Browse entries in the PDBbind-CN Database
HEADER 6MIM_COMPLEX COMPND 6MIM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 137 MET ALA SER SER CYS ALA VAL GLN VAL LYS LEU GLU LEU SEQRES 2 A 137 GLY HIS ARG ALA GLN VAL ARG LYS LYS PRO THR VAL GLU SEQRES 3 A 137 GLY PHE THR HIS ASP TRP MET VAL PHE VAL ARG GLY PRO SEQRES 4 A 137 GLU HIS SER ASN ILE GLN HIS PHE VAL GLU LYS VAL VAL SEQRES 5 A 137 PHE HIS LEU HIS GLU SER PHE PRO ARG PRO LYS ARG VAL SEQRES 6 A 137 CYS LYS ASP PRO PRO TYR LYS VAL GLU GLU SER GLY TRP SEQRES 7 A 137 ALA GLY PHE ILE LEU PRO ILE GLU VAL TYR PHE LYS ASN SEQRES 8 A 137 LYS GLU GLU PRO ARG LYS VAL ARG PHE ASP TYR ASP LEU SEQRES 9 A 137 PHE LEU HIS LEU GLU GLY HIS PRO PRO VAL ASN HIS LEU SEQRES 10 A 137 ARG CYS GLU LYS LEU THR PHE ASN ASN PRO THR GLU ASP SEQRES 11 A 137 PHE ARG ARG LYS LEU LEU LYS HET GLN A 202 109 ATOM 1 N MET A 1 3.882 -17.865 -55.025 1.00 85.83 N ATOM 2 CA MET A 1 4.454 -16.702 -55.690 1.00 89.55 C ATOM 3 C MET A 1 3.523 -15.521 -55.485 1.00 88.52 C ATOM 4 O MET A 1 3.965 -14.405 -55.216 1.00 87.13 O ATOM 5 CB MET A 1 4.678 -16.974 -57.189 1.00 94.90 C ATOM 6 CG MET A 1 5.237 -15.786 -57.987 1.00102.64 C ATOM 7 SD MET A 1 6.796 -15.133 -57.335 1.00111.56 S ATOM 8 CE MET A 1 7.851 -16.580 -57.428 1.00103.28 C ATOM 9 HN3 MET A 1 2.949 -18.073 -55.435 1.00 0.00 H ATOM 10 HN2 MET A 1 3.779 -17.666 -54.009 1.00 0.00 H ATOM 11 HN1 MET A 1 4.511 -18.683 -55.158 1.00 0.00 H ATOM 12 N ALA A 2 2.222 -15.784 -55.606 1.00 75.05 N ATOM 13 CA ALA A 2 1.204 -14.752 -55.445 1.00 68.15 C ATOM 14 C ALA A 2 0.750 -14.582 -54.009 1.00 69.47 C ATOM 15 O ALA A 2 0.166 -13.544 -53.679 1.00 62.72 O ATOM 16 CB ALA A 2 -0.032 -15.068 -56.289 1.00 61.05 C ATOM 17 H ALA A 2 1.923 -16.756 -55.822 1.00 0.00 H ATOM 18 N SER A 3 0.963 -15.583 -53.165 1.00 72.35 N ATOM 19 CA SER A 3 0.578 -15.504 -51.769 1.00 67.84 C ATOM 20 C SER A 3 1.770 -15.150 -50.900 1.00 65.64 C ATOM 21 O SER A 3 2.931 -15.286 -51.292 1.00 68.63 O ATOM 22 CB SER A 3 -0.032 -16.817 -51.295 1.00 66.08 C ATOM 23 OG SER A 3 0.785 -17.904 -51.664 1.00 73.99 O ATOM 24 HG SER A 3 0.373 -18.747 -51.348 1.00 0.00 H ATOM 25 H SER A 3 1.419 -16.450 -53.515 1.00 0.00 H ATOM 26 N SER A 4 1.451 -14.694 -49.694 1.00 60.06 N ATOM 27 CA SER A 4 2.434 -14.229 -48.734 1.00 56.99 C ATOM 28 C SER A 4 1.818 -14.359 -47.346 1.00 59.07 C ATOM 29 O SER A 4 0.608 -14.192 -47.175 1.00 55.66 O ATOM 30 CB SER A 4 2.834 -12.788 -49.043 1.00 54.06 C ATOM 31 OG SER A 4 3.938 -12.398 -48.263 1.00 64.99 O ATOM 32 HG SER A 4 4.179 -11.463 -48.479 1.00 0.00 H ATOM 33 H SER A 4 0.447 -14.669 -49.425 1.00 0.00 H ATOM 34 N CYS A 5 2.654 -14.659 -46.355 1.00 62.89 N ATOM 35 CA CYS A 5 2.172 -15.044 -45.033 1.00 59.89 C ATOM 36 C CYS A 5 2.921 -14.292 -43.947 1.00 56.19 C ATOM 37 O CYS A 5 4.151 -14.219 -43.986 1.00 55.49 O ATOM 38 CB CYS A 5 2.352 -16.544 -44.824 1.00 55.82 C ATOM 39 SG CYS A 5 1.691 -17.112 -43.284 1.00 75.02 S ATOM 40 H CYS A 5 3.679 -14.618 -46.528 1.00 0.00 H ATOM 41 N ALA A 6 2.191 -13.749 -42.971 1.00 55.28 N ATOM 42 CA ALA A 6 2.805 -13.193 -41.763 1.00 53.52 C ATOM 43 C ALA A 6 2.195 -13.866 -40.545 1.00 52.38 C ATOM 44 O ALA A 6 0.997 -13.690 -40.278 1.00 52.56 O ATOM 45 CB ALA A 6 2.622 -11.673 -41.673 1.00 46.34 C ATOM 46 H ALA A 6 1.156 -13.720 -43.071 1.00 0.00 H ATOM 47 N VAL A 7 3.013 -14.612 -39.788 1.00 51.80 N ATOM 48 CA VAL A 7 2.548 -15.219 -38.539 1.00 52.36 C ATOM 49 C VAL A 7 2.882 -14.315 -37.359 1.00 48.49 C ATOM 50 O VAL A 7 4.020 -13.860 -37.213 1.00 45.49 O ATOM 51 CB VAL A 7 3.148 -16.615 -38.343 1.00 50.79 C ATOM 52 CG1 VAL A 7 2.744 -17.180 -36.944 1.00 46.07 C ATOM 53 CG2 VAL A 7 2.712 -17.529 -39.495 1.00 50.35 C ATOM 54 H VAL A 7 3.996 -14.762 -40.094 1.00 0.00 H ATOM 55 N GLN A 8 1.895 -14.084 -36.502 1.00 48.27 N ATOM 56 CA GLN A 8 2.048 -13.266 -35.305 1.00 48.98 C ATOM 57 C GLN A 8 1.876 -14.123 -34.045 1.00 48.15 C ATOM 58 O GLN A 8 0.851 -14.805 -33.881 1.00 46.25 O ATOM 59 CB GLN A 8 1.029 -12.137 -35.348 1.00 46.35 C ATOM 60 CG GLN A 8 1.124 -11.187 -34.224 1.00 55.20 C ATOM 61 CD GLN A 8 0.158 -10.057 -34.398 1.00 62.39 C ATOM 62 OE1 GLN A 8 -0.595 -9.718 -33.479 1.00 64.81 O ATOM 63 NE2 GLN A 8 0.163 -9.459 -35.590 1.00 55.77 N ATOM 64 HE22 GLN A 8 0.817 -9.782 -36.331 1.00 0.00 H ATOM 65 HE21 GLN A 8 -0.487 -8.669 -35.778 1.00 0.00 H ATOM 66 H GLN A 8 0.965 -14.508 -36.694 1.00 0.00 H ATOM 67 N VAL A 9 2.875 -14.101 -33.160 1.00 43.26 N ATOM 68 CA VAL A 9 2.762 -14.768 -31.861 1.00 48.86 C ATOM 69 C VAL A 9 2.831 -13.742 -30.733 1.00 44.74 C ATOM 70 O VAL A 9 3.545 -12.738 -30.808 1.00 42.25 O ATOM 71 CB VAL A 9 3.826 -15.869 -31.647 1.00 46.97 C ATOM 72 CG1 VAL A 9 3.653 -16.989 -32.662 1.00 47.23 C ATOM 73 CG2 VAL A 9 5.234 -15.298 -31.706 1.00 47.15 C ATOM 74 H VAL A 9 3.754 -13.599 -33.398 1.00 0.00 H ATOM 75 N LYS A 10 2.091 -14.008 -29.667 1.00 47.06 N ATOM 76 CA LYS A 10 2.135 -13.171 -28.470 1.00 44.46 C ATOM 77 C LYS A 10 3.054 -13.793 -27.422 1.00 39.51 C ATOM 78 O LYS A 10 2.980 -14.997 -27.145 1.00 32.10 O ATOM 79 CB LYS A 10 0.740 -12.972 -27.884 1.00 46.48 C ATOM 80 CG LYS A 10 -0.264 -12.265 -28.796 1.00 52.37 C ATOM 81 CD LYS A 10 -1.690 -12.531 -28.277 1.00 57.23 C ATOM 82 CE LYS A 10 -2.766 -12.050 -29.242 1.00 57.38 C ATOM 83 NZ LYS A 10 -2.789 -10.557 -29.306 1.00 60.99 N ATOM 84 HZ1 LYS A 10 -2.989 -10.174 -28.360 1.00 0.00 H ATOM 85 HZ2 LYS A 10 -1.864 -10.211 -29.633 1.00 0.00 H ATOM 86 HZ3 LYS A 10 -3.529 -10.251 -29.969 1.00 0.00 H ATOM 87 H LYS A 10 1.461 -14.835 -29.682 1.00 0.00 H ATOM 88 N LEU A 11 3.911 -12.967 -26.845 1.00 39.80 N ATOM 89 CA LEU A 11 4.770 -13.349 -25.738 1.00 34.38 C ATOM 90 C LEU A 11 4.502 -12.446 -24.549 1.00 39.93 C ATOM 91 O LEU A 11 4.253 -11.243 -24.716 1.00 42.70 O ATOM 92 CB LEU A 11 6.239 -13.245 -26.111 1.00 32.05 C ATOM 93 CG LEU A 11 6.884 -14.446 -26.776 1.00 34.39 C ATOM 94 CD1 LEU A 11 8.373 -14.147 -26.962 1.00 24.94 C ATOM 95 CD2 LEU A 11 6.611 -15.755 -25.995 1.00 35.63 C ATOM 96 H LEU A 11 3.973 -11.993 -27.203 1.00 0.00 H ATOM 97 N GLU A 12 4.585 -13.012 -23.345 1.00 38.07 N ATOM 98 CA GLU A 12 4.423 -12.247 -22.117 1.00 33.81 C ATOM 99 C GLU A 12 5.686 -12.383 -21.293 1.00 32.56 C ATOM 100 O GLU A 12 6.092 -13.499 -20.960 1.00 34.23 O ATOM 101 CB GLU A 12 3.203 -12.714 -21.332 1.00 37.08 C ATOM 102 CG GLU A 12 1.949 -11.971 -21.746 1.00 43.67 C ATOM 103 CD GLU A 12 0.675 -12.473 -21.035 1.00 51.92 C ATOM 104 OE1 GLU A 12 0.776 -13.118 -19.942 1.00 50.19 O ATOM 105 OE2 GLU A 12 -0.426 -12.209 -21.597 1.00 57.59 O ATOM 106 H GLU A 12 4.772 -14.033 -23.281 1.00 0.00 H ATOM 107 N LEU A 13 6.327 -11.252 -21.028 1.00 31.33 N ATOM 108 CA LEU A 13 7.475 -11.134 -20.148 1.00 27.49 C ATOM 109 C LEU A 13 7.001 -10.479 -18.867 1.00 31.04 C ATOM 110 O LEU A 13 6.167 -9.576 -18.912 1.00 30.90 O ATOM 111 CB LEU A 13 8.559 -10.257 -20.762 1.00 30.16 C ATOM 112 CG LEU A 13 9.474 -10.737 -21.884 1.00 34.76 C ATOM 113 CD1 LEU A 13 8.677 -11.349 -22.986 1.00 34.33 C ATOM 114 CD2 LEU A 13 10.177 -9.532 -22.433 1.00 35.56 C ATOM 115 H LEU A 13 5.981 -10.385 -21.485 1.00 0.00 H ATOM 116 N GLY A 14 7.504 -10.919 -17.720 1.00 29.07 N ATOM 117 CA GLY A 14 7.113 -10.177 -16.532 1.00 24.07 C ATOM 118 C GLY A 14 7.968 -10.564 -15.356 1.00 26.03 C ATOM 119 O GLY A 14 8.893 -11.377 -15.474 1.00 27.15 O ATOM 120 H GLY A 14 8.138 -11.742 -17.674 1.00 0.00 H ATOM 121 N HIS A 15 7.623 -10.000 -14.196 1.00 27.28 N ATOM 122 CA HIS A 15 8.365 -10.357 -12.999 1.00 20.92 C ATOM 123 C HIS A 15 7.568 -9.976 -11.763 1.00 26.96 C ATOM 124 O HIS A 15 6.623 -9.186 -11.821 1.00 25.78 O ATOM 125 CB HIS A 15 9.760 -9.715 -12.985 1.00 22.86 C ATOM 126 CG HIS A 15 9.800 -8.282 -12.535 1.00 23.93 C ATOM 127 ND1 HIS A 15 9.382 -7.230 -13.324 1.00 24.73 N ATOM 128 CD2 HIS A 15 10.306 -7.724 -11.411 1.00 27.20 C ATOM 129 CE1 HIS A 15 9.580 -6.091 -12.684 1.00 26.03 C ATOM 130 NE2 HIS A 15 10.141 -6.362 -11.519 1.00 28.98 N ATOM 131 H HIS A 15 6.839 -9.319 -14.150 1.00 0.00 H ATOM 132 N ARG A 16 7.953 -10.595 -10.651 1.00 22.93 N ATOM 133 CA ARG A 16 7.378 -10.382 -9.345 1.00 25.34 C ATOM 134 C ARG A 16 8.521 -10.063 -8.403 1.00 29.18 C ATOM 135 O ARG A 16 9.575 -10.707 -8.469 1.00 28.24 O ATOM 136 CB ARG A 16 6.613 -11.614 -8.859 1.00 26.70 C ATOM 137 CG ARG A 16 5.157 -11.533 -9.190 1.00 33.49 C ATOM 138 CD ARG A 16 4.395 -12.685 -8.637 1.00 39.10 C ATOM 139 NE ARG A 16 3.796 -13.375 -9.758 1.00 53.19 N ATOM 140 CZ ARG A 16 2.561 -13.151 -10.189 1.00 61.11 C ATOM 141 NH1 ARG A 16 2.104 -13.803 -11.260 1.00 62.02 N ATOM 142 NH2 ARG A 16 1.778 -12.291 -9.534 1.00 59.06 N ATOM 143 HE ARG A 16 4.366 -14.088 -10.255 1.00 0.00 H ATOM 144 HH12 ARG A 16 1.137 -13.630 -11.601 1.00 0.00 H ATOM 145 HH11 ARG A 16 2.715 -14.484 -11.754 1.00 0.00 H ATOM 146 HH22 ARG A 16 0.809 -12.112 -9.868 1.00 0.00 H ATOM 147 HH21 ARG A 16 2.137 -11.800 -8.690 1.00 0.00 H ATOM 148 H ARG A 16 8.727 -11.285 -10.729 1.00 0.00 H ATOM 149 N ALA A 17 8.334 -9.052 -7.549 1.00 26.69 N ATOM 150 CA ALA A 17 9.382 -8.703 -6.598 1.00 25.90 C ATOM 151 C ALA A 17 8.753 -8.325 -5.270 1.00 29.09 C ATOM 152 O ALA A 17 7.851 -7.478 -5.220 1.00 30.36 O ATOM 153 CB ALA A 17 10.258 -7.557 -7.114 1.00 25.76 C ATOM 154 H ALA A 17 7.443 -8.516 -7.563 1.00 0.00 H ATOM 155 N GLN A 18 9.250 -8.933 -4.201 1.00 29.16 N ATOM 156 CA GLN A 18 8.721 -8.742 -2.867 1.00 30.51 C ATOM 157 C GLN A 18 9.861 -8.574 -1.875 1.00 33.91 C ATOM 158 O GLN A 18 10.861 -9.306 -1.927 1.00 28.10 O ATOM 159 CB GLN A 18 7.881 -9.945 -2.462 1.00 39.27 C ATOM 160 CG GLN A 18 6.725 -9.691 -1.521 1.00 44.40 C ATOM 161 CD GLN A 18 5.478 -10.428 -2.006 1.00 50.07 C ATOM 162 OE1 GLN A 18 5.570 -11.360 -2.818 1.00 53.91 O ATOM 163 NE2 GLN A 18 4.312 -9.999 -1.539 1.00 52.07 N ATOM 164 HE22 GLN A 18 4.282 -9.213 -0.858 1.00 0.00 H ATOM 165 HE21 GLN A 18 3.429 -10.449 -1.854 1.00 0.00 H ATOM 166 H GLN A 18 10.057 -9.577 -4.327 1.00 0.00 H ATOM 167 N VAL A 19 9.694 -7.627 -0.952 1.00 32.00 N ATOM 168 CA VAL A 19 10.642 -7.507 0.138 1.00 32.34 C ATOM 169 C VAL A 19 10.510 -8.741 1.018 1.00 34.27 C ATOM 170 O VAL A 19 9.388 -9.183 1.299 1.00 31.26 O ATOM 171 CB VAL A 19 10.381 -6.215 0.919 1.00 33.38 C ATOM 172 CG1 VAL A 19 11.165 -6.234 2.214 1.00 36.67 C ATOM 173 CG2 VAL A 19 10.739 -5.016 0.077 1.00 32.58 C ATOM 174 H VAL A 19 8.885 -6.976 -1.014 1.00 0.00 H ATOM 175 N ARG A 20 11.651 -9.338 1.397 1.00 33.39 N ATOM 176 CA ARG A 20 11.663 -10.542 2.227 1.00 39.37 C ATOM 177 C ARG A 20 11.239 -10.221 3.662 1.00 46.30 C ATOM 178 O ARG A 20 11.291 -9.069 4.104 1.00 46.61 O ATOM 179 CB ARG A 20 13.053 -11.184 2.250 1.00 40.67 C ATOM 180 CG ARG A 20 13.613 -11.569 0.891 1.00 38.34 C ATOM 181 CD ARG A 20 15.107 -11.829 0.947 1.00 37.38 C ATOM 182 NE ARG A 20 15.409 -12.822 1.969 1.00 43.20 N ATOM 183 CZ ARG A 20 15.395 -14.134 1.765 1.00 42.21 C ATOM 184 NH1 ARG A 20 15.123 -14.641 0.560 1.00 46.04 N ATOM 185 NH2 ARG A 20 15.670 -14.937 2.766 1.00 42.59 N ATOM 186 HE ARG A 20 15.652 -12.481 2.921 1.00 0.00 H ATOM 187 HH12 ARG A 20 15.116 -15.671 0.419 1.00 0.00 H ATOM 188 HH11 ARG A 20 14.918 -14.006 -0.237 1.00 0.00 H ATOM 189 HH22 ARG A 20 15.663 -15.967 2.623 1.00 0.00 H ATOM 190 HH21 ARG A 20 15.895 -14.543 3.702 1.00 0.00 H ATOM 191 H ARG A 20 12.557 -8.930 1.090 1.00 0.00 H ATOM 192 N LYS A 21 10.824 -11.263 4.394 1.00 49.32 N ATOM 193 CA LYS A 21 10.623 -11.141 5.841 1.00 52.45 C ATOM 194 C LYS A 21 11.879 -10.618 6.518 1.00 48.12 C ATOM 195 O LYS A 21 11.858 -9.588 7.192 1.00 51.49 O ATOM 196 CB LYS A 21 10.249 -12.492 6.457 1.00 53.34 C ATOM 197 CG LYS A 21 9.020 -13.135 5.888 1.00 62.26 C ATOM 198 CD LYS A 21 8.747 -14.448 6.584 1.00 67.61 C ATOM 199 CE LYS A 21 7.652 -15.235 5.877 1.00 73.01 C ATOM 200 NZ LYS A 21 7.504 -16.580 6.514 1.00 75.13 N ATOM 201 HZ1 LYS A 21 8.403 -17.098 6.441 1.00 0.00 H ATOM 202 HZ2 LYS A 21 7.251 -16.462 7.516 1.00 0.00 H ATOM 203 HZ3 LYS A 21 6.755 -17.112 6.027 1.00 0.00 H ATOM 204 H LYS A 21 10.641 -12.174 3.928 1.00 0.00 H ATOM 205 N LYS A 22 12.982 -11.348 6.370 1.00 50.45 N ATOM 206 CA LYS A 22 14.308 -10.943 6.802 1.00 47.85 C ATOM 207 C LYS A 22 15.274 -11.058 5.634 1.00 43.89 C ATOM 208 O LYS A 22 15.151 -11.965 4.802 1.00 40.38 O ATOM 209 CB LYS A 22 14.816 -11.805 7.977 1.00 54.02 C ATOM 210 CG LYS A 22 14.144 -11.528 9.343 1.00 63.81 C ATOM 211 CD LYS A 22 14.793 -12.343 10.481 1.00 70.81 C ATOM 212 CE LYS A 22 13.975 -12.293 11.782 1.00 77.71 C ATOM 213 NZ LYS A 22 14.619 -13.043 12.928 1.00 72.49 N ATOM 214 HZ1 LYS A 22 14.730 -14.044 12.667 1.00 0.00 H ATOM 215 HZ2 LYS A 22 15.552 -12.631 13.130 1.00 0.00 H ATOM 216 HZ3 LYS A 22 14.016 -12.968 13.772 1.00 0.00 H ATOM 217 H LYS A 22 12.887 -12.277 5.911 1.00 0.00 H ATOM 218 N PRO A 23 16.224 -10.139 5.529 1.00 44.28 N ATOM 219 CA PRO A 23 17.251 -10.255 4.496 1.00 39.75 C ATOM 220 C PRO A 23 18.019 -11.552 4.629 1.00 43.98 C ATOM 221 O PRO A 23 17.974 -12.244 5.646 1.00 44.87 O ATOM 222 CB PRO A 23 18.154 -9.054 4.767 1.00 38.20 C ATOM 223 CG PRO A 23 17.221 -8.062 5.305 1.00 39.99 C ATOM 224 CD PRO A 23 16.212 -8.800 6.142 1.00 32.20 C ATOM 225 N THR A 24 18.734 -11.883 3.568 1.00 44.12 N ATOM 226 CA THR A 24 19.685 -12.973 3.649 1.00 50.87 C ATOM 227 C THR A 24 20.989 -12.469 4.239 1.00 51.59 C ATOM 228 O THR A 24 21.155 -11.283 4.537 1.00 48.61 O ATOM 229 CB THR A 24 19.970 -13.554 2.274 1.00 47.48 C ATOM 230 OG1 THR A 24 20.572 -12.526 1.474 1.00 39.54 O ATOM 231 CG2 THR A 24 18.680 -14.095 1.655 1.00 38.71 C ATOM 232 HG1 THR A 24 21.414 -12.228 1.901 1.00 0.00 H ATOM 233 H THR A 24 18.614 -11.362 2.676 1.00 0.00 H ATOM 234 N VAL A 25 21.958 -13.379 4.315 1.00 56.68 N ATOM 235 CA VAL A 25 23.204 -13.071 5.001 1.00 60.43 C ATOM 236 C VAL A 25 23.952 -11.941 4.310 1.00 59.29 C ATOM 237 O VAL A 25 24.614 -11.136 4.973 1.00 65.51 O ATOM 238 CB VAL A 25 24.061 -14.341 5.112 1.00 58.27 C ATOM 239 CG1 VAL A 25 23.473 -15.251 6.164 1.00 62.69 C ATOM 240 CG2 VAL A 25 24.116 -15.054 3.779 1.00 56.34 C ATOM 241 H VAL A 25 21.824 -14.315 3.882 1.00 0.00 H ATOM 242 N GLU A 26 23.861 -11.846 2.987 1.00 50.81 N ATOM 243 CA GLU A 26 24.576 -10.799 2.274 1.00 47.70 C ATOM 244 C GLU A 26 23.800 -9.499 2.227 1.00 46.50 C ATOM 245 O GLU A 26 24.275 -8.533 1.627 1.00 48.54 O ATOM 246 CB GLU A 26 24.906 -11.228 0.836 1.00 54.21 C ATOM 247 CG GLU A 26 25.317 -12.695 0.627 1.00 56.45 C ATOM 248 CD GLU A 26 24.127 -13.671 0.645 1.00 59.86 C ATOM 249 OE1 GLU A 26 22.992 -13.246 0.971 1.00 57.79 O ATOM 250 OE2 GLU A 26 24.319 -14.877 0.339 1.00 64.74 O ATOM 251 H GLU A 26 23.275 -12.524 2.459 1.00 0.00 H ATOM 252 N GLY A 27 22.623 -9.447 2.827 1.00 41.79 N ATOM 253 CA GLY A 27 21.818 -8.259 2.732 1.00 39.74 C ATOM 254 C GLY A 27 20.875 -8.229 1.554 1.00 43.34 C ATOM 255 O GLY A 27 20.426 -7.140 1.166 1.00 41.53 O ATOM 256 H GLY A 27 22.279 -10.266 3.368 1.00 0.00 H ATOM 257 N PHE A 28 20.505 -9.403 0.993 1.00 46.12 N ATOM 258 CA PHE A 28 19.541 -9.433 -0.091 1.00 45.31 C ATOM 259 C PHE A 28 18.163 -9.171 0.484 1.00 43.62 C ATOM 260 O PHE A 28 17.676 -9.932 1.333 1.00 42.85 O ATOM 261 CB PHE A 28 19.611 -10.766 -0.835 1.00 46.72 C ATOM 262 CG PHE A 28 20.967 -11.045 -1.456 1.00 49.13 C ATOM 263 CD1 PHE A 28 21.910 -10.033 -1.559 1.00 51.39 C ATOM 264 CD2 PHE A 28 21.293 -12.306 -1.963 1.00 49.59 C ATOM 265 CE1 PHE A 28 23.166 -10.254 -2.133 1.00 56.07 C ATOM 266 CE2 PHE A 28 22.558 -12.532 -2.557 1.00 52.03 C ATOM 267 CZ PHE A 28 23.489 -11.501 -2.634 1.00 53.02 C ATOM 268 H PHE A 28 20.915 -10.293 1.342 1.00 0.00 H ATOM 269 N THR A 29 17.568 -8.089 0.065 1.00 36.37 N ATOM 270 CA THR A 29 16.307 -7.667 0.565 1.00 33.30 C ATOM 271 C THR A 29 15.069 -8.149 -0.148 1.00 33.55 C ATOM 272 O THR A 29 14.008 -8.128 0.407 1.00 33.72 O ATOM 273 CB THR A 29 16.313 -6.144 0.600 1.00 36.48 C ATOM 274 OG1 THR A 29 16.542 -5.640 -0.702 1.00 32.46 O ATOM 275 CG2 THR A 29 17.412 -5.691 1.443 1.00 34.55 C ATOM 276 HG1 THR A 29 15.823 -5.953 -1.307 1.00 0.00 H ATOM 277 H THR A 29 18.035 -7.512 -0.664 1.00 0.00 H ATOM 278 N HIS A 30 15.208 -8.578 -1.379 1.00 32.89 N ATOM 279 CA HIS A 30 14.075 -9.001 -2.145 1.00 30.12 C ATOM 280 C HIS A 30 14.140 -10.346 -2.742 1.00 29.11 C ATOM 281 O HIS A 30 15.177 -10.812 -3.073 1.00 32.68 O ATOM 282 CB HIS A 30 13.957 -8.090 -3.353 1.00 29.54 C ATOM 283 CG HIS A 30 13.631 -6.679 -3.031 1.00 33.56 C ATOM 284 ND1 HIS A 30 14.581 -5.771 -2.661 1.00 32.94 N ATOM 285 CD2 HIS A 30 12.465 -6.013 -3.041 1.00 32.76 C ATOM 286 CE1 HIS A 30 14.015 -4.614 -2.432 1.00 31.90 C ATOM 287 NE2 HIS A 30 12.731 -4.734 -2.655 1.00 35.35 N ATOM 288 H HIS A 30 16.156 -8.612 -1.806 1.00 0.00 H ATOM 289 N ASP A 31 12.985 -10.938 -2.929 1.00 29.86 N ATOM 290 CA ASP A 31 12.872 -12.175 -3.684 1.00 27.89 C ATOM 291 C ASP A 31 12.090 -11.811 -4.936 1.00 30.95 C ATOM 292 O ASP A 31 11.052 -11.155 -4.854 1.00 23.43 O ATOM 293 CB ASP A 31 12.127 -13.238 -2.878 1.00 26.88 C ATOM 294 CG ASP A 31 13.015 -13.925 -1.860 1.00 41.03 C ATOM 295 OD1 ASP A 31 12.760 -15.107 -1.548 1.00 37.32 O ATOM 296 OD2 ASP A 31 13.968 -13.283 -1.371 1.00 43.52 O ATOM 297 H ASP A 31 12.127 -10.511 -2.526 1.00 0.00 H ATOM 298 N TRP A 32 12.588 -12.221 -6.096 1.00 25.91 N ATOM 299 CA TRP A 32 11.937 -11.887 -7.337 1.00 24.04 C ATOM 300 C TRP A 32 11.935 -13.107 -8.228 1.00 26.21 C ATOM 301 O TRP A 32 12.633 -14.086 -7.992 1.00 28.69 O ATOM 302 CB TRP A 32 12.574 -10.657 -8.009 1.00 21.49 C ATOM 303 CG TRP A 32 14.074 -10.660 -8.253 1.00 24.17 C ATOM 304 CD1 TRP A 32 15.007 -9.956 -7.560 1.00 24.00 C ATOM 305 CD2 TRP A 32 14.784 -11.328 -9.315 1.00 28.38 C ATOM 306 NE1 TRP A 32 16.261 -10.161 -8.088 1.00 25.79 N ATOM 307 CE2 TRP A 32 16.153 -10.996 -9.173 1.00 31.32 C ATOM 308 CE3 TRP A 32 14.398 -12.181 -10.362 1.00 28.69 C ATOM 309 CZ2 TRP A 32 17.137 -11.484 -10.041 1.00 32.36 C ATOM 310 CZ3 TRP A 32 15.384 -12.674 -11.233 1.00 27.04 C ATOM 311 CH2 TRP A 32 16.728 -12.322 -11.066 1.00 30.08 C ATOM 312 HE1 TRP A 32 17.145 -9.751 -7.725 1.00 0.00 H ATOM 313 H TRP A 32 13.458 -12.790 -6.109 1.00 0.00 H ATOM 314 N MET A 33 11.111 -13.019 -9.264 1.00 29.59 N ATOM 315 CA MET A 33 10.888 -14.109 -10.198 1.00 27.09 C ATOM 316 C MET A 33 10.642 -13.446 -11.542 1.00 32.36 C ATOM 317 O MET A 33 9.766 -12.578 -11.633 1.00 29.43 O ATOM 318 CB MET A 33 9.681 -14.938 -9.760 1.00 24.88 C ATOM 319 CG MET A 33 9.389 -16.147 -10.643 1.00 34.85 C ATOM 320 SD MET A 33 8.351 -15.820 -12.102 1.00 35.41 S ATOM 321 CE MET A 33 6.800 -15.620 -11.258 1.00 31.87 C ATOM 322 H MET A 33 10.600 -12.126 -9.415 1.00 0.00 H ATOM 323 N VAL A 34 11.387 -13.843 -12.574 1.00 30.40 N ATOM 324 CA VAL A 34 11.213 -13.268 -13.903 1.00 27.33 C ATOM 325 C VAL A 34 10.866 -14.394 -14.872 1.00 29.49 C ATOM 326 O VAL A 34 11.348 -15.521 -14.712 1.00 26.35 O ATOM 327 CB VAL A 34 12.471 -12.491 -14.353 1.00 27.12 C ATOM 328 CG1 VAL A 34 13.631 -13.448 -14.653 1.00 28.80 C ATOM 329 CG2 VAL A 34 12.156 -11.629 -15.535 1.00 21.41 C ATOM 330 H VAL A 34 12.108 -14.578 -12.428 1.00 0.00 H ATOM 331 N PHE A 35 10.003 -14.106 -15.858 1.00 25.98 N ATOM 332 CA PHE A 35 9.483 -15.187 -16.685 1.00 26.73 C ATOM 333 C PHE A 35 9.158 -14.722 -18.092 1.00 27.24 C ATOM 334 O PHE A 35 8.850 -13.553 -18.338 1.00 24.38 O ATOM 335 CB PHE A 35 8.222 -15.785 -16.100 1.00 26.35 C ATOM 336 CG PHE A 35 7.097 -14.794 -15.988 1.00 32.98 C ATOM 337 CD1 PHE A 35 6.242 -14.558 -17.079 1.00 29.71 C ATOM 338 CD2 PHE A 35 6.885 -14.100 -14.790 1.00 24.17 C ATOM 339 CE1 PHE A 35 5.200 -13.661 -16.965 1.00 28.32 C ATOM 340 CE2 PHE A 35 5.858 -13.199 -14.666 1.00 24.42 C ATOM 341 CZ PHE A 35 5.010 -12.975 -15.752 1.00 29.82 C ATOM 342 H PHE A 35 9.709 -13.123 -16.030 1.00 0.00 H ATOM 343 N VAL A 36 9.151 -15.698 -18.993 1.00 28.61 N ATOM 344 CA VAL A 36 8.615 -15.566 -20.341 1.00 29.12 C ATOM 345 C VAL A 36 7.593 -16.672 -20.551 1.00 30.08 C ATOM 346 O VAL A 36 7.852 -17.829 -20.203 1.00 26.40 O ATOM 347 CB VAL A 36 9.723 -15.678 -21.394 1.00 26.10 C ATOM 348 CG1 VAL A 36 9.084 -15.817 -22.760 1.00 27.68 C ATOM 349 CG2 VAL A 36 10.670 -14.501 -21.280 1.00 25.48 C ATOM 350 H VAL A 36 9.555 -16.616 -18.718 1.00 0.00 H ATOM 351 N ARG A 37 6.436 -16.332 -21.112 1.00 33.34 N ATOM 352 CA ARG A 37 5.373 -17.311 -21.301 1.00 32.26 C ATOM 353 C ARG A 37 4.476 -16.833 -22.433 1.00 34.79 C ATOM 354 O ARG A 37 4.729 -15.802 -23.056 1.00 35.24 O ATOM 355 CB ARG A 37 4.572 -17.483 -20.020 1.00 27.66 C ATOM 356 CG ARG A 37 3.859 -16.216 -19.687 1.00 31.63 C ATOM 357 CD ARG A 37 3.117 -16.334 -18.391 1.00 34.45 C ATOM 358 NE ARG A 37 2.300 -15.147 -18.108 1.00 38.16 N ATOM 359 CZ ARG A 37 1.828 -14.836 -16.898 1.00 39.63 C ATOM 360 NH1 ARG A 37 1.094 -13.735 -16.749 1.00 42.39 N ATOM 361 NH2 ARG A 37 2.107 -15.610 -15.840 1.00 32.08 N ATOM 362 HE ARG A 37 2.075 -14.509 -18.898 1.00 0.00 H ATOM 363 HH12 ARG A 37 0.721 -13.482 -15.812 1.00 0.00 H ATOM 364 HH11 ARG A 37 0.894 -13.128 -17.570 1.00 0.00 H ATOM 365 HH22 ARG A 37 1.736 -15.361 -14.901 1.00 0.00 H ATOM 366 HH21 ARG A 37 2.695 -16.460 -15.958 1.00 0.00 H ATOM 367 H ARG A 37 6.287 -15.350 -21.421 1.00 0.00 H ATOM 368 N GLY A 38 3.405 -17.567 -22.684 1.00 34.28 N ATOM 369 CA GLY A 38 2.434 -17.136 -23.654 1.00 36.62 C ATOM 370 C GLY A 38 1.177 -16.669 -22.951 1.00 43.16 C ATOM 371 O GLY A 38 0.861 -17.127 -21.853 1.00 39.03 O ATOM 372 H GLY A 38 3.264 -18.463 -22.176 1.00 0.00 H ATOM 373 N PRO A 39 0.419 -15.765 -23.567 1.00 51.91 N ATOM 374 CA PRO A 39 -0.828 -15.332 -22.934 1.00 50.77 C ATOM 375 C PRO A 39 -1.774 -16.513 -22.808 1.00 47.90 C ATOM 376 O PRO A 39 -1.643 -17.512 -23.508 1.00 50.30 O ATOM 377 CB PRO A 39 -1.367 -14.271 -23.896 1.00 48.45 C ATOM 378 CG PRO A 39 -0.833 -14.694 -25.221 1.00 49.02 C ATOM 379 CD PRO A 39 0.531 -15.279 -24.955 1.00 44.16 C ATOM 380 N GLU A 40 -2.714 -16.393 -21.878 1.00 50.70 N ATOM 381 CA GLU A 40 -3.746 -17.400 -21.620 1.00 59.08 C ATOM 382 C GLU A 40 -3.186 -18.826 -21.617 1.00 61.43 C ATOM 383 O GLU A 40 -3.748 -19.751 -22.212 1.00 64.67 O ATOM 384 CB GLU A 40 -4.905 -17.264 -22.608 1.00 57.08 C ATOM 385 CG GLU A 40 -5.905 -16.126 -22.282 1.00 62.21 C ATOM 386 CD GLU A 40 -6.482 -16.143 -20.832 1.00 78.22 C ATOM 387 OE1 GLU A 40 -7.025 -15.097 -20.394 1.00 80.29 O ATOM 388 OE2 GLU A 40 -6.410 -17.181 -20.121 1.00 83.35 O ATOM 389 H GLU A 40 -2.718 -15.531 -21.297 1.00 0.00 H ATOM 390 N HIS A 41 -2.060 -18.997 -20.921 1.00 62.29 N ATOM 391 CA HIS A 41 -1.459 -20.314 -20.704 1.00 62.22 C ATOM 392 C HIS A 41 -1.235 -21.069 -22.021 1.00 63.50 C ATOM 393 O HIS A 41 -1.210 -22.300 -22.046 1.00 65.11 O ATOM 394 CB HIS A 41 -2.308 -21.166 -19.754 1.00 68.83 C ATOM 395 CG HIS A 41 -2.771 -20.454 -18.513 1.00 82.95 C ATOM 396 ND1 HIS A 41 -3.760 -19.492 -18.526 1.00 82.90 N ATOM 397 CD2 HIS A 41 -2.413 -20.603 -17.214 1.00 78.99 C ATOM 398 CE1 HIS A 41 -3.970 -19.060 -17.294 1.00 82.51 C ATOM 399 NE2 HIS A 41 -3.166 -19.719 -16.479 1.00 82.97 N ATOM 400 H HIS A 41 -1.591 -18.161 -20.517 1.00 0.00 H ATOM 401 N SER A 42 -1.094 -20.347 -23.132 1.00 51.47 N ATOM 402 CA SER A 42 -0.757 -20.984 -24.397 1.00 47.18 C ATOM 403 C SER A 42 0.639 -21.594 -24.335 1.00 46.49 C ATOM 404 O SER A 42 1.498 -21.162 -23.565 1.00 47.38 O ATOM 405 CB SER A 42 -0.830 -19.980 -25.536 1.00 49.60 C ATOM 406 OG SER A 42 -0.014 -18.855 -25.251 1.00 48.79 O ATOM 407 HG SER A 42 -0.328 -18.423 -24.417 1.00 0.00 H ATOM 408 H SER A 42 -1.226 -19.316 -23.095 1.00 0.00 H ATOM 409 N ASN A 43 0.871 -22.610 -25.156 1.00 46.42 N ATOM 410 CA ASN A 43 2.115 -23.372 -25.098 1.00 45.30 C ATOM 411 C ASN A 43 3.052 -22.862 -26.183 1.00 44.88 C ATOM 412 O ASN A 43 2.909 -23.219 -27.351 1.00 49.81 O ATOM 413 CB ASN A 43 1.866 -24.869 -25.253 1.00 50.75 C ATOM 414 CG ASN A 43 3.170 -25.657 -25.464 1.00 55.65 C ATOM 415 OD1 ASN A 43 3.691 -25.721 -26.583 1.00 61.89 O ATOM 416 ND2 ASN A 43 3.709 -26.238 -24.390 1.00 53.30 N ATOM 417 HD22 ASN A 43 3.239 -26.160 -23.466 1.00 0.00 H ATOM 418 HD21 ASN A 43 4.599 -26.768 -24.477 1.00 0.00 H ATOM 419 H ASN A 43 0.149 -22.870 -25.858 1.00 0.00 H ATOM 420 N ILE A 44 4.022 -22.028 -25.787 1.00 36.41 N ATOM 421 CA ILE A 44 5.011 -21.488 -26.714 1.00 37.92 C ATOM 422 C ILE A 44 6.185 -22.426 -26.937 1.00 41.30 C ATOM 423 O ILE A 44 6.984 -22.207 -27.869 1.00 35.53 O ATOM 424 CB ILE A 44 5.512 -20.122 -26.211 1.00 36.33 C ATOM 425 CG1 ILE A 44 6.313 -20.297 -24.930 1.00 33.51 C ATOM 426 CG2 ILE A 44 4.341 -19.236 -25.950 1.00 33.89 C ATOM 427 CD1 ILE A 44 6.767 -18.981 -24.298 1.00 33.60 C ATOM 428 H ILE A 44 4.072 -21.756 -24.784 1.00 0.00 H ATOM 429 N GLN A 45 6.309 -23.478 -26.127 1.00 41.95 N ATOM 430 CA GLN A 45 7.334 -24.476 -26.378 1.00 40.65 C ATOM 431 C GLN A 45 7.238 -25.053 -27.788 1.00 42.83 C ATOM 432 O GLN A 45 8.256 -25.490 -28.337 1.00 43.73 O ATOM 433 CB GLN A 45 7.227 -25.584 -25.345 1.00 42.60 C ATOM 434 CG GLN A 45 8.169 -26.735 -25.595 1.00 43.80 C ATOM 435 CD GLN A 45 8.146 -27.739 -24.465 1.00 47.16 C ATOM 436 OE1 GLN A 45 7.137 -27.879 -23.751 1.00 47.95 O ATOM 437 NE2 GLN A 45 9.259 -28.434 -24.280 1.00 38.71 N ATOM 438 HE22 GLN A 45 10.077 -28.281 -24.904 1.00 0.00 H ATOM 439 HE21 GLN A 45 9.314 -29.132 -23.511 1.00 0.00 H ATOM 440 H GLN A 45 5.670 -23.584 -25.313 1.00 0.00 H ATOM 441 N HIS A 46 6.043 -25.055 -28.397 1.00 42.00 N ATOM 442 CA HIS A 46 5.929 -25.476 -29.802 1.00 47.96 C ATOM 443 C HIS A 46 6.977 -24.813 -30.680 1.00 38.26 C ATOM 444 O HIS A 46 7.630 -25.478 -31.477 1.00 45.50 O ATOM 445 CB HIS A 46 4.533 -25.188 -30.352 1.00 46.36 C ATOM 446 CG HIS A 46 3.489 -26.121 -29.827 1.00 48.20 C ATOM 447 ND1 HIS A 46 2.331 -25.682 -29.220 1.00 52.49 N ATOM 448 CD2 HIS A 46 3.441 -27.474 -29.793 1.00 47.73 C ATOM 449 CE1 HIS A 46 1.614 -26.723 -28.834 1.00 51.59 C ATOM 450 NE2 HIS A 46 2.266 -27.823 -29.168 1.00 50.21 N ATOM 451 H HIS A 46 5.194 -24.758 -27.874 1.00 0.00 H ATOM 452 N PHE A 47 7.201 -23.530 -30.518 1.00 34.79 N ATOM 453 CA PHE A 47 8.190 -22.873 -31.348 1.00 37.08 C ATOM 454 C PHE A 47 9.366 -22.304 -30.607 1.00 38.59 C ATOM 455 O PHE A 47 10.221 -21.688 -31.249 1.00 43.50 O ATOM 456 CB PHE A 47 7.567 -21.724 -32.130 1.00 44.09 C ATOM 457 CG PHE A 47 6.946 -20.664 -31.274 1.00 38.68 C ATOM 458 CD1 PHE A 47 7.631 -19.496 -30.985 1.00 34.79 C ATOM 459 CD2 PHE A 47 5.644 -20.821 -30.794 1.00 42.74 C ATOM 460 CE1 PHE A 47 7.032 -18.496 -30.224 1.00 35.15 C ATOM 461 CE2 PHE A 47 5.040 -19.842 -30.020 1.00 40.17 C ATOM 462 CZ PHE A 47 5.737 -18.669 -29.736 1.00 42.69 C ATOM 463 H PHE A 47 6.674 -22.991 -29.802 1.00 0.00 H ATOM 464 N VAL A 48 9.412 -22.422 -29.286 1.00 40.69 N ATOM 465 CA VAL A 48 10.490 -21.848 -28.504 1.00 37.44 C ATOM 466 C VAL A 48 11.484 -22.941 -28.178 1.00 38.26 C ATOM 467 O VAL A 48 11.123 -23.962 -27.578 1.00 37.90 O ATOM 468 CB VAL A 48 9.964 -21.177 -27.236 1.00 37.10 C ATOM 469 CG1 VAL A 48 11.113 -20.895 -26.307 1.00 32.73 C ATOM 470 CG2 VAL A 48 9.282 -19.895 -27.623 1.00 35.65 C ATOM 471 H VAL A 48 8.654 -22.940 -28.798 1.00 0.00 H ATOM 472 N GLU A 49 12.734 -22.726 -28.590 1.00 37.18 N ATOM 473 CA GLU A 49 13.822 -23.629 -28.252 1.00 44.68 C ATOM 474 C GLU A 49 14.237 -23.463 -26.787 1.00 43.47 C ATOM 475 O GLU A 49 13.974 -24.332 -25.952 1.00 39.58 O ATOM 476 CB GLU A 49 15.018 -23.385 -29.179 1.00 46.61 C ATOM 477 CG GLU A 49 16.204 -24.344 -28.935 1.00 53.98 C ATOM 478 CD GLU A 49 17.504 -23.900 -29.606 1.00 60.24 C ATOM 479 OE1 GLU A 49 18.586 -24.162 -29.013 1.00 60.72 O ATOM 480 OE2 GLU A 49 17.444 -23.295 -30.712 1.00 64.94 O ATOM 481 H GLU A 49 12.937 -21.887 -29.170 1.00 0.00 H ATOM 482 N LYS A 50 14.890 -22.356 -26.461 1.00 43.20 N ATOM 483 CA LYS A 50 15.323 -22.106 -25.102 1.00 43.32 C ATOM 484 C LYS A 50 15.183 -20.622 -24.850 1.00 44.03 C ATOM 485 O LYS A 50 15.192 -19.815 -25.785 1.00 40.00 O ATOM 486 CB LYS A 50 16.779 -22.535 -24.877 1.00 46.42 C ATOM 487 CG LYS A 50 17.747 -21.711 -25.706 1.00 43.93 C ATOM 488 CD LYS A 50 19.072 -22.403 -25.897 1.00 49.74 C ATOM 489 CE LYS A 50 19.998 -21.549 -26.756 1.00 50.06 C ATOM 490 NZ LYS A 50 21.400 -21.938 -26.456 1.00 62.81 N ATOM 491 HZ1 LYS A 50 21.596 -21.775 -25.448 1.00 0.00 H ATOM 492 HZ2 LYS A 50 21.534 -22.945 -26.678 1.00 0.00 H ATOM 493 HZ3 LYS A 50 22.048 -21.365 -27.033 1.00 0.00 H ATOM 494 H LYS A 50 15.096 -21.652 -27.198 1.00 0.00 H ATOM 495 N VAL A 51 15.058 -20.276 -23.571 1.00 39.32 N ATOM 496 CA VAL A 51 15.066 -18.895 -23.120 1.00 36.77 C ATOM 497 C VAL A 51 16.300 -18.699 -22.260 1.00 37.86 C ATOM 498 O VAL A 51 16.556 -19.478 -21.329 1.00 34.45 O ATOM 499 CB VAL A 51 13.794 -18.536 -22.334 1.00 34.36 C ATOM 500 CG1 VAL A 51 13.906 -17.121 -21.760 1.00 28.12 C ATOM 501 CG2 VAL A 51 12.545 -18.700 -23.211 1.00 29.32 C ATOM 502 H VAL A 51 14.950 -21.029 -22.862 1.00 0.00 H ATOM 503 N VAL A 52 17.068 -17.668 -22.581 1.00 36.23 N ATOM 504 CA VAL A 52 18.270 -17.332 -21.847 1.00 36.12 C ATOM 505 C VAL A 52 18.001 -16.017 -21.174 1.00 33.87 C ATOM 506 O VAL A 52 17.747 -15.020 -21.857 1.00 37.50 O ATOM 507 CB VAL A 52 19.494 -17.210 -22.758 1.00 41.64 C ATOM 508 CG1 VAL A 52 20.700 -17.076 -21.918 1.00 39.48 C ATOM 509 CG2 VAL A 52 19.601 -18.406 -23.674 1.00 45.48 C ATOM 510 H VAL A 52 16.797 -17.077 -23.392 1.00 0.00 H ATOM 511 N PHE A 53 17.999 -16.029 -19.844 1.00 37.34 N ATOM 512 CA PHE A 53 18.037 -14.821 -19.026 1.00 36.25 C ATOM 513 C PHE A 53 19.488 -14.512 -18.688 1.00 38.04 C ATOM 514 O PHE A 53 20.208 -15.366 -18.152 1.00 35.12 O ATOM 515 CB PHE A 53 17.231 -15.005 -17.741 1.00 29.79 C ATOM 516 CG PHE A 53 15.811 -15.415 -17.979 1.00 30.75 C ATOM 517 CD1 PHE A 53 15.491 -16.733 -18.205 1.00 26.45 C ATOM 518 CD2 PHE A 53 14.794 -14.472 -17.989 1.00 30.37 C ATOM 519 CE1 PHE A 53 14.192 -17.114 -18.411 1.00 26.13 C ATOM 520 CE2 PHE A 53 13.480 -14.851 -18.204 1.00 27.51 C ATOM 521 CZ PHE A 53 13.183 -16.176 -18.417 1.00 27.06 C ATOM 522 H PHE A 53 17.969 -16.949 -19.361 1.00 0.00 H ATOM 523 N HIS A 54 19.911 -13.295 -19.022 1.00 35.37 N ATOM 524 CA HIS A 54 21.254 -12.805 -18.746 1.00 40.87 C ATOM 525 C HIS A 54 21.204 -11.968 -17.471 1.00 41.56 C ATOM 526 O HIS A 54 20.937 -10.758 -17.511 1.00 39.06 O ATOM 527 CB HIS A 54 21.782 -12.003 -19.930 1.00 45.75 C ATOM 528 CG HIS A 54 21.989 -12.827 -21.160 1.00 45.91 C ATOM 529 ND1 HIS A 54 22.623 -14.051 -21.128 1.00 47.61 N ATOM 530 CD2 HIS A 54 21.612 -12.629 -22.446 1.00 49.63 C ATOM 531 CE1 HIS A 54 22.645 -14.563 -22.345 1.00 51.59 C ATOM 532 NE2 HIS A 54 22.032 -13.725 -23.163 1.00 54.30 N ATOM 533 H HIS A 54 19.246 -12.659 -19.507 1.00 0.00 H ATOM 534 N LEU A 55 21.480 -12.613 -16.332 1.00 41.29 N ATOM 535 CA LEU A 55 21.493 -11.885 -15.067 1.00 44.06 C ATOM 536 C LEU A 55 22.674 -10.916 -15.020 1.00 49.35 C ATOM 537 O LEU A 55 23.503 -10.842 -15.935 1.00 50.81 O ATOM 538 CB LEU A 55 21.536 -12.841 -13.876 1.00 38.68 C ATOM 539 CG LEU A 55 20.321 -13.775 -13.823 1.00 40.89 C ATOM 540 CD1 LEU A 55 20.019 -14.372 -12.450 1.00 42.49 C ATOM 541 CD2 LEU A 55 19.112 -13.040 -14.360 1.00 38.41 C ATOM 542 H LEU A 55 21.685 -13.632 -16.348 1.00 0.00 H ATOM 543 N HIS A 56 22.707 -10.122 -13.956 1.00 47.44 N ATOM 544 CA HIS A 56 23.793 -9.180 -13.728 1.00 49.35 C ATOM 545 C HIS A 56 24.973 -9.942 -13.135 1.00 53.10 C ATOM 546 O HIS A 56 24.792 -10.923 -12.397 1.00 54.29 O ATOM 547 CB HIS A 56 23.289 -8.066 -12.797 1.00 49.66 C ATOM 548 CG HIS A 56 24.258 -6.947 -12.540 1.00 53.26 C ATOM 549 ND1 HIS A 56 25.222 -7.009 -11.553 1.00 52.36 N ATOM 550 CD2 HIS A 56 24.356 -5.707 -13.081 1.00 55.75 C ATOM 551 CE1 HIS A 56 25.896 -5.871 -11.523 1.00 54.11 C ATOM 552 NE2 HIS A 56 25.389 -5.062 -12.437 1.00 56.24 N ATOM 553 H HIS A 56 21.933 -10.175 -13.264 1.00 0.00 H ATOM 554 N GLU A 57 26.152 -9.542 -13.549 1.00 53.32 N ATOM 555 CA GLU A 57 27.353 -10.203 -13.158 1.00 59.89 C ATOM 556 C GLU A 57 27.424 -10.618 -11.724 1.00 62.89 C ATOM 557 O GLU A 57 28.020 -11.624 -11.404 1.00 63.16 O ATOM 558 CB GLU A 57 28.546 -9.336 -13.465 1.00 66.26 C ATOM 559 CG GLU A 57 29.834 -10.054 -13.145 1.00 78.18 C ATOM 560 CD GLU A 57 29.958 -11.388 -13.856 1.00 81.29 C ATOM 561 OE1 GLU A 57 30.480 -11.399 -14.991 1.00 75.75 O ATOM 562 OE2 GLU A 57 29.548 -12.415 -13.278 1.00 83.55 O ATOM 563 H GLU A 57 26.212 -8.718 -14.181 1.00 0.00 H ATOM 564 N SER A 58 26.821 -9.850 -10.846 1.00 58.14 N ATOM 565 CA SER A 58 26.941 -10.210 -9.434 1.00 58.12 C ATOM 566 C SER A 58 26.252 -11.523 -9.079 1.00 54.63 C ATOM 567 O SER A 58 26.412 -12.003 -7.955 1.00 59.18 O ATOM 568 CB SER A 58 26.376 -9.105 -8.566 1.00 58.02 C ATOM 569 OG SER A 58 25.108 -8.731 -9.066 1.00 56.08 O ATOM 570 HG SER A 58 25.204 -8.409 -9.997 1.00 0.00 H ATOM 571 H SER A 58 26.277 -9.015 -11.144 1.00 0.00 H ATOM 572 N PHE A 59 25.526 -12.099 -9.968 1.00 54.35 N ATOM 573 CA PHE A 59 24.981 -13.388 -9.575 1.00 54.51 C ATOM 574 C PHE A 59 25.915 -14.520 -9.999 1.00 56.88 C ATOM 575 O PHE A 59 26.604 -14.426 -11.024 1.00 57.41 O ATOM 576 CB PHE A 59 23.604 -13.613 -10.213 1.00 52.98 C ATOM 577 CG PHE A 59 22.516 -12.699 -9.699 1.00 46.08 C ATOM 578 CD1 PHE A 59 21.703 -13.090 -8.648 1.00 41.93 C ATOM 579 CD2 PHE A 59 22.290 -11.460 -10.297 1.00 43.39 C ATOM 580 CE1 PHE A 59 20.695 -12.263 -8.184 1.00 42.02 C ATOM 581 CE2 PHE A 59 21.289 -10.624 -9.842 1.00 40.64 C ATOM 582 CZ PHE A 59 20.487 -11.032 -8.781 1.00 41.44 C ATOM 583 H PHE A 59 25.342 -11.675 -10.900 1.00 0.00 H ATOM 584 N PRO A 60 25.895 -15.591 -9.259 1.00 60.61 N ATOM 585 CA PRO A 60 26.711 -16.728 -9.605 1.00 60.42 C ATOM 586 C PRO A 60 26.187 -17.303 -10.868 1.00 59.18 C ATOM 587 O PRO A 60 25.020 -17.545 -10.908 1.00 61.25 O ATOM 588 CB PRO A 60 26.419 -17.704 -8.486 1.00 63.18 C ATOM 589 CG PRO A 60 25.101 -17.316 -7.982 1.00 61.45 C ATOM 590 CD PRO A 60 25.067 -15.840 -8.080 1.00 56.58 C ATOM 591 N ARG A 61 27.017 -17.525 -11.871 1.00 62.05 N ATOM 592 CA ARG A 61 26.542 -18.122 -13.113 1.00 59.28 C ATOM 593 C ARG A 61 25.303 -17.339 -13.524 1.00 56.10 C ATOM 594 O ARG A 61 24.175 -17.777 -13.301 1.00 56.15 O ATOM 595 CB ARG A 61 26.199 -19.597 -12.910 1.00 67.09 C ATOM 596 CG ARG A 61 27.252 -20.378 -12.141 1.00 79.33 C ATOM 597 CD ARG A 61 26.705 -21.712 -11.657 1.00 85.93 C ATOM 598 NE ARG A 61 27.742 -22.738 -11.597 1.00 89.48 N ATOM 599 CZ ARG A 61 27.931 -23.664 -12.532 1.00 91.53 C ATOM 600 NH1 ARG A 61 28.899 -24.559 -12.395 1.00 88.05 N ATOM 601 NH2 ARG A 61 27.152 -23.695 -13.605 1.00 85.11 N ATOM 602 HE ARG A 61 28.373 -22.745 -10.770 1.00 0.00 H ATOM 603 HH12 ARG A 61 29.046 -25.283 -13.127 1.00 0.00 H ATOM 604 HH11 ARG A 61 29.512 -24.538 -11.555 1.00 0.00 H ATOM 605 HH22 ARG A 61 27.301 -24.420 -14.335 1.00 0.00 H ATOM 606 HH21 ARG A 61 26.392 -22.994 -13.716 1.00 0.00 H ATOM 607 H ARG A 61 28.021 -17.271 -11.774 1.00 0.00 H ATOM 608 N PRO A 62 25.524 -16.170 -14.116 1.00 51.30 N ATOM 609 CA PRO A 62 24.423 -15.285 -14.526 1.00 51.85 C ATOM 610 C PRO A 62 23.618 -15.787 -15.723 1.00 56.58 C ATOM 611 O PRO A 62 22.399 -15.560 -15.766 1.00 54.43 O ATOM 612 CB PRO A 62 25.132 -13.958 -14.840 1.00 52.73 C ATOM 613 CG PRO A 62 26.550 -14.293 -15.011 1.00 47.62 C ATOM 614 CD PRO A 62 26.815 -15.467 -14.128 1.00 56.05 C ATOM 615 N LYS A 63 24.248 -16.454 -16.696 1.00 61.36 N ATOM 616 CA LYS A 63 23.540 -17.009 -17.847 1.00 50.40 C ATOM 617 C LYS A 63 22.632 -18.134 -17.366 1.00 48.39 C ATOM 618 O LYS A 63 23.066 -19.275 -17.212 1.00 57.27 O ATOM 619 CB LYS A 63 24.533 -17.502 -18.895 1.00 54.63 C ATOM 620 CG LYS A 63 24.062 -17.323 -20.351 1.00 61.78 C ATOM 621 CD LYS A 63 25.002 -17.998 -21.397 1.00 69.93 C ATOM 622 CE LYS A 63 24.797 -19.531 -21.486 1.00 66.99 C ATOM 623 NZ LYS A 63 25.909 -20.319 -22.119 1.00 66.60 N ATOM 624 HZ1 LYS A 63 26.051 -19.993 -23.096 1.00 0.00 H ATOM 625 HZ2 LYS A 63 26.784 -20.179 -21.575 1.00 0.00 H ATOM 626 HZ3 LYS A 63 25.659 -21.328 -22.122 1.00 0.00 H ATOM 627 H LYS A 63 25.278 -16.582 -16.631 1.00 0.00 H ATOM 628 N ARG A 64 21.363 -17.818 -17.124 1.00 47.30 N ATOM 629 CA ARG A 64 20.372 -18.803 -16.705 1.00 45.73 C ATOM 630 C ARG A 64 19.565 -19.229 -17.923 1.00 49.52 C ATOM 631 O ARG A 64 19.009 -18.387 -18.649 1.00 41.81 O ATOM 632 CB ARG A 64 19.460 -18.240 -15.620 1.00 39.11 C ATOM 633 CG ARG A 64 20.217 -17.657 -14.484 1.00 41.03 C ATOM 634 CD ARG A 64 20.883 -18.725 -13.684 1.00 43.36 C ATOM 635 NE ARG A 64 21.708 -18.089 -12.681 1.00 48.76 N ATOM 636 CZ ARG A 64 21.317 -17.795 -11.447 1.00 45.24 C ATOM 637 NH1 ARG A 64 22.167 -17.197 -10.633 1.00 46.61 N ATOM 638 NH2 ARG A 64 20.106 -18.116 -11.009 1.00 41.06 N ATOM 639 HE ARG A 64 22.683 -17.843 -12.947 1.00 0.00 H ATOM 640 HH12 ARG A 64 21.878 -16.959 -9.663 1.00 0.00 H ATOM 641 HH11 ARG A 64 23.126 -16.964 -10.962 1.00 0.00 H ATOM 642 HH22 ARG A 64 19.823 -17.875 -10.038 1.00 0.00 H ATOM 643 HH21 ARG A 64 19.440 -18.609 -11.637 1.00 0.00 H ATOM 644 H ARG A 64 21.065 -16.828 -17.238 1.00 0.00 H ATOM 645 N VAL A 65 19.517 -20.531 -18.158 1.00 53.11 N ATOM 646 CA VAL A 65 19.024 -21.076 -19.412 1.00 43.64 C ATOM 647 C VAL A 65 17.901 -22.026 -19.063 1.00 46.84 C ATOM 648 O VAL A 65 18.085 -22.922 -18.236 1.00 41.42 O ATOM 649 CB VAL A 65 20.141 -21.785 -20.187 1.00 44.20 C ATOM 650 CG1 VAL A 65 19.545 -22.688 -21.254 1.00 56.58 C ATOM 651 CG2 VAL A 65 21.089 -20.755 -20.784 1.00 46.22 C ATOM 652 H VAL A 65 19.843 -21.187 -17.420 1.00 0.00 H ATOM 653 N CYS A 66 16.718 -21.789 -19.620 1.00 45.71 N ATOM 654 CA CYS A 66 15.594 -22.696 -19.427 1.00 44.38 C ATOM 655 C CYS A 66 15.289 -23.251 -20.806 1.00 48.21 C ATOM 656 O CYS A 66 14.962 -22.497 -21.734 1.00 44.34 O ATOM 657 CB CYS A 66 14.381 -22.018 -18.799 1.00 37.26 C ATOM 658 SG CYS A 66 14.746 -20.967 -17.394 1.00 39.61 S ATOM 659 H CYS A 66 16.592 -20.939 -20.206 1.00 0.00 H ATOM 660 N LYS A 67 15.490 -24.555 -20.949 1.00 46.69 N ATOM 661 CA LYS A 67 15.238 -25.249 -22.195 1.00 46.14 C ATOM 662 C LYS A 67 13.816 -25.768 -22.267 1.00 46.28 C ATOM 663 O LYS A 67 13.319 -26.005 -23.369 1.00 52.15 O ATOM 664 CB LYS A 67 16.237 -26.401 -22.355 1.00 51.40 C ATOM 665 CG LYS A 67 17.696 -25.932 -22.398 1.00 51.57 C ATOM 666 CD LYS A 67 18.694 -27.057 -22.125 1.00 50.44 C ATOM 667 CE LYS A 67 20.145 -26.536 -22.056 1.00 63.63 C ATOM 668 NZ LYS A 67 20.725 -26.099 -23.375 1.00 55.40 N ATOM 669 HZ1 LYS A 67 20.726 -26.903 -24.035 1.00 0.00 H ATOM 670 HZ2 LYS A 67 20.148 -25.328 -23.767 1.00 0.00 H ATOM 671 HZ3 LYS A 67 21.700 -25.766 -23.230 1.00 0.00 H ATOM 672 H LYS A 67 15.842 -25.099 -20.136 1.00 0.00 H ATOM 673 N ASP A 68 13.148 -25.917 -21.129 1.00 42.49 N ATOM 674 CA ASP A 68 11.759 -26.338 -21.054 1.00 42.85 C ATOM 675 C ASP A 68 10.951 -25.348 -20.232 1.00 42.62 C ATOM 676 O ASP A 68 11.486 -24.670 -19.350 1.00 40.05 O ATOM 677 CB ASP A 68 11.615 -27.735 -20.419 1.00 45.43 C ATOM 678 CG ASP A 68 12.478 -28.763 -21.092 1.00 49.98 C ATOM 679 OD1 ASP A 68 12.097 -29.239 -22.196 1.00 50.20 O ATOM 680 OD2 ASP A 68 13.549 -29.078 -20.527 1.00 44.43 O ATOM 681 H ASP A 68 13.648 -25.721 -20.239 1.00 0.00 H ATOM 682 N PRO A 69 9.644 -25.270 -20.472 1.00 38.72 N ATOM 683 CA PRO A 69 8.784 -24.492 -19.585 1.00 35.19 C ATOM 684 C PRO A 69 8.856 -25.077 -18.179 1.00 37.10 C ATOM 685 O PRO A 69 9.099 -26.275 -18.092 1.00 40.22 O ATOM 686 CB PRO A 69 7.389 -24.662 -20.197 1.00 31.90 C ATOM 687 CG PRO A 69 7.494 -25.909 -21.016 1.00 37.62 C ATOM 688 CD PRO A 69 8.885 -25.934 -21.543 1.00 38.17 C ATOM 689 N PRO A 70 8.690 -24.252 -17.122 1.00 34.63 N ATOM 690 CA PRO A 70 8.455 -22.801 -17.197 1.00 29.80 C ATOM 691 C PRO A 70 9.761 -22.053 -17.455 1.00 29.00 C ATOM 692 O PRO A 70 10.810 -22.461 -16.969 1.00 35.26 O ATOM 693 CB PRO A 70 7.870 -22.460 -15.818 1.00 29.47 C ATOM 694 CG PRO A 70 8.544 -23.452 -14.893 1.00 33.06 C ATOM 695 CD PRO A 70 8.912 -24.688 -15.733 1.00 34.36 C ATOM 696 N TYR A 71 9.689 -20.990 -18.250 1.00 30.46 N ATOM 697 CA TYR A 71 10.854 -20.193 -18.622 1.00 30.91 C ATOM 698 C TYR A 71 10.930 -19.075 -17.598 1.00 29.96 C ATOM 699 O TYR A 71 10.340 -18.001 -17.760 1.00 27.32 O ATOM 700 CB TYR A 71 10.733 -19.654 -20.047 1.00 26.83 C ATOM 701 CG TYR A 71 10.473 -20.716 -21.065 1.00 30.25 C ATOM 702 CD1 TYR A 71 11.474 -21.621 -21.432 1.00 35.28 C ATOM 703 CD2 TYR A 71 9.235 -20.832 -21.661 1.00 29.76 C ATOM 704 CE1 TYR A 71 11.238 -22.613 -22.374 1.00 39.26 C ATOM 705 CE2 TYR A 71 8.984 -21.822 -22.607 1.00 34.23 C ATOM 706 CZ TYR A 71 9.979 -22.707 -22.969 1.00 38.47 C ATOM 707 OH TYR A 71 9.715 -23.684 -23.924 1.00 34.70 O ATOM 708 HH TYR A 71 10.527 -24.231 -24.068 1.00 0.00 H ATOM 709 H TYR A 71 8.759 -20.713 -18.624 1.00 0.00 H ATOM 710 N LYS A 72 11.648 -19.337 -16.520 1.00 32.87 N ATOM 711 CA LYS A 72 11.644 -18.400 -15.420 1.00 30.04 C ATOM 712 C LYS A 72 12.878 -18.632 -14.585 1.00 28.19 C ATOM 713 O LYS A 72 13.445 -19.726 -14.564 1.00 31.02 O ATOM 714 CB LYS A 72 10.377 -18.540 -14.584 1.00 30.10 C ATOM 715 CG LYS A 72 10.252 -19.819 -13.818 1.00 31.94 C ATOM 716 CD LYS A 72 9.277 -19.581 -12.694 1.00 30.24 C ATOM 717 CE LYS A 72 8.754 -20.878 -12.152 1.00 34.85 C ATOM 718 NZ LYS A 72 7.589 -20.642 -11.266 1.00 40.23 N ATOM 719 HZ1 LYS A 72 7.877 -20.036 -10.471 1.00 0.00 H ATOM 720 HZ2 LYS A 72 6.834 -20.173 -11.806 1.00 0.00 H ATOM 721 HZ3 LYS A 72 7.242 -21.552 -10.901 1.00 0.00 H ATOM 722 H LYS A 72 12.211 -20.210 -16.464 1.00 0.00 H ATOM 723 N VAL A 73 13.276 -17.568 -13.905 1.00 29.43 N ATOM 724 CA VAL A 73 14.372 -17.567 -12.946 1.00 27.35 C ATOM 725 C VAL A 73 13.864 -16.991 -11.631 1.00 30.15 C ATOM 726 O VAL A 73 13.163 -15.971 -11.618 1.00 29.74 O ATOM 727 CB VAL A 73 15.557 -16.762 -13.492 1.00 27.98 C ATOM 728 CG1 VAL A 73 16.577 -16.585 -12.459 1.00 26.84 C ATOM 729 CG2 VAL A 73 16.123 -17.487 -14.717 1.00 30.59 C ATOM 730 H VAL A 73 12.772 -16.673 -14.067 1.00 0.00 H ATOM 731 N GLU A 74 14.158 -17.670 -10.534 1.00 30.75 N ATOM 732 CA GLU A 74 13.800 -17.180 -9.214 1.00 32.45 C ATOM 733 C GLU A 74 15.080 -16.799 -8.496 1.00 35.59 C ATOM 734 O GLU A 74 15.979 -17.626 -8.338 1.00 37.44 O ATOM 735 CB GLU A 74 13.016 -18.213 -8.412 1.00 29.52 C ATOM 736 CG GLU A 74 11.513 -18.205 -8.676 1.00 33.42 C ATOM 737 CD GLU A 74 10.820 -19.471 -8.130 1.00 42.32 C ATOM 738 OE1 GLU A 74 11.526 -20.459 -7.854 1.00 41.99 O ATOM 739 OE2 GLU A 74 9.577 -19.489 -7.970 1.00 45.16 O ATOM 740 H GLU A 74 14.658 -18.578 -10.619 1.00 0.00 H ATOM 741 N GLU A 75 15.167 -15.557 -8.066 1.00 29.90 N ATOM 742 CA GLU A 75 16.361 -15.129 -7.379 1.00 34.70 C ATOM 743 C GLU A 75 16.005 -14.336 -6.126 1.00 34.58 C ATOM 744 O GLU A 75 14.834 -14.000 -5.872 1.00 29.35 O ATOM 745 CB GLU A 75 17.253 -14.317 -8.324 1.00 33.06 C ATOM 746 CG GLU A 75 18.282 -15.164 -9.022 1.00 37.71 C ATOM 747 CD GLU A 75 19.271 -15.828 -8.057 1.00 47.27 C ATOM 748 OE1 GLU A 75 19.286 -15.507 -6.826 1.00 46.51 O ATOM 749 OE2 GLU A 75 20.049 -16.686 -8.546 1.00 48.73 O ATOM 750 H GLU A 75 14.383 -14.892 -8.220 1.00 0.00 H ATOM 751 N SER A 76 17.086 -13.986 -5.369 1.00 39.18 N ATOM 752 CA SER A 76 17.061 -12.978 -4.320 1.00 38.48 C ATOM 753 C SER A 76 18.127 -11.933 -4.604 1.00 40.85 C ATOM 754 O SER A 76 19.234 -12.261 -5.050 1.00 44.89 O ATOM 755 CB SER A 76 17.298 -13.586 -2.945 1.00 38.46 C ATOM 756 OG SER A 76 16.185 -14.362 -2.553 1.00 40.24 O ATOM 757 HG SER A 76 15.379 -13.788 -2.518 1.00 0.00 H ATOM 758 H SER A 76 17.987 -14.472 -5.554 1.00 0.00 H ATOM 759 N GLY A 77 17.786 -10.714 -4.299 1.00 32.93 N ATOM 760 CA GLY A 77 18.761 -9.684 -4.550 1.00 38.39 C ATOM 761 C GLY A 77 18.492 -8.399 -3.798 1.00 39.27 C ATOM 762 O GLY A 77 17.686 -8.354 -2.853 1.00 37.91 O ATOM 763 H GLY A 77 16.854 -10.494 -3.893 1.00 0.00 H ATOM 764 N TRP A 78 19.091 -7.310 -4.156 1.00 34.31 N ATOM 765 CA TRP A 78 18.930 -6.075 -3.420 1.00 35.43 C ATOM 766 C TRP A 78 18.731 -4.863 -4.317 1.00 32.85 C ATOM 767 O TRP A 78 18.379 -3.797 -3.804 1.00 35.78 O ATOM 768 CB TRP A 78 20.147 -5.844 -2.504 1.00 36.86 C ATOM 769 CG TRP A 78 21.437 -5.872 -3.249 1.00 39.22 C ATOM 770 CD1 TRP A 78 22.166 -6.977 -3.595 1.00 43.26 C ATOM 771 CD2 TRP A 78 22.133 -4.753 -3.794 1.00 37.82 C ATOM 772 NE1 TRP A 78 23.285 -6.612 -4.317 1.00 42.28 N ATOM 773 CE2 TRP A 78 23.285 -5.250 -4.452 1.00 36.44 C ATOM 774 CE3 TRP A 78 21.902 -3.376 -3.787 1.00 39.87 C ATOM 775 CZ2 TRP A 78 24.196 -4.416 -5.092 1.00 40.52 C ATOM 776 CZ3 TRP A 78 22.812 -2.546 -4.422 1.00 38.43 C ATOM 777 CH2 TRP A 78 23.945 -3.069 -5.067 1.00 39.57 C ATOM 778 HE1 TRP A 78 24.005 -7.261 -4.694 1.00 0.00 H ATOM 779 H TRP A 78 19.705 -7.323 -4.995 1.00 0.00 H ATOM 780 N ALA A 79 19.002 -4.986 -5.622 1.00 35.08 N ATOM 781 CA ALA A 79 18.828 -3.837 -6.491 1.00 34.21 C ATOM 782 C ALA A 79 18.340 -4.303 -7.848 1.00 36.47 C ATOM 783 O ALA A 79 18.565 -5.452 -8.244 1.00 38.46 O ATOM 784 CB ALA A 79 20.120 -3.054 -6.663 1.00 37.25 C ATOM 785 H ALA A 79 19.333 -5.893 -6.008 1.00 0.00 H ATOM 786 N GLY A 80 17.668 -3.384 -8.554 1.00 32.56 N ATOM 787 CA GLY A 80 17.117 -3.688 -9.850 1.00 35.57 C ATOM 788 C GLY A 80 18.130 -3.432 -10.926 1.00 37.45 C ATOM 789 O GLY A 80 19.067 -2.682 -10.726 1.00 44.07 O ATOM 790 H GLY A 80 17.541 -2.431 -8.158 1.00 0.00 H ATOM 791 N PHE A 81 17.947 -4.075 -12.068 1.00 33.21 N ATOM 792 CA PHE A 81 18.891 -3.970 -13.173 1.00 36.63 C ATOM 793 C PHE A 81 18.140 -4.252 -14.468 1.00 39.21 C ATOM 794 O PHE A 81 16.957 -4.613 -14.452 1.00 38.24 O ATOM 795 CB PHE A 81 20.059 -4.939 -13.004 1.00 33.94 C ATOM 796 CG PHE A 81 19.633 -6.361 -12.874 1.00 36.51 C ATOM 797 CD1 PHE A 81 19.126 -6.837 -11.677 1.00 33.95 C ATOM 798 CD2 PHE A 81 19.730 -7.222 -13.947 1.00 37.08 C ATOM 799 CE1 PHE A 81 18.715 -8.131 -11.566 1.00 34.51 C ATOM 800 CE2 PHE A 81 19.336 -8.518 -13.839 1.00 35.46 C ATOM 801 CZ PHE A 81 18.819 -8.977 -12.638 1.00 35.79 C ATOM 802 H PHE A 81 17.104 -4.673 -12.180 1.00 0.00 H ATOM 803 N ILE A 82 18.850 -4.076 -15.594 1.00 35.26 N ATOM 804 CA ILE A 82 18.351 -4.382 -16.931 1.00 31.44 C ATOM 805 C ILE A 82 18.825 -5.781 -17.272 1.00 37.94 C ATOM 806 O ILE A 82 20.020 -6.081 -17.154 1.00 42.24 O ATOM 807 CB ILE A 82 18.859 -3.365 -17.971 1.00 37.10 C ATOM 808 CG1 ILE A 82 18.431 -1.949 -17.598 1.00 36.67 C ATOM 809 CG2 ILE A 82 18.351 -3.699 -19.366 1.00 37.64 C ATOM 810 CD1 ILE A 82 16.949 -1.801 -17.398 1.00 34.22 C ATOM 811 H ILE A 82 19.815 -3.698 -15.508 1.00 0.00 H ATOM 812 N LEU A 83 17.897 -6.630 -17.702 1.00 37.28 N ATOM 813 CA LEU A 83 18.074 -8.079 -17.740 1.00 39.16 C ATOM 814 C LEU A 83 17.822 -8.537 -19.159 1.00 36.89 C ATOM 815 O LEU A 83 16.657 -8.692 -19.566 1.00 35.75 O ATOM 816 CB LEU A 83 17.107 -8.771 -16.780 1.00 33.19 C ATOM 817 CG LEU A 83 17.349 -10.220 -16.372 1.00 36.33 C ATOM 818 CD1 LEU A 83 16.637 -10.536 -15.028 1.00 34.10 C ATOM 819 CD2 LEU A 83 16.915 -11.191 -17.449 1.00 31.95 C ATOM 820 H LEU A 83 16.991 -6.239 -18.031 1.00 0.00 H ATOM 821 N PRO A 84 18.864 -8.750 -19.951 1.00 41.15 N ATOM 822 CA PRO A 84 18.645 -9.186 -21.334 1.00 37.37 C ATOM 823 C PRO A 84 18.040 -10.569 -21.349 1.00 35.30 C ATOM 824 O PRO A 84 18.538 -11.486 -20.696 1.00 35.48 O ATOM 825 CB PRO A 84 20.054 -9.180 -21.927 1.00 41.15 C ATOM 826 CG PRO A 84 20.757 -8.132 -21.141 1.00 43.85 C ATOM 827 CD PRO A 84 20.261 -8.357 -19.720 1.00 41.82 C ATOM 828 N ILE A 85 16.932 -10.707 -22.056 1.00 32.86 N ATOM 829 CA ILE A 85 16.305 -12.001 -22.268 1.00 36.57 C ATOM 830 C ILE A 85 16.386 -12.311 -23.746 1.00 35.42 C ATOM 831 O ILE A 85 15.967 -11.490 -24.568 1.00 37.79 O ATOM 832 CB ILE A 85 14.844 -12.015 -21.809 1.00 30.68 C ATOM 833 CG1 ILE A 85 14.745 -11.660 -20.337 1.00 28.91 C ATOM 834 CG2 ILE A 85 14.252 -13.370 -22.082 1.00 28.91 C ATOM 835 CD1 ILE A 85 13.332 -11.670 -19.841 1.00 26.78 C ATOM 836 H ILE A 85 16.494 -9.862 -22.475 1.00 0.00 H ATOM 837 N GLU A 86 16.896 -13.493 -24.079 1.00 35.64 N ATOM 838 CA GLU A 86 16.939 -14.006 -25.445 1.00 40.56 C ATOM 839 C GLU A 86 15.988 -15.185 -25.593 1.00 37.73 C ATOM 840 O GLU A 86 16.032 -16.137 -24.808 1.00 38.76 O ATOM 841 CB GLU A 86 18.359 -14.435 -25.830 1.00 45.09 C ATOM 842 CG GLU A 86 19.371 -13.274 -25.937 1.00 48.63 C ATOM 843 CD GLU A 86 20.785 -13.714 -26.344 1.00 55.13 C ATOM 844 OE1 GLU A 86 21.257 -14.802 -25.919 1.00 46.48 O ATOM 845 OE2 GLU A 86 21.421 -12.952 -27.107 1.00 62.82 O ATOM 846 H GLU A 86 17.288 -14.088 -23.321 1.00 0.00 H ATOM 847 N VAL A 87 15.133 -15.121 -26.599 1.00 43.16 N ATOM 848 CA VAL A 87 14.200 -16.196 -26.908 1.00 42.06 C ATOM 849 C VAL A 87 14.649 -16.852 -28.209 1.00 47.75 C ATOM 850 O VAL A 87 14.707 -16.198 -29.262 1.00 46.21 O ATOM 851 CB VAL A 87 12.761 -15.682 -27.006 1.00 37.20 C ATOM 852 CG1 VAL A 87 11.835 -16.817 -27.361 1.00 34.41 C ATOM 853 CG2 VAL A 87 12.362 -15.025 -25.688 1.00 34.73 C ATOM 854 H VAL A 87 15.126 -14.268 -27.194 1.00 0.00 H ATOM 855 N TYR A 88 14.992 -18.139 -28.120 1.00 47.58 N ATOM 856 CA TYR A 88 15.508 -18.926 -29.230 1.00 44.59 C ATOM 857 C TYR A 88 14.396 -19.776 -29.825 1.00 46.84 C ATOM 858 O TYR A 88 13.622 -20.417 -29.102 1.00 43.60 O ATOM 859 CB TYR A 88 16.650 -19.839 -28.773 1.00 47.47 C ATOM 860 CG TYR A 88 18.000 -19.159 -28.598 1.00 55.00 C ATOM 861 CD1 TYR A 88 18.317 -18.450 -27.432 1.00 52.11 C ATOM 862 CD2 TYR A 88 18.968 -19.240 -29.590 1.00 57.91 C ATOM 863 CE1 TYR A 88 19.560 -17.836 -27.280 1.00 50.11 C ATOM 864 CE2 TYR A 88 20.197 -18.630 -29.445 1.00 58.20 C ATOM 865 CZ TYR A 88 20.490 -17.938 -28.297 1.00 56.49 C ATOM 866 OH TYR A 88 21.728 -17.356 -28.211 1.00 63.74 O ATOM 867 HH TYR A 88 21.813 -16.891 -27.341 1.00 0.00 H ATOM 868 H TYR A 88 14.884 -18.609 -27.199 1.00 0.00 H ATOM 869 N PHE A 89 14.352 -19.820 -31.147 1.00 48.17 N ATOM 870 CA PHE A 89 13.265 -20.475 -31.848 1.00 46.90 C ATOM 871 C PHE A 89 13.680 -21.817 -32.435 1.00 48.03 C ATOM 872 O PHE A 89 14.835 -22.027 -32.826 1.00 50.36 O ATOM 873 CB PHE A 89 12.749 -19.585 -32.953 1.00 50.19 C ATOM 874 CG PHE A 89 12.375 -18.235 -32.484 1.00 43.25 C ATOM 875 CD1 PHE A 89 11.398 -18.085 -31.534 1.00 41.36 C ATOM 876 CD2 PHE A 89 12.991 -17.118 -32.995 1.00 44.77 C ATOM 877 CE1 PHE A 89 11.038 -16.832 -31.098 1.00 41.86 C ATOM 878 CE2 PHE A 89 12.631 -15.869 -32.568 1.00 47.74 C ATOM 879 CZ PHE A 89 11.650 -15.722 -31.612 1.00 39.80 C ATOM 880 H PHE A 89 15.115 -19.374 -31.696 1.00 0.00 H ATOM 881 N LYS A 90 12.699 -22.719 -32.480 1.00 44.71 N ATOM 882 CA LYS A 90 12.815 -24.011 -33.147 1.00 48.57 C ATOM 883 C LYS A 90 12.698 -23.838 -34.664 1.00 53.10 C ATOM 884 O LYS A 90 11.824 -24.406 -35.319 1.00 58.36 O ATOM 885 CB LYS A 90 11.741 -24.956 -32.632 1.00 42.78 C ATOM 886 CG LYS A 90 11.857 -25.329 -31.175 1.00 38.31 C ATOM 887 CD LYS A 90 10.688 -26.204 -30.752 1.00 31.86 C ATOM 888 CE LYS A 90 10.930 -26.833 -29.396 1.00 39.81 C ATOM 889 NZ LYS A 90 9.917 -27.895 -29.125 1.00 48.95 N ATOM 890 HZ1 LYS A 90 8.965 -27.476 -29.139 1.00 0.00 H ATOM 891 HZ2 LYS A 90 9.984 -28.631 -29.857 1.00 0.00 H ATOM 892 HZ3 LYS A 90 10.098 -28.315 -28.191 1.00 0.00 H ATOM 893 H LYS A 90 11.799 -22.488 -32.013 1.00 0.00 H ATOM 894 N ASN A 91 13.578 -23.001 -35.214 1.00 49.86 N ATOM 895 CA ASN A 91 13.681 -22.822 -36.651 1.00 60.17 C ATOM 896 C ASN A 91 15.153 -22.820 -37.037 1.00 67.00 C ATOM 897 O ASN A 91 16.044 -22.988 -36.193 1.00 61.44 O ATOM 898 CB ASN A 91 12.980 -21.539 -37.123 1.00 61.72 C ATOM 899 CG ASN A 91 13.782 -20.273 -36.829 1.00 66.34 C ATOM 900 OD1 ASN A 91 14.637 -20.238 -35.938 1.00 64.05 O ATOM 901 ND2 ASN A 91 13.493 -19.218 -37.578 1.00 69.97 N ATOM 902 HD22 ASN A 91 12.766 -19.289 -38.318 1.00 0.00 H ATOM 903 HD21 ASN A 91 13.993 -18.319 -37.425 1.00 0.00 H ATOM 904 H ASN A 91 14.212 -22.458 -34.593 1.00 0.00 H ATOM 905 N LYS A 92 15.406 -22.609 -38.334 1.00 74.71 N ATOM 906 CA LYS A 92 16.757 -22.648 -38.874 1.00 71.44 C ATOM 907 C LYS A 92 17.145 -21.414 -39.671 1.00 71.68 C ATOM 908 O LYS A 92 18.334 -21.243 -39.950 1.00 74.16 O ATOM 909 CB LYS A 92 16.940 -23.891 -39.756 1.00 70.81 C ATOM 910 CG LYS A 92 16.913 -25.206 -38.987 1.00 68.03 C ATOM 911 CD LYS A 92 17.320 -26.377 -39.887 1.00 74.08 C ATOM 912 CE LYS A 92 16.276 -26.667 -40.988 1.00 84.02 C ATOM 913 NZ LYS A 92 16.571 -27.879 -41.822 1.00 77.98 N ATOM 914 HZ1 LYS A 92 17.487 -27.756 -42.298 1.00 0.00 H ATOM 915 HZ2 LYS A 92 16.607 -28.719 -41.210 1.00 0.00 H ATOM 916 HZ3 LYS A 92 15.822 -27.999 -42.534 1.00 0.00 H ATOM 917 H LYS A 92 14.612 -22.411 -38.976 1.00 0.00 H ATOM 918 N GLU A 93 16.208 -20.544 -40.023 1.00 81.81 N ATOM 919 CA GLU A 93 16.502 -19.346 -40.795 1.00 84.71 C ATOM 920 C GLU A 93 16.243 -18.119 -39.936 1.00 84.40 C ATOM 921 O GLU A 93 15.304 -18.112 -39.141 1.00 84.71 O ATOM 922 CB GLU A 93 15.647 -19.311 -42.070 1.00 89.56 C ATOM 923 CG GLU A 93 15.363 -17.921 -42.643 1.00 97.34 C ATOM 924 CD GLU A 93 16.488 -17.373 -43.514 1.00 99.15 C ATOM 925 OE1 GLU A 93 17.516 -18.067 -43.686 1.00 98.81 O ATOM 926 OE2 GLU A 93 16.334 -16.240 -44.029 1.00100.50 O ATOM 927 H GLU A 93 15.225 -20.725 -39.736 1.00 0.00 H ATOM 928 N GLU A 94 17.080 -17.092 -40.089 1.00 78.12 N ATOM 929 CA GLU A 94 16.933 -15.844 -39.350 1.00 79.52 C ATOM 930 C GLU A 94 15.497 -15.305 -39.446 1.00 82.21 C ATOM 931 O GLU A 94 14.888 -15.320 -40.512 1.00 77.26 O ATOM 932 CB GLU A 94 17.945 -14.807 -39.854 1.00 76.85 C ATOM 933 CG GLU A 94 18.369 -13.744 -38.825 1.00 84.10 C ATOM 934 CD GLU A 94 18.827 -14.338 -37.491 1.00 87.61 C ATOM 935 OE1 GLU A 94 19.397 -15.452 -37.490 1.00 87.79 O ATOM 936 OE2 GLU A 94 18.598 -13.691 -36.440 1.00 84.08 O ATOM 937 H GLU A 94 17.868 -17.185 -40.761 1.00 0.00 H ATOM 938 N PRO A 95 14.939 -14.858 -38.306 1.00 86.41 N ATOM 939 CA PRO A 95 15.626 -14.845 -37.006 1.00 76.91 C ATOM 940 C PRO A 95 15.635 -16.199 -36.292 1.00 72.41 C ATOM 941 O PRO A 95 14.621 -16.892 -36.296 1.00 69.71 O ATOM 942 CB PRO A 95 14.818 -13.829 -36.213 1.00 76.17 C ATOM 943 CG PRO A 95 13.397 -14.018 -36.750 1.00 75.76 C ATOM 944 CD PRO A 95 13.534 -14.409 -38.200 1.00 79.23 C ATOM 945 N ARG A 96 16.771 -16.575 -35.702 1.00 64.36 N ATOM 946 CA ARG A 96 16.775 -17.717 -34.795 1.00 64.94 C ATOM 947 C ARG A 96 16.577 -17.311 -33.335 1.00 54.67 C ATOM 948 O ARG A 96 16.192 -18.152 -32.515 1.00 53.03 O ATOM 949 CB ARG A 96 18.071 -18.530 -34.953 1.00 66.39 C ATOM 950 CG ARG A 96 18.031 -19.859 -34.131 1.00 61.93 C ATOM 951 CD ARG A 96 19.182 -20.775 -34.464 1.00 62.90 C ATOM 952 NE ARG A 96 19.215 -21.067 -35.898 1.00 64.71 N ATOM 953 CZ ARG A 96 20.339 -21.307 -36.583 1.00 70.93 C ATOM 954 NH1 ARG A 96 21.523 -21.279 -35.947 1.00 62.41 N ATOM 955 NH2 ARG A 96 20.280 -21.567 -37.907 1.00 71.12 N ATOM 956 HE ARG A 96 18.312 -21.089 -36.414 1.00 0.00 H ATOM 957 HH12 ARG A 96 22.401 -21.465 -36.473 1.00 0.00 H ATOM 958 HH11 ARG A 96 21.561 -21.072 -34.929 1.00 0.00 H ATOM 959 HH22 ARG A 96 21.153 -21.754 -38.440 1.00 0.00 H ATOM 960 HH21 ARG A 96 19.361 -21.581 -38.394 1.00 0.00 H ATOM 961 H ARG A 96 17.652 -16.055 -35.889 1.00 0.00 H ATOM 962 N LYS A 97 16.781 -16.032 -33.007 1.00 53.11 N ATOM 963 CA LYS A 97 16.604 -15.520 -31.649 1.00 47.58 C ATOM 964 C LYS A 97 15.959 -14.135 -31.708 1.00 43.23 C ATOM 965 O LYS A 97 15.926 -13.479 -32.750 1.00 46.40 O ATOM 966 CB LYS A 97 17.942 -15.436 -30.916 1.00 45.28 C ATOM 967 CG LYS A 97 18.609 -14.066 -31.102 1.00 48.09 C ATOM 968 CD LYS A 97 20.095 -14.067 -30.719 1.00 51.50 C ATOM 969 CE LYS A 97 20.664 -12.663 -30.967 1.00 59.51 C ATOM 970 NZ LYS A 97 20.646 -11.723 -29.757 1.00 63.27 N ATOM 971 HZ1 LYS A 97 19.665 -11.591 -29.436 1.00 0.00 H ATOM 972 HZ2 LYS A 97 21.210 -12.138 -28.989 1.00 0.00 H ATOM 973 HZ3 LYS A 97 21.050 -10.804 -30.028 1.00 0.00 H ATOM 974 H LYS A 97 17.079 -15.370 -33.752 1.00 0.00 H ATOM 975 N VAL A 98 15.433 -13.696 -30.574 1.00 42.34 N ATOM 976 CA VAL A 98 14.969 -12.325 -30.387 1.00 40.22 C ATOM 977 C VAL A 98 15.393 -11.870 -28.997 1.00 45.07 C ATOM 978 O VAL A 98 15.423 -12.665 -28.051 1.00 43.32 O ATOM 979 CB VAL A 98 13.442 -12.193 -30.552 1.00 41.19 C ATOM 980 CG1 VAL A 98 12.710 -13.063 -29.527 1.00 38.61 C ATOM 981 CG2 VAL A 98 13.029 -10.729 -30.418 1.00 35.05 C ATOM 982 H VAL A 98 15.347 -14.361 -29.779 1.00 0.00 H ATOM 983 N ARG A 99 15.725 -10.597 -28.860 1.00 42.24 N ATOM 984 CA ARG A 99 16.287 -10.120 -27.607 1.00 39.59 C ATOM 985 C ARG A 99 15.418 -9.010 -27.043 1.00 40.97 C ATOM 986 O ARG A 99 14.912 -8.169 -27.787 1.00 40.08 O ATOM 987 CB ARG A 99 17.720 -9.638 -27.813 1.00 40.34 C ATOM 988 CG ARG A 99 18.342 -8.860 -26.660 1.00 49.38 C ATOM 989 CD ARG A 99 19.842 -9.098 -26.661 1.00 50.03 C ATOM 990 NE ARG A 99 20.567 -8.173 -25.803 1.00 48.14 N ATOM 991 CZ ARG A 99 21.691 -8.492 -25.165 1.00 58.19 C ATOM 992 NH1 ARG A 99 22.199 -9.724 -25.272 1.00 59.85 N ATOM 993 NH2 ARG A 99 22.297 -7.590 -24.397 1.00 56.90 N ATOM 994 HE ARG A 99 20.187 -7.212 -25.682 1.00 0.00 H ATOM 995 HH12 ARG A 99 23.077 -9.970 -24.772 1.00 0.00 H ATOM 996 HH11 ARG A 99 21.716 -10.437 -25.855 1.00 0.00 H ATOM 997 HH22 ARG A 99 23.175 -7.838 -23.898 1.00 0.00 H ATOM 998 HH21 ARG A 99 21.892 -6.637 -24.296 1.00 0.00 H ATOM 999 H ARG A 99 15.584 -9.936 -29.650 1.00 0.00 H ATOM 1000 N PHE A 100 15.239 -9.013 -25.724 1.00 38.99 N ATOM 1001 CA PHE A 100 14.575 -7.909 -25.053 1.00 40.51 C ATOM 1002 C PHE A 100 15.430 -7.454 -23.884 1.00 40.78 C ATOM 1003 O PHE A 100 15.964 -8.272 -23.135 1.00 41.14 O ATOM 1004 CB PHE A 100 13.195 -8.291 -24.513 1.00 40.36 C ATOM 1005 CG PHE A 100 12.295 -8.991 -25.503 1.00 38.34 C ATOM 1006 CD1 PHE A 100 11.531 -8.266 -26.386 1.00 32.53 C ATOM 1007 CD2 PHE A 100 12.159 -10.375 -25.484 1.00 36.61 C ATOM 1008 CE1 PHE A 100 10.686 -8.904 -27.260 1.00 40.73 C ATOM 1009 CE2 PHE A 100 11.319 -11.017 -26.360 1.00 34.24 C ATOM 1010 CZ PHE A 100 10.580 -10.281 -27.246 1.00 37.79 C ATOM 1011 H PHE A 100 15.581 -9.820 -25.164 1.00 0.00 H ATOM 1012 N ASP A 101 15.542 -6.158 -23.695 1.00 38.85 N ATOM 1013 CA ASP A 101 16.087 -5.668 -22.442 1.00 40.67 C ATOM 1014 C ASP A 101 14.925 -5.586 -21.467 1.00 36.32 C ATOM 1015 O ASP A 101 14.029 -4.756 -21.636 1.00 37.00 O ATOM 1016 CB ASP A 101 16.770 -4.319 -22.626 1.00 42.98 C ATOM 1017 CG ASP A 101 18.049 -4.421 -23.437 1.00 47.20 C ATOM 1018 OD1 ASP A 101 18.745 -5.455 -23.360 1.00 48.37 O ATOM 1019 OD2 ASP A 101 18.352 -3.449 -24.158 1.00 53.30 O ATOM 1020 H ASP A 101 15.243 -5.491 -24.435 1.00 0.00 H ATOM 1021 N TYR A 102 14.902 -6.470 -20.476 1.00 36.07 N ATOM 1022 CA TYR A 102 13.807 -6.469 -19.516 1.00 34.41 C ATOM 1023 C TYR A 102 14.206 -5.671 -18.277 1.00 33.61 C ATOM 1024 O TYR A 102 15.240 -5.954 -17.669 1.00 31.25 O ATOM 1025 CB TYR A 102 13.406 -7.888 -19.120 1.00 30.28 C ATOM 1026 CG TYR A 102 12.208 -7.827 -18.221 1.00 31.04 C ATOM 1027 CD1 TYR A 102 10.935 -7.693 -18.762 1.00 29.95 C ATOM 1028 CD2 TYR A 102 12.347 -7.827 -16.827 1.00 26.29 C ATOM 1029 CE1 TYR A 102 9.826 -7.589 -17.954 1.00 27.10 C ATOM 1030 CE2 TYR A 102 11.243 -7.722 -16.007 1.00 24.90 C ATOM 1031 CZ TYR A 102 9.988 -7.604 -16.586 1.00 26.87 C ATOM 1032 OH TYR A 102 8.889 -7.491 -15.799 1.00 26.39 O ATOM 1033 HH TYR A 102 8.971 -6.682 -15.234 1.00 0.00 H ATOM 1034 H TYR A 102 15.669 -7.166 -20.385 1.00 0.00 H ATOM 1035 N ASP A 103 13.394 -4.715 -17.863 1.00 30.03 N ATOM 1036 CA ASP A 103 13.691 -3.945 -16.676 1.00 31.56 C ATOM 1037 C ASP A 103 13.161 -4.571 -15.407 1.00 31.46 C ATOM 1038 O ASP A 103 12.021 -4.457 -15.100 1.00 27.80 O ATOM 1039 CB ASP A 103 13.175 -2.530 -16.807 1.00 30.06 C ATOM 1040 CG ASP A 103 13.477 -1.678 -15.605 1.00 36.04 C ATOM 1041 OD1 ASP A 103 14.400 -1.942 -14.874 1.00 35.68 O ATOM 1042 OD2 ASP A 103 12.786 -0.703 -15.393 1.00 41.40 O ATOM 1043 H ASP A 103 12.527 -4.513 -18.400 1.00 0.00 H ATOM 1044 N LEU A 104 14.048 -5.224 -14.687 1.00 29.71 N ATOM 1045 CA LEU A 104 13.782 -5.893 -13.447 1.00 29.64 C ATOM 1046 C LEU A 104 13.968 -4.897 -12.322 1.00 33.83 C ATOM 1047 O LEU A 104 15.022 -4.735 -11.777 1.00 30.26 O ATOM 1048 CB LEU A 104 14.771 -7.033 -13.308 1.00 31.08 C ATOM 1049 CG LEU A 104 14.874 -7.952 -12.107 1.00 33.19 C ATOM 1050 CD1 LEU A 104 15.268 -7.243 -10.864 1.00 27.77 C ATOM 1051 CD2 LEU A 104 13.643 -8.765 -11.873 1.00 27.98 C ATOM 1052 H LEU A 104 15.023 -5.258 -15.047 1.00 0.00 H ATOM 1053 N PHE A 105 12.901 -4.214 -12.001 1.00 28.63 N ATOM 1054 CA PHE A 105 12.914 -3.229 -10.978 1.00 30.31 C ATOM 1055 C PHE A 105 12.309 -3.730 -9.674 1.00 30.69 C ATOM 1056 O PHE A 105 11.515 -4.623 -9.675 1.00 26.87 O ATOM 1057 CB PHE A 105 12.211 -1.984 -11.473 1.00 28.95 C ATOM 1058 CG PHE A 105 10.791 -2.193 -11.867 1.00 28.58 C ATOM 1059 CD1 PHE A 105 9.809 -2.206 -10.933 1.00 26.20 C ATOM 1060 CD2 PHE A 105 10.449 -2.346 -13.177 1.00 27.97 C ATOM 1061 CE1 PHE A 105 8.525 -2.387 -11.298 1.00 29.60 C ATOM 1062 CE2 PHE A 105 9.161 -2.510 -13.556 1.00 22.31 C ATOM 1063 CZ PHE A 105 8.200 -2.532 -12.614 1.00 31.91 C ATOM 1064 H PHE A 105 12.014 -4.398 -12.511 1.00 0.00 H ATOM 1065 N LEU A 106 12.726 -3.128 -8.571 1.00 27.59 N ATOM 1066 CA LEU A 106 12.243 -3.504 -7.254 1.00 30.59 C ATOM 1067 C LEU A 106 11.645 -2.286 -6.574 1.00 31.92 C ATOM 1068 O LEU A 106 12.143 -1.173 -6.743 1.00 33.70 O ATOM 1069 CB LEU A 106 13.373 -4.057 -6.386 1.00 28.57 C ATOM 1070 CG LEU A 106 14.389 -4.976 -7.062 1.00 28.04 C ATOM 1071 CD1 LEU A 106 15.517 -5.296 -6.115 1.00 25.31 C ATOM 1072 CD2 LEU A 106 13.689 -6.248 -7.513 1.00 27.79 C ATOM 1073 H LEU A 106 13.423 -2.360 -8.650 1.00 0.00 H ATOM 1074 N HIS A 107 10.595 -2.489 -5.789 1.00 33.20 N ATOM 1075 CA HIS A 107 10.078 -1.387 -4.988 1.00 34.18 C ATOM 1076 C HIS A 107 10.691 -1.377 -3.576 1.00 34.60 C ATOM 1077 O HIS A 107 11.151 -2.394 -3.051 1.00 31.14 O ATOM 1078 CB HIS A 107 8.553 -1.452 -4.923 1.00 35.15 C ATOM 1079 CG HIS A 107 7.878 -1.019 -6.196 1.00 37.22 C ATOM 1080 ND1 HIS A 107 6.523 -1.181 -6.422 1.00 29.24 N ATOM 1081 CD2 HIS A 107 8.379 -0.422 -7.307 1.00 35.30 C ATOM 1082 CE1 HIS A 107 6.225 -0.710 -7.622 1.00 36.64 C ATOM 1083 NE2 HIS A 107 7.333 -0.247 -8.181 1.00 38.52 N ATOM 1084 H HIS A 107 10.145 -3.426 -5.746 1.00 0.00 H ATOM 1085 N LEU A 108 10.711 -0.192 -2.968 1.00 38.89 N ATOM 1086 CA LEU A 108 11.280 -0.074 -1.634 1.00 37.51 C ATOM 1087 C LEU A 108 10.367 -0.719 -0.604 1.00 37.72 C ATOM 1088 O LEU A 108 9.160 -0.890 -0.821 1.00 32.56 O ATOM 1089 CB LEU A 108 11.514 1.385 -1.277 1.00 35.84 C ATOM 1090 CG LEU A 108 12.583 2.013 -2.155 1.00 43.40 C ATOM 1091 CD1 LEU A 108 12.165 3.422 -2.472 1.00 40.62 C ATOM 1092 CD2 LEU A 108 13.895 1.978 -1.394 1.00 42.18 C ATOM 1093 H LEU A 108 10.321 0.646 -3.445 1.00 0.00 H ATOM 1094 N GLU A 109 10.973 -1.107 0.527 1.00 38.56 N ATOM 1095 CA GLU A 109 10.174 -1.584 1.643 1.00 39.89 C ATOM 1096 C GLU A 109 9.161 -0.514 2.004 1.00 36.90 C ATOM 1097 O GLU A 109 9.459 0.678 1.965 1.00 38.47 O ATOM 1098 CB GLU A 109 11.036 -1.929 2.856 1.00 41.63 C ATOM 1099 CG GLU A 109 10.186 -2.520 4.007 1.00 44.86 C ATOM 1100 CD GLU A 109 10.984 -3.200 5.134 1.00 71.58 C ATOM 1101 OE1 GLU A 109 10.888 -4.448 5.243 1.00 69.70 O ATOM 1102 OE2 GLU A 109 11.669 -2.495 5.934 1.00 76.33 O ATOM 1103 H GLU A 109 12.009 -1.067 0.605 1.00 0.00 H ATOM 1104 N GLY A 110 7.941 -0.941 2.301 1.00 39.69 N ATOM 1105 CA GLY A 110 6.848 -0.037 2.526 1.00 31.93 C ATOM 1106 C GLY A 110 6.019 0.246 1.301 1.00 36.94 C ATOM 1107 O GLY A 110 4.896 0.738 1.437 1.00 36.58 O ATOM 1108 H GLY A 110 7.770 -1.964 2.373 1.00 0.00 H ATOM 1109 N HIS A 111 6.532 -0.081 0.092 1.00 35.55 N ATOM 1110 CA HIS A 111 5.809 0.147 -1.147 1.00 33.36 C ATOM 1111 C HIS A 111 5.262 -1.156 -1.693 1.00 33.39 C ATOM 1112 O HIS A 111 5.733 -2.238 -1.335 1.00 36.87 O ATOM 1113 CB HIS A 111 6.724 0.838 -2.150 1.00 33.38 C ATOM 1114 CG HIS A 111 6.968 2.257 -1.777 1.00 40.98 C ATOM 1115 ND1 HIS A 111 6.490 3.316 -2.518 1.00 48.70 N ATOM 1116 CD2 HIS A 111 7.530 2.793 -0.669 1.00 38.63 C ATOM 1117 CE1 HIS A 111 6.795 4.445 -1.905 1.00 49.59 C ATOM 1118 NE2 HIS A 111 7.421 4.154 -0.778 1.00 43.94 N ATOM 1119 H HIS A 111 7.478 -0.511 0.049 1.00 0.00 H ATOM 1120 N PRO A 112 4.219 -1.095 -2.524 1.00 30.76 N ATOM 1121 CA PRO A 112 3.550 -2.327 -2.936 1.00 31.13 C ATOM 1122 C PRO A 112 4.499 -3.250 -3.671 1.00 34.37 C ATOM 1123 O PRO A 112 5.420 -2.773 -4.375 1.00 38.89 O ATOM 1124 CB PRO A 112 2.431 -1.823 -3.859 1.00 27.52 C ATOM 1125 CG PRO A 112 2.895 -0.524 -4.316 1.00 31.58 C ATOM 1126 CD PRO A 112 3.611 0.085 -3.145 1.00 29.82 C ATOM 1127 N PRO A 113 4.332 -4.558 -3.543 1.00 34.30 N ATOM 1128 CA PRO A 113 5.165 -5.499 -4.312 1.00 33.74 C ATOM 1129 C PRO A 113 4.936 -5.355 -5.801 1.00 31.58 C ATOM 1130 O PRO A 113 3.850 -5.003 -6.257 1.00 31.33 O ATOM 1131 CB PRO A 113 4.694 -6.874 -3.836 1.00 35.11 C ATOM 1132 CG PRO A 113 3.277 -6.628 -3.413 1.00 36.20 C ATOM 1133 CD PRO A 113 3.329 -5.271 -2.738 1.00 36.28 C ATOM 1134 N VAL A 114 5.963 -5.681 -6.563 1.00 31.44 N ATOM 1135 CA VAL A 114 5.860 -5.598 -8.010 1.00 31.03 C ATOM 1136 C VAL A 114 5.211 -6.861 -8.547 1.00 30.42 C ATOM 1137 O VAL A 114 5.523 -7.978 -8.099 1.00 26.32 O ATOM 1138 CB VAL A 114 7.240 -5.388 -8.639 1.00 31.27 C ATOM 1139 CG1 VAL A 114 7.119 -5.361 -10.174 1.00 26.34 C ATOM 1140 CG2 VAL A 114 7.883 -4.127 -8.076 1.00 29.58 C ATOM 1141 H VAL A 114 6.851 -5.999 -6.125 1.00 0.00 H ATOM 1142 N ASN A 115 4.319 -6.668 -9.518 1.00 31.67 N ATOM 1143 CA ASN A 115 3.686 -7.732 -10.279 1.00 36.38 C ATOM 1144 C ASN A 115 3.550 -7.125 -11.670 1.00 35.97 C ATOM 1145 O ASN A 115 2.558 -6.447 -11.953 1.00 39.35 O ATOM 1146 CB ASN A 115 2.327 -8.122 -9.711 1.00 36.45 C ATOM 1147 CG ASN A 115 1.674 -9.191 -10.526 1.00 39.83 C ATOM 1148 OD1 ASN A 115 2.369 -9.990 -11.127 1.00 43.34 O ATOM 1149 ND2 ASN A 115 0.342 -9.218 -10.565 1.00 46.03 N ATOM 1150 HD22 ASN A 115 -0.208 -8.513 -10.034 1.00 0.00 H ATOM 1151 HD21 ASN A 115 -0.147 -9.944 -11.127 1.00 0.00 H ATOM 1152 H ASN A 115 4.058 -5.688 -9.747 1.00 0.00 H ATOM 1153 N HIS A 116 4.546 -7.329 -12.527 1.00 32.89 N ATOM 1154 CA HIS A 116 4.619 -6.551 -13.751 1.00 30.00 C ATOM 1155 C HIS A 116 4.444 -7.466 -14.938 1.00 31.55 C ATOM 1156 O HIS A 116 4.975 -8.584 -14.949 1.00 29.69 O ATOM 1157 CB HIS A 116 5.915 -5.812 -13.912 1.00 26.57 C ATOM 1158 CG HIS A 116 5.880 -4.844 -15.049 1.00 35.00 C ATOM 1159 ND1 HIS A 116 6.662 -4.986 -16.173 1.00 31.97 N ATOM 1160 CD2 HIS A 116 5.131 -3.731 -15.246 1.00 33.33 C ATOM 1161 CE1 HIS A 116 6.405 -3.994 -17.012 1.00 35.65 C ATOM 1162 NE2 HIS A 116 5.477 -3.223 -16.476 1.00 37.22 N ATOM 1163 H HIS A 116 5.272 -8.045 -12.321 1.00 0.00 H ATOM 1164 N LEU A 117 3.721 -6.967 -15.940 1.00 35.34 N ATOM 1165 CA LEU A 117 3.444 -7.705 -17.167 1.00 38.35 C ATOM 1166 C LEU A 117 3.765 -6.820 -18.356 1.00 31.60 C ATOM 1167 O LEU A 117 3.343 -5.665 -18.413 1.00 37.18 O ATOM 1168 CB LEU A 117 1.992 -8.174 -17.238 1.00 34.46 C ATOM 1169 CG LEU A 117 1.858 -9.358 -18.173 1.00 44.52 C ATOM 1170 CD1 LEU A 117 2.285 -10.587 -17.429 1.00 38.90 C ATOM 1171 CD2 LEU A 117 0.437 -9.514 -18.691 1.00 49.60 C ATOM 1172 H LEU A 117 3.336 -6.006 -15.842 1.00 0.00 H ATOM 1173 N ARG A 118 4.544 -7.351 -19.274 1.00 30.52 N ATOM 1174 CA ARG A 118 4.948 -6.669 -20.498 1.00 32.97 C ATOM 1175 C ARG A 118 4.621 -7.582 -21.668 1.00 33.29 C ATOM 1176 O ARG A 118 5.135 -8.703 -21.733 1.00 32.81 O ATOM 1177 CB ARG A 118 6.439 -6.364 -20.472 1.00 31.07 C ATOM 1178 CG ARG A 118 7.053 -6.193 -21.842 1.00 34.46 C ATOM 1179 CD ARG A 118 8.479 -5.678 -21.684 1.00 36.15 C ATOM 1180 NE ARG A 118 9.213 -5.505 -22.935 1.00 39.13 N ATOM 1181 CZ ARG A 118 10.520 -5.252 -22.995 1.00 40.96 C ATOM 1182 NH1 ARG A 118 11.234 -5.129 -21.881 1.00 35.38 N ATOM 1183 NH2 ARG A 118 11.118 -5.114 -24.170 1.00 38.73 N ATOM 1184 HE ARG A 118 8.686 -5.584 -23.828 1.00 0.00 H ATOM 1185 HH12 ARG A 118 12.254 -4.932 -21.936 1.00 0.00 H ATOM 1186 HH11 ARG A 118 10.773 -5.230 -20.954 1.00 0.00 H ATOM 1187 HH22 ARG A 118 12.138 -4.917 -24.214 1.00 0.00 H ATOM 1188 HH21 ARG A 118 10.567 -5.203 -25.048 1.00 0.00 H ATOM 1189 H ARG A 118 4.894 -8.318 -19.117 1.00 0.00 H ATOM 1190 N CYS A 119 3.898 -6.980 -22.608 1.00 41.71 N ATOM 1191 CA CYS A 119 3.521 -7.580 -23.862 1.00 46.67 C ATOM 1192 C CYS A 119 4.534 -7.219 -24.963 1.00 37.34 C ATOM 1193 O CYS A 119 5.195 -6.181 -24.952 1.00 38.76 O ATOM 1194 CB CYS A 119 2.117 -7.131 -24.270 1.00 44.00 C ATOM 1195 SG CYS A 119 0.783 -7.898 -23.322 1.00 68.03 S ATOM 1196 H CYS A 119 3.582 -6.006 -22.424 1.00 0.00 H ATOM 1197 N GLU A 120 4.598 -8.147 -25.897 1.00 41.77 N ATOM 1198 CA GLU A 120 5.391 -8.245 -27.099 1.00 44.96 C ATOM 1199 C GLU A 120 4.710 -9.053 -28.177 1.00 42.06 C ATOM 1200 O GLU A 120 4.465 -10.200 -28.010 1.00 38.14 O ATOM 1201 CB GLU A 120 6.731 -8.866 -26.791 1.00 38.56 C ATOM 1202 CG GLU A 120 7.594 -8.031 -25.889 1.00 42.17 C ATOM 1203 CD GLU A 120 7.863 -6.666 -26.447 1.00 53.17 C ATOM 1204 OE1 GLU A 120 8.080 -6.567 -27.646 1.00 52.12 O ATOM 1205 OE2 GLU A 120 7.864 -5.682 -25.698 1.00 52.32 O ATOM 1206 H GLU A 120 3.962 -8.955 -25.739 1.00 0.00 H ATOM 1207 N LYS A 121 4.502 -8.463 -29.349 1.00 44.30 N ATOM 1208 CA LYS A 121 3.922 -9.205 -30.471 1.00 47.66 C ATOM 1209 C LYS A 121 5.017 -9.478 -31.517 1.00 46.53 C ATOM 1210 O LYS A 121 5.564 -8.534 -32.088 1.00 47.60 O ATOM 1211 CB LYS A 121 2.769 -8.424 -31.099 1.00 54.85 C ATOM 1212 CG LYS A 121 1.454 -8.545 -30.346 1.00 60.92 C ATOM 1213 CD LYS A 121 0.309 -7.925 -31.130 1.00 69.91 C ATOM 1214 CE LYS A 121 -0.819 -7.489 -30.209 1.00 68.60 C ATOM 1215 NZ LYS A 121 -1.801 -6.616 -30.908 1.00 63.43 N ATOM 1216 HZ1 LYS A 121 -1.318 -5.764 -31.258 1.00 0.00 H ATOM 1217 HZ2 LYS A 121 -2.216 -7.134 -31.709 1.00 0.00 H ATOM 1218 HZ3 LYS A 121 -2.553 -6.342 -30.244 1.00 0.00 H ATOM 1219 H LYS A 121 4.754 -7.461 -29.471 1.00 0.00 H ATOM 1220 N LEU A 122 5.347 -10.748 -31.771 1.00 46.98 N ATOM 1221 CA LEU A 122 6.390 -11.053 -32.741 1.00 47.82 C ATOM 1222 C LEU A 122 5.755 -11.432 -34.076 1.00 55.11 C ATOM 1223 O LEU A 122 4.812 -12.238 -34.123 1.00 51.47 O ATOM 1224 CB LEU A 122 7.273 -12.199 -32.254 1.00 49.17 C ATOM 1225 CG LEU A 122 7.970 -12.015 -30.919 1.00 49.23 C ATOM 1226 CD1 LEU A 122 8.627 -13.332 -30.520 1.00 43.63 C ATOM 1227 CD2 LEU A 122 8.983 -10.852 -31.010 1.00 48.52 C ATOM 1228 H LEU A 122 4.858 -11.520 -31.275 1.00 0.00 H ATOM 1229 N THR A 123 6.263 -10.858 -35.159 1.00 55.36 N ATOM 1230 CA THR A 123 5.757 -11.169 -36.485 1.00 51.15 C ATOM 1231 C THR A 123 6.875 -11.825 -37.270 1.00 49.31 C ATOM 1232 O THR A 123 7.996 -11.307 -37.320 1.00 51.66 O ATOM 1233 CB THR A 123 5.246 -9.920 -37.208 1.00 55.00 C ATOM 1234 OG1 THR A 123 6.285 -8.931 -37.217 1.00 57.85 O ATOM 1235 CG2 THR A 123 3.976 -9.349 -36.537 1.00 51.17 C ATOM 1236 HG1 THR A 123 6.530 -8.703 -36.285 1.00 0.00 H ATOM 1237 H THR A 123 7.038 -10.172 -35.057 1.00 0.00 H ATOM 1238 N PHE A 124 6.569 -12.974 -37.840 1.00 46.18 N ATOM 1239 CA PHE A 124 7.458 -13.714 -38.716 1.00 52.51 C ATOM 1240 C PHE A 124 6.901 -13.639 -40.133 1.00 51.30 C ATOM 1241 O PHE A 124 5.837 -14.203 -40.426 1.00 51.82 O ATOM 1242 CB PHE A 124 7.571 -15.152 -38.234 1.00 50.43 C ATOM 1243 CG PHE A 124 8.189 -15.268 -36.907 1.00 48.90 C ATOM 1244 CD1 PHE A 124 9.540 -15.026 -36.746 1.00 54.75 C ATOM 1245 CD2 PHE A 124 7.426 -15.584 -35.803 1.00 52.33 C ATOM 1246 CE1 PHE A 124 10.124 -15.122 -35.508 1.00 52.29 C ATOM 1247 CE2 PHE A 124 8.003 -15.683 -34.570 1.00 45.79 C ATOM 1248 CZ PHE A 124 9.357 -15.455 -34.424 1.00 42.30 C ATOM 1249 H PHE A 124 5.629 -13.376 -37.649 1.00 0.00 H ATOM 1250 N ASN A 125 7.609 -12.939 -41.007 1.00 52.52 N ATOM 1251 CA ASN A 125 7.168 -12.812 -42.395 1.00 55.80 C ATOM 1252 C ASN A 125 7.606 -14.031 -43.201 1.00 53.22 C ATOM 1253 O ASN A 125 8.804 -14.245 -43.416 1.00 49.24 O ATOM 1254 CB ASN A 125 7.702 -11.516 -42.993 1.00 50.59 C ATOM 1255 CG ASN A 125 6.996 -10.310 -42.428 1.00 51.87 C ATOM 1256 OD1 ASN A 125 5.857 -10.418 -41.971 1.00 52.73 O ATOM 1257 ND2 ASN A 125 7.658 -9.159 -42.442 1.00 54.26 N ATOM 1258 HD22 ASN A 125 8.618 -9.116 -42.839 1.00 0.00 H ATOM 1259 HD21 ASN A 125 7.216 -8.300 -42.056 1.00 0.00 H ATOM 1260 H ASN A 125 8.488 -12.475 -40.702 1.00 0.00 H ATOM 1261 N ASN A 126 6.627 -14.837 -43.633 1.00 54.62 N ATOM 1262 CA ASN A 126 6.795 -15.943 -44.577 1.00 58.67 C ATOM 1263 C ASN A 126 7.805 -16.954 -44.070 1.00 57.60 C ATOM 1264 O ASN A 126 8.864 -17.142 -44.677 1.00 63.96 O ATOM 1265 CB ASN A 126 7.217 -15.436 -45.963 1.00 54.81 C ATOM 1266 CG ASN A 126 6.022 -15.186 -46.880 1.00 55.44 C ATOM 1267 OD1 ASN A 126 5.300 -16.119 -47.265 1.00 51.69 O ATOM 1268 ND2 ASN A 126 5.798 -13.923 -47.216 1.00 54.08 N ATOM 1269 HD22 ASN A 126 6.430 -13.173 -46.870 1.00 0.00 H ATOM 1270 HD21 ASN A 126 4.991 -13.682 -47.826 1.00 0.00 H ATOM 1271 H ASN A 126 5.669 -14.663 -43.268 1.00 0.00 H ATOM 1272 N PRO A 127 7.536 -17.609 -42.959 1.00 61.79 N ATOM 1273 CA PRO A 127 8.481 -18.601 -42.465 1.00 64.62 C ATOM 1274 C PRO A 127 8.415 -19.842 -43.330 1.00 57.50 C ATOM 1275 O PRO A 127 7.542 -19.986 -44.179 1.00 55.65 O ATOM 1276 CB PRO A 127 7.990 -18.873 -41.044 1.00 60.11 C ATOM 1277 CG PRO A 127 6.511 -18.665 -41.157 1.00 57.55 C ATOM 1278 CD PRO A 127 6.374 -17.478 -42.062 1.00 61.53 C ATOM 1279 N THR A 128 9.367 -20.738 -43.080 1.00 58.10 N ATOM 1280 CA THR A 128 9.386 -22.090 -43.610 1.00 57.15 C ATOM 1281 C THR A 128 8.106 -22.847 -43.255 1.00 64.72 C ATOM 1282 O THR A 128 7.352 -22.474 -42.357 1.00 68.70 O ATOM 1283 CB THR A 128 10.620 -22.801 -43.070 1.00 60.06 C ATOM 1284 OG1 THR A 128 11.748 -21.976 -43.364 1.00 54.39 O ATOM 1285 CG2 THR A 128 10.851 -24.164 -43.720 1.00 62.27 C ATOM 1286 HG1 THR A 128 12.570 -22.411 -43.025 1.00 0.00 H ATOM 1287 H THR A 128 10.152 -20.450 -42.462 1.00 0.00 H ATOM 1288 N GLU A 129 7.848 -23.916 -44.007 1.00 71.17 N ATOM 1289 CA GLU A 129 6.632 -24.688 -43.792 1.00 73.33 C ATOM 1290 C GLU A 129 6.638 -25.329 -42.418 1.00 70.63 C ATOM 1291 O GLU A 129 5.616 -25.326 -41.721 1.00 70.90 O ATOM 1292 CB GLU A 129 6.473 -25.750 -44.880 1.00 77.04 C ATOM 1293 CG GLU A 129 6.187 -25.173 -46.242 1.00 86.34 C ATOM 1294 CD GLU A 129 6.072 -26.225 -47.324 1.00 93.18 C ATOM 1295 OE1 GLU A 129 6.369 -27.414 -47.045 1.00 93.47 O ATOM 1296 OE2 GLU A 129 5.682 -25.845 -48.454 1.00 90.78 O ATOM 1297 H GLU A 129 8.517 -24.200 -44.750 1.00 0.00 H ATOM 1298 N ASP A 130 7.783 -25.893 -42.016 1.00 87.29 N ATOM 1299 CA ASP A 130 7.884 -26.534 -40.706 1.00 85.64 C ATOM 1300 C ASP A 130 7.733 -25.506 -39.596 1.00 82.65 C ATOM 1301 O ASP A 130 6.964 -25.697 -38.640 1.00 77.83 O ATOM 1302 CB ASP A 130 9.226 -27.266 -40.568 1.00 87.87 C ATOM 1303 CG ASP A 130 9.227 -28.659 -41.214 1.00 98.65 C ATOM 1304 OD1 ASP A 130 8.139 -29.179 -41.539 1.00 96.83 O ATOM 1305 OD2 ASP A 130 10.323 -29.245 -41.386 1.00102.93 O ATOM 1306 H ASP A 130 8.612 -25.875 -42.644 1.00 0.00 H ATOM 1307 N PHE A 131 8.451 -24.390 -39.720 1.00 64.28 N ATOM 1308 CA PHE A 131 8.396 -23.388 -38.672 1.00 63.44 C ATOM 1309 C PHE A 131 6.997 -22.803 -38.549 1.00 64.67 C ATOM 1310 O PHE A 131 6.478 -22.659 -37.438 1.00 61.39 O ATOM 1311 CB PHE A 131 9.428 -22.297 -38.922 1.00 63.55 C ATOM 1312 CG PHE A 131 9.628 -21.399 -37.743 1.00 58.26 C ATOM 1313 CD1 PHE A 131 9.635 -21.929 -36.457 1.00 55.67 C ATOM 1314 CD2 PHE A 131 9.809 -20.029 -37.909 1.00 59.02 C ATOM 1315 CE1 PHE A 131 9.821 -21.102 -35.349 1.00 54.92 C ATOM 1316 CE2 PHE A 131 9.997 -19.185 -36.811 1.00 55.29 C ATOM 1317 CZ PHE A 131 10.004 -19.721 -35.525 1.00 53.33 C ATOM 1318 H PHE A 131 9.045 -24.239 -40.560 1.00 0.00 H ATOM 1319 N ARG A 132 6.352 -22.503 -39.685 1.00 66.01 N ATOM 1320 CA ARG A 132 4.977 -22.018 -39.639 1.00 62.52 C ATOM 1321 C ARG A 132 4.069 -23.055 -38.998 1.00 58.04 C ATOM 1322 O ARG A 132 3.178 -22.711 -38.216 1.00 57.20 O ATOM 1323 CB ARG A 132 4.484 -21.647 -41.041 1.00 60.75 C ATOM 1324 CG ARG A 132 2.973 -21.727 -41.195 1.00 60.50 C ATOM 1325 CD ARG A 132 2.433 -20.962 -42.398 1.00 64.97 C ATOM 1326 NE ARG A 132 3.210 -21.177 -43.621 1.00 68.58 N ATOM 1327 CZ ARG A 132 3.093 -22.233 -44.417 1.00 66.08 C ATOM 1328 NH1 ARG A 132 3.851 -22.321 -45.499 1.00 67.24 N ATOM 1329 NH2 ARG A 132 2.222 -23.191 -44.132 1.00 64.73 N ATOM 1330 HE ARG A 132 3.904 -20.449 -43.885 1.00 0.00 H ATOM 1331 HH12 ARG A 132 3.766 -23.145 -46.128 1.00 0.00 H ATOM 1332 HH11 ARG A 132 4.532 -21.566 -45.720 1.00 0.00 H ATOM 1333 HH22 ARG A 132 2.134 -24.017 -44.758 1.00 0.00 H ATOM 1334 HH21 ARG A 132 1.627 -23.117 -43.282 1.00 0.00 H ATOM 1335 H ARG A 132 6.832 -22.616 -40.600 1.00 0.00 H ATOM 1336 N ARG A 133 4.304 -24.333 -39.292 1.00 61.68 N ATOM 1337 CA ARG A 133 3.532 -25.395 -38.656 1.00 64.84 C ATOM 1338 C ARG A 133 3.629 -25.317 -37.136 1.00 58.58 C ATOM 1339 O ARG A 133 2.621 -25.483 -36.435 1.00 57.31 O ATOM 1340 CB ARG A 133 4.011 -26.761 -39.168 1.00 72.98 C ATOM 1341 CG ARG A 133 3.158 -27.986 -38.780 1.00 76.00 C ATOM 1342 CD ARG A 133 3.472 -29.188 -39.701 1.00 76.24 C ATOM 1343 NE ARG A 133 3.614 -28.795 -41.112 1.00 87.95 N ATOM 1344 CZ ARG A 133 2.606 -28.686 -41.985 1.00 89.65 C ATOM 1345 NH1 ARG A 133 2.839 -28.309 -43.246 1.00 84.87 N ATOM 1346 NH2 ARG A 133 1.363 -28.947 -41.601 1.00 89.22 N ATOM 1347 HE ARG A 133 4.572 -28.586 -41.457 1.00 0.00 H ATOM 1348 HH12 ARG A 133 2.050 -28.227 -43.918 1.00 0.00 H ATOM 1349 HH11 ARG A 133 3.809 -28.098 -43.555 1.00 0.00 H ATOM 1350 HH22 ARG A 133 0.580 -28.862 -42.280 1.00 0.00 H ATOM 1351 HH21 ARG A 133 1.172 -29.237 -40.621 1.00 0.00 H ATOM 1352 H ARG A 133 5.044 -24.576 -39.981 1.00 0.00 H ATOM 1353 N LYS A 134 4.827 -25.039 -36.600 1.00 54.93 N ATOM 1354 CA LYS A 134 4.916 -25.060 -35.140 1.00 57.28 C ATOM 1355 C LYS A 134 4.466 -23.737 -34.528 1.00 51.78 C ATOM 1356 O LYS A 134 3.822 -23.736 -33.474 1.00 51.21 O ATOM 1357 CB LYS A 134 6.324 -25.447 -34.670 1.00 46.73 C ATOM 1358 CG LYS A 134 7.449 -24.989 -35.555 1.00 57.42 C ATOM 1359 CD LYS A 134 8.739 -25.680 -35.178 1.00 49.23 C ATOM 1360 CE LYS A 134 8.531 -27.162 -35.008 1.00 42.88 C ATOM 1361 NZ LYS A 134 9.866 -27.791 -34.900 1.00 53.28 N ATOM 1362 HZ1 LYS A 134 10.410 -27.597 -35.765 1.00 0.00 H ATOM 1363 HZ2 LYS A 134 10.368 -27.398 -34.078 1.00 0.00 H ATOM 1364 HZ3 LYS A 134 9.755 -28.818 -34.781 1.00 0.00 H ATOM 1365 H LYS A 134 5.652 -24.819 -37.194 1.00 0.00 H ATOM 1366 N LEU A 135 4.731 -22.615 -35.198 1.00 51.06 N ATOM 1367 CA LEU A 135 4.170 -21.346 -34.754 1.00 46.97 C ATOM 1368 C LEU A 135 2.663 -21.435 -34.598 1.00 52.38 C ATOM 1369 O LEU A 135 2.098 -20.881 -33.653 1.00 58.11 O ATOM 1370 CB LEU A 135 4.518 -20.232 -35.734 1.00 45.85 C ATOM 1371 CG LEU A 135 5.944 -19.698 -35.758 1.00 51.04 C ATOM 1372 CD1 LEU A 135 6.071 -18.621 -36.829 1.00 52.06 C ATOM 1373 CD2 LEU A 135 6.354 -19.148 -34.416 1.00 41.53 C ATOM 1374 H LEU A 135 5.340 -22.646 -36.040 1.00 0.00 H ATOM 1375 N LEU A 136 1.988 -22.124 -35.512 1.00 57.66 N ATOM 1376 CA LEU A 136 0.539 -22.197 -35.380 1.00 57.63 C ATOM 1377 C LEU A 136 0.084 -23.238 -34.361 1.00 60.49 C ATOM 1378 O LEU A 136 -1.124 -23.407 -34.171 1.00 64.14 O ATOM 1379 CB LEU A 136 -0.078 -22.448 -36.751 1.00 55.82 C ATOM 1380 CG LEU A 136 0.241 -21.260 -37.666 1.00 53.63 C ATOM 1381 CD1 LEU A 136 -0.095 -21.590 -39.111 1.00 57.22 C ATOM 1382 CD2 LEU A 136 -0.519 -20.040 -37.193 1.00 53.33 C ATOM 1383 H LEU A 136 2.479 -22.597 -36.298 1.00 0.00 H ATOM 1384 N LYS A 137 1.029 -23.907 -33.696 1.00 66.44 N ATOM 1385 CA LYS A 137 0.802 -24.838 -32.580 1.00 63.32 C ATOM 1386 C LYS A 137 0.153 -26.114 -33.042 1.00 61.07 C ATOM 1387 O LYS A 137 0.856 -27.085 -33.300 1.00 65.25 O ATOM 1388 CB LYS A 137 -0.030 -24.197 -31.466 1.00 59.38 C ATOM 1389 CG LYS A 137 0.552 -22.902 -30.973 1.00 66.32 C ATOM 1390 CD LYS A 137 0.104 -22.625 -29.565 1.00 71.34 C ATOM 1391 CE LYS A 137 0.118 -21.141 -29.264 1.00 71.92 C ATOM 1392 NZ LYS A 137 -0.814 -20.446 -30.178 1.00 66.38 N ATOM 1393 HZ1 LYS A 137 -0.516 -20.604 -31.162 1.00 0.00 H ATOM 1394 HZ2 LYS A 137 -1.775 -20.820 -30.041 1.00 0.00 H ATOM 1395 HZ3 LYS A 137 -0.805 -19.427 -29.972 1.00 0.00 H ATOM 1396 H LYS A 137 2.014 -23.756 -33.994 1.00 0.00 H TER 1397 LYS A 137 HETATM 1398 O HOH 1 4.511 -20.160 -54.865 1.00 65.71 O HETATM 1399 O HOH 2 5.997 -7.852 -34.416 1.00 47.30 O HETATM 1400 O HOH 3 -3.172 -8.893 -27.485 1.00 60.04 O HETATM 1401 O HOH 4 17.888 -24.063 -34.857 1.00 59.99 O HETATM 1402 O HOH 5 22.929 -21.200 -24.582 1.00 43.43 O HETATM 1403 O HOH 6 11.357 -17.132 -44.208 1.00 57.26 O HETATM 1404 O HOH 7 21.044 -21.964 -16.641 1.00 42.07 O HETATM 1405 O HOH 8 24.110 -8.639 -22.862 1.00 51.84 O HETATM 1406 O HOH 9 0.876 -13.268 -13.505 1.00 44.96 O HETATM 1407 O HOH 10 7.145 -20.123 -19.149 1.00 32.95 O HETATM 1408 O HOH 11 9.880 1.890 -4.364 1.00 36.95 O HETATM 1409 O HOH 12 14.067 -31.676 -20.708 1.00 31.42 O HETATM 1410 O HOH 13 11.095 -4.504 -19.191 1.00 40.37 O HETATM 1411 O HOH 14 3.669 -10.491 -13.429 1.00 35.72 O HETATM 1412 O HOH 15 7.725 -5.826 -1.299 1.00 33.03 O HETATM 1413 O HOH 16 -0.517 -10.665 -23.810 1.00 50.16 O HETATM 1414 O HOH 17 18.401 -8.056 -7.469 1.00 34.33 O HETATM 1415 O HOH 18 9.611 -4.555 -16.477 1.00 36.47 O HETATM 1416 O HOH 19 4.722 -15.831 -8.833 1.00 48.37 O HETATM 1417 O HOH 20 3.662 -4.002 -9.986 1.00 28.06 O HETATM 1418 O HOH 21 3.952 -9.762 -6.569 1.00 33.32 O HETATM 1419 O HOH 22 2.085 -4.605 -15.711 1.00 35.31 O HETATM 1420 O HOH 23 14.989 -20.501 -10.522 1.00 27.28 O HETATM 1421 O HOH 24 9.251 -4.944 -4.537 1.00 32.93 O HETATM 1422 O HOH 25 16.118 -21.109 -14.391 1.00 35.03 O HETATM 1423 O HOH 26 -0.716 -13.051 -31.982 1.00 48.28 O HETATM 1424 O HOH 27 1.740 -11.690 -51.876 1.00 55.20 O HETATM 1425 O HOH 28 9.062 4.619 1.726 1.00 43.50 O HETATM 1426 O HOH 29 21.006 -4.412 2.367 1.00 42.82 O HETATM 1427 O HOH 30 8.189 -3.695 -2.489 1.00 32.68 O HETATM 1428 O HOH 31 9.711 -26.894 -44.220 1.00 71.89 O HETATM 1429 O HOH 32 0.822 -24.593 -41.727 1.00 63.92 O HETATM 1430 O HOH 33 1.485 -10.123 -25.635 1.00 49.49 O HETATM 1431 O HOH 34 12.132 -15.793 -5.417 1.00 29.55 O HETATM 1432 O HOH 35 30.597 -12.022 -9.655 1.00 57.34 O HETATM 1433 O HOH 36 10.689 -12.649 -40.450 1.00 49.78 O HETATM 1434 O HOH 37 17.536 -19.913 -11.363 1.00 30.00 O HETATM 1435 O HOH 38 14.075 -21.791 -12.244 1.00 35.57 O HETATM 1436 O HOH 39 14.216 -1.500 1.078 1.00 42.50 O HETATM 1437 O HOH 40 9.767 -23.315 -8.326 1.00 36.25 O HETATM 1438 O HOH 41 13.986 -17.010 -4.148 1.00 39.11 O HETATM 1439 O HOH 42 4.549 -17.627 -14.460 1.00 33.18 O HETATM 1440 O HOH 43 13.309 -24.807 -16.258 1.00 39.71 O HETATM 1441 O HOH 44 8.712 2.263 5.027 1.00 41.16 O HETATM 1442 O HOH 45 3.812 -3.202 -12.545 1.00 42.06 O HETATM 1443 O HOH 46 27.601 -7.989 2.755 1.00 46.37 O HETATM 1444 O HOH 47 2.161 -11.047 -45.298 1.00 52.28 O HETATM 1445 O HOH 48 -2.602 -13.845 -19.040 1.00 49.29 O HETATM 1446 O HOH 49 5.151 -2.445 -19.979 1.00 46.49 O HETATM 1447 O HOH 50 9.576 -15.023 -6.105 1.00 35.10 O HETATM 1448 O HOH 51 7.855 -12.877 -5.642 1.00 34.53 O HETATM 1449 O HOH 52 9.330 -23.954 -10.380 1.00 30.34 O HETATM 1450 O HOH 53 -1.927 -17.659 -13.459 1.00 59.20 O HETATM 1451 O HOH 54 -1.052 -29.862 -29.129 1.00 56.94 O HETATM 1452 O HOH 55 14.454 1.324 -18.589 1.00 47.01 O HETATM 1453 O HOH 56 25.671 -15.738 -3.551 1.00 41.46 O HETATM 1454 O HOH 57 16.406 -1.062 -1.031 1.00 37.80 O HETATM 1455 O HOH 58 20.548 -1.649 -0.121 1.00 43.04 O HETATM 1456 O HOH 59 5.491 -19.148 -16.220 1.00 37.10 O HETATM 1457 O HOH 60 17.288 0.885 1.433 1.00 46.61 O HETATM 1458 O HOH 61 27.470 -3.408 -17.027 1.00 64.91 O HETATM 1459 O HOH 62 17.545 1.091 -2.362 1.00 38.44 O HETATM 1460 O HOH 63 24.064 -2.010 -17.873 1.00 64.76 O HETATM 1461 O HOH 64 12.781 5.761 -8.692 1.00 44.27 O HETATM 1462 N GLN A 65 11.250 3.546 -6.407 1.00 0.24 N HETATM 1463 CA GLN A 65 11.873 2.234 -6.519 1.00 0.07 C HETATM 1464 C GLN A 65 13.289 2.214 -5.939 1.00 0.23 C HETATM 1465 O GLN A 65 13.886 3.271 -5.711 1.00 -0.39 O HETATM 1466 N GLN A 65 13.826 1.014 -5.707 1.00 -0.26 N HETATM 1467 CA GLN A 65 15.095 0.851 -5.008 1.00 0.16 C HETATM 1468 C GLN A 65 16.262 1.379 -5.858 1.00 0.21 C HETATM 1469 O GLN A 65 16.082 1.966 -6.936 1.00 -0.39 O HETATM 1470 N GLN A 65 17.482 1.191 -5.339 1.00 -0.26 N HETATM 1471 CA GLN A 65 18.693 1.460 -6.104 1.00 0.13 C HETATM 1472 C GLN A 65 18.764 0.555 -7.327 1.00 0.20 C HETATM 1473 O GLN A 65 18.176 -0.535 -7.361 1.00 -0.39 O HETATM 1474 N GLN A 65 19.553 0.981 -8.316 1.00 -0.26 N HETATM 1475 CA GLN A 65 19.881 0.100 -9.446 1.00 0.13 C HETATM 1476 C GLN A 65 21.388 -0.123 -9.595 1.00 0.20 C HETATM 1477 O GLN A 65 22.182 0.732 -9.206 1.00 -0.39 O HETATM 1478 N GLN A 65 21.550 -1.407 -10.153 1.00 -0.26 N HETATM 1479 CA GLN A 65 23.010 -1.570 -10.292 1.00 0.13 C HETATM 1480 CB GLN A 65 23.446 -2.856 -9.602 1.00 -0.01 C HETATM 1481 CG GLN A 65 22.329 -3.892 -9.619 1.00 -0.05 C HETATM 1482 CD GLN A 65 22.849 -5.264 -9.207 1.00 -0.03 C HETATM 1483 CE GLN A 65 21.828 -6.000 -8.348 1.00 0.03 C HETATM 1484 NZ GLN A 65 22.506 -7.211 -7.910 1.00 -0.29 N HETATM 1485 CH GLN A 65 22.057 -8.111 -7.040 1.00 0.18 C HETATM 1486 OH GLN A 65 20.974 -8.016 -6.485 1.00 -0.40 O HETATM 1487 CX GLN A 65 22.942 -9.258 -6.764 1.00 -0.00 C HETATM 1488 CY GLN A 65 22.440 -10.374 -6.242 1.00 -0.06 C HETATM 1489 CH3 GLN A 65 23.346 -11.548 -5.959 1.00 -0.03 C HETATM 1490 H49 GLN A 65 22.756 -12.372 -5.533 1.00 0.05 H HETATM 1491 H50 GLN A 65 24.125 -11.246 -5.243 1.00 0.05 H HETATM 1492 H51 GLN A 65 23.818 -11.881 -6.895 1.00 0.05 H HETATM 1493 H48 GLN A 65 21.376 -10.441 -6.019 1.00 0.08 H HETATM 1494 H47 GLN A 65 24.006 -9.191 -6.987 1.00 0.05 H HETATM 1495 H46 GLN A 65 23.407 -7.385 -8.306 1.00 0.18 H HETATM 1496 H44 GLN A 65 20.934 -6.250 -8.939 1.00 0.05 H HETATM 1497 H45 GLN A 65 21.536 -5.386 -7.483 1.00 0.05 H HETATM 1498 H42 GLN A 65 23.779 -5.139 -8.633 1.00 0.03 H HETATM 1499 H43 GLN A 65 23.053 -5.857 -10.110 1.00 0.03 H HETATM 1500 H40 GLN A 65 21.913 -3.956 -10.635 1.00 0.03 H HETATM 1501 H41 GLN A 65 21.540 -3.581 -8.918 1.00 0.03 H HETATM 1502 H38 GLN A 65 23.712 -2.632 -8.559 1.00 0.03 H HETATM 1503 H39 GLN A 65 24.323 -3.265 -10.125 1.00 0.03 H HETATM 1504 C GLN A 65 23.372 -1.637 -11.756 1.00 0.20 C HETATM 1505 O GLN A 65 22.518 -1.871 -12.595 1.00 -0.39 O HETATM 1506 N GLN A 65 24.568 -1.326 -12.179 1.00 -0.27 N HETATM 1507 CA GLN A 65 24.941 -1.383 -13.589 1.00 0.12 C HETATM 1508 C GLN A 65 26.045 -2.412 -13.806 1.00 0.06 C HETATM 1509 O GLN A 65 26.056 -3.116 -14.817 1.00 -0.57 O HETATM 1510 OXT GLN A 65 26.942 -2.554 -12.973 1.00 -0.57 O HETATM 1511 CB GLN A 65 25.387 -0.009 -14.092 1.00 0.08 C HETATM 1512 OG GLN A 65 25.492 0.012 -15.507 1.00 -0.39 O HETATM 1513 H56 GLN A 65 25.770 0.875 -15.790 1.00 0.21 H HETATM 1514 H54 GLN A 65 26.368 0.231 -13.656 1.00 0.06 H HETATM 1515 H55 GLN A 65 24.651 0.745 -13.776 1.00 0.06 H HETATM 1516 H53 GLN A 65 24.058 -1.693 -14.168 1.00 0.07 H HETATM 1517 H52 GLN A 65 25.254 -1.038 -11.511 1.00 0.19 H HETATM 1518 H37 GLN A 65 23.520 -0.714 -9.827 1.00 0.08 H HETATM 1519 H36 GLN A 65 20.835 -2.061 -10.400 1.00 0.19 H HETATM 1520 CB GLN A 65 19.332 0.678 -10.735 1.00 -0.01 C HETATM 1521 CG GLN A 65 18.105 1.497 -10.513 1.00 -0.02 C HETATM 1522 CD GLN A 65 16.990 0.827 -11.156 1.00 0.06 C HETATM 1523 NE GLN A 65 17.403 0.427 -12.493 1.00 -0.27 N HETATM 1524 CZ GLN A 65 16.651 -0.322 -13.280 1.00 0.29 C HETATM 1525 NH1 GLN A 65 15.466 -0.745 -12.852 1.00 -0.28 N HETATM 1526 H32 GLN A 65 14.877 -1.329 -13.462 1.00 0.26 H HETATM 1527 H33 GLN A 65 15.137 -0.489 -11.910 1.00 0.26 H HETATM 1528 NH2 GLN A 65 17.077 -0.645 -14.480 1.00 -0.28 N HETATM 1529 H34 GLN A 65 17.996 -0.314 -14.806 1.00 0.26 H HETATM 1530 H35 GLN A 65 16.492 -1.229 -15.094 1.00 0.26 H HETATM 1531 H31 GLN A 65 18.320 0.741 -12.841 1.00 0.26 H HETATM 1532 H29 GLN A 65 16.133 1.513 -11.222 1.00 0.07 H HETATM 1533 H30 GLN A 65 16.705 -0.062 -10.574 1.00 0.07 H HETATM 1534 H27 GLN A 65 18.241 2.497 -10.950 1.00 0.03 H HETATM 1535 H28 GLN A 65 17.911 1.592 -9.434 1.00 0.03 H HETATM 1536 H25 GLN A 65 19.086 -0.149 -11.417 1.00 0.03 H HETATM 1537 H26 GLN A 65 20.103 1.314 -11.194 1.00 0.03 H HETATM 1538 H24 GLN A 65 19.405 -0.875 -9.267 1.00 0.08 H HETATM 1539 H23 GLN A 65 19.925 1.909 -8.288 1.00 0.19 H HETATM 1540 CB GLN A 65 19.921 1.209 -5.246 1.00 -0.02 C HETATM 1541 H20 GLN A 65 20.828 1.415 -5.834 1.00 0.03 H HETATM 1542 H21 GLN A 65 19.929 0.160 -4.915 1.00 0.03 H HETATM 1543 H22 GLN A 65 19.896 1.870 -4.367 1.00 0.03 H HETATM 1544 H19 GLN A 65 18.684 2.511 -6.429 1.00 0.08 H HETATM 1545 H18 GLN A 65 17.564 0.857 -4.400 1.00 0.19 H HETATM 1546 CB GLN A 65 15.340 -0.621 -4.652 1.00 0.09 C HETATM 1547 OG1 GLN A 65 15.620 -1.386 -5.844 1.00 -0.39 O HETATM 1548 H14 GLN A 65 16.395 -1.036 -6.269 1.00 0.21 H HETATM 1549 CG2 GLN A 65 14.143 -1.252 -3.918 1.00 -0.03 C HETATM 1550 H15 GLN A 65 14.368 -2.304 -3.686 1.00 0.03 H HETATM 1551 H16 GLN A 65 13.251 -1.201 -4.560 1.00 0.03 H HETATM 1552 H17 GLN A 65 13.955 -0.703 -2.984 1.00 0.03 H HETATM 1553 H13 GLN A 65 16.216 -0.670 -3.989 1.00 0.06 H HETATM 1554 H12 GLN A 65 15.052 1.433 -4.075 1.00 0.08 H HETATM 1555 H11 GLN A 65 13.341 0.199 -6.024 1.00 0.19 H HETATM 1556 CB GLN A 65 11.885 1.781 -7.980 1.00 0.02 C HETATM 1557 CG GLN A 65 12.859 2.494 -8.845 1.00 0.04 C HETATM 1558 CD GLN A 65 13.016 1.796 -10.167 1.00 0.17 C HETATM 1559 OE1 GLN A 65 13.902 0.960 -10.339 1.00 -0.40 O HETATM 1560 NE2 GLN A 65 12.147 2.125 -11.114 1.00 -0.30 N HETATM 1561 H9 GLN A 65 12.202 1.694 -12.014 1.00 0.18 H HETATM 1562 H10 GLN A 65 11.437 2.804 -10.927 1.00 0.18 H HETATM 1563 H7 GLN A 65 13.834 2.527 -8.337 1.00 0.05 H HETATM 1564 H8 GLN A 65 12.502 3.520 -9.020 1.00 0.05 H HETATM 1565 H5 GLN A 65 10.879 1.939 -8.396 1.00 0.04 H HETATM 1566 H6 GLN A 65 12.127 0.708 -8.004 1.00 0.04 H HETATM 1567 H4 GLN A 65 11.264 1.521 -5.943 1.00 0.11 H HETATM 1568 H1 GLN A 65 10.322 3.512 -6.800 1.00 0.20 H HETATM 1569 H2 GLN A 65 11.803 4.224 -6.908 1.00 0.20 H HETATM 1570 H3 GLN A 65 11.194 3.809 -5.436 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1462 1463 1568 1569 1570 CONECT 1463 1462 1464 1556 1567 CONECT 1464 1463 1465 1466 CONECT 1465 1464 CONECT 1466 1464 1467 1555 CONECT 1467 1466 1468 1546 1554 CONECT 1468 1467 1469 1470 CONECT 1469 1468 CONECT 1470 1468 1471 1545 CONECT 1471 1470 1472 1540 1544 CONECT 1472 1471 1473 1474 CONECT 1473 1472 CONECT 1474 1472 1475 1539 CONECT 1475 1474 1476 1520 1538 CONECT 1476 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 1479 1519 CONECT 1479 1478 1480 1504 1518 CONECT 1480 1479 1481 1502 1503 CONECT 1481 1480 1482 1500 1501 CONECT 1482 1481 1483 1498 1499 CONECT 1483 1482 1484 1496 1497 CONECT 1484 1483 1485 1495 CONECT 1485 1484 1486 1487 CONECT 1486 1485 CONECT 1487 1485 1488 1494 CONECT 1488 1487 1489 1493 CONECT 1489 1488 1490 1491 1492 CONECT 1490 1489 CONECT 1491 1489 CONECT 1492 1489 CONECT 1493 1488 CONECT 1494 1487 CONECT 1495 1484 CONECT 1496 1483 CONECT 1497 1483 CONECT 1498 1482 CONECT 1499 1482 CONECT 1500 1481 CONECT 1501 1481 CONECT 1502 1480 CONECT 1503 1480 CONECT 1504 1479 1505 1506 CONECT 1505 1504 CONECT 1506 1504 1507 1517 CONECT 1507 1506 1508 1511 1516 CONECT 1508 1507 1509 1510 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1507 1512 1514 1515 CONECT 1512 1511 1513 CONECT 1513 1512 CONECT 1514 1511 CONECT 1515 1511 CONECT 1516 1507 CONECT 1517 1506 CONECT 1518 1479 CONECT 1519 1478 CONECT 1520 1475 1521 1536 1537 CONECT 1521 1520 1522 1534 1535 CONECT 1522 1521 1523 1532 1533 CONECT 1523 1522 1524 1531 CONECT 1524 1523 1525 1528 CONECT 1525 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1524 1529 1530 CONECT 1529 1528 CONECT 1530 1528 CONECT 1531 1523 CONECT 1532 1522 CONECT 1533 1522 CONECT 1534 1521 CONECT 1535 1521 CONECT 1536 1520 CONECT 1537 1520 CONECT 1538 1475 CONECT 1539 1474 CONECT 1540 1471 1541 1542 1543 CONECT 1541 1540 CONECT 1542 1540 CONECT 1543 1540 CONECT 1544 1471 CONECT 1545 1470 CONECT 1546 1467 1547 1549 1553 CONECT 1547 1546 1548 CONECT 1548 1547 CONECT 1549 1546 1550 1551 1552 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1549 CONECT 1553 1546 CONECT 1554 1467 CONECT 1555 1466 CONECT 1556 1463 1557 1565 1566 CONECT 1557 1556 1558 1563 1564 CONECT 1558 1557 1559 1560 CONECT 1559 1558 CONECT 1560 1558 1561 1562 CONECT 1561 1560 CONECT 1562 1560 CONECT 1563 1557 CONECT 1564 1557 CONECT 1565 1556 CONECT 1566 1556 CONECT 1567 1463 CONECT 1568 1462 CONECT 1569 1462 CONECT 1570 1462 MASTER 0 0 0 0 0 0 0 0 1569 1 113 11 END
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PDBbind
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PDBbind
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PDBbind
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4nmv
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PDBbind
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PDBbind
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PDBbind
10-mer
4qok
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4rqz
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PDBbind
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PDBbind
10-mer
4v11
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PDBbind
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4wj5
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PDBbind
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4z0u
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PDBbind
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4zhm
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5aei
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5c0m
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10-mer
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10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
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PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
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PDBbind
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6a8n
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Entry Information
PDB ID
6mim
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
AF9 YEATS domain Y78W
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
2.53(Å)
Affinity (Kd/Ki/IC50)
Kd=2.0uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 4574-4574
Ligand Properties
Formula
C
3
1
H
5
7
N
1
1
O
1
1
Molecular Weight
759.851
Exact Mass
759.424
No. of atoms
110
No. of bonds
109
Polar Surface Area
389.1
LOGP Value
-4.46 (
Computed with XLOGP3
)
-3.79 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 0
Canonical SMILES
C/C=C/C(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)N)[NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C31H55N11O11/c1-4-8-23(46)36-13-6-5-9-19(28(50)41-21(15-43)30(52)53)40-27(49)20(10-7-14-37-31(34)35)39-25(47)16(2)38-29(51)24(17(3)44)42-26(48)18(32)11-12-22(33)45/h4,8,16-21,24,43-44H,5-7,9-15,32H2,1-3H3,(H2,33,45)(H,36,46)(H,38,51)(H,39,47)(H,40,49)(H,41,50)(H,42,48)(H,52,53)(H4,34,35,37)/p+2/b8-4+/t16-,17+,18-,19-,20-,21-,24-/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):
P42568
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
4300
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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