Browse entries in the PDBbind-CN Database
HEADER 2MOV_COMPLEX COMPND 2MOV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 GLY SER ALA GLN ASN ILE THR ALA ARG ILE GLY GLU PRO SEQRES 2 A 105 LEU VAL LEU LYS CYS LYS GLY ALA PRO LYS LYS PRO PRO SEQRES 3 A 105 GLN ARG LEU GLU TRP LYS LEU ASN THR GLY ARG THR GLU SEQRES 4 A 105 ALA TRP LYS VAL LEU SER PRO GLN GLY GLY GLY PRO TRP SEQRES 5 A 105 ASP SER VAL ALA ARG VAL LEU PRO ASN GLY SER LEU PHE SEQRES 6 A 105 LEU PRO ALA VAL GLY ILE GLN ASP GLU GLY ILE PHE ARG SEQRES 7 A 105 CYS GLN ALA MET ASN ARG ASN GLY LYS GLU THR LYS SER SEQRES 8 A 105 ASN TYR ARG VAL ARG VAL TYR GLN ILE PRO GLY LYS PRO SEQRES 9 A 105 GLU HET IOR A 106 35 SSBOND 1 CYS A 18 CYS A 79 ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 3.437 -0.644 -1.111 1.00 14.45 C ATOM 4 O GLY A 1 4.459 0.041 -1.132 1.00 0.52 O ATOM 5 HN3 GLY A 1 1.864 0.528 0.720 1.00 0.00 H ATOM 6 HN2 GLY A 1 1.192 -0.980 0.319 1.00 0.00 H ATOM 7 HN1 GLY A 1 0.405 0.452 -0.148 1.00 0.00 H ATOM 8 N SER A 2 3.454 -1.965 -0.968 1.00 73.11 N ATOM 9 CA SER A 2 4.703 -2.702 -0.822 1.00 5.05 C ATOM 10 C SER A 2 4.439 -4.198 -0.683 1.00 71.10 C ATOM 11 O SER A 2 3.960 -4.662 0.351 1.00 1.34 O ATOM 12 CB SER A 2 5.479 -2.195 0.396 1.00 43.13 C ATOM 13 OG SER A 2 6.472 -1.259 0.014 1.00 41.32 O ATOM 14 HG SER A 2 6.042 -0.487 -0.432 1.00 0.00 H ATOM 15 H SER A 2 2.554 -2.486 -0.960 1.00 0.00 H ATOM 16 N ALA A 3 4.754 -4.948 -1.734 1.00 24.12 N ATOM 17 CA ALA A 3 4.553 -6.392 -1.730 1.00 43.20 C ATOM 18 C ALA A 3 3.131 -6.747 -1.309 1.00 42.24 C ATOM 19 O ALA A 3 2.908 -7.255 -0.211 1.00 3.52 O ATOM 20 CB ALA A 3 5.561 -7.063 -0.809 1.00 3.33 C ATOM 21 H ALA A 3 5.154 -4.494 -2.580 1.00 0.00 H ATOM 22 N GLN A 4 2.173 -6.476 -2.190 1.00 44.51 N ATOM 23 CA GLN A 4 0.773 -6.766 -1.908 1.00 55.40 C ATOM 24 C GLN A 4 0.384 -8.142 -2.438 1.00 23.13 C ATOM 25 O GLN A 4 0.734 -8.508 -3.559 1.00 4.41 O ATOM 26 CB GLN A 4 -0.127 -5.695 -2.528 1.00 62.05 C ATOM 27 CG GLN A 4 -1.597 -5.859 -2.180 1.00 74.33 C ATOM 28 CD GLN A 4 -1.813 -6.266 -0.736 1.00 33.40 C ATOM 29 OE1 GLN A 4 -1.163 -5.746 0.171 1.00 35.14 O ATOM 30 NE2 GLN A 4 -2.730 -7.201 -0.515 1.00 21.42 N ATOM 31 HE22 GLN A 4 -3.255 -7.613 -1.312 1.00 0.00 H ATOM 32 HE21 GLN A 4 -2.923 -7.521 0.455 1.00 0.00 H ATOM 33 H GLN A 4 2.429 -6.047 -3.102 1.00 0.00 H ATOM 34 N ASN A 5 -0.341 -8.901 -1.623 1.00 20.32 N ATOM 35 CA ASN A 5 -0.776 -10.239 -2.009 1.00 51.53 C ATOM 36 C ASN A 5 -2.076 -10.179 -2.805 1.00 52.33 C ATOM 37 O ASN A 5 -3.091 -9.680 -2.318 1.00 54.15 O ATOM 38 CB ASN A 5 -0.964 -11.115 -0.769 1.00 52.41 C ATOM 39 CG ASN A 5 -2.101 -10.633 0.112 1.00 61.22 C ATOM 40 OD1 ASN A 5 -3.228 -11.118 0.010 1.00 1.11 O ATOM 41 ND2 ASN A 5 -1.809 -9.674 0.983 1.00 62.23 N ATOM 42 HD22 ASN A 5 -0.842 -9.294 1.034 1.00 0.00 H ATOM 43 HD21 ASN A 5 -2.547 -9.303 1.614 1.00 0.00 H ATOM 44 H ASN A 5 -0.605 -8.532 -0.687 1.00 0.00 H ATOM 45 N ILE A 6 -2.037 -10.691 -4.031 1.00 13.41 N ATOM 46 CA ILE A 6 -3.212 -10.697 -4.893 1.00 53.13 C ATOM 47 C ILE A 6 -3.516 -12.103 -5.399 1.00 23.22 C ATOM 48 O ILE A 6 -2.678 -12.739 -6.040 1.00 75.21 O ATOM 49 CB ILE A 6 -3.030 -9.758 -6.100 1.00 43.13 C ATOM 50 CG1 ILE A 6 -2.860 -8.312 -5.629 1.00 33.34 C ATOM 51 CG2 ILE A 6 -4.214 -9.876 -7.047 1.00 75.45 C ATOM 52 CD1 ILE A 6 -4.084 -7.756 -4.935 1.00 51.43 C ATOM 53 H ILE A 6 -1.147 -11.097 -4.383 1.00 0.00 H ATOM 54 N THR A 7 -4.720 -12.584 -5.107 1.00 55.03 N ATOM 55 CA THR A 7 -5.136 -13.915 -5.532 1.00 43.34 C ATOM 56 C THR A 7 -5.930 -13.854 -6.832 1.00 50.20 C ATOM 57 O THR A 7 -6.768 -12.972 -7.018 1.00 4.43 O ATOM 58 CB THR A 7 -5.990 -14.608 -4.454 1.00 43.01 C ATOM 59 OG1 THR A 7 -6.685 -13.628 -3.675 1.00 22.12 O ATOM 60 CG2 THR A 7 -5.122 -15.464 -3.544 1.00 62.33 C ATOM 61 HG1 THR A 7 -7.231 -14.083 -2.985 1.00 0.00 H ATOM 62 H THR A 7 -5.382 -11.996 -4.562 1.00 0.00 H ATOM 63 N ALA A 8 -5.662 -14.797 -7.729 1.00 30.53 N ATOM 64 CA ALA A 8 -6.354 -14.852 -9.010 1.00 73.22 C ATOM 65 C ALA A 8 -6.499 -16.291 -9.495 1.00 43.32 C ATOM 66 O ALA A 8 -5.863 -17.201 -8.964 1.00 61.52 O ATOM 67 CB ALA A 8 -5.616 -14.016 -10.045 1.00 11.10 C ATOM 68 H ALA A 8 -4.940 -15.514 -7.511 1.00 0.00 H ATOM 69 N ARG A 9 -7.339 -16.488 -10.506 1.00 22.01 N ATOM 70 CA ARG A 9 -7.568 -17.817 -11.061 1.00 3.42 C ATOM 71 C ARG A 9 -7.215 -17.854 -12.545 1.00 33.10 C ATOM 72 O ARG A 9 -7.363 -16.858 -13.253 1.00 52.33 O ATOM 73 CB ARG A 9 -9.027 -18.231 -10.861 1.00 63.45 C ATOM 74 CG ARG A 9 -9.236 -19.182 -9.694 1.00 64.01 C ATOM 75 CD ARG A 9 -9.747 -18.449 -8.463 1.00 65.25 C ATOM 76 NE ARG A 9 -10.479 -19.336 -7.563 1.00 52.24 N ATOM 77 CZ ARG A 9 -11.117 -18.916 -6.476 1.00 42.24 C ATOM 78 NH1 ARG A 9 -11.112 -17.629 -6.157 1.00 31.25 N ATOM 79 NH2 ARG A 9 -11.762 -19.784 -5.707 1.00 45.30 N ATOM 80 HE ARG A 9 -10.502 -20.352 -7.785 1.00 0.00 H ATOM 81 HH12 ARG A 9 -11.612 -17.302 -5.306 1.00 0.00 H ATOM 82 HH11 ARG A 9 -10.608 -16.946 -6.758 1.00 0.00 H ATOM 83 HH22 ARG A 9 -12.261 -19.454 -4.856 1.00 0.00 H ATOM 84 HH21 ARG A 9 -11.768 -20.794 -5.955 1.00 0.00 H ATOM 85 H ARG A 9 -7.845 -15.675 -10.911 1.00 0.00 H ATOM 86 N ILE A 10 -6.749 -19.009 -13.008 1.00 4.21 N ATOM 87 CA ILE A 10 -6.376 -19.176 -14.407 1.00 41.42 C ATOM 88 C ILE A 10 -7.513 -18.755 -15.333 1.00 24.33 C ATOM 89 O ILE A 10 -8.616 -19.295 -15.262 1.00 51.53 O ATOM 90 CB ILE A 10 -5.989 -20.634 -14.717 1.00 13.12 C ATOM 91 CG1 ILE A 10 -4.766 -21.045 -13.896 1.00 25.32 C ATOM 92 CG2 ILE A 10 -5.718 -20.806 -16.204 1.00 13.40 C ATOM 93 CD1 ILE A 10 -4.691 -22.532 -13.626 1.00 44.14 C ATOM 94 H ILE A 10 -6.648 -19.813 -12.356 1.00 0.00 H ATOM 95 N GLY A 11 -7.234 -17.789 -16.202 1.00 50.24 N ATOM 96 CA GLY A 11 -8.243 -17.313 -17.131 1.00 64.43 C ATOM 97 C GLY A 11 -9.082 -16.192 -16.552 1.00 44.20 C ATOM 98 O GLY A 11 -10.029 -15.727 -17.185 1.00 1.00 O ATOM 99 H GLY A 11 -6.282 -17.369 -16.217 1.00 0.00 H ATOM 100 N GLU A 12 -8.734 -15.758 -15.345 1.00 10.54 N ATOM 101 CA GLU A 12 -9.465 -14.685 -14.680 1.00 23.03 C ATOM 102 C GLU A 12 -8.713 -13.362 -14.794 1.00 24.22 C ATOM 103 O GLU A 12 -7.488 -13.303 -14.678 1.00 73.13 O ATOM 104 CB GLU A 12 -9.692 -15.030 -13.206 1.00 42.33 C ATOM 105 CG GLU A 12 -10.443 -16.334 -12.995 1.00 1.50 C ATOM 106 CD GLU A 12 -11.612 -16.494 -13.947 1.00 61.33 C ATOM 107 OE1 GLU A 12 -12.516 -15.633 -13.929 1.00 44.20 O ATOM 108 OE2 GLU A 12 -11.622 -17.482 -14.711 1.00 74.32 O ATOM 109 H GLU A 12 -7.922 -16.194 -14.863 1.00 0.00 H ATOM 110 N PRO A 13 -9.462 -12.274 -15.027 1.00 21.31 N ATOM 111 CA PRO A 13 -8.888 -10.932 -15.162 1.00 31.10 C ATOM 112 C PRO A 13 -8.348 -10.397 -13.840 1.00 45.04 C ATOM 113 O PRO A 13 -8.923 -10.640 -12.779 1.00 1.44 O ATOM 114 CB PRO A 13 -10.072 -10.086 -15.637 1.00 33.40 C ATOM 115 CG PRO A 13 -11.277 -10.809 -15.141 1.00 0.23 C ATOM 116 CD PRO A 13 -10.927 -12.271 -15.176 1.00 2.32 C ATOM 117 N LEU A 14 -7.239 -9.668 -13.912 1.00 14.12 N ATOM 118 CA LEU A 14 -6.621 -9.097 -12.720 1.00 62.31 C ATOM 119 C LEU A 14 -6.011 -7.733 -13.024 1.00 2.44 C ATOM 120 O LEU A 14 -5.446 -7.518 -14.096 1.00 63.00 O ATOM 121 CB LEU A 14 -5.545 -10.040 -12.179 1.00 31.45 C ATOM 122 CG LEU A 14 -4.978 -9.692 -10.802 1.00 13.02 C ATOM 123 CD1 LEU A 14 -6.033 -9.891 -9.724 1.00 40.34 C ATOM 124 CD2 LEU A 14 -3.745 -10.532 -10.505 1.00 23.13 C ATOM 125 H LEU A 14 -6.801 -9.501 -14.840 1.00 0.00 H ATOM 126 N VAL A 15 -6.127 -6.813 -12.071 1.00 32.02 N ATOM 127 CA VAL A 15 -5.584 -5.470 -12.234 1.00 54.34 C ATOM 128 C VAL A 15 -4.601 -5.135 -11.119 1.00 2.21 C ATOM 129 O VAL A 15 -4.758 -5.582 -9.982 1.00 74.10 O ATOM 130 CB VAL A 15 -6.703 -4.411 -12.253 1.00 2.13 C ATOM 131 CG1 VAL A 15 -6.137 -3.043 -12.601 1.00 53.53 C ATOM 132 CG2 VAL A 15 -7.797 -4.809 -13.231 1.00 74.51 C ATOM 133 H VAL A 15 -6.617 -7.058 -11.187 1.00 0.00 H ATOM 134 N LEU A 16 -3.585 -4.345 -11.450 1.00 55.05 N ATOM 135 CA LEU A 16 -2.575 -3.949 -10.476 1.00 43.52 C ATOM 136 C LEU A 16 -2.323 -2.445 -10.534 1.00 32.25 C ATOM 137 O LEU A 16 -2.431 -1.826 -11.592 1.00 74.34 O ATOM 138 CB LEU A 16 -1.270 -4.705 -10.729 1.00 63.40 C ATOM 139 CG LEU A 16 -1.314 -6.216 -10.495 1.00 4.12 C ATOM 140 CD1 LEU A 16 0.069 -6.824 -10.670 1.00 43.34 C ATOM 141 CD2 LEU A 16 -1.862 -6.525 -9.109 1.00 51.05 C ATOM 142 H LEU A 16 -3.508 -4.001 -12.428 1.00 0.00 H ATOM 143 N LYS A 17 -1.985 -1.863 -9.388 1.00 62.11 N ATOM 144 CA LYS A 17 -1.714 -0.433 -9.307 1.00 3.31 C ATOM 145 C LYS A 17 -0.239 -0.174 -9.014 1.00 73.03 C ATOM 146 O LYS A 17 0.420 -0.969 -8.343 1.00 52.22 O ATOM 147 CB LYS A 17 -2.580 0.211 -8.222 1.00 75.21 C ATOM 148 CG LYS A 17 -2.518 1.728 -8.214 1.00 42.32 C ATOM 149 CD LYS A 17 -3.729 2.333 -7.524 1.00 22.24 C ATOM 150 CE LYS A 17 -4.961 2.283 -8.414 1.00 43.53 C ATOM 151 NZ LYS A 17 -6.220 2.274 -7.619 1.00 61.33 N ATOM 152 HZ1 LYS A 17 -6.231 1.439 -6.999 1.00 0.00 H ATOM 153 HZ2 LYS A 17 -6.270 3.137 -7.041 1.00 0.00 H ATOM 154 HZ3 LYS A 17 -7.035 2.240 -8.264 1.00 0.00 H ATOM 155 H LYS A 17 -1.912 -2.442 -8.527 1.00 0.00 H ATOM 156 N CYS A 18 0.273 0.943 -9.520 1.00 73.25 N ATOM 157 CA CYS A 18 1.669 1.307 -9.313 1.00 11.41 C ATOM 158 C CYS A 18 1.781 2.556 -8.443 1.00 24.13 C ATOM 159 O CYS A 18 1.602 3.677 -8.919 1.00 60.12 O ATOM 160 CB CYS A 18 2.361 1.545 -10.657 1.00 30.35 C ATOM 161 SG CYS A 18 2.323 0.109 -11.777 1.00 34.44 S ATOM 162 H CYS A 18 -0.338 1.573 -10.078 1.00 0.00 H ATOM 163 N LYS A 19 2.080 2.354 -7.164 1.00 21.11 N ATOM 164 CA LYS A 19 2.219 3.462 -6.226 1.00 33.41 C ATOM 165 C LYS A 19 3.133 4.543 -6.792 1.00 65.12 C ATOM 166 O LYS A 19 4.355 4.399 -6.791 1.00 43.11 O ATOM 167 CB LYS A 19 2.771 2.959 -4.890 1.00 2.50 C ATOM 168 CG LYS A 19 1.696 2.674 -3.856 1.00 0.12 C ATOM 169 CD LYS A 19 0.893 1.435 -4.214 1.00 21.44 C ATOM 170 CE LYS A 19 -0.572 1.592 -3.839 1.00 14.44 C ATOM 171 NZ LYS A 19 -1.453 0.716 -4.660 1.00 24.32 N ATOM 172 HZ1 LYS A 19 -1.345 0.962 -5.665 1.00 0.00 H ATOM 173 HZ2 LYS A 19 -1.184 -0.278 -4.515 1.00 0.00 H ATOM 174 HZ3 LYS A 19 -2.443 0.854 -4.372 1.00 0.00 H ATOM 175 H LYS A 19 2.218 1.381 -6.823 1.00 0.00 H ATOM 176 N GLY A 20 2.533 5.627 -7.274 1.00 62.04 N ATOM 177 CA GLY A 20 3.310 6.717 -7.836 1.00 15.14 C ATOM 178 C GLY A 20 2.567 7.453 -8.933 1.00 71.33 C ATOM 179 O GLY A 20 2.533 8.683 -8.953 1.00 23.34 O ATOM 180 H GLY A 20 1.496 5.695 -7.248 1.00 0.00 H ATOM 181 N ALA A 21 1.971 6.698 -9.851 1.00 2.11 N ATOM 182 CA ALA A 21 1.225 7.286 -10.957 1.00 5.13 C ATOM 183 C ALA A 21 -0.266 7.346 -10.643 1.00 64.21 C ATOM 184 O ALA A 21 -0.982 6.347 -10.723 1.00 3.54 O ATOM 185 CB ALA A 21 1.467 6.497 -12.235 1.00 32.31 C ATOM 186 H ALA A 21 2.039 5.663 -9.778 1.00 0.00 H ATOM 187 N PRO A 22 -0.747 8.543 -10.277 1.00 43.21 N ATOM 188 CA PRO A 22 -2.157 8.761 -9.944 1.00 15.32 C ATOM 189 C PRO A 22 -3.064 8.661 -11.166 1.00 0.31 C ATOM 190 O PRO A 22 -2.669 8.127 -12.203 1.00 14.14 O ATOM 191 CB PRO A 22 -2.173 10.185 -9.381 1.00 71.24 C ATOM 192 CG PRO A 22 -0.992 10.849 -10.000 1.00 3.34 C ATOM 193 CD PRO A 22 0.049 9.776 -10.161 1.00 5.51 C ATOM 194 N LYS A 23 -4.281 9.179 -11.038 1.00 20.11 N ATOM 195 CA LYS A 23 -5.244 9.150 -12.132 1.00 52.01 C ATOM 196 C LYS A 23 -4.708 9.897 -13.349 1.00 42.10 C ATOM 197 O LYS A 23 -5.281 9.827 -14.436 1.00 60.44 O ATOM 198 CB LYS A 23 -6.572 9.767 -11.686 1.00 71.54 C ATOM 199 CG LYS A 23 -7.533 8.763 -11.072 1.00 42.14 C ATOM 200 CD LYS A 23 -7.360 8.676 -9.565 1.00 60.33 C ATOM 201 CE LYS A 23 -8.039 9.838 -8.858 1.00 50.51 C ATOM 202 NZ LYS A 23 -9.523 9.713 -8.884 1.00 43.42 N ATOM 203 HZ1 LYS A 23 -9.851 9.695 -9.871 1.00 0.00 H ATOM 204 HZ2 LYS A 23 -9.804 8.832 -8.408 1.00 0.00 H ATOM 205 HZ3 LYS A 23 -9.947 10.525 -8.392 1.00 0.00 H ATOM 206 H LYS A 23 -4.553 9.616 -10.134 1.00 0.00 H ATOM 207 N LYS A 24 -3.604 10.612 -13.159 1.00 62.25 N ATOM 208 CA LYS A 24 -2.987 11.370 -14.242 1.00 15.13 C ATOM 209 C LYS A 24 -2.896 10.530 -15.511 1.00 60.14 C ATOM 210 O LYS A 24 -3.113 9.318 -15.500 1.00 23.05 O ATOM 211 CB LYS A 24 -1.592 11.844 -13.829 1.00 50.25 C ATOM 212 CG LYS A 24 -1.537 13.314 -13.449 1.00 24.42 C ATOM 213 CD LYS A 24 -2.102 13.551 -12.059 1.00 1.25 C ATOM 214 CE LYS A 24 -2.810 14.894 -11.967 1.00 13.01 C ATOM 215 NZ LYS A 24 -3.998 14.834 -11.071 1.00 12.52 N ATOM 216 HZ1 LYS A 24 -4.673 14.133 -11.439 1.00 0.00 H ATOM 217 HZ2 LYS A 24 -3.696 14.558 -10.115 1.00 0.00 H ATOM 218 HZ3 LYS A 24 -4.452 15.769 -11.036 1.00 0.00 H ATOM 219 H LYS A 24 -3.169 10.632 -12.215 1.00 0.00 H ATOM 220 N PRO A 25 -2.566 11.186 -16.634 1.00 30.02 N ATOM 221 CA PRO A 25 -2.436 10.518 -17.932 1.00 73.02 C ATOM 222 C PRO A 25 -1.219 9.601 -17.993 1.00 51.55 C ATOM 223 O PRO A 25 -0.390 9.568 -17.083 1.00 54.45 O ATOM 224 CB PRO A 25 -2.280 11.681 -18.915 1.00 71.23 C ATOM 225 CG PRO A 25 -1.716 12.793 -18.100 1.00 63.33 C ATOM 226 CD PRO A 25 -2.294 12.630 -16.722 1.00 3.54 C ATOM 227 N PRO A 26 -1.106 8.839 -19.091 1.00 51.12 N ATOM 228 CA PRO A 26 0.008 7.909 -19.298 1.00 32.34 C ATOM 229 C PRO A 26 1.328 8.631 -19.544 1.00 22.32 C ATOM 230 O PRO A 26 1.619 9.045 -20.665 1.00 52.25 O ATOM 231 CB PRO A 26 -0.412 7.123 -20.542 1.00 53.03 C ATOM 232 CG PRO A 26 -1.337 8.035 -21.272 1.00 44.41 C ATOM 233 CD PRO A 26 -2.057 8.827 -20.216 1.00 3.02 C ATOM 234 N GLN A 27 2.123 8.777 -18.489 1.00 22.32 N ATOM 235 CA GLN A 27 3.413 9.449 -18.592 1.00 12.20 C ATOM 236 C GLN A 27 4.548 8.436 -18.701 1.00 52.30 C ATOM 237 O GLN A 27 4.311 7.232 -18.800 1.00 53.35 O ATOM 238 CB GLN A 27 3.637 10.356 -17.381 1.00 23.03 C ATOM 239 CG GLN A 27 3.788 11.825 -17.740 1.00 50.32 C ATOM 240 CD GLN A 27 2.454 12.529 -17.893 1.00 33.44 C ATOM 241 OE1 GLN A 27 1.575 12.409 -17.038 1.00 52.24 O ATOM 242 NE2 GLN A 27 2.295 13.268 -18.984 1.00 61.33 N ATOM 243 HE22 GLN A 27 3.065 13.341 -19.680 1.00 0.00 H ATOM 244 HE21 GLN A 27 1.401 13.774 -19.143 1.00 0.00 H ATOM 245 H GLN A 27 1.818 8.403 -17.568 1.00 0.00 H ATOM 246 N ARG A 28 5.781 8.932 -18.682 1.00 54.11 N ATOM 247 CA ARG A 28 6.952 8.070 -18.781 1.00 4.24 C ATOM 248 C ARG A 28 7.031 7.121 -17.589 1.00 34.24 C ATOM 249 O ARG A 28 6.878 7.536 -16.439 1.00 50.31 O ATOM 250 CB ARG A 28 8.227 8.913 -18.859 1.00 74.04 C ATOM 251 CG ARG A 28 9.467 8.110 -19.217 1.00 53.11 C ATOM 252 CD ARG A 28 10.724 8.962 -19.137 1.00 70.31 C ATOM 253 NE ARG A 28 11.000 9.650 -20.395 1.00 52.03 N ATOM 254 CZ ARG A 28 11.500 9.047 -21.468 1.00 54.44 C ATOM 255 NH1 ARG A 28 11.776 7.751 -21.436 1.00 44.13 N ATOM 256 NH2 ARG A 28 11.723 9.742 -22.577 1.00 20.40 N ATOM 257 HE ARG A 28 10.794 10.668 -20.454 1.00 0.00 H ATOM 258 HH12 ARG A 28 12.167 7.282 -22.278 1.00 0.00 H ATOM 259 HH11 ARG A 28 11.601 7.203 -20.569 1.00 0.00 H ATOM 260 HH22 ARG A 28 12.114 9.270 -23.417 1.00 0.00 H ATOM 261 HH21 ARG A 28 11.506 10.759 -22.606 1.00 0.00 H ATOM 262 H ARG A 28 5.913 9.960 -18.594 1.00 0.00 H ATOM 263 N LEU A 29 7.269 5.845 -17.870 1.00 74.41 N ATOM 264 CA LEU A 29 7.367 4.835 -16.821 1.00 53.15 C ATOM 265 C LEU A 29 7.706 3.470 -17.410 1.00 71.53 C ATOM 266 O LEU A 29 7.541 3.242 -18.608 1.00 64.13 O ATOM 267 CB LEU A 29 6.054 4.754 -16.040 1.00 5.54 C ATOM 268 CG LEU A 29 4.781 4.628 -16.877 1.00 21.44 C ATOM 269 CD1 LEU A 29 4.644 3.217 -17.429 1.00 14.23 C ATOM 270 CD2 LEU A 29 3.560 5.000 -16.049 1.00 34.31 C ATOM 271 H LEU A 29 7.389 5.558 -18.863 1.00 0.00 H ATOM 272 N GLU A 30 8.178 2.564 -16.559 1.00 11.32 N ATOM 273 CA GLU A 30 8.539 1.221 -16.996 1.00 35.44 C ATOM 274 C GLU A 30 7.734 0.168 -16.239 1.00 15.13 C ATOM 275 O GLU A 30 7.399 0.351 -15.068 1.00 62.32 O ATOM 276 CB GLU A 30 10.035 0.978 -16.791 1.00 4.30 C ATOM 277 CG GLU A 30 10.667 0.119 -17.874 1.00 14.51 C ATOM 278 CD GLU A 30 10.590 0.761 -19.246 1.00 3.13 C ATOM 279 OE1 GLU A 30 9.550 0.601 -19.918 1.00 13.33 O ATOM 280 OE2 GLU A 30 11.570 1.422 -19.647 1.00 44.34 O ATOM 281 H GLU A 30 8.292 2.820 -15.557 1.00 0.00 H ATOM 282 N TRP A 31 7.426 -0.932 -16.916 1.00 31.23 N ATOM 283 CA TRP A 31 6.660 -2.014 -16.308 1.00 35.11 C ATOM 284 C TRP A 31 7.369 -3.352 -16.488 1.00 1.43 C ATOM 285 O TRP A 31 7.811 -3.689 -17.586 1.00 44.42 O ATOM 286 CB TRP A 31 5.259 -2.080 -16.918 1.00 54.13 C ATOM 287 CG TRP A 31 4.164 -2.070 -15.895 1.00 33.32 C ATOM 288 CD1 TRP A 31 3.295 -1.049 -15.634 1.00 30.54 C ATOM 289 CD2 TRP A 31 3.822 -3.130 -14.995 1.00 64.41 C ATOM 290 NE1 TRP A 31 2.434 -1.411 -14.625 1.00 61.24 N ATOM 291 CE2 TRP A 31 2.736 -2.683 -14.217 1.00 63.44 C ATOM 292 CE3 TRP A 31 4.327 -4.414 -14.772 1.00 60.31 C ATOM 293 CZ2 TRP A 31 2.149 -3.475 -13.234 1.00 65.30 C ATOM 294 CZ3 TRP A 31 3.744 -5.199 -13.796 1.00 13.04 C ATOM 295 CH2 TRP A 31 2.664 -4.728 -13.037 1.00 12.01 C ATOM 296 HE1 TRP A 31 1.676 -0.815 -14.235 1.00 0.00 H ATOM 297 H TRP A 31 7.739 -1.024 -17.904 1.00 0.00 H ATOM 298 N LYS A 32 7.475 -4.111 -15.403 1.00 33.04 N ATOM 299 CA LYS A 32 8.129 -5.413 -15.440 1.00 64.33 C ATOM 300 C LYS A 32 7.315 -6.454 -14.679 1.00 74.23 C ATOM 301 O LYS A 32 6.721 -6.156 -13.642 1.00 52.22 O ATOM 302 CB LYS A 32 9.536 -5.317 -14.846 1.00 23.22 C ATOM 303 CG LYS A 32 10.531 -6.275 -15.479 1.00 11.11 C ATOM 304 CD LYS A 32 11.949 -5.736 -15.404 1.00 5.41 C ATOM 305 CE LYS A 32 12.527 -5.880 -14.004 1.00 65.15 C ATOM 306 NZ LYS A 32 13.546 -4.833 -13.714 1.00 61.22 N ATOM 307 HZ1 LYS A 32 14.325 -4.910 -14.398 1.00 0.00 H ATOM 308 HZ2 LYS A 32 13.107 -3.893 -13.791 1.00 0.00 H ATOM 309 HZ3 LYS A 32 13.915 -4.967 -12.751 1.00 0.00 H ATOM 310 H LYS A 32 7.081 -3.767 -14.504 1.00 0.00 H ATOM 311 N LEU A 33 7.291 -7.676 -15.199 1.00 63.44 N ATOM 312 CA LEU A 33 6.550 -8.763 -14.568 1.00 3.33 C ATOM 313 C LEU A 33 7.351 -10.061 -14.603 1.00 54.35 C ATOM 314 O LEU A 33 7.919 -10.423 -15.633 1.00 14.22 O ATOM 315 CB LEU A 33 5.204 -8.961 -15.266 1.00 34.13 C ATOM 316 CG LEU A 33 4.637 -10.381 -15.239 1.00 15.11 C ATOM 317 CD1 LEU A 33 4.269 -10.782 -13.819 1.00 23.42 C ATOM 318 CD2 LEU A 33 3.427 -10.489 -16.156 1.00 33.34 C ATOM 319 H LEU A 33 7.814 -7.863 -16.078 1.00 0.00 H ATOM 320 N ASN A 34 7.389 -10.758 -13.472 1.00 52.44 N ATOM 321 CA ASN A 34 8.118 -12.017 -13.375 1.00 1.22 C ATOM 322 C ASN A 34 7.164 -13.179 -13.118 1.00 61.51 C ATOM 323 O ASN A 34 6.428 -13.187 -12.131 1.00 31.51 O ATOM 324 CB ASN A 34 9.160 -11.941 -12.257 1.00 63.32 C ATOM 325 CG ASN A 34 9.679 -13.309 -11.857 1.00 14.04 C ATOM 326 OD1 ASN A 34 9.758 -13.632 -10.671 1.00 74.54 O ATOM 327 ND2 ASN A 34 10.035 -14.119 -12.846 1.00 62.53 N ATOM 328 HD22 ASN A 34 9.951 -13.803 -13.833 1.00 0.00 H ATOM 329 HD21 ASN A 34 10.398 -15.070 -12.634 1.00 0.00 H ATOM 330 H ASN A 34 6.887 -10.397 -12.636 1.00 0.00 H ATOM 331 N THR A 35 7.183 -14.162 -14.014 1.00 14.13 N ATOM 332 CA THR A 35 6.320 -15.329 -13.885 1.00 72.53 C ATOM 333 C THR A 35 7.071 -16.609 -14.235 1.00 32.22 C ATOM 334 O THR A 35 8.232 -16.568 -14.639 1.00 71.32 O ATOM 335 CB THR A 35 5.078 -15.213 -14.790 1.00 5.12 C ATOM 336 OG1 THR A 35 5.390 -15.670 -16.111 1.00 1.34 O ATOM 337 CG2 THR A 35 4.585 -13.775 -14.848 1.00 73.23 C ATOM 338 HG1 THR A 35 5.678 -16.616 -16.072 1.00 0.00 H ATOM 339 H THR A 35 7.829 -14.096 -14.826 1.00 0.00 H ATOM 340 N GLY A 36 6.399 -17.746 -14.077 1.00 25.04 N ATOM 341 CA GLY A 36 7.020 -19.022 -14.381 1.00 32.22 C ATOM 342 C GLY A 36 8.032 -19.439 -13.333 1.00 22.35 C ATOM 343 O GLY A 36 7.746 -19.406 -12.136 1.00 31.04 O ATOM 344 H GLY A 36 5.418 -17.720 -13.732 1.00 0.00 H ATOM 345 N ARG A 37 9.219 -19.835 -13.782 1.00 54.42 N ATOM 346 CA ARG A 37 10.276 -20.263 -12.874 1.00 51.23 C ATOM 347 C ARG A 37 11.441 -19.277 -12.893 1.00 33.32 C ATOM 348 O ARG A 37 12.053 -19.003 -11.860 1.00 52.51 O ATOM 349 CB ARG A 37 10.770 -21.660 -13.255 1.00 53.33 C ATOM 350 CG ARG A 37 10.066 -22.780 -12.507 1.00 12.33 C ATOM 351 CD ARG A 37 8.630 -22.948 -12.977 1.00 54.42 C ATOM 352 NE ARG A 37 8.552 -23.228 -14.408 1.00 53.13 N ATOM 353 CZ ARG A 37 8.765 -24.429 -14.935 1.00 13.23 C ATOM 354 NH1 ARG A 37 9.067 -25.455 -14.152 1.00 35.33 N ATOM 355 NH2 ARG A 37 8.675 -24.605 -16.247 1.00 3.22 N ATOM 356 HE ARG A 37 8.317 -22.444 -15.050 1.00 0.00 H ATOM 357 HH12 ARG A 37 9.233 -26.394 -14.567 1.00 0.00 H ATOM 358 HH11 ARG A 37 9.138 -25.321 -13.123 1.00 0.00 H ATOM 359 HH22 ARG A 37 8.842 -25.546 -16.658 1.00 0.00 H ATOM 360 HH21 ARG A 37 8.437 -23.802 -16.864 1.00 0.00 H ATOM 361 H ARG A 37 9.398 -19.840 -14.806 1.00 0.00 H ATOM 362 N THR A 38 11.743 -18.748 -14.074 1.00 52.03 N ATOM 363 CA THR A 38 12.834 -17.795 -14.228 1.00 45.22 C ATOM 364 C THR A 38 12.959 -17.330 -15.675 1.00 31.23 C ATOM 365 O THR A 38 13.386 -16.207 -15.940 1.00 63.33 O ATOM 366 CB THR A 38 14.177 -18.401 -13.778 1.00 62.14 C ATOM 367 OG1 THR A 38 15.138 -17.361 -13.565 1.00 15.41 O ATOM 368 CG2 THR A 38 14.704 -19.379 -14.817 1.00 63.43 C ATOM 369 HG1 THR A 38 15.273 -16.860 -14.408 1.00 0.00 H ATOM 370 H THR A 38 11.187 -19.021 -14.909 1.00 0.00 H ATOM 371 N GLU A 39 12.582 -18.201 -16.606 1.00 22.12 N ATOM 372 CA GLU A 39 12.653 -17.878 -18.026 1.00 35.10 C ATOM 373 C GLU A 39 11.272 -17.524 -18.572 1.00 63.34 C ATOM 374 O GLU A 39 10.961 -17.804 -19.730 1.00 32.14 O ATOM 375 CB GLU A 39 13.238 -19.054 -18.811 1.00 33.02 C ATOM 376 CG GLU A 39 14.701 -19.323 -18.503 1.00 30.54 C ATOM 377 CD GLU A 39 15.098 -20.763 -18.768 1.00 53.34 C ATOM 378 OE1 GLU A 39 14.322 -21.477 -19.437 1.00 70.42 O ATOM 379 OE2 GLU A 39 16.183 -21.174 -18.308 1.00 32.43 O ATOM 380 H GLU A 39 12.228 -19.135 -16.315 1.00 0.00 H ATOM 381 N ALA A 40 10.449 -16.908 -17.731 1.00 4.35 N ATOM 382 CA ALA A 40 9.104 -16.514 -18.128 1.00 75.15 C ATOM 383 C ALA A 40 8.872 -15.027 -17.886 1.00 1.54 C ATOM 384 O ALA A 40 7.839 -14.479 -18.270 1.00 51.21 O ATOM 385 CB ALA A 40 8.069 -17.340 -17.379 1.00 72.42 C ATOM 386 H ALA A 40 10.773 -16.702 -16.765 1.00 0.00 H ATOM 387 N TRP A 41 9.839 -14.379 -17.245 1.00 70.33 N ATOM 388 CA TRP A 41 9.739 -12.954 -16.951 1.00 24.34 C ATOM 389 C TRP A 41 9.651 -12.138 -18.235 1.00 52.31 C ATOM 390 O TRP A 41 10.442 -12.328 -19.159 1.00 55.35 O ATOM 391 CB TRP A 41 10.943 -12.498 -16.124 1.00 34.34 C ATOM 392 CG TRP A 41 12.226 -12.488 -16.898 1.00 31.33 C ATOM 393 CD1 TRP A 41 12.874 -13.569 -17.424 1.00 22.12 C ATOM 394 CD2 TRP A 41 13.017 -11.342 -17.231 1.00 31.33 C ATOM 395 NE1 TRP A 41 14.021 -13.164 -18.064 1.00 34.02 N ATOM 396 CE2 TRP A 41 14.131 -11.803 -17.960 1.00 55.44 C ATOM 397 CE3 TRP A 41 12.892 -9.972 -16.986 1.00 20.35 C ATOM 398 CZ2 TRP A 41 15.111 -10.940 -18.444 1.00 71.53 C ATOM 399 CZ3 TRP A 41 13.866 -9.118 -17.466 1.00 61.11 C ATOM 400 CH2 TRP A 41 14.963 -9.604 -18.189 1.00 64.14 C ATOM 401 HE1 TRP A 41 14.696 -13.790 -18.549 1.00 0.00 H ATOM 402 H TRP A 41 10.688 -14.901 -16.946 1.00 0.00 H ATOM 403 N LYS A 42 8.684 -11.228 -18.287 1.00 41.41 N ATOM 404 CA LYS A 42 8.493 -10.380 -19.458 1.00 34.10 C ATOM 405 C LYS A 42 8.421 -8.909 -19.059 1.00 65.43 C ATOM 406 O LYS A 42 8.056 -8.579 -17.931 1.00 42.42 O ATOM 407 CB LYS A 42 7.215 -10.781 -20.200 1.00 5.32 C ATOM 408 CG LYS A 42 6.828 -12.236 -20.001 1.00 52.22 C ATOM 409 CD LYS A 42 5.916 -12.411 -18.798 1.00 42.22 C ATOM 410 CE LYS A 42 4.549 -11.790 -19.040 1.00 74.53 C ATOM 411 NZ LYS A 42 3.926 -12.293 -20.296 1.00 31.40 N ATOM 412 HZ1 LYS A 42 4.539 -12.059 -21.103 1.00 0.00 H ATOM 413 HZ2 LYS A 42 3.810 -13.325 -20.235 1.00 0.00 H ATOM 414 HZ3 LYS A 42 2.996 -11.845 -20.424 1.00 0.00 H ATOM 415 H LYS A 42 8.047 -11.118 -17.472 1.00 0.00 H ATOM 416 N VAL A 43 8.772 -8.030 -19.993 1.00 34.31 N ATOM 417 CA VAL A 43 8.745 -6.595 -19.740 1.00 12.35 C ATOM 418 C VAL A 43 7.496 -5.955 -20.335 1.00 40.35 C ATOM 419 O VAL A 43 7.265 -6.025 -21.543 1.00 72.33 O ATOM 420 CB VAL A 43 9.991 -5.899 -20.319 1.00 21.22 C ATOM 421 CG1 VAL A 43 9.922 -4.398 -20.085 1.00 52.32 C ATOM 422 CG2 VAL A 43 11.257 -6.484 -19.712 1.00 4.35 C ATOM 423 H VAL A 43 9.073 -8.375 -20.927 1.00 0.00 H ATOM 424 N LEU A 44 6.693 -5.330 -19.481 1.00 44.53 N ATOM 425 CA LEU A 44 5.467 -4.675 -19.923 1.00 33.20 C ATOM 426 C LEU A 44 5.700 -3.187 -20.165 1.00 32.34 C ATOM 427 O LEU A 44 6.505 -2.556 -19.481 1.00 5.10 O ATOM 428 CB LEU A 44 4.360 -4.868 -18.884 1.00 43.43 C ATOM 429 CG LEU A 44 3.506 -6.126 -19.039 1.00 74.04 C ATOM 430 CD1 LEU A 44 2.560 -5.987 -20.223 1.00 4.23 C ATOM 431 CD2 LEU A 44 4.389 -7.354 -19.202 1.00 22.21 C ATOM 432 H LEU A 44 6.945 -5.307 -18.472 1.00 0.00 H ATOM 433 N SER A 45 4.988 -2.633 -21.140 1.00 54.24 N ATOM 434 CA SER A 45 5.118 -1.219 -21.473 1.00 71.14 C ATOM 435 C SER A 45 3.764 -0.518 -21.407 1.00 62.45 C ATOM 436 O SER A 45 2.708 -1.151 -21.406 1.00 22.42 O ATOM 437 CB SER A 45 5.722 -1.056 -22.870 1.00 11.15 C ATOM 438 OG SER A 45 5.661 -2.271 -23.597 1.00 11.32 O ATOM 439 HG SER A 45 6.057 -2.138 -24.494 1.00 0.00 H ATOM 440 H SER A 45 4.322 -3.222 -21.679 1.00 0.00 H ATOM 441 N PRO A 46 3.795 0.821 -21.352 1.00 14.43 N ATOM 442 CA PRO A 46 2.579 1.639 -21.285 1.00 65.40 C ATOM 443 C PRO A 46 1.791 1.613 -22.590 1.00 44.12 C ATOM 444 O PRO A 46 0.748 2.255 -22.708 1.00 32.35 O ATOM 445 CB PRO A 46 3.114 3.047 -21.010 1.00 74.43 C ATOM 446 CG PRO A 46 4.500 3.039 -21.555 1.00 23.43 C ATOM 447 CD PRO A 46 5.018 1.642 -21.350 1.00 35.41 C ATOM 448 N GLN A 47 2.298 0.868 -23.567 1.00 73.14 N ATOM 449 CA GLN A 47 1.640 0.760 -24.864 1.00 71.12 C ATOM 450 C GLN A 47 1.241 -0.683 -25.154 1.00 23.41 C ATOM 451 O GLN A 47 1.837 -1.344 -26.004 1.00 52.32 O ATOM 452 CB GLN A 47 2.559 1.280 -25.971 1.00 22.42 C ATOM 453 CG GLN A 47 1.875 1.403 -27.322 1.00 55.34 C ATOM 454 CD GLN A 47 0.688 2.347 -27.291 1.00 61.45 C ATOM 455 OE1 GLN A 47 0.851 3.567 -27.263 1.00 21.25 O ATOM 456 NE2 GLN A 47 -0.515 1.785 -27.298 1.00 12.24 N ATOM 457 HE22 GLN A 47 -0.605 0.749 -27.322 1.00 0.00 H ATOM 458 HE21 GLN A 47 -1.367 2.381 -27.279 1.00 0.00 H ATOM 459 H GLN A 47 3.185 0.350 -23.403 1.00 0.00 H ATOM 460 N GLY A 48 0.229 -1.168 -24.440 1.00 44.31 N ATOM 461 CA GLY A 48 -0.231 -2.530 -24.635 1.00 61.11 C ATOM 462 C GLY A 48 -1.337 -2.626 -25.667 1.00 35.24 C ATOM 463 O GLY A 48 -1.880 -3.704 -25.907 1.00 2.11 O ATOM 464 H GLY A 48 -0.238 -0.564 -23.734 1.00 0.00 H ATOM 465 N GLY A 49 -1.675 -1.494 -26.278 1.00 20.44 N ATOM 466 CA GLY A 49 -2.724 -1.477 -27.280 1.00 61.13 C ATOM 467 C GLY A 49 -2.443 -2.424 -28.430 1.00 64.10 C ATOM 468 O GLY A 49 -1.579 -2.159 -29.265 1.00 24.03 O ATOM 469 H GLY A 49 -1.182 -0.611 -26.035 1.00 0.00 H ATOM 470 N GLY A 50 -3.174 -3.534 -28.473 1.00 43.02 N ATOM 471 CA GLY A 50 -2.982 -4.508 -29.532 1.00 50.20 C ATOM 472 C GLY A 50 -2.748 -5.907 -28.998 1.00 1.24 C ATOM 473 O GLY A 50 -3.612 -6.780 -29.083 1.00 43.15 O ATOM 474 H GLY A 50 -3.891 -3.706 -27.740 1.00 0.00 H ATOM 475 N PRO A 51 -1.554 -6.136 -28.432 1.00 24.12 N ATOM 476 CA PRO A 51 -1.180 -7.438 -27.871 1.00 70.24 C ATOM 477 C PRO A 51 -1.955 -7.766 -26.600 1.00 0.33 C ATOM 478 O PRO A 51 -1.764 -8.824 -26.001 1.00 3.15 O ATOM 479 CB PRO A 51 0.311 -7.277 -27.563 1.00 34.02 C ATOM 480 CG PRO A 51 0.501 -5.812 -27.370 1.00 22.24 C ATOM 481 CD PRO A 51 -0.476 -5.142 -28.295 1.00 50.21 C ATOM 482 N TRP A 52 -2.829 -6.852 -26.194 1.00 34.42 N ATOM 483 CA TRP A 52 -3.634 -7.045 -24.993 1.00 21.45 C ATOM 484 C TRP A 52 -4.348 -8.392 -25.026 1.00 53.13 C ATOM 485 O TRP A 52 -4.525 -9.037 -23.993 1.00 22.41 O ATOM 486 CB TRP A 52 -4.655 -5.916 -24.851 1.00 12.32 C ATOM 487 CG TRP A 52 -5.769 -5.993 -25.850 1.00 75.52 C ATOM 488 CD1 TRP A 52 -5.696 -5.709 -27.184 1.00 24.11 C ATOM 489 CD2 TRP A 52 -7.124 -6.379 -25.595 1.00 33.34 C ATOM 490 NE1 TRP A 52 -6.923 -5.895 -27.773 1.00 10.11 N ATOM 491 CE2 TRP A 52 -7.816 -6.307 -26.820 1.00 12.24 C ATOM 492 CE3 TRP A 52 -7.820 -6.781 -24.451 1.00 41.11 C ATOM 493 CZ2 TRP A 52 -9.168 -6.620 -26.930 1.00 53.10 C ATOM 494 CZ3 TRP A 52 -9.162 -7.091 -24.562 1.00 61.14 C ATOM 495 CH2 TRP A 52 -9.825 -7.010 -25.794 1.00 64.14 C ATOM 496 HE1 TRP A 52 -7.139 -5.747 -28.780 1.00 0.00 H ATOM 497 H TRP A 52 -2.942 -5.978 -26.746 1.00 0.00 H ATOM 498 N ASP A 53 -4.757 -8.810 -26.219 1.00 61.11 N ATOM 499 CA ASP A 53 -5.451 -10.081 -26.387 1.00 33.50 C ATOM 500 C ASP A 53 -4.505 -11.254 -26.147 1.00 2.50 C ATOM 501 O ASP A 53 -4.936 -12.349 -25.788 1.00 31.11 O ATOM 502 CB ASP A 53 -6.055 -10.176 -27.789 1.00 62.12 C ATOM 503 CG ASP A 53 -7.051 -11.312 -27.915 1.00 62.04 C ATOM 504 OD1 ASP A 53 -7.416 -11.900 -26.875 1.00 40.35 O ATOM 505 OD2 ASP A 53 -7.466 -11.613 -29.054 1.00 2.11 O ATOM 506 H ASP A 53 -4.578 -8.216 -27.054 1.00 0.00 H ATOM 507 N SER A 54 -3.213 -11.015 -26.349 1.00 22.21 N ATOM 508 CA SER A 54 -2.205 -12.052 -26.159 1.00 74.33 C ATOM 509 C SER A 54 -1.691 -12.054 -24.723 1.00 11.21 C ATOM 510 O SER A 54 -1.521 -13.110 -24.113 1.00 51.32 O ATOM 511 CB SER A 54 -1.041 -11.845 -27.130 1.00 20.32 C ATOM 512 OG SER A 54 -1.340 -10.834 -28.077 1.00 22.43 O ATOM 513 HG SER A 54 -1.514 -9.982 -27.604 1.00 0.00 H ATOM 514 H SER A 54 -2.914 -10.066 -26.650 1.00 0.00 H ATOM 515 N VAL A 55 -1.445 -10.862 -24.188 1.00 23.11 N ATOM 516 CA VAL A 55 -0.951 -10.724 -22.823 1.00 63.21 C ATOM 517 C VAL A 55 -1.836 -9.786 -22.011 1.00 3.34 C ATOM 518 O VAL A 55 -2.873 -10.192 -21.487 1.00 5.00 O ATOM 519 CB VAL A 55 0.496 -10.196 -22.801 1.00 11.24 C ATOM 520 CG1 VAL A 55 1.487 -11.349 -22.858 1.00 15.32 C ATOM 521 CG2 VAL A 55 0.727 -9.226 -23.950 1.00 35.31 C ATOM 522 H VAL A 55 -1.609 -10.007 -24.757 1.00 0.00 H ATOM 523 N ALA A 56 -1.419 -8.528 -21.910 1.00 51.41 N ATOM 524 CA ALA A 56 -2.175 -7.530 -21.163 1.00 52.14 C ATOM 525 C ALA A 56 -1.812 -6.118 -21.611 1.00 32.02 C ATOM 526 O ALA A 56 -0.897 -5.927 -22.412 1.00 0.55 O ATOM 527 CB ALA A 56 -1.931 -7.692 -19.670 1.00 54.43 C ATOM 528 H ALA A 56 -0.532 -8.249 -22.375 1.00 0.00 H ATOM 529 N ARG A 57 -2.536 -5.133 -21.089 1.00 43.32 N ATOM 530 CA ARG A 57 -2.291 -3.738 -21.437 1.00 24.21 C ATOM 531 C ARG A 57 -2.037 -2.902 -20.186 1.00 23.52 C ATOM 532 O ARG A 57 -2.320 -3.336 -19.069 1.00 13.31 O ATOM 533 CB ARG A 57 -3.479 -3.167 -22.212 1.00 74.21 C ATOM 534 CG ARG A 57 -4.759 -3.970 -22.043 1.00 10.21 C ATOM 535 CD ARG A 57 -5.295 -3.871 -20.623 1.00 62.41 C ATOM 536 NE ARG A 57 -6.025 -2.627 -20.399 1.00 11.32 N ATOM 537 CZ ARG A 57 -7.259 -2.409 -20.839 1.00 74.32 C ATOM 538 NH1 ARG A 57 -7.898 -3.349 -21.523 1.00 43.44 N ATOM 539 NH2 ARG A 57 -7.858 -1.250 -20.595 1.00 22.52 N ATOM 540 HE ARG A 57 -5.553 -1.870 -19.865 1.00 0.00 H ATOM 541 HH12 ARG A 57 -8.864 -3.176 -21.867 1.00 0.00 H ATOM 542 HH11 ARG A 57 -7.433 -4.259 -21.716 1.00 0.00 H ATOM 543 HH22 ARG A 57 -8.824 -1.081 -20.940 1.00 0.00 H ATOM 544 HH21 ARG A 57 -7.361 -0.511 -20.058 1.00 0.00 H ATOM 545 H ARG A 57 -3.295 -5.363 -20.416 1.00 0.00 H ATOM 546 N VAL A 58 -1.500 -1.702 -20.381 1.00 21.20 N ATOM 547 CA VAL A 58 -1.208 -0.805 -19.269 1.00 71.21 C ATOM 548 C VAL A 58 -2.186 0.364 -19.235 1.00 30.21 C ATOM 549 O VAL A 58 -2.437 1.008 -20.255 1.00 31.35 O ATOM 550 CB VAL A 58 0.229 -0.256 -19.353 1.00 75.21 C ATOM 551 CG1 VAL A 58 0.382 0.975 -18.474 1.00 11.43 C ATOM 552 CG2 VAL A 58 1.232 -1.330 -18.961 1.00 45.20 C ATOM 553 H VAL A 58 -1.283 -1.395 -21.351 1.00 0.00 H ATOM 554 N LEU A 59 -2.735 0.634 -18.056 1.00 35.20 N ATOM 555 CA LEU A 59 -3.687 1.727 -17.888 1.00 23.15 C ATOM 556 C LEU A 59 -2.999 3.078 -18.054 1.00 44.01 C ATOM 557 O LEU A 59 -1.782 3.205 -17.912 1.00 33.43 O ATOM 558 CB LEU A 59 -4.349 1.645 -16.511 1.00 50.31 C ATOM 559 CG LEU A 59 -5.461 0.607 -16.362 1.00 74.20 C ATOM 560 CD1 LEU A 59 -5.891 0.490 -14.908 1.00 21.31 C ATOM 561 CD2 LEU A 59 -6.649 0.967 -17.243 1.00 64.23 C ATOM 562 H LEU A 59 -2.480 0.052 -17.233 1.00 0.00 H ATOM 563 N PRO A 60 -3.794 4.114 -18.361 1.00 20.41 N ATOM 564 CA PRO A 60 -3.284 5.475 -18.551 1.00 23.34 C ATOM 565 C PRO A 60 -2.806 6.102 -17.245 1.00 70.23 C ATOM 566 O PRO A 60 -1.961 6.996 -17.248 1.00 60.22 O ATOM 567 CB PRO A 60 -4.495 6.235 -19.097 1.00 62.42 C ATOM 568 CG PRO A 60 -5.675 5.478 -18.594 1.00 74.13 C ATOM 569 CD PRO A 60 -5.253 4.036 -18.546 1.00 22.42 C ATOM 570 N ASN A 61 -3.353 5.627 -16.131 1.00 22.40 N ATOM 571 CA ASN A 61 -2.982 6.142 -14.818 1.00 21.52 C ATOM 572 C ASN A 61 -1.714 5.465 -14.306 1.00 70.53 C ATOM 573 O ASN A 61 -1.257 5.736 -13.197 1.00 35.45 O ATOM 574 CB ASN A 61 -4.124 5.929 -13.822 1.00 72.14 C ATOM 575 CG ASN A 61 -4.736 4.545 -13.931 1.00 3.41 C ATOM 576 OD1 ASN A 61 -5.463 4.249 -14.879 1.00 22.40 O ATOM 577 ND2 ASN A 61 -4.443 3.691 -12.957 1.00 42.22 N ATOM 578 HD22 ASN A 61 -3.824 3.986 -12.175 1.00 0.00 H ATOM 579 HD21 ASN A 61 -4.833 2.727 -12.976 1.00 0.00 H ATOM 580 H ASN A 61 -4.063 4.870 -16.197 1.00 0.00 H ATOM 581 N GLY A 62 -1.149 4.582 -15.125 1.00 33.32 N ATOM 582 CA GLY A 62 0.061 3.880 -14.738 1.00 74.12 C ATOM 583 C GLY A 62 -0.229 2.563 -14.045 1.00 51.40 C ATOM 584 O GLY A 62 0.521 2.139 -13.166 1.00 71.42 O ATOM 585 H GLY A 62 -1.579 4.393 -16.053 1.00 0.00 H ATOM 586 N SER A 63 -1.321 1.916 -14.440 1.00 11.44 N ATOM 587 CA SER A 63 -1.711 0.643 -13.846 1.00 74.21 C ATOM 588 C SER A 63 -1.568 -0.493 -14.854 1.00 64.14 C ATOM 589 O SER A 63 -1.159 -0.278 -15.996 1.00 44.41 O ATOM 590 CB SER A 63 -3.154 0.712 -13.341 1.00 41.11 C ATOM 591 OG SER A 63 -3.195 0.969 -11.948 1.00 42.12 O ATOM 592 HG SER A 63 -2.724 0.244 -11.466 1.00 0.00 H ATOM 593 H SER A 63 -1.911 2.328 -15.191 1.00 0.00 H ATOM 594 N LEU A 64 -1.906 -1.703 -14.424 1.00 75.55 N ATOM 595 CA LEU A 64 -1.816 -2.875 -15.288 1.00 62.45 C ATOM 596 C LEU A 64 -3.112 -3.679 -15.254 1.00 22.01 C ATOM 597 O LEU A 64 -3.623 -4.007 -14.183 1.00 24.42 O ATOM 598 CB LEU A 64 -0.643 -3.759 -14.861 1.00 22.22 C ATOM 599 CG LEU A 64 -0.487 -5.079 -15.616 1.00 63.44 C ATOM 600 CD1 LEU A 64 0.131 -4.841 -16.985 1.00 64.03 C ATOM 601 CD2 LEU A 64 0.356 -6.058 -14.812 1.00 21.03 C ATOM 602 H LEU A 64 -2.243 -1.818 -13.447 1.00 0.00 H ATOM 603 N PHE A 65 -3.638 -3.995 -16.433 1.00 10.53 N ATOM 604 CA PHE A 65 -4.874 -4.761 -16.538 1.00 30.24 C ATOM 605 C PHE A 65 -4.668 -6.011 -17.389 1.00 13.23 C ATOM 606 O PHE A 65 -4.141 -5.940 -18.500 1.00 0.44 O ATOM 607 CB PHE A 65 -5.985 -3.898 -17.139 1.00 50.11 C ATOM 608 CG PHE A 65 -7.307 -4.604 -17.235 1.00 13.13 C ATOM 609 CD1 PHE A 65 -7.542 -5.531 -18.238 1.00 2.24 C ATOM 610 CD2 PHE A 65 -8.316 -4.341 -16.321 1.00 64.05 C ATOM 611 CE1 PHE A 65 -8.758 -6.181 -18.328 1.00 60.02 C ATOM 612 CE2 PHE A 65 -9.534 -4.989 -16.407 1.00 2.42 C ATOM 613 CZ PHE A 65 -9.755 -5.911 -17.411 1.00 43.40 C ATOM 614 H PHE A 65 -3.156 -3.688 -17.302 1.00 0.00 H ATOM 615 N LEU A 66 -5.088 -7.155 -16.860 1.00 4.03 N ATOM 616 CA LEU A 66 -4.950 -8.422 -17.569 1.00 64.05 C ATOM 617 C LEU A 66 -6.316 -9.025 -17.878 1.00 33.01 C ATOM 618 O LEU A 66 -7.183 -9.135 -17.011 1.00 34.41 O ATOM 619 CB LEU A 66 -4.121 -9.405 -16.741 1.00 63.44 C ATOM 620 CG LEU A 66 -2.693 -8.969 -16.413 1.00 4.14 C ATOM 621 CD1 LEU A 66 -2.687 -7.998 -15.242 1.00 54.43 C ATOM 622 CD2 LEU A 66 -1.822 -10.179 -16.108 1.00 22.04 C ATOM 623 H LEU A 66 -5.526 -7.147 -15.917 1.00 0.00 H ATOM 624 N PRO A 67 -6.514 -9.427 -19.142 1.00 72.21 N ATOM 625 CA PRO A 67 -7.772 -10.029 -19.594 1.00 15.24 C ATOM 626 C PRO A 67 -7.990 -11.422 -19.013 1.00 13.32 C ATOM 627 O PRO A 67 -9.124 -11.829 -18.762 1.00 21.43 O ATOM 628 CB PRO A 67 -7.605 -10.103 -21.113 1.00 62.33 C ATOM 629 CG PRO A 67 -6.132 -10.150 -21.330 1.00 44.20 C ATOM 630 CD PRO A 67 -5.525 -9.326 -20.228 1.00 23.20 C ATOM 631 N ALA A 68 -6.897 -12.147 -18.801 1.00 71.23 N ATOM 632 CA ALA A 68 -6.969 -13.494 -18.248 1.00 11.45 C ATOM 633 C ALA A 68 -5.587 -13.996 -17.845 1.00 21.23 C ATOM 634 O ALA A 68 -4.799 -14.420 -18.690 1.00 63.40 O ATOM 635 CB ALA A 68 -7.606 -14.444 -19.251 1.00 15.52 C ATOM 636 H ALA A 68 -5.967 -11.744 -19.035 1.00 0.00 H ATOM 637 N VAL A 69 -5.298 -13.945 -16.548 1.00 73.11 N ATOM 638 CA VAL A 69 -4.011 -14.396 -16.033 1.00 42.31 C ATOM 639 C VAL A 69 -3.915 -15.917 -16.047 1.00 72.25 C ATOM 640 O VAL A 69 -4.695 -16.605 -15.390 1.00 51.10 O ATOM 641 CB VAL A 69 -3.773 -13.891 -14.598 1.00 2.24 C ATOM 642 CG1 VAL A 69 -3.516 -12.392 -14.594 1.00 43.44 C ATOM 643 CG2 VAL A 69 -4.956 -14.239 -13.708 1.00 14.03 C ATOM 644 H VAL A 69 -6.008 -13.574 -15.885 1.00 0.00 H ATOM 645 N GLY A 70 -2.952 -16.437 -16.802 1.00 60.23 N ATOM 646 CA GLY A 70 -2.771 -17.875 -16.888 1.00 52.42 C ATOM 647 C GLY A 70 -1.819 -18.403 -15.834 1.00 31.21 C ATOM 648 O GLY A 70 -1.074 -17.638 -15.221 1.00 15.32 O ATOM 649 H GLY A 70 -2.321 -15.807 -17.337 1.00 0.00 H ATOM 650 N ILE A 71 -1.844 -19.715 -15.621 1.00 4.51 N ATOM 651 CA ILE A 71 -0.976 -20.344 -14.633 1.00 13.22 C ATOM 652 C ILE A 71 0.486 -19.988 -14.879 1.00 60.20 C ATOM 653 O ILE A 71 1.281 -19.908 -13.943 1.00 70.40 O ATOM 654 CB ILE A 71 -1.129 -21.876 -14.644 1.00 72.31 C ATOM 655 CG1 ILE A 71 -0.913 -22.443 -13.239 1.00 51.52 C ATOM 656 CG2 ILE A 71 -0.150 -22.499 -15.628 1.00 54.04 C ATOM 657 CD1 ILE A 71 -0.015 -23.659 -13.210 1.00 23.13 C ATOM 658 H ILE A 71 -2.498 -20.307 -16.172 1.00 0.00 H ATOM 659 N GLN A 72 0.832 -19.774 -16.144 1.00 63.22 N ATOM 660 CA GLN A 72 2.199 -19.426 -16.513 1.00 43.31 C ATOM 661 C GLN A 72 2.501 -17.970 -16.171 1.00 23.52 C ATOM 662 O GLN A 72 3.660 -17.591 -15.997 1.00 55.12 O ATOM 663 CB GLN A 72 2.425 -19.668 -18.007 1.00 14.05 C ATOM 664 CG GLN A 72 1.484 -18.876 -18.900 1.00 41.41 C ATOM 665 CD GLN A 72 2.065 -18.619 -20.277 1.00 11.14 C ATOM 666 OE1 GLN A 72 1.506 -19.044 -21.288 1.00 53.52 O ATOM 667 NE2 GLN A 72 3.193 -17.920 -20.322 1.00 63.44 N ATOM 668 HE22 GLN A 72 3.630 -17.581 -19.441 1.00 0.00 H ATOM 669 HE21 GLN A 72 3.639 -17.712 -21.238 1.00 0.00 H ATOM 670 H GLN A 72 0.111 -19.857 -16.889 1.00 0.00 H ATOM 671 N ASP A 73 1.453 -17.160 -16.076 1.00 33.54 N ATOM 672 CA ASP A 73 1.606 -15.746 -15.753 1.00 75.53 C ATOM 673 C ASP A 73 1.777 -15.547 -14.251 1.00 33.14 C ATOM 674 O ASP A 73 2.004 -14.431 -13.786 1.00 3.15 O ATOM 675 CB ASP A 73 0.395 -14.954 -16.251 1.00 25.41 C ATOM 676 CG ASP A 73 0.650 -14.288 -17.589 1.00 32.41 C ATOM 677 OD1 ASP A 73 1.451 -14.831 -18.378 1.00 42.51 O ATOM 678 OD2 ASP A 73 0.048 -13.225 -17.846 1.00 42.54 O ATOM 679 H ASP A 73 0.500 -17.543 -16.236 1.00 0.00 H ATOM 680 N GLU A 74 1.664 -16.637 -13.497 1.00 43.25 N ATOM 681 CA GLU A 74 1.805 -16.580 -12.047 1.00 71.02 C ATOM 682 C GLU A 74 3.226 -16.189 -11.653 1.00 43.02 C ATOM 683 O GLU A 74 4.196 -16.624 -12.273 1.00 31.11 O ATOM 684 CB GLU A 74 1.445 -17.930 -11.424 1.00 75.44 C ATOM 685 CG GLU A 74 2.555 -18.962 -11.524 1.00 62.52 C ATOM 686 CD GLU A 74 2.175 -20.291 -10.901 1.00 35.33 C ATOM 687 OE1 GLU A 74 2.385 -20.457 -9.681 1.00 71.12 O ATOM 688 OE2 GLU A 74 1.666 -21.166 -11.633 1.00 53.54 O ATOM 689 H GLU A 74 1.470 -17.552 -13.953 1.00 0.00 H ATOM 690 N GLY A 75 3.341 -15.363 -10.617 1.00 63.33 N ATOM 691 CA GLY A 75 4.647 -14.926 -10.158 1.00 72.33 C ATOM 692 C GLY A 75 4.582 -13.632 -9.373 1.00 14.35 C ATOM 693 O GLY A 75 3.682 -13.439 -8.555 1.00 34.25 O ATOM 694 H GLY A 75 2.486 -15.026 -10.130 1.00 0.00 H ATOM 695 N ILE A 76 5.538 -12.743 -9.619 1.00 41.02 N ATOM 696 CA ILE A 76 5.585 -11.461 -8.928 1.00 4.41 C ATOM 697 C ILE A 76 5.585 -10.302 -9.919 1.00 12.53 C ATOM 698 O ILE A 76 6.302 -10.325 -10.919 1.00 25.22 O ATOM 699 CB ILE A 76 6.831 -11.352 -8.028 1.00 52.44 C ATOM 700 CG1 ILE A 76 6.739 -12.348 -6.871 1.00 4.02 C ATOM 701 CG2 ILE A 76 6.981 -9.932 -7.502 1.00 64.20 C ATOM 702 CD1 ILE A 76 7.840 -13.386 -6.879 1.00 33.02 C ATOM 703 H ILE A 76 6.271 -12.968 -10.322 1.00 0.00 H ATOM 704 N PHE A 77 4.776 -9.287 -9.633 1.00 54.33 N ATOM 705 CA PHE A 77 4.682 -8.117 -10.499 1.00 11.12 C ATOM 706 C PHE A 77 5.446 -6.938 -9.904 1.00 13.52 C ATOM 707 O PHE A 77 5.342 -6.656 -8.710 1.00 24.23 O ATOM 708 CB PHE A 77 3.217 -7.733 -10.716 1.00 13.22 C ATOM 709 CG PHE A 77 2.469 -8.694 -11.596 1.00 2.44 C ATOM 710 CD1 PHE A 77 2.279 -10.009 -11.203 1.00 44.23 C ATOM 711 CD2 PHE A 77 1.957 -8.282 -12.815 1.00 53.42 C ATOM 712 CE1 PHE A 77 1.592 -10.896 -12.010 1.00 53.54 C ATOM 713 CE2 PHE A 77 1.268 -9.164 -13.626 1.00 52.52 C ATOM 714 CZ PHE A 77 1.086 -10.472 -13.224 1.00 21.41 C ATOM 715 H PHE A 77 4.196 -9.328 -8.771 1.00 0.00 H ATOM 716 N ARG A 78 6.213 -6.252 -10.745 1.00 53.02 N ATOM 717 CA ARG A 78 6.996 -5.104 -10.303 1.00 73.42 C ATOM 718 C ARG A 78 6.792 -3.915 -11.237 1.00 13.11 C ATOM 719 O ARG A 78 6.877 -4.049 -12.458 1.00 51.41 O ATOM 720 CB ARG A 78 8.480 -5.467 -10.239 1.00 65.21 C ATOM 721 CG ARG A 78 8.740 -6.895 -9.785 1.00 54.45 C ATOM 722 CD ARG A 78 10.165 -7.070 -9.285 1.00 72.23 C ATOM 723 NE ARG A 78 10.466 -8.463 -8.967 1.00 73.55 N ATOM 724 CZ ARG A 78 11.611 -8.863 -8.426 1.00 60.02 C ATOM 725 NH1 ARG A 78 12.558 -7.980 -8.144 1.00 3.55 N ATOM 726 NH2 ARG A 78 11.810 -10.149 -8.166 1.00 44.20 N ATOM 727 HE ARG A 78 9.744 -9.182 -9.176 1.00 0.00 H ATOM 728 HH12 ARG A 78 13.454 -8.296 -7.720 1.00 0.00 H ATOM 729 HH11 ARG A 78 12.405 -6.971 -8.346 1.00 0.00 H ATOM 730 HH22 ARG A 78 12.707 -10.461 -7.742 1.00 0.00 H ATOM 731 HH21 ARG A 78 11.069 -10.845 -8.386 1.00 0.00 H ATOM 732 H ARG A 78 6.256 -6.541 -11.743 1.00 0.00 H ATOM 733 N CYS A 79 6.521 -2.752 -10.654 1.00 44.43 N ATOM 734 CA CYS A 79 6.304 -1.538 -11.433 1.00 21.23 C ATOM 735 C CYS A 79 7.228 -0.418 -10.963 1.00 70.14 C ATOM 736 O CYS A 79 7.690 -0.419 -9.823 1.00 13.33 O ATOM 737 CB CYS A 79 4.845 -1.091 -11.322 1.00 41.12 C ATOM 738 SG CYS A 79 4.357 0.165 -12.549 1.00 25.34 S ATOM 739 H CYS A 79 6.462 -2.706 -9.617 1.00 0.00 H ATOM 740 N GLN A 80 7.492 0.535 -11.852 1.00 30.25 N ATOM 741 CA GLN A 80 8.361 1.660 -11.528 1.00 52.31 C ATOM 742 C GLN A 80 7.830 2.952 -12.142 1.00 31.33 C ATOM 743 O GLN A 80 7.303 2.951 -13.254 1.00 2.21 O ATOM 744 CB GLN A 80 9.783 1.393 -12.024 1.00 51.12 C ATOM 745 CG GLN A 80 9.983 1.711 -13.497 1.00 43.21 C ATOM 746 CD GLN A 80 11.421 1.529 -13.943 1.00 52.50 C ATOM 747 OE1 GLN A 80 11.845 0.422 -14.274 1.00 72.12 O ATOM 748 NE2 GLN A 80 12.180 2.619 -13.954 1.00 53.02 N ATOM 749 HE22 GLN A 80 11.779 3.535 -13.666 1.00 0.00 H ATOM 750 HE21 GLN A 80 13.175 2.557 -14.251 1.00 0.00 H ATOM 751 H GLN A 80 7.069 0.477 -12.800 1.00 0.00 H ATOM 752 N ALA A 81 7.972 4.051 -11.409 1.00 12.32 N ATOM 753 CA ALA A 81 7.508 5.350 -11.882 1.00 30.32 C ATOM 754 C ALA A 81 8.531 6.440 -11.583 1.00 41.21 C ATOM 755 O ALA A 81 9.421 6.259 -10.753 1.00 31.34 O ATOM 756 CB ALA A 81 6.167 5.694 -11.250 1.00 24.54 C ATOM 757 H ALA A 81 8.425 3.983 -10.475 1.00 0.00 H ATOM 758 N MET A 82 8.399 7.573 -12.266 1.00 74.51 N ATOM 759 CA MET A 82 9.312 8.693 -12.073 1.00 22.43 C ATOM 760 C MET A 82 8.542 9.991 -11.857 1.00 50.51 C ATOM 761 O MET A 82 7.709 10.373 -12.678 1.00 13.04 O ATOM 762 CB MET A 82 10.244 8.833 -13.278 1.00 71.41 C ATOM 763 CG MET A 82 11.070 10.108 -13.263 1.00 0.52 C ATOM 764 SD MET A 82 12.689 9.897 -14.027 1.00 62.23 S ATOM 765 CE MET A 82 13.579 9.069 -12.712 1.00 21.22 C ATOM 766 H MET A 82 7.625 7.662 -12.955 1.00 0.00 H ATOM 767 N ASN A 83 8.827 10.666 -10.748 1.00 34.12 N ATOM 768 CA ASN A 83 8.159 11.922 -10.424 1.00 64.24 C ATOM 769 C ASN A 83 8.938 13.110 -10.980 1.00 2.31 C ATOM 770 O ASN A 83 10.052 12.956 -11.482 1.00 33.22 O ATOM 771 CB ASN A 83 8.002 12.064 -8.909 1.00 52.32 C ATOM 772 CG ASN A 83 6.728 11.419 -8.397 1.00 45.21 C ATOM 773 OD1 ASN A 83 5.818 12.103 -7.930 1.00 34.12 O ATOM 774 ND2 ASN A 83 6.660 10.096 -8.483 1.00 30.20 N ATOM 775 HD22 ASN A 83 7.455 9.560 -8.886 1.00 0.00 H ATOM 776 HD21 ASN A 83 5.812 9.596 -8.148 1.00 0.00 H ATOM 777 H ASN A 83 9.544 10.290 -10.095 1.00 0.00 H ATOM 778 N ARG A 84 8.345 14.296 -10.886 1.00 32.32 N ATOM 779 CA ARG A 84 8.982 15.511 -11.379 1.00 62.53 C ATOM 780 C ARG A 84 10.152 15.912 -10.486 1.00 22.02 C ATOM 781 O ARG A 84 11.026 16.674 -10.896 1.00 42.32 O ATOM 782 CB ARG A 84 7.966 16.652 -11.451 1.00 23.00 C ATOM 783 CG ARG A 84 7.461 17.104 -10.091 1.00 5.45 C ATOM 784 CD ARG A 84 6.281 18.053 -10.222 1.00 15.31 C ATOM 785 NE ARG A 84 5.086 17.375 -10.719 1.00 2.42 N ATOM 786 CZ ARG A 84 3.860 17.877 -10.617 1.00 24.11 C ATOM 787 NH1 ARG A 84 3.668 19.055 -10.039 1.00 65.15 N ATOM 788 NH2 ARG A 84 2.824 17.200 -11.094 1.00 35.14 N ATOM 789 HE ARG A 84 5.201 16.449 -11.178 1.00 0.00 H ATOM 790 HH12 ARG A 84 2.707 19.445 -9.961 1.00 0.00 H ATOM 791 HH11 ARG A 84 4.478 19.588 -9.664 1.00 0.00 H ATOM 792 HH22 ARG A 84 1.865 17.593 -11.014 1.00 0.00 H ATOM 793 HH21 ARG A 84 2.971 16.276 -11.548 1.00 0.00 H ATOM 794 H ARG A 84 7.403 14.359 -10.450 1.00 0.00 H ATOM 795 N ASN A 85 10.161 15.393 -9.262 1.00 52.31 N ATOM 796 CA ASN A 85 11.223 15.699 -8.310 1.00 74.51 C ATOM 797 C ASN A 85 12.511 14.971 -8.681 1.00 23.23 C ATOM 798 O ASN A 85 13.599 15.356 -8.254 1.00 51.31 O ATOM 799 CB ASN A 85 10.793 15.310 -6.894 1.00 24.12 C ATOM 800 CG ASN A 85 9.632 16.146 -6.391 1.00 45.45 C ATOM 801 OD1 ASN A 85 9.821 17.101 -5.637 1.00 63.22 O ATOM 802 ND2 ASN A 85 8.423 15.791 -6.809 1.00 30.44 N ATOM 803 HD22 ASN A 85 8.311 14.977 -7.446 1.00 0.00 H ATOM 804 HD21 ASN A 85 7.587 16.327 -6.499 1.00 0.00 H ATOM 805 H ASN A 85 9.392 14.753 -8.976 1.00 0.00 H ATOM 806 N GLY A 86 12.380 13.915 -9.479 1.00 2.51 N ATOM 807 CA GLY A 86 13.542 13.151 -9.894 1.00 75.32 C ATOM 808 C GLY A 86 13.613 11.794 -9.221 1.00 45.42 C ATOM 809 O GLY A 86 14.412 10.942 -9.609 1.00 63.42 O ATOM 810 H GLY A 86 11.435 13.634 -9.809 1.00 0.00 H ATOM 811 N LYS A 87 12.778 11.593 -8.208 1.00 11.52 N ATOM 812 CA LYS A 87 12.749 10.332 -7.478 1.00 23.32 C ATOM 813 C LYS A 87 11.852 9.317 -8.179 1.00 55.53 C ATOM 814 O LYS A 87 10.855 9.684 -8.801 1.00 33.42 O ATOM 815 CB LYS A 87 12.259 10.558 -6.046 1.00 10.21 C ATOM 816 CG LYS A 87 13.327 11.108 -5.117 1.00 44.30 C ATOM 817 CD LYS A 87 13.373 12.627 -5.157 1.00 62.41 C ATOM 818 CE LYS A 87 14.766 13.151 -4.843 1.00 62.32 C ATOM 819 NZ LYS A 87 15.194 12.795 -3.462 1.00 44.00 N ATOM 820 HZ1 LYS A 87 14.528 13.206 -2.777 1.00 0.00 H ATOM 821 HZ2 LYS A 87 15.204 11.760 -3.359 1.00 0.00 H ATOM 822 HZ3 LYS A 87 16.148 13.171 -3.288 1.00 0.00 H ATOM 823 H LYS A 87 12.128 12.355 -7.928 1.00 0.00 H ATOM 824 N GLU A 88 12.212 8.042 -8.074 1.00 13.14 N ATOM 825 CA GLU A 88 11.437 6.976 -8.698 1.00 41.10 C ATOM 826 C GLU A 88 10.623 6.214 -7.657 1.00 32.33 C ATOM 827 O GLU A 88 11.065 6.022 -6.524 1.00 24.44 O ATOM 828 CB GLU A 88 12.363 6.012 -9.443 1.00 53.23 C ATOM 829 CG GLU A 88 12.946 4.923 -8.559 1.00 72.54 C ATOM 830 CD GLU A 88 13.731 5.479 -7.388 1.00 44.51 C ATOM 831 OE1 GLU A 88 14.442 6.489 -7.578 1.00 30.14 O ATOM 832 OE2 GLU A 88 13.636 4.906 -6.283 1.00 1.41 O ATOM 833 H GLU A 88 13.067 7.799 -7.534 1.00 0.00 H ATOM 834 N THR A 89 9.428 5.781 -8.049 1.00 2.23 N ATOM 835 CA THR A 89 8.551 5.042 -7.150 1.00 74.35 C ATOM 836 C THR A 89 8.563 3.552 -7.473 1.00 21.12 C ATOM 837 O THR A 89 8.423 3.155 -8.630 1.00 25.01 O ATOM 838 CB THR A 89 7.102 5.560 -7.228 1.00 21.13 C ATOM 839 OG1 THR A 89 7.028 6.675 -8.123 1.00 74.34 O ATOM 840 CG2 THR A 89 6.601 5.974 -5.852 1.00 64.11 C ATOM 841 HG1 THR A 89 6.094 7.000 -8.166 1.00 0.00 H ATOM 842 H THR A 89 9.112 5.975 -9.021 1.00 0.00 H ATOM 843 N LYS A 90 8.731 2.730 -6.442 1.00 75.25 N ATOM 844 CA LYS A 90 8.759 1.282 -6.615 1.00 3.22 C ATOM 845 C LYS A 90 7.462 0.650 -6.121 1.00 60.42 C ATOM 846 O LYS A 90 6.888 1.085 -5.123 1.00 44.41 O ATOM 847 CB LYS A 90 9.950 0.682 -5.864 1.00 12.15 C ATOM 848 CG LYS A 90 11.184 0.497 -6.729 1.00 4.13 C ATOM 849 CD LYS A 90 11.662 1.818 -7.309 1.00 32.21 C ATOM 850 CE LYS A 90 12.657 1.603 -8.439 1.00 31.00 C ATOM 851 NZ LYS A 90 14.062 1.598 -7.947 1.00 24.11 N ATOM 852 HZ1 LYS A 90 14.273 2.511 -7.495 1.00 0.00 H ATOM 853 HZ2 LYS A 90 14.183 0.831 -7.255 1.00 0.00 H ATOM 854 HZ3 LYS A 90 14.708 1.449 -8.748 1.00 0.00 H ATOM 855 H LYS A 90 8.845 3.129 -5.488 1.00 0.00 H ATOM 856 N SER A 91 7.006 -0.381 -6.826 1.00 52.10 N ATOM 857 CA SER A 91 5.775 -1.072 -6.460 1.00 51.15 C ATOM 858 C SER A 91 5.863 -2.556 -6.802 1.00 23.31 C ATOM 859 O SER A 91 6.079 -2.927 -7.955 1.00 23.23 O ATOM 860 CB SER A 91 4.579 -0.442 -7.178 1.00 23.32 C ATOM 861 OG SER A 91 4.364 0.888 -6.739 1.00 34.43 O ATOM 862 HG SER A 91 5.170 1.431 -6.928 1.00 0.00 H ATOM 863 H SER A 91 7.540 -0.702 -7.659 1.00 0.00 H ATOM 864 N ASN A 92 5.695 -3.401 -5.790 1.00 15.14 N ATOM 865 CA ASN A 92 5.756 -4.845 -5.981 1.00 74.42 C ATOM 866 C ASN A 92 4.450 -5.507 -5.551 1.00 53.25 C ATOM 867 O ASN A 92 4.014 -5.360 -4.409 1.00 73.04 O ATOM 868 CB ASN A 92 6.924 -5.437 -5.190 1.00 42.32 C ATOM 869 CG ASN A 92 6.647 -6.852 -4.720 1.00 0.50 C ATOM 870 OD1 ASN A 92 6.787 -7.163 -3.537 1.00 60.12 O ATOM 871 ND2 ASN A 92 6.252 -7.716 -5.647 1.00 73.21 N ATOM 872 HD22 ASN A 92 6.148 -7.407 -6.635 1.00 0.00 H ATOM 873 HD21 ASN A 92 6.047 -8.701 -5.386 1.00 0.00 H ATOM 874 H ASN A 92 5.516 -3.023 -4.838 1.00 0.00 H ATOM 875 N TYR A 93 3.831 -6.235 -6.474 1.00 32.53 N ATOM 876 CA TYR A 93 2.574 -6.918 -6.191 1.00 72.34 C ATOM 877 C TYR A 93 2.675 -8.404 -6.521 1.00 22.50 C ATOM 878 O TYR A 93 2.936 -8.782 -7.663 1.00 54.05 O ATOM 879 CB TYR A 93 1.434 -6.284 -6.990 1.00 70.03 C ATOM 880 CG TYR A 93 0.694 -5.203 -6.235 1.00 75.41 C ATOM 881 CD1 TYR A 93 1.371 -4.117 -5.694 1.00 74.45 C ATOM 882 CD2 TYR A 93 -0.684 -5.268 -6.063 1.00 61.23 C ATOM 883 CE1 TYR A 93 0.698 -3.128 -5.003 1.00 61.52 C ATOM 884 CE2 TYR A 93 -1.365 -4.283 -5.375 1.00 21.03 C ATOM 885 CZ TYR A 93 -0.669 -3.216 -4.846 1.00 55.52 C ATOM 886 OH TYR A 93 -1.343 -2.232 -4.159 1.00 53.34 O ATOM 887 HH TYR A 93 -0.699 -1.547 -3.849 1.00 0.00 H ATOM 888 H TYR A 93 4.253 -6.320 -7.421 1.00 0.00 H ATOM 889 N ARG A 94 2.467 -9.243 -5.511 1.00 72.34 N ATOM 890 CA ARG A 94 2.535 -10.688 -5.692 1.00 71.32 C ATOM 891 C ARG A 94 1.208 -11.234 -6.211 1.00 70.43 C ATOM 892 O ARG A 94 0.145 -10.932 -5.669 1.00 1.32 O ATOM 893 CB ARG A 94 2.899 -11.372 -4.373 1.00 60.11 C ATOM 894 CG ARG A 94 4.168 -10.831 -3.736 1.00 45.44 C ATOM 895 CD ARG A 94 3.925 -10.378 -2.305 1.00 73.32 C ATOM 896 NE ARG A 94 5.065 -10.665 -1.439 1.00 0.11 N ATOM 897 CZ ARG A 94 4.997 -10.671 -0.112 1.00 71.23 C ATOM 898 NH1 ARG A 94 3.849 -10.408 0.497 1.00 21.31 N ATOM 899 NH2 ARG A 94 6.078 -10.941 0.608 1.00 63.34 N ATOM 900 HE ARG A 94 5.980 -10.876 -1.885 1.00 0.00 H ATOM 901 HH12 ARG A 94 3.798 -10.413 1.536 1.00 0.00 H ATOM 902 HH11 ARG A 94 2.999 -10.196 -0.064 1.00 0.00 H ATOM 903 HH22 ARG A 94 6.023 -10.945 1.647 1.00 0.00 H ATOM 904 HH21 ARG A 94 6.980 -11.148 0.134 1.00 0.00 H ATOM 905 H ARG A 94 2.251 -8.859 -4.569 1.00 0.00 H ATOM 906 N VAL A 95 1.278 -12.041 -7.266 1.00 13.31 N ATOM 907 CA VAL A 95 0.083 -12.630 -7.858 1.00 53.42 C ATOM 908 C VAL A 95 0.154 -14.152 -7.841 1.00 62.42 C ATOM 909 O VAL A 95 1.196 -14.738 -8.137 1.00 31.44 O ATOM 910 CB VAL A 95 -0.118 -12.152 -9.309 1.00 33.32 C ATOM 911 CG1 VAL A 95 -1.263 -12.908 -9.966 1.00 13.31 C ATOM 912 CG2 VAL A 95 -0.368 -10.652 -9.346 1.00 23.12 C ATOM 913 H VAL A 95 2.208 -12.257 -7.679 1.00 0.00 H ATOM 914 N ARG A 96 -0.960 -14.788 -7.494 1.00 12.20 N ATOM 915 CA ARG A 96 -1.024 -16.243 -7.438 1.00 20.23 C ATOM 916 C ARG A 96 -2.240 -16.764 -8.198 1.00 14.13 C ATOM 917 O ARG A 96 -3.355 -16.273 -8.018 1.00 21.03 O ATOM 918 CB ARG A 96 -1.076 -16.717 -5.984 1.00 14.20 C ATOM 919 CG ARG A 96 -0.076 -17.815 -5.665 1.00 24.31 C ATOM 920 CD ARG A 96 -0.512 -19.152 -6.244 1.00 32.03 C ATOM 921 NE ARG A 96 -1.387 -19.884 -5.332 1.00 12.23 N ATOM 922 CZ ARG A 96 -0.946 -20.576 -4.287 1.00 13.30 C ATOM 923 NH1 ARG A 96 0.352 -20.629 -4.023 1.00 70.33 N ATOM 924 NH2 ARG A 96 -1.805 -21.215 -3.503 1.00 62.41 N ATOM 925 HE ARG A 96 -2.411 -19.862 -5.510 1.00 0.00 H ATOM 926 HH12 ARG A 96 0.694 -21.171 -3.204 1.00 0.00 H ATOM 927 HH11 ARG A 96 1.028 -20.128 -4.635 1.00 0.00 H ATOM 928 HH22 ARG A 96 -1.459 -21.756 -2.685 1.00 0.00 H ATOM 929 HH21 ARG A 96 -2.824 -21.174 -3.706 1.00 0.00 H ATOM 930 H ARG A 96 -1.807 -14.234 -7.256 1.00 0.00 H ATOM 931 N VAL A 97 -2.018 -17.761 -9.048 1.00 51.24 N ATOM 932 CA VAL A 97 -3.095 -18.349 -9.836 1.00 14.35 C ATOM 933 C VAL A 97 -3.652 -19.597 -9.160 1.00 25.11 C ATOM 934 O VAL A 97 -3.245 -19.950 -8.052 1.00 51.35 O ATOM 935 CB VAL A 97 -2.619 -18.715 -11.254 1.00 1.13 C ATOM 936 CG1 VAL A 97 -1.920 -17.531 -11.905 1.00 15.11 C ATOM 937 CG2 VAL A 97 -1.702 -19.928 -11.211 1.00 2.24 C ATOM 938 H VAL A 97 -1.052 -18.131 -9.154 1.00 0.00 H ATOM 939 N TYR A 98 -4.583 -20.262 -9.834 1.00 20.41 N ATOM 940 CA TYR A 98 -5.197 -21.471 -9.298 1.00 71.41 C ATOM 941 C TYR A 98 -4.167 -22.587 -9.153 1.00 61.41 C ATOM 942 O TYR A 98 -3.662 -22.842 -8.060 1.00 42.50 O ATOM 943 CB TYR A 98 -6.341 -21.932 -10.204 1.00 25.25 C ATOM 944 CG TYR A 98 -6.942 -23.257 -9.792 1.00 54.13 C ATOM 945 CD1 TYR A 98 -7.567 -23.406 -8.561 1.00 34.15 C ATOM 946 CD2 TYR A 98 -6.887 -24.359 -10.636 1.00 63.34 C ATOM 947 CE1 TYR A 98 -8.118 -24.615 -8.181 1.00 2.24 C ATOM 948 CE2 TYR A 98 -7.436 -25.571 -10.265 1.00 62.54 C ATOM 949 CZ TYR A 98 -8.050 -25.694 -9.036 1.00 63.34 C ATOM 950 OH TYR A 98 -8.598 -26.900 -8.662 1.00 51.42 O ATOM 951 HH TYR A 98 -8.995 -26.815 -7.759 1.00 0.00 H ATOM 952 H TYR A 98 -4.881 -19.912 -10.767 1.00 0.00 H ATOM 953 N GLN A 99 -3.861 -23.249 -10.264 1.00 62.23 N ATOM 954 CA GLN A 99 -2.891 -24.338 -10.262 1.00 31.13 C ATOM 955 C GLN A 99 -1.489 -23.818 -9.963 1.00 41.43 C ATOM 956 O GLN A 99 -1.118 -22.724 -10.391 1.00 15.12 O ATOM 957 CB GLN A 99 -2.903 -25.063 -11.609 1.00 1.22 C ATOM 958 CG GLN A 99 -3.119 -26.563 -11.491 1.00 13.13 C ATOM 959 CD GLN A 99 -1.984 -27.261 -10.768 1.00 35.14 C ATOM 960 OE1 GLN A 99 -1.045 -27.754 -11.392 1.00 41.04 O ATOM 961 NE2 GLN A 99 -2.066 -27.307 -9.443 1.00 5.11 N ATOM 962 HE22 GLN A 99 -2.879 -26.877 -8.957 1.00 0.00 H ATOM 963 HE21 GLN A 99 -1.318 -27.773 -8.892 1.00 0.00 H ATOM 964 H GLN A 99 -4.325 -22.984 -11.156 1.00 0.00 H ATOM 965 N ILE A 100 -0.714 -24.607 -9.227 1.00 73.43 N ATOM 966 CA ILE A 100 0.647 -24.226 -8.873 1.00 21.13 C ATOM 967 C ILE A 100 1.654 -25.257 -9.371 1.00 43.22 C ATOM 968 O ILE A 100 1.317 -26.409 -9.646 1.00 10.41 O ATOM 969 CB ILE A 100 0.807 -24.063 -7.350 1.00 25.14 C ATOM 970 CG1 ILE A 100 -0.305 -24.813 -6.615 1.00 33.15 C ATOM 971 CG2 ILE A 100 0.800 -22.590 -6.971 1.00 42.40 C ATOM 972 CD1 ILE A 100 -0.152 -24.798 -5.110 1.00 30.33 C ATOM 973 H ILE A 100 -1.088 -25.519 -8.895 1.00 0.00 H ATOM 974 N PRO A 101 2.922 -24.836 -9.490 1.00 3.23 N ATOM 975 CA PRO A 101 4.006 -25.708 -9.953 1.00 52.32 C ATOM 976 C PRO A 101 4.356 -26.788 -8.935 1.00 43.24 C ATOM 977 O PRO A 101 4.764 -27.890 -9.301 1.00 14.34 O ATOM 978 CB PRO A 101 5.181 -24.745 -10.138 1.00 5.05 C ATOM 979 CG PRO A 101 4.893 -23.613 -9.213 1.00 21.34 C ATOM 980 CD PRO A 101 3.396 -23.476 -9.180 1.00 30.41 C ATOM 981 N GLY A 102 4.195 -26.464 -7.656 1.00 14.01 N ATOM 982 CA GLY A 102 4.498 -27.418 -6.605 1.00 44.23 C ATOM 983 C GLY A 102 5.782 -27.083 -5.871 1.00 53.14 C ATOM 984 O GLY A 102 5.751 -26.554 -4.760 1.00 52.32 O ATOM 985 H GLY A 102 3.848 -25.516 -7.406 1.00 0.00 H ATOM 986 N LYS A 103 6.915 -27.393 -6.493 1.00 13.15 N ATOM 987 CA LYS A 103 8.216 -27.122 -5.892 1.00 73.43 C ATOM 988 C LYS A 103 8.679 -25.705 -6.213 1.00 52.10 C ATOM 989 O LYS A 103 8.543 -25.221 -7.337 1.00 64.42 O ATOM 990 CB LYS A 103 9.251 -28.134 -6.391 1.00 15.41 C ATOM 991 CG LYS A 103 10.664 -27.840 -5.919 1.00 42.13 C ATOM 992 CD LYS A 103 11.682 -28.720 -6.625 1.00 73.41 C ATOM 993 CE LYS A 103 11.545 -30.176 -6.206 1.00 71.22 C ATOM 994 NZ LYS A 103 12.414 -31.071 -7.019 1.00 72.34 N ATOM 995 HZ1 LYS A 103 12.148 -30.993 -8.021 1.00 0.00 H ATOM 996 HZ2 LYS A 103 13.408 -30.789 -6.900 1.00 0.00 H ATOM 997 HZ3 LYS A 103 12.291 -32.054 -6.702 1.00 0.00 H ATOM 998 H LYS A 103 6.873 -27.840 -7.431 1.00 0.00 H ATOM 999 N PRO A 104 9.240 -25.022 -5.204 1.00 72.10 N ATOM 1000 CA PRO A 104 9.736 -23.651 -5.355 1.00 62.25 C ATOM 1001 C PRO A 104 10.985 -23.580 -6.228 1.00 12.22 C ATOM 1002 O PRO A 104 11.615 -24.599 -6.509 1.00 51.51 O ATOM 1003 CB PRO A 104 10.062 -23.231 -3.920 1.00 20.30 C ATOM 1004 CG PRO A 104 10.330 -24.509 -3.203 1.00 61.41 C ATOM 1005 CD PRO A 104 9.433 -25.536 -3.838 1.00 23.13 C ATOM 1006 N GLU A 105 11.336 -22.370 -6.652 1.00 44.01 N ATOM 1007 CA GLU A 105 12.510 -22.167 -7.493 1.00 64.40 C ATOM 1008 C GLU A 105 13.792 -22.260 -6.670 1.00 11.53 C ATOM 1009 O GLU A 105 13.752 -22.493 -5.462 1.00 74.05 O ATOM 1010 CB GLU A 105 12.437 -20.808 -8.191 1.00 75.05 C ATOM 1011 CG GLU A 105 12.711 -19.633 -7.268 1.00 24.43 C ATOM 1012 CD GLU A 105 12.481 -18.295 -7.942 1.00 4.31 C ATOM 1013 OE1 GLU A 105 12.311 -18.274 -9.179 1.00 25.12 O ATOM 1014 OE2 GLU A 105 12.471 -17.267 -7.232 1.00 23.54 O ATOM 1015 H GLU A 105 10.760 -21.549 -6.378 1.00 0.00 H TER 1016 GLU A 105 HETATM 1017 N IOR A 1 10.688 -2.857 -4.946 1.00 0.23 N HETATM 1018 CA IOR A 1 9.735 -3.929 -5.247 1.00 0.03 C HETATM 1019 C IOR A 1 9.885 -5.072 -4.284 1.00 0.08 C HETATM 1020 O IOR A 1 9.148 -5.126 -3.294 1.00 -0.56 O HETATM 1021 O1 IOR A 1 10.752 -5.965 -4.483 1.00 -0.56 O HETATM 1022 CB IOR A 1 10.079 -4.552 -6.664 1.00 0.01 C HETATM 1023 CG IOR A 1 11.530 -4.987 -6.642 1.00 -0.01 C HETATM 1024 CD IOR A 1 12.440 -4.274 -7.516 1.00 0.06 C HETATM 1025 NE IOR A 1 11.893 -4.513 -8.818 1.00 -0.27 N HETATM 1026 C1 IOR A 1 11.281 -3.511 -9.457 1.00 0.29 C HETATM 1027 N5 IOR A 1 11.180 -2.258 -8.910 1.00 -0.24 N HETATM 1028 C4 IOR A 1 10.246 -1.587 -9.717 1.00 0.21 C HETATM 1029 O4 IOR A 1 10.217 -0.174 -9.683 1.00 -0.36 O HETATM 1030 H14 IOR A 1 9.543 0.142 -10.273 1.00 0.21 H HETATM 1031 C3 IOR A 1 10.308 -2.227 -11.079 1.00 0.13 C HETATM 1032 N2 IOR A 1 10.660 -3.556 -10.720 1.00 -0.26 N HETATM 1033 H12 IOR A 1 10.491 -4.402 -11.283 1.00 0.26 H HETATM 1034 C6 IOR A 1 11.474 -1.617 -11.871 1.00 -0.02 C HETATM 1035 H16 IOR A 1 11.222 -0.586 -12.159 1.00 0.03 H HETATM 1036 H17 IOR A 1 11.656 -2.216 -12.775 1.00 0.03 H HETATM 1037 H18 IOR A 1 12.379 -1.612 -11.246 1.00 0.03 H HETATM 1038 H15 IOR A 1 9.361 -2.160 -11.634 1.00 0.08 H HETATM 1039 H13 IOR A 1 9.264 -1.867 -9.308 1.00 0.11 H HETATM 1040 H11 IOR A 1 11.679 -1.889 -8.088 1.00 0.27 H HETATM 1041 H19 IOR A 1 11.970 -5.442 -9.255 1.00 0.26 H HETATM 1042 H9 IOR A 1 13.461 -4.676 -7.436 1.00 0.07 H HETATM 1043 H10 IOR A 1 12.450 -3.199 -7.283 1.00 0.07 H HETATM 1044 H7 IOR A 1 11.563 -6.050 -6.923 1.00 0.03 H HETATM 1045 H8 IOR A 1 11.897 -4.869 -5.612 1.00 0.03 H HETATM 1046 H5 IOR A 1 9.927 -3.798 -7.450 1.00 0.03 H HETATM 1047 H6 IOR A 1 9.432 -5.420 -6.858 1.00 0.03 H HETATM 1048 H4 IOR A 1 8.709 -3.533 -5.226 1.00 0.10 H HETATM 1049 H1 IOR A 1 10.566 -2.104 -5.605 1.00 0.20 H HETATM 1050 H2 IOR A 1 11.628 -3.214 -5.014 1.00 0.20 H HETATM 1051 H3 IOR A 1 10.525 -2.515 -4.012 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 161 160 738 CONECT 738 161 737 CONECT 1017 1018 1049 1050 1051 CONECT 1018 1017 1019 1022 1048 CONECT 1019 1018 1020 1021 CONECT 1020 1019 CONECT 1021 1019 CONECT 1022 1018 1023 1046 1047 CONECT 1023 1022 1024 1044 1045 CONECT 1024 1023 1025 1042 1043 CONECT 1025 1024 1026 1041 CONECT 1026 1025 1027 1032 CONECT 1027 1026 1028 1040 CONECT 1028 1027 1029 1031 1039 CONECT 1029 1028 1030 CONECT 1030 1029 CONECT 1031 1028 1032 1034 1038 CONECT 1032 1026 1031 1033 CONECT 1033 1032 CONECT 1034 1031 1035 1036 1037 CONECT 1035 1034 CONECT 1036 1034 CONECT 1037 1034 CONECT 1038 1031 CONECT 1039 1028 CONECT 1040 1027 CONECT 1041 1025 CONECT 1042 1024 CONECT 1043 1024 CONECT 1044 1023 CONECT 1045 1023 CONECT 1046 1022 CONECT 1047 1022 CONECT 1048 1018 CONECT 1049 1017 CONECT 1050 1017 CONECT 1051 1017 MASTER 0 0 0 0 0 0 0 0 1050 1 41 9 END
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Related entries of code: 2mov
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2l7u
RCSB PDB
PDBbind
105aa, >2L7U_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2mov
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Advanced glycosylation end product-specific receptor V domain
Ligand Name
IOR
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=40nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Biochemistry Vol. 53: pp. 3327-3335
Ligand Properties
Formula
C
9
H
2
0
N
4
O
3
Molecular Weight
232.280
Exact Mass
232.154
No. of atoms
36
No. of bonds
36
Polar Surface Area
123.2
LOGP Value
-3.26 (
Computed with XLOGP3
)
-3.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
Canonical SMILES
[NH3+][C@H](C(=O)O)CCC/[NH+]=C/1\N[C@H]([C@H](N1)C)O
InChI String
InChI=1S/C9H18N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-7,14H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13)/p+2/t5-,6+,7+/m1/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):
Q15109
Entrez Gene ID
NCBI Entrez Gene ID:
177
ASD
Information of known allosteric effects of PDB entries
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