHE A 70 10.746 21.373 6.047 1.00 18.39 C ATOM 290 CZ PHE A 70 11.661 21.934 5.176 1.00 18.63 C ATOM 291 H PHE A 70 14.584 22.789 10.154 1.00 0.00 H ATOM 292 N GLY A 71 12.171 20.374 12.042 1.00 12.64 N ATOM 293 CA GLY A 71 12.436 19.678 13.278 1.00 12.68 C ATOM 294 C GLY A 71 13.333 18.475 13.070 1.00 12.81 C ATOM 295 O GLY A 71 13.628 18.052 11.948 1.00 14.00 O ATOM 296 H GLY A 71 11.229 20.306 11.606 1.00 0.00 H ATOM 297 N ALA A 72 13.767 17.914 14.198 1.00 12.68 N ATOM 298 CA ALA A 72 14.529 16.676 14.188 1.00 13.39 C ATOM 299 C ALA A 72 13.612 15.523 13.813 1.00 13.67 C ATOM 300 O ALA A 72 12.455 15.458 14.234 1.00 16.70 O ATOM 301 CB ALA A 72 15.151 16.439 15.564 1.00 13.71 C ATOM 302 H ALA A 72 13.556 18.373 15.107 1.00 0.00 H ATOM 303 N VAL A 73 14.122 14.624 12.987 1.00 11.18 N ATOM 304 CA VAL A 73 13.328 13.538 12.431 1.00 9.84 C ATOM 305 C VAL A 73 13.830 12.227 13.018 1.00 8.65 C ATOM 306 O VAL A 73 15.014 11.890 12.890 1.00 8.33 O ATOM 307 CB VAL A 73 13.378 13.538 10.895 1.00 10.69 C ATOM 308 CG1 VAL A 73 12.611 12.355 10.352 1.00 12.03 C ATOM 309 CG2 VAL A 73 12.779 14.830 10.350 1.00 11.80 C ATOM 310 H VAL A 73 15.126 14.696 12.726 1.00 0.00 H ATOM 311 N ALA A 74 12.934 11.510 13.690 1.00 8.26 N ATOM 312 CA ALA A 74 13.202 10.157 14.160 1.00 8.88 C ATOM 313 C ALA A 74 13.106 9.178 13.004 1.00 8.16 C ATOM 314 O ALA A 74 12.218 9.289 12.154 1.00 10.04 O ATOM 315 CB ALA A 74 12.166 9.760 15.210 1.00 9.34 C ATOM 316 H ALA A 74 12.004 11.932 13.888 1.00 0.00 H ATOM 317 N SER A 75 14.016 8.209 12.993 1.00 7.42 N ATOM 318 CA SER A 75 13.907 7.047 12.121 1.00 6.87 C ATOM 319 C SER A 75 14.019 5.779 12.956 1.00 6.37 C ATOM 320 O SER A 75 14.926 5.665 13.790 1.00 6.66 O ATOM 321 CB SER A 75 14.980 7.052 11.031 1.00 8.11 C ATOM 322 OG SER A 75 14.771 5.955 10.159 1.00 9.06 O ATOM 323 HG SER A 75 14.826 5.111 10.673 1.00 0.00 H ATOM 324 H SER A 75 14.835 8.283 13.630 1.00 0.00 H ATOM 325 N ASN A 76 13.108 4.832 12.718 1.00 6.03 N ATOM 326 CA ASN A 76 13.026 3.594 13.482 1.00 6.07 C ATOM 327 C ASN A 76 13.429 2.388 12.645 1.00 6.28 C ATOM 328 O ASN A 76 13.077 2.288 11.465 1.00 7.50 O ATOM 329 CB ASN A 76 11.596 3.332 13.937 1.00 7.63 C ATOM 330 CG ASN A 76 11.002 4.467 14.744 1.00 8.22 C ATOM 331 OD1 ASN A 76 11.662 5.091 15.575 1.00 8.18 O ATOM 332 ND2 ASN A 76 9.721 4.720 14.512 1.00 9.22 N ATOM 333 HD22 ASN A 76 9.202 4.167 13.800 1.00 0.00 H ATOM 334 HD21 ASN A 76 9.235 5.471 15.042 1.00 0.00 H ATOM 335 H ASN A 76 12.424 4.986 11.950 1.00 0.00 H ATOM 336 N GLY A 77 14.139 1.463 13.286 1.00 6.33 N ATOM 337 CA GLY A 77 14.386 0.127 12.771 1.00 6.17 C ATOM 338 C GLY A 77 14.133 -0.903 13.855 1.00 6.53 C ATOM 339 O GLY A 77 13.559 -0.572 14.902 1.00 6.39 O ATOM 340 H GLY A 77 14.542 1.711 14.212 1.00 0.00 H ATOM 341 N LEU A 78 14.582 -2.143 13.647 1.00 6.04 N ATOM 342 CA LEU A 78 14.313 -3.210 14.598 1.00 6.24 C ATOM 343 C LEU A 78 15.580 -3.967 14.956 1.00 6.05 C ATOM 344 O LEU A 78 16.542 -4.023 14.183 1.00 6.29 O ATOM 345 CB LEU A 78 13.287 -4.209 14.058 1.00 7.75 C ATOM 346 CG LEU A 78 11.846 -3.704 13.943 1.00 10.45 C ATOM 347 CD1 LEU A 78 10.991 -4.719 13.213 1.00 12.61 C ATOM 348 CD2 LEU A 78 11.237 -3.401 15.301 1.00 10.89 C ATOM 349 H LEU A 78 15.134 -2.350 12.790 1.00 0.00 H ATOM 350 N ILE A 79 15.547 -4.553 16.151 1.00 6.70 N ATOM 351 CA ILE A 79 16.548 -5.488 16.649 1.00 6.92 C ATOM 352 C ILE A 79 15.792 -6.718 17.132 1.00 7.18 C ATOM 353 O ILE A 79 14.816 -6.592 17.879 1.00 7.49 O ATOM 354 CB ILE A 79 17.346 -4.876 17.819 1.00 6.85 C ATOM 355 CG1 ILE A 79 17.998 -3.539 17.425 1.00 7.48 C ATOM 356 CG2 ILE A 79 18.370 -5.864 18.348 1.00 7.65 C ATOM 357 CD1 ILE A 79 18.623 -2.814 18.592 1.00 8.85 C ATOM 358 H ILE A 79 14.747 -4.327 16.776 1.00 0.00 H ATOM 359 N VAL A 80 16.229 -7.903 16.708 1.00 7.27 N ATOM 360 CA VAL A 80 15.554 -9.151 17.058 1.00 7.72 C ATOM 361 C VAL A 80 16.586 -10.105 17.636 1.00 7.96 C ATOM 362 O VAL A 80 17.596 -10.383 16.987 1.00 8.58 O ATOM 363 CB VAL A 80 14.881 -9.788 15.828 1.00 9.10 C ATOM 364 CG1 VAL A 80 14.217 -11.118 16.196 1.00 10.27 C ATOM 365 CG2 VAL A 80 13.893 -8.829 15.192 1.00 9.79 C ATOM 366 H VAL A 80 17.078 -7.941 16.109 1.00 0.00 H ATOM 367 N ARG A 81 16.345 -10.609 18.844 1.00 8.09 N ATOM 368 CA ARG A 81 17.152 -11.712 19.348 1.00 9.28 C ATOM 369 C ARG A 81 16.510 -13.014 18.889 1.00 9.36 C ATOM 370 O ARG A 81 15.356 -13.293 19.228 1.00 11.74 O ATOM 371 CB ARG A 81 17.303 -11.694 20.869 1.00 9.54 C ATOM 372 CG ARG A 81 18.241 -12.807 21.333 1.00 10.19 C ATOM 373 CD ARG A 81 18.338 -12.967 22.851 1.00 10.98 C ATOM 374 NE ARG A 81 17.057 -13.318 23.454 1.00 9.73 N ATOM 375 CZ ARG A 81 16.468 -14.505 23.342 1.00 9.77 C ATOM 376 NH1 ARG A 81 17.049 -15.490 22.665 1.00 10.36 N ATOM 377 NH2 ARG A 81 15.292 -14.715 23.918 1.00 10.29 N ATOM 378 HE ARG A 81 16.569 -12.588 24.011 1.00 0.00 H ATOM 379 HH12 ARG A 81 16.578 -16.414 22.585 1.00 0.00 H ATOM 380 HH11 ARG A 81 17.974 -15.337 22.216 1.00 0.00 H ATOM 381 HH22 ARG A 81 14.829 -15.642 23.832 1.00 0.00 H ATOM 382 HH21 ARG A 81 14.833 -13.952 24.456 1.00 0.00 H ATOM 383 H ARG A 81 15.580 -10.215 19.428 1.00 0.00 H ATOM 384 N ASP A 82 17.249 -13.795 18.105 1.00 9.67 N ATOM 385 CA ASP A 82 16.799 -15.089 17.601 1.00 10.25 C ATOM 386 C ASP A 82 17.713 -16.133 18.233 1.00 9.99 C ATOM 387 O ASP A 82 18.789 -16.425 17.710 1.00 10.20 O ATOM 388 CB ASP A 82 16.905 -15.118 16.076 1.00 10.71 C ATOM 389 CG ASP A 82 16.584 -16.477 15.493 1.00 12.02 C ATOM 390 OD1 ASP A 82 15.729 -17.172 16.071 1.00 12.93 O ATOM 391 OD2 ASP A 82 17.174 -16.841 14.453 1.00 12.33 O ATOM 392 H ASP A 82 18.198 -13.466 17.837 1.00 0.00 H ATOM 393 N GLY A 83 17.283 -16.681 19.368 1.00 9.94 N ATOM 394 CA GLY A 83 18.105 -17.647 20.077 1.00 10.44 C ATOM 395 C GLY A 83 19.427 -17.025 20.479 1.00 9.57 C ATOM 396 O GLY A 83 19.478 -16.021 21.197 1.00 10.31 O ATOM 397 H GLY A 83 16.353 -16.416 19.750 1.00 0.00 H ATOM 398 N GLY A 84 20.520 -17.626 20.023 1.00 9.13 N ATOM 399 CA GLY A 84 21.855 -17.181 20.365 1.00 9.20 C ATOM 400 C GLY A 84 22.476 -16.144 19.452 1.00 9.12 C ATOM 401 O GLY A 84 23.698 -15.983 19.467 1.00 9.67 O ATOM 402 H GLY A 84 20.413 -18.449 19.396 1.00 0.00 H ATOM 403 N ARG A 85 21.668 -15.424 18.674 1.00 9.23 N ATOM 404 CA ARG A 85 22.188 -14.411 17.766 1.00 9.23 C ATOM 405 C ARG A 85 21.190 -13.267 17.672 1.00 8.94 C ATOM 406 O ARG A 85 20.034 -13.385 18.083 1.00 8.69 O ATOM 407 CB ARG A 85 22.441 -14.999 16.380 1.00 9.18 C ATOM 408 CG ARG A 85 21.162 -15.306 15.648 1.00 9.59 C ATOM 409 CD ARG A 85 21.311 -16.407 14.610 1.00 11.59 C ATOM 410 NE ARG A 85 20.046 -16.495 13.903 1.00 11.95 N ATOM 411 CZ ARG A 85 19.902 -16.384 12.590 1.00 11.64 C ATOM 412 NH1 ARG A 85 20.960 -16.251 11.792 1.00 12.42 N ATOM 413 NH2 ARG A 85 18.686 -16.414 12.080 1.00 11.55 N ATOM 414 HE ARG A 85 19.189 -16.657 14.469 1.00 0.00 H ATOM 415 HH12 ARG A 85 20.828 -16.165 10.764 1.00 0.00 H ATOM 416 HH11 ARG A 85 21.918 -16.233 12.197 1.00 0.00 H ATOM 417 HH22 ARG A 85 18.551 -16.329 11.052 1.00 0.00 H ATOM 418 HH21 ARG A 85 17.862 -16.523 12.705 1.00 0.00 H ATOM 419 H ARG A 85 20.642 -15.589 18.716 1.00 0.00 H ATOM 420 N VAL A 86 21.643 -12.153 17.094 1.00 8.04 N ATOM 421 CA VAL A 86 20.832 -10.950 16.926 1.00 7.59 C ATOM 422 C VAL A 86 20.744 -10.606 15.443 1.00 6.60 C ATOM 423 O VAL A 86 21.704 -10.803 14.693 1.00 7.50 O ATOM 424 CB VAL A 86 21.414 -9.777 17.746 1.00 7.61 C ATOM 425 CG1 VAL A 86 20.675 -8.468 17.468 1.00 8.04 C ATOM 426 CG2 VAL A 86 21.379 -10.117 19.231 1.00 8.39 C ATOM 427 H VAL A 86 22.623 -12.141 16.746 1.00 0.00 H ATOM 428 N LEU A 87 19.576 -10.129 15.021 1.00 6.49 N ATOM 429 CA LEU A 87 19.324 -9.694 13.655 1.00 6.99 C ATOM 430 C LEU A 87 18.878 -8.238 13.696 1.00 6.51 C ATOM 431 O LEU A 87 18.120 -7.841 14.585 1.00 7.50 O ATOM 432 CB LEU A 87 18.210 -10.544 13.025 1.00 8.28 C ATOM 433 CG LEU A 87 18.264 -12.042 13.318 1.00 9.32 C ATOM 434 CD1 LEU A 87 16.989 -12.771 12.870 1.00 11.02 C ATOM 435 CD2 LEU A 87 19.499 -12.638 12.670 1.00 10.61 C ATOM 436 H LEU A 87 18.797 -10.063 15.707 1.00 0.00 H ATOM 437 N VAL A 88 19.333 -7.438 12.733 1.00 6.01 N ATOM 438 CA VAL A 88 19.022 -6.012 12.688 1.00 6.13 C ATOM 439 C VAL A 88 18.258 -5.696 11.407 1.00 5.64 C ATOM 440 O VAL A 88 18.585 -6.205 10.330 1.00 6.40 O ATOM 441 CB VAL A 88 20.291 -5.140 12.823 1.00 7.08 C ATOM 442 CG1 VAL A 88 19.971 -3.671 12.586 1.00 8.08 C ATOM 443 CG2 VAL A 88 20.921 -5.352 14.207 1.00 8.37 C ATOM 444 H VAL A 88 19.932 -7.844 11.986 1.00 0.00 H ATOM 445 N VAL A 89 17.210 -4.886 11.538 1.00 5.90 N ATOM 446 CA VAL A 89 16.494 -4.326 10.398 1.00 6.33 C ATOM 447 C VAL A 89 16.748 -2.824 10.379 1.00 5.65 C ATOM 448 O VAL A 89 16.371 -2.117 11.320 1.00 6.43 O ATOM 449 CB VAL A 89 14.993 -4.629 10.458 1.00 7.17 C ATOM 450 CG1 VAL A 89 14.318 -4.045 9.230 1.00 8.03 C ATOM 451 CG2 VAL A 89 14.768 -6.128 10.549 1.00 8.60 C ATOM 452 H VAL A 89 16.888 -4.642 12.496 1.00 0.00 H ATOM 453 N ASP A 90 17.400 -2.360 9.309 1.00 5.64 N ATOM 454 CA ASP A 90 17.761 -0.973 9.025 1.00 6.23 C ATOM 455 C ASP A 90 18.934 -0.466 9.848 1.00 6.37 C ATOM 456 O ASP A 90 19.071 -0.810 11.025 1.00 6.34 O ATOM 457 CB ASP A 90 16.568 -0.015 9.151 1.00 7.21 C ATOM 458 CG ASP A 90 15.519 -0.253 8.083 1.00 9.76 C ATOM 459 OD1 ASP A 90 15.857 -0.819 7.022 1.00 10.78 O ATOM 460 OD2 ASP A 90 14.355 0.131 8.301 1.00 11.35 O ATOM 461 H ASP A 90 17.682 -3.065 8.599 1.00 0.00 H ATOM 462 N THR A 91 19.770 0.366 9.235 1.00 6.37 N ATOM 463 CA THR A 91 20.745 1.140 9.983 1.00 6.28 C ATOM 464 C THR A 91 20.072 2.352 10.618 1.00 5.86 C ATOM 465 O THR A 91 18.875 2.586 10.457 1.00 6.63 O ATOM 466 CB THR A 91 21.926 1.570 9.102 1.00 6.52 C ATOM 467 OG1 THR A 91 21.558 2.656 8.231 1.00 6.56 O ATOM 468 CG2 THR A 91 22.445 0.419 8.256 1.00 7.23 C ATOM 469 HG1 THR A 91 21.271 3.431 8.775 1.00 0.00 H ATOM 470 H THR A 91 19.725 0.465 8.201 1.00 0.00 H ATOM 471 N ALA A 92 20.857 3.111 11.376 1.00 6.23 N ATOM 472 CA ALA A 92 20.505 4.471 11.755 1.00 6.51 C ATOM 473 C ALA A 92 20.874 5.429 10.618 1.00 6.97 C ATOM 474 O ALA A 92 21.379 5.021 9.568 1.00 6.95 O ATOM 475 CB ALA A 92 21.204 4.840 13.061 1.00 7.16 C ATOM 476 H ALA A 92 21.759 2.717 11.712 1.00 0.00 H ATOM 477 N TRP A 93 20.666 6.735 10.830 1.00 6.98 N ATOM 478 CA TRP A 93 20.982 7.710 9.782 1.00 7.69 C ATOM 479 C TRP A 93 22.467 7.714 9.440 1.00 7.99 C ATOM 480 O TRP A 93 22.836 7.973 8.289 1.00 8.18 O ATOM 481 CB TRP A 93 20.606 9.120 10.223 1.00 8.51 C ATOM 482 CG TRP A 93 19.178 9.412 10.478 1.00 7.27 C ATOM 483 CD1 TRP A 93 18.536 9.360 11.686 1.00 6.81 C ATOM 484 CD2 TRP A 93 18.218 9.902 9.535 1.00 7.53 C ATOM 485 NE1 TRP A 93 17.229 9.752 11.544 1.00 7.67 N ATOM 486 CE2 TRP A 93 17.014 10.115 10.240 1.00 7.58 C ATOM 487 CE3 TRP A 93 18.260 10.197 8.165 1.00 8.11 C ATOM 488 CZ2 TRP A 93 15.858 10.588 9.619 1.00 8.74 C ATOM 489 CZ3 TRP A 93 17.110 10.684 7.552 1.00 9.23 C ATOM 490 CH2 TRP A 93 15.931 10.872 8.278 1.00 10.06 C ATOM 491 HE1 TRP A 93 16.517 9.771 12.302 1.00 0.00 H ATOM 492 H TRP A 93 20.280 7.058 11.740 1.00 0.00 H ATOM 493 N THR A 94 23.335 7.472 10.427 1.00 8.14 N ATOM 494 CA THR A 94 24.772 7.635 10.248 1.00 7.95 C ATOM 495 C THR A 94 25.539 6.415 10.745 1.00 7.59 C ATOM 496 O THR A 94 25.038 5.604 11.532 1.00 7.57 O ATOM 497 CB THR A 94 25.320 8.867 10.981 1.00 8.69 C ATOM 498 OG1 THR A 94 25.308 8.604 12.388 1.00 8.89 O ATOM 499 CG2 THR A 94 24.493 10.114 10.668 1.00 9.62 C ATOM 500 HG1 THR A 94 25.660 9.392 12.873 1.00 0.00 H ATOM 501 H THR A 94 22.974 7.158 11.350 1.00 0.00 H ATOM 502 N ASP A 95 26.796 6.322 10.291 1.00 8.03 N ATOM 503 CA ASP A 95 27.701 5.280 10.777 1.00 7.94 C ATOM 504 C ASP A 95 27.868 5.360 12.291 1.00 8.37 C ATOM 505 O ASP A 95 27.799 4.344 12.989 1.00 8.22 O ATOM 506 CB ASP A 95 29.075 5.413 10.103 1.00 9.26 C ATOM 507 CG ASP A 95 29.066 5.033 8.629 1.00 10.28 C ATOM 508 OD1 ASP A 95 28.341 4.097 8.250 1.00 11.05 O ATOM 509 OD2 ASP A 95 29.817 5.658 7.855 1.00 11.82 O ATOM 510 H ASP A 95 27.134 7.002 9.581 1.00 0.00 H ATOM 511 N ASP A 96 28.124 6.560 12.812 1.00 8.66 N ATOM 512 CA ASP A 96 28.339 6.707 14.248 1.00 9.46 C ATOM 513 C ASP A 96 27.125 6.238 15.040 1.00 8.31 C ATOM 514 O ASP A 96 27.267 5.552 16.058 1.00 8.86 O ATOM 515 CB ASP A 96 28.643 8.168 14.591 1.00 11.61 C ATOM 516 CG ASP A 96 30.061 8.587 14.248 1.00 15.69 C ATOM 517 OD1 ASP A 96 30.358 9.787 14.420 1.00 17.70 O ATOM 518 OD2 ASP A 96 30.874 7.746 13.813 1.00 17.14 O ATOM 519 H ASP A 96 28.171 7.394 12.193 1.00 0.00 H ATOM 520 N GLN A 97 25.921 6.614 14.601 1.00 7.54 N ATOM 521 CA GLN A 97 24.721 6.158 15.297 1.00 7.51 C ATOM 522 C GLN A 97 24.567 4.648 15.193 1.00 7.34 C ATOM 523 O GLN A 97 24.169 3.986 16.158 1.00 8.08 O ATOM 524 CB GLN A 97 23.491 6.848 14.722 1.00 7.36 C ATOM 525 CG GLN A 97 23.411 8.333 14.989 1.00 7.46 C ATOM 526 CD GLN A 97 22.360 8.999 14.132 1.00 8.12 C ATOM 527 OE1 GLN A 97 21.811 8.393 13.217 1.00 8.56 O ATOM 528 NE2 GLN A 97 22.076 10.256 14.419 1.00 9.46 N ATOM 529 HE22 GLN A 97 22.564 10.733 15.203 1.00 0.00 H ATOM 530 HE21 GLN A 97 21.364 10.769 13.861 1.00 0.00 H ATOM 531 H GLN A 97 25.838 7.229 13.767 1.00 0.00 H ATOM 532 N THR A 98 24.892 4.086 14.030 1.00 6.40 N ATOM 533 CA THR A 98 24.762 2.649 13.837 1.00 6.63 C ATOM 534 C THR A 98 25.746 1.887 14.712 1.00 6.67 C ATOM 535 O THR A 98 25.394 0.851 15.291 1.00 7.09 O ATOM 536 CB THR A 98 24.911 2.331 12.356 1.00 6.80 C ATOM 537 OG1 THR A 98 23.889 3.031 11.641 1.00 6.47 O ATOM 538 CG2 THR A 98 24.768 0.847 12.092 1.00 7.79 C ATOM 539 HG1 THR A 98 23.990 4.004 11.792 1.00 0.00 H ATOM 540 H THR A 98 25.242 4.680 13.252 1.00 0.00 H ATOM 541 N ALA A 99 26.968 2.407 14.871 1.00 7.05 N ATOM 542 CA ALA A 99 27.896 1.791 15.809 1.00 8.44 C ATOM 543 C ALA A 99 27.353 1.828 17.230 1.00 8.19 C ATOM 544 O ALA A 99 27.602 0.908 18.016 1.00 8.74 O ATOM 545 CB ALA A 99 29.268 2.455 15.726 1.00 9.61 C ATOM 546 H ALA A 99 27.254 3.247 14.328 1.00 0.00 H ATOM 547 N GLN A 100 26.589 2.867 17.573 1.00 8.64 N ATOM 548 CA GLN A 100 25.978 2.919 18.898 1.00 9.20 C ATOM 549 C GLN A 100 24.873 1.878 19.066 1.00 8.36 C ATOM 550 O GLN A 100 24.705 1.334 20.161 1.00 8.77 O ATOM 551 CB GLN A 100 25.477 4.331 19.194 1.00 11.20 C ATOM 552 CG GLN A 100 26.577 5.275 19.642 1.00 14.93 C ATOM 553 CD GLN A 100 26.912 5.095 21.108 1.00 17.83 C ATOM 554 OE1 GLN A 100 27.435 4.061 21.524 1.00 18.54 O ATOM 555 NE2 GLN A 100 26.610 6.110 21.903 1.00 19.46 N ATOM 556 HE22 GLN A 100 26.169 6.965 21.509 1.00 0.00 H ATOM 557 HE21 GLN A 100 26.814 6.052 22.921 1.00 0.00 H ATOM 558 H GLN A 100 26.429 3.640 16.896 1.00 0.00 H ATOM 559 N ILE A 101 24.102 1.592 18.005 1.00 7.84 N ATOM 560 CA ILE A 101 23.169 0.462 18.051 1.00 7.38 C ATOM 561 C ILE A 101 23.916 -0.806 18.419 1.00 7.13 C ATOM 562 O ILE A 101 23.487 -1.581 19.281 1.00 6.70 O ATOM 563 CB ILE A 101 22.428 0.290 16.710 1.00 7.59 C ATOM 564 CG1 ILE A 101 21.522 1.482 16.416 1.00 8.43 C ATOM 565 CG2 ILE A 101 21.622 -1.022 16.695 1.00 8.61 C ATOM 566 CD1 ILE A 101 20.935 1.459 15.011 1.00 9.89 C ATOM 567 H ILE A 101 24.167 2.175 17.146 1.00 0.00 H ATOM 568 N LEU A 102 25.053 -1.039 17.761 1.00 7.32 N ATOM 569 CA LEU A 102 25.798 -2.260 18.035 1.00 7.42 C ATOM 570 C LEU A 102 26.348 -2.270 19.453 1.00 7.92 C ATOM 571 O LEU A 102 26.419 -3.333 20.082 1.00 8.77 O ATOM 572 CB LEU A 102 26.906 -2.439 17.000 1.00 7.68 C ATOM 573 CG LEU A 102 26.409 -2.492 15.557 1.00 7.83 C ATOM 574 CD1 LEU A 102 27.592 -2.669 14.620 1.00 8.95 C ATOM 575 CD2 LEU A 102 25.381 -3.595 15.331 1.00 7.87 C ATOM 576 H LEU A 102 25.404 -0.356 17.060 1.00 0.00 H ATOM 577 N ASN A 103 26.727 -1.097 19.966 1.00 8.03 N ATOM 578 CA ASN A 103 27.174 -0.986 21.350 1.00 8.86 C ATOM 579 C ASN A 103 26.045 -1.316 22.320 1.00 8.24 C ATOM 580 O ASN A 103 26.254 -2.045 23.297 1.00 9.11 O ATOM 581 CB ASN A 103 27.716 0.430 21.579 1.00 12.33 C ATOM 582 CG ASN A 103 28.450 0.582 22.896 1.00 16.37 C ATOM 583 OD1 ASN A 103 28.786 -0.397 23.559 1.00 18.15 O ATOM 584 ND2 ASN A 103 28.726 1.827 23.268 1.00 17.51 N ATOM 585 HD22 ASN A 103 28.422 2.626 22.676 1.00 0.00 H ATOM 586 HD21 ASN A 103 29.246 2.003 24.151 1.00 0.00 H ATOM 587 H ASN A 103 26.703 -0.247 19.368 1.00 0.00 H ATOM 588 N TRP A 104 24.834 -0.821 22.048 1.00 8.12 N ATOM 589 CA TRP A 104 23.714 -1.158 22.919 1.00 8.39 C ATOM 590 C TRP A 104 23.451 -2.658 22.896 1.00 7.68 C ATOM 591 O TRP A 104 23.238 -3.279 23.941 1.00 8.30 O ATOM 592 CB TRP A 104 22.465 -0.385 22.503 1.00 8.54 C ATOM 593 CG TRP A 104 21.307 -0.667 23.406 1.00 9.27 C ATOM 594 CD1 TRP A 104 21.002 -0.026 24.566 1.00 10.17 C ATOM 595 CD2 TRP A 104 20.309 -1.677 23.228 1.00 10.02 C ATOM 596 NE1 TRP A 104 19.869 -0.567 25.123 1.00 10.54 N ATOM 597 CE2 TRP A 104 19.429 -1.589 24.323 1.00 10.26 C ATOM 598 CE3 TRP A 104 20.077 -2.648 22.248 1.00 9.89 C ATOM 599 CZ2 TRP A 104 18.325 -2.427 24.461 1.00 11.14 C ATOM 600 CZ3 TRP A 104 18.990 -3.484 22.389 1.00 10.62 C ATOM 601 CH2 TRP A 104 18.125 -3.372 23.489 1.00 10.87 C ATOM 602 HE1 TRP A 104 19.419 -0.253 26.006 1.00 0.00 H ATOM 603 H TRP A 104 24.692 -0.202 21.224 1.00 0.00 H ATOM 604 N ILE A 105 23.499 -3.264 21.709 1.00 7.80 N ATOM 605 CA ILE A 105 23.317 -4.708 21.595 1.00 8.14 C ATOM 606 C ILE A 105 24.365 -5.448 22.417 1.00 8.11 C ATOM 607 O ILE A 105 24.055 -6.419 23.115 1.00 8.40 O ATOM 608 CB ILE A 105 23.317 -5.144 20.117 1.00 7.72 C ATOM 609 CG1 ILE A 105 22.061 -4.627 19.414 1.00 7.76 C ATOM 610 CG2 ILE A 105 23.427 -6.669 20.002 1.00 7.81 C ATOM 611 CD1 ILE A 105 22.103 -4.738 17.912 1.00 8.13 C ATOM 612 H ILE A 105 23.669 -2.700 20.852 1.00 0.00 H ATOM 613 N LYS A 106 25.621 -5.005 22.353 1.00 8.05 N ATOM 614 CA LYS A 106 26.675 -5.662 23.119 1.00 9.14 C ATOM 615 C LYS A 106 26.388 -5.591 24.612 1.00 10.23 C ATOM 616 O LYS A 106 26.578 -6.575 25.337 1.00 10.97 O ATOM 617 CB LYS A 106 28.017 -4.999 22.799 1.00 10.96 C ATOM 618 CG LYS A 106 29.178 -5.428 23.687 1.00 13.95 C ATOM 619 CD LYS A 106 29.569 -6.872 23.475 1.00 17.39 C ATOM 620 CE LYS A 106 30.714 -7.256 24.397 1.00 20.18 C ATOM 621 NZ LYS A 106 31.032 -8.703 24.311 1.00 21.44 N ATOM 622 HZ1 LYS A 106 30.195 -9.257 24.582 1.00 0.00 H ATOM 623 HZ2 LYS A 106 31.305 -8.939 23.336 1.00 0.00 H ATOM 624 HZ3 LYS A 106 31.818 -8.923 24.955 1.00 0.00 H ATOM 625 H LYS A 106 25.851 -4.187 21.754 1.00 0.00 H ATOM 626 N GLN A 107 25.921 -4.437 25.089 1.00 10.12 N ATOM 627 CA GLN A 107 25.719 -4.246 26.517 1.00 11.22 C ATOM 628 C GLN A 107 24.475 -4.962 27.024 1.00 10.91 C ATOM 629 O GLN A 107 24.488 -5.525 28.123 1.00 11.66 O ATOM 630 CB GLN A 107 25.652 -2.752 26.818 1.00 13.02 C ATOM 631 CG GLN A 107 26.991 -2.079 26.632 1.00 15.98 C ATOM 632 CD GLN A 107 27.009 -0.666 27.157 1.00 17.51 C ATOM 633 OE1 GLN A 107 26.384 -0.361 28.174 1.00 17.93 O ATOM 634 NE2 GLN A 107 27.728 0.211 26.466 1.00 18.86 N ATOM 635 HE22 GLN A 107 28.239 -0.093 25.613 1.00 0.00 H ATOM 636 HE21 GLN A 107 27.780 1.202 26.778 1.00 0.00 H ATOM 637 H GLN A 107 25.698 -3.663 24.431 1.00 0.00 H ATOM 638 N GLU A 108 23.388 -4.947 26.257 1.00 9.86 N ATOM 639 CA GLU A 108 22.131 -5.479 26.761 1.00 9.32 C ATOM 640 C GLU A 108 21.827 -6.894 26.307 1.00 8.87 C ATOM 641 O GLU A 108 21.025 -7.573 26.960 1.00 10.45 O ATOM 642 CB GLU A 108 20.958 -4.565 26.389 1.00 9.27 C ATOM 643 CG GLU A 108 20.691 -3.492 27.422 1.00 10.23 C ATOM 644 CD GLU A 108 20.233 -4.036 28.773 1.00 11.05 C ATOM 645 OE1 GLU A 108 20.206 -3.233 29.731 1.00 11.71 O ATOM 646 OE2 GLU A 108 19.898 -5.251 28.888 1.00 11.67 O ATOM 647 H GLU A 108 23.437 -4.554 25.295 1.00 0.00 H ATOM 648 N ILE A 109 22.422 -7.353 25.210 1.00 9.03 N ATOM 649 CA ILE A 109 22.161 -8.686 24.690 1.00 8.76 C ATOM 650 C ILE A 109 23.420 -9.548 24.679 1.00 8.89 C ATOM 651 O ILE A 109 23.397 -10.705 25.116 1.00 9.75 O ATOM 652 CB ILE A 109 21.485 -8.641 23.303 1.00 8.93 C ATOM 653 CG1 ILE A 109 20.192 -7.821 23.377 1.00 9.39 C ATOM 654 CG2 ILE A 109 21.184 -10.051 22.834 1.00 9.91 C ATOM 655 CD1 ILE A 109 19.571 -7.524 22.027 1.00 10.55 C ATOM 656 H ILE A 109 23.095 -6.739 24.708 1.00 0.00 H ATOM 657 N ASN A 110 24.535 -8.997 24.190 1.00 8.81 N ATOM 658 CA ASN A 110 25.829 -9.680 24.252 1.00 9.62 C ATOM 659 C ASN A 110 25.809 -11.005 23.487 1.00 9.98 C ATOM 660 O ASN A 110 26.280 -12.037 23.966 1.00 11.13 O ATOM 661 CB ASN A 110 26.305 -9.871 25.696 1.00 11.41 C ATOM 662 CG ASN A 110 27.768 -10.247 25.773 1.00 14.21 C ATOM 663 OD1 ASN A 110 28.553 -9.901 24.892 1.00 14.48 O ATOM 664 ND2 ASN A 110 28.139 -10.975 26.819 1.00 16.07 N ATOM 665 HD22 ASN A 110 27.439 -11.244 27.540 1.00 0.00 H ATOM 666 HD21 ASN A 110 29.129 -11.276 26.918 1.00 0.00 H ATOM 667 H ASN A 110 24.482 -8.055 23.752 1.00 0.00 H ATOM 668 N LEU A 111 25.236 -10.966 22.286 1.00 9.48 N ATOM 669 CA LEU A 111 25.249 -12.082 21.358 1.00 9.91 C ATOM 670 C LEU A 111 25.644 -11.541 19.996 1.00 9.87 C ATOM 671 O LEU A 111 25.417 -10.361 19.713 1.00 9.66 O ATOM 672 CB LEU A 111 23.864 -12.738 21.253 1.00 9.62 C ATOM 673 CG LEU A 111 23.391 -13.446 22.526 1.00 9.68 C ATOM 674 CD1 LEU A 111 21.908 -13.764 22.456 1.00 9.82 C ATOM 675 CD2 LEU A 111 24.211 -14.701 22.806 1.00 10.40 C ATOM 676 H LEU A 111 24.754 -10.091 21.998 1.00 0.00 H ATOM 677 N PRO A 112 26.228 -12.375 19.133 1.00 10.35 N ATOM 678 CA PRO A 112 26.682 -11.871 17.829 1.00 10.44 C ATOM 679 C PRO A 112 25.516 -11.410 16.971 1.00 9.02 C ATOM 680 O PRO A 112 24.432 -11.991 16.999 1.00 8.56 O ATOM 681 CB PRO A 112 27.394 -13.076 17.199 1.00 12.03 C ATOM 682 CG PRO A 112 26.963 -14.261 17.992 1.00 14.23 C ATOM 683 CD PRO A 112 26.613 -13.781 19.357 1.00 11.83 C ATOM 684 N VAL A 113 25.751 -10.350 16.202 1.00 8.48 N ATOM 685 CA VAL A 113 24.781 -9.877 15.221 1.00 8.49 C ATOM 686 C VAL A 113 25.044 -10.644 13.929 1.00 8.49 C ATOM 687 O VAL A 113 26.037 -10.400 13.237 1.00 9.97 O ATOM 688 CB VAL A 113 24.865 -8.361 15.012 1.00 9.08 C ATOM 689 CG1 VAL A 113 23.835 -7.927 13.982 1.00 9.50 C ATOM 690 CG2 VAL A 113 24.625 -7.619 16.314 1.00 9.20 C ATOM 691 H VAL A 113 26.654 -9.843 16.304 1.00 0.00 H ATOM 692 N ALA A 114 24.155 -11.589 13.614 1.00 8.32 N ATOM 693 CA ALA A 114 24.398 -12.505 12.505 1.00 9.24 C ATOM 694 C ALA A 114 24.196 -11.838 11.155 1.00 8.72 C ATOM 695 O ALA A 114 24.877 -12.191 10.189 1.00 9.81 O ATOM 696 CB ALA A 114 23.469 -13.713 12.613 1.00 10.56 C ATOM 697 H ALA A 114 23.278 -11.673 14.166 1.00 0.00 H ATOM 698 N LEU A 115 23.259 -10.901 11.050 1.00 7.27 N ATOM 699 CA LEU A 115 23.004 -10.257 9.775 1.00 7.93 C ATOM 700 C LEU A 115 22.168 -9.021 10.026 1.00 6.95 C ATOM 701 O LEU A 115 21.541 -8.864 11.081 1.00 7.71 O ATOM 702 CB LEU A 115 22.289 -11.189 8.785 1.00 9.02 C ATOM 703 CG LEU A 115 20.906 -11.686 9.209 1.00 10.98 C ATOM 704 CD1 LEU A 115 19.813 -10.782 8.641 1.00 11.50 C ATOM 705 CD2 LEU A 115 20.733 -13.121 8.755 1.00 13.39 C ATOM 706 H LEU A 115 22.705 -10.628 11.887 1.00 0.00 H ATOM 707 N ALA A 116 22.165 -8.153 9.020 1.00 6.69 N ATOM 708 CA ALA A 116 21.265 -7.016 8.957 1.00 6.82 C ATOM 709 C ALA A 116 20.605 -7.002 7.591 1.00 6.64 C ATOM 710 O ALA A 116 21.242 -7.316 6.582 1.00 7.04 O ATOM 711 CB ALA A 116 22.001 -5.701 9.183 1.00 7.29 C ATOM 712 H ALA A 116 22.839 -8.295 8.241 1.00 0.00 H ATOM 713 N VAL A 117 19.330 -6.623 7.562 1.00 7.13 N ATOM 714 CA VAL A 117 18.619 -6.359 6.318 1.00 7.22 C ATOM 715 C VAL A 117 18.148 -4.912 6.334 1.00 6.23 C ATOM 716 O VAL A 117 17.685 -4.414 7.368 1.00 6.83 O ATOM 717 CB VAL A 117 17.456 -7.351 6.089 1.00 9.05 C ATOM 718 CG1 VAL A 117 16.426 -7.290 7.206 1.00 10.58 C ATOM 719 CG2 VAL A 117 16.815 -7.120 4.720 1.00 10.24 C ATOM 720 H VAL A 117 18.821 -6.511 8.462 1.00 0.00 H ATOM 721 N VAL A 118 18.326 -4.214 5.212 1.00 6.39 N ATOM 722 CA VAL A 118 17.987 -2.799 5.123 1.00 7.56 C ATOM 723 C VAL A 118 16.896 -2.632 4.075 1.00 7.44 C ATOM 724 O VAL A 118 16.888 -3.348 3.070 1.00 8.24 O ATOM 725 CB VAL A 118 19.234 -1.943 4.826 1.00 9.53 C ATOM 726 CG1 VAL A 118 20.224 -2.071 5.977 1.00 10.43 C ATOM 727 CG2 VAL A 118 19.889 -2.369 3.521 1.00 10.84 C ATOM 728 H VAL A 118 18.718 -4.693 4.376 1.00 0.00 H ATOM 729 N THR A 119 15.957 -1.714 4.318 1.00 7.13 N ATOM 730 CA THR A 119 14.663 -1.799 3.642 1.00 7.35 C ATOM 731 C THR A 119 14.476 -0.867 2.447 1.00 8.20 C ATOM 732 O THR A 119 13.457 -1.000 1.763 1.00 8.95 O ATOM 733 CB THR A 119 13.485 -1.700 4.628 1.00 7.84 C ATOM 734 OG1 THR A 119 13.521 -0.448 5.312 1.00 7.88 O ATOM 735 CG2 THR A 119 13.526 -2.830 5.646 1.00 8.88 C ATOM 736 HG1 THR A 119 14.372 -0.371 5.813 1.00 0.00 H ATOM 737 H THR A 119 16.146 -0.940 4.987 1.00 0.00 H ATOM 738 N HIS A 120 15.409 0.051 2.180 1.00 7.69 N ATOM 739 CA HIS A 120 15.545 0.703 0.877 1.00 7.70 C ATOM 740 C HIS A 120 16.788 1.579 0.906 1.00 8.10 C ATOM 741 O HIS A 120 17.366 1.834 1.967 1.00 7.60 O ATOM 742 CB HIS A 120 14.294 1.464 0.389 1.00 8.70 C ATOM 743 CG HIS A 120 13.963 2.702 1.166 1.00 9.09 C ATOM 744 ND1 HIS A 120 13.246 2.671 2.344 1.00 9.62 N ATOM 745 CD2 HIS A 120 14.177 4.013 0.892 1.00 9.50 C ATOM 746 CE1 HIS A 120 13.069 3.904 2.782 1.00 10.67 C ATOM 747 NE2 HIS A 120 13.622 4.739 1.919 1.00 10.71 N ATOM 748 H HIS A 120 16.072 0.316 2.936 1.00 0.00 H ATOM 749 N ALA A 121 17.181 2.049 -0.279 1.00 8.29 N ATOM 750 CA ALA A 121 18.440 2.775 -0.452 1.00 8.70 C ATOM 751 C ALA A 121 18.244 4.279 -0.236 1.00 8.72 C ATOM 752 O ALA A 121 18.384 5.092 -1.148 1.00 11.79 O ATOM 753 CB ALA A 121 19.031 2.482 -1.826 1.00 9.83 C ATOM 754 H ALA A 121 16.572 1.894 -1.108 1.00 0.00 H ATOM 755 N HIS A 122 17.935 4.640 1.010 1.00 8.43 N ATOM 756 CA HIS A 122 17.929 6.021 1.478 1.00 8.50 C ATOM 757 C HIS A 122 18.678 6.106 2.802 1.00 7.84 C ATOM 758 O HIS A 122 18.866 5.103 3.495 1.00 7.63 O ATOM 759 CB HIS A 122 16.504 6.551 1.681 1.00 8.85 C ATOM 760 CG HIS A 122 15.847 7.028 0.426 1.00 10.45 C ATOM 761 ND1 HIS A 122 14.502 7.329 0.356 1.00 12.17 N ATOM 762 CD2 HIS A 122 16.353 7.274 -0.806 1.00 11.83 C ATOM 763 CE1 HIS A 122 14.212 7.743 -0.864 1.00 13.53 C ATOM 764 NE2 HIS A 122 15.316 7.719 -1.588 1.00 13.26 N ATOM 765 H HIS A 122 17.683 3.892 1.688 1.00 0.00 H ATOM 766 N GLN A 123 19.059 7.337 3.171 1.00 8.15 N ATOM 767 CA GLN A 123 19.971 7.540 4.296 1.00 8.24 C ATOM 768 C GLN A 123 19.416 7.002 5.608 1.00 8.34 C ATOM 769 O GLN A 123 20.172 6.464 6.427 1.00 8.43 O ATOM 770 CB GLN A 123 20.307 9.018 4.451 1.00 8.51 C ATOM 771 CG GLN A 123 21.392 9.257 5.480 1.00 10.62 C ATOM 772 CD GLN A 123 21.635 10.716 5.742 1.00 13.34 C ATOM 773 OE1 GLN A 123 21.022 11.577 5.125 1.00 14.96 O ATOM 774 NE2 GLN A 123 22.529 11.004 6.670 1.00 15.24 N ATOM 775 HE22 GLN A 123 23.026 10.239 7.169 1.00 0.00 H ATOM 776 HE21 GLN A 123 22.736 11.996 6.902 1.00 0.00 H ATOM 777 H GLN A 123 18.700 8.161 2.649 1.00 0.00 H ATOM 778 N ASP A 124 18.114 7.167 5.845 1.00 7.91 N ATOM 779 CA ASP A 124 17.568 6.729 7.125 1.00 7.68 C ATOM 780 C ASP A 124 17.637 5.221 7.313 1.00 7.44 C ATOM 781 O ASP A 124 17.674 4.755 8.457 1.00 8.52 O ATOM 782 CB ASP A 124 16.174 7.314 7.429 1.00 8.31 C ATOM 783 CG ASP A 124 15.136 7.107 6.325 1.00 8.98 C ATOM 784 OD1 ASP A 124 15.410 6.544 5.242 1.00 10.32 O ATOM 785 OD2 ASP A 124 13.994 7.565 6.566 1.00 10.02 O ATOM 786 H ASP A 124 17.498 7.601 5.129 1.00 0.00 H ATOM 787 N LYS A 125 17.710 4.452 6.224 1.00 7.26 N ATOM 788 CA LYS A 125 17.722 3.000 6.296 1.00 7.74 C ATOM 789 C LYS A 125 19.079 2.385 5.997 1.00 6.97 C ATOM 790 O LYS A 125 19.339 1.256 6.439 1.00 8.04 O ATOM 791 CB LYS A 125 16.690 2.405 5.320 1.00 7.69 C ATOM 792 CG LYS A 125 15.337 3.103 5.307 1.00 9.24 C ATOM 793 CD LYS A 125 14.412 2.686 6.450 1.00 9.68 C ATOM 794 CE LYS A 125 14.662 3.445 7.749 1.00 9.15 C ATOM 795 NZ LYS A 125 13.883 2.821 8.858 1.00 9.72 N ATOM 796 HZ1 LYS A 125 12.869 2.855 8.629 1.00 0.00 H ATOM 797 HZ2 LYS A 125 14.181 1.831 8.975 1.00 0.00 H ATOM 798 HZ3 LYS A 125 14.058 3.344 9.740 1.00 0.00 H ATOM 799 H LYS A 125 17.760 4.908 5.291 1.00 0.00 H ATOM 800 N MET A 126 19.936 3.091 5.250 1.00 7.68 N ATOM 801 CA MET A 126 21.206 2.553 4.786 1.00 8.14 C ATOM 802 C MET A 126 22.393 3.466 5.061 1.00 8.62 C ATOM 803 O MET A 126 23.505 3.167 4.603 1.00 10.55 O ATOM 804 CB MET A 126 21.136 2.269 3.287 1.00 10.27 C ATOM 805 CG MET A 126 20.589 0.916 2.954 1.00 13.72 C ATOM 806 SD MET A 126 20.610 0.558 1.190 1.00 13.87 S ATOM 807 CE MET A 126 22.112 -0.392 0.945 1.00 13.73 C ATOM 808 H MET A 126 19.684 4.066 4.990 1.00 0.00 H ATOM 809 N GLY A 127 22.195 4.574 5.778 1.00 8.02 N ATOM 810 CA GLY A 127 23.291 5.502 5.999 1.00 8.37 C ATOM 811 C GLY A 127 24.435 4.943 6.826 1.00 8.33 C ATOM 812 O GLY A 127 25.550 5.479 6.776 1.00 9.40 O ATOM 813 H GLY A 127 21.256 4.773 6.179 1.00 0.00 H ATOM 814 N GLY A 128 24.185 3.890 7.606 1.00 7.19 N ATOM 815 CA GLY A 128 25.219 3.357 8.473 1.00 7.82 C ATOM 816 C GLY A 128 25.818 2.032 8.033 1.00 7.47 C ATOM 817 O GLY A 128 26.340 1.287 8.867 1.00 8.03 O ATOM 818 H GLY A 128 23.243 3.449 7.593 1.00 0.00 H ATOM 819 N MET A 129 25.787 1.733 6.729 1.00 7.62 N ATOM 820 CA MET A 129 26.258 0.436 6.253 1.00 7.77 C ATOM 821 C MET A 129 27.719 0.185 6.626 1.00 7.21 C ATOM 822 O MET A 129 28.085 -0.941 6.989 1.00 7.70 O ATOM 823 CB MET A 129 26.040 0.339 4.745 1.00 8.17 C ATOM 824 CG MET A 129 26.324 -1.015 4.142 1.00 8.44 C ATOM 825 SD MET A 129 25.225 -2.351 4.649 1.00 9.15 S ATOM 826 CE MET A 129 23.689 -1.839 3.894 1.00 9.04 C ATOM 827 H MET A 129 25.424 2.431 6.049 1.00 0.00 H ATOM 828 N ASP A 130 28.578 1.208 6.515 1.00 7.10 N ATOM 829 CA ASP A 130 29.995 1.003 6.821 1.00 8.36 C ATOM 830 C ASP A 130 30.190 0.539 8.260 1.00 8.09 C ATOM 831 O ASP A 130 31.096 -0.249 8.547 1.00 8.15 O ATOM 832 CB ASP A 130 30.794 2.289 6.595 1.00 9.51 C ATOM 833 CG ASP A 130 31.366 2.425 5.188 1.00 10.94 C ATOM 834 OD1 ASP A 130 31.367 1.451 4.405 1.00 11.43 O ATOM 835 OD2 ASP A 130 31.841 3.539 4.884 1.00 12.26 O ATOM 836 H ASP A 130 28.239 2.144 6.213 1.00 0.00 H ATOM 837 N ALA A 131 29.372 1.038 9.187 1.00 7.48 N ATOM 838 CA ALA A 131 29.494 0.597 10.575 1.00 8.10 C ATOM 839 C ALA A 131 29.173 -0.888 10.713 1.00 7.39 C ATOM 840 O ALA A 131 29.828 -1.606 11.480 1.00 7.52 O ATOM 841 CB ALA A 131 28.601 1.441 11.488 1.00 8.55 C ATOM 842 H ALA A 131 28.650 1.738 8.923 1.00 0.00 H ATOM 843 N LEU A 132 28.158 -1.367 9.988 1.00 7.18 N ATOM 844 CA LEU A 132 27.865 -2.798 10.002 1.00 7.73 C ATOM 845 C LEU A 132 29.023 -3.600 9.423 1.00 7.75 C ATOM 846 O LEU A 132 29.404 -4.643 9.971 1.00 7.78 O ATOM 847 CB LEU A 132 26.579 -3.091 9.223 1.00 7.99 C ATOM 848 CG LEU A 132 25.314 -2.388 9.717 1.00 7.77 C ATOM 849 CD1 LEU A 132 24.147 -2.759 8.826 1.00 8.70 C ATOM 850 CD2 LEU A 132 25.026 -2.742 11.171 1.00 8.48 C ATOM 851 H LEU A 132 27.578 -0.722 9.415 1.00 0.00 H ATOM 852 N HIS A 133 29.594 -3.127 8.311 1.00 7.33 N ATOM 853 CA HIS A 133 30.674 -3.870 7.672 1.00 8.12 C ATOM 854 C HIS A 133 31.935 -3.858 8.522 1.00 8.43 C ATOM 855 O HIS A 133 32.630 -4.873 8.621 1.00 9.30 O ATOM 856 CB HIS A 133 30.921 -3.320 6.276 1.00 8.01 C ATOM 857 CG HIS A 133 29.761 -3.520 5.361 1.00 7.88 C ATOM 858 ND1 HIS A 133 29.614 -2.828 4.180 1.00 8.52 N ATOM 859 CD2 HIS A 133 28.690 -4.345 5.453 1.00 8.36 C ATOM 860 CE1 HIS A 133 28.511 -3.233 3.574 1.00 9.25 C ATOM 861 NE2 HIS A 133 27.926 -4.146 4.330 1.00 8.93 N ATOM 862 H HIS A 133 29.268 -2.229 7.901 1.00 0.00 H ATOM 863 N ALA A 134 32.231 -2.727 9.165 1.00 9.01 N ATOM 864 CA ALA A 134 33.374 -2.670 10.070 1.00 9.47 C ATOM 865 C ALA A 134 33.233 -3.659 11.217 1.00 10.05 C ATOM 866 O ALA A 134 34.240 -4.188 11.700 1.00 10.74 O ATOM 867 CB ALA A 134 33.550 -1.256 10.610 1.00 9.75 C ATOM 868 H ALA A 134 31.644 -1.881 9.020 1.00 0.00 H ATOM 869 N ALA A 135 32.001 -3.925 11.652 1.00 9.25 N ATOM 870 CA ALA A 135 31.705 -4.883 12.708 1.00 9.90 C ATOM 871 C ALA A 135 31.655 -6.326 12.221 1.00 9.95 C ATOM 872 O ALA A 135 31.434 -7.225 13.038 1.00 11.25 O ATOM 873 CB ALA A 135 30.362 -4.531 13.350 1.00 10.22 C ATOM 874 H ALA A 135 31.206 -3.419 11.212 1.00 0.00 H ATOM 875 N GLY A 136 31.840 -6.574 10.926 1.00 9.43 N ATOM 876 CA GLY A 136 31.820 -7.930 10.421 1.00 10.19 C ATOM 877 C GLY A 136 30.447 -8.531 10.236 1.00 9.45 C ATOM 878 O GLY A 136 30.330 -9.758 10.167 1.00 11.88 O ATOM 879 H GLY A 136 32.001 -5.784 10.269 1.00 0.00 H ATOM 880 N ILE A 137 29.405 -7.710 10.132 1.00 8.85 N ATOM 881 CA ILE A 137 28.030 -8.187 10.015 1.00 7.97 C ATOM 882 C ILE A 137 27.673 -8.352 8.541 1.00 8.55 C ATOM 883 O ILE A 137 27.880 -7.437 7.736 1.00 9.62 O ATOM 884 CB ILE A 137 27.068 -7.212 10.714 1.00 8.18 C ATOM 885 CG1 ILE A 137 27.408 -7.136 12.205 1.00 8.30 C ATOM 886 CG2 ILE A 137 25.612 -7.597 10.458 1.00 8.61 C ATOM 887 CD1 ILE A 137 26.847 -5.928 12.896 1.00 8.37 C ATOM 888 H ILE A 137 29.577 -6.684 10.134 1.00 0.00 H ATOM 889 N ALA A 138 27.128 -9.514 8.185 1.00 8.76 N ATOM 890 CA ALA A 138 26.672 -9.746 6.821 1.00 8.92 C ATOM 891 C ALA A 138 25.422 -8.926 6.549 1.00 7.81 C ATOM 892 O ALA A 138 24.484 -8.930 7.353 1.00 7.98 O ATOM 893 CB ALA A 138 26.363 -11.226 6.631 1.00 9.66 C ATOM 894 H ALA A 138 27.026 -10.269 8.893 1.00 0.00 H ATOM 895 N THR A 139 25.399 -8.239 5.410 1.00 7.14 N ATOM 896 CA THR A 139 24.320 -7.314 5.105 1.00 7.23 C ATOM 897 C THR A 139 23.561 -7.718 3.845 1.00 7.37 C ATOM 898 O THR A 139 24.144 -8.210 2.870 1.00 7.74 O ATOM 899 CB THR A 139 24.840 -5.880 4.994 1.00 8.25 C ATOM 900 OG1 THR A 139 25.846 -5.818 3.981 1.00 8.46 O ATOM 901 CG2 THR A 139 25.429 -5.421 6.328 1.00 9.41 C ATOM 902 HG1 THR A 139 26.183 -4.890 3.909 1.00 0.00 H ATOM 903 H THR A 139 26.169 -8.366 4.723 1.00 0.00 H ATOM 904 N TYR A 140 22.255 -7.450 3.865 1.00 7.32 N ATOM 905 CA TYR A 140 21.318 -7.853 2.825 1.00 7.37 C ATOM 906 C TYR A 140 20.407 -6.690 2.476 1.00 7.70 C ATOM 907 O TYR A 140 19.994 -5.928 3.355 1.00 8.41 O ATOM 908 CB TYR A 140 20.445 -9.028 3.302 1.00 7.44 C ATOM 909 CG TYR A 140 21.258 -10.274 3.547 1.00 7.79 C ATOM 910 CD1 TYR A 140 21.962 -10.446 4.732 1.00 8.06 C ATOM 911 CD2 TYR A 140 21.364 -11.260 2.575 1.00 8.35 C ATOM 912 CE1 TYR A 140 22.745 -11.558 4.948 1.00 8.86 C ATOM 913 CE2 TYR A 140 22.136 -12.382 2.778 1.00 9.08 C ATOM 914 CZ TYR A 140 22.827 -12.524 3.969 1.00 9.90 C ATOM 915 OH TYR A 140 23.610 -13.631 4.171 1.00 11.75 O ATOM 916 HH TYR A 140 24.314 -13.667 3.476 1.00 0.00 H ATOM 917 H TYR A 140 21.881 -6.918 4.677 1.00 0.00 H ATOM 918 N ALA A 141 20.090 -6.564 1.191 1.00 6.99 N ATOM 919 CA ALA A 141 19.119 -5.588 0.727 1.00 7.33 C ATOM 920 C ALA A 141 18.508 -6.121 -0.555 1.00 7.00 C ATOM 921 O ALA A 141 19.086 -6.986 -1.219 1.00 7.62 O ATOM 922 CB ALA A 141 19.769 -4.223 0.472 1.00 7.75 C ATOM 923 H ALA A 141 20.552 -7.184 0.496 1.00 0.00 H ATOM 924 N ASN A 142 17.334 -5.595 -0.899 1.00 7.06 N ATOM 925 CA ASN A 142 16.757 -5.831 -2.212 1.00 8.17 C ATOM 926 C ASN A 142 17.828 -5.578 -3.268 1.00 7.87 C ATOM 927 O ASN A 142 18.579 -4.599 -3.186 1.00 7.78 O ATOM 928 CB ASN A 142 15.593 -4.849 -2.377 1.00 8.73 C ATOM 929 CG ASN A 142 14.807 -5.036 -3.668 1.00 9.92 C ATOM 930 OD1 ASN A 142 15.169 -5.820 -4.539 1.00 10.59 O ATOM 931 ND2 ASN A 142 13.719 -4.286 -3.794 1.00 9.76 N ATOM 932 HD22 ASN A 142 13.446 -3.633 -3.032 1.00 0.00 H ATOM 933 HD21 ASN A 142 13.139 -4.351 -4.655 1.00 0.00 H ATOM 934 H ASN A 142 16.820 -5.004 -0.215 1.00 0.00 H ATOM 935 N ALA A 143 17.924 -6.489 -4.241 1.00 8.09 N ATOM 936 CA ALA A 143 18.841 -6.279 -5.358 1.00 8.44 C ATOM 937 C ALA A 143 18.714 -4.870 -5.925 1.00 8.72 C ATOM 938 O ALA A 143 19.723 -4.222 -6.219 1.00 8.80 O ATOM 939 CB ALA A 143 18.581 -7.319 -6.448 1.00 9.33 C ATOM 940 H ALA A 143 17.343 -7.351 -4.203 1.00 0.00 H ATOM 941 N LEU A 144 17.479 -4.374 -6.068 1.00 8.84 N ATOM 942 CA LEU A 144 17.278 -3.030 -6.598 1.00 9.86 C ATOM 943 C LEU A 144 17.859 -1.960 -5.680 1.00 8.93 C ATOM 944 O LEU A 144 18.366 -0.943 -6.168 1.00 8.75 O ATOM 945 CB LEU A 144 15.794 -2.775 -6.861 1.00 10.88 C ATOM 946 CG LEU A 144 15.460 -1.458 -7.567 1.00 11.66 C ATOM 947 CD1 LEU A 144 16.181 -1.350 -8.909 1.00 13.20 C ATOM 948 CD2 LEU A 144 13.959 -1.342 -7.754 1.00 12.57 C ATOM 949 H LEU A 144 16.657 -4.951 -5.799 1.00 0.00 H ATOM 950 N SER A 145 17.799 -2.168 -4.358 1.00 8.41 N ATOM 951 CA SER A 145 18.458 -1.244 -3.438 1.00 8.10 C ATOM 952 C SER A 145 19.964 -1.225 -3.659 1.00 8.03 C ATOM 953 O SER A 145 20.590 -0.159 -3.629 1.00 8.60 O ATOM 954 CB SER A 145 18.162 -1.609 -1.983 1.00 8.55 C ATOM 955 OG SER A 145 16.777 -1.665 -1.708 1.00 8.41 O ATOM 956 HG SER A 145 16.370 -0.781 -1.889 1.00 0.00 H ATOM 957 H SER A 145 17.282 -2.990 -3.985 1.00 0.00 H ATOM 958 N ASN A 146 20.570 -2.396 -3.882 1.00 8.11 N ATOM 959 CA ASN A 146 22.010 -2.412 -4.120 1.00 8.52 C ATOM 960 C ASN A 146 22.352 -1.786 -5.461 1.00 9.12 C ATOM 961 O ASN A 146 23.388 -1.127 -5.590 1.00 9.41 O ATOM 962 CB ASN A 146 22.560 -3.830 -4.011 1.00 8.37 C ATOM 963 CG ASN A 146 22.567 -4.322 -2.588 1.00 7.87 C ATOM 964 OD1 ASN A 146 22.654 -3.523 -1.644 1.00 8.26 O ATOM 965 ND2 ASN A 146 22.451 -5.636 -2.413 1.00 8.04 N ATOM 966 HD22 ASN A 146 22.381 -6.266 -3.237 1.00 0.00 H ATOM 967 HD21 ASN A 146 22.430 -6.033 -1.452 1.00 0.00 H ATOM 968 H ASN A 146 20.024 -3.281 -3.886 1.00 0.00 H ATOM 969 N GLN A 147 21.474 -1.946 -6.447 1.00 9.26 N ATOM 970 CA GLN A 147 21.656 -1.266 -7.726 1.00 9.97 C ATOM 971 C GLN A 147 21.610 0.248 -7.560 1.00 9.74 C ATOM 972 O GLN A 147 22.425 0.970 -8.145 1.00 10.54 O ATOM 973 CB GLN A 147 20.567 -1.724 -8.692 1.00 11.73 C ATOM 974 CG GLN A 147 20.628 -1.071 -10.065 1.00 13.47 C ATOM 975 CD GLN A 147 19.433 -1.444 -10.917 1.00 15.28 C ATOM 976 OE1 GLN A 147 19.140 -2.624 -11.108 1.00 16.07 O ATOM 977 NE2 GLN A 147 18.730 -0.436 -11.431 1.00 16.06 N ATOM 978 HE22 GLN A 147 19.015 0.546 -11.243 1.00 0.00 H ATOM 979 HE21 GLN A 147 17.896 -0.631 -12.021 1.00 0.00 H ATOM 980 H GLN A 147 20.648 -2.562 -6.305 1.00 0.00 H ATOM 981 N LEU A 148 20.652 0.745 -6.770 1.00 9.74 N ATOM 982 CA LEU A 148 20.468 2.178 -6.570 1.00 10.32 C ATOM 983 C LEU A 148 21.501 2.790 -5.636 1.00 10.32 C ATOM 984 O LEU A 148 21.747 4.003 -5.716 1.00 11.78 O ATOM 985 CB LEU A 148 19.080 2.448 -5.987 1.00 10.94 C ATOM 986 CG LEU A 148 17.873 2.212 -6.899 1.00 11.95 C ATOM 987 CD1 LEU A 148 16.576 2.244 -6.111 1.00 12.61 C ATOM 988 CD2 LEU A 148 17.854 3.233 -8.023 1.00 13.82 C ATOM 989 H LEU A 148 20.015 0.085 -6.280 1.00 0.00 H ATOM 990 N ALA A 149 22.085 1.990 -4.747 1.00 10.25 N ATOM 991 CA ALA A 149 22.911 2.517 -3.661 1.00 11.31 C ATOM 992 C ALA A 149 23.984 3.493 -4.117 1.00 11.04 C ATOM 993 O ALA A 149 24.051 4.603 -3.563 1.00 10.68 O ATOM 994 CB ALA A 149 23.471 1.365 -2.812 1.00 12.16 C ATOM 995 H ALA A 149 21.950 0.962 -4.827 1.00 0.00 H ATOM 996 N PRO A 150 24.832 3.174 -5.101 1.00 11.48 N ATOM 997 CA PRO A 150 25.871 4.143 -5.490 1.00 13.16 C ATOM 998 C PRO A 150 25.313 5.501 -5.895 1.00 13.59 C ATOM 999 O PRO A 150 25.806 6.531 -5.412 1.00 15.44 O ATOM 1000 CB PRO A 150 26.601 3.421 -6.630 1.00 13.73 C ATOM 1001 CG PRO A 150 26.364 1.957 -6.359 1.00 14.52 C ATOM 1002 CD PRO A 150 24.961 1.904 -5.841 1.00 12.63 C ATOM 1003 N GLN A 151 24.269 5.532 -6.735 1.00 13.17 N ATOM 1004 CA GLN A 151 23.691 6.808 -7.163 1.00 13.97 C ATOM 1005 C GLN A 151 23.037 7.538 -5.994 1.00 13.79 C ATOM 1006 O GLN A 151 23.077 8.775 -5.923 1.00 14.09 O ATOM 1007 CB GLN A 151 22.682 6.581 -8.304 1.00 15.87 C ATOM 1008 CG GLN A 151 23.295 6.326 -9.696 1.00 17.61 C ATOM 1009 CD GLN A 151 22.269 5.935 -10.775 1.00 19.09 C ATOM 1010 OE1 GLN A 151 21.070 5.823 -10.514 1.00 21.27 O ATOM 1011 NE2 GLN A 151 22.750 5.733 -11.994 1.00 17.46 N ATOM 1012 HE22 GLN A 151 23.769 5.837 -12.175 1.00 0.00 H ATOM 1013 HE21 GLN A 151 22.108 5.470 -12.769 1.00 0.00 H ATOM 1014 H GLN A 151 23.865 4.641 -7.087 1.00 0.00 H ATOM 1015 N GLU A 152 22.424 6.795 -5.071 1.00 12.73 N ATOM 1016 CA GLU A 152 21.774 7.399 -3.918 1.00 12.88 C ATOM 1017 C GLU A 152 22.760 7.865 -2.861 1.00 13.66 C ATOM 1018 O GLU A 152 22.345 8.518 -1.899 1.00 15.50 O ATOM 1019 CB GLU A 152 20.797 6.405 -3.289 1.00 12.54 C ATOM 1020 CG GLU A 152 19.629 6.021 -4.182 1.00 13.81 C ATOM 1021 CD GLU A 152 18.732 7.199 -4.505 1.00 15.60 C ATOM 1022 OE1 GLU A 152 18.612 8.113 -3.661 1.00 15.89 O ATOM 1023 OE2 GLU A 152 18.166 7.223 -5.619 1.00 17.08 O ATOM 1024 H GLU A 152 22.410 5.761 -5.178 1.00 0.00 H ATOM 1025 N GLY A 153 24.040 7.540 -3.000 1.00 12.96 N ATOM 1026 CA GLY A 153 25.017 7.910 -2.002 1.00 12.69 C ATOM 1027 C GLY A 153 25.134 6.944 -0.846 1.00 12.63 C ATOM 1028 O GLY A 153 25.660 7.322 0.205 1.00 13.41 O ATOM 1029 H GLY A 153 24.344 7.010 -3.842 1.00 0.00 H ATOM 1030 N MET A 154 24.641 5.710 -0.994 1.00 11.28 N ATOM 1031 CA MET A 154 24.759 4.679 0.029 1.00 11.31 C ATOM 1032 C MET A 154 25.866 3.700 -0.344 1.00 10.93 C ATOM 1033 O MET A 154 26.183 3.512 -1.520 1.00 12.75 O ATOM 1034 CB MET A 154 23.468 3.863 0.162 1.00 12.19 C ATOM 1035 CG MET A 154 22.194 4.647 0.387 1.00 13.35 C ATOM 1036 SD MET A 154 22.173 5.607 1.897 1.00 13.43 S ATOM 1037 CE MET A 154 21.787 7.199 1.168 1.00 15.45 C ATOM 1038 H MET A 154 24.151 5.475 -1.880 1.00 0.00 H ATOM 1039 N VAL A 155 26.431 3.058 0.674 1.00 9.55 N ATOM 1040 CA VAL A 155 27.230 1.854 0.475 1.00 9.39 C ATOM 1041 C VAL A 155 26.265 0.685 0.296 1.00 8.87 C ATOM 1042 O VAL A 155 25.314 0.523 1.071 1.00 9.95 O ATOM 1043 CB VAL A 155 28.169 1.633 1.675 1.00 10.99 C ATOM 1044 CG1 VAL A 155 28.894 0.307 1.557 1.00 12.06 C ATOM 1045 CG2 VAL A 155 29.167 2.778 1.791 1.00 11.47 C ATOM 1046 H VAL A 155 26.300 3.424 1.638 1.00 0.00 H ATOM 1047 N ALA A 156 26.482 -0.117 -0.739 1.00 8.39 N ATOM 1048 CA ALA A 156 25.607 -1.259 -0.988 1.00 8.48 C ATOM 1049 C ALA A 156 25.751 -2.318 0.104 1.00 8.02 C ATOM 1050 O ALA A 156 26.811 -2.480 0.711 1.00 8.27 O ATOM 1051 CB ALA A 156 25.928 -1.905 -2.340 1.00 8.96 C ATOM 1052 H ALA A 156 27.281 0.069 -1.378 1.00 0.00 H ATOM 1053 N ALA A 157 24.671 -3.054 0.345 1.00 7.53 N ATOM 1054 CA ALA A 157 24.792 -4.247 1.163 1.00 7.65 C ATOM 1055 C ALA A 157 25.633 -5.283 0.426 1.00 7.62 C ATOM 1056 O ALA A 157 25.793 -5.234 -0.797 1.00 8.53 O ATOM 1057 CB ALA A 157 23.410 -4.826 1.458 1.00 8.46 C ATOM 1058 H ALA A 157 23.749 -2.778 -0.048 1.00 0.00 H ATOM 1059 N GLN A 158 26.165 -6.238 1.187 1.00 7.94 N ATOM 1060 CA GLN A 158 27.033 -7.259 0.615 1.00 9.16 C ATOM 1061 C GLN A 158 26.273 -8.305 -0.185 1.00 8.92 C ATOM 1062 O GLN A 158 26.875 -8.971 -1.034 1.00 9.82 O ATOM 1063 CB GLN A 158 27.808 -7.964 1.722 1.00 10.76 C ATOM 1064 CG GLN A 158 28.832 -7.091 2.405 1.00 13.15 C ATOM 1065 CD GLN A 158 29.237 -7.640 3.755 1.00 15.10 C ATOM 1066 OE1 GLN A 158 28.521 -8.447 4.345 1.00 15.63 O ATOM 1067 NE2 GLN A 158 30.386 -7.208 4.248 1.00 16.31 N ATOM 1068 HE22 GLN A 158 30.958 -6.525 3.712 1.00 0.00 H ATOM 1069 HE21 GLN A 158 30.718 -7.552 5.172 1.00 0.00 H ATOM 1070 H GLN A 158 25.957 -6.255 2.206 1.00 0.00 H ATOM 1071 N HIS A 159 24.979 -8.475 0.059 1.00 7.82 N ATOM 1072 CA HIS A 159 24.198 -9.535 -0.558 1.00 8.10 C ATOM 1073 C HIS A 159 22.881 -8.967 -1.049 1.00 8.02 C ATOM 1074 O HIS A 159 22.285 -8.099 -0.401 1.00 8.58 O ATOM 1075 CB HIS A 159 23.933 -10.655 0.440 1.00 8.91 C ATOM 1076 CG HIS A 159 25.177 -11.200 1.067 1.00 10.04 C ATOM 1077 ND1 HIS A 159 26.026 -12.060 0.404 1.00 12.28 N ATOM 1078 CD2 HIS A 159 25.727 -10.990 2.285 1.00 11.13 C ATOM 1079 CE1 HIS A 159 27.041 -12.363 1.193 1.00 12.45 C ATOM 1080 NE2 HIS A 159 26.885 -11.726 2.339 1.00 12.19 N ATOM 1081 H HIS A 159 24.505 -7.824 0.718 1.00 0.00 H ATOM 1082 N SER A 160 22.433 -9.460 -2.201 1.00 8.00 N ATOM 1083 CA SER A 160 21.201 -9.008 -2.828 1.00 7.98 C ATOM 1084 C SER A 160 20.089 -10.029 -2.657 1.00 8.49 C ATOM 1085 O SER A 160 20.277 -11.220 -2.933 1.00 9.15 O ATOM 1086 CB SER A 160 21.416 -8.773 -4.318 1.00 8.86 C ATOM 1087 OG SER A 160 22.188 -7.608 -4.536 1.00 10.24 O ATOM 1088 HG SER A 160 22.315 -7.475 -5.509 1.00 0.00 H ATOM 1089 H SER A 160 22.988 -10.201 -2.674 1.00 0.00 H ATOM 1090 N LEU A 161 18.928 -9.544 -2.235 1.00 8.48 N ATOM 1091 CA LEU A 161 17.713 -10.337 -2.169 1.00 8.74 C ATOM 1092 C LEU A 161 16.957 -10.215 -3.480 1.00 9.45 C ATOM 1093 O LEU A 161 16.901 -9.141 -4.086 1.00 10.33 O ATOM 1094 CB LEU A 161 16.812 -9.813 -1.049 1.00 9.23 C ATOM 1095 CG LEU A 161 17.404 -9.749 0.361 1.00 9.59 C ATOM 1096 CD1 LEU A 161 16.417 -9.123 1.335 1.00 10.81 C ATOM 1097 CD2 LEU A 161 17.838 -11.139 0.834 1.00 10.05 C ATOM 1098 H LEU A 161 18.886 -8.548 -1.937 1.00 0.00 H ATOM 1099 N THR A 162 16.361 -11.313 -3.914 1.00 10.72 N ATOM 1100 CA THR A 162 15.421 -11.232 -5.017 1.00 12.75 C ATOM 1101 C THR A 162 14.083 -11.794 -4.572 1.00 12.04 C ATOM 1102 O THR A 162 13.986 -12.502 -3.567 1.00 12.61 O ATOM 1103 CB THR A 162 15.931 -11.939 -6.269 1.00 14.76 C ATOM 1104 OG1 THR A 162 16.035 -13.339 -6.011 1.00 15.13 O ATOM 1105 CG2 THR A 162 17.301 -11.396 -6.662 1.00 16.21 C ATOM 1106 HG1 THR A 162 16.366 -13.799 -6.823 1.00 0.00 H ATOM 1107 H THR A 162 16.565 -12.230 -3.467 1.00 0.00 H ATOM 1108 N PHE A 163 13.042 -11.438 -5.312 1.00 13.62 N ATOM 1109 CA PHE A 163 11.679 -11.657 -4.860 1.00 14.84 C ATOM 1110 C PHE A 163 10.878 -12.381 -5.924 1.00 16.47 C ATOM 1111 O PHE A 163 11.033 -12.112 -7.117 1.00 16.99 O ATOM 1112 CB PHE A 163 11.014 -10.321 -4.487 1.00 14.26 C ATOM 1113 CG PHE A 163 11.682 -9.653 -3.328 1.00 12.86 C ATOM 1114 CD1 PHE A 163 12.786 -8.841 -3.524 1.00 12.76 C ATOM 1115 CD2 PHE A 163 11.263 -9.910 -2.037 1.00 12.93 C ATOM 1116 CE1 PHE A 163 13.437 -8.266 -2.451 1.00 12.67 C ATOM 1117 CE2 PHE A 163 11.906 -9.344 -0.960 1.00 12.28 C ATOM 1118 CZ PHE A 163 12.997 -8.519 -1.165 1.00 12.69 C ATOM 1119 H PHE A 163 13.205 -10.992 -6.237 1.00 0.00 H ATOM 1120 N ALA A 164 10.040 -13.313 -5.479 1.00 17.25 N ATOM 1121 CA ALA A 164 9.135 -14.010 -6.375 1.00 18.46 C ATOM 1122 C ALA A 164 8.003 -13.080 -6.793 1.00 19.85 C ATOM 1123 O ALA A 164 7.844 -11.975 -6.268 1.00 19.74 O ATOM 1124 CB ALA A 164 8.572 -15.257 -5.697 1.00 19.21 C ATOM 1125 H ALA A 164 10.033 -13.548 -4.466 1.00 0.00 H ATOM 1126 N ALA A 165 7.201 -13.545 -7.754 1.00 21.01 N ATOM 1127 CA ALA A 165 6.121 -12.710 -8.262 1.00 21.77 C ATOM 1128 C ALA A 165 5.046 -12.473 -7.212 1.00 21.96 C ATOM 1129 O ALA A 165 4.329 -11.470 -7.282 1.00 23.28 O ATOM 1130 CB ALA A 165 5.525 -13.320 -9.527 1.00 22.62 C ATOM 1131 H ALA A 165 7.347 -14.500 -8.139 1.00 0.00 H ATOM 1132 N ASN A 166 4.910 -13.376 -6.238 1.00 21.98 N ATOM 1133 CA ASN A 166 3.967 -13.157 -5.148 1.00 22.17 C ATOM 1134 C ASN A 166 4.477 -12.169 -4.102 1.00 20.75 C ATOM 1135 O ASN A 166 3.756 -11.889 -3.138 1.00 20.91 O ATOM 1136 CB ASN A 166 3.543 -14.482 -4.499 1.00 23.14 C ATOM 1137 CG ASN A 166 4.663 -15.157 -3.724 1.00 23.43 C ATOM 1138 OD1 ASN A 166 5.798 -14.684 -3.690 1.00 22.83 O ATOM 1139 ND2 ASN A 166 4.339 -16.283 -3.097 1.00 23.83 N ATOM 1140 HD22 ASN A 166 3.367 -16.648 -3.152 1.00 0.00 H ATOM 1141 HD21 ASN A 166 5.058 -16.800 -2.551 1.00 0.00 H ATOM 1142 H ASN A 166 5.482 -14.244 -6.257 1.00 0.00 H ATOM 1143 N GLY A 167 5.698 -11.645 -4.260 1.00 19.05 N ATOM 1144 CA GLY A 167 6.252 -10.641 -3.377 1.00 18.00 C ATOM 1145 C GLY A 167 7.174 -11.181 -2.305 1.00 16.30 C ATOM 1146 O GLY A 167 7.968 -10.412 -1.742 1.00 15.62 O ATOM 1147 H GLY A 167 6.278 -11.976 -5.057 1.00 0.00 H ATOM 1148 N TRP A 168 7.090 -12.473 -2.003 1.00 15.70 N ATOM 1149 CA TRP A 168 7.911 -13.043 -0.949 1.00 15.22 C ATOM 1150 C TRP A 168 9.341 -13.218 -1.433 1.00 13.69 C ATOM 1151 O TRP A 168 9.589 -13.549 -2.598 1.00 14.18 O ATOM 1152 CB TRP A 168 7.332 -14.378 -0.484 1.00 15.24 C ATOM 1153 CG TRP A 168 6.075 -14.214 0.334 1.00 16.09 C ATOM 1154 CD1 TRP A 168 4.809 -14.583 -0.019 1.00 17.06 C ATOM 1155 CD2 TRP A 168 5.970 -13.613 1.631 1.00 16.67 C ATOM 1156 NE1 TRP A 168 3.927 -14.257 0.981 1.00 17.60 N ATOM 1157 CE2 TRP A 168 4.613 -13.659 2.004 1.00 17.04 C ATOM 1158 CE3 TRP A 168 6.892 -13.043 2.513 1.00 16.79 C ATOM 1159 CZ2 TRP A 168 4.154 -13.161 3.222 1.00 17.76 C ATOM 1160 CZ3 TRP A 168 6.433 -12.545 3.724 1.00 17.20 C ATOM 1161 CH2 TRP A 168 5.078 -12.605 4.063 1.00 17.66 C ATOM 1162 HE1 TRP A 168 2.903 -14.435 0.964 1.00 0.00 H ATOM 1163 H TRP A 168 6.430 -13.082 -2.527 1.00 0.00 H ATOM 1164 N VAL A 169 10.291 -12.983 -0.530 1.00 12.59 N ATOM 1165 CA VAL A 169 11.692 -13.138 -0.890 1.00 11.78 C ATOM 1166 C VAL A 169 11.931 -14.567 -1.353 1.00 12.25 C ATOM 1167 O VAL A 169 11.305 -15.519 -0.861 1.00 12.07 O ATOM 1168 CB VAL A 169 12.596 -12.739 0.291 1.00 11.07 C ATOM 1169 CG1 VAL A 169 12.460 -13.714 1.462 1.00 11.75 C ATOM 1170 CG2 VAL A 169 14.045 -12.604 -0.159 1.00 10.61 C ATOM 1171 H VAL A 169 10.031 -12.689 0.433 1.00 0.00 H ATOM 1172 N GLU A 170 12.787 -14.718 -2.350 1.00 12.06 N ATOM 1173 CA GLU A 170 13.221 -16.051 -2.731 1.00 12.47 C ATOM 1174 C GLU A 170 14.084 -16.579 -1.596 1.00 11.90 C ATOM 1175 O GLU A 170 15.117 -15.971 -1.288 1.00 11.59 O ATOM 1176 CB GLU A 170 14.017 -15.999 -4.034 1.00 15.35 C ATOM 1177 CG GLU A 170 13.174 -15.719 -5.273 1.00 18.47 C ATOM 1178 CD GLU A 170 12.285 -16.891 -5.669 1.00 22.02 C ATOM 1179 OE1 GLU A 170 11.460 -16.722 -6.595 1.00 23.47 O ATOM 1180 OE2 GLU A 170 12.407 -17.983 -5.070 1.00 23.30 O ATOM 1181 H GLU A 170 13.148 -13.886 -2.859 1.00 0.00 H ATOM 1182 N PRO A 171 13.697 -17.675 -0.936 1.00 12.76 N ATOM 1183 CA PRO A 171 14.411 -18.092 0.281 1.00 13.13 C ATOM 1184 C PRO A 171 15.878 -18.384 0.060 1.00 12.83 C ATOM 1185 O PRO A 171 16.684 -18.178 0.973 1.00 13.24 O ATOM 1186 CB PRO A 171 13.642 -19.341 0.735 1.00 14.13 C ATOM 1187 CG PRO A 171 12.806 -19.741 -0.440 1.00 15.90 C ATOM 1188 CD PRO A 171 12.499 -18.489 -1.180 1.00 14.20 C ATOM 1189 N ALA A 172 16.257 -18.839 -1.136 1.00 12.31 N ATOM 1190 CA ALA A 172 17.663 -19.088 -1.417 1.00 12.80 C ATOM 1191 C ALA A 172 18.514 -17.829 -1.306 1.00 12.40 C ATOM 1192 O ALA A 172 19.727 -17.935 -1.098 1.00 14.07 O ATOM 1193 CB ALA A 172 17.822 -19.717 -2.800 1.00 13.81 C ATOM 1194 H ALA A 172 15.543 -19.017 -1.871 1.00 0.00 H ATOM 1195 N THR A 173 17.922 -16.643 -1.435 1.00 10.76 N ATOM 1196 CA THR A 173 18.699 -15.413 -1.351 1.00 10.53 C ATOM 1197 C THR A 173 18.710 -14.821 0.047 1.00 10.32 C ATOM 1198 O THR A 173 19.408 -13.833 0.278 1.00 10.54 O ATOM 1199 CB THR A 173 18.226 -14.364 -2.376 1.00 11.15 C ATOM 1200 OG1 THR A 173 16.958 -13.812 -1.991 1.00 10.92 O ATOM 1201 CG2 THR A 173 18.129 -14.968 -3.764 1.00 11.59 C ATOM 1202 HG1 THR A 173 16.285 -14.537 -1.941 1.00 0.00 H ATOM 1203 H THR A 173 16.896 -16.594 -1.597 1.00 0.00 H ATOM 1204 N ALA A 174 17.973 -15.411 0.987 1.00 10.51 N ATOM 1205 CA ALA A 174 17.896 -14.939 2.370 1.00 11.84 C ATOM 1206 C ALA A 174 18.300 -16.056 3.330 1.00 11.86 C ATOM 1207 O ALA A 174 17.522 -16.449 4.211 1.00 12.44 O ATOM 1208 CB ALA A 174 16.491 -14.432 2.685 1.00 12.77 C ATOM 1209 H ALA A 174 17.422 -16.253 0.724 1.00 0.00 H ATOM 1210 N PRO A 175 19.521 -16.579 3.202 1.00 10.91 N ATOM 1211 CA PRO A 175 19.938 -17.670 4.088 1.00 11.44 C ATOM 1212 C PRO A 175 20.001 -17.222 5.538 1.00 10.50 C ATOM 1213 O PRO A 175 20.455 -16.119 5.851 1.00 9.83 O ATOM 1214 CB PRO A 175 21.334 -18.024 3.567 1.00 13.09 C ATOM 1215 CG PRO A 175 21.839 -16.755 2.971 1.00 13.23 C ATOM 1216 CD PRO A 175 20.632 -16.111 2.351 1.00 11.78 C ATOM 1217 N ASN A 176 19.529 -18.104 6.419 1.00 11.17 N ATOM 1218 CA ASN A 176 19.661 -17.944 7.860 1.00 11.32 C ATOM 1219 C ASN A 176 18.937 -16.712 8.379 1.00 10.97 C ATOM 1220 O ASN A 176 19.342 -16.115 9.373 1.00 10.86 O ATOM 1221 CB ASN A 176 21.125 -18.004 8.293 1.00 13.31 C ATOM 1222 CG ASN A 176 21.754 -19.335 7.952 1.00 15.03 C ATOM 1223 OD1 ASN A 176 21.316 -20.364 8.441 1.00 16.47 O ATOM 1224 ND2 ASN A 176 22.749 -19.327 7.077 1.00 17.20 N ATOM 1225 HD22 ASN A 176 23.090 -18.426 6.686 1.00 0.00 H ATOM 1226 HD21 ASN A 176 23.189 -20.222 6.781 1.00 0.00 H ATOM 1227 H ASN A 176 19.042 -18.949 6.059 1.00 0.00 H ATOM 1228 N PHE A 177 17.839 -16.340 7.722 1.00 10.40 N ATOM 1229 CA PHE A 177 17.048 -15.210 8.179 1.00 10.17 C ATOM 1230 C PHE A 177 16.202 -15.524 9.406 1.00 10.86 C ATOM 1231 O PHE A 177 15.607 -14.598 9.961 1.00 9.83 O ATOM 1232 CB PHE A 177 16.185 -14.634 7.048 1.00 10.61 C ATOM 1233 CG PHE A 177 16.846 -13.495 6.294 1.00 10.59 C ATOM 1234 CD1 PHE A 177 18.158 -13.604 5.852 1.00 10.12 C ATOM 1235 CD2 PHE A 177 16.164 -12.308 6.044 1.00 11.91 C ATOM 1236 CE1 PHE A 177 18.773 -12.567 5.158 1.00 10.46 C ATOM 1237 CE2 PHE A 177 16.773 -11.262 5.355 1.00 11.99 C ATOM 1238 CZ PHE A 177 18.078 -11.395 4.913 1.00 11.26 C ATOM 1239 H PHE A 177 17.545 -16.864 6.873 1.00 0.00 H ATOM 1240 N GLY A 178 16.153 -16.777 9.862 1.00 12.82 N ATOM 1241 CA GLY A 178 15.397 -17.103 11.052 1.00 13.80 C ATOM 1242 C GLY A 178 13.960 -16.623 10.963 1.00 13.92 C ATOM 1243 O GLY A 178 13.257 -16.892 9.988 1.00 14.93 O ATOM 1244 H GLY A 178 16.664 -17.528 9.356 1.00 0.00 H ATOM 1245 N PRO A 179 13.502 -15.879 11.972 1.00 13.32 N ATOM 1246 CA PRO A 179 12.103 -15.435 11.994 1.00 12.67 C ATOM 1247 C PRO A 179 11.792 -14.259 11.080 1.00 11.87 C ATOM 1248 O PRO A 179 10.625 -13.865 10.997 1.00 13.29 O ATOM 1249 CB PRO A 179 11.893 -15.053 13.467 1.00 14.02 C ATOM 1250 CG PRO A 179 13.241 -14.589 13.908 1.00 14.67 C ATOM 1251 CD PRO A 179 14.231 -15.470 13.186 1.00 14.19 C ATOM 1252 N LEU A 180 12.773 -13.681 10.387 1.00 11.52 N ATOM 1253 CA LEU A 180 12.497 -12.532 9.529 1.00 11.59 C ATOM 1254 C LEU A 180 11.836 -12.998 8.241 1.00 11.36 C ATOM 1255 O LEU A 180 12.403 -13.813 7.506 1.00 14.00 O ATOM 1256 CB LEU A 180 13.778 -11.778 9.194 1.00 12.67 C ATOM 1257 CG LEU A 180 14.617 -11.273 10.360 1.00 13.42 C ATOM 1258 CD1 LEU A 180 15.742 -10.404 9.829 1.00 14.07 C ATOM 1259 CD2 LEU A 180 13.762 -10.505 11.344 1.00 14.15 C ATOM 1260 H LEU A 180 13.742 -14.051 10.458 1.00 0.00 H ATOM 1261 N LYS A 181 10.656 -12.467 7.956 1.00 10.12 N ATOM 1262 CA LYS A 181 9.886 -12.837 6.774 1.00 11.27 C ATOM 1263 C LYS A 181 9.834 -11.612 5.874 1.00 10.08 C ATOM 1264 O LYS A 181 9.110 -10.657 6.170 1.00 11.03 O ATOM 1265 CB LYS A 181 8.479 -13.249 7.186 1.00 14.10 C ATOM 1266 CG LYS A 181 8.382 -14.670 7.692 1.00 18.37 C ATOM 1267 CD LYS A 181 6.940 -15.147 7.705 1.00 21.67 C ATOM 1268 CE LYS A 181 6.188 -14.710 6.464 1.00 23.55 C ATOM 1269 NZ LYS A 181 6.377 -15.653 5.324 1.00 24.39 N ATOM 1270 HZ1 LYS A 181 7.388 -15.708 5.085 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 6.031 -16.596 5.595 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 5.843 -15.310 4.500 1.00 0.00 H ATOM 1273 H LYS A 181 10.262 -11.755 8.604 1.00 0.00 H ATOM 1274 N VAL A 182 10.601 -11.625 4.788 1.00 10.12 N ATOM 1275 CA VAL A 182 10.833 -10.427 3.989 1.00 9.90 C ATOM 1276 C VAL A 182 9.905 -10.423 2.782 1.00 9.80 C ATOM 1277 O VAL A 182 9.841 -11.403 2.031 1.00 10.50 O ATOM 1278 CB VAL A 182 12.308 -10.313 3.574 1.00 10.54 C ATOM 1279 CG1 VAL A 182 12.558 -8.997 2.847 1.00 11.34 C ATOM 1280 CG2 VAL A 182 13.213 -10.432 4.798 1.00 11.98 C ATOM 1281 H VAL A 182 11.050 -12.518 4.499 1.00 0.00 H ATOM 1282 N PHE A 183 9.205 -9.306 2.586 1.00 10.08 N ATOM 1283 CA PHE A 183 8.170 -9.175 1.574 1.00 11.01 C ATOM 1284 C PHE A 183 8.354 -7.872 0.802 1.00 9.80 C ATOM 1285 O PHE A 183 8.483 -6.793 1.396 1.00 10.17 O ATOM 1286 CB PHE A 183 6.798 -9.209 2.249 1.00 12.25 C ATOM 1287 CG PHE A 183 5.649 -9.095 1.302 1.00 12.65 C ATOM 1288 CD1 PHE A 183 5.276 -10.170 0.506 1.00 13.45 C ATOM 1289 CD2 PHE A 183 4.926 -7.914 1.213 1.00 12.90 C ATOM 1290 CE1 PHE A 183 4.208 -10.062 -0.364 1.00 14.16 C ATOM 1291 CE2 PHE A 183 3.859 -7.806 0.353 1.00 13.28 C ATOM 1292 CZ PHE A 183 3.501 -8.877 -0.441 1.00 14.10 C ATOM 1293 H PHE A 183 9.410 -8.484 3.189 1.00 0.00 H ATOM 1294 N TYR A 184 8.359 -7.976 -0.525 1.00 10.29 N ATOM 1295 CA TYR A 184 8.359 -6.809 -1.394 1.00 10.70 C ATOM 1296 C TYR A 184 6.915 -6.515 -1.769 1.00 11.79 C ATOM 1297 O TYR A 184 6.314 -7.297 -2.519 1.00 12.91 O ATOM 1298 CB TYR A 184 9.187 -7.066 -2.651 1.00 11.50 C ATOM 1299 CG TYR A 184 9.083 -5.938 -3.656 1.00 12.25 C ATOM 1300 CD1 TYR A 184 9.506 -4.653 -3.328 1.00 13.06 C ATOM 1301 CD2 TYR A 184 8.537 -6.148 -4.915 1.00 13.90 C ATOM 1302 CE1 TYR A 184 9.408 -3.616 -4.234 1.00 14.01 C ATOM 1303 CE2 TYR A 184 8.436 -5.111 -5.831 1.00 15.19 C ATOM 1304 CZ TYR A 184 8.868 -3.847 -5.484 1.00 15.18 C ATOM 1305 OH TYR A 184 8.765 -2.819 -6.398 1.00 15.98 O ATOM 1306 HH TYR A 184 9.116 -1.985 -5.996 1.00 0.00 H ATOM 1307 H TYR A 184 8.363 -8.923 -0.955 1.00 0.00 H ATOM 1308 N PRO A 185 6.317 -5.427 -1.284 1.00 11.81 N ATOM 1309 CA PRO A 185 4.887 -5.181 -1.512 1.00 12.77 C ATOM 1310 C PRO A 185 4.567 -4.479 -2.821 1.00 12.92 C ATOM 1311 O PRO A 185 3.383 -4.271 -3.114 1.00 13.18 O ATOM 1312 CB PRO A 185 4.539 -4.262 -0.334 1.00 12.74 C ATOM 1313 CG PRO A 185 5.756 -3.438 -0.174 1.00 12.02 C ATOM 1314 CD PRO A 185 6.929 -4.352 -0.478 1.00 11.16 C ATOM 1315 N GLY A 186 5.584 -4.109 -3.592 1.00 12.71 N ATOM 1316 CA GLY A 186 5.416 -3.276 -4.756 1.00 13.14 C ATOM 1317 C GLY A 186 5.957 -1.885 -4.499 1.00 13.23 C ATOM 1318 O GLY A 186 6.239 -1.501 -3.359 1.00 13.23 O ATOM 1319 H GLY A 186 6.541 -4.434 -3.345 1.00 0.00 H ATOM 1320 N PRO A 187 6.107 -1.098 -5.559 1.00 13.62 N ATOM 1321 CA PRO A 187 6.657 0.252 -5.392 1.00 14.17 C ATOM 1322 C PRO A 187 5.687 1.158 -4.650 1.00 13.43 C ATOM 1323 O PRO A 187 4.466 1.066 -4.811 1.00 14.32 O ATOM 1324 CB PRO A 187 6.894 0.727 -6.830 1.00 15.09 C ATOM 1325 CG PRO A 187 6.001 -0.106 -7.670 1.00 15.81 C ATOM 1326 CD PRO A 187 5.774 -1.409 -6.960 1.00 14.54 C ATOM 1327 N GLY A 188 6.244 2.033 -3.822 1.00 12.60 N ATOM 1328 CA GLY A 188 5.435 2.943 -3.034 1.00 12.31 C ATOM 1329 C GLY A 188 6.215 4.171 -2.622 1.00 12.19 C ATOM 1330 O GLY A 188 6.361 5.110 -3.409 1.00 12.39 O ATOM 1331 H GLY A 188 7.280 2.067 -3.737 1.00 0.00 H ATOM 1332 N HIS A 189 6.722 4.181 -1.386 1.00 11.54 N ATOM 1333 CA HIS A 189 7.624 5.252 -0.971 1.00 11.46 C ATOM 1334 C HIS A 189 8.818 5.346 -1.913 1.00 10.91 C ATOM 1335 O HIS A 189 9.246 6.445 -2.285 1.00 11.43 O ATOM 1336 CB HIS A 189 8.083 5.021 0.471 1.00 11.85 C ATOM 1337 CG HIS A 189 9.249 5.871 0.875 1.00 11.89 C ATOM 1338 ND1 HIS A 189 9.128 7.213 1.170 1.00 12.40 N ATOM 1339 CD2 HIS A 189 10.561 5.572 1.019 1.00 11.85 C ATOM 1340 CE1 HIS A 189 10.318 7.703 1.476 1.00 11.80 C ATOM 1341 NE2 HIS A 189 11.204 6.725 1.397 1.00 12.15 N ATOM 1342 H HIS A 189 6.474 3.424 -0.718 1.00 0.00 H ATOM 1343 N THR A 190 9.372 4.199 -2.299 1.00 10.94 N ATOM 1344 CA THR A 190 10.378 4.114 -3.347 1.00 10.23 C ATOM 1345 C THR A 190 10.090 2.881 -4.196 1.00 10.02 C ATOM 1346 O THR A 190 9.236 2.050 -3.869 1.00 11.69 O ATOM 1347 CB THR A 190 11.802 3.998 -2.793 1.00 10.98 C ATOM 1348 OG1 THR A 190 11.880 2.837 -1.961 1.00 11.02 O ATOM 1349 CG2 THR A 190 12.206 5.239 -2.004 1.00 11.92 C ATOM 1350 HG1 THR A 190 12.797 2.754 -1.598 1.00 0.00 H ATOM 1351 H THR A 190 9.071 3.321 -1.829 1.00 0.00 H ATOM 1352 N SER A 191 10.830 2.763 -5.297 1.00 11.46 N ATOM 1353 CA SER A 191 10.687 1.592 -6.152 1.00 12.35 C ATOM 1354 C SER A 191 11.193 0.329 -5.470 1.00 11.73 C ATOM 1355 O SER A 191 10.749 -0.775 -5.807 1.00 12.95 O ATOM 1356 CB SER A 191 11.452 1.816 -7.455 1.00 13.61 C ATOM 1357 OG SER A 191 12.846 1.965 -7.219 1.00 16.45 O ATOM 1358 HG SER A 191 12.998 2.744 -6.627 1.00 0.00 H ATOM 1359 H SER A 191 11.511 3.508 -5.547 1.00 0.00 H ATOM 1360 N ASP A 192 12.121 0.464 -4.521 1.00 10.64 N ATOM 1361 CA ASP A 192 12.818 -0.682 -3.957 1.00 9.54 C ATOM 1362 C ASP A 192 12.370 -1.050 -2.548 1.00 9.63 C ATOM 1363 O ASP A 192 12.924 -1.998 -1.979 1.00 9.59 O ATOM 1364 CB ASP A 192 14.343 -0.463 -3.982 1.00 8.66 C ATOM 1365 CG ASP A 192 14.790 0.742 -3.156 1.00 8.05 C ATOM 1366 OD1 ASP A 192 14.109 1.785 -3.210 1.00 9.47 O ATOM 1367 OD2 ASP A 192 15.856 0.659 -2.503 1.00 8.24 O ATOM 1368 H ASP A 192 12.353 1.417 -4.174 1.00 0.00 H ATOM 1369 N ASN A 193 11.382 -0.353 -1.981 1.00 9.18 N ATOM 1370 CA ASN A 193 11.051 -0.543 -0.572 1.00 9.26 C ATOM 1371 C ASN A 193 10.584 -1.964 -0.280 1.00 8.98 C ATOM 1372 O ASN A 193 9.775 -2.535 -1.015 1.00 9.44 O ATOM 1373 CB ASN A 193 10.053 0.513 -0.047 1.00 10.05 C ATOM 1374 CG ASN A 193 8.769 0.658 -0.886 1.00 10.66 C ATOM 1375 OD1 ASN A 193 8.123 1.711 -0.838 1.00 10.74 O ATOM 1376 ND2 ASN A 193 8.377 -0.384 -1.612 1.00 11.60 N ATOM 1377 HD22 ASN A 193 8.949 -1.253 -1.626 1.00 0.00 H ATOM 1378 HD21 ASN A 193 7.498 -0.331 -2.166 1.00 0.00 H ATOM 1379 H ASN A 193 10.843 0.332 -2.549 1.00 0.00 H ATOM 1380 N ILE A 194 11.114 -2.541 0.797 1.00 8.30 N ATOM 1381 CA ILE A 194 10.718 -3.862 1.260 1.00 8.38 C ATOM 1382 C ILE A 194 10.256 -3.774 2.714 1.00 7.59 C ATOM 1383 O ILE A 194 10.443 -2.763 3.395 1.00 8.28 O ATOM 1384 CB ILE A 194 11.818 -4.926 1.060 1.00 8.66 C ATOM 1385 CG1 ILE A 194 13.083 -4.567 1.847 1.00 8.78 C ATOM 1386 CG2 ILE A 194 12.128 -5.086 -0.420 1.00 9.49 C ATOM 1387 CD1 ILE A 194 14.136 -5.653 1.849 1.00 9.08 C ATOM 1388 H ILE A 194 11.843 -2.025 1.330 1.00 0.00 H ATOM 1389 N THR A 195 9.618 -4.853 3.171 1.00 7.90 N ATOM 1390 CA THR A 195 8.983 -4.910 4.482 1.00 8.26 C ATOM 1391 C THR A 195 9.338 -6.236 5.141 1.00 8.71 C ATOM 1392 O THR A 195 9.784 -7.172 4.476 1.00 9.46 O ATOM 1393 CB THR A 195 7.457 -4.770 4.376 1.00 8.97 C ATOM 1394 OG1 THR A 195 6.920 -5.880 3.644 1.00 9.53 O ATOM 1395 CG2 THR A 195 7.089 -3.468 3.678 1.00 8.72 C ATOM 1396 HG1 THR A 195 7.313 -5.896 2.735 1.00 0.00 H ATOM 1397 H THR A 195 9.571 -5.695 2.562 1.00 0.00 H ATOM 1398 N VAL A 196 9.150 -6.322 6.460 1.00 7.93 N ATOM 1399 CA VAL A 196 9.639 -7.467 7.229 1.00 8.35 C ATOM 1400 C VAL A 196 8.656 -7.791 8.348 1.00 9.23 C ATOM 1401 O VAL A 196 8.351 -6.929 9.175 1.00 10.27 O ATOM 1402 CB VAL A 196 11.034 -7.192 7.839 1.00 8.87 C ATOM 1403 CG1 VAL A 196 11.576 -8.441 8.518 1.00 10.15 C ATOM 1404 CG2 VAL A 196 12.027 -6.669 6.795 1.00 10.00 C ATOM 1405 H VAL A 196 8.645 -5.558 6.952 1.00 0.00 H ATOM 1406 N GLY A 197 8.191 -9.042 8.402 1.00 9.69 N ATOM 1407 CA GLY A 197 7.477 -9.544 9.556 1.00 10.19 C ATOM 1408 C GLY A 197 8.389 -10.387 10.435 1.00 10.83 C ATOM 1409 O GLY A 197 9.393 -10.927 9.978 1.00 10.34 O ATOM 1410 H GLY A 197 8.347 -9.674 7.591 1.00 0.00 H ATOM 1411 N ILE A 198 8.037 -10.479 11.713 1.00 11.72 N ATOM 1412 CA ILE A 198 8.824 -11.225 12.689 1.00 13.00 C ATOM 1413 C ILE A 198 7.995 -12.414 13.153 1.00 13.63 C ATOM 1414 O ILE A 198 7.019 -12.250 13.896 1.00 13.22 O ATOM 1415 CB ILE A 198 9.262 -10.350 13.871 1.00 13.88 C ATOM 1416 CG1 ILE A 198 9.650 -8.946 13.391 1.00 14.08 C ATOM 1417 CG2 ILE A 198 10.418 -11.012 14.609 1.00 14.76 C ATOM 1418 CD1 ILE A 198 10.850 -8.915 12.471 1.00 14.17 C ATOM 1419 H ILE A 198 7.169 -10.002 12.029 1.00 0.00 H ATOM 1420 N ASP A 199 8.390 -13.610 12.719 1.00 14.16 N ATOM 1421 CA ASP A 199 7.700 -14.827 13.118 1.00 15.72 C ATOM 1422 C ASP A 199 7.718 -14.980 14.632 1.00 15.99 C ATOM 1423 O ASP A 199 8.647 -14.539 15.315 1.00 16.25 O ATOM 1424 CB ASP A 199 8.381 -16.038 12.488 1.00 17.33 C ATOM 1425 CG ASP A 199 7.994 -16.226 11.046 1.00 19.14 C ATOM 1426 OD1 ASP A 199 6.969 -15.644 10.645 1.00 20.13 O ATOM 1427 OD2 ASP A 199 8.705 -16.950 10.319 1.00 19.81 O ATOM 1428 H ASP A 199 9.209 -13.675 12.081 1.00 0.00 H ATOM 1429 N GLY A 200 6.675 -15.615 15.159 1.00 16.43 N ATOM 1430 CA GLY A 200 6.565 -15.781 16.589 1.00 17.05 C ATOM 1431 C GLY A 200 6.115 -14.547 17.335 1.00 16.72 C ATOM 1432 O GLY A 200 6.047 -14.583 18.568 1.00 18.02 O ATOM 1433 H GLY A 200 5.933 -15.995 14.537 1.00 0.00 H ATOM 1434 N THR A 201 5.822 -13.450 16.636 1.00 14.95 N ATOM 1435 CA THR A 201 5.370 -12.212 17.252 1.00 13.62 C ATOM 1436 C THR A 201 4.167 -11.691 16.483 1.00 14.04 C ATOM 1437 O THR A 201 3.791 -12.227 15.439 1.00 14.41 O ATOM 1438 CB THR A 201 6.458 -11.127 17.221 1.00 12.12 C ATOM 1439 OG1 THR A 201 6.501 -10.535 15.916 1.00 11.76 O ATOM 1440 CG2 THR A 201 7.826 -11.707 17.581 1.00 12.66 C ATOM 1441 HG1 THR A 201 6.709 -11.233 15.245 1.00 0.00 H ATOM 1442 H THR A 201 5.921 -13.481 15.601 1.00 0.00 H ATOM 1443 N ASP A 202 3.573 -10.618 17.008 1.00 13.35 N ATOM 1444 CA ASP A 202 2.483 -9.916 16.346 1.00 15.18 C ATOM 1445 C ASP A 202 2.966 -8.715 15.543 1.00 12.74 C ATOM 1446 O ASP A 202 2.164 -7.826 15.244 1.00 12.63 O ATOM 1447 CB ASP A 202 1.437 -9.461 17.369 1.00 19.41 C ATOM 1448 CG ASP A 202 1.021 -10.561 18.319 1.00 23.12 C ATOM 1449 OD1 ASP A 202 0.997 -10.301 19.540 1.00 25.00 O ATOM 1450 OD2 ASP A 202 0.705 -11.674 17.846 1.00 24.75 O ATOM 1451 H ASP A 202 3.903 -10.268 17.930 1.00 0.00 H ATOM 1452 N ILE A 203 4.249 -8.676 15.180 1.00 11.52 N ATOM 1453 CA ILE A 203 4.892 -7.477 14.652 1.00 10.59 C ATOM 1454 C ILE A 203 5.138 -7.621 13.153 1.00 9.63 C ATOM 1455 O ILE A 203 5.658 -8.644 12.688 1.00 10.29 O ATOM 1456 CB ILE A 203 6.219 -7.205 15.380 1.00 11.41 C ATOM 1457 CG1 ILE A 203 5.963 -6.877 16.853 1.00 12.43 C ATOM 1458 CG2 ILE A 203 7.002 -6.091 14.687 1.00 11.54 C ATOM 1459 CD1 ILE A 203 7.193 -6.970 17.720 1.00 13.07 C ATOM 1460 H ILE A 203 4.818 -9.541 15.278 1.00 0.00 H ATOM 1461 N ALA A 204 4.812 -6.570 12.401 1.00 9.17 N ATOM 1462 CA ALA A 204 5.235 -6.412 11.017 1.00 9.51 C ATOM 1463 C ALA A 204 5.762 -4.996 10.824 1.00 9.20 C ATOM 1464 O ALA A 204 5.213 -4.042 11.387 1.00 10.21 O ATOM 1465 CB ALA A 204 4.078 -6.686 10.052 1.00 10.17 C ATOM 1466 H ALA A 204 4.225 -5.824 12.825 1.00 0.00 H ATOM 1467 N PHE A 205 6.835 -4.869 10.039 1.00 9.07 N ATOM 1468 CA PHE A 205 7.565 -3.616 9.875 1.00 8.64 C ATOM 1469 C PHE A 205 7.395 -3.111 8.450 1.00 8.54 C ATOM 1470 O PHE A 205 7.812 -3.777 7.494 1.00 9.18 O ATOM 1471 CB PHE A 205 9.045 -3.832 10.179 1.00 8.82 C ATOM 1472 CG PHE A 205 9.893 -2.599 10.029 1.00 8.11 C ATOM 1473 CD1 PHE A 205 9.742 -1.536 10.901 1.00 9.42 C ATOM 1474 CD2 PHE A 205 10.854 -2.510 9.029 1.00 8.64 C ATOM 1475 CE1 PHE A 205 10.532 -0.397 10.784 1.00 9.20 C ATOM 1476 CE2 PHE A 205 11.645 -1.368 8.905 1.00 9.04 C ATOM 1477 CZ PHE A 205 11.487 -0.316 9.787 1.00 8.83 C ATOM 1478 H PHE A 205 7.167 -5.706 9.518 1.00 0.00 H ATOM 1479 N GLY A 206 6.790 -1.935 8.315 1.00 8.33 N ATOM 1480 CA GLY A 206 6.562 -1.317 7.029 1.00 9.18 C ATOM 1481 C GLY A 206 7.637 -0.370 6.545 1.00 9.65 C ATOM 1482 O GLY A 206 7.550 0.116 5.413 1.00 9.58 O ATOM 1483 H GLY A 206 6.467 -1.439 9.170 1.00 0.00 H ATOM 1484 N GLY A 207 8.649 -0.083 7.359 1.00 9.92 N ATOM 1485 CA GLY A 207 9.661 0.877 6.950 1.00 9.77 C ATOM 1486 C GLY A 207 9.028 2.217 6.635 1.00 9.57 C ATOM 1487 O GLY A 207 8.089 2.662 7.304 1.00 9.92 O ATOM 1488 H GLY A 207 8.716 -0.545 8.288 1.00 0.00 H ATOM 1489 N CYS A 208 9.526 2.869 5.586 1.00 9.62 N ATOM 1490 CA CYS A 208 9.015 4.188 5.248 1.00 10.17 C ATOM 1491 C CYS A 208 7.744 4.134 4.414 1.00 10.59 C ATOM 1492 O CYS A 208 7.141 5.186 4.168 1.00 11.91 O ATOM 1493 CB CYS A 208 10.089 5.020 4.549 1.00 8.94 C ATOM 1494 SG CYS A 208 11.606 5.244 5.522 1.00 10.01 S ATOM 1495 H CYS A 208 10.277 2.437 5.011 1.00 0.00 H ATOM 1496 N LEU A 209 7.322 2.939 3.994 1.00 10.68 N ATOM 1497 CA LEU A 209 6.089 2.807 3.224 1.00 10.91 C ATOM 1498 C LEU A 209 4.866 3.203 4.045 1.00 10.63 C ATOM 1499 O LEU A 209 3.935 3.831 3.527 1.00 11.26 O ATOM 1500 CB LEU A 209 5.952 1.363 2.740 1.00 11.72 C ATOM 1501 CG LEU A 209 4.687 0.998 1.962 1.00 12.67 C ATOM 1502 CD1 LEU A 209 4.705 1.677 0.611 1.00 12.79 C ATOM 1503 CD2 LEU A 209 4.569 -0.505 1.799 1.00 13.35 C ATOM 1504 H LEU A 209 7.880 2.090 4.219 1.00 0.00 H ATOM 1505 N ILE A 210 4.846 2.838 5.321 1.00 10.24 N ATOM 1506 CA ILE A 210 3.670 2.964 6.176 1.00 10.91 C ATOM 1507 C ILE A 210 3.840 4.159 7.105 1.00 10.86 C ATOM 1508 O ILE A 210 4.917 4.366 7.684 1.00 11.21 O ATOM 1509 CB ILE A 210 3.432 1.661 6.967 1.00 12.31 C ATOM 1510 CG1 ILE A 210 3.252 0.468 6.016 1.00 12.26 C ATOM 1511 CG2 ILE A 210 2.228 1.799 7.904 1.00 12.41 C ATOM 1512 CD1 ILE A 210 2.084 0.587 5.054 1.00 12.61 C ATOM 1513 H ILE A 210 5.714 2.441 5.733 1.00 0.00 H ATOM 1514 N LYS A 211 2.779 4.958 7.231 1.00 11.21 N ATOM 1515 CA LYS A 211 2.677 6.046 8.191 1.00 11.98 C ATOM 1516 C LYS A 211 1.597 5.710 9.212 1.00 11.91 C ATOM 1517 O LYS A 211 0.753 4.841 8.986 1.00 11.96 O ATOM 1518 CB LYS A 211 2.321 7.364 7.493 1.00 13.39 C ATOM 1519 CG LYS A 211 3.019 7.598 6.154 1.00 14.50 C ATOM 1520 CD LYS A 211 4.544 7.608 6.283 1.00 14.97 C ATOM 1521 CE LYS A 211 5.183 7.871 4.928 1.00 16.49 C ATOM 1522 NZ LYS A 211 6.667 7.800 4.962 1.00 16.83 N ATOM 1523 HZ1 LYS A 211 7.032 8.511 5.627 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 6.960 6.851 5.271 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 7.044 7.988 4.011 1.00 0.00 H ATOM 1526 H LYS A 211 1.970 4.792 6.600 1.00 0.00 H ATOM 1527 N ASP A 212 1.617 6.412 10.340 1.00 13.73 N ATOM 1528 CA ASP A 212 0.695 6.077 11.417 1.00 14.54 C ATOM 1529 C ASP A 212 -0.734 6.509 11.077 1.00 13.51 C ATOM 1530 O ASP A 212 -0.985 7.291 10.154 1.00 14.10 O ATOM 1531 CB ASP A 212 1.149 6.711 12.728 1.00 16.57 C ATOM 1532 CG ASP A 212 0.989 8.214 12.727 1.00 18.42 C ATOM 1533 OD1 ASP A 212 -0.075 8.687 13.160 1.00 19.09 O ATOM 1534 OD2 ASP A 212 1.923 8.922 12.288 1.00 20.00 O ATOM 1535 H ASP A 212 2.289 7.198 10.454 1.00 0.00 H ATOM 1536 N SER A 213 -1.679 6.005 11.876 1.00 13.43 N ATOM 1537 CA SER A 213 -3.106 6.160 11.612 1.00 14.99 C ATOM 1538 C SER A 213 -3.589 7.602 11.696 1.00 16.38 C ATOM 1539 O SER A 213 -4.701 7.888 11.238 1.00 17.39 O ATOM 1540 CB SER A 213 -3.912 5.287 12.577 1.00 15.92 C ATOM 1541 OG SER A 213 -3.723 5.703 13.924 1.00 16.85 O ATOM 1542 HG SER A 213 -2.764 5.632 14.158 1.00 0.00 H ATOM 1543 H SER A 213 -1.385 5.479 12.724 1.00 0.00 H ATOM 1544 N LYS A 214 -2.801 8.506 12.277 1.00 17.85 N ATOM 1545 CA LYS A 214 -3.158 9.917 12.355 1.00 20.63 C ATOM 1546 C LYS A 214 -2.216 10.804 11.553 1.00 19.82 C ATOM 1547 O LYS A 214 -2.238 12.028 11.727 1.00 19.99 O ATOM 1548 CB LYS A 214 -3.229 10.384 13.814 1.00 23.99 C ATOM 1549 CG LYS A 214 -4.063 9.480 14.709 1.00 26.59 C ATOM 1550 CD LYS A 214 -5.055 10.271 15.542 1.00 28.99 C ATOM 1551 CE LYS A 214 -6.091 10.950 14.663 1.00 30.54 C ATOM 1552 NZ LYS A 214 -7.029 11.785 15.462 1.00 31.37 N ATOM 1553 HZ1 LYS A 214 -7.526 11.184 16.150 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 -6.493 12.521 15.966 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 -7.721 12.232 14.827 1.00 0.00 H ATOM 1556 H LYS A 214 -1.899 8.194 12.690 1.00 0.00 H ATOM 1557 N ALA A 215 -1.405 10.224 10.671 1.00 19.06 N ATOM 1558 CA ALA A 215 -0.438 11.007 9.916 1.00 18.33 C ATOM 1559 C ALA A 215 -1.143 11.958 8.959 1.00 18.92 C ATOM 1560 O ALA A 215 -2.179 11.629 8.377 1.00 19.05 O ATOM 1561 CB ALA A 215 0.481 10.082 9.124 1.00 18.41 C ATOM 1562 H ALA A 215 -1.463 9.197 10.519 1.00 0.00 H ATOM 1563 N LYS A 216 -0.564 13.142 8.788 1.00 19.69 N ATOM 1564 CA LYS A 216 -1.125 14.161 7.914 1.00 21.97 C ATOM 1565 C LYS A 216 -0.427 14.235 6.564 1.00 21.69 C ATOM 1566 O LYS A 216 -0.748 15.120 5.768 1.00 21.63 O ATOM 1567 CB LYS A 216 -1.080 15.533 8.595 1.00 24.35 C ATOM 1568 CG LYS A 216 -1.885 15.618 9.876 1.00 26.91 C ATOM 1569 CD LYS A 216 -1.409 16.776 10.734 1.00 29.01 C ATOM 1570 CE LYS A 216 -1.357 18.058 9.930 1.00 30.28 C ATOM 1571 NZ LYS A 216 -2.320 19.071 10.445 1.00 30.92 N ATOM 1572 HZ1 LYS A 216 -3.286 18.689 10.390 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 -2.090 19.295 11.434 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 -2.254 19.934 9.869 1.00 0.00 H ATOM 1575 H LYS A 216 0.320 13.347 9.296 1.00 0.00 H ATOM 1576 N SER A 217 0.526 13.347 6.293 1.00 21.97 N ATOM 1577 CA SER A 217 1.153 13.303 4.979 1.00 22.39 C ATOM 1578 C SER A 217 1.881 11.979 4.814 1.00 21.68 C ATOM 1579 O SER A 217 2.065 11.219 5.768 1.00 21.42 O ATOM 1580 CB SER A 217 2.098 14.488 4.752 1.00 23.85 C ATOM 1581 OG SER A 217 3.407 14.203 5.205 1.00 24.56 O ATOM 1582 HG SER A 217 3.383 14.002 6.174 1.00 0.00 H ATOM 1583 H SER A 217 0.827 12.676 7.028 1.00 0.00 H ATOM 1584 N LEU A 218 2.281 11.712 3.573 1.00 21.02 N ATOM 1585 CA LEU A 218 3.084 10.550 3.233 1.00 20.34 C ATOM 1586 C LEU A 218 4.575 10.860 3.205 1.00 20.32 C ATOM 1587 O LEU A 218 5.351 10.081 2.644 1.00 20.82 O ATOM 1588 CB LEU A 218 2.623 9.953 1.901 1.00 20.22 C ATOM 1589 CG LEU A 218 1.224 9.333 1.937 1.00 19.94 C ATOM 1590 CD1 LEU A 218 0.656 9.195 0.535 1.00 20.40 C ATOM 1591 CD2 LEU A 218 1.238 7.984 2.654 1.00 19.85 C ATOM 1592 H LEU A 218 2.006 12.365 2.812 1.00 0.00 H ATOM 1593 N GLY A 219 4.991 11.979 3.797 1.00 20.15 N ATOM 1594 CA GLY A 219 6.408 12.270 3.891 1.00 21.05 C ATOM 1595 C GLY A 219 7.009 12.645 2.547 1.00 21.40 C ATOM 1596 O GLY A 219 6.359 13.238 1.682 1.00 22.58 O ATOM 1597 H GLY A 219 4.297 12.645 4.193 1.00 0.00 H ATOM 1598 N ASN A 220 8.278 12.281 2.372 1.00 21.29 N ATOM 1599 CA ASN A 220 8.999 12.601 1.147 1.00 21.73 C ATOM 1600 C ASN A 220 8.526 11.692 0.020 1.00 20.85 C ATOM 1601 O ASN A 220 8.702 10.469 0.079 1.00 20.17 O ATOM 1602 CB ASN A 220 10.497 12.425 1.373 1.00 23.60 C ATOM 1603 CG ASN A 220 11.335 13.083 0.293 1.00 25.70 C ATOM 1604 OD1 ASN A 220 10.902 13.223 -0.852 1.00 26.45 O ATOM 1605 ND2 ASN A 220 12.546 13.490 0.654 1.00 26.49 N ATOM 1606 HD22 ASN A 220 12.871 13.352 1.632 1.00 0.00 H ATOM 1607 HD21 ASN A 220 13.170 13.947 -0.041 1.00 0.00 H ATOM 1608 H ASN A 220 8.765 11.757 3.127 1.00 0.00 H ATOM 1609 N LEU A 221 7.940 12.294 -1.012 1.00 21.00 N ATOM 1610 CA LEU A 221 7.444 11.566 -2.172 1.00 20.58 C ATOM 1611 C LEU A 221 8.312 11.771 -3.410 1.00 19.44 C ATOM 1612 O LEU A 221 7.897 11.406 -4.513 1.00 19.04 O ATOM 1613 CB LEU A 221 5.989 11.948 -2.458 1.00 21.78 C ATOM 1614 CG LEU A 221 4.977 11.647 -1.349 1.00 22.92 C ATOM 1615 CD1 LEU A 221 3.647 12.331 -1.635 1.00 23.07 C ATOM 1616 CD2 LEU A 221 4.793 10.147 -1.189 1.00 23.47 C ATOM 1617 H LEU A 221 7.832 13.328 -0.989 1.00 0.00 H ATOM 1618 N GLY A 222 9.517 12.325 -3.248 1.00 19.04 N ATOM 1619 CA GLY A 222 10.363 12.610 -4.397 1.00 18.69 C ATOM 1620 C GLY A 222 10.737 11.386 -5.215 1.00 18.46 C ATOM 1621 O GLY A 222 10.960 11.490 -6.423 1.00 19.10 O ATOM 1622 H GLY A 222 9.854 12.555 -2.291 1.00 0.00 H ATOM 1623 N ASP A 223 10.818 10.217 -4.579 1.00 17.40 N ATOM 1624 CA ASP A 223 11.123 8.968 -5.269 1.00 16.70 C ATOM 1625 C ASP A 223 9.926 8.029 -5.324 1.00 15.89 C ATOM 1626 O ASP A 223 10.091 6.846 -5.644 1.00 16.02 O ATOM 1627 CB ASP A 223 12.301 8.252 -4.601 1.00 16.90 C ATOM 1628 CG ASP A 223 13.625 8.945 -4.840 1.00 17.89 C ATOM 1629 OD1 ASP A 223 13.766 9.633 -5.868 1.00 18.60 O ATOM 1630 OD2 ASP A 223 14.536 8.799 -4.000 1.00 19.10 O ATOM 1631 H ASP A 223 10.658 10.194 -3.552 1.00 0.00 H ATOM 1632 N ALA A 224 8.731 8.522 -5.024 1.00 15.66 N ATOM 1633 CA ALA A 224 7.583 7.656 -4.811 1.00 16.02 C ATOM 1634 C ALA A 224 6.944 7.240 -6.133 1.00 16.91 C ATOM 1635 O ALA A 224 7.066 7.916 -7.157 1.00 17.56 O ATOM 1636 CB ALA A 224 6.544 8.360 -3.939 1.00 16.07 C ATOM 1637 H ALA A 224 8.613 9.552 -4.939 1.00 0.00 H ATOM 1638 N ASP A 225 6.251 6.105 -6.092 1.00 17.23 N ATOM 1639 CA ASP A 225 5.442 5.618 -7.206 1.00 17.71 C ATOM 1640 C ASP A 225 3.997 5.974 -6.875 1.00 18.20 C ATOM 1641 O ASP A 225 3.325 5.257 -6.126 1.00 17.73 O ATOM 1642 CB ASP A 225 5.627 4.113 -7.375 1.00 18.25 C ATOM 1643 CG ASP A 225 5.022 3.587 -8.658 1.00 19.05 C ATOM 1644 OD1 ASP A 225 3.874 3.954 -8.976 1.00 19.00 O ATOM 1645 OD2 ASP A 225 5.696 2.796 -9.347 1.00 19.62 O ATOM 1646 H ASP A 225 6.287 5.536 -5.222 1.00 0.00 H ATOM 1647 N THR A 226 3.522 7.092 -7.430 1.00 19.49 N ATOM 1648 CA THR A 226 2.200 7.595 -7.068 1.00 21.12 C ATOM 1649 C THR A 226 1.089 6.661 -7.532 1.00 21.22 C ATOM 1650 O THR A 226 0.051 6.557 -6.867 1.00 22.01 O ATOM 1651 CB THR A 226 1.989 8.996 -7.649 1.00 22.15 C ATOM 1652 OG1 THR A 226 2.219 8.972 -9.062 1.00 22.47 O ATOM 1653 CG2 THR A 226 2.940 9.993 -7.004 1.00 22.78 C ATOM 1654 HG1 THR A 226 3.148 8.679 -9.239 1.00 0.00 H ATOM 1655 H THR A 226 4.098 7.608 -8.125 1.00 0.00 H ATOM 1656 N GLU A 227 1.284 5.972 -8.659 1.00 21.33 N ATOM 1657 CA GLU A 227 0.235 5.099 -9.177 1.00 21.55 C ATOM 1658 C GLU A 227 0.040 3.863 -8.305 1.00 20.68 C ATOM 1659 O GLU A 227 -1.096 3.422 -8.093 1.00 21.34 O ATOM 1660 CB GLU A 227 0.551 4.707 -10.623 1.00 24.08 C ATOM 1661 CG GLU A 227 -0.283 3.555 -11.180 1.00 26.90 C ATOM 1662 CD GLU A 227 -1.774 3.847 -11.190 1.00 29.55 C ATOM 1663 OE1 GLU A 227 -2.567 2.886 -11.088 1.00 30.66 O ATOM 1664 OE2 GLU A 227 -2.156 5.032 -11.305 1.00 30.71 O ATOM 1665 H GLU A 227 2.186 6.058 -9.169 1.00 0.00 H ATOM 1666 N HIS A 228 1.128 3.293 -7.785 1.00 19.23 N ATOM 1667 CA HIS A 228 1.072 1.988 -7.136 1.00 18.83 C ATOM 1668 C HIS A 228 1.144 2.043 -5.615 1.00 16.30 C ATOM 1669 O HIS A 228 0.973 1.000 -4.976 1.00 15.90 O ATOM 1670 CB HIS A 228 2.194 1.081 -7.661 1.00 20.45 C ATOM 1671 CG HIS A 228 2.130 0.834 -9.135 1.00 22.35 C ATOM 1672 ND1 HIS A 228 2.959 1.469 -10.035 1.00 22.56 N ATOM 1673 CD2 HIS A 228 1.334 0.020 -9.868 1.00 23.07 C ATOM 1674 CE1 HIS A 228 2.677 1.055 -11.258 1.00 23.24 C ATOM 1675 NE2 HIS A 228 1.696 0.175 -11.184 1.00 23.64 N ATOM 1676 H HIS A 228 2.039 3.791 -7.844 1.00 0.00 H ATOM 1677 N TYR A 229 1.384 3.219 -5.024 1.00 15.44 N ATOM 1678 CA TYR A 229 1.571 3.319 -3.576 1.00 13.99 C ATOM 1679 C TYR A 229 0.432 2.652 -2.812 1.00 13.68 C ATOM 1680 O TYR A 229 0.668 1.845 -1.902 1.00 14.11 O ATOM 1681 CB TYR A 229 1.705 4.795 -3.175 1.00 13.58 C ATOM 1682 CG TYR A 229 2.411 5.063 -1.853 1.00 13.12 C ATOM 1683 CD1 TYR A 229 2.055 4.387 -0.687 1.00 12.87 C ATOM 1684 CD2 TYR A 229 3.425 6.008 -1.770 1.00 13.38 C ATOM 1685 CE1 TYR A 229 2.691 4.641 0.512 1.00 13.09 C ATOM 1686 CE2 TYR A 229 4.069 6.268 -0.572 1.00 13.06 C ATOM 1687 CZ TYR A 229 3.703 5.583 0.565 1.00 12.97 C ATOM 1688 OH TYR A 229 4.349 5.840 1.755 1.00 14.04 O ATOM 1689 HH TYR A 229 3.968 5.267 2.467 1.00 0.00 H ATOM 1690 H TYR A 229 1.439 4.080 -5.605 1.00 0.00 H ATOM 1691 N ALA A 230 -0.814 2.976 -3.173 1.00 14.44 N ATOM 1692 CA ALA A 230 -1.956 2.476 -2.415 1.00 14.95 C ATOM 1693 C ALA A 230 -2.010 0.952 -2.430 1.00 14.41 C ATOM 1694 O ALA A 230 -2.200 0.317 -1.385 1.00 14.70 O ATOM 1695 CB ALA A 230 -3.249 3.080 -2.963 1.00 15.83 C ATOM 1696 H ALA A 230 -0.970 3.588 -3.999 1.00 0.00 H ATOM 1697 N ALA A 231 -1.848 0.347 -3.611 1.00 14.69 N ATOM 1698 CA ALA A 231 -1.886 -1.111 -3.705 1.00 15.19 C ATOM 1699 C ALA A 231 -0.733 -1.742 -2.937 1.00 14.74 C ATOM 1700 O ALA A 231 -0.900 -2.782 -2.289 1.00 15.31 O ATOM 1701 CB ALA A 231 -1.853 -1.546 -5.169 1.00 16.09 C ATOM 1702 H ALA A 231 -1.694 0.917 -4.467 1.00 0.00 H ATOM 1703 N SER A 232 0.440 -1.113 -2.976 1.00 13.83 N ATOM 1704 CA SER A 232 1.592 -1.640 -2.257 1.00 13.23 C ATOM 1705 C SER A 232 1.374 -1.601 -0.748 1.00 12.17 C ATOM 1706 O SER A 232 1.706 -2.562 -0.042 1.00 11.82 O ATOM 1707 CB SER A 232 2.840 -0.864 -2.666 1.00 13.53 C ATOM 1708 OG SER A 232 3.051 -0.995 -4.064 1.00 14.08 O ATOM 1709 HG SER A 232 3.862 -0.489 -4.323 1.00 0.00 H ATOM 1710 H SER A 232 0.535 -0.235 -3.526 1.00 0.00 H ATOM 1711 N ALA A 233 0.822 -0.499 -0.233 1.00 12.19 N ATOM 1712 CA ALA A 233 0.483 -0.437 1.184 1.00 13.26 C ATOM 1713 C ALA A 233 -0.490 -1.547 1.559 1.00 13.05 C ATOM 1714 O ALA A 233 -0.307 -2.233 2.572 1.00 12.68 O ATOM 1715 CB ALA A 233 -0.087 0.940 1.526 1.00 13.49 C ATOM 1716 H ALA A 233 0.633 0.319 -0.846 1.00 0.00 H ATOM 1717 N ARG A 234 -1.527 -1.752 0.739 1.00 13.31 N ATOM 1718 CA ARG A 234 -2.495 -2.805 1.025 1.00 13.71 C ATOM 1719 C ARG A 234 -1.872 -4.191 0.903 1.00 13.35 C ATOM 1720 O ARG A 234 -2.214 -5.096 1.673 1.00 13.64 O ATOM 1721 CB ARG A 234 -3.722 -2.651 0.127 1.00 14.54 C ATOM 1722 CG ARG A 234 -4.500 -1.390 0.448 1.00 15.00 C ATOM 1723 CD ARG A 234 -5.792 -1.236 -0.332 1.00 15.09 C ATOM 1724 NE ARG A 234 -6.539 -0.097 0.195 1.00 15.45 N ATOM 1725 CZ ARG A 234 -6.706 1.061 -0.433 1.00 15.55 C ATOM 1726 NH1 ARG A 234 -6.217 1.249 -1.652 1.00 15.72 N ATOM 1727 NH2 ARG A 234 -7.384 2.031 0.165 1.00 16.08 N ATOM 1728 HE ARG A 234 -6.973 -0.201 1.134 1.00 0.00 H ATOM 1729 HH12 ARG A 234 -6.355 2.161 -2.133 1.00 0.00 H ATOM 1730 HH11 ARG A 234 -5.696 0.484 -2.127 1.00 0.00 H ATOM 1731 HH22 ARG A 234 -7.522 2.943 -0.316 1.00 0.00 H ATOM 1732 HH21 ARG A 234 -7.778 1.880 1.116 1.00 0.00 H ATOM 1733 H ARG A 234 -1.644 -1.158 -0.106 1.00 0.00 H ATOM 1734 N ALA A 235 -0.946 -4.372 -0.045 1.00 13.79 N ATOM 1735 CA ALA A 235 -0.273 -5.661 -0.190 1.00 13.79 C ATOM 1736 C ALA A 235 0.543 -6.003 1.052 1.00 13.13 C ATOM 1737 O ALA A 235 0.599 -7.168 1.464 1.00 13.29 O ATOM 1738 CB ALA A 235 0.605 -5.665 -1.440 1.00 14.64 C ATOM 1739 H ALA A 235 -0.703 -3.589 -0.684 1.00 0.00 H ATOM 1740 N PHE A 236 1.190 -5.002 1.656 1.00 11.58 N ATOM 1741 CA PHE A 236 1.881 -5.214 2.923 1.00 11.65 C ATOM 1742 C PHE A 236 0.925 -5.752 3.982 1.00 11.58 C ATOM 1743 O PHE A 236 1.223 -6.740 4.665 1.00 12.33 O ATOM 1744 CB PHE A 236 2.524 -3.901 3.379 1.00 11.33 C ATOM 1745 CG PHE A 236 2.953 -3.895 4.818 1.00 10.53 C ATOM 1746 CD1 PHE A 236 4.068 -4.607 5.231 1.00 10.72 C ATOM 1747 CD2 PHE A 236 2.258 -3.146 5.755 1.00 10.26 C ATOM 1748 CE1 PHE A 236 4.467 -4.590 6.555 1.00 9.93 C ATOM 1749 CE2 PHE A 236 2.651 -3.132 7.082 1.00 10.60 C ATOM 1750 CZ PHE A 236 3.766 -3.844 7.482 1.00 9.72 C ATOM 1751 H PHE A 236 1.201 -4.059 1.217 1.00 0.00 H ATOM 1752 N GLY A 237 -0.242 -5.118 4.126 1.00 12.11 N ATOM 1753 CA GLY A 237 -1.203 -5.590 5.110 1.00 12.74 C ATOM 1754 C GLY A 237 -1.653 -7.016 4.851 1.00 12.88 C ATOM 1755 O GLY A 237 -1.764 -7.824 5.778 1.00 13.53 O ATOM 1756 H GLY A 237 -0.462 -4.290 3.537 1.00 0.00 H ATOM 1757 N ALA A 238 -1.901 -7.351 3.583 1.00 14.11 N ATOM 1758 CA ALA A 238 -2.351 -8.696 3.242 1.00 14.96 C ATOM 1759 C ALA A 238 -1.258 -9.744 3.410 1.00 14.77 C ATOM 1760 O ALA A 238 -1.570 -10.922 3.607 1.00 15.74 O ATOM 1761 CB ALA A 238 -2.881 -8.725 1.809 1.00 16.09 C ATOM 1762 H ALA A 238 -1.772 -6.645 2.830 1.00 0.00 H ATOM 1763 N ALA A 239 0.011 -9.348 3.344 1.00 14.14 N ATOM 1764 CA ALA A 239 1.101 -10.300 3.516 1.00 14.29 C ATOM 1765 C ALA A 239 1.290 -10.693 4.973 1.00 13.75 C ATOM 1766 O ALA A 239 1.757 -11.803 5.258 1.00 14.04 O ATOM 1767 CB ALA A 239 2.400 -9.705 2.970 1.00 14.72 C ATOM 1768 H ALA A 239 0.228 -8.346 3.167 1.00 0.00 H ATOM 1769 N PHE A 240 0.931 -9.807 5.898 1.00 12.89 N ATOM 1770 CA PHE A 240 1.072 -10.049 7.334 1.00 11.97 C ATOM 1771 C PHE A 240 -0.273 -9.832 8.019 1.00 12.61 C ATOM 1772 O PHE A 240 -0.420 -8.940 8.863 1.00 12.48 O ATOM 1773 CB PHE A 240 2.141 -9.125 7.915 1.00 11.73 C ATOM 1774 CG PHE A 240 3.462 -9.208 7.209 1.00 11.61 C ATOM 1775 CD1 PHE A 240 4.306 -10.280 7.434 1.00 12.41 C ATOM 1776 CD2 PHE A 240 3.860 -8.217 6.325 1.00 11.79 C ATOM 1777 CE1 PHE A 240 5.527 -10.368 6.797 1.00 12.85 C ATOM 1778 CE2 PHE A 240 5.085 -8.289 5.685 1.00 12.65 C ATOM 1779 CZ PHE A 240 5.920 -9.369 5.917 1.00 12.83 C ATOM 1780 H PHE A 240 0.531 -8.899 5.586 1.00 0.00 H ATOM 1781 N PRO A 241 -1.281 -10.650 7.688 1.00 14.14 N ATOM 1782 CA PRO A 241 -2.648 -10.342 8.133 1.00 15.68 C ATOM 1783 C PRO A 241 -2.867 -10.500 9.623 1.00 17.63 C ATOM 1784 O PRO A 241 -3.829 -9.926 10.147 1.00 18.52 O ATOM 1785 CB PRO A 241 -3.514 -11.325 7.334 1.00 15.93 C ATOM 1786 CG PRO A 241 -2.614 -12.490 7.093 1.00 15.42 C ATOM 1787 CD PRO A 241 -1.228 -11.906 6.914 1.00 14.94 C ATOM 1788 N LYS A 242 -2.021 -11.247 10.322 1.00 18.51 N ATOM 1789 CA LYS A 242 -2.196 -11.454 11.752 1.00 19.50 C ATOM 1790 C LYS A 242 -1.407 -10.465 12.598 1.00 18.00 C ATOM 1791 O LYS A 242 -1.537 -10.486 13.828 1.00 19.89 O ATOM 1792 CB LYS A 242 -1.823 -12.891 12.135 1.00 21.85 C ATOM 1793 CG LYS A 242 -2.837 -13.942 11.690 1.00 24.71 C ATOM 1794 CD LYS A 242 -3.506 -14.617 12.881 1.00 27.07 C ATOM 1795 CE LYS A 242 -4.371 -15.793 12.449 1.00 28.49 C ATOM 1796 NZ LYS A 242 -3.555 -16.968 12.027 1.00 29.16 N ATOM 1797 HZ1 LYS A 242 -2.951 -16.699 11.224 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 -2.960 -17.279 12.821 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 -4.187 -17.743 11.742 1.00 0.00 H ATOM 1800 H LYS A 242 -1.216 -11.694 9.838 1.00 0.00 H ATOM 1801 N ALA A 243 -0.606 -9.599 11.977 1.00 15.36 N ATOM 1802 CA ALA A 243 0.195 -8.641 12.729 1.00 14.38 C ATOM 1803 C ALA A 243 -0.700 -7.541 13.282 1.00 14.10 C ATOM 1804 O ALA A 243 -1.340 -6.806 12.522 1.00 15.43 O ATOM 1805 CB ALA A 243 1.277 -8.043 11.835 1.00 14.86 C ATOM 1806 H ALA A 243 -0.552 -9.607 10.938 1.00 0.00 H ATOM 1807 N SER A 244 -0.748 -7.431 14.606 1.00 13.98 N ATOM 1808 CA SER A 244 -1.514 -6.383 15.262 1.00 14.21 C ATOM 1809 C SER A 244 -0.667 -5.180 15.645 1.00 13.26 C ATOM 1810 O SER A 244 -1.230 -4.124 15.955 1.00 15.00 O ATOM 1811 CB SER A 244 -2.194 -6.933 16.518 1.00 15.57 C ATOM 1812 OG SER A 244 -1.250 -7.547 17.372 1.00 16.99 O ATOM 1813 HG SER A 244 -0.569 -6.881 17.643 1.00 0.00 H ATOM 1814 H SER A 244 -0.223 -8.114 15.189 1.00 0.00 H ATOM 1815 N MET A 245 0.660 -5.316 15.647 1.00 12.10 N ATOM 1816 CA MET A 245 1.571 -4.210 15.926 1.00 11.14 C ATOM 1817 C MET A 245 2.329 -3.873 14.650 1.00 10.73 C ATOM 1818 O MET A 245 3.182 -4.646 14.200 1.00 12.08 O ATOM 1819 CB MET A 245 2.539 -4.533 17.058 1.00 11.97 C ATOM 1820 CG MET A 245 3.487 -3.384 17.337 1.00 13.34 C ATOM 1821 SD MET A 245 4.613 -3.695 18.695 1.00 15.58 S ATOM 1822 CE MET A 245 3.502 -3.461 20.082 1.00 17.31 C ATOM 1823 H MET A 245 1.064 -6.252 15.441 1.00 0.00 H ATOM 1824 N ILE A 246 2.030 -2.712 14.085 1.00 10.29 N ATOM 1825 CA ILE A 246 2.662 -2.252 12.861 1.00 10.06 C ATOM 1826 C ILE A 246 3.733 -1.244 13.245 1.00 9.87 C ATOM 1827 O ILE A 246 3.441 -0.215 13.866 1.00 10.24 O ATOM 1828 CB ILE A 246 1.630 -1.656 11.894 1.00 10.38 C ATOM 1829 CG1 ILE A 246 0.499 -2.662 11.645 1.00 11.01 C ATOM 1830 CG2 ILE A 246 2.295 -1.244 10.586 1.00 11.78 C ATOM 1831 CD1 ILE A 246 0.974 -4.007 11.132 1.00 11.31 C ATOM 1832 H ILE A 246 1.315 -2.107 14.536 1.00 0.00 H ATOM 1833 N VAL A 247 4.972 -1.562 12.912 1.00 8.61 N ATOM 1834 CA VAL A 247 6.125 -0.717 13.183 1.00 8.54 C ATOM 1835 C VAL A 247 6.524 -0.042 11.880 1.00 8.13 C ATOM 1836 O VAL A 247 6.389 -0.616 10.795 1.00 8.75 O ATOM 1837 CB VAL A 247 7.268 -1.578 13.769 1.00 8.82 C ATOM 1838 CG1 VAL A 247 8.486 -0.728 14.126 1.00 9.45 C ATOM 1839 CG2 VAL A 247 6.775 -2.367 14.983 1.00 9.46 C ATOM 1840 H VAL A 247 5.132 -2.469 12.428 1.00 0.00 H ATOM 1841 N MET A 248 6.999 1.199 11.974 1.00 8.57 N ATOM 1842 CA MET A 248 7.286 1.972 10.771 1.00 9.13 C ATOM 1843 C MET A 248 8.414 2.956 11.059 1.00 8.79 C ATOM 1844 O MET A 248 8.821 3.147 12.205 1.00 9.23 O ATOM 1845 CB MET A 248 6.020 2.664 10.250 1.00 10.94 C ATOM 1846 CG MET A 248 5.494 3.762 11.160 1.00 12.38 C ATOM 1847 SD MET A 248 3.695 3.883 11.155 1.00 14.97 S ATOM 1848 CE MET A 248 3.274 2.613 12.337 1.00 15.02 C ATOM 1849 H MET A 248 7.166 1.619 12.911 1.00 0.00 H ATOM 1850 N SER A 249 8.893 3.622 10.006 1.00 8.39 N ATOM 1851 CA SER A 249 10.124 4.400 10.148 1.00 8.81 C ATOM 1852 C SER A 249 9.949 5.668 10.979 1.00 8.70 C ATOM 1853 O SER A 249 10.862 6.050 11.713 1.00 8.73 O ATOM 1854 CB SER A 249 10.677 4.779 8.782 1.00 9.84 C ATOM 1855 OG SER A 249 11.230 3.663 8.124 1.00 9.87 O ATOM 1856 HG SER A 249 11.580 3.942 7.241 1.00 0.00 H ATOM 1857 H SER A 249 8.396 3.588 9.093 1.00 0.00 H ATOM 1858 N HIS A 250 8.827 6.376 10.837 1.00 9.33 N ATOM 1859 CA HIS A 250 8.774 7.753 11.329 1.00 10.35 C ATOM 1860 C HIS A 250 7.621 8.011 12.293 1.00 11.63 C ATOM 1861 O HIS A 250 7.291 9.166 12.563 1.00 14.06 O ATOM 1862 CB HIS A 250 8.800 8.762 10.176 1.00 11.02 C ATOM 1863 CG HIS A 250 9.965 8.572 9.258 1.00 10.22 C ATOM 1864 ND1 HIS A 250 11.272 8.700 9.681 1.00 10.04 N ATOM 1865 CD2 HIS A 250 10.024 8.219 7.953 1.00 9.97 C ATOM 1866 CE1 HIS A 250 12.084 8.459 8.668 1.00 9.90 C ATOM 1867 NE2 HIS A 250 11.353 8.154 7.610 1.00 9.98 N ATOM 1868 H HIS A 250 7.995 5.952 10.379 1.00 0.00 H ATOM 1869 N SER A 251 7.023 6.958 12.830 1.00 11.50 N ATOM 1870 CA SER A 251 6.030 7.076 13.882 1.00 12.72 C ATOM 1871 C SER A 251 6.216 5.917 14.843 1.00 11.16 C ATOM 1872 O SER A 251 6.846 4.912 14.509 1.00 10.65 O ATOM 1873 CB SER A 251 4.608 7.025 13.322 1.00 14.86 C ATOM 1874 OG SER A 251 4.367 8.106 12.448 1.00 17.38 O ATOM 1875 HG SER A 251 3.442 8.048 12.101 1.00 0.00 H ATOM 1876 H SER A 251 7.275 6.010 12.484 1.00 0.00 H ATOM 1877 N ALA A 252 5.648 6.063 16.036 1.00 10.80 N ATOM 1878 CA ALA A 252 5.660 4.994 17.015 1.00 11.13 C ATOM 1879 C ALA A 252 4.790 3.836 16.526 1.00 10.73 C ATOM 1880 O ALA A 252 3.951 4.013 15.643 1.00 10.87 O ATOM 1881 CB ALA A 252 5.123 5.519 18.344 1.00 12.28 C ATOM 1882 H ALA A 252 5.185 6.964 16.272 1.00 0.00 H ATOM 1883 N PRO A 253 4.988 2.637 17.072 1.00 10.21 N ATOM 1884 CA PRO A 253 4.166 1.494 16.650 1.00 9.80 C ATOM 1885 C PRO A 253 2.677 1.771 16.814 1.00 10.99 C ATOM 1886 O PRO A 253 2.244 2.436 17.759 1.00 11.81 O ATOM 1887 CB PRO A 253 4.640 0.366 17.571 1.00 11.24 C ATOM 1888 CG PRO A 253 6.057 0.729 17.888 1.00 12.09 C ATOM 1889 CD PRO A 253 6.088 2.227 17.963 1.00 11.49 C ATOM 1890 N ASP A 254 1.888 1.246 15.877 1.00 11.15 N ATOM 1891 CA ASP A 254 0.472 1.568 15.789 1.00 11.11 C ATOM 1892 C ASP A 254 -0.317 0.297 15.505 1.00 11.00 C ATOM 1893 O ASP A 254 0.245 -0.783 15.297 1.00 11.47 O ATOM 1894 CB ASP A 254 0.233 2.606 14.685 1.00 12.23 C ATOM 1895 CG ASP A 254 -1.052 3.415 14.883 1.00 14.02 C ATOM 1896 OD1 ASP A 254 -1.814 3.170 15.847 1.00 14.04 O ATOM 1897 OD2 ASP A 254 -1.299 4.314 14.058 1.00 16.16 O ATOM 1898 H ASP A 254 2.298 0.585 15.187 1.00 0.00 H ATOM 1899 N SER A 255 -1.638 0.441 15.489 1.00 11.08 N ATOM 1900 CA SER A 255 -2.522 -0.633 15.074 1.00 11.17 C ATOM 1901 C SER A 255 -2.521 -0.748 13.552 1.00 10.11 C ATOM 1902 O SER A 255 -1.883 0.028 12.830 1.00 10.23 O ATOM 1903 CB SER A 255 -3.941 -0.376 15.570 1.00 11.91 C ATOM 1904 OG SER A 255 -4.588 0.579 14.744 1.00 13.18 O ATOM 1905 HG SER A 255 -4.080 1.429 14.764 1.00 0.00 H ATOM 1906 H SER A 255 -2.050 1.350 15.782 1.00 0.00 H ATOM 1907 N ARG A 256 -3.287 -1.715 13.053 1.00 10.62 N ATOM 1908 CA ARG A 256 -3.437 -1.883 11.616 1.00 10.79 C ATOM 1909 C ARG A 256 -4.117 -0.696 10.950 1.00 10.72 C ATOM 1910 O ARG A 256 -4.105 -0.612 9.717 1.00 11.25 O ATOM 1911 CB ARG A 256 -4.183 -3.181 11.317 1.00 11.88 C ATOM 1912 CG ARG A 256 -3.390 -4.423 11.682 1.00 12.37 C ATOM 1913 CD ARG A 256 -4.132 -5.678 11.294 1.00 12.97 C ATOM 1914 NE ARG A 256 -4.164 -5.883 9.849 1.00 13.24 N ATOM 1915 CZ ARG A 256 -3.178 -6.440 9.154 1.00 14.00 C ATOM 1916 NH1 ARG A 256 -2.060 -6.829 9.765 1.00 13.66 N ATOM 1917 NH2 ARG A 256 -3.307 -6.599 7.842 1.00 14.56 N ATOM 1918 HE ARG A 256 -5.011 -5.574 9.331 1.00 0.00 H ATOM 1919 HH12 ARG A 256 -1.292 -7.264 9.216 1.00 0.00 H ATOM 1920 HH11 ARG A 256 -1.955 -6.697 10.791 1.00 0.00 H ATOM 1921 HH22 ARG A 256 -2.539 -7.034 7.293 1.00 0.00 H ATOM 1922 HH21 ARG A 256 -4.177 -6.288 7.364 1.00 0.00 H ATOM 1923 H ARG A 256 -3.785 -2.360 13.699 1.00 0.00 H ATOM 1924 N ALA A 257 -4.699 0.227 11.722 1.00 10.72 N ATOM 1925 CA ALA A 257 -5.229 1.447 11.130 1.00 11.13 C ATOM 1926 C ALA A 257 -4.138 2.260 10.443 1.00 10.76 C ATOM 1927 O ALA A 257 -4.443 3.081 9.571 1.00 11.42 O ATOM 1928 CB ALA A 257 -5.963 2.273 12.192 1.00 12.05 C ATOM 1929 H ALA A 257 -4.773 0.073 12.748 1.00 0.00 H ATOM 1930 N ALA A 258 -2.871 2.055 10.815 1.00 10.83 N ATOM 1931 CA ALA A 258 -1.778 2.663 10.064 1.00 10.63 C ATOM 1932 C ALA A 258 -1.809 2.235 8.599 1.00 9.98 C ATOM 1933 O ALA A 258 -1.548 3.046 7.701 1.00 10.57 O ATOM 1934 CB ALA A 258 -0.440 2.280 10.691 1.00 11.15 C ATOM 1935 H ALA A 258 -2.663 1.460 11.642 1.00 0.00 H ATOM 1936 N ILE A 259 -2.108 0.957 8.341 1.00 10.40 N ATOM 1937 CA ILE A 259 -2.117 0.452 6.972 1.00 11.03 C ATOM 1938 C ILE A 259 -3.292 1.030 6.201 1.00 10.72 C ATOM 1939 O ILE A 259 -3.133 1.549 5.087 1.00 11.23 O ATOM 1940 CB ILE A 259 -2.141 -1.086 6.957 1.00 11.63 C ATOM 1941 CG1 ILE A 259 -0.956 -1.657 7.735 1.00 12.56 C ATOM 1942 CG2 ILE A 259 -2.174 -1.603 5.526 1.00 12.98 C ATOM 1943 CD1 ILE A 259 -1.072 -3.143 7.971 1.00 13.68 C ATOM 1944 H ILE A 259 -2.337 0.315 9.126 1.00 0.00 H ATOM 1945 N THR A 260 -4.494 0.937 6.776 1.00 10.60 N ATOM 1946 CA THR A 260 -5.668 1.458 6.085 1.00 11.02 C ATOM 1947 C THR A 260 -5.556 2.960 5.858 1.00 10.72 C ATOM 1948 O THR A 260 -5.896 3.457 4.779 1.00 11.27 O ATOM 1949 CB THR A 260 -6.957 1.108 6.837 1.00 11.67 C ATOM 1950 OG1 THR A 260 -6.846 1.480 8.217 1.00 11.08 O ATOM 1951 CG2 THR A 260 -7.244 -0.388 6.746 1.00 12.14 C ATOM 1952 HG1 THR A 260 -6.688 2.455 8.283 1.00 0.00 H ATOM 1953 H THR A 260 -4.592 0.495 7.712 1.00 0.00 H ATOM 1954 N HIS A 261 -5.070 3.700 6.858 1.00 10.99 N ATOM 1955 CA HIS A 261 -4.953 5.149 6.707 1.00 11.83 C ATOM 1956 C HIS A 261 -3.898 5.520 5.672 1.00 12.23 C ATOM 1957 O HIS A 261 -4.111 6.431 4.863 1.00 13.06 O ATOM 1958 CB HIS A 261 -4.649 5.803 8.055 1.00 12.02 C ATOM 1959 CG HIS A 261 -4.473 7.287 7.980 1.00 12.38 C ATOM 1960 ND1 HIS A 261 -5.480 8.140 7.583 1.00 13.13 N ATOM 1961 CD2 HIS A 261 -3.401 8.068 8.249 1.00 13.37 C ATOM 1962 CE1 HIS A 261 -5.036 9.384 7.617 1.00 12.93 C ATOM 1963 NE2 HIS A 261 -3.777 9.368 8.018 1.00 13.86 N ATOM 1964 H HIS A 261 -4.774 3.245 7.745 1.00 0.00 H ATOM 1965 N THR A 262 -2.754 4.830 5.681 1.00 11.68 N ATOM 1966 CA THR A 262 -1.733 5.091 4.667 1.00 11.92 C ATOM 1967 C THR A 262 -2.269 4.821 3.266 1.00 12.48 C ATOM 1968 O THR A 262 -2.034 5.607 2.338 1.00 13.28 O ATOM 1969 CB THR A 262 -0.492 4.228 4.918 1.00 12.25 C ATOM 1970 OG1 THR A 262 0.146 4.634 6.134 1.00 11.74 O ATOM 1971 CG2 THR A 262 0.504 4.374 3.777 1.00 12.34 C ATOM 1972 HG1 THR A 262 -0.486 4.526 6.889 1.00 0.00 H ATOM 1973 H THR A 262 -2.589 4.107 6.410 1.00 0.00 H ATOM 1974 N ALA A 263 -2.975 3.701 3.091 1.00 12.30 N ATOM 1975 CA ALA A 263 -3.510 3.370 1.775 1.00 13.31 C ATOM 1976 C ALA A 263 -4.548 4.392 1.337 1.00 14.29 C ATOM 1977 O ALA A 263 -4.576 4.795 0.169 1.00 14.45 O ATOM 1978 CB ALA A 263 -4.096 1.956 1.780 1.00 13.03 C ATOM 1979 H ALA A 263 -3.144 3.063 3.895 1.00 0.00 H ATOM 1980 N ARG A 264 -5.397 4.839 2.266 1.00 14.31 N ATOM 1981 CA ARG A 264 -6.418 5.822 1.923 1.00 15.56 C ATOM 1982 C ARG A 264 -5.793 7.153 1.519 1.00 16.32 C ATOM 1983 O ARG A 264 -6.276 7.817 0.596 1.00 18.04 O ATOM 1984 CB ARG A 264 -7.397 5.989 3.084 1.00 17.25 C ATOM 1985 CG ARG A 264 -8.761 6.512 2.665 1.00 18.12 C ATOM 1986 CD ARG A 264 -9.506 5.512 1.802 1.00 19.16 C ATOM 1987 NE ARG A 264 -10.864 5.953 1.492 1.00 20.04 N ATOM 1988 CZ ARG A 264 -11.360 6.083 0.263 1.00 21.12 C ATOM 1989 NH1 ARG A 264 -12.616 6.480 0.097 1.00 21.27 N ATOM 1990 NH2 ARG A 264 -10.614 5.804 -0.797 1.00 21.95 N ATOM 1991 HE ARG A 264 -11.490 6.182 2.290 1.00 0.00 H ATOM 1992 HH12 ARG A 264 -13.007 6.583 -0.861 1.00 0.00 H ATOM 1993 HH11 ARG A 264 -13.209 6.688 0.925 1.00 0.00 H ATOM 1994 HH22 ARG A 264 -11.009 5.908 -1.753 1.00 0.00 H ATOM 1995 HH21 ARG A 264 -9.633 5.481 -0.672 1.00 0.00 H ATOM 1996 H ARG A 264 -5.329 4.483 3.241 1.00 0.00 H ATOM 1997 N MET A 265 -4.704 7.555 2.183 1.00 16.63 N ATOM 1998 CA MET A 265 -3.983 8.746 1.743 1.00 17.05 C ATOM 1999 C MET A 265 -3.337 8.526 0.384 1.00 16.74 C ATOM 2000 O MET A 265 -3.337 9.425 -0.466 1.00 17.08 O ATOM 2001 CB MET A 265 -2.925 9.136 2.771 1.00 17.91 C ATOM 2002 CG MET A 265 -3.498 9.711 4.043 1.00 19.77 C ATOM 2003 SD MET A 265 -2.278 10.669 4.941 1.00 21.76 S ATOM 2004 CE MET A 265 -1.210 9.366 5.533 1.00 19.79 C ATOM 2005 H MET A 265 -4.371 7.021 3.011 1.00 0.00 H ATOM 2006 N ALA A 266 -2.772 7.338 0.162 1.00 17.63 N ATOM 2007 CA ALA A 266 -2.139 7.053 -1.120 1.00 18.37 C ATOM 2008 C ALA A 266 -3.156 7.006 -2.253 1.00 18.89 C ATOM 2009 O ALA A 266 -2.807 7.295 -3.404 1.00 18.92 O ATOM 2010 CB ALA A 266 -1.342 5.750 -1.035 1.00 17.96 C ATOM 2011 H ALA A 266 -2.783 6.612 0.907 1.00 0.00 H ATOM 2012 N ASP A 267 -4.413 6.664 -1.947 1.00 19.30 N ATOM 2013 CA ASP A 267 -5.470 6.692 -2.956 1.00 20.54 C ATOM 2014 C ASP A 267 -5.532 8.048 -3.647 1.00 23.24 C ATOM 2015 O ASP A 267 -5.809 8.135 -4.849 1.00 23.72 O ATOM 2016 CB ASP A 267 -6.819 6.398 -2.294 1.00 19.38 C ATOM 2017 CG ASP A 267 -7.064 4.917 -2.070 1.00 18.53 C ATOM 2018 OD1 ASP A 267 -6.401 4.082 -2.718 1.00 18.37 O ATOM 2019 OD2 ASP A 267 -7.937 4.583 -1.239 1.00 19.33 O ATOM 2020 H ASP A 267 -4.642 6.373 -0.975 1.00 0.00 H ATOM 2021 N LYS A 268 -5.271 9.119 -2.897 1.00 25.61 N ATOM 2022 CA LYS A 268 -5.351 10.467 -3.442 1.00 28.32 C ATOM 2023 C LYS A 268 -4.178 10.798 -4.354 1.00 29.83 C ATOM 2024 O LYS A 268 -4.254 11.772 -5.108 1.00 30.62 O ATOM 2025 CB LYS A 268 -5.421 11.466 -2.292 1.00 29.53 C ATOM 2026 CG LYS A 268 -6.593 11.224 -1.357 1.00 31.11 C ATOM 2027 CD LYS A 268 -6.329 11.812 0.015 1.00 32.70 C ATOM 2028 CE LYS A 268 -6.936 10.974 1.124 1.00 33.60 C ATOM 2029 NZ LYS A 268 -6.664 11.547 2.471 1.00 33.88 N ATOM 2030 HZ1 LYS A 268 -5.637 11.595 2.625 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 -7.069 12.503 2.528 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 -7.097 10.942 3.198 1.00 0.00 H ATOM 2033 H LYS A 268 -5.004 8.989 -1.900 1.00 0.00 H ATOM 2034 N LEU A 269 -3.099 10.014 -4.303 1.00 30.81 N ATOM 2035 CA LEU A 269 -1.935 10.282 -5.141 1.00 32.38 C ATOM 2036 C LEU A 269 -2.187 9.961 -6.606 1.00 34.84 C ATOM 2037 O LEU A 269 -1.420 10.408 -7.466 1.00 35.07 O ATOM 2038 CB LEU A 269 -0.733 9.470 -4.653 1.00 31.59 C ATOM 2039 CG LEU A 269 -0.030 9.919 -3.372 1.00 31.07 C ATOM 2040 CD1 LEU A 269 1.111 8.966 -3.031 1.00 30.59 C ATOM 2041 CD2 LEU A 269 0.479 11.344 -3.512 1.00 31.42 C ATOM 2042 H LEU A 269 -3.088 9.200 -3.656 1.00 0.00 H ATOM 2043 N ARG A 270 -3.230 9.196 -6.910 1.00 36.76 N ATOM 2044 CA ARG A 270 -3.518 8.814 -8.286 1.00 38.99 C ATOM 2045 C ARG A 270 -4.438 9.829 -8.955 1.00 39.52 C ATOM 2046 O ARG A 270 -5.054 10.660 -8.286 1.00 39.94 O ATOM 2047 CB ARG A 270 -4.148 7.422 -8.330 1.00 40.40 C ATOM 2048 CG ARG A 270 -3.399 6.376 -7.524 1.00 41.80 C ATOM 2049 CD ARG A 270 -4.315 5.236 -7.110 1.00 43.02 C ATOM 2050 NE ARG A 270 -4.253 4.115 -8.044 1.00 44.34 N ATOM 2051 CZ ARG A 270 -5.024 3.992 -9.120 1.00 45.45 C ATOM 2052 NH1 ARG A 270 -4.895 2.936 -9.912 1.00 45.75 N ATOM 2053 NH2 ARG A 270 -5.927 4.921 -9.404 1.00 45.89 N ATOM 2054 HE ARG A 270 -3.560 3.363 -7.855 1.00 0.00 H ATOM 2055 HH12 ARG A 270 -5.498 2.840 -10.754 1.00 0.00 H ATOM 2056 HH11 ARG A 270 -4.190 2.204 -9.691 1.00 0.00 H ATOM 2057 HH22 ARG A 270 -6.528 4.821 -10.247 1.00 0.00 H ATOM 2058 HH21 ARG A 270 -6.034 5.749 -8.784 1.00 0.00 H ATOM 2059 H ARG A 270 -3.855 8.862 -6.148 1.00 0.00 H TER 2060 ARG A 270 HETATM 2061 ZN ZN A 1 13.186 6.806 1.785 1.00 14.16 ZN HETATM 2062 ZN ZN A 2 12.144 7.491 5.856 1.00 8.61 ZN HETATM 2063 O HOH 3 24.187 -0.135 28.661 1.00 27.91 O HETATM 2064 O HOH 4 13.074 -14.159 17.292 1.00 26.58 O HETATM 2065 O HOH 5 10.496 15.969 15.341 1.00 25.14 O HETATM 2066 O HOH 6 10.765 10.907 18.525 1.00 36.61 O HETATM 2067 O HOH 7 28.829 -10.887 4.014 1.00 28.57 O HETATM 2068 O HOH 8 11.968 -0.945 26.553 1.00 13.52 O HETATM 2069 O HOH 9 14.938 -19.284 14.916 1.00 20.04 O HETATM 2070 O HOH 10 31.252 5.393 12.897 1.00 32.79 O HETATM 2071 O HOH 11 6.140 11.954 -6.297 1.00 42.82 O HETATM 2072 O HOH 12 24.568 8.336 20.830 1.00 26.28 O HETATM 2073 O HOH 13 16.223 8.389 -6.871 1.00 32.64 O HETATM 2074 O HOH 14 -6.190 -8.923 9.740 1.00 28.31 O HETATM 2075 O HOH 15 13.662 7.464 3.546 1.00 12.07 O HETATM 2076 O HOH 16 23.132 11.319 16.939 1.00 22.16 O HETATM 2077 O HOH 17 15.081 -17.359 4.092 1.00 34.50 O HETATM 2078 O HOH 18 13.176 -13.636 25.615 1.00 15.24 O HETATM 2079 O HOH 19 32.610 5.206 6.769 1.00 23.21 O HETATM 2080 O HOH 20 2.693 -13.626 6.910 1.00 36.13 O HETATM 2081 O HOH 21 -4.455 3.015 15.751 1.00 27.06 O HETATM 2082 O HOH 22 9.474 -17.912 -7.876 1.00 38.27 O HETATM 2083 O HOH 23 8.375 10.544 14.550 1.00 29.30 O HETATM 2084 O HOH 24 26.358 7.581 5.375 1.00 33.53 O HETATM 2085 O HOH 25 16.797 10.172 -3.773 1.00 15.40 O HETATM 2086 O HOH 26 28.421 -11.316 12.499 1.00 13.44 O HETATM 2087 O HOH 27 4.288 14.861 1.299 1.00 33.52 O HETATM 2088 O HOH 28 -4.297 13.604 11.127 1.00 38.00 O HETATM 2089 O HOH 29 4.986 7.941 9.864 1.00 20.65 O HETATM 2090 O HOH 30 26.470 6.618 2.642 1.00 20.39 O HETATM 2091 O HOH 31 22.007 -17.528 -2.424 1.00 19.88 O HETATM 2092 O HOH 32 -0.132 -5.890 19.149 1.00 34.12 O HETATM 2093 O HOH 33 3.132 2.884 20.243 1.00 30.49 O HETATM 2094 O HOH 34 29.494 -9.451 -1.324 1.00 30.27 O HETATM 2095 O HOH 35 28.329 -13.748 23.713 1.00 33.96 O HETATM 2096 O HOH 36 12.616 3.218 19.870 1.00 8.74 O HETATM 2097 O HOH 37 31.384 -8.889 21.657 1.00 37.80 O HETATM 2098 O HOH 38 6.467 7.871 1.582 1.00 20.00 O HETATM 2099 O HOH 39 31.686 -1.063 3.486 1.00 12.68 O HETATM 2100 O HOH 40 16.273 3.812 10.824 1.00 8.60 O HETATM 2101 O HOH 41 24.617 -14.838 1.974 1.00 20.88 O HETATM 2102 O HOH 42 14.518 -6.790 -6.975 1.00 25.72 O HETATM 2103 O HOH 43 26.312 -6.113 -3.304 1.00 21.82 O HETATM 2104 O HOH 44 24.402 -17.448 6.031 1.00 28.05 O HETATM 2105 O HOH 45 22.901 -15.074 6.422 1.00 15.96 O HETATM 2106 O HOH 46 21.604 -12.827 -0.974 1.00 10.47 O HETATM 2107 O HOH 47 20.757 21.383 11.623 1.00 15.83 O HETATM 2108 O HOH 48 19.172 3.041 28.857 1.00 29.30 O HETATM 2109 O HOH 49 4.476 -11.050 12.179 1.00 43.37 O HETATM 2110 O HOH 50 29.855 5.409 5.013 1.00 23.03 O HETATM 2111 O HOH 51 12.093 8.946 30.736 1.00 37.28 O HETATM 2112 O HOH 52 10.215 -14.789 17.541 1.00 33.61 O HETATM 2113 O HOH 53 -7.923 7.471 6.550 1.00 23.28 O HETATM 2114 O HOH 54 21.943 13.779 14.149 1.00 10.86 O HETATM 2115 O HOH 55 12.411 -13.971 4.774 1.00 15.40 O HETATM 2116 O HOH 56 7.030 2.184 14.652 1.00 9.09 O HETATM 2117 O HOH 57 19.719 -18.993 17.468 1.00 10.84 O HETATM 2118 O HOH 58 32.111 -11.700 10.927 1.00 24.43 O HETATM 2119 O HOH 59 29.297 -3.174 -0.218 1.00 21.42 O HETATM 2120 O HOH 60 -7.894 3.914 8.930 1.00 17.34 O HETATM 2121 O HOH 61 19.254 0.358 27.874 1.00 16.06 O HETATM 2122 O HOH 62 25.502 -13.028 -2.112 1.00 24.12 O HETATM 2123 O HOH 63 28.296 2.745 -3.099 1.00 29.08 O HETATM 2124 O HOH 64 9.949 9.087 -1.970 1.00 17.41 O HETATM 2125 O HOH 65 11.702 1.288 4.190 1.00 9.21 O HETATM 2126 O HOH 66 16.167 -3.374 0.410 1.00 7.84 O HETATM 2127 O HOH 67 6.375 11.373 11.186 1.00 29.44 O HETATM 2128 O HOH 68 9.537 -0.159 3.295 1.00 10.70 O HETATM 2129 O HOH 69 23.503 3.513 -8.453 1.00 19.38 O HETATM 2130 O HOH 70 10.298 -16.450 1.535 1.00 32.02 O HETATM 2131 O HOH 71 25.961 10.882 13.806 1.00 12.04 O HETATM 2132 O HOH 72 25.844 4.013 3.399 1.00 10.28 O HETATM 2133 O HOH 73 -4.736 -5.934 5.572 1.00 35.13 O HETATM 2134 O HOH 74 10.849 5.021 21.107 1.00 15.99 O HETATM 2135 O HOH 75 30.075 -9.478 13.890 1.00 12.67 O HETATM 2136 O HOH 76 13.750 -16.777 17.966 1.00 20.64 O HETATM 2137 O HOH 77 1.567 -4.746 -5.149 1.00 29.08 O HETATM 2138 O HOH 78 -4.627 -4.980 3.027 1.00 33.26 O HETATM 2139 O HOH 79 30.569 -7.739 6.963 1.00 20.18 O HETATM 2140 O HOH 80 26.679 -8.097 20.701 1.00 11.34 O HETATM 2141 O HOH 81 2.052 13.429 9.674 1.00 32.74 O HETATM 2142 O HOH 82 21.374 -0.718 29.540 1.00 20.44 O HETATM 2143 O HOH 83 17.288 4.216 13.568 1.00 7.53 O HETATM 2144 O HOH 84 15.818 -11.200 24.767 1.00 13.09 O HETATM 2145 O HOH 85 -2.275 1.645 -6.302 1.00 23.60 O HETATM 2146 O HOH 86 -8.810 8.743 -0.098 1.00 28.32 O HETATM 2147 O HOH 87 17.753 -2.043 30.307 1.00 15.69 O HETATM 2148 O HOH 88 27.628 -11.821 9.926 1.00 13.53 O HETATM 2149 O HOH 89 24.552 0.164 -9.758 1.00 13.58 O HETATM 2150 O HOH 90 28.334 -7.095 27.440 1.00 28.71 O HETATM 2151 O HOH 91 18.443 9.174 23.707 1.00 10.66 O HETATM 2152 O HOH 92 2.961 14.530 7.945 1.00 45.94 O HETATM 2153 O HOH 93 12.876 4.575 -6.213 1.00 20.54 O HETATM 2154 O HOH 94 29.593 5.620 17.612 1.00 15.61 O HETATM 2155 O HOH 95 27.394 8.036 8.161 1.00 22.60 O HETATM 2156 O HOH 96 -2.827 -4.658 -3.068 1.00 18.48 O HETATM 2157 O HOH 97 11.452 -15.087 24.812 1.00 25.59 O HETATM 2158 O HOH 98 -1.391 5.239 -4.859 1.00 21.06 O HETATM 2159 O HOH 99 5.128 7.915 -9.574 1.00 29.62 O HETATM 2160 O HOH 100 24.595 12.489 7.852 1.00 32.94 O HETATM 2161 O HOH 101 30.502 -0.488 13.968 1.00 11.01 O HETATM 2162 O HOH 102 20.265 9.691 17.150 1.00 11.64 O HETATM 2163 O HOH 103 15.839 24.896 5.368 1.00 16.51 O HETATM 2164 O HOH 104 19.684 9.019 -1.138 1.00 24.25 O HETATM 2165 O HOH 105 8.174 -9.207 -6.649 1.00 27.06 O HETATM 2166 O HOH 106 9.844 6.661 17.048 1.00 18.72 O HETATM 2167 O HOH 107 26.089 -1.856 -5.942 1.00 14.49 O HETATM 2168 O HOH 108 4.410 -7.696 -4.562 1.00 27.14 O HETATM 2169 O HOH 109 6.598 -17.009 19.903 1.00 44.28 O HETATM 2170 O HOH 110 20.028 6.315 29.913 1.00 31.36 O HETATM 2171 O HOH 111 27.157 -5.899 19.148 1.00 9.50 O HETATM 2172 O HOH 112 25.134 10.469 -6.874 1.00 23.95 O HETATM 2173 O HOH 113 1.899 5.927 16.024 1.00 22.18 O HETATM 2174 O HOH 114 30.001 -0.578 18.265 1.00 14.18 O HETATM 2175 O HOH 115 6.889 6.104 8.741 1.00 18.53 O HETATM 2176 O HOH 116 7.157 9.850 6.860 1.00 20.75 O HETATM 2177 O HOH 117 0.907 -14.384 4.445 1.00 29.26 O HETATM 2178 O HOH 118 12.165 -4.356 -6.168 1.00 30.20 O HETATM 2179 O HOH 119 -7.671 1.964 3.136 1.00 12.60 O HETATM 2180 O HOH 120 19.469 9.633 28.968 1.00 26.88 O HETATM 2181 O HOH 121 23.295 7.246 27.660 1.00 33.94 O HETATM 2182 O HOH 122 0.676 -12.056 9.896 1.00 23.11 O HETATM 2183 O HOH 123 18.595 9.478 1.337 1.00 16.84 O HETATM 2184 O HOH 124 18.576 9.944 32.276 1.00 20.24 O HETATM 2185 O HOH 125 -7.535 9.297 4.006 1.00 36.24 O HETATM 2186 O HOH 126 16.664 9.250 4.230 1.00 13.89 O HETATM 2187 O HOH 127 18.401 -4.779 -9.367 1.00 30.17 O HETATM 2188 O HOH 128 -7.142 -0.567 14.114 1.00 17.62 O HETATM 2189 O HOH 129 4.945 -4.057 23.392 1.00 31.53 O HETATM 2190 O HOH 130 0.006 -9.406 -0.250 1.00 26.77 O HETATM 2191 O HOH 131 4.464 8.587 16.771 1.00 23.78 O HETATM 2192 O HOH 132 1.773 -2.342 -6.272 1.00 26.10 O HETATM 2193 O HOH 133 4.435 -8.054 21.469 1.00 34.81 O HETATM 2194 O HOH 134 21.656 15.925 12.328 1.00 17.34 O HETATM 2195 O HOH 135 13.523 -9.360 -7.283 1.00 20.15 O HETATM 2196 O HOH 136 15.614 4.198 -2.617 1.00 12.51 O HETATM 2197 O HOH 137 27.737 5.790 -2.449 1.00 33.90 O HETATM 2198 O HOH 138 24.901 9.317 6.683 1.00 24.05 O HETATM 2199 O HOH 139 -6.714 9.954 10.823 1.00 40.28 O HETATM 2200 O HOH 140 28.871 8.895 11.227 1.00 12.96 O HETATM 2201 O HOH 141 27.866 3.818 5.383 1.00 10.14 O HETATM 2202 O HOH 142 -4.007 -3.697 15.082 1.00 20.60 O HETATM 2203 O HOH 143 14.506 -19.410 -3.610 1.00 22.06 O HETATM 2204 O HOH 144 -5.456 -0.547 -3.839 1.00 19.68 O HETATM 2205 O HOH 145 12.948 9.537 1.557 1.00 25.02 O HETATM 2206 O HOH 146 24.712 -10.559 -3.681 1.00 26.86 O HETATM 2207 O HOH 147 -9.809 2.585 -2.293 1.00 35.60 O HETATM 2208 O HOH 148 28.378 -9.022 16.077 1.00 11.10 O HETATM 2209 O HOH 149 4.560 -9.957 19.712 1.00 29.85 O HETATM 2210 O HOH 150 18.071 -14.970 -7.397 1.00 26.14 O HETATM 2211 O HOH 151 7.618 15.218 -1.283 1.00 28.80 O HETATM 2212 O HOH 152 32.124 -6.569 15.838 1.00 15.67 O HETATM 2213 O HOH 153 19.144 6.594 -8.342 1.00 29.63 O HETATM 2214 O HOH 154 35.258 -5.767 13.997 1.00 39.63 O HETATM 2215 O HOH 155 28.927 0.162 -2.400 1.00 19.57 O HETATM 2216 O HOH 156 32.094 -5.093 3.052 1.00 47.54 O HETATM 2217 O HOH 157 32.832 -6.511 6.150 1.00 29.30 O HETATM 2218 O HOH 158 -6.953 -0.674 3.081 1.00 18.63 O HETATM 2219 O HOH 159 14.268 -9.121 27.459 1.00 13.42 O HETATM 2220 O HOH 160 -9.401 12.721 2.514 1.00 39.05 O HETATM 2221 O HOH 161 3.393 6.543 -10.685 1.00 31.13 O HETATM 2222 O HOH 162 24.215 -14.730 8.770 1.00 25.16 O HETATM 2223 O HOH 163 4.091 -15.260 13.710 1.00 52.59 O HETATM 2224 O HOH 164 31.093 8.099 9.007 1.00 39.73 O HETATM 2225 O HOH 165 -6.404 5.180 15.140 1.00 37.47 O HETATM 2226 O HOH 166 9.097 5.748 28.155 1.00 32.69 O HETATM 2227 O HOH 167 5.319 0.736 21.368 1.00 27.42 O HETATM 2228 O HOH 168 -0.862 -2.510 18.460 1.00 36.65 O HETATM 2229 O HOH 169 8.314 -15.780 -9.429 1.00 29.56 O HETATM 2230 O HOH 170 23.728 -17.231 12.483 1.00 21.13 O HETATM 2231 O HOH 171 -6.930 11.049 5.437 1.00 48.73 O HETATM 2232 O HOH 172 22.174 19.978 9.618 1.00 33.99 O HETATM 2233 O HOH 173 -6.986 5.964 10.705 1.00 23.35 O HETATM 2234 O HOH 174 8.782 5.415 19.270 1.00 14.02 O HETATM 2235 O HOH 175 35.261 -4.810 7.059 1.00 41.85 O HETATM 2236 O HOH 176 8.645 8.384 22.320 1.00 53.63 O HETATM 2237 O HOH 177 17.116 21.757 5.322 1.00 26.45 O HETATM 2238 O HOH 178 2.824 11.690 11.179 1.00 45.45 O HETATM 2239 O HOH 179 28.659 -9.379 21.813 1.00 35.88 O HETATM 2240 O HOH 180 8.821 4.184 30.618 1.00 40.03 O HETATM 2241 O HOH 181 20.097 2.361 -11.072 1.00 28.03 O HETATM 2242 O HOH 182 14.965 5.797 -4.824 1.00 18.84 O HETATM 2243 O HOH 183 6.555 -12.752 21.096 1.00 34.27 O HETATM 2244 O HOH 184 10.750 17.806 10.627 1.00 29.40 O HETATM 2245 O HOH 185 -12.004 7.892 3.769 1.00 45.83 O HETATM 2246 O HOH 186 7.624 -4.956 25.933 1.00 31.24 O HETATM 2247 O HOH 187 12.229 10.282 -0.943 1.00 31.08 O HETATM 2248 O HOH 188 28.952 -11.181 20.432 1.00 27.50 O HETATM 2249 O HOH 189 1.991 -11.549 12.052 1.00 35.11 O HETATM 2250 O HOH 190 7.912 -7.662 25.869 1.00 36.69 O HETATM 2251 O HOH 191 13.044 -11.592 27.591 1.00 15.64 O HETATM 2252 O HOH 192 11.524 7.203 28.747 1.00 40.92 O HETATM 2253 O HOH 193 3.481 -16.358 6.881 1.00 50.83 O HETATM 2254 O HOH 194 9.798 17.068 12.930 1.00 31.38 O HETATM 2255 O HOH 195 11.617 10.177 -9.487 1.00 52.62 O HETATM 2256 O HOH 196 -11.697 4.496 -3.742 1.00 51.54 O HETATM 2257 O HOH 197 9.612 -2.240 -9.656 1.00 52.05 O HETATM 2258 O HOH 198 -3.612 -15.853 8.796 1.00 51.73 O HETATM 2259 O HOH 199 -9.747 10.085 3.041 1.00 39.43 O HETATM 2260 O HOH 200 15.459 10.614 1.271 1.00 40.45 O HETATM 2261 O HOH 201 29.819 -11.422 7.081 1.00 45.96 O HETATM 2262 O HOH 202 34.776 -8.108 12.429 1.00 41.66 O HETATM 2263 O HOH 203 28.946 -5.262 -2.387 1.00 23.29 O HETATM 2264 O HOH 204 25.745 10.527 22.085 1.00 40.92 O HETATM 2265 O HOH 205 31.777 5.176 16.113 1.00 31.45 O HETATM 2266 O HOH 206 28.163 11.352 12.082 1.00 28.68 O HETATM 2267 O HOH 207 7.361 7.681 20.168 1.00 30.04 O HETATM 2268 O HOH 208 -5.468 -7.737 4.083 1.00 51.81 O HETATM 2269 O HOH 209 -9.900 -1.464 0.642 1.00 26.75 O HETATM 2270 O HOH 210 -9.623 8.852 -2.597 1.00 40.96 O HETATM 2271 O HOH 211 31.841 -10.129 6.808 1.00 36.64 O HETATM 2272 O HOH 212 -8.241 8.614 13.980 1.00 51.55 O HETATM 2273 O HOH 213 -5.217 13.136 6.844 1.00 42.90 O HETATM 2274 O HOH 214 -3.662 -6.603 -1.452 1.00 28.38 O HETATM 2275 O HOH 215 -10.012 -0.042 -1.556 1.00 20.44 O HETATM 2276 O HOH 216 30.206 -2.518 20.365 1.00 16.87 O HETATM 2277 O HOH 217 -1.825 -0.305 -8.290 1.00 29.99 O HETATM 2278 O HOH 218 32.415 -10.682 14.284 1.00 34.25 O HETATM 2279 O HOH 219 10.048 -1.655 28.651 1.00 30.99 O HETATM 2280 O HOH 220 15.030 7.162 -8.482 1.00 45.93 O HETATM 2281 O HOH 221 -4.933 1.044 -5.781 1.00 23.61 O HETATM 2282 O HOH 222 -1.759 -8.594 21.610 1.00 49.31 O HETATM 2283 O HOH 223 29.798 -5.075 19.496 1.00 12.58 O HETATM 2284 O HOH 224 7.862 -0.412 30.114 1.00 37.14 O HETATM 2285 O HOH 225 24.455 13.051 13.214 1.00 14.93 O HETATM 2286 O HOH 226 10.401 -8.382 -7.908 1.00 42.63 O HETATM 2287 O HOH 227 3.150 -6.816 20.099 1.00 51.01 O HETATM 2288 O HOH 228 15.663 -5.474 -9.326 1.00 33.83 O HETATM 2289 O HOH 229 9.611 -8.945 28.137 1.00 32.46 O HETATM 2290 O HOH 230 25.524 8.238 18.297 1.00 40.36 O HETATM 2291 O HOH 231 6.487 9.285 18.092 1.00 33.47 O HETATM 2292 O HOH 232 29.354 -13.123 21.740 1.00 51.81 O HETATM 2293 O HOH 233 -7.627 5.691 13.244 1.00 35.78 O HETATM 2294 O HOH 234 8.078 1.793 31.756 1.00 31.14 O HETATM 2295 O HOH 235 -0.984 -5.596 -5.110 1.00 33.03 O HETATM 2296 O HOH 236 -4.583 -3.131 17.927 1.00 49.15 O HETATM 2297 O HOH 237 7.507 4.484 -12.567 1.00 48.62 O HETATM 2298 O HOH 238 5.128 16.024 -1.052 1.00 45.13 O HETATM 2299 O HOH 239 33.690 -3.117 3.885 1.00 36.71 O HETATM 2300 O HOH 240 34.096 -11.260 9.571 1.00 40.87 O HETATM 2301 O HOH 241 8.864 16.397 0.930 1.00 45.67 O HETATM 2302 O HOH 242 22.335 -19.262 16.728 1.00 27.02 O HETATM 2303 O HOH 243 -5.188 -8.401 18.339 1.00 47.47 O HETATM 2304 O HOH 244 5.066 10.314 8.929 1.00 40.48 O HETATM 2305 O HOH 245 25.634 2.663 -10.313 1.00 34.74 O HETATM 2306 O HOH 246 11.280 -17.465 17.262 1.00 37.00 O HETATM 2307 O HOH 247 30.704 -7.157 -1.457 1.00 47.02 O HETATM 2308 O HOH 248 12.964 -6.861 31.257 1.00 43.47 O HETATM 2309 O HOH 249 -0.196 -2.125 -8.088 1.00 35.65 O HETATM 2310 O HOH 250 28.609 -13.800 13.794 1.00 34.91 O HETATM 2311 O HOH 251 23.271 -15.055 -1.213 1.00 24.29 O HETATM 2312 O HOH 252 -6.552 -1.777 17.805 1.00 49.04 O HETATM 2313 O HOH 253 8.798 12.372 10.026 1.00 40.24 O HETATM 2314 O HOH 254 23.996 -20.296 18.699 1.00 42.94 O HETATM 2315 O HOH 255 3.418 -13.306 9.400 1.00 52.21 O HETATM 2316 O HOH 256 26.717 -1.198 -8.534 1.00 24.56 O HETATM 2317 O HOH 257 -9.757 3.102 11.192 1.00 24.73 O HETATM 2318 O HOH 258 23.496 15.879 9.912 1.00 20.96 O HETATM 2319 O HOH 259 -5.041 -3.202 -3.929 1.00 24.83 O HETATM 2320 O HOH 260 29.980 -10.234 17.947 1.00 20.06 O HETATM 2321 O HOH 261 25.906 10.511 16.828 1.00 37.48 O HETATM 2322 O HOH 262 6.158 -17.169 -10.233 1.00 35.66 O HETATM 2323 O HOH 263 31.745 -6.913 20.219 1.00 27.13 O HETATM 2324 O HOH 264 32.058 1.446 18.678 1.00 46.32 O HETATM 2325 O HOH 265 9.012 9.239 16.987 1.00 33.34 O HETATM 2326 O HOH 266 27.918 -6.314 16.529 1.00 10.53 O HETATM 2327 O HOH 267 -9.149 -1.735 -3.614 1.00 37.33 O HETATM 2328 O HOH 268 30.274 -4.758 16.779 1.00 12.48 O HETATM 2329 O HOH 269 27.396 10.521 -7.220 1.00 40.30 O HETATM 2330 O HOH 270 10.726 -11.039 28.616 1.00 27.73 O HETATM 2331 O HOH 271 21.291 16.861 17.125 1.00 53.07 O HETATM 2332 O HOH 272 28.410 -1.128 -4.893 1.00 24.11 O HETATM 2333 O HOH 273 -7.980 -2.410 16.031 1.00 28.58 O HETATM 2334 O HOH 274 -2.085 -8.922 -1.988 1.00 35.39 O HETATM 2335 O HOH 275 12.833 -16.689 3.720 1.00 25.46 O HETATM 2336 O HOH 276 14.106 14.726 -4.951 1.00 41.50 O HETATM 2337 O HOH 277 -5.538 -5.747 18.494 1.00 46.93 O HETATM 2338 O HOH 278 -7.228 -4.065 -2.475 1.00 38.03 O HETATM 2339 O HOH 279 -9.240 1.345 13.538 1.00 17.99 O HETATM 2340 O HOH 280 24.286 22.422 12.187 1.00 35.34 O HETATM 2341 O HOH 281 30.964 -2.121 16.197 1.00 11.38 O HETATM 2342 O HOH 282 32.069 -8.441 17.825 1.00 33.44 O HETATM 2343 O HOH 283 -8.814 3.155 15.348 1.00 30.23 O HETATM 2344 O HOH 284 -6.724 -13.074 7.533 1.00 44.96 O HETATM 2345 O HOH 285 31.581 -14.220 12.176 1.00 44.20 O HETATM 2346 O HOH 286 9.649 -14.611 26.987 1.00 28.60 O HETATM 2347 O HOH 287 -5.642 -13.488 5.322 1.00 34.74 O HETATM 2348 O HOH 288 4.109 -0.215 26.951 1.00 43.66 O HETATM 2349 O HOH 289 36.082 -2.993 4.934 1.00 39.00 O HETATM 2350 O HOH 290 30.972 -12.720 16.482 1.00 31.87 O HETATM 2351 O HOH 291 33.480 -3.423 0.365 1.00 33.11 O HETATM 2352 O HOH 292 24.921 14.020 10.616 1.00 29.44 O HETATM 2353 O HOH 293 28.130 2.701 -9.732 1.00 36.89 O HETATM 2354 O HOH 294 -1.340 -8.119 -4.391 1.00 46.34 O HETATM 2355 O HOH 295 -4.457 -15.576 6.375 1.00 35.78 O HETATM 2356 O HOH 296 29.916 0.231 -6.717 1.00 35.29 O HETATM 2357 O HOH 297 7.423 -15.371 25.930 1.00 42.81 O HETATM 2358 O HOH 298 5.310 18.596 -1.345 1.00 53.96 O HETATM 2359 O HOH 299 7.588 -8.921 29.991 1.00 40.33 O HETATM 2360 O HOH 300 10.932 -11.079 31.375 1.00 36.23 O HETATM 2361 O HOH 301 29.216 2.751 -12.194 1.00 39.77 O HETATM 2362 O HOH 302 -7.803 -14.370 4.175 1.00 48.54 O HETATM 2363 O HOH 303 8.728 -10.489 31.956 1.00 29.57 O HETATM 2364 O HOH 304 -3.647 -8.239 -7.084 1.00 53.59 O HETATM 2365 O HOH 305 -11.877 -3.510 -4.735 1.00 47.06 O HETATM 2366 C02 N A 1 13.444 10.984 4.728 1.00 0.25 C HETATM 2367 C09 N A 1 14.329 12.147 5.129 1.00 0.12 C HETATM 2368 C25 N A 1 13.951 13.071 6.042 1.00 -0.02 C HETATM 2369 C18 N A 1 14.964 13.964 6.151 1.00 0.11 C HETATM 2370 C19 N A 1 14.920 15.132 7.106 1.00 0.01 C HETATM 2371 C20 N A 1 14.045 16.185 6.908 1.00 -0.05 C HETATM 2372 C21 N A 1 14.037 17.229 7.817 1.00 -0.06 C HETATM 2373 C22 N A 1 14.887 17.188 8.914 1.00 -0.06 C HETATM 2374 C23 N A 1 15.754 16.125 9.099 1.00 -0.06 C HETATM 2375 C24 N A 1 15.765 15.086 8.195 1.00 -0.05 C HETATM 2376 H10 N A 1 16.430 14.242 8.338 1.00 0.06 H HETATM 2377 H9 N A 1 16.422 16.110 9.953 1.00 0.06 H HETATM 2378 H8 N A 1 14.871 17.998 9.634 1.00 0.06 H HETATM 2379 H7 N A 1 13.372 18.073 7.673 1.00 0.06 H HETATM 2380 H6 N A 1 13.376 16.192 6.055 1.00 0.06 H HETATM 2381 N11 N A 1 15.959 13.605 5.342 1.00 -0.15 N HETATM 2382 C12 N A 1 17.231 14.287 5.146 1.00 0.11 C HETATM 2383 C13 N A 1 18.432 13.597 5.174 1.00 -0.02 C HETATM 2384 C14 N A 1 19.634 14.265 4.979 1.00 -0.07 C HETATM 2385 C15 N A 1 19.638 15.628 4.749 1.00 -0.07 C HETATM 2386 C16 N A 1 18.441 16.318 4.725 1.00 -0.07 C HETATM 2387 C17 N A 1 17.244 15.650 4.921 1.00 -0.02 C HETATM 2388 H5 N A 1 16.311 16.201 4.898 1.00 0.06 H HETATM 2389 H4 N A 1 18.439 17.388 4.552 1.00 0.06 H HETATM 2390 H3 N A 1 20.573 16.152 4.589 1.00 0.06 H HETATM 2391 H2 N A 1 20.569 13.717 5.007 1.00 0.06 H HETATM 2392 H1 N A 1 18.434 12.527 5.349 1.00 0.06 H HETATM 2393 N10 N A 1 15.543 12.454 4.684 1.00 -0.18 N HETATM 2394 H11 N A 1 13.009 13.093 6.587 1.00 0.04 H HETATM 2395 N03 N A 1 12.029 11.171 4.924 1.00 -0.18 N HETATM 2396 C04 N A 1 11.014 10.197 4.612 1.00 0.28 C HETATM 2397 N05 N A 1 9.784 10.518 4.131 1.00 -0.14 N HETATM 2398 N06 N A 1 9.098 9.277 3.982 1.00 -0.08 N HETATM 2399 N07 N A 1 9.974 8.318 4.390 1.00 -0.17 N HETATM 2400 N08 N A 1 11.059 8.929 4.739 1.00 -0.22 N HETATM 2401 H13 N A 1 9.424 11.459 3.919 1.00 0.27 H HETATM 2402 H12 N A 1 11.728 12.045 5.306 1.00 0.24 H HETATM 2403 O01 N A 1 13.898 9.980 4.294 1.00 -0.37 O CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 747 745 746 2061 CONECT 761 760 763 2061 CONECT 785 783 2062 CONECT 1341 1339 1340 2061 CONECT 1494 1493 2062 CONECT 1867 1865 1866 2062 CONECT 2061 747 761 1341 CONECT 2062 785 1494 1867 CONECT 2366 2367 2395 2403 CONECT 2367 2366 2368 2393 CONECT 2368 2367 2369 2394 CONECT 2369 2368 2370 2381 CONECT 2370 2369 2371 2375 CONECT 2371 2370 2372 2380 CONECT 2372 2371 2373 2379 CONECT 2373 2372 2374 2378 CONECT 2374 2373 2375 2377 CONECT 2375 2370 2374 2376 CONECT 2376 2375 CONECT 2377 2374 CONECT 2378 2373 CONECT 2379 2372 CONECT 2380 2371 CONECT 2381 2369 2382 2393 CONECT 2382 2381 2383 2387 CONECT 2383 2382 2384 2392 CONECT 2384 2383 2385 2391 CONECT 2385 2384 2386 2390 CONECT 2386 2385 2387 2389 CONECT 2387 2382 2386 2388 CONECT 2388 2387 CONECT 2389 2386 CONECT 2390 2385 CONECT 2391 2384 CONECT 2392 2383 CONECT 2393 2367 2381 CONECT 2394 2368 CONECT 2395 2366 2396 2402 CONECT 2396 2395 2397 2400 CONECT 2397 2396 2398 2401 CONECT 2398 2397 2399 CONECT 2399 2398 2400 CONECT 2400 2396 2399 CONECT 2401 2397 CONECT 2402 2395 CONECT 2403 2366 MASTER 0 0 0 0 0 0 0 0 2402 1 50 18 END
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Related entries of code: 6mdu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4exs
RCSB PDB
PDBbind
272aa, >4EXS_1|Chains... *
5a5z
RCSB PDB
PDBbind
251aa, >5A5Z_1|Chains... at 96%
6rmf
RCSB PDB
PDBbind
244aa, >6RMF_1|Chains... at 99%
6q2y
RCSB PDB
PDBbind
244aa, >6Q2Y_1|Chains... at 100%
6q30
RCSB PDB
PDBbind
244aa, >6Q30_1|Chains... at 100%
6ovz
RCSB PDB
PDBbind
235aa, >6OVZ_1|Chains... at 100%
6ibv
RCSB PDB
PDBbind
244aa, >6IBV_1|Chains... at 100%
6ibs
RCSB PDB
PDBbind
244aa, >6IBS_1|Chains... at 100%
6efj
RCSB PDB
PDBbind
233aa, >6EFJ_1|Chain... at 98%
6d1k
RCSB PDB
PDBbind
233aa, >6D1K_1|Chain... at 98%
6d1i
RCSB PDB
PDBbind
233aa, >6D1I_1|Chain... at 98%
6d1j
RCSB PDB
PDBbind
233aa, >6D1J_1|Chain... at 98%
6d1h
RCSB PDB
PDBbind
233aa, >6D1H_1|Chain... at 98%
6d1g
RCSB PDB
PDBbind
233aa, >6D1G_1|Chain... at 98%
6d1d
RCSB PDB
PDBbind
233aa, >6D1D_1|Chain... at 98%
6d1b
RCSB PDB
PDBbind
233aa, >6D1B_1|Chain... at 98%
6d1a
RCSB PDB
PDBbind
233aa, >6D1A_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6mll
RCSB PDB
PDBbind
N1G
Entry Information
PDB ID
6mdu
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
N1G
EC.Number
E.C.3.5.2.6
Resolution
1.15(Å)
Affinity (Kd/Ki/IC50)
Ki=56uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Infect Dis. Vol. 5: pp. 1013-1021
Ligand Properties
Formula
C
1
7
H
1
3
N
7
O
Molecular Weight
331.331
Exact Mass
331.118
No. of atoms
38
No. of bonds
41
Polar Surface Area
101.38
LOGP Value
2.68 (
Computed with XLOGP3
)
2.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
O=C(c1cc(n(n1)c1ccccc1)c1ccccc1)Nc1[nH]nnn1
InChI String
InChI=1S/C17H13N7O/c25-16(18-17-19-22-23-20-17)14-11-15(12-7-3-1-4-8-12)24(21-14)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,22,23,25)
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):
C7C422
Entrez Gene ID
NCBI Entrez Gene ID:
61419528
ASD
Information of known allosteric effects of PDB entries
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