Browse entries in the PDBbind-CN Database
HEADER 6CO4_COMPLEX COMPND 6CO4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 ASN LYS TYR LEU VAL GLU PHE ARG ALA GLY LYS MET SER SEQRES 2 A 113 LEU LYS GLY THR THR VAL THR PRO ASP LYS ARG LYS GLY SEQRES 3 A 113 LEU VAL TYR ILE GLN GLN THR ASP ASP SER LEU ILE HIS SEQRES 4 A 113 PHE CYS TRP LYS ASP ARG THR SER GLY ASN VAL GLU ASP SEQRES 5 A 113 ASP LEU ILE ILE PHE PRO ASP ASP CYS GLU PHE LYS ARG SEQRES 6 A 113 VAL PRO GLN CYS PRO SER GLY ARG VAL TYR VAL LEU LYS SEQRES 7 A 113 PHE LYS ALA GLY SER LYS ARG LEU PHE PHE TRP MET GLN SEQRES 8 A 113 GLU PRO LYS THR ASP GLN ASP GLU GLU HIS CYS ARG LYS SEQRES 9 A 113 VAL ASN GLU TYR LEU ASN ASN PRO PRO HET GLN A 114 220 ATOM 1 N ASN A 20 81.931 0.607 16.665 1.00 0.00 N ATOM 2 CA ASN A 20 80.609 1.032 16.124 1.00 0.00 C ATOM 3 C ASN A 20 79.585 1.086 17.256 1.00 0.00 C ATOM 4 O ASN A 20 79.644 0.296 18.199 1.00 0.00 O ATOM 5 CB ASN A 20 80.156 0.035 15.056 1.00 0.00 C ATOM 6 CG ASN A 20 81.297 -0.249 14.082 1.00 0.00 C ATOM 7 OD1 ASN A 20 81.753 -1.387 13.976 1.00 0.00 O ATOM 8 ND2 ASN A 20 81.783 0.721 13.356 1.00 0.00 N ATOM 9 HD22 ASN A 20 81.397 1.682 13.447 1.00 0.00 H ATOM 10 HD21 ASN A 20 82.557 0.532 12.687 1.00 0.00 H ATOM 11 HN3 ASN A 20 81.841 -0.335 17.096 1.00 0.00 H ATOM 12 HN2 ASN A 20 82.246 1.289 17.384 1.00 0.00 H ATOM 13 HN1 ASN A 20 82.625 0.571 15.892 1.00 0.00 H ATOM 14 N LYS A 21 78.648 2.024 17.154 1.00 0.00 N ATOM 15 CA LYS A 21 77.615 2.184 18.166 1.00 0.00 C ATOM 16 C LYS A 21 76.228 2.106 17.532 1.00 0.00 C ATOM 17 O LYS A 21 76.005 2.642 16.447 1.00 0.00 O ATOM 18 CB LYS A 21 77.797 3.527 18.873 1.00 0.00 C ATOM 19 CG LYS A 21 76.442 4.035 19.351 1.00 0.00 C ATOM 20 CD LYS A 21 76.642 5.177 20.349 1.00 0.00 C ATOM 21 CE LYS A 21 77.283 6.371 19.638 1.00 0.00 C ATOM 22 NZ LYS A 21 77.468 7.484 20.611 1.00 0.00 N ATOM 23 HZ1 LYS A 21 76.543 7.763 20.996 1.00 0.00 H ATOM 24 HZ2 LYS A 21 78.086 7.167 21.385 1.00 0.00 H ATOM 25 HZ3 LYS A 21 77.904 8.296 20.129 1.00 0.00 H ATOM 26 H LYS A 21 78.654 2.659 16.330 1.00 0.00 H ATOM 27 N TYR A 22 75.297 1.437 18.213 1.00 0.00 N ATOM 28 CA TYR A 22 73.952 1.301 17.697 1.00 0.00 C ATOM 29 C TYR A 22 73.083 2.419 18.241 1.00 0.00 C ATOM 30 O TYR A 22 72.786 2.472 19.434 1.00 0.00 O ATOM 31 CB TYR A 22 73.374 -0.054 18.099 1.00 0.00 C ATOM 32 CG TYR A 22 73.877 -1.131 17.163 1.00 0.00 C ATOM 33 CD1 TYR A 22 75.106 -0.988 16.498 1.00 0.00 C ATOM 34 CD2 TYR A 22 73.110 -2.283 16.967 1.00 0.00 C ATOM 35 CE1 TYR A 22 75.559 -1.997 15.641 1.00 0.00 C ATOM 36 CE2 TYR A 22 73.565 -3.293 16.109 1.00 0.00 C ATOM 37 CZ TYR A 22 74.789 -3.150 15.447 1.00 0.00 C ATOM 38 OH TYR A 22 75.233 -4.141 14.598 1.00 0.00 O ATOM 39 HH TYR A 22 76.109 -3.880 14.217 1.00 0.00 H ATOM 40 H TYR A 22 75.541 1.007 19.128 1.00 0.00 H ATOM 41 N LEU A 23 72.684 3.310 17.352 1.00 0.00 N ATOM 42 CA LEU A 23 71.856 4.429 17.729 1.00 0.00 C ATOM 43 C LEU A 23 70.490 3.942 18.181 1.00 0.00 C ATOM 44 O LEU A 23 69.906 4.481 19.122 1.00 0.00 O ATOM 45 CB LEU A 23 71.705 5.389 16.554 1.00 0.00 C ATOM 46 CG LEU A 23 73.058 6.025 16.210 1.00 0.00 C ATOM 47 CD1 LEU A 23 72.919 6.844 14.924 1.00 0.00 C ATOM 48 CD2 LEU A 23 73.502 6.948 17.348 1.00 0.00 C ATOM 49 H LEU A 23 72.973 3.203 16.359 1.00 0.00 H ATOM 50 N VAL A 24 69.983 2.913 17.508 1.00 0.00 N ATOM 51 CA VAL A 24 68.674 2.365 17.868 1.00 0.00 C ATOM 52 C VAL A 24 68.642 0.875 17.576 1.00 0.00 C ATOM 53 O VAL A 24 69.476 0.365 16.835 1.00 0.00 O ATOM 54 CB VAL A 24 67.551 3.069 17.096 1.00 0.00 C ATOM 55 CG1 VAL A 24 67.200 2.273 15.837 1.00 0.00 C ATOM 56 CG2 VAL A 24 66.306 3.189 17.992 1.00 0.00 C ATOM 57 H VAL A 24 70.520 2.495 16.721 1.00 0.00 H ATOM 58 N GLU A 25 67.678 0.187 18.162 1.00 0.00 N ATOM 59 CA GLU A 25 67.540 -1.249 17.952 1.00 0.00 C ATOM 60 C GLU A 25 66.281 -1.780 18.615 1.00 0.00 C ATOM 61 O GLU A 25 66.097 -1.657 19.827 1.00 0.00 O ATOM 62 CB GLU A 25 68.754 -1.985 18.521 1.00 0.00 C ATOM 63 CG GLU A 25 69.269 -1.247 19.764 1.00 0.00 C ATOM 64 CD GLU A 25 70.181 -2.162 20.577 1.00 0.00 C ATOM 65 OE1 GLU A 25 70.945 -2.895 19.973 1.00 0.00 O ATOM 66 OE2 GLU A 25 70.100 -2.114 21.794 1.00 0.00 O ATOM 67 H GLU A 25 67.005 0.679 18.784 1.00 0.00 H ATOM 68 N PHE A 26 65.433 -2.395 17.810 1.00 0.00 N ATOM 69 CA PHE A 26 64.197 -2.971 18.322 1.00 0.00 C ATOM 70 C PHE A 26 63.706 -4.103 17.423 1.00 0.00 C ATOM 71 O PHE A 26 64.020 -4.150 16.235 1.00 0.00 O ATOM 72 CB PHE A 26 63.139 -1.882 18.449 1.00 0.00 C ATOM 73 CG PHE A 26 62.908 -1.235 17.107 1.00 0.00 C ATOM 74 CD1 PHE A 26 61.938 -1.744 16.242 1.00 0.00 C ATOM 75 CD2 PHE A 26 63.664 -0.117 16.736 1.00 0.00 C ATOM 76 CE1 PHE A 26 61.723 -1.137 15.002 1.00 0.00 C ATOM 77 CE2 PHE A 26 63.451 0.493 15.501 1.00 0.00 C ATOM 78 CZ PHE A 26 62.479 -0.015 14.629 1.00 0.00 C ATOM 79 H PHE A 26 65.651 -2.469 16.796 1.00 0.00 H ATOM 80 N ARG A 27 62.935 -5.017 17.999 1.00 0.00 N ATOM 81 CA ARG A 27 62.421 -6.146 17.241 1.00 0.00 C ATOM 82 C ARG A 27 61.339 -5.689 16.274 1.00 0.00 C ATOM 83 O ARG A 27 60.320 -5.132 16.686 1.00 0.00 O ATOM 84 CB ARG A 27 61.842 -7.191 18.198 1.00 0.00 C ATOM 85 CG ARG A 27 62.953 -7.757 19.087 1.00 0.00 C ATOM 86 CD ARG A 27 62.332 -8.631 20.180 1.00 0.00 C ATOM 87 NE ARG A 27 61.618 -7.801 21.146 1.00 0.00 N ATOM 88 CZ ARG A 27 62.249 -7.164 22.135 1.00 0.00 C ATOM 89 NH1 ARG A 27 63.547 -7.257 22.279 1.00 0.00 N ATOM 90 NH2 ARG A 27 61.561 -6.437 22.969 1.00 0.00 N ATOM 91 HE ARG A 27 60.586 -7.703 21.061 1.00 0.00 H ATOM 92 HH12 ARG A 27 64.021 -6.754 23.056 1.00 0.00 H ATOM 93 HH11 ARG A 27 64.104 -7.834 21.617 1.00 0.00 H ATOM 94 HH22 ARG A 27 62.043 -5.937 23.743 1.00 0.00 H ATOM 95 HH21 ARG A 27 60.530 -6.357 22.861 1.00 0.00 H ATOM 96 H ARG A 27 62.695 -4.924 19.007 1.00 0.00 H ATOM 97 N ALA A 28 61.557 -5.942 14.989 1.00 0.00 N ATOM 98 CA ALA A 28 60.581 -5.566 13.975 1.00 0.00 C ATOM 99 C ALA A 28 60.760 -6.417 12.728 1.00 0.00 C ATOM 100 O ALA A 28 61.882 -6.737 12.330 1.00 0.00 O ATOM 101 CB ALA A 28 60.721 -4.083 13.605 1.00 0.00 C ATOM 102 H ALA A 28 62.437 -6.416 14.702 1.00 0.00 H ATOM 103 N GLY A 29 59.651 -6.775 12.109 1.00 0.00 N ATOM 104 CA GLY A 29 59.704 -7.579 10.898 1.00 0.00 C ATOM 105 C GLY A 29 59.404 -6.713 9.681 1.00 0.00 C ATOM 106 O GLY A 29 58.739 -5.683 9.790 1.00 0.00 O ATOM 107 H GLY A 29 58.730 -6.479 12.491 1.00 0.00 H ATOM 108 N LYS A 30 59.915 -7.122 8.527 1.00 0.00 N ATOM 109 CA LYS A 30 59.710 -6.361 7.302 1.00 0.00 C ATOM 110 C LYS A 30 58.466 -6.831 6.563 1.00 0.00 C ATOM 111 O LYS A 30 57.868 -7.843 6.918 1.00 0.00 O ATOM 112 CB LYS A 30 60.926 -6.491 6.385 1.00 0.00 C ATOM 113 CG LYS A 30 61.213 -7.966 6.118 1.00 0.00 C ATOM 114 CD LYS A 30 61.955 -8.091 4.790 1.00 0.00 C ATOM 115 CE LYS A 30 63.353 -7.487 4.915 1.00 0.00 C ATOM 116 NZ LYS A 30 64.082 -7.659 3.626 1.00 0.00 N ATOM 117 HZ1 LYS A 30 64.159 -8.672 3.405 1.00 0.00 H ATOM 118 HZ2 LYS A 30 63.560 -7.176 2.867 1.00 0.00 H ATOM 119 HZ3 LYS A 30 65.034 -7.248 3.710 1.00 0.00 H ATOM 120 H LYS A 30 60.471 -8.000 8.496 1.00 0.00 H ATOM 121 N MET A 31 58.073 -6.080 5.541 1.00 0.00 N ATOM 122 CA MET A 31 56.887 -6.425 4.765 1.00 0.00 C ATOM 123 C MET A 31 57.166 -6.246 3.269 1.00 0.00 C ATOM 124 O MET A 31 58.229 -5.761 2.882 1.00 0.00 O ATOM 125 CB MET A 31 55.716 -5.531 5.173 1.00 0.00 C ATOM 126 CG MET A 31 55.681 -5.346 6.700 1.00 0.00 C ATOM 127 SD MET A 31 54.344 -4.202 7.146 1.00 0.00 S ATOM 128 CE MET A 31 52.950 -5.308 6.834 1.00 0.00 C ATOM 129 H MET A 31 58.620 -5.232 5.290 1.00 0.00 H ATOM 130 N SER A 32 56.207 -6.635 2.430 1.00 0.00 N ATOM 131 CA SER A 32 56.371 -6.504 0.989 1.00 0.00 C ATOM 132 C SER A 32 55.154 -5.829 0.376 1.00 0.00 C ATOM 133 O SER A 32 54.056 -6.386 0.383 1.00 0.00 O ATOM 134 CB SER A 32 56.550 -7.885 0.359 1.00 0.00 C ATOM 135 OG SER A 32 57.776 -8.449 0.806 1.00 0.00 O ATOM 136 HG SER A 32 57.894 -9.344 0.399 1.00 0.00 H ATOM 137 H SER A 32 55.327 -7.039 2.810 1.00 0.00 H ATOM 138 N LEU A 33 55.352 -4.636 -0.168 1.00 0.00 N ATOM 139 CA LEU A 33 54.261 -3.917 -0.793 1.00 0.00 C ATOM 140 C LEU A 33 54.354 -4.031 -2.308 1.00 0.00 C ATOM 141 O LEU A 33 55.313 -3.561 -2.920 1.00 0.00 O ATOM 142 CB LEU A 33 54.290 -2.443 -0.369 1.00 0.00 C ATOM 143 CG LEU A 33 53.327 -1.627 -1.247 1.00 0.00 C ATOM 144 CD1 LEU A 33 51.916 -2.208 -1.155 1.00 0.00 C ATOM 145 CD2 LEU A 33 53.296 -0.180 -0.757 1.00 0.00 C ATOM 146 H LEU A 33 56.301 -4.212 -0.146 1.00 0.00 H ATOM 147 N LYS A 34 53.345 -4.649 -2.908 1.00 0.00 N ATOM 148 CA LYS A 34 53.316 -4.813 -4.354 1.00 0.00 C ATOM 149 C LYS A 34 52.024 -4.236 -4.923 1.00 0.00 C ATOM 150 O LYS A 34 50.929 -4.618 -4.509 1.00 0.00 O ATOM 151 CB LYS A 34 53.429 -6.297 -4.707 1.00 0.00 C ATOM 152 CG LYS A 34 54.821 -6.809 -4.347 1.00 0.00 C ATOM 153 CD LYS A 34 54.922 -8.293 -4.704 1.00 0.00 C ATOM 154 CE LYS A 34 56.314 -8.809 -4.341 1.00 0.00 C ATOM 155 NZ LYS A 34 56.412 -10.257 -4.679 1.00 0.00 N ATOM 156 HZ1 LYS A 34 55.695 -10.786 -4.143 1.00 0.00 H ATOM 157 HZ2 LYS A 34 56.249 -10.386 -5.698 1.00 0.00 H ATOM 158 HZ3 LYS A 34 57.360 -10.606 -4.431 1.00 0.00 H ATOM 159 H LYS A 34 52.561 -5.023 -2.335 1.00 0.00 H ATOM 160 N GLY A 35 52.161 -3.313 -5.872 1.00 0.00 N ATOM 161 CA GLY A 35 50.997 -2.684 -6.488 1.00 0.00 C ATOM 162 C GLY A 35 50.290 -1.775 -5.489 1.00 0.00 C ATOM 163 O GLY A 35 50.580 -0.581 -5.404 1.00 0.00 O ATOM 164 H GLY A 35 53.115 -3.035 -6.180 1.00 0.00 H ATOM 165 N THR A 36 49.365 -2.355 -4.733 1.00 0.00 N ATOM 166 CA THR A 36 48.622 -1.602 -3.729 1.00 0.00 C ATOM 167 C THR A 36 48.266 -2.489 -2.538 1.00 0.00 C ATOM 168 O THR A 36 47.332 -2.194 -1.796 1.00 0.00 O ATOM 169 CB THR A 36 47.347 -1.024 -4.342 1.00 0.00 C ATOM 170 OG1 THR A 36 46.775 -1.974 -5.231 1.00 0.00 O ATOM 171 CG2 THR A 36 47.685 0.263 -5.095 1.00 0.00 C ATOM 172 HG1 THR A 36 45.949 -1.598 -5.627 1.00 0.00 H ATOM 173 H THR A 36 49.166 -3.368 -4.860 1.00 0.00 H ATOM 174 N THR A 37 49.013 -3.575 -2.364 1.00 0.00 N ATOM 175 CA THR A 37 48.761 -4.494 -1.261 1.00 0.00 C ATOM 176 C THR A 37 50.026 -4.692 -0.434 1.00 0.00 C ATOM 177 O THR A 37 51.103 -4.934 -0.980 1.00 0.00 O ATOM 178 CB THR A 37 48.289 -5.845 -1.801 1.00 0.00 C ATOM 179 OG1 THR A 37 47.106 -5.660 -2.564 1.00 0.00 O ATOM 180 CG2 THR A 37 47.999 -6.792 -0.634 1.00 0.00 C ATOM 181 HG1 THR A 37 46.800 -6.534 -2.914 1.00 0.00 H ATOM 182 H THR A 37 49.790 -3.772 -3.026 1.00 0.00 H ATOM 183 N VAL A 38 49.893 -4.591 0.881 1.00 0.00 N ATOM 184 CA VAL A 38 51.035 -4.762 1.764 1.00 0.00 C ATOM 185 C VAL A 38 50.942 -6.106 2.472 1.00 0.00 C ATOM 186 O VAL A 38 49.974 -6.372 3.186 1.00 0.00 O ATOM 187 CB VAL A 38 51.055 -3.644 2.812 1.00 0.00 C ATOM 188 CG1 VAL A 38 52.266 -3.820 3.730 1.00 0.00 C ATOM 189 CG2 VAL A 38 51.138 -2.284 2.118 1.00 0.00 C ATOM 190 H VAL A 38 48.958 -4.386 1.287 1.00 0.00 H ATOM 191 N THR A 39 51.949 -6.950 2.279 1.00 0.00 N ATOM 192 CA THR A 39 51.957 -8.252 2.916 1.00 0.00 C ATOM 193 C THR A 39 53.146 -8.367 3.876 1.00 0.00 C ATOM 194 O THR A 39 54.290 -8.243 3.454 1.00 0.00 O ATOM 195 CB THR A 39 52.051 -9.339 1.857 1.00 0.00 C ATOM 196 OG1 THR A 39 53.145 -9.071 0.988 1.00 0.00 O ATOM 197 CG2 THR A 39 50.744 -9.379 1.063 1.00 0.00 C ATOM 198 HG1 THR A 39 53.008 -8.195 0.548 1.00 0.00 H ATOM 199 H THR A 39 52.741 -6.674 1.664 1.00 0.00 H ATOM 200 N PRO A 40 52.917 -8.592 5.150 1.00 0.00 N ATOM 201 CA PRO A 40 54.022 -8.704 6.149 1.00 0.00 C ATOM 202 C PRO A 40 54.842 -9.982 5.998 1.00 0.00 C ATOM 203 O PRO A 40 54.322 -11.031 5.617 1.00 0.00 O ATOM 204 CB PRO A 40 53.302 -8.671 7.496 1.00 0.00 C ATOM 205 CG PRO A 40 51.922 -9.159 7.217 1.00 0.00 C ATOM 206 CD PRO A 40 51.599 -8.761 5.782 1.00 0.00 C ATOM 207 N ASP A 41 56.128 -9.880 6.312 1.00 0.00 N ATOM 208 CA ASP A 41 57.020 -11.024 6.223 1.00 0.00 C ATOM 209 C ASP A 41 57.133 -11.694 7.586 1.00 0.00 C ATOM 210 O ASP A 41 57.372 -11.032 8.598 1.00 0.00 O ATOM 211 CB ASP A 41 58.402 -10.580 5.741 1.00 0.00 C ATOM 212 CG ASP A 41 58.841 -11.443 4.563 1.00 0.00 C ATOM 213 OD1 ASP A 41 58.523 -12.621 4.566 1.00 0.00 O ATOM 214 OD2 ASP A 41 59.485 -10.913 3.672 1.00 0.00 O ATOM 215 H ASP A 41 56.504 -8.963 6.628 1.00 0.00 H ATOM 216 N LYS A 42 56.948 -13.004 7.607 1.00 0.00 N ATOM 217 CA LYS A 42 57.019 -13.756 8.851 1.00 0.00 C ATOM 218 C LYS A 42 58.457 -13.837 9.365 1.00 0.00 C ATOM 219 O LYS A 42 58.687 -14.220 10.511 1.00 0.00 O ATOM 220 CB LYS A 42 56.472 -15.170 8.641 1.00 0.00 C ATOM 221 CG LYS A 42 54.942 -15.143 8.658 1.00 0.00 C ATOM 222 CD LYS A 42 54.426 -14.618 7.317 1.00 0.00 C ATOM 223 CE LYS A 42 53.009 -15.141 7.076 1.00 0.00 C ATOM 224 NZ LYS A 42 52.115 -14.670 8.171 1.00 0.00 N ATOM 225 HZ1 LYS A 42 52.467 -15.027 9.082 1.00 0.00 H ATOM 226 HZ2 LYS A 42 52.104 -13.630 8.185 1.00 0.00 H ATOM 227 HZ3 LYS A 42 51.151 -15.026 8.007 1.00 0.00 H ATOM 228 H LYS A 42 56.748 -13.506 6.718 1.00 0.00 H ATOM 229 N ARG A 43 59.415 -13.480 8.511 1.00 0.00 N ATOM 230 CA ARG A 43 60.829 -13.516 8.888 1.00 0.00 C ATOM 231 C ARG A 43 61.153 -12.354 9.818 1.00 0.00 C ATOM 232 O ARG A 43 61.916 -11.457 9.464 1.00 0.00 O ATOM 233 CB ARG A 43 61.714 -13.420 7.643 1.00 0.00 C ATOM 234 CG ARG A 43 61.222 -12.277 6.752 1.00 0.00 C ATOM 235 CD ARG A 43 62.282 -11.933 5.712 1.00 0.00 C ATOM 236 NE ARG A 43 62.567 -13.096 4.888 1.00 0.00 N ATOM 237 CZ ARG A 43 63.559 -13.095 3.999 1.00 0.00 C ATOM 238 NH1 ARG A 43 64.306 -12.034 3.829 1.00 0.00 N ATOM 239 NH2 ARG A 43 63.790 -14.165 3.292 1.00 0.00 N ATOM 240 HE ARG A 43 61.982 -13.949 4.995 1.00 0.00 H ATOM 241 HH12 ARG A 43 65.077 -12.047 3.131 1.00 0.00 H ATOM 242 HH11 ARG A 43 64.129 -11.178 4.392 1.00 0.00 H ATOM 243 HH22 ARG A 43 64.563 -14.172 2.596 1.00 0.00 H ATOM 244 HH21 ARG A 43 63.202 -15.012 3.424 1.00 0.00 H ATOM 245 H ARG A 43 59.152 -13.168 7.554 1.00 0.00 H ATOM 246 N LYS A 44 60.562 -12.383 11.000 1.00 0.00 N ATOM 247 CA LYS A 44 60.771 -11.335 11.988 1.00 0.00 C ATOM 248 C LYS A 44 62.254 -11.018 12.139 1.00 0.00 C ATOM 249 O LYS A 44 63.076 -11.926 12.192 1.00 0.00 O ATOM 250 CB LYS A 44 60.198 -11.774 13.341 1.00 0.00 C ATOM 251 CG LYS A 44 60.646 -13.200 13.676 1.00 0.00 C ATOM 252 CD LYS A 44 59.973 -13.659 14.974 1.00 0.00 C ATOM 253 CE LYS A 44 60.573 -12.908 16.161 1.00 0.00 C ATOM 254 NZ LYS A 44 59.959 -13.407 17.424 1.00 0.00 N ATOM 255 HZ1 LYS A 44 58.932 -13.248 17.395 1.00 0.00 H ATOM 256 HZ2 LYS A 44 60.151 -14.424 17.523 1.00 0.00 H ATOM 257 HZ3 LYS A 44 60.368 -12.896 18.232 1.00 0.00 H ATOM 258 H LYS A 44 59.930 -13.176 11.230 1.00 0.00 H ATOM 259 N GLY A 45 62.596 -9.727 12.205 1.00 0.00 N ATOM 260 CA GLY A 45 63.993 -9.336 12.352 1.00 0.00 C ATOM 261 C GLY A 45 64.161 -8.275 13.426 1.00 0.00 C ATOM 262 O GLY A 45 63.380 -8.193 14.372 1.00 0.00 O ATOM 263 H GLY A 45 61.859 -8.995 12.151 1.00 0.00 H ATOM 264 N LEU A 46 65.193 -7.468 13.265 1.00 0.00 N ATOM 265 CA LEU A 46 65.484 -6.408 14.207 1.00 0.00 C ATOM 266 C LEU A 46 65.928 -5.172 13.449 1.00 0.00 C ATOM 267 O LEU A 46 66.884 -5.219 12.673 1.00 0.00 O ATOM 268 CB LEU A 46 66.589 -6.850 15.161 1.00 0.00 C ATOM 269 CG LEU A 46 66.603 -5.939 16.383 1.00 0.00 C ATOM 270 CD1 LEU A 46 65.863 -6.618 17.540 1.00 0.00 C ATOM 271 CD2 LEU A 46 68.049 -5.665 16.784 1.00 0.00 C ATOM 272 H LEU A 46 65.813 -7.597 12.440 1.00 0.00 H ATOM 273 N VAL A 47 65.243 -4.070 13.679 1.00 0.00 N ATOM 274 CA VAL A 47 65.591 -2.838 13.010 1.00 0.00 C ATOM 275 C VAL A 47 66.482 -2.012 13.903 1.00 0.00 C ATOM 276 O VAL A 47 66.024 -1.454 14.899 1.00 0.00 O ATOM 277 CB VAL A 47 64.328 -2.046 12.662 1.00 0.00 C ATOM 278 CG1 VAL A 47 64.698 -0.601 12.317 1.00 0.00 C ATOM 279 CG2 VAL A 47 63.645 -2.682 11.453 1.00 0.00 C ATOM 280 H VAL A 47 64.446 -4.087 14.347 1.00 0.00 H ATOM 281 N TYR A 48 67.756 -1.937 13.553 1.00 0.00 N ATOM 282 CA TYR A 48 68.676 -1.163 14.366 1.00 0.00 C ATOM 283 C TYR A 48 69.484 -0.199 13.498 1.00 0.00 C ATOM 284 O TYR A 48 69.682 -0.425 12.301 1.00 0.00 O ATOM 285 CB TYR A 48 69.603 -2.100 15.147 1.00 0.00 C ATOM 286 CG TYR A 48 70.485 -2.849 14.195 1.00 0.00 C ATOM 287 CD1 TYR A 48 71.693 -2.277 13.812 1.00 0.00 C ATOM 288 CD2 TYR A 48 70.105 -4.106 13.706 1.00 0.00 C ATOM 289 CE1 TYR A 48 72.537 -2.956 12.934 1.00 0.00 C ATOM 290 CE2 TYR A 48 70.946 -4.794 12.827 1.00 0.00 C ATOM 291 CZ TYR A 48 72.163 -4.221 12.442 1.00 0.00 C ATOM 292 OH TYR A 48 72.988 -4.893 11.565 1.00 0.00 O ATOM 293 HH TYR A 48 73.801 -4.353 11.399 1.00 0.00 H ATOM 294 H TYR A 48 68.095 -2.429 12.702 1.00 0.00 H ATOM 295 N ILE A 49 69.935 0.882 14.124 1.00 0.00 N ATOM 296 CA ILE A 49 70.710 1.909 13.448 1.00 0.00 C ATOM 297 C ILE A 49 72.093 1.999 14.056 1.00 0.00 C ATOM 298 O ILE A 49 72.231 1.935 15.267 1.00 0.00 O ATOM 299 CB ILE A 49 70.002 3.249 13.545 1.00 0.00 C ATOM 300 CG1 ILE A 49 68.699 3.190 12.750 1.00 0.00 C ATOM 301 CG2 ILE A 49 70.908 4.312 12.949 1.00 0.00 C ATOM 302 CD1 ILE A 49 67.902 4.474 12.971 1.00 0.00 C ATOM 303 H ILE A 49 69.726 0.998 15.136 1.00 0.00 H ATOM 304 N GLN A 50 73.114 2.118 13.206 1.00 0.00 N ATOM 305 CA GLN A 50 74.493 2.197 13.680 1.00 0.00 C ATOM 306 C GLN A 50 75.270 3.261 12.911 1.00 0.00 C ATOM 307 O GLN A 50 75.230 3.303 11.691 1.00 0.00 O ATOM 308 CB GLN A 50 75.186 0.846 13.492 1.00 0.00 C ATOM 309 CG GLN A 50 76.650 0.968 13.918 1.00 0.00 C ATOM 310 CD GLN A 50 77.571 0.760 12.723 1.00 0.00 C ATOM 311 OE1 GLN A 50 78.512 1.527 12.531 1.00 0.00 O ATOM 312 NE2 GLN A 50 77.366 -0.239 11.912 1.00 0.00 N ATOM 313 HE22 GLN A 50 76.569 -0.887 12.076 1.00 0.00 H ATOM 314 HE21 GLN A 50 77.999 -0.388 11.101 1.00 0.00 H ATOM 315 H GLN A 50 72.924 2.155 12.184 1.00 0.00 H ATOM 316 N GLN A 51 75.998 4.101 13.632 1.00 0.00 N ATOM 317 CA GLN A 51 76.793 5.139 13.001 1.00 0.00 C ATOM 318 C GLN A 51 78.249 4.718 12.935 1.00 0.00 C ATOM 319 O GLN A 51 78.852 4.349 13.943 1.00 0.00 O ATOM 320 CB GLN A 51 76.662 6.446 13.777 1.00 0.00 C ATOM 321 CG GLN A 51 77.544 7.517 13.131 1.00 0.00 C ATOM 322 CD GLN A 51 77.443 8.813 13.915 1.00 0.00 C ATOM 323 OE1 GLN A 51 77.785 8.861 15.098 1.00 0.00 O ATOM 324 NE2 GLN A 51 76.987 9.871 13.318 1.00 0.00 N ATOM 325 HE22 GLN A 51 76.701 9.822 12.319 1.00 0.00 H ATOM 326 HE21 GLN A 51 76.908 10.768 13.838 1.00 0.00 H ATOM 327 H GLN A 51 76.000 4.015 14.668 1.00 0.00 H ATOM 328 N THR A 52 78.806 4.781 11.739 1.00 0.00 N ATOM 329 CA THR A 52 80.193 4.407 11.542 1.00 0.00 C ATOM 330 C THR A 52 81.123 5.565 11.824 1.00 0.00 C ATOM 331 O THR A 52 80.686 6.698 12.028 1.00 0.00 O ATOM 332 CB THR A 52 80.408 3.861 10.133 1.00 0.00 C ATOM 333 OG1 THR A 52 79.788 4.716 9.179 1.00 0.00 O ATOM 334 CG2 THR A 52 79.813 2.454 10.074 1.00 0.00 C ATOM 335 HG1 THR A 52 78.817 4.766 9.365 1.00 0.00 H ATOM 336 H THR A 52 78.242 5.103 10.927 1.00 0.00 H ATOM 337 N ASP A 53 82.416 5.273 11.830 1.00 0.00 N ATOM 338 CA ASP A 53 83.412 6.301 12.081 1.00 0.00 C ATOM 339 C ASP A 53 83.362 7.339 10.968 1.00 0.00 C ATOM 340 O ASP A 53 83.967 8.405 11.076 1.00 0.00 O ATOM 341 CB ASP A 53 84.816 5.696 12.144 1.00 0.00 C ATOM 342 CG ASP A 53 84.991 4.876 13.419 1.00 0.00 C ATOM 343 OD1 ASP A 53 84.160 5.005 14.303 1.00 0.00 O ATOM 344 OD2 ASP A 53 85.957 4.134 13.494 1.00 0.00 O ATOM 345 H ASP A 53 82.722 4.295 11.653 1.00 0.00 H ATOM 346 N ASP A 54 82.631 7.026 9.896 1.00 0.00 N ATOM 347 CA ASP A 54 82.512 7.949 8.781 1.00 0.00 C ATOM 348 C ASP A 54 81.364 8.928 9.018 1.00 0.00 C ATOM 349 O ASP A 54 81.083 9.772 8.168 1.00 0.00 O ATOM 350 CB ASP A 54 82.274 7.176 7.486 1.00 0.00 C ATOM 351 CG ASP A 54 83.538 6.421 7.093 1.00 0.00 C ATOM 352 OD1 ASP A 54 84.582 6.721 7.649 1.00 0.00 O ATOM 353 OD2 ASP A 54 83.445 5.553 6.240 1.00 0.00 O ATOM 354 H ASP A 54 82.140 6.110 9.859 1.00 0.00 H ATOM 355 N SER A 55 80.701 8.801 10.173 1.00 0.00 N ATOM 356 CA SER A 55 79.585 9.676 10.512 1.00 0.00 C ATOM 357 C SER A 55 78.380 9.390 9.625 1.00 0.00 C ATOM 358 O SER A 55 77.473 10.212 9.505 1.00 0.00 O ATOM 359 CB SER A 55 79.996 11.137 10.353 1.00 0.00 C ATOM 360 OG SER A 55 79.131 11.961 11.123 1.00 0.00 O ATOM 361 HG SER A 55 78.200 11.844 10.809 1.00 0.00 H ATOM 362 H SER A 55 80.988 8.061 10.845 1.00 0.00 H ATOM 363 N LEU A 56 78.378 8.212 9.020 1.00 0.00 N ATOM 364 CA LEU A 56 77.298 7.795 8.158 1.00 0.00 C ATOM 365 C LEU A 56 76.406 6.842 8.923 1.00 0.00 C ATOM 366 O LEU A 56 76.867 5.835 9.458 1.00 0.00 O ATOM 367 CB LEU A 56 77.878 7.093 6.935 1.00 0.00 C ATOM 368 CG LEU A 56 78.880 8.015 6.242 1.00 0.00 C ATOM 369 CD1 LEU A 56 79.466 7.307 5.020 1.00 0.00 C ATOM 370 CD2 LEU A 56 78.177 9.298 5.799 1.00 0.00 C ATOM 371 H LEU A 56 79.180 7.567 9.171 1.00 0.00 H ATOM 372 N ILE A 57 75.136 7.174 8.982 1.00 0.00 N ATOM 373 CA ILE A 57 74.186 6.351 9.696 1.00 0.00 C ATOM 374 C ILE A 57 73.830 5.144 8.858 1.00 0.00 C ATOM 375 O ILE A 57 73.473 5.271 7.692 1.00 0.00 O ATOM 376 CB ILE A 57 72.936 7.169 9.997 1.00 0.00 C ATOM 377 CG1 ILE A 57 73.299 8.408 10.815 1.00 0.00 C ATOM 378 CG2 ILE A 57 71.914 6.342 10.762 1.00 0.00 C ATOM 379 CD1 ILE A 57 74.058 8.006 12.083 1.00 0.00 C ATOM 380 H ILE A 57 74.810 8.041 8.509 1.00 0.00 H ATOM 381 N HIS A 58 73.945 3.971 9.462 1.00 0.00 N ATOM 382 CA HIS A 58 73.652 2.732 8.765 1.00 0.00 C ATOM 383 C HIS A 58 72.303 2.161 9.194 1.00 0.00 C ATOM 384 O HIS A 58 72.088 1.881 10.371 1.00 0.00 O ATOM 385 CB HIS A 58 74.752 1.713 9.070 1.00 0.00 C ATOM 386 CG HIS A 58 76.044 2.153 8.428 1.00 0.00 C ATOM 387 ND1 HIS A 58 76.492 1.598 7.240 1.00 0.00 N ATOM 388 CD2 HIS A 58 76.992 3.090 8.781 1.00 0.00 C ATOM 389 CE1 HIS A 58 77.655 2.197 6.926 1.00 0.00 C ATOM 390 NE2 HIS A 58 77.999 3.115 7.828 1.00 0.00 N ATOM 391 H HIS A 58 74.251 3.937 10.455 1.00 0.00 H ATOM 392 N PHE A 59 71.419 1.964 8.225 1.00 0.00 N ATOM 393 CA PHE A 59 70.111 1.393 8.511 1.00 0.00 C ATOM 394 C PHE A 59 70.145 -0.078 8.141 1.00 0.00 C ATOM 395 O PHE A 59 70.188 -0.431 6.961 1.00 0.00 O ATOM 396 CB PHE A 59 69.017 2.104 7.712 1.00 0.00 C ATOM 397 CG PHE A 59 67.659 1.518 8.048 1.00 0.00 C ATOM 398 CD1 PHE A 59 66.875 2.091 9.065 1.00 0.00 C ATOM 399 CD2 PHE A 59 67.182 0.401 7.346 1.00 0.00 C ATOM 400 CE1 PHE A 59 65.620 1.546 9.374 1.00 0.00 C ATOM 401 CE2 PHE A 59 65.927 -0.143 7.659 1.00 0.00 C ATOM 402 CZ PHE A 59 65.148 0.430 8.672 1.00 0.00 C ATOM 403 H PHE A 59 71.664 2.221 7.247 1.00 0.00 H ATOM 404 N CYS A 60 70.166 -0.932 9.152 1.00 0.00 N ATOM 405 CA CYS A 60 70.242 -2.363 8.903 1.00 0.00 C ATOM 406 C CYS A 60 69.082 -3.129 9.530 1.00 0.00 C ATOM 407 O CYS A 60 68.582 -2.770 10.596 1.00 0.00 O ATOM 408 CB CYS A 60 71.556 -2.902 9.463 1.00 0.00 C ATOM 409 SG CYS A 60 72.962 -2.090 8.655 1.00 0.00 S ATOM 410 H CYS A 60 70.128 -0.578 10.129 1.00 0.00 H ATOM 411 N TRP A 61 68.693 -4.207 8.857 1.00 0.00 N ATOM 412 CA TRP A 61 67.620 -5.079 9.329 1.00 0.00 C ATOM 413 C TRP A 61 68.129 -6.512 9.393 1.00 0.00 C ATOM 414 O TRP A 61 68.416 -7.136 8.368 1.00 0.00 O ATOM 415 CB TRP A 61 66.401 -5.005 8.410 1.00 0.00 C ATOM 416 CG TRP A 61 65.353 -5.953 8.882 1.00 0.00 C ATOM 417 CD1 TRP A 61 64.407 -5.682 9.804 1.00 0.00 C ATOM 418 CD2 TRP A 61 65.131 -7.323 8.456 1.00 0.00 C ATOM 419 NE1 TRP A 61 63.607 -6.800 9.960 1.00 0.00 N ATOM 420 CE2 TRP A 61 64.017 -7.832 9.151 1.00 0.00 C ATOM 421 CE3 TRP A 61 65.782 -8.163 7.540 1.00 0.00 C ATOM 422 CZ2 TRP A 61 63.558 -9.123 8.949 1.00 0.00 C ATOM 423 CZ3 TRP A 61 65.321 -9.474 7.330 1.00 0.00 C ATOM 424 CH2 TRP A 61 64.206 -9.953 8.036 1.00 0.00 C ATOM 425 HE1 TRP A 61 62.796 -6.853 10.609 1.00 0.00 H ATOM 426 H TRP A 61 69.170 -4.438 7.962 1.00 0.00 H ATOM 427 N LYS A 62 68.252 -7.013 10.605 1.00 0.00 N ATOM 428 CA LYS A 62 68.745 -8.360 10.830 1.00 0.00 C ATOM 429 C LYS A 62 67.608 -9.318 11.114 1.00 0.00 C ATOM 430 O LYS A 62 66.790 -9.083 11.992 1.00 0.00 O ATOM 431 CB LYS A 62 69.725 -8.350 12.011 1.00 0.00 C ATOM 432 CG LYS A 62 69.728 -9.706 12.730 1.00 0.00 C ATOM 433 CD LYS A 62 70.817 -9.705 13.802 1.00 0.00 C ATOM 434 CE LYS A 62 70.418 -8.774 14.937 1.00 0.00 C ATOM 435 NZ LYS A 62 71.414 -8.899 16.039 1.00 0.00 N ATOM 436 HZ1 LYS A 62 71.431 -9.881 16.380 1.00 0.00 H ATOM 437 HZ2 LYS A 62 72.356 -8.638 15.684 1.00 0.00 H ATOM 438 HZ3 LYS A 62 71.148 -8.265 16.819 1.00 0.00 H ATOM 439 H LYS A 62 67.989 -6.428 11.423 1.00 0.00 H ATOM 440 N ASP A 63 67.577 -10.411 10.379 1.00 0.00 N ATOM 441 CA ASP A 63 66.539 -11.407 10.575 1.00 0.00 C ATOM 442 C ASP A 63 66.780 -12.150 11.882 1.00 0.00 C ATOM 443 O ASP A 63 67.904 -12.543 12.183 1.00 0.00 O ATOM 444 CB ASP A 63 66.521 -12.392 9.408 1.00 0.00 C ATOM 445 CG ASP A 63 65.293 -13.292 9.503 1.00 0.00 C ATOM 446 OD1 ASP A 63 64.531 -13.127 10.442 1.00 0.00 O ATOM 447 OD2 ASP A 63 65.131 -14.134 8.637 1.00 0.00 O ATOM 448 H ASP A 63 68.304 -10.562 9.651 1.00 0.00 H ATOM 449 N ARG A 64 65.720 -12.342 12.652 1.00 0.00 N ATOM 450 CA ARG A 64 65.835 -13.052 13.923 1.00 0.00 C ATOM 451 C ARG A 64 65.946 -14.554 13.700 1.00 0.00 C ATOM 452 O ARG A 64 66.363 -15.296 14.591 1.00 0.00 O ATOM 453 CB ARG A 64 64.643 -12.752 14.840 1.00 0.00 C ATOM 454 CG ARG A 64 64.754 -11.329 15.392 1.00 0.00 C ATOM 455 CD ARG A 64 63.615 -11.078 16.382 1.00 0.00 C ATOM 456 NE ARG A 64 63.744 -11.966 17.535 1.00 0.00 N ATOM 457 CZ ARG A 64 62.795 -12.050 18.468 1.00 0.00 C ATOM 458 NH1 ARG A 64 61.707 -11.331 18.385 1.00 0.00 N ATOM 459 NH2 ARG A 64 62.952 -12.860 19.479 1.00 0.00 N ATOM 460 HE ARG A 64 64.600 -12.549 17.631 1.00 0.00 H ATOM 461 HH12 ARG A 64 60.976 -11.408 19.121 1.00 0.00 H ATOM 462 HH11 ARG A 64 61.572 -10.682 17.583 1.00 0.00 H ATOM 463 HH22 ARG A 64 62.215 -12.929 20.209 1.00 0.00 H ATOM 464 HH21 ARG A 64 63.814 -13.436 19.554 1.00 0.00 H ATOM 465 H ARG A 64 64.793 -11.982 12.347 1.00 0.00 H ATOM 466 N THR A 65 65.572 -14.999 12.512 1.00 0.00 N ATOM 467 CA THR A 65 65.635 -16.403 12.184 1.00 0.00 C ATOM 468 C THR A 65 67.061 -16.937 12.277 1.00 0.00 C ATOM 469 O THR A 65 67.297 -18.006 12.841 1.00 0.00 O ATOM 470 CB THR A 65 65.111 -16.599 10.770 1.00 0.00 C ATOM 471 OG1 THR A 65 63.723 -16.299 10.727 1.00 0.00 O ATOM 472 CG2 THR A 65 65.360 -18.035 10.348 1.00 0.00 C ATOM 473 HG1 THR A 65 63.581 -15.359 11.003 1.00 0.00 H ATOM 474 H THR A 65 65.226 -14.324 11.800 1.00 0.00 H ATOM 475 N SER A 66 68.005 -16.191 11.723 1.00 0.00 N ATOM 476 CA SER A 66 69.403 -16.599 11.753 1.00 0.00 C ATOM 477 C SER A 66 70.232 -15.586 12.530 1.00 0.00 C ATOM 478 O SER A 66 71.375 -15.856 12.898 1.00 0.00 O ATOM 479 CB SER A 66 69.942 -16.724 10.329 1.00 0.00 C ATOM 480 OG SER A 66 69.250 -17.768 9.657 1.00 0.00 O ATOM 481 HG SER A 66 69.597 -17.851 8.734 1.00 0.00 H ATOM 482 H SER A 66 67.743 -15.298 11.258 1.00 0.00 H ATOM 483 N GLY A 67 69.647 -14.418 12.772 1.00 0.00 N ATOM 484 CA GLY A 67 70.339 -13.366 13.502 1.00 0.00 C ATOM 485 C GLY A 67 71.408 -12.705 12.633 1.00 0.00 C ATOM 486 O GLY A 67 72.347 -12.091 13.140 1.00 0.00 O ATOM 487 H GLY A 67 68.678 -14.252 12.434 1.00 0.00 H ATOM 488 N ASN A 68 71.265 -12.843 11.319 1.00 0.00 N ATOM 489 CA ASN A 68 72.216 -12.255 10.385 1.00 0.00 C ATOM 490 C ASN A 68 71.649 -10.985 9.767 1.00 0.00 C ATOM 491 O ASN A 68 70.444 -10.880 9.536 1.00 0.00 O ATOM 492 CB ASN A 68 72.555 -13.256 9.287 1.00 0.00 C ATOM 493 CG ASN A 68 73.549 -12.643 8.311 1.00 0.00 C ATOM 494 OD1 ASN A 68 74.673 -12.311 8.691 1.00 0.00 O ATOM 495 ND2 ASN A 68 73.198 -12.465 7.067 1.00 0.00 N ATOM 496 HD22 ASN A 68 72.249 -12.746 6.749 1.00 0.00 H ATOM 497 HD21 ASN A 68 73.868 -12.042 6.393 1.00 0.00 H ATOM 498 H ASN A 68 70.456 -13.383 10.949 1.00 0.00 H ATOM 499 N VAL A 69 72.521 -10.023 9.493 1.00 0.00 N ATOM 500 CA VAL A 69 72.082 -8.772 8.896 1.00 0.00 C ATOM 501 C VAL A 69 71.741 -8.995 7.428 1.00 0.00 C ATOM 502 O VAL A 69 72.627 -9.201 6.597 1.00 0.00 O ATOM 503 CB VAL A 69 73.182 -7.722 9.021 1.00 0.00 C ATOM 504 CG1 VAL A 69 72.711 -6.407 8.396 1.00 0.00 C ATOM 505 CG2 VAL A 69 73.502 -7.507 10.503 1.00 0.00 C ATOM 506 H VAL A 69 73.529 -10.165 9.707 1.00 0.00 H ATOM 507 N GLU A 70 70.448 -8.963 7.121 1.00 0.00 N ATOM 508 CA GLU A 70 69.993 -9.174 5.751 1.00 0.00 C ATOM 509 C GLU A 70 69.951 -7.861 4.986 1.00 0.00 C ATOM 510 O GLU A 70 70.040 -7.848 3.758 1.00 0.00 O ATOM 511 CB GLU A 70 68.598 -9.797 5.752 1.00 0.00 C ATOM 512 CG GLU A 70 68.635 -11.131 6.494 1.00 0.00 C ATOM 513 CD GLU A 70 69.460 -12.144 5.708 1.00 0.00 C ATOM 514 OE1 GLU A 70 69.645 -11.934 4.520 1.00 0.00 O ATOM 515 OE2 GLU A 70 69.895 -13.115 6.304 1.00 0.00 O ATOM 516 H GLU A 70 69.749 -8.785 7.870 1.00 0.00 H ATOM 517 N ASP A 71 69.812 -6.754 5.714 1.00 0.00 N ATOM 518 CA ASP A 71 69.757 -5.445 5.066 1.00 0.00 C ATOM 519 C ASP A 71 70.790 -4.497 5.670 1.00 0.00 C ATOM 520 O ASP A 71 71.023 -4.505 6.878 1.00 0.00 O ATOM 521 CB ASP A 71 68.372 -4.827 5.226 1.00 0.00 C ATOM 522 CG ASP A 71 67.312 -5.752 4.636 1.00 0.00 C ATOM 523 OD1 ASP A 71 67.586 -6.356 3.611 1.00 0.00 O ATOM 524 OD2 ASP A 71 66.241 -5.838 5.214 1.00 0.00 O ATOM 525 H ASP A 71 69.742 -6.822 6.749 1.00 0.00 H ATOM 526 N ASP A 72 71.408 -3.683 4.815 1.00 0.00 N ATOM 527 CA ASP A 72 72.420 -2.732 5.264 1.00 0.00 C ATOM 528 C ASP A 72 72.594 -1.592 4.264 1.00 0.00 C ATOM 529 O ASP A 72 73.192 -1.771 3.202 1.00 0.00 O ATOM 530 CB ASP A 72 73.754 -3.460 5.465 1.00 0.00 C ATOM 531 CG ASP A 72 74.892 -2.455 5.598 1.00 0.00 C ATOM 532 OD1 ASP A 72 74.999 -1.841 6.646 1.00 0.00 O ATOM 533 OD2 ASP A 72 75.643 -2.315 4.646 1.00 0.00 O ATOM 534 H ASP A 72 71.164 -3.726 3.805 1.00 0.00 H ATOM 535 N LEU A 73 72.070 -0.422 4.614 1.00 0.00 N ATOM 536 CA LEU A 73 72.171 0.742 3.741 1.00 0.00 C ATOM 537 C LEU A 73 72.287 2.022 4.546 1.00 0.00 C ATOM 538 O LEU A 73 71.559 2.235 5.509 1.00 0.00 O ATOM 539 CB LEU A 73 70.943 0.814 2.835 1.00 0.00 C ATOM 540 CG LEU A 73 69.699 0.415 3.634 1.00 0.00 C ATOM 541 CD1 LEU A 73 68.509 1.271 3.201 1.00 0.00 C ATOM 542 CD2 LEU A 73 69.378 -1.062 3.382 1.00 0.00 C ATOM 543 H LEU A 73 71.579 -0.335 5.527 1.00 0.00 H ATOM 544 N ILE A 74 73.208 2.875 4.131 1.00 0.00 N ATOM 545 CA ILE A 74 73.426 4.138 4.804 1.00 0.00 C ATOM 546 C ILE A 74 72.313 5.108 4.469 1.00 0.00 C ATOM 547 O ILE A 74 71.930 5.253 3.307 1.00 0.00 O ATOM 548 CB ILE A 74 74.769 4.723 4.376 1.00 0.00 C ATOM 549 CG1 ILE A 74 75.883 3.804 4.855 1.00 0.00 C ATOM 550 CG2 ILE A 74 74.971 6.094 5.014 1.00 0.00 C ATOM 551 CD1 ILE A 74 77.186 4.203 4.176 1.00 0.00 C ATOM 552 H ILE A 74 73.789 2.633 3.303 1.00 0.00 H ATOM 553 N ILE A 75 71.797 5.770 5.489 1.00 0.00 N ATOM 554 CA ILE A 75 70.728 6.727 5.278 1.00 0.00 C ATOM 555 C ILE A 75 71.219 8.138 5.561 1.00 0.00 C ATOM 556 O ILE A 75 71.624 8.459 6.678 1.00 0.00 O ATOM 557 CB ILE A 75 69.558 6.399 6.194 1.00 0.00 C ATOM 558 CG1 ILE A 75 69.177 4.924 6.035 1.00 0.00 C ATOM 559 CG2 ILE A 75 68.360 7.300 5.871 1.00 0.00 C ATOM 560 CD1 ILE A 75 68.934 4.572 4.566 1.00 0.00 C ATOM 561 H ILE A 75 72.160 5.604 6.449 1.00 0.00 H ATOM 562 N PHE A 76 71.171 8.971 4.534 1.00 0.00 N ATOM 563 CA PHE A 76 71.606 10.360 4.654 1.00 0.00 C ATOM 564 C PHE A 76 70.563 11.194 5.395 1.00 0.00 C ATOM 565 O PHE A 76 69.404 10.797 5.505 1.00 0.00 O ATOM 566 CB PHE A 76 71.862 10.960 3.266 1.00 0.00 C ATOM 567 CG PHE A 76 73.125 10.371 2.687 1.00 0.00 C ATOM 568 CD1 PHE A 76 73.077 9.160 1.989 1.00 0.00 C ATOM 569 CD2 PHE A 76 74.344 11.040 2.848 1.00 0.00 C ATOM 570 CE1 PHE A 76 74.249 8.616 1.451 1.00 0.00 C ATOM 571 CE2 PHE A 76 75.517 10.497 2.310 1.00 0.00 C ATOM 572 CZ PHE A 76 75.470 9.284 1.611 1.00 0.00 C ATOM 573 H PHE A 76 70.815 8.628 3.619 1.00 0.00 H ATOM 574 N PRO A 77 70.945 12.332 5.912 1.00 0.00 N ATOM 575 CA PRO A 77 70.002 13.219 6.653 1.00 0.00 C ATOM 576 C PRO A 77 68.793 13.591 5.805 1.00 0.00 C ATOM 577 O PRO A 77 68.931 14.049 4.670 1.00 0.00 O ATOM 578 CB PRO A 77 70.838 14.461 6.961 1.00 0.00 C ATOM 579 CG PRO A 77 72.247 13.985 6.938 1.00 0.00 C ATOM 580 CD PRO A 77 72.301 12.906 5.860 1.00 0.00 C ATOM 581 N ASP A 78 67.611 13.399 6.372 1.00 0.00 N ATOM 582 CA ASP A 78 66.369 13.722 5.668 1.00 0.00 C ATOM 583 C ASP A 78 66.206 12.859 4.414 1.00 0.00 C ATOM 584 O ASP A 78 65.333 13.120 3.585 1.00 0.00 O ATOM 585 CB ASP A 78 66.369 15.205 5.275 1.00 0.00 C ATOM 586 CG ASP A 78 64.948 15.679 4.984 1.00 0.00 C ATOM 587 OD1 ASP A 78 64.020 15.034 5.446 1.00 0.00 O ATOM 588 OD2 ASP A 78 64.807 16.681 4.301 1.00 0.00 O ATOM 589 H ASP A 78 67.565 13.011 7.336 1.00 0.00 H ATOM 590 N ASP A 79 67.039 11.829 4.282 1.00 0.00 N ATOM 591 CA ASP A 79 66.969 10.931 3.135 1.00 0.00 C ATOM 592 C ASP A 79 65.656 10.177 3.136 1.00 0.00 C ATOM 593 O ASP A 79 65.073 9.935 2.088 1.00 0.00 O ATOM 594 CB ASP A 79 68.137 9.953 3.155 1.00 0.00 C ATOM 595 CG ASP A 79 68.136 9.098 1.893 1.00 0.00 C ATOM 596 OD1 ASP A 79 68.366 9.649 0.829 1.00 0.00 O ATOM 597 OD2 ASP A 79 67.912 7.904 2.008 1.00 0.00 O ATOM 598 H ASP A 79 67.757 11.661 5.015 1.00 0.00 H ATOM 599 N CYS A 80 65.200 9.807 4.319 1.00 0.00 N ATOM 600 CA CYS A 80 63.949 9.081 4.438 1.00 0.00 C ATOM 601 C CYS A 80 63.237 9.471 5.725 1.00 0.00 C ATOM 602 O CYS A 80 63.836 10.044 6.637 1.00 0.00 O ATOM 603 CB CYS A 80 64.208 7.580 4.438 1.00 0.00 C ATOM 604 SG CYS A 80 65.046 7.169 5.973 1.00 0.00 S ATOM 605 H CYS A 80 65.744 10.039 5.175 1.00 0.00 H ATOM 606 N GLU A 81 61.954 9.162 5.774 1.00 0.00 N ATOM 607 CA GLU A 81 61.127 9.476 6.929 1.00 0.00 C ATOM 608 C GLU A 81 60.476 8.226 7.510 1.00 0.00 C ATOM 609 O GLU A 81 59.872 7.429 6.791 1.00 0.00 O ATOM 610 CB GLU A 81 60.053 10.504 6.531 1.00 0.00 C ATOM 611 CG GLU A 81 58.700 10.132 7.137 1.00 0.00 C ATOM 612 CD GLU A 81 57.693 11.265 6.934 1.00 0.00 C ATOM 613 OE1 GLU A 81 57.741 11.899 5.895 1.00 0.00 O ATOM 614 OE2 GLU A 81 56.881 11.475 7.824 1.00 0.00 O ATOM 615 H GLU A 81 61.521 8.679 4.961 1.00 0.00 H ATOM 616 N PHE A 82 60.595 8.078 8.825 1.00 0.00 N ATOM 617 CA PHE A 82 60.007 6.941 9.516 1.00 0.00 C ATOM 618 C PHE A 82 58.697 7.388 10.153 1.00 0.00 C ATOM 619 O PHE A 82 58.683 8.285 10.997 1.00 0.00 O ATOM 620 CB PHE A 82 60.977 6.410 10.583 1.00 0.00 C ATOM 621 CG PHE A 82 60.515 5.056 11.052 1.00 0.00 C ATOM 622 CD1 PHE A 82 60.558 3.981 10.164 1.00 0.00 C ATOM 623 CD2 PHE A 82 60.045 4.870 12.362 1.00 0.00 C ATOM 624 CE1 PHE A 82 60.129 2.720 10.569 1.00 0.00 C ATOM 625 CE2 PHE A 82 59.616 3.603 12.770 1.00 0.00 C ATOM 626 CZ PHE A 82 59.656 2.527 11.874 1.00 0.00 C ATOM 627 H PHE A 82 61.120 8.790 9.372 1.00 0.00 H ATOM 628 N LYS A 83 57.595 6.785 9.718 1.00 0.00 N ATOM 629 CA LYS A 83 56.279 7.165 10.232 1.00 0.00 C ATOM 630 C LYS A 83 55.372 5.950 10.381 1.00 0.00 C ATOM 631 O LYS A 83 55.687 4.871 9.895 1.00 0.00 O ATOM 632 CB LYS A 83 55.626 8.162 9.273 1.00 0.00 C ATOM 633 CG LYS A 83 55.339 7.490 7.932 1.00 0.00 C ATOM 634 CD LYS A 83 54.711 8.510 6.979 1.00 0.00 C ATOM 635 CE LYS A 83 54.425 7.837 5.638 1.00 0.00 C ATOM 636 NZ LYS A 83 53.812 8.823 4.703 1.00 0.00 N ATOM 637 HZ1 LYS A 83 52.922 9.177 5.109 1.00 0.00 H ATOM 638 HZ2 LYS A 83 54.469 9.617 4.559 1.00 0.00 H ATOM 639 HZ3 LYS A 83 53.619 8.361 3.792 1.00 0.00 H ATOM 640 H LYS A 83 57.669 6.033 9.003 1.00 0.00 H ATOM 641 N ARG A 84 54.244 6.127 11.062 1.00 0.00 N ATOM 642 CA ARG A 84 53.310 5.035 11.260 1.00 0.00 C ATOM 643 C ARG A 84 52.193 5.089 10.223 1.00 0.00 C ATOM 644 O ARG A 84 51.813 6.169 9.773 1.00 0.00 O ATOM 645 CB ARG A 84 52.711 5.107 12.657 1.00 0.00 C ATOM 646 CG ARG A 84 51.966 3.810 12.946 1.00 0.00 C ATOM 647 CD ARG A 84 51.353 3.886 14.335 1.00 0.00 C ATOM 648 NE ARG A 84 50.238 4.825 14.350 1.00 0.00 N ATOM 649 CZ ARG A 84 49.577 5.108 15.473 1.00 0.00 C ATOM 650 NH1 ARG A 84 49.908 4.543 16.607 1.00 0.00 N ATOM 651 NH2 ARG A 84 48.587 5.954 15.442 1.00 0.00 N ATOM 652 HE ARG A 84 49.951 5.286 13.463 1.00 0.00 H ATOM 653 HH12 ARG A 84 49.384 4.773 17.475 1.00 0.00 H ATOM 654 HH11 ARG A 84 50.695 3.864 16.639 1.00 0.00 H ATOM 655 HH22 ARG A 84 48.068 6.179 16.315 1.00 0.00 H ATOM 656 HH21 ARG A 84 48.316 6.405 14.545 1.00 0.00 H ATOM 657 H ARG A 84 54.028 7.064 11.459 1.00 0.00 H ATOM 658 N VAL A 85 51.670 3.927 9.844 1.00 0.00 N ATOM 659 CA VAL A 85 50.595 3.881 8.858 1.00 0.00 C ATOM 660 C VAL A 85 49.300 3.392 9.504 1.00 0.00 C ATOM 661 O VAL A 85 49.020 2.192 9.514 1.00 0.00 O ATOM 662 CB VAL A 85 50.972 2.925 7.731 1.00 0.00 C ATOM 663 CG1 VAL A 85 49.967 3.069 6.588 1.00 0.00 C ATOM 664 CG2 VAL A 85 52.374 3.272 7.234 1.00 0.00 C ATOM 665 H VAL A 85 52.031 3.042 10.254 1.00 0.00 H ATOM 666 N PRO A 86 48.504 4.289 10.036 1.00 0.00 N ATOM 667 CA PRO A 86 47.214 3.922 10.687 1.00 0.00 C ATOM 668 C PRO A 86 46.113 3.647 9.665 1.00 0.00 C ATOM 669 O PRO A 86 45.075 4.309 9.658 1.00 0.00 O ATOM 670 CB PRO A 86 46.890 5.155 11.538 1.00 0.00 C ATOM 671 CG PRO A 86 47.535 6.303 10.832 1.00 0.00 C ATOM 672 CD PRO A 86 48.744 5.740 10.081 1.00 0.00 C ATOM 673 N GLN A 87 46.349 2.656 8.810 1.00 0.00 N ATOM 674 CA GLN A 87 45.371 2.287 7.794 1.00 0.00 C ATOM 675 C GLN A 87 44.825 0.895 8.063 1.00 0.00 C ATOM 676 O GLN A 87 43.632 0.641 7.894 1.00 0.00 O ATOM 677 CB GLN A 87 46.007 2.330 6.407 1.00 0.00 C ATOM 678 CG GLN A 87 46.276 3.783 6.016 1.00 0.00 C ATOM 679 CD GLN A 87 46.933 3.831 4.643 1.00 0.00 C ATOM 680 OE1 GLN A 87 48.059 3.366 4.479 1.00 0.00 O ATOM 681 NE2 GLN A 87 46.287 4.358 3.637 1.00 0.00 N ATOM 682 HE22 GLN A 87 45.334 4.751 3.779 1.00 0.00 H ATOM 683 HE21 GLN A 87 46.725 4.385 2.694 1.00 0.00 H ATOM 684 H GLN A 87 47.247 2.135 8.867 1.00 0.00 H ATOM 685 N CYS A 88 45.702 -0.006 8.489 1.00 0.00 N ATOM 686 CA CYS A 88 45.280 -1.369 8.781 1.00 0.00 C ATOM 687 C CYS A 88 45.337 -1.631 10.288 1.00 0.00 C ATOM 688 O CYS A 88 46.409 -1.896 10.832 1.00 0.00 O ATOM 689 CB CYS A 88 46.185 -2.362 8.051 1.00 0.00 C ATOM 690 SG CYS A 88 45.629 -4.046 8.405 1.00 0.00 S ATOM 691 H CYS A 88 46.698 0.264 8.615 1.00 0.00 H ATOM 692 N PRO A 89 44.214 -1.569 10.981 1.00 0.00 N ATOM 693 CA PRO A 89 44.179 -1.814 12.456 1.00 0.00 C ATOM 694 C PRO A 89 44.389 -3.287 12.789 1.00 0.00 C ATOM 695 O PRO A 89 43.722 -4.155 12.222 1.00 0.00 O ATOM 696 CB PRO A 89 42.778 -1.359 12.872 1.00 0.00 C ATOM 697 CG PRO A 89 41.939 -1.491 11.646 1.00 0.00 C ATOM 698 CD PRO A 89 42.870 -1.261 10.455 1.00 0.00 C ATOM 699 N SER A 90 45.312 -3.552 13.717 1.00 0.00 N ATOM 700 CA SER A 90 45.619 -4.921 14.136 1.00 0.00 C ATOM 701 C SER A 90 46.894 -4.946 14.970 1.00 0.00 C ATOM 702 O SER A 90 47.021 -5.731 15.911 1.00 0.00 O ATOM 703 CB SER A 90 45.809 -5.825 12.917 1.00 0.00 C ATOM 704 OG SER A 90 46.891 -6.714 13.151 1.00 0.00 O ATOM 705 HG SER A 90 46.694 -7.269 13.947 1.00 0.00 H ATOM 706 H SER A 90 45.828 -2.763 14.155 1.00 0.00 H ATOM 707 N GLY A 91 47.845 -4.088 14.612 1.00 0.00 N ATOM 708 CA GLY A 91 49.115 -4.032 15.333 1.00 0.00 C ATOM 709 C GLY A 91 49.895 -2.771 14.985 1.00 0.00 C ATOM 710 O GLY A 91 49.369 -1.861 14.343 1.00 0.00 O ATOM 711 H GLY A 91 47.683 -3.448 13.808 1.00 0.00 H ATOM 712 N ARG A 92 51.152 -2.720 15.416 1.00 0.00 N ATOM 713 CA ARG A 92 51.993 -1.560 15.144 1.00 0.00 C ATOM 714 C ARG A 92 52.671 -1.703 13.784 1.00 0.00 C ATOM 715 O ARG A 92 53.522 -2.572 13.591 1.00 0.00 O ATOM 716 CB ARG A 92 53.062 -1.411 16.231 1.00 0.00 C ATOM 717 CG ARG A 92 52.436 -1.597 17.619 1.00 0.00 C ATOM 718 CD ARG A 92 52.860 -2.949 18.195 1.00 0.00 C ATOM 719 NE ARG A 92 52.193 -3.183 19.472 1.00 0.00 N ATOM 720 CZ ARG A 92 50.910 -3.542 19.542 1.00 0.00 C ATOM 721 NH1 ARG A 92 50.195 -3.700 18.456 1.00 0.00 N ATOM 722 NH2 ARG A 92 50.358 -3.735 20.706 1.00 0.00 N ATOM 723 HE ARG A 92 52.734 -3.067 20.353 1.00 0.00 H ATOM 724 HH12 ARG A 92 49.196 -3.980 18.527 1.00 0.00 H ATOM 725 HH11 ARG A 92 50.626 -3.545 17.522 1.00 0.00 H ATOM 726 HH22 ARG A 92 49.358 -4.015 20.767 1.00 0.00 H ATOM 727 HH21 ARG A 92 50.917 -3.609 21.574 1.00 0.00 H ATOM 728 H ARG A 92 51.541 -3.520 15.955 1.00 0.00 H ATOM 729 N VAL A 93 52.289 -0.842 12.845 1.00 0.00 N ATOM 730 CA VAL A 93 52.863 -0.880 11.503 1.00 0.00 C ATOM 731 C VAL A 93 53.471 0.469 11.132 1.00 0.00 C ATOM 732 O VAL A 93 52.805 1.500 11.197 1.00 0.00 O ATOM 733 CB VAL A 93 51.777 -1.244 10.490 1.00 0.00 C ATOM 734 CG1 VAL A 93 52.368 -1.241 9.077 1.00 0.00 C ATOM 735 CG2 VAL A 93 51.231 -2.636 10.812 1.00 0.00 C ATOM 736 H VAL A 93 51.568 -0.128 13.071 1.00 0.00 H ATOM 737 N TYR A 94 54.737 0.443 10.732 1.00 0.00 N ATOM 738 CA TYR A 94 55.439 1.660 10.340 1.00 0.00 C ATOM 739 C TYR A 94 55.922 1.562 8.898 1.00 0.00 C ATOM 740 O TYR A 94 56.064 0.471 8.357 1.00 0.00 O ATOM 741 CB TYR A 94 56.633 1.901 11.263 1.00 0.00 C ATOM 742 CG TYR A 94 56.146 2.150 12.671 1.00 0.00 C ATOM 743 CD1 TYR A 94 56.023 1.085 13.572 1.00 0.00 C ATOM 744 CD2 TYR A 94 55.822 3.450 13.074 1.00 0.00 C ATOM 745 CE1 TYR A 94 55.575 1.324 14.877 1.00 0.00 C ATOM 746 CE2 TYR A 94 55.372 3.687 14.378 1.00 0.00 C ATOM 747 CZ TYR A 94 55.250 2.624 15.279 1.00 0.00 C ATOM 748 OH TYR A 94 54.809 2.856 16.566 1.00 0.00 O ATOM 749 HH TYR A 94 54.782 2.001 17.064 1.00 0.00 H ATOM 750 H TYR A 94 55.240 -0.467 10.697 1.00 0.00 H ATOM 751 N VAL A 95 56.163 2.706 8.271 1.00 0.00 N ATOM 752 CA VAL A 95 56.622 2.717 6.891 1.00 0.00 C ATOM 753 C VAL A 95 57.794 3.680 6.734 1.00 0.00 C ATOM 754 O VAL A 95 57.772 4.793 7.263 1.00 0.00 O ATOM 755 CB VAL A 95 55.468 3.147 5.982 1.00 0.00 C ATOM 756 CG1 VAL A 95 55.078 4.596 6.301 1.00 0.00 C ATOM 757 CG2 VAL A 95 55.885 3.042 4.512 1.00 0.00 C ATOM 758 H VAL A 95 56.022 3.606 8.772 1.00 0.00 H ATOM 759 N LEU A 96 58.813 3.257 6.001 1.00 0.00 N ATOM 760 CA LEU A 96 59.971 4.099 5.776 1.00 0.00 C ATOM 761 C LEU A 96 59.894 4.645 4.362 1.00 0.00 C ATOM 762 O LEU A 96 59.875 3.880 3.408 1.00 0.00 O ATOM 763 CB LEU A 96 61.249 3.277 5.965 1.00 0.00 C ATOM 764 CG LEU A 96 62.478 4.142 5.694 1.00 0.00 C ATOM 765 CD1 LEU A 96 62.532 5.285 6.711 1.00 0.00 C ATOM 766 CD2 LEU A 96 63.739 3.278 5.812 1.00 0.00 C ATOM 767 H LEU A 96 58.782 2.306 5.581 1.00 0.00 H ATOM 768 N LYS A 97 59.833 5.961 4.223 1.00 0.00 N ATOM 769 CA LYS A 97 59.737 6.560 2.891 1.00 0.00 C ATOM 770 C LYS A 97 61.002 7.333 2.588 1.00 0.00 C ATOM 771 O LYS A 97 61.420 8.161 3.374 1.00 0.00 O ATOM 772 CB LYS A 97 58.529 7.502 2.822 1.00 0.00 C ATOM 773 CG LYS A 97 58.455 8.344 4.099 1.00 0.00 C ATOM 774 CD LYS A 97 57.291 9.327 3.996 1.00 0.00 C ATOM 775 CE LYS A 97 57.667 10.468 3.049 1.00 0.00 C ATOM 776 NZ LYS A 97 56.586 11.494 3.059 1.00 0.00 N ATOM 777 HZ1 LYS A 97 55.695 11.060 2.745 1.00 0.00 H ATOM 778 HZ2 LYS A 97 56.471 11.865 4.024 1.00 0.00 H ATOM 779 HZ3 LYS A 97 56.841 12.270 2.415 1.00 0.00 H ATOM 780 H LYS A 97 59.853 6.572 5.065 1.00 0.00 H ATOM 781 N PHE A 98 61.609 7.063 1.448 1.00 0.00 N ATOM 782 CA PHE A 98 62.832 7.755 1.087 1.00 0.00 C ATOM 783 C PHE A 98 62.501 9.049 0.369 1.00 0.00 C ATOM 784 O PHE A 98 62.052 9.042 -0.772 1.00 0.00 O ATOM 785 CB PHE A 98 63.680 6.856 0.188 1.00 0.00 C ATOM 786 CG PHE A 98 64.248 5.724 1.010 1.00 0.00 C ATOM 787 CD1 PHE A 98 63.430 4.647 1.368 1.00 0.00 C ATOM 788 CD2 PHE A 98 65.593 5.742 1.399 1.00 0.00 C ATOM 789 CE1 PHE A 98 63.951 3.589 2.116 1.00 0.00 C ATOM 790 CE2 PHE A 98 66.116 4.682 2.151 1.00 0.00 C ATOM 791 CZ PHE A 98 65.295 3.605 2.509 1.00 0.00 C ATOM 792 H PHE A 98 61.209 6.350 0.805 1.00 0.00 H ATOM 793 N LYS A 99 62.728 10.160 1.052 1.00 0.00 N ATOM 794 CA LYS A 99 62.453 11.465 0.480 1.00 0.00 C ATOM 795 C LYS A 99 63.318 11.692 -0.748 1.00 0.00 C ATOM 796 O LYS A 99 62.903 12.352 -1.700 1.00 0.00 O ATOM 797 CB LYS A 99 62.723 12.570 1.504 1.00 0.00 C ATOM 798 CG LYS A 99 61.695 12.474 2.630 1.00 0.00 C ATOM 799 CD LYS A 99 61.917 13.610 3.632 1.00 0.00 C ATOM 800 CE LYS A 99 60.894 13.500 4.763 1.00 0.00 C ATOM 801 NZ LYS A 99 61.100 14.615 5.732 1.00 0.00 N ATOM 802 HZ1 LYS A 99 62.061 14.557 6.126 1.00 0.00 H ATOM 803 HZ2 LYS A 99 60.979 15.525 5.243 1.00 0.00 H ATOM 804 HZ3 LYS A 99 60.403 14.538 6.500 1.00 0.00 H ATOM 805 H LYS A 99 63.111 10.096 2.017 1.00 0.00 H ATOM 806 N ALA A 100 64.533 11.158 -0.711 1.00 0.00 N ATOM 807 CA ALA A 100 65.456 11.326 -1.824 1.00 0.00 C ATOM 808 C ALA A 100 64.968 10.580 -3.065 1.00 0.00 C ATOM 809 O ALA A 100 65.341 10.919 -4.189 1.00 0.00 O ATOM 810 CB ALA A 100 66.846 10.817 -1.442 1.00 0.00 C ATOM 811 H ALA A 100 64.829 10.613 0.124 1.00 0.00 H ATOM 812 N GLY A 101 64.142 9.561 -2.854 1.00 0.00 N ATOM 813 CA GLY A 101 63.619 8.769 -3.963 1.00 0.00 C ATOM 814 C GLY A 101 62.113 8.587 -3.838 1.00 0.00 C ATOM 815 O GLY A 101 61.438 9.362 -3.162 1.00 0.00 O ATOM 816 H GLY A 101 63.863 9.323 -1.881 1.00 0.00 H ATOM 817 N SER A 102 61.590 7.558 -4.493 1.00 0.00 N ATOM 818 CA SER A 102 60.160 7.278 -4.442 1.00 0.00 C ATOM 819 C SER A 102 59.908 5.863 -3.919 1.00 0.00 C ATOM 820 O SER A 102 58.827 5.308 -4.109 1.00 0.00 O ATOM 821 CB SER A 102 59.548 7.426 -5.835 1.00 0.00 C ATOM 822 OG SER A 102 60.131 6.470 -6.708 1.00 0.00 O ATOM 823 HG SER A 102 59.955 5.559 -6.363 1.00 0.00 H ATOM 824 H SER A 102 62.212 6.940 -5.053 1.00 0.00 H ATOM 825 N LYS A 103 60.912 5.285 -3.263 1.00 0.00 N ATOM 826 CA LYS A 103 60.786 3.936 -2.727 1.00 0.00 C ATOM 827 C LYS A 103 60.495 3.984 -1.236 1.00 0.00 C ATOM 828 O LYS A 103 61.040 4.814 -0.512 1.00 0.00 O ATOM 829 CB LYS A 103 62.071 3.148 -2.981 1.00 0.00 C ATOM 830 CG LYS A 103 61.774 1.647 -2.946 1.00 0.00 C ATOM 831 CD LYS A 103 62.101 1.089 -1.559 1.00 0.00 C ATOM 832 CE LYS A 103 63.619 1.026 -1.376 1.00 0.00 C ATOM 833 NZ LYS A 103 63.941 0.184 -0.189 1.00 0.00 N ATOM 834 HZ1 LYS A 103 63.506 0.601 0.659 1.00 0.00 H ATOM 835 HZ2 LYS A 103 63.568 -0.776 -0.335 1.00 0.00 H ATOM 836 HZ3 LYS A 103 64.973 0.142 -0.065 1.00 0.00 H ATOM 837 H LYS A 103 61.802 5.806 -3.131 1.00 0.00 H ATOM 838 N ARG A 104 59.619 3.098 -0.791 1.00 0.00 N ATOM 839 CA ARG A 104 59.240 3.037 0.612 1.00 0.00 C ATOM 840 C ARG A 104 59.135 1.594 1.094 1.00 0.00 C ATOM 841 O ARG A 104 58.878 0.683 0.309 1.00 0.00 O ATOM 842 CB ARG A 104 57.916 3.762 0.808 1.00 0.00 C ATOM 843 CG ARG A 104 56.858 3.150 -0.103 1.00 0.00 C ATOM 844 CD ARG A 104 55.660 4.083 -0.141 1.00 0.00 C ATOM 845 NE ARG A 104 54.711 3.631 -1.154 1.00 0.00 N ATOM 846 CZ ARG A 104 53.726 4.412 -1.598 1.00 0.00 C ATOM 847 NH1 ARG A 104 53.571 5.628 -1.139 1.00 0.00 N ATOM 848 NH2 ARG A 104 52.911 3.961 -2.512 1.00 0.00 N ATOM 849 HE ARG A 104 54.806 2.670 -1.541 1.00 0.00 H ATOM 850 HH12 ARG A 104 52.797 6.224 -1.496 1.00 0.00 H ATOM 851 HH11 ARG A 104 54.222 5.998 -0.417 1.00 0.00 H ATOM 852 HH22 ARG A 104 52.140 4.563 -2.864 1.00 0.00 H ATOM 853 HH21 ARG A 104 53.033 2.999 -2.888 1.00 0.00 H ATOM 854 H ARG A 104 59.191 2.428 -1.461 1.00 0.00 H ATOM 855 N LEU A 105 59.347 1.396 2.393 1.00 0.00 N ATOM 856 CA LEU A 105 59.290 0.065 2.985 1.00 0.00 C ATOM 857 C LEU A 105 58.302 0.038 4.141 1.00 0.00 C ATOM 858 O LEU A 105 57.969 1.072 4.697 1.00 0.00 O ATOM 859 CB LEU A 105 60.670 -0.325 3.517 1.00 0.00 C ATOM 860 CG LEU A 105 61.716 -0.109 2.427 1.00 0.00 C ATOM 861 CD1 LEU A 105 63.097 -0.509 2.953 1.00 0.00 C ATOM 862 CD2 LEU A 105 61.370 -0.961 1.205 1.00 0.00 C ATOM 863 H LEU A 105 59.559 2.212 3.002 1.00 0.00 H ATOM 864 N PHE A 106 57.838 -1.151 4.493 1.00 0.00 N ATOM 865 CA PHE A 106 56.892 -1.295 5.592 1.00 0.00 C ATOM 866 C PHE A 106 57.430 -2.290 6.627 1.00 0.00 C ATOM 867 O PHE A 106 58.042 -3.297 6.271 1.00 0.00 O ATOM 868 CB PHE A 106 55.559 -1.789 5.041 1.00 0.00 C ATOM 869 CG PHE A 106 54.995 -0.773 4.098 1.00 0.00 C ATOM 870 CD1 PHE A 106 55.484 -0.711 2.794 1.00 0.00 C ATOM 871 CD2 PHE A 106 53.974 0.085 4.510 1.00 0.00 C ATOM 872 CE1 PHE A 106 54.962 0.212 1.895 1.00 0.00 C ATOM 873 CE2 PHE A 106 53.444 1.014 3.612 1.00 0.00 C ATOM 874 CZ PHE A 106 53.938 1.080 2.301 1.00 0.00 C ATOM 875 H PHE A 106 58.154 -1.996 3.976 1.00 0.00 H ATOM 876 N PHE A 107 57.208 -1.990 7.908 1.00 0.00 N ATOM 877 CA PHE A 107 57.669 -2.843 8.994 1.00 0.00 C ATOM 878 C PHE A 107 56.622 -2.944 10.086 1.00 0.00 C ATOM 879 O PHE A 107 55.758 -2.081 10.217 1.00 0.00 O ATOM 880 CB PHE A 107 58.947 -2.273 9.599 1.00 0.00 C ATOM 881 CG PHE A 107 60.056 -2.388 8.600 1.00 0.00 C ATOM 882 CD1 PHE A 107 60.215 -1.415 7.610 1.00 0.00 C ATOM 883 CD2 PHE A 107 60.934 -3.468 8.673 1.00 0.00 C ATOM 884 CE1 PHE A 107 61.259 -1.524 6.689 1.00 0.00 C ATOM 885 CE2 PHE A 107 61.974 -3.582 7.756 1.00 0.00 C ATOM 886 CZ PHE A 107 62.143 -2.608 6.761 1.00 0.00 C ATOM 887 H PHE A 107 56.689 -1.119 8.138 1.00 0.00 H ATOM 888 N TRP A 108 56.724 -3.989 10.884 1.00 0.00 N ATOM 889 CA TRP A 108 55.797 -4.174 11.991 1.00 0.00 C ATOM 890 C TRP A 108 56.577 -4.496 13.256 1.00 0.00 C ATOM 891 O TRP A 108 57.521 -5.289 13.230 1.00 0.00 O ATOM 892 CB TRP A 108 54.788 -5.281 11.657 1.00 0.00 C ATOM 893 CG TRP A 108 55.505 -6.566 11.387 1.00 0.00 C ATOM 894 CD1 TRP A 108 56.162 -6.860 10.240 1.00 0.00 C ATOM 895 CD2 TRP A 108 55.617 -7.746 12.235 1.00 0.00 C ATOM 896 NE1 TRP A 108 56.684 -8.135 10.338 1.00 0.00 N ATOM 897 CE2 TRP A 108 56.379 -8.720 11.548 1.00 0.00 C ATOM 898 CE3 TRP A 108 55.145 -8.061 13.523 1.00 0.00 C ATOM 899 CZ2 TRP A 108 56.663 -9.960 12.114 1.00 0.00 C ATOM 900 CZ3 TRP A 108 55.429 -9.313 14.096 1.00 0.00 C ATOM 901 CH2 TRP A 108 56.190 -10.259 13.393 1.00 0.00 C ATOM 902 HE1 TRP A 108 57.239 -8.597 9.590 1.00 0.00 H ATOM 903 H TRP A 108 57.475 -4.689 10.721 1.00 0.00 H ATOM 904 N MET A 109 56.198 -3.858 14.359 1.00 0.00 N ATOM 905 CA MET A 109 56.894 -4.067 15.621 1.00 0.00 C ATOM 906 C MET A 109 56.528 -5.412 16.226 1.00 0.00 C ATOM 907 O MET A 109 55.380 -5.851 16.156 1.00 0.00 O ATOM 908 CB MET A 109 56.523 -2.962 16.618 1.00 0.00 C ATOM 909 CG MET A 109 56.710 -1.587 15.968 1.00 0.00 C ATOM 910 SD MET A 109 58.448 -1.328 15.531 1.00 0.00 S ATOM 911 CE MET A 109 59.018 -0.792 17.163 1.00 0.00 C ATOM 912 H MET A 109 55.393 -3.200 14.320 1.00 0.00 H ATOM 913 N GLN A 110 57.517 -6.049 16.833 1.00 0.00 N ATOM 914 CA GLN A 110 57.315 -7.336 17.482 1.00 0.00 C ATOM 915 C GLN A 110 57.313 -7.167 18.994 1.00 0.00 C ATOM 916 O GLN A 110 57.176 -8.142 19.729 1.00 0.00 O ATOM 917 CB GLN A 110 58.430 -8.297 17.087 1.00 0.00 C ATOM 918 CG GLN A 110 58.369 -8.558 15.583 1.00 0.00 C ATOM 919 CD GLN A 110 59.747 -8.934 15.043 1.00 0.00 C ATOM 920 OE1 GLN A 110 60.002 -8.775 13.852 1.00 0.00 O ATOM 921 NE2 GLN A 110 60.655 -9.438 15.838 1.00 0.00 N ATOM 922 HE22 GLN A 110 60.444 -9.575 16.847 1.00 0.00 H ATOM 923 HE21 GLN A 110 61.588 -9.702 15.461 1.00 0.00 H ATOM 924 H GLN A 110 58.464 -5.618 16.847 1.00 0.00 H ATOM 925 N GLU A 111 57.478 -5.937 19.469 1.00 0.00 N ATOM 926 CA GLU A 111 57.500 -5.716 20.902 1.00 0.00 C ATOM 927 C GLU A 111 56.089 -5.859 21.489 1.00 0.00 C ATOM 928 O GLU A 111 55.151 -5.236 20.992 1.00 0.00 O ATOM 929 CB GLU A 111 58.050 -4.329 21.217 1.00 0.00 C ATOM 930 CG GLU A 111 59.507 -4.258 20.768 1.00 0.00 C ATOM 931 CD GLU A 111 60.119 -2.928 21.188 1.00 0.00 C ATOM 932 OE1 GLU A 111 59.421 -2.149 21.815 1.00 0.00 O ATOM 933 OE2 GLU A 111 61.279 -2.711 20.881 1.00 0.00 O ATOM 934 H GLU A 111 57.591 -5.136 18.816 1.00 0.00 H ATOM 935 N PRO A 112 55.907 -6.655 22.526 1.00 0.00 N ATOM 936 CA PRO A 112 54.561 -6.844 23.156 1.00 0.00 C ATOM 937 C PRO A 112 53.919 -5.520 23.561 1.00 0.00 C ATOM 938 O PRO A 112 52.707 -5.342 23.437 1.00 0.00 O ATOM 939 CB PRO A 112 54.852 -7.685 24.402 1.00 0.00 C ATOM 940 CG PRO A 112 56.130 -8.389 24.112 1.00 0.00 C ATOM 941 CD PRO A 112 56.936 -7.466 23.206 1.00 0.00 C ATOM 942 N LYS A 113 54.741 -4.601 24.053 1.00 0.00 N ATOM 943 CA LYS A 113 54.245 -3.296 24.483 1.00 0.00 C ATOM 944 C LYS A 113 54.779 -2.194 23.584 1.00 0.00 C ATOM 945 O LYS A 113 55.914 -2.256 23.114 1.00 0.00 O ATOM 946 CB LYS A 113 54.665 -3.021 25.924 1.00 0.00 C ATOM 947 CG LYS A 113 54.111 -4.123 26.821 1.00 0.00 C ATOM 948 CD LYS A 113 53.949 -3.582 28.237 1.00 0.00 C ATOM 949 CE LYS A 113 55.323 -3.302 28.851 1.00 0.00 C ATOM 950 NZ LYS A 113 56.085 -4.576 28.975 1.00 0.00 N ATOM 951 HZ1 LYS A 113 55.561 -5.234 29.586 1.00 0.00 H ATOM 952 HZ2 LYS A 113 56.207 -4.999 28.033 1.00 0.00 H ATOM 953 HZ3 LYS A 113 57.018 -4.382 29.392 1.00 0.00 H ATOM 954 H LYS A 113 55.756 -4.814 24.134 1.00 0.00 H ATOM 955 N THR A 114 53.953 -1.181 23.353 1.00 0.00 N ATOM 956 CA THR A 114 54.354 -0.062 22.509 1.00 0.00 C ATOM 957 C THR A 114 54.965 1.058 23.341 1.00 0.00 C ATOM 958 O THR A 114 55.292 2.127 22.813 1.00 0.00 O ATOM 959 CB THR A 114 53.158 0.492 21.753 1.00 0.00 C ATOM 960 OG1 THR A 114 52.187 0.961 22.679 1.00 0.00 O ATOM 961 CG2 THR A 114 52.549 -0.600 20.876 1.00 0.00 C ATOM 962 HG1 THR A 114 51.409 1.322 22.185 1.00 0.00 H ATOM 963 H THR A 114 53.005 -1.186 23.781 1.00 0.00 H ATOM 964 N ASP A 115 55.118 0.811 24.638 1.00 0.00 N ATOM 965 CA ASP A 115 55.688 1.804 25.532 1.00 0.00 C ATOM 966 C ASP A 115 57.094 2.176 25.075 1.00 0.00 C ATOM 967 O ASP A 115 57.613 3.233 25.432 1.00 0.00 O ATOM 968 CB ASP A 115 55.743 1.241 26.951 1.00 0.00 C ATOM 969 CG ASP A 115 54.339 1.176 27.543 1.00 0.00 C ATOM 970 OD1 ASP A 115 53.444 1.770 26.964 1.00 0.00 O ATOM 971 OD2 ASP A 115 54.179 0.533 28.567 1.00 0.00 O ATOM 972 H ASP A 115 54.824 -0.111 25.020 1.00 0.00 H ATOM 973 N GLN A 116 57.701 1.304 24.279 1.00 0.00 N ATOM 974 CA GLN A 116 59.043 1.558 23.773 1.00 0.00 C ATOM 975 C GLN A 116 59.026 1.711 22.257 1.00 0.00 C ATOM 976 O GLN A 116 59.959 2.257 21.669 1.00 0.00 O ATOM 977 CB GLN A 116 59.974 0.409 24.154 1.00 0.00 C ATOM 978 CG GLN A 116 60.023 0.266 25.677 1.00 0.00 C ATOM 979 CD GLN A 116 60.550 1.552 26.306 1.00 0.00 C ATOM 980 OE1 GLN A 116 61.652 1.995 25.980 1.00 0.00 O ATOM 981 NE2 GLN A 116 59.830 2.178 27.195 1.00 0.00 N ATOM 982 HE22 GLN A 116 58.900 1.802 27.469 1.00 0.00 H ATOM 983 HE21 GLN A 116 60.186 3.053 27.630 1.00 0.00 H ATOM 984 H GLN A 116 57.211 0.426 24.013 1.00 0.00 H ATOM 985 N ASP A 117 57.963 1.222 21.627 1.00 0.00 N ATOM 986 CA ASP A 117 57.843 1.308 20.181 1.00 0.00 C ATOM 987 C ASP A 117 57.812 2.761 19.739 1.00 0.00 C ATOM 988 O ASP A 117 58.415 3.129 18.732 1.00 0.00 O ATOM 989 CB ASP A 117 56.563 0.608 19.723 1.00 0.00 C ATOM 990 CG ASP A 117 56.708 -0.900 19.878 1.00 0.00 C ATOM 991 OD1 ASP A 117 57.826 -1.351 20.059 1.00 0.00 O ATOM 992 OD2 ASP A 117 55.699 -1.583 19.816 1.00 0.00 O ATOM 993 H ASP A 117 57.205 0.771 22.177 1.00 0.00 H ATOM 994 N GLU A 118 57.104 3.588 20.495 1.00 0.00 N ATOM 995 CA GLU A 118 57.007 5.000 20.156 1.00 0.00 C ATOM 996 C GLU A 118 58.368 5.678 20.230 1.00 0.00 C ATOM 997 O GLU A 118 58.719 6.493 19.378 1.00 0.00 O ATOM 998 CB GLU A 118 56.059 5.693 21.121 1.00 0.00 C ATOM 999 CG GLU A 118 54.628 5.236 20.843 1.00 0.00 C ATOM 1000 CD GLU A 118 53.679 5.785 21.906 1.00 0.00 C ATOM 1001 OE1 GLU A 118 54.166 6.264 22.917 1.00 0.00 O ATOM 1002 OE2 GLU A 118 52.480 5.719 21.692 1.00 0.00 O ATOM 1003 H GLU A 118 56.614 3.225 21.337 1.00 0.00 H ATOM 1004 N GLU A 119 59.124 5.334 21.257 1.00 0.00 N ATOM 1005 CA GLU A 119 60.446 5.909 21.446 1.00 0.00 C ATOM 1006 C GLU A 119 61.385 5.456 20.341 1.00 0.00 C ATOM 1007 O GLU A 119 62.185 6.235 19.835 1.00 0.00 O ATOM 1008 CB GLU A 119 61.011 5.482 22.797 1.00 0.00 C ATOM 1009 CG GLU A 119 60.254 6.170 23.940 1.00 0.00 C ATOM 1010 CD GLU A 119 60.401 7.686 23.844 1.00 0.00 C ATOM 1011 OE1 GLU A 119 61.522 8.144 23.704 1.00 0.00 O ATOM 1012 OE2 GLU A 119 59.391 8.367 23.920 1.00 0.00 O ATOM 1013 H GLU A 119 58.767 4.639 21.943 1.00 0.00 H ATOM 1014 N HIS A 120 61.277 4.187 19.970 1.00 0.00 N ATOM 1015 CA HIS A 120 62.117 3.634 18.926 1.00 0.00 C ATOM 1016 C HIS A 120 61.806 4.328 17.621 1.00 0.00 C ATOM 1017 O HIS A 120 62.695 4.642 16.831 1.00 0.00 O ATOM 1018 CB HIS A 120 61.831 2.142 18.787 1.00 0.00 C ATOM 1019 CG HIS A 120 62.208 1.483 20.071 1.00 0.00 C ATOM 1020 ND1 HIS A 120 61.885 0.169 20.381 1.00 0.00 N ATOM 1021 CD2 HIS A 120 62.875 1.976 21.148 1.00 0.00 C ATOM 1022 CE1 HIS A 120 62.361 -0.078 21.617 1.00 0.00 C ATOM 1023 NE2 HIS A 120 62.976 0.995 22.131 1.00 0.00 N ATOM 1024 H HIS A 120 60.576 3.577 20.437 1.00 0.00 H ATOM 1025 N CYS A 121 60.524 4.573 17.418 1.00 0.00 N ATOM 1026 CA CYS A 121 60.064 5.242 16.221 1.00 0.00 C ATOM 1027 C CYS A 121 60.657 6.637 16.158 1.00 0.00 C ATOM 1028 O CYS A 121 61.124 7.081 15.110 1.00 0.00 O ATOM 1029 CB CYS A 121 58.534 5.332 16.212 1.00 0.00 C ATOM 1030 SG CYS A 121 57.990 6.158 14.694 1.00 0.00 S ATOM 1031 H CYS A 121 59.830 4.278 18.135 1.00 0.00 H ATOM 1032 N ARG A 122 60.628 7.329 17.294 1.00 0.00 N ATOM 1033 CA ARG A 122 61.164 8.686 17.353 1.00 0.00 C ATOM 1034 C ARG A 122 62.673 8.675 17.151 1.00 0.00 C ATOM 1035 O ARG A 122 63.224 9.511 16.440 1.00 0.00 O ATOM 1036 CB ARG A 122 60.818 9.338 18.690 1.00 0.00 C ATOM 1037 CG ARG A 122 61.365 10.767 18.721 1.00 0.00 C ATOM 1038 CD ARG A 122 60.987 11.416 20.053 1.00 0.00 C ATOM 1039 NE ARG A 122 61.524 12.770 20.139 1.00 0.00 N ATOM 1040 CZ ARG A 122 61.339 13.529 21.221 1.00 0.00 C ATOM 1041 NH1 ARG A 122 60.662 13.083 22.249 1.00 0.00 N ATOM 1042 NH2 ARG A 122 61.840 14.733 21.256 1.00 0.00 N ATOM 1043 HE ARG A 122 62.064 13.153 19.337 1.00 0.00 H ATOM 1044 HH12 ARG A 122 60.527 13.687 23.085 1.00 0.00 H ATOM 1045 HH11 ARG A 122 60.259 12.124 22.230 1.00 0.00 H ATOM 1046 HH22 ARG A 122 61.700 15.330 22.096 1.00 0.00 H ATOM 1047 HH21 ARG A 122 62.379 15.096 20.444 1.00 0.00 H ATOM 1048 H ARG A 122 60.220 6.899 18.148 1.00 0.00 H ATOM 1049 N LYS A 123 63.333 7.714 17.781 1.00 0.00 N ATOM 1050 CA LYS A 123 64.775 7.591 17.665 1.00 0.00 C ATOM 1051 C LYS A 123 65.167 7.335 16.218 1.00 0.00 C ATOM 1052 O LYS A 123 66.127 7.914 15.717 1.00 0.00 O ATOM 1053 CB LYS A 123 65.268 6.448 18.549 1.00 0.00 C ATOM 1054 CG LYS A 123 65.909 7.016 19.813 1.00 0.00 C ATOM 1055 CD LYS A 123 64.858 7.765 20.631 1.00 0.00 C ATOM 1056 CE LYS A 123 65.482 8.226 21.944 1.00 0.00 C ATOM 1057 NZ LYS A 123 64.470 8.968 22.747 1.00 0.00 N ATOM 1058 HZ1 LYS A 123 64.143 9.797 22.210 1.00 0.00 H ATOM 1059 HZ2 LYS A 123 63.663 8.343 22.948 1.00 0.00 H ATOM 1060 HZ3 LYS A 123 64.900 9.280 23.641 1.00 0.00 H ATOM 1061 H LYS A 123 62.808 7.035 18.369 1.00 0.00 H ATOM 1062 N VAL A 124 64.417 6.480 15.540 1.00 0.00 N ATOM 1063 CA VAL A 124 64.719 6.188 14.152 1.00 0.00 C ATOM 1064 C VAL A 124 64.686 7.471 13.332 1.00 0.00 C ATOM 1065 O VAL A 124 65.568 7.723 12.521 1.00 0.00 O ATOM 1066 CB VAL A 124 63.684 5.210 13.610 1.00 0.00 C ATOM 1067 CG1 VAL A 124 63.845 5.074 12.095 1.00 0.00 C ATOM 1068 CG2 VAL A 124 63.873 3.840 14.272 1.00 0.00 C ATOM 1069 H VAL A 124 63.610 6.017 16.004 1.00 0.00 H ATOM 1070 N ASN A 125 63.673 8.291 13.553 1.00 0.00 N ATOM 1071 CA ASN A 125 63.564 9.543 12.822 1.00 0.00 C ATOM 1072 C ASN A 125 64.668 10.490 13.238 1.00 0.00 C ATOM 1073 O ASN A 125 65.096 11.337 12.463 1.00 0.00 O ATOM 1074 CB ASN A 125 62.207 10.199 13.073 1.00 0.00 C ATOM 1075 CG ASN A 125 61.113 9.395 12.389 1.00 0.00 C ATOM 1076 OD1 ASN A 125 61.007 9.402 11.162 1.00 0.00 O ATOM 1077 ND2 ASN A 125 60.287 8.693 13.112 1.00 0.00 N ATOM 1078 HD22 ASN A 125 60.378 8.688 14.148 1.00 0.00 H ATOM 1079 HD21 ASN A 125 59.537 8.138 12.653 1.00 0.00 H ATOM 1080 H ASN A 125 62.948 8.039 14.255 1.00 0.00 H ATOM 1081 N GLU A 126 65.128 10.348 14.465 1.00 0.00 N ATOM 1082 CA GLU A 126 66.176 11.215 14.953 1.00 0.00 C ATOM 1083 C GLU A 126 67.532 10.804 14.400 1.00 0.00 C ATOM 1084 O GLU A 126 68.397 11.634 14.177 1.00 0.00 O ATOM 1085 CB GLU A 126 66.182 11.204 16.481 1.00 0.00 C ATOM 1086 CG GLU A 126 67.614 11.265 16.996 1.00 0.00 C ATOM 1087 CD GLU A 126 67.622 11.494 18.506 1.00 0.00 C ATOM 1088 OE1 GLU A 126 66.692 11.047 19.157 1.00 0.00 O ATOM 1089 OE2 GLU A 126 68.562 12.105 18.988 1.00 0.00 O ATOM 1090 H GLU A 126 64.736 9.610 15.084 1.00 0.00 H ATOM 1091 N TYR A 127 67.729 9.522 14.192 1.00 0.00 N ATOM 1092 CA TYR A 127 69.001 9.058 13.677 1.00 0.00 C ATOM 1093 C TYR A 127 69.065 9.178 12.166 1.00 0.00 C ATOM 1094 O TYR A 127 70.149 9.269 11.586 1.00 0.00 O ATOM 1095 CB TYR A 127 69.209 7.617 14.106 1.00 0.00 C ATOM 1096 CG TYR A 127 69.207 7.551 15.611 1.00 0.00 C ATOM 1097 CD1 TYR A 127 68.504 6.535 16.253 1.00 0.00 C ATOM 1098 CD2 TYR A 127 69.921 8.495 16.366 1.00 0.00 C ATOM 1099 CE1 TYR A 127 68.512 6.452 17.644 1.00 0.00 C ATOM 1100 CE2 TYR A 127 69.924 8.417 17.761 1.00 0.00 C ATOM 1101 CZ TYR A 127 69.221 7.393 18.403 1.00 0.00 C ATOM 1102 OH TYR A 127 69.229 7.306 19.780 1.00 0.00 O ATOM 1103 HH TYR A 127 68.685 6.529 20.064 1.00 0.00 H ATOM 1104 H TYR A 127 66.971 8.840 14.397 1.00 0.00 H ATOM 1105 N LEU A 128 67.910 9.164 11.528 1.00 0.00 N ATOM 1106 CA LEU A 128 67.867 9.263 10.081 1.00 0.00 C ATOM 1107 C LEU A 128 67.667 10.711 9.627 1.00 0.00 C ATOM 1108 O LEU A 128 67.878 11.037 8.455 1.00 0.00 O ATOM 1109 CB LEU A 128 66.722 8.404 9.565 1.00 0.00 C ATOM 1110 CG LEU A 128 66.937 6.954 10.009 1.00 0.00 C ATOM 1111 CD1 LEU A 128 65.711 6.118 9.640 1.00 0.00 C ATOM 1112 CD2 LEU A 128 68.161 6.363 9.310 1.00 0.00 C ATOM 1113 H LEU A 128 67.024 9.081 12.066 1.00 0.00 H ATOM 1114 N ASN A 129 67.261 11.586 10.548 1.00 0.00 N ATOM 1115 CA ASN A 129 67.054 12.984 10.192 1.00 0.00 C ATOM 1116 C ASN A 129 67.909 13.883 11.062 1.00 0.00 C ATOM 1117 O ASN A 129 68.126 15.051 10.738 1.00 0.00 O ATOM 1118 CB ASN A 129 65.579 13.356 10.362 1.00 0.00 C ATOM 1119 CG ASN A 129 64.705 12.362 9.605 1.00 0.00 C ATOM 1120 OD1 ASN A 129 64.914 12.130 8.414 1.00 0.00 O ATOM 1121 ND2 ASN A 129 63.739 11.750 10.232 1.00 0.00 N ATOM 1122 HD22 ASN A 129 63.565 11.948 11.238 1.00 0.00 H ATOM 1123 HD21 ASN A 129 63.143 11.064 9.726 1.00 0.00 H ATOM 1124 H ASN A 129 67.091 11.269 11.524 1.00 0.00 H ATOM 1125 N ASN A 130 68.395 13.340 12.169 1.00 0.00 N ATOM 1126 CA ASN A 130 69.219 14.124 13.075 1.00 0.00 C ATOM 1127 C ASN A 130 70.411 13.313 13.556 1.00 0.00 C ATOM 1128 O ASN A 130 70.509 12.965 14.732 1.00 0.00 O ATOM 1129 CB ASN A 130 68.378 14.577 14.266 1.00 0.00 C ATOM 1130 CG ASN A 130 67.407 15.676 13.852 1.00 0.00 C ATOM 1131 OD1 ASN A 130 67.596 16.323 12.824 1.00 0.00 O ATOM 1132 ND2 ASN A 130 66.372 15.931 14.606 1.00 0.00 N ATOM 1133 HD22 ASN A 130 66.214 15.382 15.475 1.00 0.00 H ATOM 1134 HD21 ASN A 130 65.705 16.683 14.337 1.00 0.00 H ATOM 1135 H ASN A 130 68.185 12.346 12.391 1.00 0.00 H ATOM 1136 N PRO A 131 71.304 13.000 12.669 1.00 0.00 N ATOM 1137 CA PRO A 131 72.513 12.195 13.003 1.00 0.00 C ATOM 1138 C PRO A 131 73.491 12.947 13.914 1.00 0.00 C ATOM 1139 O PRO A 131 73.560 14.176 13.879 1.00 0.00 O ATOM 1140 CB PRO A 131 73.145 11.915 11.639 1.00 0.00 C ATOM 1141 CG PRO A 131 72.645 12.999 10.743 1.00 0.00 C ATOM 1142 CD PRO A 131 71.259 13.373 11.249 1.00 0.00 C ATOM 1143 N PRO A 132 74.246 12.236 14.723 1.00 0.00 N ATOM 1144 CA PRO A 132 75.235 12.860 15.652 1.00 0.00 C ATOM 1145 C PRO A 132 76.135 13.868 14.942 1.00 0.00 C ATOM 1146 O PRO A 132 76.503 14.848 15.568 1.00 0.00 O ATOM 1147 CB PRO A 132 76.052 11.674 16.173 1.00 0.00 C ATOM 1148 CG PRO A 132 75.160 10.485 16.030 1.00 0.00 C ATOM 1149 CD PRO A 132 74.244 10.767 14.842 1.00 0.00 C TER 1150 PRO A 132 HETATM 1151 N GLN A 1 53.265 -14.996 24.403 1.00 0.24 N HETATM 1152 CA GLN A 1 54.099 -13.898 24.969 1.00 0.07 C HETATM 1153 C GLN A 1 54.290 -12.817 23.916 1.00 0.23 C HETATM 1154 O GLN A 1 53.765 -11.711 24.046 1.00 -0.39 O HETATM 1155 N GLN A 1 55.050 -13.136 22.876 1.00 -0.26 N HETATM 1156 CA GLN A 1 55.305 -12.172 21.815 1.00 0.13 C HETATM 1157 C GLN A 1 54.050 -11.952 20.963 1.00 0.21 C HETATM 1158 O GLN A 1 53.204 -12.840 20.854 1.00 -0.39 O HETATM 1159 N GLN A 1 53.914 -10.791 20.363 1.00 -0.25 N HETATM 1160 CA GLN A 1 52.734 -10.459 19.509 1.00 0.13 C HETATM 1161 C GLN A 1 52.787 -11.148 18.150 1.00 0.20 C HETATM 1162 O GLN A 1 53.859 -11.304 17.563 1.00 -0.39 O HETATM 1163 N GLN A 1 51.627 -11.556 17.653 1.00 -0.26 N HETATM 1164 CA GLN A 1 51.559 -12.226 16.361 1.00 0.13 C HETATM 1165 C GLN A 1 51.729 -11.219 15.225 1.00 0.21 C HETATM 1166 O GLN A 1 51.430 -10.035 15.390 1.00 -0.39 O HETATM 1167 N GLN A 1 52.198 -11.656 14.082 1.00 -0.25 N HETATM 1168 CA GLN A 1 52.398 -10.752 12.912 1.00 0.13 C HETATM 1169 C GLN A 1 51.069 -10.266 12.320 1.00 0.21 C HETATM 1170 O GLN A 1 50.041 -10.929 12.455 1.00 -0.39 O HETATM 1171 N GLN A 1 51.074 -9.125 11.668 1.00 -0.25 N HETATM 1172 CA GLN A 1 49.848 -8.543 11.044 1.00 0.13 C HETATM 1173 C GLN A 1 49.418 -9.302 9.793 1.00 0.20 C HETATM 1174 O GLN A 1 50.172 -10.112 9.255 1.00 -0.39 O HETATM 1175 N GLN A 1 48.199 -9.044 9.342 1.00 -0.26 N HETATM 1176 CA GLN A 1 47.678 -9.709 8.155 1.00 0.13 C HETATM 1177 C GLN A 1 47.756 -8.777 6.942 1.00 0.21 C HETATM 1178 O GLN A 1 47.781 -7.555 7.098 1.00 -0.39 O HETATM 1179 N GLN A 1 47.793 -9.320 5.746 1.00 -0.25 N HETATM 1180 CA GLN A 1 47.863 -8.505 4.494 1.00 0.13 C HETATM 1181 C GLN A 1 46.676 -7.551 4.367 1.00 0.20 C HETATM 1182 O GLN A 1 45.559 -7.875 4.774 1.00 -0.39 O HETATM 1183 N GLN A 1 46.931 -6.371 3.808 1.00 -0.26 N HETATM 1184 CA GLN A 1 45.885 -5.366 3.634 1.00 0.14 C HETATM 1185 C GLN A 1 46.203 -4.451 2.455 1.00 0.21 C HETATM 1186 O GLN A 1 47.338 -4.393 1.994 1.00 -0.39 O HETATM 1187 N GLN A 1 45.196 -3.730 1.975 1.00 -0.26 N HETATM 1188 CA GLN A 1 45.385 -2.816 0.855 1.00 0.13 C HETATM 1189 C GLN A 1 45.875 -1.456 1.351 1.00 0.20 C HETATM 1190 O GLN A 1 45.368 -0.924 2.337 1.00 -0.39 O HETATM 1191 N GLN A 1 46.859 -0.896 0.651 1.00 -0.26 N HETATM 1192 CA GLN A 1 47.407 0.401 1.017 1.00 0.14 C HETATM 1193 C GLN A 1 47.273 1.360 -0.148 1.00 0.21 C HETATM 1194 O GLN A 1 47.730 1.081 -1.257 1.00 -0.39 O HETATM 1195 N GLN A 1 46.641 2.492 0.109 1.00 -0.26 N HETATM 1196 CA GLN A 1 46.450 3.479 -0.926 1.00 0.13 C HETATM 1197 C GLN A 1 46.782 4.857 -0.386 1.00 0.20 C HETATM 1198 O GLN A 1 46.307 5.241 0.681 1.00 -0.39 O HETATM 1199 N GLN A 1 47.603 5.595 -1.113 1.00 -0.26 N HETATM 1200 CA GLN A 1 47.982 6.923 -0.660 1.00 0.14 C HETATM 1201 C GLN A 1 46.787 7.865 -0.738 1.00 0.21 C HETATM 1202 O GLN A 1 46.614 8.591 -1.718 1.00 -0.39 O HETATM 1203 N GLN A 1 45.972 7.844 0.309 1.00 -0.27 N HETATM 1204 CA GLN A 1 44.789 8.696 0.370 1.00 0.11 C HETATM 1205 C GLN A 1 45.142 10.079 0.918 1.00 0.06 C HETATM 1206 O GLN A 1 46.316 10.326 1.137 1.00 -0.57 O HETATM 1207 OXT GLN A 1 44.232 10.869 1.107 1.00 -0.57 O HETATM 1208 CB GLN A 1 43.738 8.044 1.268 1.00 0.04 C HETATM 1209 CG GLN A 1 42.339 8.352 0.744 1.00 0.04 C HETATM 1210 OD1 GLN A 1 42.210 9.275 -0.045 1.00 -0.57 O HETATM 1211 OD2 GLN A 1 41.414 7.660 1.140 1.00 -0.57 O HETATM 1212 H98 GLN A 1 43.838 8.437 2.291 1.00 0.05 H HETATM 1213 H99 GLN A 1 43.892 6.955 1.277 1.00 0.05 H HETATM 1214 H97 GLN A 1 44.378 8.809 -0.644 1.00 0.07 H HETATM 1215 H96 GLN A 1 46.173 7.231 1.073 1.00 0.19 H HETATM 1216 CB GLN A 1 49.108 7.471 -1.540 1.00 0.04 C HETATM 1217 CG GLN A 1 49.574 8.835 -1.033 1.00 0.04 C HETATM 1218 OD1 GLN A 1 49.004 9.320 -0.070 1.00 -0.57 O HETATM 1219 OD2 GLN A 1 50.495 9.377 -1.622 1.00 -0.57 O HETATM 1220 H94 GLN A 1 48.742 7.575 -2.572 1.00 0.05 H HETATM 1221 H95 GLN A 1 49.955 6.770 -1.521 1.00 0.05 H HETATM 1222 H93 GLN A 1 48.330 6.863 0.382 1.00 0.08 H HETATM 1223 H92 GLN A 1 47.964 5.239 -1.975 1.00 0.19 H HETATM 1224 CB GLN A 1 45.006 3.447 -1.417 1.00 -0.00 C HETATM 1225 CG1 GLN A 1 44.651 2.027 -1.842 1.00 -0.05 C HETATM 1226 CD1 GLN A 1 43.162 1.943 -2.183 1.00 -0.06 C HETATM 1227 H89 GLN A 1 42.913 0.916 -2.489 1.00 0.02 H HETATM 1228 H90 GLN A 1 42.935 2.636 -3.007 1.00 0.02 H HETATM 1229 H91 GLN A 1 42.567 2.217 -1.299 1.00 0.02 H HETATM 1230 H84 GLN A 1 44.877 1.333 -1.019 1.00 0.03 H HETATM 1231 H85 GLN A 1 45.244 1.752 -2.727 1.00 0.03 H HETATM 1232 CG2 GLN A 1 44.886 4.354 -2.629 1.00 -0.06 C HETATM 1233 H86 GLN A 1 45.139 5.385 -2.342 1.00 0.02 H HETATM 1234 H87 GLN A 1 43.855 4.322 -3.010 1.00 0.02 H HETATM 1235 H88 GLN A 1 45.578 4.012 -3.413 1.00 0.02 H HETATM 1236 H83 GLN A 1 44.328 3.785 -0.620 1.00 0.03 H HETATM 1237 H82 GLN A 1 47.120 3.251 -1.768 1.00 0.08 H HETATM 1238 H81 GLN A 1 46.292 2.666 1.030 1.00 0.19 H HETATM 1239 CB GLN A 1 48.878 0.264 1.406 1.00 0.02 C HETATM 1240 CG GLN A 1 49.559 1.605 1.280 1.00 -0.05 C HETATM 1241 CD1 GLN A 1 49.011 2.741 1.893 1.00 -0.07 C HETATM 1242 CE1 GLN A 1 49.656 3.973 1.780 1.00 -0.04 C HETATM 1243 CZ GLN A 1 50.846 4.076 1.054 1.00 0.08 C HETATM 1244 CE2 GLN A 1 51.394 2.943 0.441 1.00 -0.04 C HETATM 1245 CD2 GLN A 1 50.750 1.709 0.557 1.00 -0.07 C HETATM 1246 H77 GLN A 1 51.175 0.830 0.085 1.00 0.05 H HETATM 1247 H79 GLN A 1 52.316 3.023 -0.123 1.00 0.05 H HETATM 1248 OH GLN A 1 51.483 5.294 0.946 1.00 -0.34 O HETATM 1249 H80 GLN A 1 50.985 5.953 1.415 1.00 0.25 H HETATM 1250 H78 GLN A 1 49.234 4.851 2.256 1.00 0.05 H HETATM 1251 H76 GLN A 1 48.087 2.662 2.454 1.00 0.05 H HETATM 1252 H74 GLN A 1 49.368 -0.460 0.738 1.00 0.05 H HETATM 1253 H75 GLN A 1 48.951 -0.088 2.446 1.00 0.05 H HETATM 1254 H73 GLN A 1 46.845 0.797 1.876 1.00 0.08 H HETATM 1255 H72 GLN A 1 47.230 -1.377 -0.143 1.00 0.19 H HETATM 1256 CB GLN A 1 44.062 -2.648 0.100 1.00 -0.00 C HETATM 1257 CG GLN A 1 43.759 -3.924 -0.689 1.00 0.00 C HETATM 1258 CD GLN A 1 42.329 -3.887 -1.218 1.00 0.04 C HETATM 1259 OE1 GLN A 1 41.565 -3.063 -0.745 1.00 -0.57 O HETATM 1260 OE2 GLN A 1 42.019 -4.685 -2.088 1.00 -0.57 O HETATM 1261 H70 GLN A 1 43.880 -4.796 -0.030 1.00 0.04 H HETATM 1262 H71 GLN A 1 44.458 -4.003 -1.535 1.00 0.04 H HETATM 1263 H68 GLN A 1 44.141 -1.798 -0.594 1.00 0.03 H HETATM 1264 H69 GLN A 1 43.251 -2.460 0.819 1.00 0.03 H HETATM 1265 H67 GLN A 1 46.137 -3.238 0.172 1.00 0.08 H HETATM 1266 H66 GLN A 1 44.290 -3.816 2.390 1.00 0.19 H HETATM 1267 CB GLN A 1 45.753 -4.523 4.906 1.00 0.02 C HETATM 1268 CG GLN A 1 47.048 -3.787 5.165 1.00 -0.04 C HETATM 1269 CD1 GLN A 1 47.256 -2.508 4.624 1.00 -0.06 C HETATM 1270 CE1 GLN A 1 48.459 -1.828 4.876 1.00 -0.07 C HETATM 1271 CZ GLN A 1 49.447 -2.426 5.666 1.00 -0.07 C HETATM 1272 CE2 GLN A 1 49.238 -3.701 6.205 1.00 -0.07 C HETATM 1273 CD2 GLN A 1 48.039 -4.380 5.955 1.00 -0.06 C HETATM 1274 H62 GLN A 1 47.878 -5.367 6.374 1.00 0.06 H HETATM 1275 H64 GLN A 1 50.005 -4.163 6.816 1.00 0.06 H HETATM 1276 H65 GLN A 1 50.375 -1.901 5.861 1.00 0.06 H HETATM 1277 H63 GLN A 1 48.622 -0.841 4.459 1.00 0.06 H HETATM 1278 H61 GLN A 1 46.489 -2.046 4.013 1.00 0.06 H HETATM 1279 H59 GLN A 1 45.529 -5.180 5.759 1.00 0.05 H HETATM 1280 H60 GLN A 1 44.938 -3.795 4.780 1.00 0.05 H HETATM 1281 H58 GLN A 1 44.931 -5.878 3.441 1.00 0.08 H HETATM 1282 H57 GLN A 1 47.860 -6.167 3.500 1.00 0.19 H HETATM 1283 CB GLN A 1 47.836 -9.550 3.370 1.00 -0.01 C HETATM 1284 CG GLN A 1 47.314 -10.797 4.000 1.00 -0.03 C HETATM 1285 CD GLN A 1 47.783 -10.760 5.447 1.00 0.04 C HETATM 1286 H55 GLN A 1 47.084 -11.297 6.105 1.00 0.05 H HETATM 1287 H56 GLN A 1 48.789 -11.194 5.549 1.00 0.05 H HETATM 1288 H53 GLN A 1 47.719 -11.683 3.489 1.00 0.03 H HETATM 1289 H54 GLN A 1 46.215 -10.818 3.954 1.00 0.03 H HETATM 1290 H51 GLN A 1 48.849 -9.714 2.973 1.00 0.03 H HETATM 1291 H52 GLN A 1 47.172 -9.223 2.556 1.00 0.03 H HETATM 1292 H50 GLN A 1 48.797 -7.925 4.465 1.00 0.08 H HETATM 1293 CB GLN A 1 46.228 -10.137 8.395 1.00 -0.00 C HETATM 1294 CG GLN A 1 46.196 -11.260 9.431 1.00 0.00 C HETATM 1295 CD GLN A 1 44.756 -11.671 9.708 1.00 0.04 C HETATM 1296 OE1 GLN A 1 43.865 -11.025 9.180 1.00 -0.57 O HETATM 1297 OE2 GLN A 1 44.563 -12.626 10.442 1.00 -0.57 O HETATM 1298 H48 GLN A 1 46.660 -10.908 10.364 1.00 0.04 H HETATM 1299 H49 GLN A 1 46.755 -12.126 9.047 1.00 0.04 H HETATM 1300 H46 GLN A 1 45.790 -10.495 7.452 1.00 0.03 H HETATM 1301 H47 GLN A 1 45.648 -9.279 8.766 1.00 0.03 H HETATM 1302 H45 GLN A 1 48.285 -10.604 7.954 1.00 0.08 H HETATM 1303 H44 GLN A 1 47.627 -8.381 9.825 1.00 0.19 H HETATM 1304 CB GLN A 1 50.260 -7.108 10.705 1.00 -0.01 C HETATM 1305 CG GLN A 1 51.738 -7.160 10.524 1.00 -0.03 C HETATM 1306 CD GLN A 1 52.250 -8.263 11.450 1.00 0.04 C HETATM 1307 H42 GLN A 1 53.064 -8.827 10.972 1.00 0.05 H HETATM 1308 H43 GLN A 1 52.606 -7.840 12.401 1.00 0.05 H HETATM 1309 H40 GLN A 1 52.189 -6.195 10.798 1.00 0.03 H HETATM 1310 H41 GLN A 1 51.985 -7.397 9.479 1.00 0.03 H HETATM 1311 H38 GLN A 1 49.995 -6.426 11.527 1.00 0.03 H HETATM 1312 H39 GLN A 1 49.769 -6.774 9.779 1.00 0.03 H HETATM 1313 H37 GLN A 1 49.016 -8.545 11.764 1.00 0.08 H HETATM 1314 CB GLN A 1 53.161 -11.619 11.906 1.00 -0.01 C HETATM 1315 CG GLN A 1 52.827 -13.028 12.265 1.00 -0.03 C HETATM 1316 CD GLN A 1 52.597 -13.044 13.775 1.00 0.04 C HETATM 1317 H35 GLN A 1 51.797 -13.751 14.043 1.00 0.05 H HETATM 1318 H36 GLN A 1 53.520 -13.315 14.310 1.00 0.05 H HETATM 1319 H33 GLN A 1 53.660 -13.696 12.000 1.00 0.03 H HETATM 1320 H34 GLN A 1 51.917 -13.350 11.738 1.00 0.03 H HETATM 1321 H31 GLN A 1 54.244 -11.446 11.992 1.00 0.03 H HETATM 1322 H32 GLN A 1 52.834 -11.396 10.880 1.00 0.03 H HETATM 1323 H30 GLN A 1 52.999 -9.878 13.203 1.00 0.08 H HETATM 1324 CB GLN A 1 50.227 -12.961 16.204 1.00 -0.00 C HETATM 1325 CG GLN A 1 50.190 -14.157 17.159 1.00 0.00 C HETATM 1326 CD GLN A 1 49.607 -13.748 18.508 1.00 0.04 C HETATM 1327 OE1 GLN A 1 49.423 -12.561 18.722 1.00 -0.57 O HETATM 1328 OE2 GLN A 1 49.353 -14.632 19.310 1.00 -0.57 O HETATM 1329 H28 GLN A 1 51.213 -14.534 17.306 1.00 0.04 H HETATM 1330 H29 GLN A 1 49.566 -14.950 16.721 1.00 0.04 H HETATM 1331 H26 GLN A 1 50.123 -13.316 15.168 1.00 0.03 H HETATM 1332 H27 GLN A 1 49.400 -12.276 16.442 1.00 0.03 H HETATM 1333 H25 GLN A 1 52.375 -12.961 16.305 1.00 0.08 H HETATM 1334 H24 GLN A 1 50.787 -11.402 18.173 1.00 0.19 H HETATM 1335 CB GLN A 1 52.810 -8.940 19.368 1.00 -0.01 C HETATM 1336 CG GLN A 1 54.258 -8.607 19.507 1.00 -0.03 C HETATM 1337 CD GLN A 1 54.867 -9.670 20.424 1.00 0.04 C HETATM 1338 H22 GLN A 1 55.857 -9.980 20.058 1.00 0.05 H HETATM 1339 H23 GLN A 1 54.958 -9.291 21.453 1.00 0.05 H HETATM 1340 H20 GLN A 1 54.376 -7.609 19.953 1.00 0.03 H HETATM 1341 H21 GLN A 1 54.748 -8.629 18.523 1.00 0.03 H HETATM 1342 H18 GLN A 1 52.224 -8.449 20.159 1.00 0.03 H HETATM 1343 H19 GLN A 1 52.434 -8.624 18.384 1.00 0.03 H HETATM 1344 H17 GLN A 1 51.803 -10.752 20.016 1.00 0.08 H HETATM 1345 CB GLN A 1 56.452 -12.653 20.927 1.00 -0.00 C HETATM 1346 CG GLN A 1 57.759 -12.616 21.721 1.00 0.00 C HETATM 1347 CD GLN A 1 58.908 -13.126 20.858 1.00 0.04 C HETATM 1348 OE1 GLN A 1 58.649 -13.517 19.732 1.00 -0.57 O HETATM 1349 OE2 GLN A 1 60.031 -13.117 21.336 1.00 -0.57 O HETATM 1350 H15 GLN A 1 57.662 -13.254 22.612 1.00 0.04 H HETATM 1351 H16 GLN A 1 57.968 -11.582 22.031 1.00 0.04 H HETATM 1352 H13 GLN A 1 56.537 -11.996 20.049 1.00 0.03 H HETATM 1353 H14 GLN A 1 56.253 -13.683 20.596 1.00 0.03 H HETATM 1354 H12 GLN A 1 55.591 -11.214 22.274 1.00 0.08 H HETATM 1355 H11 GLN A 1 55.453 -14.050 22.820 1.00 0.19 H HETATM 1356 CB GLN A 1 55.460 -14.457 25.388 1.00 0.02 C HETATM 1357 CG GLN A 1 56.306 -13.338 26.001 1.00 0.04 C HETATM 1358 CD GLN A 1 57.653 -13.890 26.452 1.00 0.17 C HETATM 1359 OE1 GLN A 1 57.928 -15.078 26.279 1.00 -0.40 O HETATM 1360 NE2 GLN A 1 58.515 -13.096 27.027 1.00 -0.30 N HETATM 1361 H9 GLN A 1 59.401 -13.452 27.325 1.00 0.18 H HETATM 1362 H10 GLN A 1 58.290 -12.132 27.169 1.00 0.18 H HETATM 1363 H7 GLN A 1 55.777 -12.915 26.868 1.00 0.05 H HETATM 1364 H8 GLN A 1 56.468 -12.551 25.250 1.00 0.05 H HETATM 1365 H5 GLN A 1 55.976 -14.865 24.506 1.00 0.04 H HETATM 1366 H6 GLN A 1 55.315 -15.256 26.131 1.00 0.04 H HETATM 1367 H4 GLN A 1 53.594 -13.469 25.847 1.00 0.11 H HETATM 1368 H1 GLN A 1 53.137 -15.714 25.099 1.00 0.20 H HETATM 1369 H2 GLN A 1 53.727 -15.388 23.597 1.00 0.20 H HETATM 1370 H3 GLN A 1 52.367 -14.629 24.130 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1151 1152 1368 1369 1370 CONECT 1152 1151 1153 1356 1367 CONECT 1153 1152 1154 1155 CONECT 1154 1153 CONECT 1155 1153 1156 1355 CONECT 1156 1155 1157 1345 1354 CONECT 1157 1156 1158 1159 CONECT 1158 1157 CONECT 1159 1157 1160 1337 CONECT 1160 1159 1161 1335 1344 CONECT 1161 1160 1162 1163 CONECT 1162 1161 CONECT 1163 1161 1164 1334 CONECT 1164 1163 1165 1324 1333 CONECT 1165 1164 1166 1167 CONECT 1166 1165 CONECT 1167 1165 1168 1316 CONECT 1168 1167 1169 1314 1323 CONECT 1169 1168 1170 1171 CONECT 1170 1169 CONECT 1171 1169 1172 1306 CONECT 1172 1171 1173 1304 1313 CONECT 1173 1172 1174 1175 CONECT 1174 1173 CONECT 1175 1173 1176 1303 CONECT 1176 1175 1177 1293 1302 CONECT 1177 1176 1178 1179 CONECT 1178 1177 CONECT 1179 1177 1180 1285 CONECT 1180 1179 1181 1283 1292 CONECT 1181 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 1184 1282 CONECT 1184 1183 1185 1267 1281 CONECT 1185 1184 1186 1187 CONECT 1186 1185 CONECT 1187 1185 1188 1266 CONECT 1188 1187 1189 1256 1265 CONECT 1189 1188 1190 1191 CONECT 1190 1189 CONECT 1191 1189 1192 1255 CONECT 1192 1191 1193 1239 1254 CONECT 1193 1192 1194 1195 CONECT 1194 1193 CONECT 1195 1193 1196 1238 CONECT 1196 1195 1197 1224 1237 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 1200 1223 CONECT 1200 1199 1201 1216 1222 CONECT 1201 1200 1202 1203 CONECT 1202 1201 CONECT 1203 1201 1204 1215 CONECT 1204 1203 1205 1208 1214 CONECT 1205 1204 1206 1207 CONECT 1206 1205 CONECT 1207 1205 CONECT 1208 1204 1209 1212 1213 CONECT 1209 1208 1210 1211 CONECT 1210 1209 CONECT 1211 1209 CONECT 1212 1208 CONECT 1213 1208 CONECT 1214 1204 CONECT 1215 1203 CONECT 1216 1200 1217 1220 1221 CONECT 1217 1216 1218 1219 CONECT 1218 1217 CONECT 1219 1217 CONECT 1220 1216 CONECT 1221 1216 CONECT 1222 1200 CONECT 1223 1199 CONECT 1224 1196 1225 1232 1236 CONECT 1225 1224 1226 1230 1231 CONECT 1226 1225 1227 1228 1229 CONECT 1227 1226 CONECT 1228 1226 CONECT 1229 1226 CONECT 1230 1225 CONECT 1231 1225 CONECT 1232 1224 1233 1234 1235 CONECT 1233 1232 CONECT 1234 1232 CONECT 1235 1232 CONECT 1236 1224 CONECT 1237 1196 CONECT 1238 1195 CONECT 1239 1192 1240 1252 1253 CONECT 1240 1239 1241 1245 CONECT 1241 1240 1242 1251 CONECT 1242 1241 1243 1250 CONECT 1243 1242 1244 1248 CONECT 1244 1243 1245 1247 CONECT 1245 1240 1244 1246 CONECT 1246 1245 CONECT 1247 1244 CONECT 1248 1243 1249 CONECT 1249 1248 CONECT 1250 1242 CONECT 1251 1241 CONECT 1252 1239 CONECT 1253 1239 CONECT 1254 1192 CONECT 1255 1191 CONECT 1256 1188 1257 1263 1264 CONECT 1257 1256 1258 1261 1262 CONECT 1258 1257 1259 1260 CONECT 1259 1258 CONECT 1260 1258 CONECT 1261 1257 CONECT 1262 1257 CONECT 1263 1256 CONECT 1264 1256 CONECT 1265 1188 CONECT 1266 1187 CONECT 1267 1184 1268 1279 1280 CONECT 1268 1267 1269 1273 CONECT 1269 1268 1270 1278 CONECT 1270 1269 1271 1277 CONECT 1271 1270 1272 1276 CONECT 1272 1271 1273 1275 CONECT 1273 1268 1272 1274 CONECT 1274 1273 CONECT 1275 1272 CONECT 1276 1271 CONECT 1277 1270 CONECT 1278 1269 CONECT 1279 1267 CONECT 1280 1267 CONECT 1281 1184 CONECT 1282 1183 CONECT 1283 1180 1284 1290 1291 CONECT 1284 1283 1285 1288 1289 CONECT 1285 1179 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1284 CONECT 1289 1284 CONECT 1290 1283 CONECT 1291 1283 CONECT 1292 1180 CONECT 1293 1176 1294 1300 1301 CONECT 1294 1293 1295 1298 1299 CONECT 1295 1294 1296 1297 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1294 CONECT 1299 1294 CONECT 1300 1293 CONECT 1301 1293 CONECT 1302 1176 CONECT 1303 1175 CONECT 1304 1172 1305 1311 1312 CONECT 1305 1304 1306 1309 1310 CONECT 1306 1171 1305 1307 1308 CONECT 1307 1306 CONECT 1308 1306 CONECT 1309 1305 CONECT 1310 1305 CONECT 1311 1304 CONECT 1312 1304 CONECT 1313 1172 CONECT 1314 1168 1315 1321 1322 CONECT 1315 1314 1316 1319 1320 CONECT 1316 1167 1315 1317 1318 CONECT 1317 1316 CONECT 1318 1316 CONECT 1319 1315 CONECT 1320 1315 CONECT 1321 1314 CONECT 1322 1314 CONECT 1323 1168 CONECT 1324 1164 1325 1331 1332 CONECT 1325 1324 1326 1329 1330 CONECT 1326 1325 1327 1328 CONECT 1327 1326 CONECT 1328 1326 CONECT 1329 1325 CONECT 1330 1325 CONECT 1331 1324 CONECT 1332 1324 CONECT 1333 1164 CONECT 1334 1163 CONECT 1335 1160 1336 1342 1343 CONECT 1336 1335 1337 1340 1341 CONECT 1337 1159 1336 1338 1339 CONECT 1338 1337 CONECT 1339 1337 CONECT 1340 1336 CONECT 1341 1336 CONECT 1342 1335 CONECT 1343 1335 CONECT 1344 1160 CONECT 1345 1156 1346 1352 1353 CONECT 1346 1345 1347 1350 1351 CONECT 1347 1346 1348 1349 CONECT 1348 1347 CONECT 1349 1347 CONECT 1350 1346 CONECT 1351 1346 CONECT 1352 1345 CONECT 1353 1345 CONECT 1354 1156 CONECT 1355 1155 CONECT 1356 1152 1357 1365 1366 CONECT 1357 1356 1358 1363 1364 CONECT 1358 1357 1359 1360 CONECT 1359 1358 CONECT 1360 1358 1361 1362 CONECT 1361 1360 CONECT 1362 1360 CONECT 1363 1357 CONECT 1364 1357 CONECT 1365 1356 CONECT 1366 1356 CONECT 1367 1152 CONECT 1368 1151 CONECT 1369 1151 CONECT 1370 1151 MASTER 0 0 0 0 0 0 0 0 1369 1 224 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6co4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5v1y
RCSB PDB
PDBbind
16aa, >5V1Y_3|Chains... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1azg
RCSB PDB
PDBbind
14-mer
1bt6
RCSB PDB
PDBbind
14-mer
1eoj
RCSB PDB
PDBbind
14-mer
1f3j
RCSB PDB
PDBbind
14-mer
1i3z
RCSB PDB
PDBbind
14-mer
1iht
RCSB PDB
PDBbind
14-mer
1jbd
RCSB PDB
PDBbind
14-mer
1mv0
RCSB PDB
PDBbind
14-mer
1n5z
RCSB PDB
PDBbind
14-mer
1ntv
RCSB PDB
PDBbind
14-mer
1oj5
RCSB PDB
PDBbind
14-mer
1oxg
RCSB PDB
PDBbind
14-mer
1sfi
RCSB PDB
PDBbind
14-mer
1t29
RCSB PDB
PDBbind
14-mer
1x11
RCSB PDB
PDBbind
14-mer
1xh3
RCSB PDB
PDBbind
14-mer
1xn3
RCSB PDB
PDBbind
14-mer
1y19
RCSB PDB
PDBbind
14-mer
2fci
RCSB PDB
PDBbind
14-mer
2fx9
RCSB PDB
PDBbind
14-mer
2hug
RCSB PDB
PDBbind
14-mer
2jnw
RCSB PDB
PDBbind
14-mer
2l0i
RCSB PDB
PDBbind
14-mer
2l6e
RCSB PDB
PDBbind
14-mer
2l75
RCSB PDB
PDBbind
14-mer
2lo6
RCSB PDB
PDBbind
14-mer
2loz
RCSB PDB
PDBbind
14-mer
2ltw
RCSB PDB
PDBbind
14-mer
2n8t
RCSB PDB
PDBbind
14-mer
2oi3
RCSB PDB
PDBbind
14-mer
2w2u
RCSB PDB
PDBbind
14-mer
2xl2
RCSB PDB
PDBbind
14-mer
2xl3
RCSB PDB
PDBbind
14-mer
2xrw
RCSB PDB
PDBbind
14-mer
2xs0
RCSB PDB
PDBbind
14-mer
2y8o
RCSB PDB
PDBbind
14-mer
3d9k
RCSB PDB
PDBbind
14-mer
3d9l
RCSB PDB
PDBbind
14-mer
3d9m
RCSB PDB
PDBbind
14-mer
3d9n
RCSB PDB
PDBbind
14-mer
3d9o
RCSB PDB
PDBbind
14-mer
3d9p
RCSB PDB
PDBbind
14-mer
3g2w
RCSB PDB
PDBbind
14-mer
3lrh
RCSB PDB
PDBbind
14-mer
3meu
RCSB PDB
PDBbind
14-mer
3pkn
RCSB PDB
PDBbind
14-mer
3rqe
RCSB PDB
PDBbind
14-mer
3so6
RCSB PDB
PDBbind
14-mer
3ual
RCSB PDB
PDBbind
14-mer
3wdz
RCSB PDB
PDBbind
14-mer
3wut
RCSB PDB
PDBbind
14-mer
3wuu
RCSB PDB
PDBbind
14-mer
3wuv
RCSB PDB
PDBbind
14-mer
4aza
RCSB PDB
PDBbind
14-mer
4ch2
RCSB PDB
PDBbind
14-mer
4ch8
RCSB PDB
PDBbind
14-mer
4erq
RCSB PDB
PDBbind
14-mer
4ery
RCSB PDB
PDBbind
14-mer
4erz
RCSB PDB
PDBbind
14-mer
4es0
RCSB PDB
PDBbind
14-mer
4ewr
RCSB PDB
PDBbind
14-mer
4fi9
RCSB PDB
PDBbind
14-mer
4gly
RCSB PDB
PDBbind
14-mer
4gxl
RCSB PDB
PDBbind
14-mer
4hgc
RCSB PDB
PDBbind
14-mer
4i7b
RCSB PDB
PDBbind
14-mer
4i7c
RCSB PDB
PDBbind
14-mer
4i7d
RCSB PDB
PDBbind
14-mer
4k1e
RCSB PDB
PDBbind
14-mer
4ktu
RCSB PDB
PDBbind
14-mer
4m1d
RCSB PDB
PDBbind
14-mer
4mnv
RCSB PDB
PDBbind
14-mer
4mnw
RCSB PDB
PDBbind
14-mer
4mnx
RCSB PDB
PDBbind
14-mer
4mny
RCSB PDB
PDBbind
14-mer
4o4y
RCSB PDB
PDBbind
14-mer
4ofb
RCSB PDB
PDBbind
14-mer
4os2
RCSB PDB
PDBbind
14-mer
4os6
RCSB PDB
PDBbind
14-mer
4ov5
RCSB PDB
PDBbind
14-mer
4wv6
RCSB PDB
PDBbind
14-mer
5aer
RCSB PDB
PDBbind
14-mer
5dpw
RCSB PDB
PDBbind
14-mer
5e0l
RCSB PDB
PDBbind
14-mer
5eoc
RCSB PDB
PDBbind
14-mer
5h5s
RCSB PDB
PDBbind
14-mer
5ixf
RCSB PDB
PDBbind
14-mer
5ly1
RCSB PDB
PDBbind
14-mer
5ly2
RCSB PDB
PDBbind
14-mer
5n8w
RCSB PDB
PDBbind
14-mer
5unj
RCSB PDB
PDBbind
14-mer
5vlh
RCSB PDB
PDBbind
14-mer
5vll
RCSB PDB
PDBbind
14-mer
5wbk
RCSB PDB
PDBbind
14-mer
5zoo
RCSB PDB
PDBbind
14-mer
6axk
RCSB PDB
PDBbind
14-mer
6axl
RCSB PDB
PDBbind
14-mer
6b27
RCSB PDB
PDBbind
14-mer
6qcg
RCSB PDB
PDBbind
14-mer
6qc0
RCSB PDB
PDBbind
14-mer
6pxc
RCSB PDB
PDBbind
14-mer
6o3w
RCSB PDB
PDBbind
14-mer
6o21
RCSB PDB
PDBbind
14-mer
6nk1
RCSB PDB
PDBbind
14-mer
6fzp
RCSB PDB
PDBbind
14-mer
6fzj
RCSB PDB
PDBbind
14-mer
6fzf
RCSB PDB
PDBbind
14-mer
6d3x
RCSB PDB
PDBbind
14-mer
6bvh
RCSB PDB
PDBbind
14-mer
6bcr
RCSB PDB
PDBbind
14-mer
5zk7
RCSB PDB
PDBbind
14-mer
5zjy
RCSB PDB
PDBbind
14-mer
5y21
RCSB PDB
PDBbind
14-mer
5xvw
RCSB PDB
PDBbind
14-mer
5vk0
RCSB PDB
PDBbind
14-mer
5ok6
RCSB PDB
PDBbind
14-mer
6bd1
RCSB PDB
PDBbind
14-mer
Entry Information
PDB ID
6co4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Proteasome-ubiquitin receptor hRpn13
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=27nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nat Commun Vol. 8: pp. 15540-15540
Ligand Properties
Formula
C
7
7
H
1
0
6
N
1
5
O
2
9
Molecular Weight
1705.750
Exact Mass
1704.730
No. of atoms
227
No. of bonds
232
Polar Surface Area
695.2
LOGP Value
3.66 (
Computed with XLOGP3
)
-1.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 29
No. of Rotatable Bonds: 55
No. of Nitrogen and Oxygen Atoms: 44
No. of Rings: 6
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)[NH3+])CCC(=O)O)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CCC(=O)O)Cc1ccc(cc1)O)C
InChI String
InChI=1S/C77H105N15O29/c1-3-39(2)63(72(115)86-50(37-61(103)104)67(110)87-51(77(120)121)38-62(105)106)88-68(111)49(36-41-17-19-42(93)20-18-41)84-65(108)44(22-27-57(95)96)80-66(109)48(35-40-11-5-4-6-12-40)85-71(114)53-14-8-32-90(53)74(117)46(24-29-59(99)100)82-70(113)54-15-9-33-91(54)76(119)55-16-10-34-92(55)75(118)47(25-30-60(101)102)83-69(112)52-13-7-31-89(52)73(116)45(23-28-58(97)98)81-64(107)43(78)21-26-56(79)94/h4-6,11-12,17-20,39,43-55,63,93H,3,7-10,13-16,21-38,78H2,1-2H3,(H2,79,94)(H,80,109)(H,81,107)(H,82,113)(H,83,112)(H,84,108)(H,85,114)(H,86,115)(H,87,110)(H,88,111)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,120,121)/p+1/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,63-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q99460
Q16186
Entrez Gene ID
NCBI Entrez Gene ID:
5707
11047
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com