Browse entries in the PDBbind-CN Database
HEADER 3QIN_COMPLEX COMPND 3QIN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 48 VAL LYS ASN VAL ASP LEU VAL ASN GLN ILE ILE GLU GLN SEQRES 2 A 48 LEU ILE LYS LYS GLU LYS VAL TYR LEU ALA TRP VAL PRO SEQRES 3 A 48 ALA HIS LYS GLY ILE GLY GLY ASN GLU GLN VAL ASP LYS SEQRES 4 A 48 LEU VAL SER ALA GLY ILE ARG LYS VAL SEQRES 1 A 89 MET TYR GLN LEU GLU LYS GLU PRO ILE VAL GLY ALA GLU SEQRES 2 A 89 THR PHE TYR VAL ASP GLY ALA ALA ASN ARG GLU THR LYS SEQRES 3 A 89 LEU GLY LYS ALA GLY TYR VAL THR ASN ARG GLY ARG GLN SEQRES 4 A 89 LYS VAL VAL THR LEU THR ASP THR THR ASN GLN LYS THR SEQRES 5 A 89 GLU LEU GLN ALA ILE TYR LEU ALA LEU GLN ASP SER GLY SEQRES 6 A 89 LEU GLU VAL ASN ILE VAL THR ASP SER GLN TYR ALA LEU SEQRES 7 A 89 GLY ILE ILE THR GLN TRP ILE HIS ASN TRP LYS HET MN A 1 1 HET MN A 2 1 HET P A 1Y 31 ATOM 1 N VAL A 98 -2.513 -6.224 11.711 1.00 59.18 N ATOM 2 CA VAL A 98 -3.927 -6.576 11.817 1.00 60.90 C ATOM 3 C VAL A 98 -4.715 -5.527 12.607 1.00 57.30 C ATOM 4 O VAL A 98 -5.894 -5.290 12.341 1.00 60.86 O ATOM 5 CB VAL A 98 -4.119 -7.951 12.472 1.00 63.08 C ATOM 6 CG1 VAL A 98 -5.600 -8.261 12.614 1.00 63.82 C ATOM 7 CG2 VAL A 98 -3.412 -9.028 11.662 1.00 63.64 C ATOM 8 HA VAL A 98 -4.312 -6.611 10.798 1.00 0.00 H ATOM 9 HB VAL A 98 -3.676 -7.933 13.468 1.00 0.00 H ATOM 10 HG11 VAL A 98 -6.071 -7.500 13.235 1.00 0.00 H ATOM 11 HG12 VAL A 98 -6.065 -8.266 11.628 1.00 0.00 H ATOM 12 HG13 VAL A 98 -5.722 -9.239 13.080 1.00 0.00 H ATOM 13 HG21 VAL A 98 -3.826 -9.053 10.654 1.00 0.00 H ATOM 14 HG22 VAL A 98 -2.347 -8.803 11.613 1.00 0.00 H ATOM 15 HG23 VAL A 98 -3.559 -9.996 12.141 1.00 0.00 H ATOM 16 HN3 VAL A 98 -2.102 -6.154 12.664 1.00 0.00 H ATOM 17 HN2 VAL A 98 -2.420 -5.310 11.224 1.00 0.00 H ATOM 18 HN1 VAL A 98 -2.014 -6.958 11.170 1.00 0.00 H ATOM 19 N LYS A 99 -4.051 -4.896 13.569 1.00 48.93 N ATOM 20 CA LYS A 99 -4.684 -3.897 14.425 1.00 45.10 C ATOM 21 C LYS A 99 -4.003 -2.547 14.238 1.00 36.34 C ATOM 22 O LYS A 99 -2.776 -2.467 14.235 1.00 41.91 O ATOM 23 CB LYS A 99 -4.590 -4.329 15.887 1.00 46.06 C ATOM 24 CG LYS A 99 -5.098 -3.309 16.886 1.00 50.47 C ATOM 25 CD LYS A 99 -4.832 -3.783 18.311 1.00 55.18 C ATOM 26 CE LYS A 99 -3.340 -3.975 18.546 1.00 57.61 C ATOM 27 NZ LYS A 99 -3.015 -4.243 19.971 1.00 58.06 N ATOM 28 HA LYS A 99 -5.734 -3.807 14.148 1.00 0.00 H ATOM 29 HB2 LYS A 99 -5.172 -5.242 16.009 1.00 0.00 H ATOM 30 HB3 LYS A 99 -3.544 -4.534 16.114 1.00 0.00 H ATOM 31 HG2 LYS A 99 -4.588 -2.360 16.722 1.00 0.00 H ATOM 32 HG3 LYS A 99 -6.170 -3.173 16.747 1.00 0.00 H ATOM 33 HD2 LYS A 99 -5.212 -3.040 19.012 1.00 0.00 H ATOM 34 HD3 LYS A 99 -5.345 -4.731 18.475 1.00 0.00 H ATOM 35 HE2 LYS A 99 -2.818 -3.071 18.233 1.00 0.00 H ATOM 36 HE3 LYS A 99 -2.997 -4.817 17.945 1.00 0.00 H ATOM 37 HZ1 LYS A 99 -3.330 -3.441 20.554 1.00 0.00 H ATOM 38 HZ2 LYS A 99 -3.501 -5.109 20.279 1.00 0.00 H ATOM 39 HZ3 LYS A 99 -1.987 -4.366 20.074 1.00 0.00 H ATOM 40 H LYS A 99 -3.047 -5.121 13.717 1.00 0.00 H ATOM 41 N ASN A 100 -4.802 -1.493 14.088 1.00 30.13 N ATOM 42 CA ASN A 100 -4.278 -0.169 13.749 1.00 33.97 C ATOM 43 C ASN A 100 -3.529 -0.211 12.430 1.00 39.76 C ATOM 44 O ASN A 100 -2.611 0.581 12.198 1.00 32.40 O ATOM 45 CB ASN A 100 -3.355 0.359 14.849 1.00 33.27 C ATOM 46 CG ASN A 100 -4.024 0.387 16.203 1.00 29.97 C ATOM 47 OD1 ASN A 100 -5.159 0.857 16.345 1.00 32.19 O ATOM 48 ND2 ASN A 100 -3.332 -0.122 17.205 1.00 28.65 N ATOM 49 HA ASN A 100 -5.128 0.507 13.655 1.00 0.00 H ATOM 50 HB2 ASN A 100 -2.476 -0.283 14.906 1.00 0.00 H ATOM 51 HB3 ASN A 100 -3.047 1.372 14.590 1.00 0.00 H ATOM 52 HD22 ASN A 100 -2.380 -0.506 17.037 1.00 0.00 H ATOM 53 HD21 ASN A 100 -3.738 -0.139 18.162 1.00 0.00 H ATOM 54 H ASN A 100 -5.827 -1.614 14.215 1.00 0.00 H ATOM 55 N VAL A 101 -3.933 -1.144 11.572 1.00 42.74 N ATOM 56 CA VAL A 101 -3.245 -1.415 10.316 1.00 48.92 C ATOM 57 C VAL A 101 -3.166 -0.193 9.420 1.00 43.40 C ATOM 58 O VAL A 101 -2.095 0.149 8.921 1.00 48.80 O ATOM 59 CB VAL A 101 -3.925 -2.562 9.528 1.00 57.66 C ATOM 60 CG1 VAL A 101 -3.722 -3.865 10.239 1.00 62.54 C ATOM 61 CG2 VAL A 101 -5.408 -2.281 9.342 1.00 59.56 C ATOM 62 HA VAL A 101 -2.234 -1.710 10.596 1.00 0.00 H ATOM 63 HB VAL A 101 -3.466 -2.626 8.541 1.00 0.00 H ATOM 64 HG11 VAL A 101 -2.655 -4.070 10.321 1.00 0.00 H ATOM 65 HG12 VAL A 101 -4.160 -3.806 11.235 1.00 0.00 H ATOM 66 HG13 VAL A 101 -4.204 -4.664 9.676 1.00 0.00 H ATOM 67 HG21 VAL A 101 -5.885 -2.192 10.318 1.00 0.00 H ATOM 68 HG22 VAL A 101 -5.534 -1.350 8.789 1.00 0.00 H ATOM 69 HG23 VAL A 101 -5.865 -3.100 8.786 1.00 0.00 H ATOM 70 H VAL A 101 -4.777 -1.705 11.808 1.00 0.00 H ATOM 71 N ASP A 102 -4.302 0.455 9.207 1.00 42.98 N ATOM 72 CA ASP A 102 -4.347 1.629 8.362 1.00 49.75 C ATOM 73 C ASP A 102 -3.334 2.651 8.856 1.00 46.46 C ATOM 74 O ASP A 102 -2.474 3.101 8.097 1.00 43.46 O ATOM 75 CB ASP A 102 -5.753 2.232 8.359 1.00 59.24 C ATOM 76 CG ASP A 102 -6.721 1.451 7.486 1.00 63.82 C ATOM 77 OD1 ASP A 102 -6.322 0.389 6.958 1.00 63.08 O ATOM 78 OD2 ASP A 102 -7.879 1.898 7.331 1.00 64.29 O ATOM 79 HA ASP A 102 -4.097 1.342 7.341 1.00 0.00 H ATOM 80 HB2 ASP A 102 -6.132 2.240 9.381 1.00 0.00 H ATOM 81 HB3 ASP A 102 -5.694 3.255 7.987 1.00 0.00 H ATOM 82 H ASP A 102 -5.176 0.114 9.655 1.00 0.00 H ATOM 83 N LEU A 517 -3.428 2.985 10.142 1.00 37.97 N ATOM 84 CA LEU A 517 -2.607 4.033 10.732 1.00 31.55 C ATOM 85 C LEU A 517 -1.103 3.753 10.638 1.00 29.96 C ATOM 86 O LEU A 517 -0.312 4.664 10.357 1.00 33.06 O ATOM 87 CB LEU A 517 -3.034 4.276 12.175 1.00 32.82 C ATOM 88 CG LEU A 517 -2.312 5.367 12.959 1.00 33.67 C ATOM 89 CD1 LEU A 517 -2.426 6.712 12.256 1.00 39.08 C ATOM 90 CD2 LEU A 517 -2.870 5.438 14.368 1.00 31.86 C ATOM 91 HA LEU A 517 -2.774 4.938 10.147 1.00 0.00 H ATOM 92 HB2 LEU A 517 -4.093 4.533 12.161 1.00 0.00 H ATOM 93 HB3 LEU A 517 -2.895 3.340 12.717 1.00 0.00 H ATOM 94 HG LEU A 517 -1.252 5.118 13.014 1.00 0.00 H ATOM 95 HD21 LEU A 517 -3.935 5.668 14.325 1.00 0.00 H ATOM 96 HD22 LEU A 517 -2.724 4.479 14.864 1.00 0.00 H ATOM 97 HD23 LEU A 517 -2.351 6.219 14.924 1.00 0.00 H ATOM 98 HD11 LEU A 517 -1.980 6.641 11.264 1.00 0.00 H ATOM 99 HD12 LEU A 517 -3.477 6.985 12.164 1.00 0.00 H ATOM 100 HD13 LEU A 517 -1.902 7.470 12.838 1.00 0.00 H ATOM 101 H LEU A 517 -4.110 2.481 10.744 1.00 0.00 H ATOM 102 N VAL A 518 -0.708 2.506 10.872 1.00 24.97 N ATOM 103 CA VAL A 518 0.689 2.105 10.704 1.00 25.51 C ATOM 104 C VAL A 518 1.181 2.317 9.272 1.00 38.95 C ATOM 105 O VAL A 518 2.279 2.837 9.055 1.00 32.08 O ATOM 106 CB VAL A 518 0.888 0.630 11.089 1.00 31.19 C ATOM 107 CG1 VAL A 518 2.303 0.173 10.773 1.00 31.27 C ATOM 108 CG2 VAL A 518 0.601 0.464 12.554 1.00 27.13 C ATOM 109 HA VAL A 518 1.275 2.741 11.368 1.00 0.00 H ATOM 110 HB VAL A 518 0.202 0.014 10.508 1.00 0.00 H ATOM 111 HG11 VAL A 518 2.490 0.285 9.705 1.00 0.00 H ATOM 112 HG12 VAL A 518 3.013 0.781 11.333 1.00 0.00 H ATOM 113 HG13 VAL A 518 2.417 -0.874 11.055 1.00 0.00 H ATOM 114 HG21 VAL A 518 1.283 1.090 13.130 1.00 0.00 H ATOM 115 HG22 VAL A 518 -0.428 0.762 12.758 1.00 0.00 H ATOM 116 HG23 VAL A 518 0.740 -0.580 12.834 1.00 0.00 H ATOM 117 H VAL A 518 -1.407 1.800 11.181 1.00 0.00 H ATOM 118 N ASN A 519 0.380 1.903 8.294 1.00 41.11 N ATOM 119 CA ASN A 519 0.802 2.010 6.901 1.00 40.40 C ATOM 120 C ASN A 519 0.817 3.472 6.422 1.00 37.09 C ATOM 121 O ASN A 519 1.635 3.842 5.588 1.00 43.89 O ATOM 122 CB ASN A 519 -0.019 1.078 5.975 1.00 39.24 C ATOM 123 CG ASN A 519 0.415 -0.384 6.067 1.00 43.45 C ATOM 124 OD1 ASN A 519 1.594 -0.715 5.902 1.00 39.35 O ATOM 125 ND2 ASN A 519 -0.544 -1.266 6.331 1.00 48.90 N ATOM 126 HA ASN A 519 1.832 1.659 6.843 1.00 0.00 H ATOM 127 HB2 ASN A 519 -1.070 1.147 6.255 1.00 0.00 H ATOM 128 HB3 ASN A 519 0.104 1.414 4.945 1.00 0.00 H ATOM 129 HD22 ASN A 519 -1.524 -0.944 6.463 1.00 0.00 H ATOM 130 HD21 ASN A 519 -0.314 -2.278 6.406 1.00 0.00 H ATOM 131 H ASN A 519 -0.551 1.501 8.523 1.00 0.00 H ATOM 132 N GLN A 520 -0.073 4.297 6.973 1.00 35.85 N ATOM 133 CA GLN A 520 -0.064 5.733 6.730 1.00 37.86 C ATOM 134 C GLN A 520 1.181 6.405 7.311 1.00 35.18 C ATOM 135 O GLN A 520 1.710 7.357 6.748 1.00 28.19 O ATOM 136 CB GLN A 520 -1.311 6.393 7.308 1.00 39.67 C ATOM 137 CG GLN A 520 -2.612 5.858 6.743 1.00 49.64 C ATOM 138 CD GLN A 520 -3.826 6.558 7.317 1.00 60.86 C ATOM 139 OE1 GLN A 520 -3.704 7.485 8.119 1.00 67.31 O ATOM 140 NE2 GLN A 520 -5.010 6.117 6.908 1.00 64.06 N ATOM 141 HA GLN A 520 -0.052 5.866 5.648 1.00 0.00 H ATOM 142 HB2 GLN A 520 -1.314 6.234 8.386 1.00 0.00 H ATOM 143 HB3 GLN A 520 -1.261 7.462 7.100 1.00 0.00 H ATOM 144 HG2 GLN A 520 -2.607 5.997 5.662 1.00 0.00 H ATOM 145 HG3 GLN A 520 -2.681 4.794 6.971 1.00 0.00 H ATOM 146 HE22 GLN A 520 -5.066 5.331 6.229 1.00 0.00 H ATOM 147 HE21 GLN A 520 -5.881 6.558 7.266 1.00 0.00 H ATOM 148 H GLN A 520 -0.802 3.900 7.600 1.00 0.00 H ATOM 149 N ILE A 521 1.632 5.922 8.458 1.00 35.56 N ATOM 150 CA ILE A 521 2.893 6.385 9.014 1.00 29.58 C ATOM 151 C ILE A 521 4.040 5.961 8.094 1.00 26.62 C ATOM 152 O ILE A 521 4.943 6.748 7.810 1.00 27.23 O ATOM 153 CB ILE A 521 3.103 5.824 10.446 1.00 22.92 C ATOM 154 CG1 ILE A 521 2.210 6.573 11.418 1.00 22.17 C ATOM 155 CG2 ILE A 521 4.565 5.878 10.836 1.00 21.47 C ATOM 156 CD1 ILE A 521 2.147 5.917 12.823 1.00 23.22 C ATOM 157 HA ILE A 521 2.873 7.473 9.083 1.00 0.00 H ATOM 158 HB ILE A 521 2.817 4.772 10.475 1.00 0.00 H ATOM 159 HG12 ILE A 521 2.591 7.588 11.527 1.00 0.00 H ATOM 160 HG13 ILE A 521 1.201 6.607 11.006 1.00 0.00 H ATOM 161 HD11 ILE A 521 1.757 4.903 12.732 1.00 0.00 H ATOM 162 HD12 ILE A 521 3.148 5.885 13.253 1.00 0.00 H ATOM 163 HD13 ILE A 521 1.492 6.503 13.467 1.00 0.00 H ATOM 164 HG21 ILE A 521 5.149 5.281 10.135 1.00 0.00 H ATOM 165 HG22 ILE A 521 4.909 6.912 10.809 1.00 0.00 H ATOM 166 HG23 ILE A 521 4.686 5.479 11.843 1.00 0.00 H ATOM 167 H ILE A 521 1.078 5.204 8.967 1.00 0.00 H ATOM 168 N ILE A 522 4.001 4.722 7.607 1.00 24.03 N ATOM 169 CA ILE A 522 5.060 4.273 6.718 1.00 22.79 C ATOM 170 C ILE A 522 5.039 5.121 5.451 1.00 23.71 C ATOM 171 O ILE A 522 6.090 5.459 4.898 1.00 24.95 O ATOM 172 CB ILE A 522 4.969 2.775 6.370 1.00 23.49 C ATOM 173 CG1 ILE A 522 5.103 1.956 7.644 1.00 30.76 C ATOM 174 CG2 ILE A 522 6.087 2.397 5.421 1.00 28.53 C ATOM 175 CD1 ILE A 522 6.424 2.139 8.304 1.00 29.14 C ATOM 176 HA ILE A 522 6.006 4.400 7.244 1.00 0.00 H ATOM 177 HB ILE A 522 4.008 2.575 5.896 1.00 0.00 H ATOM 178 HG12 ILE A 522 4.320 2.260 8.339 1.00 0.00 H ATOM 179 HG13 ILE A 522 4.979 0.902 7.397 1.00 0.00 H ATOM 180 HD11 ILE A 522 7.216 1.830 7.621 1.00 0.00 H ATOM 181 HD12 ILE A 522 6.556 3.189 8.564 1.00 0.00 H ATOM 182 HD13 ILE A 522 6.464 1.531 9.208 1.00 0.00 H ATOM 183 HG21 ILE A 522 6.000 2.985 4.507 1.00 0.00 H ATOM 184 HG22 ILE A 522 7.048 2.599 5.895 1.00 0.00 H ATOM 185 HG23 ILE A 522 6.015 1.336 5.181 1.00 0.00 H ATOM 186 H ILE A 522 3.221 4.082 7.860 1.00 0.00 H ATOM 187 N GLU A 523 3.837 5.482 5.018 1.00 21.86 N ATOM 188 CA GLU A 523 3.679 6.300 3.807 1.00 29.02 C ATOM 189 C GLU A 523 4.316 7.688 3.961 1.00 28.77 C ATOM 190 O GLU A 523 4.875 8.234 3.003 1.00 25.69 O ATOM 191 CB GLU A 523 2.200 6.440 3.458 1.00 36.26 C ATOM 192 CG GLU A 523 1.906 7.321 2.282 1.00 40.27 C ATOM 193 CD GLU A 523 0.429 7.348 1.953 1.00 48.53 C ATOM 194 OE1 GLU A 523 -0.390 7.184 2.884 1.00 47.03 O ATOM 195 OE2 GLU A 523 0.088 7.523 0.764 1.00 49.60 O ATOM 196 HA GLU A 523 4.199 5.788 2.997 1.00 0.00 H ATOM 197 HB2 GLU A 523 1.808 5.446 3.242 1.00 0.00 H ATOM 198 HB3 GLU A 523 1.685 6.852 4.326 1.00 0.00 H ATOM 199 HG2 GLU A 523 2.235 8.335 2.510 1.00 0.00 H ATOM 200 HG3 GLU A 523 2.454 6.948 1.416 1.00 0.00 H ATOM 201 H GLU A 523 2.992 5.181 5.545 1.00 0.00 H ATOM 202 N GLN A 524 4.208 8.255 5.161 1.00 25.73 N ATOM 203 CA GLN A 524 4.869 9.517 5.484 1.00 23.48 C ATOM 204 C GLN A 524 6.376 9.309 5.597 1.00 21.24 C ATOM 205 O GLN A 524 7.166 10.122 5.125 1.00 22.07 O ATOM 206 CB GLN A 524 4.409 10.018 6.848 1.00 31.53 C ATOM 207 CG GLN A 524 3.023 10.611 6.939 1.00 35.66 C ATOM 208 CD GLN A 524 2.642 10.852 8.395 1.00 35.03 C ATOM 209 OE1 GLN A 524 2.658 9.921 9.212 1.00 42.95 O ATOM 210 NE2 GLN A 524 2.335 12.101 8.736 1.00 31.79 N ATOM 211 HA GLN A 524 4.622 10.226 4.694 1.00 0.00 H ATOM 212 HB2 GLN A 524 4.450 9.175 7.537 1.00 0.00 H ATOM 213 HB3 GLN A 524 5.114 10.784 7.170 1.00 0.00 H ATOM 214 HG2 GLN A 524 3.001 11.558 6.400 1.00 0.00 H ATOM 215 HG3 GLN A 524 2.307 9.923 6.490 1.00 0.00 H ATOM 216 HE22 GLN A 524 2.334 12.851 8.016 1.00 0.00 H ATOM 217 HE21 GLN A 524 2.096 12.327 9.723 1.00 0.00 H ATOM 218 H GLN A 524 3.635 7.785 5.891 1.00 0.00 H ATOM 219 N LEU A 525 6.773 8.251 6.292 1.00 21.75 N ATOM 220 CA LEU A 525 8.188 7.997 6.531 1.00 20.55 C ATOM 221 C LEU A 525 9.021 7.964 5.259 1.00 23.64 C ATOM 222 O LEU A 525 10.091 8.563 5.198 1.00 23.30 O ATOM 223 CB LEU A 525 8.387 6.660 7.275 1.00 23.42 C ATOM 224 CG LEU A 525 8.276 6.618 8.796 1.00 25.41 C ATOM 225 CD1 LEU A 525 8.457 5.161 9.240 1.00 23.14 C ATOM 226 CD2 LEU A 525 9.300 7.505 9.489 1.00 22.44 C ATOM 227 HA LEU A 525 8.533 8.834 7.138 1.00 0.00 H ATOM 228 HB2 LEU A 525 7.642 5.966 6.884 1.00 0.00 H ATOM 229 HB3 LEU A 525 9.384 6.302 7.020 1.00 0.00 H ATOM 230 HG LEU A 525 7.297 7.003 9.082 1.00 0.00 H ATOM 231 HD21 LEU A 525 10.304 7.178 9.220 1.00 0.00 H ATOM 232 HD22 LEU A 525 9.157 8.538 9.173 1.00 0.00 H ATOM 233 HD23 LEU A 525 9.170 7.432 10.569 1.00 0.00 H ATOM 234 HD11 LEU A 525 7.680 4.545 8.787 1.00 0.00 H ATOM 235 HD12 LEU A 525 9.437 4.805 8.922 1.00 0.00 H ATOM 236 HD13 LEU A 525 8.382 5.101 10.326 1.00 0.00 H ATOM 237 H LEU A 525 6.063 7.593 6.672 1.00 0.00 H ATOM 238 N ILE A 526 8.556 7.239 4.244 1.00 22.08 N ATOM 239 CA ILE A 526 9.372 7.052 3.059 1.00 26.19 C ATOM 240 C ILE A 526 9.621 8.337 2.284 1.00 21.30 C ATOM 241 O ILE A 526 10.575 8.429 1.506 1.00 25.43 O ATOM 242 CB ILE A 526 8.822 5.955 2.119 1.00 28.76 C ATOM 243 CG1 ILE A 526 7.395 6.255 1.663 1.00 22.27 C ATOM 244 CG2 ILE A 526 8.889 4.601 2.806 1.00 31.05 C ATOM 245 CD1 ILE A 526 6.890 5.197 0.600 1.00 25.98 C ATOM 246 HA ILE A 526 10.335 6.715 3.443 1.00 0.00 H ATOM 247 HB ILE A 526 9.448 5.937 1.227 1.00 0.00 H ATOM 248 HG12 ILE A 526 6.734 6.230 2.529 1.00 0.00 H ATOM 249 HG13 ILE A 526 7.368 7.248 1.215 1.00 0.00 H ATOM 250 HD11 ILE A 526 7.543 5.220 -0.272 1.00 0.00 H ATOM 251 HD12 ILE A 526 6.909 4.201 1.043 1.00 0.00 H ATOM 252 HD13 ILE A 526 5.872 5.443 0.300 1.00 0.00 H ATOM 253 HG21 ILE A 526 9.925 4.373 3.057 1.00 0.00 H ATOM 254 HG22 ILE A 526 8.291 4.627 3.717 1.00 0.00 H ATOM 255 HG23 ILE A 526 8.499 3.835 2.135 1.00 0.00 H ATOM 256 H ILE A 526 7.611 6.808 4.300 1.00 0.00 H ATOM 257 N LYS A 527 8.771 9.335 2.497 1.00 21.08 N ATOM 258 CA LYS A 527 8.939 10.612 1.799 1.00 22.37 C ATOM 259 C LYS A 527 9.970 11.512 2.458 1.00 23.17 C ATOM 260 O LYS A 527 10.385 12.489 1.878 1.00 23.85 O ATOM 261 CB LYS A 527 7.587 11.329 1.652 1.00 20.47 C ATOM 262 CG LYS A 527 6.687 10.639 0.633 1.00 25.16 C ATOM 263 CD LYS A 527 5.394 11.395 0.415 1.00 30.69 C ATOM 264 CE LYS A 527 4.523 11.409 1.655 1.00 35.24 C ATOM 265 NZ LYS A 527 3.455 12.453 1.565 1.00 36.25 N ATOM 266 HA LYS A 527 9.324 10.384 0.805 1.00 0.00 H ATOM 267 HB2 LYS A 527 7.084 11.336 2.619 1.00 0.00 H ATOM 268 HB3 LYS A 527 7.765 12.355 1.329 1.00 0.00 H ATOM 269 HG2 LYS A 527 7.218 10.569 -0.316 1.00 0.00 H ATOM 270 HG3 LYS A 527 6.453 9.637 0.992 1.00 0.00 H ATOM 271 HD2 LYS A 527 5.630 12.423 0.140 1.00 0.00 H ATOM 272 HD3 LYS A 527 4.842 10.921 -0.397 1.00 0.00 H ATOM 273 HE2 LYS A 527 5.148 11.615 2.524 1.00 0.00 H ATOM 274 HE3 LYS A 527 4.054 10.432 1.770 1.00 0.00 H ATOM 275 HZ1 LYS A 527 3.895 13.390 1.461 1.00 0.00 H ATOM 276 HZ2 LYS A 527 2.851 12.259 0.741 1.00 0.00 H ATOM 277 HZ3 LYS A 527 2.879 12.433 2.431 1.00 0.00 H ATOM 278 H LYS A 527 7.982 9.209 3.163 1.00 0.00 H ATOM 279 N LYS A 528 10.386 11.178 3.675 1.00 19.48 N ATOM 280 CA LYS A 528 11.358 12.009 4.389 1.00 20.46 C ATOM 281 C LYS A 528 12.738 11.778 3.800 1.00 20.56 C ATOM 282 O LYS A 528 12.973 10.773 3.139 1.00 24.58 O ATOM 283 CB LYS A 528 11.384 11.650 5.884 1.00 18.52 C ATOM 284 CG LYS A 528 10.121 11.967 6.666 1.00 19.21 C ATOM 285 CD LYS A 528 9.929 13.473 6.783 1.00 18.07 C ATOM 286 CE LYS A 528 8.680 13.803 7.589 1.00 19.83 C ATOM 287 NZ LYS A 528 8.468 15.273 7.753 1.00 20.17 N ATOM 288 HA LYS A 528 11.070 13.055 4.283 1.00 0.00 H ATOM 289 HB2 LYS A 528 11.568 10.579 5.967 1.00 0.00 H ATOM 290 HB3 LYS A 528 12.208 12.196 6.344 1.00 0.00 H ATOM 291 HG2 LYS A 528 9.263 11.535 6.152 1.00 0.00 H ATOM 292 HG3 LYS A 528 10.200 11.537 7.664 1.00 0.00 H ATOM 293 HD2 LYS A 528 10.798 13.906 7.278 1.00 0.00 H ATOM 294 HD3 LYS A 528 9.832 13.899 5.784 1.00 0.00 H ATOM 295 HE2 LYS A 528 8.773 13.352 8.577 1.00 0.00 H ATOM 296 HE3 LYS A 528 7.814 13.381 7.079 1.00 0.00 H ATOM 297 HZ1 LYS A 528 9.284 15.687 8.247 1.00 0.00 H ATOM 298 HZ2 LYS A 528 8.368 15.714 6.817 1.00 0.00 H ATOM 299 HZ3 LYS A 528 7.605 15.438 8.309 1.00 0.00 H ATOM 300 H LYS A 528 10.017 10.316 4.126 1.00 0.00 H ATOM 301 N GLU A 529 13.661 12.703 4.024 1.00 21.07 N ATOM 302 CA GLU A 529 15.058 12.434 3.668 1.00 20.99 C ATOM 303 C GLU A 529 15.752 11.565 4.707 1.00 21.25 C ATOM 304 O GLU A 529 16.412 10.579 4.352 1.00 24.77 O ATOM 305 CB GLU A 529 15.837 13.738 3.473 1.00 22.68 C ATOM 306 CG GLU A 529 15.386 14.515 2.276 1.00 28.35 C ATOM 307 CD GLU A 529 16.160 15.809 2.117 1.00 42.14 C ATOM 308 OE1 GLU A 529 16.927 16.161 3.045 1.00 50.20 O ATOM 309 OE2 GLU A 529 15.997 16.477 1.072 1.00 44.94 O ATOM 310 HA GLU A 529 15.044 11.886 2.726 1.00 0.00 H ATOM 311 HB2 GLU A 529 15.705 14.358 4.360 1.00 0.00 H ATOM 312 HB3 GLU A 529 16.893 13.497 3.354 1.00 0.00 H ATOM 313 HG2 GLU A 529 15.532 13.905 1.384 1.00 0.00 H ATOM 314 HG3 GLU A 529 14.327 14.749 2.386 1.00 0.00 H ATOM 315 H GLU A 529 13.396 13.614 4.450 1.00 0.00 H ATOM 316 N LYS A 530 15.603 11.910 5.985 1.00 22.85 N ATOM 317 CA LYS A 530 16.185 11.130 7.081 1.00 23.79 C ATOM 318 C LYS A 530 15.252 11.133 8.268 1.00 22.86 C ATOM 319 O LYS A 530 14.668 12.177 8.604 1.00 22.33 O ATOM 320 CB LYS A 530 17.518 11.725 7.547 1.00 26.77 C ATOM 321 CG LYS A 530 18.595 11.807 6.467 1.00 26.84 C ATOM 322 CD LYS A 530 19.922 12.258 7.092 1.00 29.62 C ATOM 323 CE LYS A 530 21.024 12.354 6.042 1.00 37.04 C ATOM 324 NZ LYS A 530 22.310 12.818 6.644 1.00 42.31 N ATOM 325 HA LYS A 530 16.344 10.119 6.706 1.00 0.00 H ATOM 326 HB2 LYS A 530 17.329 12.733 7.915 1.00 0.00 H ATOM 327 HB3 LYS A 530 17.899 11.108 8.360 1.00 0.00 H ATOM 328 HG2 LYS A 530 18.725 10.826 6.009 1.00 0.00 H ATOM 329 HG3 LYS A 530 18.291 12.525 5.705 1.00 0.00 H ATOM 330 HD2 LYS A 530 19.784 13.236 7.553 1.00 0.00 H ATOM 331 HD3 LYS A 530 20.219 11.538 7.854 1.00 0.00 H ATOM 332 HE2 LYS A 530 20.718 13.060 5.270 1.00 0.00 H ATOM 333 HE3 LYS A 530 21.175 11.371 5.595 1.00 0.00 H ATOM 334 HZ1 LYS A 530 22.174 13.758 7.068 1.00 0.00 H ATOM 335 HZ2 LYS A 530 22.610 12.146 7.378 1.00 0.00 H ATOM 336 HZ3 LYS A 530 23.038 12.872 5.904 1.00 0.00 H ATOM 337 H LYS A 530 15.054 12.763 6.213 1.00 0.00 H ATOM 338 N VAL A 531 15.123 9.981 8.920 1.00 19.78 N ATOM 339 CA VAL A 531 14.362 9.899 10.158 1.00 23.72 C ATOM 340 C VAL A 531 15.085 9.058 11.195 1.00 23.59 C ATOM 341 O VAL A 531 15.467 7.914 10.932 1.00 25.14 O ATOM 342 CB VAL A 531 12.961 9.291 9.941 1.00 25.46 C ATOM 343 CG1 VAL A 531 12.227 9.206 11.261 1.00 19.37 C ATOM 344 CG2 VAL A 531 12.164 10.117 8.930 1.00 23.86 C ATOM 345 HA VAL A 531 14.258 10.924 10.512 1.00 0.00 H ATOM 346 HB VAL A 531 13.073 8.285 9.537 1.00 0.00 H ATOM 347 HG11 VAL A 531 12.791 8.576 11.949 1.00 0.00 H ATOM 348 HG12 VAL A 531 12.124 10.206 11.683 1.00 0.00 H ATOM 349 HG13 VAL A 531 11.239 8.776 11.099 1.00 0.00 H ATOM 350 HG21 VAL A 531 12.053 11.136 9.302 1.00 0.00 H ATOM 351 HG22 VAL A 531 12.693 10.132 7.977 1.00 0.00 H ATOM 352 HG23 VAL A 531 11.180 9.670 8.793 1.00 0.00 H ATOM 353 H VAL A 531 15.573 9.125 8.539 1.00 0.00 H ATOM 354 N TYR A 532 15.268 9.640 12.372 1.00 19.52 N ATOM 355 CA TYR A 532 15.777 8.918 13.520 1.00 19.40 C ATOM 356 C TYR A 532 14.597 8.711 14.453 1.00 21.54 C ATOM 357 O TYR A 532 13.938 9.678 14.844 1.00 22.28 O ATOM 358 CB TYR A 532 16.860 9.756 14.221 1.00 18.42 C ATOM 359 CG TYR A 532 17.363 9.142 15.483 1.00 22.91 C ATOM 360 CD1 TYR A 532 18.073 7.946 15.457 1.00 24.05 C ATOM 361 CD2 TYR A 532 17.148 9.760 16.710 1.00 27.23 C ATOM 362 CE1 TYR A 532 18.544 7.372 16.637 1.00 30.64 C ATOM 363 CE2 TYR A 532 17.612 9.185 17.886 1.00 25.88 C ATOM 364 CZ TYR A 532 18.316 8.011 17.840 1.00 32.16 C ATOM 365 OH TYR A 532 18.778 7.459 19.012 1.00 34.42 O ATOM 366 HA TYR A 532 16.222 7.967 13.229 1.00 0.00 H ATOM 367 HB3 TYR A 532 16.441 10.734 14.456 1.00 0.00 H ATOM 368 HB2 TYR A 532 17.700 9.877 13.537 1.00 0.00 H ATOM 369 HD2 TYR A 532 16.609 10.707 16.749 1.00 0.00 H ATOM 370 HE2 TYR A 532 17.416 9.667 18.844 1.00 0.00 H ATOM 371 HE1 TYR A 532 19.087 6.427 16.610 1.00 0.00 H ATOM 372 HD1 TYR A 532 18.263 7.452 14.504 1.00 0.00 H ATOM 373 HH TYR A 532 19.263 6.620 18.811 1.00 0.00 H ATOM 374 H TYR A 532 15.038 10.649 12.475 1.00 0.00 H ATOM 375 N LEU A 533 14.316 7.458 14.793 1.00 21.11 N ATOM 376 CA LEU A 533 13.223 7.156 15.714 1.00 22.16 C ATOM 377 C LEU A 533 13.810 6.426 16.907 1.00 23.10 C ATOM 378 O LEU A 533 14.430 5.378 16.741 1.00 30.03 O ATOM 379 CB LEU A 533 12.185 6.270 15.005 1.00 24.65 C ATOM 380 CG LEU A 533 10.915 5.892 15.775 1.00 33.58 C ATOM 381 CD1 LEU A 533 10.053 7.105 16.089 1.00 33.16 C ATOM 382 CD2 LEU A 533 10.125 4.894 14.949 1.00 39.39 C ATOM 383 HA LEU A 533 12.728 8.070 16.042 1.00 0.00 H ATOM 384 HB2 LEU A 533 11.873 6.795 14.102 1.00 0.00 H ATOM 385 HB3 LEU A 533 12.685 5.342 14.729 1.00 0.00 H ATOM 386 HG LEU A 533 11.209 5.453 16.729 1.00 0.00 H ATOM 387 HD21 LEU A 533 9.859 5.345 13.993 1.00 0.00 H ATOM 388 HD22 LEU A 533 10.732 4.006 14.776 1.00 0.00 H ATOM 389 HD23 LEU A 533 9.218 4.617 15.486 1.00 0.00 H ATOM 390 HD11 LEU A 533 10.623 7.807 16.698 1.00 0.00 H ATOM 391 HD12 LEU A 533 9.755 7.588 15.158 1.00 0.00 H ATOM 392 HD13 LEU A 533 9.165 6.787 16.635 1.00 0.00 H ATOM 393 H LEU A 533 14.882 6.681 14.398 1.00 0.00 H ATOM 394 N ALA A 534 13.631 6.979 18.100 1.00 23.01 N ATOM 395 CA ALA A 534 14.248 6.417 19.295 1.00 25.52 C ATOM 396 C ALA A 534 13.230 6.243 20.406 1.00 25.34 C ATOM 397 O ALA A 534 12.233 6.979 20.479 1.00 23.50 O ATOM 398 CB ALA A 534 15.365 7.319 19.777 1.00 28.96 C ATOM 399 HA ALA A 534 14.651 5.438 19.034 1.00 0.00 H ATOM 400 HB1 ALA A 534 16.118 7.412 18.995 1.00 0.00 H ATOM 401 HB2 ALA A 534 14.960 8.303 20.012 1.00 0.00 H ATOM 402 HB3 ALA A 534 15.818 6.889 20.670 1.00 0.00 H ATOM 403 H ALA A 534 13.039 7.830 18.184 1.00 0.00 H ATOM 404 N TRP A 535 13.504 5.277 21.281 1.00 23.57 N ATOM 405 CA TRP A 535 12.676 5.029 22.456 1.00 21.74 C ATOM 406 C TRP A 535 13.386 5.469 23.706 1.00 24.93 C ATOM 407 O TRP A 535 14.599 5.273 23.851 1.00 27.29 O ATOM 408 CB TRP A 535 12.383 3.529 22.587 1.00 19.34 C ATOM 409 CG TRP A 535 11.605 3.148 23.795 1.00 22.01 C ATOM 410 CD1 TRP A 535 10.246 3.110 23.913 1.00 24.52 C ATOM 411 CD2 TRP A 535 12.132 2.709 25.056 1.00 23.69 C ATOM 412 NE1 TRP A 535 9.895 2.689 25.170 1.00 28.24 N ATOM 413 CE2 TRP A 535 11.032 2.433 25.891 1.00 23.83 C ATOM 414 CE3 TRP A 535 13.428 2.521 25.558 1.00 24.80 C ATOM 415 CZ2 TRP A 535 11.184 1.965 27.202 1.00 22.72 C ATOM 416 CZ3 TRP A 535 13.575 2.059 26.863 1.00 25.39 C ATOM 417 CH2 TRP A 535 12.459 1.792 27.668 1.00 26.36 C ATOM 418 HA TRP A 535 11.750 5.591 22.335 1.00 0.00 H ATOM 419 HB2 TRP A 535 11.820 3.215 21.708 1.00 0.00 H ATOM 420 HB3 TRP A 535 13.335 2.999 22.615 1.00 0.00 H ATOM 421 HE1 TRP A 535 8.922 2.581 25.520 1.00 0.00 H ATOM 422 HD1 TRP A 535 9.543 3.375 23.124 1.00 0.00 H ATOM 423 HZ2 TRP A 535 10.319 1.747 27.828 1.00 0.00 H ATOM 424 HH2 TRP A 535 12.610 1.439 28.688 1.00 0.00 H ATOM 425 HZ3 TRP A 535 14.576 1.902 27.266 1.00 0.00 H ATOM 426 HE3 TRP A 535 14.301 2.732 24.940 1.00 0.00 H ATOM 427 H TRP A 535 14.339 4.678 21.121 1.00 0.00 H ATOM 428 N VAL A 536 12.618 6.051 24.617 1.00 21.08 N ATOM 429 CA VAL A 536 13.110 6.360 25.950 1.00 22.58 C ATOM 430 C VAL A 536 12.061 5.896 26.941 1.00 25.62 C ATOM 431 O VAL A 536 10.880 5.788 26.590 1.00 22.51 O ATOM 432 CB VAL A 536 13.355 7.847 26.128 1.00 25.58 C ATOM 433 CG1 VAL A 536 14.473 8.325 25.210 1.00 23.97 C ATOM 434 CG2 VAL A 536 12.058 8.652 25.911 1.00 25.48 C ATOM 435 HA VAL A 536 14.062 5.854 26.110 1.00 0.00 H ATOM 436 HB VAL A 536 13.676 8.019 27.155 1.00 0.00 H ATOM 437 HG11 VAL A 536 15.391 7.786 25.446 1.00 0.00 H ATOM 438 HG12 VAL A 536 14.196 8.136 24.173 1.00 0.00 H ATOM 439 HG13 VAL A 536 14.630 9.394 25.356 1.00 0.00 H ATOM 440 HG21 VAL A 536 11.688 8.477 24.901 1.00 0.00 H ATOM 441 HG22 VAL A 536 11.308 8.332 26.634 1.00 0.00 H ATOM 442 HG23 VAL A 536 12.264 9.714 26.045 1.00 0.00 H ATOM 443 H VAL A 536 11.637 6.293 24.371 1.00 0.00 H ATOM 444 N PRO A 537 12.487 5.588 28.174 1.00 26.03 N ATOM 445 CA PRO A 537 11.536 5.105 29.179 1.00 26.16 C ATOM 446 C PRO A 537 10.610 6.219 29.639 1.00 22.70 C ATOM 447 O PRO A 537 11.040 7.350 29.842 1.00 22.58 O ATOM 448 CB PRO A 537 12.438 4.640 30.332 1.00 26.16 C ATOM 449 CG PRO A 537 13.744 5.307 30.116 1.00 29.14 C ATOM 450 CD PRO A 537 13.884 5.473 28.627 1.00 29.02 C ATOM 451 HA PRO A 537 10.886 4.317 28.798 1.00 0.00 H ATOM 452 HD3 PRO A 537 14.450 6.372 28.384 1.00 0.00 H ATOM 453 HD2 PRO A 537 14.371 4.606 28.180 1.00 0.00 H ATOM 454 HG3 PRO A 537 14.554 4.690 30.506 1.00 0.00 H ATOM 455 HG2 PRO A 537 13.759 6.279 30.609 1.00 0.00 H ATOM 456 HB2 PRO A 537 12.013 4.938 31.291 1.00 0.00 H ATOM 457 HB3 PRO A 537 12.556 3.557 30.309 1.00 0.00 H ATOM 458 N ALA A 538 9.338 5.884 29.803 1.00 20.18 N ATOM 459 CA ALA A 538 8.362 6.826 30.330 1.00 19.16 C ATOM 460 C ALA A 538 8.618 7.170 31.799 1.00 18.85 C ATOM 461 O ALA A 538 9.114 6.343 32.571 1.00 22.79 O ATOM 462 CB ALA A 538 6.953 6.257 30.159 1.00 19.78 C ATOM 463 HA ALA A 538 8.459 7.752 29.764 1.00 0.00 H ATOM 464 HB1 ALA A 538 6.757 6.087 29.100 1.00 0.00 H ATOM 465 HB2 ALA A 538 6.875 5.314 30.700 1.00 0.00 H ATOM 466 HB3 ALA A 538 6.226 6.966 30.555 1.00 0.00 H ATOM 467 H ALA A 538 9.030 4.924 29.549 1.00 0.00 H ATOM 468 N HIS A 539 8.299 8.410 32.161 1.00 20.70 N ATOM 469 CA HIS A 539 8.281 8.825 33.557 1.00 25.53 C ATOM 470 C HIS A 539 9.623 8.642 34.261 1.00 25.04 C ATOM 471 O HIS A 539 9.681 8.266 35.439 1.00 25.22 O ATOM 472 CB HIS A 539 7.134 8.119 34.287 1.00 24.54 C ATOM 473 CG HIS A 539 5.792 8.494 33.749 1.00 24.80 C ATOM 474 ND1 HIS A 539 5.237 9.744 33.964 1.00 25.85 N ATOM 475 CD2 HIS A 539 4.941 7.845 32.921 1.00 27.42 C ATOM 476 CE1 HIS A 539 4.077 9.818 33.345 1.00 27.53 C ATOM 477 NE2 HIS A 539 3.879 8.686 32.686 1.00 28.27 N ATOM 478 HA HIS A 539 8.104 9.900 33.583 1.00 0.00 H ATOM 479 HB2 HIS A 539 7.264 7.042 34.182 1.00 0.00 H ATOM 480 HB3 HIS A 539 7.174 8.387 35.343 1.00 0.00 H ATOM 481 HD2 HIS A 539 5.073 6.842 32.516 1.00 0.00 H ATOM 482 HE1 HIS A 539 3.395 10.668 33.371 1.00 0.00 H ATOM 483 H HIS A 539 8.055 9.103 31.425 1.00 0.00 H ATOM 484 N LYS A 540 10.694 8.948 33.536 1.00 23.96 N ATOM 485 CA LYS A 540 12.045 8.941 34.087 1.00 27.23 C ATOM 486 C LYS A 540 12.735 10.290 33.945 1.00 31.27 C ATOM 487 O LYS A 540 13.962 10.360 33.888 1.00 33.87 O ATOM 488 CB LYS A 540 12.904 7.864 33.438 1.00 24.98 C ATOM 489 CG LYS A 540 12.397 6.466 33.709 1.00 31.98 C ATOM 490 CD LYS A 540 13.516 5.433 33.688 1.00 43.28 C ATOM 491 CE LYS A 540 13.108 4.203 34.500 1.00 46.53 C ATOM 492 NZ LYS A 540 14.073 3.072 34.378 1.00 46.40 N ATOM 493 HA LYS A 540 11.937 8.723 35.149 1.00 0.00 H ATOM 494 HB2 LYS A 540 12.913 8.028 32.360 1.00 0.00 H ATOM 495 HB3 LYS A 540 13.919 7.948 33.826 1.00 0.00 H ATOM 496 HG2 LYS A 540 11.922 6.449 34.690 1.00 0.00 H ATOM 497 HG3 LYS A 540 11.663 6.205 32.946 1.00 0.00 H ATOM 498 HD2 LYS A 540 13.715 5.136 32.658 1.00 0.00 H ATOM 499 HD3 LYS A 540 14.417 5.868 34.120 1.00 0.00 H ATOM 500 HE2 LYS A 540 12.132 3.865 34.151 1.00 0.00 H ATOM 501 HE3 LYS A 540 13.039 4.488 35.550 1.00 0.00 H ATOM 502 HZ1 LYS A 540 14.142 2.783 33.381 1.00 0.00 H ATOM 503 HZ2 LYS A 540 15.008 3.377 34.717 1.00 0.00 H ATOM 504 HZ3 LYS A 540 13.740 2.270 34.951 1.00 0.00 H ATOM 505 H LYS A 540 10.564 9.203 32.536 1.00 0.00 H ATOM 506 N GLY A 541 11.941 11.351 33.855 1.00 27.81 N ATOM 507 CA GLY A 541 12.473 12.698 33.922 1.00 34.02 C ATOM 508 C GLY A 541 13.219 13.176 32.694 1.00 36.03 C ATOM 509 O GLY A 541 14.008 14.119 32.774 1.00 35.86 O ATOM 510 HA3 GLY A 541 13.158 12.745 34.769 1.00 0.00 H ATOM 511 HA2 GLY A 541 11.639 13.379 34.093 1.00 0.00 H ATOM 512 H GLY A 541 10.917 11.213 33.734 1.00 0.00 H ATOM 513 N ILE A 542 12.989 12.530 31.557 1.00 33.56 N ATOM 514 CA ILE A 542 13.499 13.057 30.303 1.00 34.18 C ATOM 515 C ILE A 542 12.656 14.282 29.946 1.00 34.16 C ATOM 516 O ILE A 542 11.440 14.178 29.776 1.00 30.19 O ATOM 517 CB ILE A 542 13.457 12.001 29.196 1.00 36.02 C ATOM 518 CG1 ILE A 542 14.431 10.868 29.530 1.00 42.78 C ATOM 519 CG2 ILE A 542 13.768 12.641 27.842 1.00 30.84 C ATOM 520 CD1 ILE A 542 14.287 9.658 28.662 1.00 48.63 C ATOM 521 HA ILE A 542 14.546 13.341 30.408 1.00 0.00 H ATOM 522 HB ILE A 542 12.456 11.576 29.131 1.00 0.00 H ATOM 523 HG12 ILE A 542 15.447 11.248 29.422 1.00 0.00 H ATOM 524 HG13 ILE A 542 14.265 10.568 30.565 1.00 0.00 H ATOM 525 HD11 ILE A 542 13.280 9.255 28.767 1.00 0.00 H ATOM 526 HD12 ILE A 542 14.463 9.935 27.623 1.00 0.00 H ATOM 527 HD13 ILE A 542 15.014 8.905 28.967 1.00 0.00 H ATOM 528 HG21 ILE A 542 13.028 13.412 27.628 1.00 0.00 H ATOM 529 HG22 ILE A 542 14.762 13.087 27.872 1.00 0.00 H ATOM 530 HG23 ILE A 542 13.734 11.878 27.065 1.00 0.00 H ATOM 531 H ILE A 542 12.443 11.645 31.564 1.00 0.00 H ATOM 532 N GLY A 543 13.306 15.442 29.861 1.00 35.11 N ATOM 533 CA GLY A 543 12.625 16.724 29.790 1.00 35.11 C ATOM 534 C GLY A 543 11.482 16.818 28.804 1.00 33.55 C ATOM 535 O GLY A 543 10.332 17.093 29.197 1.00 34.86 O ATOM 536 HA3 GLY A 543 13.363 17.478 29.517 1.00 0.00 H ATOM 537 HA2 GLY A 543 12.229 16.946 30.781 1.00 0.00 H ATOM 538 H GLY A 543 14.346 15.430 29.845 1.00 0.00 H ATOM 539 N GLY A 544 11.800 16.600 27.529 1.00 29.77 N ATOM 540 CA GLY A 544 10.825 16.706 26.454 1.00 26.42 C ATOM 541 C GLY A 544 9.698 15.707 26.639 1.00 24.80 C ATOM 542 O GLY A 544 8.519 16.014 26.446 1.00 22.87 O ATOM 543 HA3 GLY A 544 11.321 16.512 25.503 1.00 0.00 H ATOM 544 HA2 GLY A 544 10.410 17.714 26.447 1.00 0.00 H ATOM 545 H GLY A 544 12.780 16.345 27.293 1.00 0.00 H ATOM 546 N ASN A 545 10.071 14.507 27.049 1.00 23.73 N ATOM 547 CA ASN A 545 9.098 13.440 27.274 1.00 24.99 C ATOM 548 C ASN A 545 8.108 13.759 28.398 1.00 24.07 C ATOM 549 O ASN A 545 6.901 13.551 28.254 1.00 24.02 O ATOM 550 CB ASN A 545 9.813 12.111 27.529 1.00 26.81 C ATOM 551 CG ASN A 545 8.861 11.012 27.953 1.00 24.48 C ATOM 552 OD1 ASN A 545 8.722 10.724 29.145 1.00 24.30 O ATOM 553 ND2 ASN A 545 8.188 10.409 26.990 1.00 21.30 N ATOM 554 HA ASN A 545 8.505 13.355 26.364 1.00 0.00 H ATOM 555 HB2 ASN A 545 10.317 11.803 26.613 1.00 0.00 H ATOM 556 HB3 ASN A 545 10.552 12.257 28.317 1.00 0.00 H ATOM 557 HD22 ASN A 545 8.338 10.685 25.999 1.00 0.00 H ATOM 558 HD21 ASN A 545 7.508 9.658 27.223 1.00 0.00 H ATOM 559 H ASN A 545 11.080 14.318 27.215 1.00 0.00 H ATOM 560 N GLU A 546 8.608 14.269 29.518 1.00 23.13 N ATOM 561 CA GLU A 546 7.716 14.662 30.607 1.00 25.68 C ATOM 562 C GLU A 546 6.758 15.778 30.183 1.00 21.98 C ATOM 563 O GLU A 546 5.574 15.750 30.542 1.00 25.16 O ATOM 564 CB GLU A 546 8.511 15.034 31.866 1.00 30.74 C ATOM 565 CG GLU A 546 9.376 13.873 32.402 1.00 31.92 C ATOM 566 CD GLU A 546 8.580 12.695 32.999 1.00 38.61 C ATOM 567 OE1 GLU A 546 7.378 12.509 32.685 1.00 34.59 O ATOM 568 OE2 GLU A 546 9.173 11.944 33.800 1.00 37.53 O ATOM 569 HA GLU A 546 7.099 13.799 30.855 1.00 0.00 H ATOM 570 HB2 GLU A 546 9.165 15.873 31.628 1.00 0.00 H ATOM 571 HB3 GLU A 546 7.809 15.332 32.645 1.00 0.00 H ATOM 572 HG2 GLU A 546 9.980 13.492 31.579 1.00 0.00 H ATOM 573 HG3 GLU A 546 10.031 14.268 33.179 1.00 0.00 H ATOM 574 H GLU A 546 9.636 14.389 29.620 1.00 0.00 H ATOM 575 N GLN A 547 7.255 16.745 29.408 1.00 22.33 N ATOM 576 CA GLN A 547 6.419 17.855 28.973 1.00 24.50 C ATOM 577 C GLN A 547 5.250 17.390 28.115 1.00 25.42 C ATOM 578 O GLN A 547 4.096 17.784 28.355 1.00 22.73 O ATOM 579 CB GLN A 547 7.251 18.876 28.213 1.00 26.82 C ATOM 580 CG GLN A 547 8.278 19.601 29.063 1.00 39.54 C ATOM 581 CD GLN A 547 9.107 20.569 28.245 1.00 51.31 C ATOM 582 OE1 GLN A 547 10.335 20.597 28.348 1.00 57.72 O ATOM 583 NE2 GLN A 547 8.438 21.368 27.416 1.00 47.54 N ATOM 584 HA GLN A 547 6.005 18.319 29.868 1.00 0.00 H ATOM 585 HB2 GLN A 547 7.776 18.359 27.409 1.00 0.00 H ATOM 586 HB3 GLN A 547 6.576 19.618 27.786 1.00 0.00 H ATOM 587 HG2 GLN A 547 7.760 20.155 29.846 1.00 0.00 H ATOM 588 HG3 GLN A 547 8.942 18.866 29.518 1.00 0.00 H ATOM 589 HE22 GLN A 547 7.401 21.310 27.362 1.00 0.00 H ATOM 590 HE21 GLN A 547 8.952 22.050 26.823 1.00 0.00 H ATOM 591 H GLN A 547 8.251 16.705 29.112 1.00 0.00 H ATOM 592 N VAL A 548 5.541 16.561 27.112 1.00 23.41 N ATOM 593 CA VAL A 548 4.472 16.085 26.249 1.00 20.27 C ATOM 594 C VAL A 548 3.532 15.156 27.027 1.00 23.66 C ATOM 595 O VAL A 548 2.317 15.202 26.824 1.00 21.15 O ATOM 596 CB VAL A 548 4.989 15.430 24.944 1.00 19.73 C ATOM 597 CG1 VAL A 548 5.732 14.088 25.233 1.00 22.10 C ATOM 598 CG2 VAL A 548 3.816 15.167 23.992 1.00 24.37 C ATOM 599 HA VAL A 548 3.904 16.958 25.927 1.00 0.00 H ATOM 600 HB VAL A 548 5.695 16.120 24.483 1.00 0.00 H ATOM 601 HG11 VAL A 548 6.584 14.279 25.885 1.00 0.00 H ATOM 602 HG12 VAL A 548 5.048 13.393 25.721 1.00 0.00 H ATOM 603 HG13 VAL A 548 6.080 13.658 24.294 1.00 0.00 H ATOM 604 HG21 VAL A 548 3.103 14.498 24.473 1.00 0.00 H ATOM 605 HG22 VAL A 548 3.326 16.111 23.752 1.00 0.00 H ATOM 606 HG23 VAL A 548 4.189 14.706 23.077 1.00 0.00 H ATOM 607 H VAL A 548 6.522 16.258 26.949 1.00 0.00 H ATOM 608 N ASP A 549 4.069 14.348 27.943 1.00 20.20 N ATOM 609 CA ASP A 549 3.188 13.502 28.745 1.00 23.57 C ATOM 610 C ASP A 549 2.175 14.357 29.529 1.00 22.58 C ATOM 611 O ASP A 549 0.982 14.038 29.592 1.00 23.74 O ATOM 612 CB ASP A 549 3.972 12.598 29.708 1.00 17.75 C ATOM 613 CG ASP A 549 3.060 11.905 30.698 1.00 21.42 C ATOM 614 OD1 ASP A 549 2.854 12.442 31.808 1.00 26.33 O ATOM 615 OD2 ASP A 549 2.509 10.846 30.326 1.00 21.75 O ATOM 616 HA ASP A 549 2.649 12.857 28.051 1.00 0.00 H ATOM 617 HB2 ASP A 549 4.504 11.843 29.129 1.00 0.00 H ATOM 618 HB3 ASP A 549 4.691 13.206 30.257 1.00 0.00 H ATOM 619 H ASP A 549 5.099 14.321 28.084 1.00 0.00 H ATOM 620 N LYS A 550 2.645 15.451 30.116 1.00 22.28 N ATOM 621 CA LYS A 550 1.766 16.341 30.865 1.00 26.98 C ATOM 622 C LYS A 550 0.644 16.893 29.978 1.00 30.16 C ATOM 623 O LYS A 550 -0.514 16.962 30.398 1.00 31.86 O ATOM 624 CB LYS A 550 2.572 17.491 31.460 1.00 30.97 C ATOM 625 CG LYS A 550 1.787 18.386 32.410 1.00 43.57 C ATOM 626 CD LYS A 550 2.718 19.339 33.147 1.00 53.19 C ATOM 627 CE LYS A 550 1.983 20.138 34.217 1.00 62.02 C ATOM 628 NZ LYS A 550 0.999 21.090 33.635 1.00 65.67 N ATOM 629 HA LYS A 550 1.309 15.764 31.669 1.00 0.00 H ATOM 630 HB2 LYS A 550 3.415 17.069 32.007 1.00 0.00 H ATOM 631 HB3 LYS A 550 2.944 18.106 30.641 1.00 0.00 H ATOM 632 HG2 LYS A 550 1.061 18.965 31.839 1.00 0.00 H ATOM 633 HG3 LYS A 550 1.263 17.765 33.136 1.00 0.00 H ATOM 634 HD2 LYS A 550 3.511 18.761 33.621 1.00 0.00 H ATOM 635 HD3 LYS A 550 3.155 20.032 32.428 1.00 0.00 H ATOM 636 HE2 LYS A 550 2.713 20.700 34.799 1.00 0.00 H ATOM 637 HE3 LYS A 550 1.455 19.445 34.872 1.00 0.00 H ATOM 638 HZ1 LYS A 550 1.494 21.762 33.014 1.00 0.00 H ATOM 639 HZ2 LYS A 550 0.292 20.562 33.084 1.00 0.00 H ATOM 640 HZ3 LYS A 550 0.526 21.609 34.402 1.00 0.00 H ATOM 641 H LYS A 550 3.657 15.677 30.040 1.00 0.00 H ATOM 642 N LEU A 551 0.991 17.279 28.753 1.00 22.74 N ATOM 643 CA LEU A 551 0.007 17.816 27.806 1.00 25.31 C ATOM 644 C LEU A 551 -1.058 16.803 27.405 1.00 26.03 C ATOM 645 O LEU A 551 -2.245 17.126 27.384 1.00 28.72 O ATOM 646 CB LEU A 551 0.703 18.305 26.536 1.00 25.87 C ATOM 647 CG LEU A 551 1.555 19.574 26.622 1.00 30.09 C ATOM 648 CD1 LEU A 551 2.259 19.804 25.291 1.00 32.43 C ATOM 649 CD2 LEU A 551 0.702 20.795 26.995 1.00 35.39 C ATOM 650 HA LEU A 551 -0.486 18.638 28.325 1.00 0.00 H ATOM 651 HB2 LEU A 551 1.354 17.501 26.194 1.00 0.00 H ATOM 652 HB3 LEU A 551 -0.072 18.485 25.791 1.00 0.00 H ATOM 653 HG LEU A 551 2.298 19.440 27.408 1.00 0.00 H ATOM 654 HD21 LEU A 551 -0.068 20.944 26.238 1.00 0.00 H ATOM 655 HD22 LEU A 551 0.232 20.626 27.964 1.00 0.00 H ATOM 656 HD23 LEU A 551 1.338 21.679 27.047 1.00 0.00 H ATOM 657 HD11 LEU A 551 2.899 18.950 25.068 1.00 0.00 H ATOM 658 HD12 LEU A 551 1.515 19.918 24.503 1.00 0.00 H ATOM 659 HD13 LEU A 551 2.865 20.708 25.353 1.00 0.00 H ATOM 660 H LEU A 551 1.985 17.198 28.459 1.00 0.00 H ATOM 661 N VAL A 552 -0.653 15.588 27.040 1.00 21.99 N ATOM 662 CA VAL A 552 -1.643 14.658 26.511 1.00 23.28 C ATOM 663 C VAL A 552 -2.478 13.998 27.610 1.00 22.51 C ATOM 664 O VAL A 552 -3.575 13.510 27.348 1.00 27.65 O ATOM 665 CB VAL A 552 -1.044 13.601 25.566 1.00 26.90 C ATOM 666 CG1 VAL A 552 -0.258 14.277 24.443 1.00 25.50 C ATOM 667 CG2 VAL A 552 -0.180 12.584 26.352 1.00 21.64 C ATOM 668 HA VAL A 552 -2.313 15.274 25.912 1.00 0.00 H ATOM 669 HB VAL A 552 -1.857 13.039 25.106 1.00 0.00 H ATOM 670 HG11 VAL A 552 -0.924 14.926 23.875 1.00 0.00 H ATOM 671 HG12 VAL A 552 0.550 14.870 24.872 1.00 0.00 H ATOM 672 HG13 VAL A 552 0.159 13.516 23.784 1.00 0.00 H ATOM 673 HG21 VAL A 552 0.634 13.110 26.852 1.00 0.00 H ATOM 674 HG22 VAL A 552 -0.799 12.081 27.095 1.00 0.00 H ATOM 675 HG23 VAL A 552 0.231 11.848 25.661 1.00 0.00 H ATOM 676 H VAL A 552 0.345 15.310 27.130 1.00 0.00 H ATOM 677 N SER A 553 -1.973 13.965 28.836 1.00 28.86 N ATOM 678 CA SER A 553 -2.692 13.230 29.863 1.00 32.49 C ATOM 679 C SER A 553 -3.684 14.134 30.586 1.00 34.17 C ATOM 680 O SER A 553 -4.563 13.659 31.300 1.00 36.82 O ATOM 681 CB SER A 553 -1.717 12.577 30.851 1.00 32.16 C ATOM 682 OG SER A 553 -1.019 13.573 31.567 1.00 35.25 O ATOM 683 HA SER A 553 -3.258 12.435 29.377 1.00 0.00 H ATOM 684 HB2 SER A 553 -1.005 11.960 30.302 1.00 0.00 H ATOM 685 HB3 SER A 553 -2.274 11.953 31.550 1.00 0.00 H ATOM 686 HG SER A 553 -0.512 14.139 30.933 1.00 0.00 H ATOM 687 H SER A 553 -1.082 14.454 29.057 1.00 0.00 H ATOM 688 N ALA A 554 -3.549 15.439 30.380 1.00 33.51 N ATOM 689 CA ALA A 554 -4.430 16.402 31.028 1.00 36.76 C ATOM 690 C ALA A 554 -5.864 16.198 30.562 1.00 40.45 C ATOM 691 O ALA A 554 -6.147 16.208 29.368 1.00 40.76 O ATOM 692 CB ALA A 554 -3.971 17.808 30.747 1.00 33.65 C ATOM 693 HA ALA A 554 -4.392 16.242 32.106 1.00 0.00 H ATOM 694 HB1 ALA A 554 -2.958 17.941 31.128 1.00 0.00 H ATOM 695 HB2 ALA A 554 -3.982 17.984 29.671 1.00 0.00 H ATOM 696 HB3 ALA A 554 -4.641 18.513 31.239 1.00 0.00 H ATOM 697 H ALA A 554 -2.800 15.780 29.744 1.00 0.00 H ATOM 698 N GLY A 555 -6.768 15.993 31.511 1.00 43.75 N ATOM 699 CA GLY A 555 -8.166 15.791 31.188 1.00 44.13 C ATOM 700 C GLY A 555 -8.446 14.415 30.623 1.00 45.70 C ATOM 701 O GLY A 555 -9.575 14.124 30.230 1.00 51.88 O ATOM 702 HA3 GLY A 555 -8.465 16.537 30.452 1.00 0.00 H ATOM 703 HA2 GLY A 555 -8.756 15.921 32.095 1.00 0.00 H ATOM 704 H GLY A 555 -6.467 15.977 32.506 1.00 0.00 H ATOM 705 N ILE A 556 -7.421 13.566 30.579 1.00 40.70 N ATOM 706 CA ILE A 556 -7.567 12.207 30.066 1.00 38.81 C ATOM 707 C ILE A 556 -7.199 11.179 31.132 1.00 47.74 C ATOM 708 O ILE A 556 -7.974 10.271 31.426 1.00 47.73 O ATOM 709 CB ILE A 556 -6.675 11.974 28.834 1.00 37.70 C ATOM 710 CG1 ILE A 556 -7.022 12.980 27.726 1.00 36.16 C ATOM 711 CG2 ILE A 556 -6.829 10.554 28.327 1.00 36.09 C ATOM 712 CD1 ILE A 556 -8.324 12.670 27.014 1.00 41.06 C ATOM 713 HA ILE A 556 -8.613 12.087 29.783 1.00 0.00 H ATOM 714 HB ILE A 556 -5.636 12.124 29.126 1.00 0.00 H ATOM 715 HG12 ILE A 556 -7.100 13.972 28.172 1.00 0.00 H ATOM 716 HG13 ILE A 556 -6.217 12.976 26.991 1.00 0.00 H ATOM 717 HD11 ILE A 556 -8.259 11.685 26.552 1.00 0.00 H ATOM 718 HD12 ILE A 556 -9.142 12.682 27.734 1.00 0.00 H ATOM 719 HD13 ILE A 556 -8.504 13.422 26.245 1.00 0.00 H ATOM 720 HG21 ILE A 556 -6.539 9.856 29.112 1.00 0.00 H ATOM 721 HG22 ILE A 556 -7.869 10.379 28.050 1.00 0.00 H ATOM 722 HG23 ILE A 556 -6.190 10.409 27.456 1.00 0.00 H ATOM 723 H ILE A 556 -6.490 13.880 30.920 1.00 0.00 H ATOM 724 N ARG A 557 -6.006 11.325 31.699 1.00 53.08 N ATOM 725 CA ARG A 557 -5.525 10.403 32.719 1.00 57.05 C ATOM 726 C ARG A 557 -5.846 10.928 34.111 1.00 60.94 C ATOM 727 O ARG A 557 -5.448 12.033 34.474 1.00 57.62 O ATOM 728 CB ARG A 557 -4.018 10.175 32.575 1.00 52.18 C ATOM 729 CG ARG A 557 -3.451 9.130 33.530 1.00 46.14 C ATOM 730 CD ARG A 557 -1.947 8.942 33.315 1.00 40.34 C ATOM 731 NE ARG A 557 -1.189 10.147 33.639 1.00 40.91 N ATOM 732 CZ ARG A 557 -0.037 10.490 33.064 1.00 37.29 C ATOM 733 NH1 ARG A 557 0.497 9.726 32.116 1.00 29.76 N ATOM 734 NH2 ARG A 557 0.578 11.611 33.427 1.00 37.57 N ATOM 735 HA ARG A 557 -6.035 9.450 32.581 1.00 0.00 H ATOM 736 HB2 ARG A 557 -3.817 9.851 31.554 1.00 0.00 H ATOM 737 HB3 ARG A 557 -3.509 11.121 32.761 1.00 0.00 H ATOM 738 HG2 ARG A 557 -3.626 9.453 34.556 1.00 0.00 H ATOM 739 HG3 ARG A 557 -3.957 8.180 33.359 1.00 0.00 H ATOM 740 HD2 ARG A 557 -1.771 8.686 32.270 1.00 0.00 H ATOM 741 HD3 ARG A 557 -1.600 8.127 33.951 1.00 0.00 H ATOM 742 HE ARG A 557 -1.574 10.781 34.368 1.00 0.00 H ATOM 743 HH12 ARG A 557 1.396 10.001 31.672 1.00 0.00 H ATOM 744 HH11 ARG A 557 0.015 8.854 31.818 1.00 0.00 H ATOM 745 HH22 ARG A 557 1.477 11.879 32.979 1.00 0.00 H ATOM 746 HH21 ARG A 557 0.160 12.220 34.159 1.00 0.00 H ATOM 747 H ARG A 557 -5.400 12.118 31.407 1.00 0.00 H ATOM 748 N LYS A 558 -6.573 10.126 34.883 1.00 67.80 N ATOM 749 CA LYS A 558 -6.955 10.501 36.240 1.00 73.24 C ATOM 750 C LYS A 558 -5.726 10.701 37.121 1.00 72.53 C ATOM 751 O LYS A 558 -5.405 11.826 37.510 1.00 74.50 O ATOM 752 CB LYS A 558 -7.882 9.443 36.847 1.00 77.13 C ATOM 753 CG LYS A 558 -8.495 9.845 38.179 1.00 79.78 C ATOM 754 CD LYS A 558 -9.719 9.000 38.491 1.00 81.74 C ATOM 755 CE LYS A 558 -9.445 7.524 38.251 1.00 82.76 C ATOM 756 NZ LYS A 558 -10.687 6.707 38.348 1.00 81.86 N ATOM 757 HA LYS A 558 -7.492 11.448 36.189 1.00 0.00 H ATOM 758 HB2 LYS A 558 -8.691 9.251 36.142 1.00 0.00 H ATOM 759 HB3 LYS A 558 -7.307 8.529 36.996 1.00 0.00 H ATOM 760 HG2 LYS A 558 -7.756 9.708 38.968 1.00 0.00 H ATOM 761 HG3 LYS A 558 -8.787 10.894 38.135 1.00 0.00 H ATOM 762 HD2 LYS A 558 -9.995 9.145 39.535 1.00 0.00 H ATOM 763 HD3 LYS A 558 -10.543 9.317 37.852 1.00 0.00 H ATOM 764 HE2 LYS A 558 -8.732 7.172 38.996 1.00 0.00 H ATOM 765 HE3 LYS A 558 -9.019 7.401 37.255 1.00 0.00 H ATOM 766 HZ1 LYS A 558 -11.097 6.813 39.298 1.00 0.00 H ATOM 767 HZ2 LYS A 558 -11.371 7.032 37.636 1.00 0.00 H ATOM 768 HZ3 LYS A 558 -10.457 5.707 38.178 1.00 0.00 H ATOM 769 H LYS A 558 -6.878 9.205 34.509 1.00 0.00 H ATOM 770 N VAL A 559 -5.041 9.606 37.429 1.00 69.76 N ATOM 771 CA VAL A 559 -3.840 9.663 38.250 1.00 67.94 C ATOM 772 C VAL A 559 -2.744 8.793 37.633 1.00 64.93 C ATOM 773 O VAL A 559 -3.033 7.788 36.987 1.00 65.75 O ATOM 774 CB VAL A 559 -4.130 9.225 39.704 1.00 69.04 C ATOM 775 CG1 VAL A 559 -5.132 10.172 40.355 1.00 67.80 C ATOM 776 CG2 VAL A 559 -4.652 7.797 39.734 1.00 69.61 C ATOM 777 HA VAL A 559 -3.497 10.697 38.281 1.00 0.00 H ATOM 778 HB VAL A 559 -3.199 9.265 40.270 1.00 0.00 H ATOM 779 HG11 VAL A 559 -4.723 11.182 40.363 1.00 0.00 H ATOM 780 HG12 VAL A 559 -6.063 10.160 39.788 1.00 0.00 H ATOM 781 HG13 VAL A 559 -5.324 9.848 41.378 1.00 0.00 H ATOM 782 HG21 VAL A 559 -5.573 7.736 39.154 1.00 0.00 H ATOM 783 HG22 VAL A 559 -3.905 7.129 39.304 1.00 0.00 H ATOM 784 HG23 VAL A 559 -4.851 7.506 40.765 1.00 0.00 H ATOM 785 H VAL A 559 -5.370 8.685 37.075 1.00 0.00 H TER 786 VAL A 559 ATOM 787 N MET A 426 13.332 8.165 2.045 1.00 22.33 N ATOM 788 CA MET A 426 13.998 7.316 3.047 1.00 23.96 C ATOM 789 C MET A 426 13.573 5.849 2.921 1.00 23.97 C ATOM 790 O MET A 426 12.386 5.554 2.769 1.00 25.62 O ATOM 791 CB MET A 426 13.693 7.841 4.461 1.00 27.50 C ATOM 792 CG MET A 426 14.429 7.144 5.580 1.00 34.96 C ATOM 793 SD MET A 426 13.267 6.717 6.888 1.00 56.69 S ATOM 794 CE MET A 426 12.136 5.722 5.886 1.00 23.12 C ATOM 795 HA MET A 426 15.072 7.362 2.866 1.00 0.00 H ATOM 796 HB2 MET A 426 13.956 8.898 4.492 1.00 0.00 H ATOM 797 HB3 MET A 426 12.624 7.728 4.639 1.00 0.00 H ATOM 798 HG2 MET A 426 15.197 7.807 5.978 1.00 0.00 H ATOM 799 HG3 MET A 426 14.896 6.236 5.198 1.00 0.00 H ATOM 800 HE1 MET A 426 11.725 6.337 5.086 1.00 0.00 H ATOM 801 HE2 MET A 426 12.678 4.880 5.457 1.00 0.00 H ATOM 802 HE3 MET A 426 11.326 5.352 6.514 1.00 0.00 H ATOM 803 HN3 MET A 426 12.302 8.110 2.176 1.00 0.00 H ATOM 804 HN2 MET A 426 13.580 7.833 1.091 1.00 0.00 H ATOM 805 HN1 MET A 426 13.646 9.150 2.163 1.00 0.00 H ATOM 806 N TYR A 427 14.535 4.929 2.993 1.00 22.80 N ATOM 807 CA TYR A 427 14.213 3.499 2.971 1.00 24.59 C ATOM 808 C TYR A 427 14.717 2.784 4.225 1.00 25.90 C ATOM 809 O TYR A 427 14.382 1.618 4.462 1.00 30.37 O ATOM 810 CB TYR A 427 14.737 2.804 1.699 1.00 26.73 C ATOM 811 CG TYR A 427 16.235 2.879 1.537 1.00 27.26 C ATOM 812 CD1 TYR A 427 17.064 1.882 2.054 1.00 28.61 C ATOM 813 CD2 TYR A 427 16.823 3.950 0.888 1.00 27.16 C ATOM 814 CE1 TYR A 427 18.448 1.957 1.913 1.00 28.14 C ATOM 815 CE2 TYR A 427 18.193 4.035 0.744 1.00 31.83 C ATOM 816 CZ TYR A 427 18.999 3.038 1.255 1.00 34.87 C ATOM 817 OH TYR A 427 20.363 3.137 1.103 1.00 44.66 O ATOM 818 HA TYR A 427 13.125 3.429 2.959 1.00 0.00 H ATOM 819 HB3 TYR A 427 14.273 3.277 0.833 1.00 0.00 H ATOM 820 HB2 TYR A 427 14.447 1.754 1.737 1.00 0.00 H ATOM 821 HD2 TYR A 427 16.193 4.741 0.483 1.00 0.00 H ATOM 822 HE2 TYR A 427 18.637 4.887 0.228 1.00 0.00 H ATOM 823 HE1 TYR A 427 19.087 1.172 2.317 1.00 0.00 H ATOM 824 HD1 TYR A 427 16.622 1.033 2.575 1.00 0.00 H ATOM 825 HH TYR A 427 20.798 2.351 1.520 1.00 0.00 H ATOM 826 H TYR A 427 15.528 5.230 3.066 1.00 0.00 H ATOM 827 N GLN A 428 15.505 3.487 5.036 1.00 23.59 N ATOM 828 CA GLN A 428 15.937 2.929 6.313 1.00 24.00 C ATOM 829 C GLN A 428 16.086 4.033 7.344 1.00 24.96 C ATOM 830 O GLN A 428 16.396 5.176 7.002 1.00 26.15 O ATOM 831 CB GLN A 428 17.250 2.170 6.156 1.00 31.90 C ATOM 832 CG GLN A 428 18.437 3.021 5.766 1.00 36.02 C ATOM 833 CD GLN A 428 19.640 2.178 5.380 1.00 44.44 C ATOM 834 OE1 GLN A 428 20.621 2.680 4.832 1.00 49.03 O ATOM 835 NE2 GLN A 428 19.568 0.889 5.669 1.00 42.15 N ATOM 836 HA GLN A 428 15.177 2.227 6.656 1.00 0.00 H ATOM 837 HB2 GLN A 428 17.477 1.687 7.106 1.00 0.00 H ATOM 838 HB3 GLN A 428 17.112 1.410 5.387 1.00 0.00 H ATOM 839 HG2 GLN A 428 18.158 3.646 4.918 1.00 0.00 H ATOM 840 HG3 GLN A 428 18.708 3.655 6.610 1.00 0.00 H ATOM 841 HE22 GLN A 428 18.719 0.507 6.133 1.00 0.00 H ATOM 842 HE21 GLN A 428 20.360 0.258 5.432 1.00 0.00 H ATOM 843 H GLN A 428 15.815 4.440 4.757 1.00 0.00 H ATOM 844 N LEU A 429 15.880 3.673 8.605 1.00 22.33 N ATOM 845 CA LEU A 429 15.938 4.646 9.691 1.00 26.05 C ATOM 846 C LEU A 429 17.391 4.920 10.028 1.00 29.15 C ATOM 847 O LEU A 429 18.248 4.059 9.826 1.00 25.27 O ATOM 848 CB LEU A 429 15.213 4.099 10.918 1.00 25.84 C ATOM 849 CG LEU A 429 13.691 3.936 10.782 1.00 25.59 C ATOM 850 CD1 LEU A 429 13.131 3.142 11.961 1.00 27.78 C ATOM 851 CD2 LEU A 429 13.018 5.309 10.679 1.00 24.84 C ATOM 852 HA LEU A 429 15.452 5.571 9.382 1.00 0.00 H ATOM 853 HB2 LEU A 429 15.635 3.120 11.147 1.00 0.00 H ATOM 854 HB3 LEU A 429 15.403 4.778 11.749 1.00 0.00 H ATOM 855 HG LEU A 429 13.478 3.381 9.869 1.00 0.00 H ATOM 856 HD21 LEU A 429 13.236 5.888 11.577 1.00 0.00 H ATOM 857 HD22 LEU A 429 13.400 5.835 9.804 1.00 0.00 H ATOM 858 HD23 LEU A 429 11.940 5.178 10.583 1.00 0.00 H ATOM 859 HD11 LEU A 429 13.593 2.155 11.985 1.00 0.00 H ATOM 860 HD12 LEU A 429 13.350 3.670 12.889 1.00 0.00 H ATOM 861 HD13 LEU A 429 12.052 3.037 11.847 1.00 0.00 H ATOM 862 H LEU A 429 15.673 2.677 8.823 1.00 0.00 H ATOM 863 N GLU A 430 17.658 6.118 10.542 1.00 23.19 N ATOM 864 CA GLU A 430 18.989 6.493 10.998 1.00 26.24 C ATOM 865 C GLU A 430 19.387 5.693 12.234 1.00 25.95 C ATOM 866 O GLU A 430 18.541 5.343 13.061 1.00 27.88 O ATOM 867 CB GLU A 430 19.017 7.978 11.345 1.00 25.35 C ATOM 868 CG GLU A 430 18.729 8.902 10.158 1.00 27.84 C ATOM 869 CD GLU A 430 19.709 8.694 9.014 1.00 35.11 C ATOM 870 OE1 GLU A 430 20.926 8.859 9.245 1.00 41.90 O ATOM 871 OE2 GLU A 430 19.269 8.358 7.891 1.00 34.76 O ATOM 872 HA GLU A 430 19.693 6.280 10.194 1.00 0.00 H ATOM 873 HB2 GLU A 430 18.268 8.164 12.114 1.00 0.00 H ATOM 874 HB3 GLU A 430 20.005 8.220 11.736 1.00 0.00 H ATOM 875 HG2 GLU A 430 17.720 8.704 9.796 1.00 0.00 H ATOM 876 HG3 GLU A 430 18.797 9.937 10.494 1.00 0.00 H ATOM 877 H GLU A 430 16.888 6.812 10.621 1.00 0.00 H ATOM 878 N LYS A 431 20.684 5.439 12.367 1.00 28.28 N ATOM 879 CA LYS A 431 21.219 4.708 13.502 1.00 32.18 C ATOM 880 C LYS A 431 21.491 5.660 14.663 1.00 32.97 C ATOM 881 O LYS A 431 21.600 5.241 15.808 1.00 35.49 O ATOM 882 CB LYS A 431 22.495 3.960 13.095 1.00 38.98 C ATOM 883 CG LYS A 431 22.274 2.926 11.993 1.00 51.15 C ATOM 884 CD LYS A 431 23.576 2.255 11.563 1.00 60.88 C ATOM 885 CE LYS A 431 24.203 1.461 12.702 1.00 67.40 C ATOM 886 NZ LYS A 431 25.413 0.706 12.263 1.00 68.93 N ATOM 887 HA LYS A 431 20.483 3.974 13.830 1.00 0.00 H ATOM 888 HB2 LYS A 431 23.224 4.689 12.742 1.00 0.00 H ATOM 889 HB3 LYS A 431 22.890 3.449 13.973 1.00 0.00 H ATOM 890 HG2 LYS A 431 21.589 2.162 12.361 1.00 0.00 H ATOM 891 HG3 LYS A 431 21.832 3.422 11.129 1.00 0.00 H ATOM 892 HD2 LYS A 431 23.368 1.579 10.733 1.00 0.00 H ATOM 893 HD3 LYS A 431 24.279 3.022 11.238 1.00 0.00 H ATOM 894 HE2 LYS A 431 23.467 0.754 13.084 1.00 0.00 H ATOM 895 HE3 LYS A 431 24.488 2.151 13.496 1.00 0.00 H ATOM 896 HZ1 LYS A 431 25.150 0.039 11.510 1.00 0.00 H ATOM 897 HZ2 LYS A 431 26.125 1.373 11.903 1.00 0.00 H ATOM 898 HZ3 LYS A 431 25.805 0.181 13.071 1.00 0.00 H ATOM 899 H LYS A 431 21.339 5.775 11.633 1.00 0.00 H ATOM 900 N GLU A 432 21.585 6.949 14.360 1.00 32.14 N ATOM 901 CA GLU A 432 21.879 7.947 15.380 1.00 37.71 C ATOM 902 C GLU A 432 21.121 9.222 15.077 1.00 28.76 C ATOM 903 O GLU A 432 20.691 9.419 13.941 1.00 27.25 O ATOM 904 CB GLU A 432 23.379 8.241 15.406 1.00 42.74 C ATOM 905 CG GLU A 432 23.898 8.830 14.119 1.00 45.38 C ATOM 906 CD GLU A 432 25.368 8.528 13.899 1.00 56.14 C ATOM 907 OE1 GLU A 432 26.083 9.417 13.395 1.00 60.51 O ATOM 908 OE2 GLU A 432 25.808 7.401 14.220 1.00 56.51 O ATOM 909 HA GLU A 432 21.572 7.562 16.353 1.00 0.00 H ATOM 910 HB2 GLU A 432 23.579 8.945 16.214 1.00 0.00 H ATOM 911 HB3 GLU A 432 23.910 7.309 15.598 1.00 0.00 H ATOM 912 HG2 GLU A 432 23.327 8.416 13.288 1.00 0.00 H ATOM 913 HG3 GLU A 432 23.763 9.911 14.148 1.00 0.00 H ATOM 914 H GLU A 432 21.446 7.253 13.375 1.00 0.00 H ATOM 915 N PRO A 433 20.975 10.096 16.091 1.00 28.21 N ATOM 916 CA PRO A 433 20.256 11.359 15.944 1.00 29.26 C ATOM 917 C PRO A 433 20.825 12.193 14.811 1.00 30.68 C ATOM 918 O PRO A 433 22.038 12.213 14.562 1.00 30.02 O ATOM 919 CB PRO A 433 20.492 12.057 17.288 1.00 30.34 C ATOM 920 CG PRO A 433 20.713 10.955 18.240 1.00 30.96 C ATOM 921 CD PRO A 433 21.463 9.907 17.468 1.00 27.99 C ATOM 922 HA PRO A 433 19.202 11.214 15.706 1.00 0.00 H ATOM 923 HD3 PRO A 433 22.539 10.071 17.528 1.00 0.00 H ATOM 924 HD2 PRO A 433 21.228 8.907 17.834 1.00 0.00 H ATOM 925 HG3 PRO A 433 19.761 10.560 18.595 1.00 0.00 H ATOM 926 HG2 PRO A 433 21.302 11.298 19.091 1.00 0.00 H ATOM 927 HB2 PRO A 433 21.367 12.705 17.238 1.00 0.00 H ATOM 928 HB3 PRO A 433 19.621 12.646 17.575 1.00 0.00 H ATOM 929 N ILE A 434 19.932 12.880 14.116 1.00 23.51 N ATOM 930 CA ILE A 434 20.330 13.763 13.031 1.00 22.79 C ATOM 931 C ILE A 434 20.718 15.135 13.579 1.00 26.95 C ATOM 932 O ILE A 434 19.896 15.851 14.155 1.00 26.81 O ATOM 933 CB ILE A 434 19.199 13.909 11.997 1.00 21.99 C ATOM 934 CG1 ILE A 434 18.732 12.513 11.548 1.00 26.11 C ATOM 935 CG2 ILE A 434 19.661 14.778 10.840 1.00 25.85 C ATOM 936 CD1 ILE A 434 17.256 12.437 11.175 1.00 25.04 C ATOM 937 HA ILE A 434 21.194 13.321 12.535 1.00 0.00 H ATOM 938 HB ILE A 434 18.340 14.411 12.443 1.00 0.00 H ATOM 939 HG12 ILE A 434 19.320 12.219 10.679 1.00 0.00 H ATOM 940 HG13 ILE A 434 18.915 11.813 12.363 1.00 0.00 H ATOM 941 HD11 ILE A 434 16.650 12.715 12.037 1.00 0.00 H ATOM 942 HD12 ILE A 434 17.055 13.122 10.351 1.00 0.00 H ATOM 943 HD13 ILE A 434 17.011 11.419 10.871 1.00 0.00 H ATOM 944 HG21 ILE A 434 19.934 15.764 11.215 1.00 0.00 H ATOM 945 HG22 ILE A 434 20.526 14.316 10.363 1.00 0.00 H ATOM 946 HG23 ILE A 434 18.853 14.875 10.115 1.00 0.00 H ATOM 947 H ILE A 434 18.923 12.786 14.351 1.00 0.00 H ATOM 948 N VAL A 435 21.986 15.493 13.411 1.00 25.21 N ATOM 949 CA VAL A 435 22.465 16.810 13.841 1.00 31.19 C ATOM 950 C VAL A 435 21.741 17.923 13.093 1.00 33.63 C ATOM 951 O VAL A 435 21.637 17.890 11.876 1.00 33.26 O ATOM 952 CB VAL A 435 23.980 16.959 13.590 1.00 32.65 C ATOM 953 CG1 VAL A 435 24.432 18.370 13.901 1.00 35.98 C ATOM 954 CG2 VAL A 435 24.741 15.947 14.435 1.00 30.38 C ATOM 955 HA VAL A 435 22.262 16.891 14.909 1.00 0.00 H ATOM 956 HB VAL A 435 24.189 16.765 12.538 1.00 0.00 H ATOM 957 HG11 VAL A 435 23.896 19.071 13.262 1.00 0.00 H ATOM 958 HG12 VAL A 435 24.222 18.595 14.946 1.00 0.00 H ATOM 959 HG13 VAL A 435 25.503 18.456 13.718 1.00 0.00 H ATOM 960 HG21 VAL A 435 24.529 16.124 15.490 1.00 0.00 H ATOM 961 HG22 VAL A 435 24.426 14.939 14.164 1.00 0.00 H ATOM 962 HG23 VAL A 435 25.810 16.056 14.255 1.00 0.00 H ATOM 963 H VAL A 435 22.650 14.828 12.967 1.00 0.00 H ATOM 964 N GLY A 436 21.224 18.891 13.835 1.00 32.51 N ATOM 965 CA GLY A 436 20.565 20.035 13.237 1.00 34.87 C ATOM 966 C GLY A 436 19.126 19.806 12.814 1.00 37.95 C ATOM 967 O GLY A 436 18.527 20.657 12.158 1.00 41.56 O ATOM 968 HA3 GLY A 436 21.133 20.328 12.354 1.00 0.00 H ATOM 969 HA2 GLY A 436 20.578 20.849 13.962 1.00 0.00 H ATOM 970 H GLY A 436 21.293 18.829 14.871 1.00 0.00 H ATOM 971 N ALA A 437 18.564 18.658 13.174 1.00 27.98 N ATOM 972 CA ALA A 437 17.175 18.386 12.841 1.00 24.22 C ATOM 973 C ALA A 437 16.326 18.581 14.072 1.00 22.70 C ATOM 974 O ALA A 437 16.748 18.248 15.183 1.00 28.06 O ATOM 975 CB ALA A 437 17.009 16.948 12.303 1.00 25.85 C ATOM 976 HA ALA A 437 16.856 19.075 12.059 1.00 0.00 H ATOM 977 HB1 ALA A 437 17.616 16.825 11.406 1.00 0.00 H ATOM 978 HB2 ALA A 437 17.333 16.237 13.063 1.00 0.00 H ATOM 979 HB3 ALA A 437 15.961 16.770 12.062 1.00 0.00 H ATOM 980 H ALA A 437 19.120 17.951 13.696 1.00 0.00 H ATOM 981 N GLU A 438 15.115 19.086 13.870 1.00 20.37 N ATOM 982 CA GLU A 438 14.176 19.250 14.961 1.00 19.36 C ATOM 983 C GLU A 438 13.909 17.900 15.637 1.00 19.83 C ATOM 984 O GLU A 438 13.766 16.888 14.971 1.00 21.18 O ATOM 985 CB GLU A 438 12.871 19.844 14.425 1.00 19.36 C ATOM 986 CG GLU A 438 11.957 20.379 15.529 1.00 15.94 C ATOM 987 CD GLU A 438 10.820 21.203 14.972 1.00 20.47 C ATOM 988 OE1 GLU A 438 10.649 21.231 13.736 1.00 21.92 O ATOM 989 OE2 GLU A 438 10.108 21.850 15.768 1.00 22.70 O ATOM 990 HA GLU A 438 14.600 19.928 15.702 1.00 0.00 H ATOM 991 HB2 GLU A 438 13.115 20.663 13.749 1.00 0.00 H ATOM 992 HB3 GLU A 438 12.336 19.069 13.877 1.00 0.00 H ATOM 993 HG2 GLU A 438 11.543 19.536 16.083 1.00 0.00 H ATOM 994 HG3 GLU A 438 12.546 21.001 16.203 1.00 0.00 H ATOM 995 H GLU A 438 14.835 19.370 12.909 1.00 0.00 H ATOM 996 N THR A 439 13.826 17.901 16.962 1.00 19.73 N ATOM 997 CA THR A 439 13.536 16.677 17.722 1.00 19.31 C ATOM 998 C THR A 439 12.157 16.796 18.344 1.00 19.04 C ATOM 999 O THR A 439 11.896 17.711 19.110 1.00 21.87 O ATOM 1000 CB THR A 439 14.572 16.435 18.814 1.00 22.25 C ATOM 1001 OG1 THR A 439 15.852 16.252 18.198 1.00 21.35 O ATOM 1002 CG2 THR A 439 14.235 15.196 19.653 1.00 22.35 C ATOM 1003 HA THR A 439 13.572 15.830 17.037 1.00 0.00 H ATOM 1004 HB THR A 439 14.578 17.298 19.480 1.00 0.00 H ATOM 1005 HG1 THR A 439 16.088 17.064 17.683 1.00 0.00 H ATOM 1006 HG23 THR A 439 13.261 15.331 20.124 1.00 0.00 H ATOM 1007 HG21 THR A 439 14.209 14.318 19.008 1.00 0.00 H ATOM 1008 HG22 THR A 439 14.996 15.061 20.422 1.00 0.00 H ATOM 1009 H THR A 439 13.970 18.793 17.477 1.00 0.00 H ATOM 1010 N PHE A 440 11.285 15.858 17.994 1.00 18.69 N ATOM 1011 CA PHE A 440 9.914 15.829 18.473 1.00 20.48 C ATOM 1012 C PHE A 440 9.783 14.771 19.550 1.00 20.20 C ATOM 1013 O PHE A 440 10.101 13.600 19.311 1.00 22.57 O ATOM 1014 CB PHE A 440 8.986 15.423 17.322 1.00 19.83 C ATOM 1015 CG PHE A 440 8.734 16.502 16.325 1.00 18.04 C ATOM 1016 CD1 PHE A 440 9.766 17.002 15.536 1.00 19.53 C ATOM 1017 CD2 PHE A 440 7.444 17.014 16.150 1.00 17.93 C ATOM 1018 CE1 PHE A 440 9.518 18.010 14.601 1.00 21.88 C ATOM 1019 CE2 PHE A 440 7.197 18.016 15.216 1.00 19.95 C ATOM 1020 CZ PHE A 440 8.228 18.514 14.440 1.00 19.72 C ATOM 1021 HA PHE A 440 9.651 16.814 18.859 1.00 0.00 H ATOM 1022 HB2 PHE A 440 9.436 14.577 16.803 1.00 0.00 H ATOM 1023 HB3 PHE A 440 8.029 15.120 17.746 1.00 0.00 H ATOM 1024 HD2 PHE A 440 6.623 16.624 16.752 1.00 0.00 H ATOM 1025 HE2 PHE A 440 6.188 18.410 15.096 1.00 0.00 H ATOM 1026 HZ PHE A 440 8.033 19.296 13.706 1.00 0.00 H ATOM 1027 HE1 PHE A 440 10.335 18.403 13.996 1.00 0.00 H ATOM 1028 HD1 PHE A 440 10.775 16.604 15.648 1.00 0.00 H ATOM 1029 H PHE A 440 11.599 15.108 17.346 1.00 0.00 H ATOM 1030 N TYR A 441 9.350 15.180 20.738 1.00 17.44 N ATOM 1031 CA TYR A 441 8.998 14.237 21.801 1.00 18.36 C ATOM 1032 C TYR A 441 7.492 14.017 21.707 1.00 18.82 C ATOM 1033 O TYR A 441 6.706 14.957 21.850 1.00 20.25 O ATOM 1034 CB TYR A 441 9.370 14.829 23.157 1.00 20.49 C ATOM 1035 CG TYR A 441 10.861 15.013 23.287 1.00 18.75 C ATOM 1036 CD1 TYR A 441 11.485 16.170 22.818 1.00 24.42 C ATOM 1037 CD2 TYR A 441 11.647 14.019 23.827 1.00 22.07 C ATOM 1038 CE1 TYR A 441 12.857 16.331 22.904 1.00 25.32 C ATOM 1039 CE2 TYR A 441 13.015 14.166 23.923 1.00 27.07 C ATOM 1040 CZ TYR A 441 13.614 15.321 23.462 1.00 28.82 C ATOM 1041 OH TYR A 441 14.981 15.465 23.558 1.00 32.43 O ATOM 1042 HA TYR A 441 9.533 13.293 21.694 1.00 0.00 H ATOM 1043 HB3 TYR A 441 9.025 14.158 23.944 1.00 0.00 H ATOM 1044 HB2 TYR A 441 8.882 15.797 23.267 1.00 0.00 H ATOM 1045 HD2 TYR A 441 11.180 13.101 24.184 1.00 0.00 H ATOM 1046 HE2 TYR A 441 13.621 13.373 24.361 1.00 0.00 H ATOM 1047 HE1 TYR A 441 13.332 17.241 22.537 1.00 0.00 H ATOM 1048 HD1 TYR A 441 10.880 16.962 22.376 1.00 0.00 H ATOM 1049 HH TYR A 441 15.246 16.343 23.185 1.00 0.00 H ATOM 1050 H TYR A 441 9.259 16.200 20.918 1.00 0.00 H ATOM 1051 N VAL A 442 7.105 12.777 21.438 1.00 18.77 N ATOM 1052 CA VAL A 442 5.710 12.450 21.188 1.00 21.38 C ATOM 1053 C VAL A 442 5.148 11.649 22.342 1.00 23.10 C ATOM 1054 O VAL A 442 5.887 10.987 23.059 1.00 20.22 O ATOM 1055 CB VAL A 442 5.519 11.639 19.873 1.00 18.67 C ATOM 1056 CG1 VAL A 442 5.789 12.504 18.634 1.00 19.18 C ATOM 1057 CG2 VAL A 442 6.389 10.370 19.829 1.00 18.84 C ATOM 1058 HA VAL A 442 5.177 13.395 21.085 1.00 0.00 H ATOM 1059 HB VAL A 442 4.475 11.325 19.862 1.00 0.00 H ATOM 1060 HG11 VAL A 442 5.098 13.347 18.623 1.00 0.00 H ATOM 1061 HG12 VAL A 442 6.814 12.873 18.666 1.00 0.00 H ATOM 1062 HG13 VAL A 442 5.646 11.904 17.735 1.00 0.00 H ATOM 1063 HG21 VAL A 442 7.440 10.649 19.901 1.00 0.00 H ATOM 1064 HG22 VAL A 442 6.126 9.721 20.664 1.00 0.00 H ATOM 1065 HG23 VAL A 442 6.215 9.844 18.890 1.00 0.00 H ATOM 1066 H VAL A 442 7.817 12.020 21.405 1.00 0.00 H ATOM 1067 N ASP A 443 3.838 11.721 22.525 1.00 18.49 N ATOM 1068 CA ASP A 443 3.179 10.852 23.487 1.00 20.19 C ATOM 1069 C ASP A 443 1.687 10.866 23.250 1.00 22.03 C ATOM 1070 O ASP A 443 1.176 11.700 22.516 1.00 19.98 O ATOM 1071 CB ASP A 443 3.489 11.305 24.915 1.00 19.77 C ATOM 1072 CG ASP A 443 3.252 10.206 25.940 1.00 19.40 C ATOM 1073 OD1 ASP A 443 3.196 9.012 25.559 1.00 21.81 O ATOM 1074 OD2 ASP A 443 3.098 10.550 27.129 1.00 21.93 O ATOM 1075 HA ASP A 443 3.552 9.836 23.358 1.00 0.00 H ATOM 1076 HB2 ASP A 443 4.534 11.611 24.966 1.00 0.00 H ATOM 1077 HB3 ASP A 443 2.851 12.154 25.159 1.00 0.00 H ATOM 1078 H ASP A 443 3.277 12.404 21.977 1.00 0.00 H ATOM 1079 N GLY A 444 0.994 9.912 23.859 1.00 21.34 N ATOM 1080 CA GLY A 444 -0.450 9.883 23.788 1.00 23.43 C ATOM 1081 C GLY A 444 -1.022 9.365 25.087 1.00 23.61 C ATOM 1082 O GLY A 444 -0.327 8.703 25.876 1.00 23.23 O ATOM 1083 HA3 GLY A 444 -0.758 9.230 22.972 1.00 0.00 H ATOM 1084 HA2 GLY A 444 -0.823 10.891 23.606 1.00 0.00 H ATOM 1085 H GLY A 444 1.496 9.175 24.394 1.00 0.00 H ATOM 1086 N ALA A 445 -2.288 9.685 25.324 1.00 24.38 N ATOM 1087 CA ALA A 445 -3.013 9.169 26.475 1.00 26.12 C ATOM 1088 C ALA A 445 -4.454 8.959 26.042 1.00 28.82 C ATOM 1089 O ALA A 445 -4.971 9.695 25.203 1.00 26.95 O ATOM 1090 CB ALA A 445 -2.942 10.152 27.644 1.00 25.69 C ATOM 1091 HA ALA A 445 -2.573 8.232 26.815 1.00 0.00 H ATOM 1092 HB1 ALA A 445 -1.900 10.307 27.924 1.00 0.00 H ATOM 1093 HB2 ALA A 445 -3.385 11.102 27.345 1.00 0.00 H ATOM 1094 HB3 ALA A 445 -3.491 9.745 28.493 1.00 0.00 H ATOM 1095 H ALA A 445 -2.777 10.325 24.666 1.00 0.00 H ATOM 1096 N ALA A 446 -5.108 7.952 26.601 1.00 31.07 N ATOM 1097 CA ALA A 446 -6.502 7.702 26.272 1.00 26.02 C ATOM 1098 C ALA A 446 -7.244 7.166 27.476 1.00 34.88 C ATOM 1099 O ALA A 446 -6.651 6.552 28.363 1.00 30.35 O ATOM 1100 CB ALA A 446 -6.623 6.753 25.117 1.00 25.71 C ATOM 1101 HA ALA A 446 -6.953 8.650 25.979 1.00 0.00 H ATOM 1102 HB1 ALA A 446 -6.130 7.180 24.244 1.00 0.00 H ATOM 1103 HB2 ALA A 446 -6.150 5.806 25.376 1.00 0.00 H ATOM 1104 HB3 ALA A 446 -7.677 6.586 24.895 1.00 0.00 H ATOM 1105 H ALA A 446 -4.620 7.335 27.281 1.00 0.00 H ATOM 1106 N ASN A 447 -8.547 7.416 27.495 1.00 33.96 N ATOM 1107 CA ASN A 447 -9.422 6.944 28.562 1.00 34.31 C ATOM 1108 C ASN A 447 -9.993 5.595 28.169 1.00 34.27 C ATOM 1109 O ASN A 447 -10.618 5.473 27.119 1.00 35.27 O ATOM 1110 CB ASN A 447 -10.544 7.957 28.767 1.00 36.58 C ATOM 1111 CG ASN A 447 -11.542 7.519 29.802 1.00 44.23 C ATOM 1112 OD1 ASN A 447 -12.427 6.714 29.517 1.00 46.15 O ATOM 1113 ND2 ASN A 447 -11.413 8.049 31.013 1.00 43.40 N ATOM 1114 HA ASN A 447 -8.865 6.837 29.493 1.00 0.00 H ATOM 1115 HB2 ASN A 447 -10.106 8.903 29.084 1.00 0.00 H ATOM 1116 HB3 ASN A 447 -11.064 8.098 27.819 1.00 0.00 H ATOM 1117 HD22 ASN A 447 -10.648 8.726 31.205 1.00 0.00 H ATOM 1118 HD21 ASN A 447 -12.077 7.787 31.769 1.00 0.00 H ATOM 1119 H ASN A 447 -8.961 7.970 26.718 1.00 0.00 H ATOM 1120 N ARG A 448 -9.759 4.583 29.005 1.00 40.31 N ATOM 1121 CA ARG A 448 -10.125 3.194 28.696 1.00 46.32 C ATOM 1122 C ARG A 448 -11.607 2.981 28.370 1.00 46.97 C ATOM 1123 O ARG A 448 -11.947 2.197 27.481 1.00 51.58 O ATOM 1124 CB ARG A 448 -9.723 2.267 29.848 1.00 46.75 C ATOM 1125 CG ARG A 448 -9.909 0.786 29.535 1.00 54.06 C ATOM 1126 CD ARG A 448 -9.793 -0.079 30.788 1.00 58.74 C ATOM 1127 NE ARG A 448 -10.714 0.368 31.830 1.00 59.76 N ATOM 1128 CZ ARG A 448 -12.033 0.212 31.776 1.00 58.53 C ATOM 1129 NH1 ARG A 448 -12.592 -0.380 30.727 1.00 55.36 N ATOM 1130 NH2 ARG A 448 -12.794 0.652 32.769 1.00 61.81 N ATOM 1131 HA ARG A 448 -9.573 2.950 27.788 1.00 0.00 H ATOM 1132 HB2 ARG A 448 -8.672 2.441 30.080 1.00 0.00 H ATOM 1133 HB3 ARG A 448 -10.331 2.514 30.718 1.00 0.00 H ATOM 1134 HG2 ARG A 448 -10.896 0.640 29.095 1.00 0.00 H ATOM 1135 HG3 ARG A 448 -9.145 0.478 28.821 1.00 0.00 H ATOM 1136 HD2 ARG A 448 -8.773 -0.020 31.167 1.00 0.00 H ATOM 1137 HD3 ARG A 448 -10.024 -1.112 30.529 1.00 0.00 H ATOM 1138 HE ARG A 448 -10.313 0.838 32.667 1.00 0.00 H ATOM 1139 HH12 ARG A 448 -13.624 -0.501 30.687 1.00 0.00 H ATOM 1140 HH11 ARG A 448 -11.998 -0.723 29.945 1.00 0.00 H ATOM 1141 HH22 ARG A 448 -13.826 0.530 32.727 1.00 0.00 H ATOM 1142 HH21 ARG A 448 -12.359 1.119 33.590 1.00 0.00 H ATOM 1143 H ARG A 448 -9.298 4.786 29.915 1.00 0.00 H ATOM 1144 N GLU A 449 -12.481 3.669 29.098 1.00 43.30 N ATOM 1145 CA GLU A 449 -13.922 3.522 28.906 1.00 48.91 C ATOM 1146 C GLU A 449 -14.490 4.359 27.755 1.00 53.73 C ATOM 1147 O GLU A 449 -15.264 3.857 26.939 1.00 55.38 O ATOM 1148 CB GLU A 449 -14.654 3.875 30.198 1.00 52.46 C ATOM 1149 CG GLU A 449 -14.367 5.275 30.691 1.00 60.84 C ATOM 1150 CD GLU A 449 -14.823 5.502 32.113 1.00 71.74 C ATOM 1151 OE1 GLU A 449 -14.246 6.383 32.786 1.00 74.89 O ATOM 1152 OE2 GLU A 449 -15.758 4.800 32.556 1.00 75.84 O ATOM 1153 HA GLU A 449 -14.084 2.478 28.637 1.00 0.00 H ATOM 1154 HB2 GLU A 449 -15.726 3.783 30.023 1.00 0.00 H ATOM 1155 HB3 GLU A 449 -14.351 3.168 30.971 1.00 0.00 H ATOM 1156 HG2 GLU A 449 -13.292 5.449 30.638 1.00 0.00 H ATOM 1157 HG3 GLU A 449 -14.881 5.985 30.043 1.00 0.00 H ATOM 1158 H GLU A 449 -12.130 4.328 29.822 1.00 0.00 H ATOM 1159 N THR A 450 -14.113 5.634 27.697 1.00 53.59 N ATOM 1160 CA THR A 450 -14.703 6.572 26.742 1.00 47.80 C ATOM 1161 C THR A 450 -14.026 6.531 25.373 1.00 42.80 C ATOM 1162 O THR A 450 -14.619 6.932 24.368 1.00 43.19 O ATOM 1163 CB THR A 450 -14.640 8.009 27.275 1.00 44.91 C ATOM 1164 OG1 THR A 450 -13.272 8.381 27.463 1.00 48.06 O ATOM 1165 CG2 THR A 450 -15.365 8.117 28.611 1.00 42.07 C ATOM 1166 HA THR A 450 -15.740 6.258 26.620 1.00 0.00 H ATOM 1167 HB THR A 450 -15.120 8.670 26.554 1.00 0.00 H ATOM 1168 HG1 THR A 450 -12.850 7.766 28.114 1.00 0.00 H ATOM 1169 HG23 THR A 450 -16.410 7.836 28.480 1.00 0.00 H ATOM 1170 HG21 THR A 450 -14.895 7.449 29.333 1.00 0.00 H ATOM 1171 HG22 THR A 450 -15.307 9.144 28.973 1.00 0.00 H ATOM 1172 H THR A 450 -13.378 5.973 28.349 1.00 0.00 H ATOM 1173 N LYS A 451 -12.786 6.049 25.341 1.00 35.36 N ATOM 1174 CA LYS A 451 -12.010 5.952 24.107 1.00 33.58 C ATOM 1175 C LYS A 451 -11.656 7.345 23.566 1.00 28.89 C ATOM 1176 O LYS A 451 -11.216 7.483 22.428 1.00 34.76 O ATOM 1177 CB LYS A 451 -12.728 5.091 23.054 1.00 35.83 C ATOM 1178 CG LYS A 451 -12.955 3.636 23.510 1.00 39.25 C ATOM 1179 CD LYS A 451 -12.120 2.648 22.693 1.00 41.72 C ATOM 1180 CE LYS A 451 -12.586 2.580 21.259 1.00 39.04 C ATOM 1181 NZ LYS A 451 -11.666 1.792 20.381 1.00 43.90 N ATOM 1182 HA LYS A 451 -11.073 5.447 24.342 1.00 0.00 H ATOM 1183 HB2 LYS A 451 -13.697 5.542 22.840 1.00 0.00 H ATOM 1184 HB3 LYS A 451 -12.125 5.080 22.146 1.00 0.00 H ATOM 1185 HG2 LYS A 451 -12.678 3.548 24.561 1.00 0.00 H ATOM 1186 HG3 LYS A 451 -14.010 3.389 23.391 1.00 0.00 H ATOM 1187 HD2 LYS A 451 -11.077 2.965 22.712 1.00 0.00 H ATOM 1188 HD3 LYS A 451 -12.205 1.658 23.140 1.00 0.00 H ATOM 1189 HE2 LYS A 451 -12.655 3.595 20.868 1.00 0.00 H ATOM 1190 HE3 LYS A 451 -13.572 2.115 21.236 1.00 0.00 H ATOM 1191 HZ1 LYS A 451 -10.723 2.231 20.387 1.00 0.00 H ATOM 1192 HZ2 LYS A 451 -11.598 0.818 20.738 1.00 0.00 H ATOM 1193 HZ3 LYS A 451 -12.039 1.782 19.410 1.00 0.00 H ATOM 1194 H LYS A 451 -12.352 5.729 26.230 1.00 0.00 H ATOM 1195 N LEU A 452 -11.865 8.362 24.398 1.00 29.79 N ATOM 1196 CA LEU A 452 -11.356 9.702 24.113 1.00 33.47 C ATOM 1197 C LEU A 452 -9.877 9.699 24.451 1.00 36.10 C ATOM 1198 O LEU A 452 -9.469 9.115 25.453 1.00 36.85 O ATOM 1199 CB LEU A 452 -12.062 10.751 24.977 1.00 38.04 C ATOM 1200 CG LEU A 452 -11.671 12.218 24.755 1.00 44.65 C ATOM 1201 CD1 LEU A 452 -12.259 12.754 23.454 1.00 42.25 C ATOM 1202 CD2 LEU A 452 -12.114 13.076 25.928 1.00 53.04 C ATOM 1203 HA LEU A 452 -11.532 9.951 23.067 1.00 0.00 H ATOM 1204 HB2 LEU A 452 -13.132 10.664 24.790 1.00 0.00 H ATOM 1205 HB3 LEU A 452 -11.856 10.510 26.020 1.00 0.00 H ATOM 1206 HG LEU A 452 -10.585 12.265 24.681 1.00 0.00 H ATOM 1207 HD21 LEU A 452 -13.197 13.012 26.035 1.00 0.00 H ATOM 1208 HD22 LEU A 452 -11.636 12.718 26.840 1.00 0.00 H ATOM 1209 HD23 LEU A 452 -11.826 14.112 25.748 1.00 0.00 H ATOM 1210 HD11 LEU A 452 -11.886 12.163 22.617 1.00 0.00 H ATOM 1211 HD12 LEU A 452 -13.346 12.685 23.493 1.00 0.00 H ATOM 1212 HD13 LEU A 452 -11.964 13.795 23.325 1.00 0.00 H ATOM 1213 H LEU A 452 -12.404 8.199 25.273 1.00 0.00 H ATOM 1214 N GLY A 453 -9.066 10.355 23.633 1.00 31.49 N ATOM 1215 CA GLY A 453 -7.644 10.419 23.916 1.00 27.66 C ATOM 1216 C GLY A 453 -7.012 11.704 23.415 1.00 29.71 C ATOM 1217 O GLY A 453 -7.677 12.529 22.785 1.00 31.87 O ATOM 1218 HA3 GLY A 453 -7.152 9.575 23.432 1.00 0.00 H ATOM 1219 HA2 GLY A 453 -7.498 10.354 24.994 1.00 0.00 H ATOM 1220 H GLY A 453 -9.449 10.824 22.788 1.00 0.00 H ATOM 1221 N LYS A 454 -5.728 11.884 23.707 1.00 21.96 N ATOM 1222 CA LYS A 454 -4.984 13.002 23.136 1.00 23.22 C ATOM 1223 C LYS A 454 -3.684 12.481 22.555 1.00 23.17 C ATOM 1224 O LYS A 454 -3.102 11.530 23.081 1.00 24.27 O ATOM 1225 CB LYS A 454 -4.701 14.085 24.185 1.00 24.86 C ATOM 1226 CG LYS A 454 -5.940 14.855 24.686 1.00 24.58 C ATOM 1227 CD LYS A 454 -5.586 15.892 25.727 1.00 27.25 C ATOM 1228 CE LYS A 454 -6.806 16.732 26.106 1.00 31.45 C ATOM 1229 NZ LYS A 454 -6.490 17.804 27.100 1.00 32.77 N ATOM 1230 HA LYS A 454 -5.587 13.460 22.352 1.00 0.00 H ATOM 1231 HB2 LYS A 454 -4.230 13.607 25.044 1.00 0.00 H ATOM 1232 HB3 LYS A 454 -4.010 14.806 23.748 1.00 0.00 H ATOM 1233 HG2 LYS A 454 -6.410 15.354 23.838 1.00 0.00 H ATOM 1234 HG3 LYS A 454 -6.642 14.145 25.122 1.00 0.00 H ATOM 1235 HD2 LYS A 454 -5.210 15.389 26.618 1.00 0.00 H ATOM 1236 HD3 LYS A 454 -4.812 16.548 25.328 1.00 0.00 H ATOM 1237 HE2 LYS A 454 -7.563 16.074 26.533 1.00 0.00 H ATOM 1238 HE3 LYS A 454 -7.200 17.199 25.204 1.00 0.00 H ATOM 1239 HZ1 LYS A 454 -6.121 17.370 27.970 1.00 0.00 H ATOM 1240 HZ2 LYS A 454 -5.775 18.445 26.701 1.00 0.00 H ATOM 1241 HZ3 LYS A 454 -7.355 18.339 27.318 1.00 0.00 H ATOM 1242 H LYS A 454 -5.248 11.221 24.349 1.00 0.00 H ATOM 1243 N ALA A 455 -3.241 13.089 21.459 1.00 21.05 N ATOM 1244 CA ALA A 455 -1.935 12.766 20.868 1.00 18.04 C ATOM 1245 C ALA A 455 -1.240 14.108 20.703 1.00 22.38 C ATOM 1246 O ALA A 455 -1.887 15.123 20.402 1.00 23.87 O ATOM 1247 CB ALA A 455 -2.083 12.101 19.529 1.00 20.74 C ATOM 1248 HA ALA A 455 -1.377 12.072 21.497 1.00 0.00 H ATOM 1249 HB1 ALA A 455 -2.647 11.176 19.645 1.00 0.00 H ATOM 1250 HB2 ALA A 455 -2.613 12.769 18.850 1.00 0.00 H ATOM 1251 HB3 ALA A 455 -1.096 11.878 19.124 1.00 0.00 H ATOM 1252 H ALA A 455 -3.835 13.813 21.007 1.00 0.00 H ATOM 1253 N GLY A 456 0.072 14.142 20.879 1.00 20.97 N ATOM 1254 CA GLY A 456 0.730 15.438 20.819 1.00 21.15 C ATOM 1255 C GLY A 456 2.229 15.324 20.735 1.00 22.21 C ATOM 1256 O GLY A 456 2.771 14.231 20.781 1.00 17.95 O ATOM 1257 HA3 GLY A 456 0.472 16.002 21.715 1.00 0.00 H ATOM 1258 HA2 GLY A 456 0.371 15.972 19.939 1.00 0.00 H ATOM 1259 H GLY A 456 0.614 13.272 21.054 1.00 0.00 H ATOM 1260 N TYR A 457 2.885 16.470 20.595 1.00 21.04 N ATOM 1261 CA TYR A 457 4.333 16.532 20.599 1.00 19.06 C ATOM 1262 C TYR A 457 4.779 17.825 21.250 1.00 21.22 C ATOM 1263 O TYR A 457 4.026 18.820 21.320 1.00 18.87 O ATOM 1264 CB TYR A 457 4.932 16.397 19.173 1.00 17.99 C ATOM 1265 CG TYR A 457 4.552 17.485 18.163 1.00 16.50 C ATOM 1266 CD1 TYR A 457 4.994 18.797 18.324 1.00 19.02 C ATOM 1267 CD2 TYR A 457 3.770 17.188 17.054 1.00 19.98 C ATOM 1268 CE1 TYR A 457 4.665 19.797 17.404 1.00 20.34 C ATOM 1269 CE2 TYR A 457 3.441 18.168 16.102 1.00 20.57 C ATOM 1270 CZ TYR A 457 3.895 19.480 16.301 1.00 19.73 C ATOM 1271 OH TYR A 457 3.585 20.491 15.423 1.00 22.81 O ATOM 1272 HA TYR A 457 4.706 15.685 21.174 1.00 0.00 H ATOM 1273 HB3 TYR A 457 4.606 15.440 18.766 1.00 0.00 H ATOM 1274 HB2 TYR A 457 6.018 16.399 19.269 1.00 0.00 H ATOM 1275 HD2 TYR A 457 3.403 16.171 16.919 1.00 0.00 H ATOM 1276 HE2 TYR A 457 2.845 17.913 15.226 1.00 0.00 H ATOM 1277 HE1 TYR A 457 5.013 20.819 17.555 1.00 0.00 H ATOM 1278 HD1 TYR A 457 5.610 19.049 19.187 1.00 0.00 H ATOM 1279 HH TYR A 457 3.996 21.336 15.736 1.00 0.00 H ATOM 1280 H TYR A 457 2.343 17.350 20.479 1.00 0.00 H ATOM 1281 N VAL A 458 6.010 17.811 21.736 1.00 17.85 N ATOM 1282 CA VAL A 458 6.706 19.054 22.030 1.00 19.14 C ATOM 1283 C VAL A 458 8.067 18.908 21.371 1.00 20.95 C ATOM 1284 O VAL A 458 8.619 17.801 21.314 1.00 21.30 O ATOM 1285 CB VAL A 458 6.859 19.326 23.574 1.00 25.51 C ATOM 1286 CG1 VAL A 458 5.505 19.263 24.290 1.00 23.96 C ATOM 1287 CG2 VAL A 458 7.837 18.360 24.208 1.00 29.96 C ATOM 1288 HA VAL A 458 6.142 19.907 21.653 1.00 0.00 H ATOM 1289 HB VAL A 458 7.255 20.335 23.686 1.00 0.00 H ATOM 1290 HG11 VAL A 458 4.838 20.016 23.870 1.00 0.00 H ATOM 1291 HG12 VAL A 458 5.069 18.273 24.154 1.00 0.00 H ATOM 1292 HG13 VAL A 458 5.648 19.455 25.353 1.00 0.00 H ATOM 1293 HG21 VAL A 458 7.480 17.340 24.069 1.00 0.00 H ATOM 1294 HG22 VAL A 458 8.814 18.472 23.737 1.00 0.00 H ATOM 1295 HG23 VAL A 458 7.919 18.575 25.273 1.00 0.00 H ATOM 1296 H VAL A 458 6.485 16.902 21.909 1.00 0.00 H ATOM 1297 N THR A 459 8.623 19.999 20.857 1.00 21.34 N ATOM 1298 CA THR A 459 9.898 19.863 20.163 1.00 21.25 C ATOM 1299 C THR A 459 10.984 20.710 20.791 1.00 23.10 C ATOM 1300 O THR A 459 10.711 21.623 21.586 1.00 21.54 O ATOM 1301 CB THR A 459 9.799 20.257 18.666 1.00 19.46 C ATOM 1302 OG1 THR A 459 9.960 21.681 18.537 1.00 20.56 O ATOM 1303 CG2 THR A 459 8.459 19.833 18.082 1.00 18.69 C ATOM 1304 HA THR A 459 10.155 18.807 20.249 1.00 0.00 H ATOM 1305 HB THR A 459 10.588 19.745 18.115 1.00 0.00 H ATOM 1306 HG1 THR A 459 9.897 21.934 17.582 1.00 0.00 H ATOM 1307 HG23 THR A 459 8.345 18.754 18.184 1.00 0.00 H ATOM 1308 HG21 THR A 459 7.655 20.337 18.618 1.00 0.00 H ATOM 1309 HG22 THR A 459 8.421 20.106 17.027 1.00 0.00 H ATOM 1310 H THR A 459 8.161 20.926 20.947 1.00 0.00 H ATOM 1311 N ASN A 460 12.223 20.397 20.426 1.00 23.63 N ATOM 1312 CA ASN A 460 13.358 21.179 20.910 1.00 23.70 C ATOM 1313 C ASN A 460 13.515 22.531 20.208 1.00 26.02 C ATOM 1314 O ASN A 460 14.484 23.258 20.458 1.00 29.76 O ATOM 1315 CB ASN A 460 14.648 20.362 20.806 1.00 24.01 C ATOM 1316 CG ASN A 460 15.056 20.108 19.385 1.00 29.61 C ATOM 1317 OD1 ASN A 460 14.281 20.307 18.450 1.00 25.57 O ATOM 1318 ND2 ASN A 460 16.289 19.651 19.207 1.00 42.12 N ATOM 1319 HA ASN A 460 13.153 21.406 21.956 1.00 0.00 H ATOM 1320 HB2 ASN A 460 15.448 20.907 21.307 1.00 0.00 H ATOM 1321 HB3 ASN A 460 14.496 19.404 21.303 1.00 0.00 H ATOM 1322 HD22 ASN A 460 16.910 19.497 20.027 1.00 0.00 H ATOM 1323 HD21 ASN A 460 16.634 19.446 18.248 1.00 0.00 H ATOM 1324 H ASN A 460 12.386 19.589 19.791 1.00 0.00 H ATOM 1325 N ARG A 461 12.565 22.888 19.348 1.00 22.60 N ATOM 1326 CA ARG A 461 12.550 24.234 18.794 1.00 22.02 C ATOM 1327 C ARG A 461 11.382 25.035 19.365 1.00 24.92 C ATOM 1328 O ARG A 461 11.038 26.083 18.846 1.00 27.98 O ATOM 1329 CB ARG A 461 12.499 24.223 17.260 1.00 18.93 C ATOM 1330 CG ARG A 461 13.685 23.502 16.629 1.00 18.91 C ATOM 1331 CD ARG A 461 13.657 23.521 15.122 1.00 24.32 C ATOM 1332 NE ARG A 461 14.889 22.956 14.577 1.00 24.42 N ATOM 1333 CZ ARG A 461 15.136 22.809 13.279 1.00 24.83 C ATOM 1334 NH1 ARG A 461 14.228 23.154 12.375 1.00 27.07 N ATOM 1335 NH2 ARG A 461 16.290 22.289 12.880 1.00 25.18 N ATOM 1336 HA ARG A 461 13.483 24.717 19.084 1.00 0.00 H ATOM 1337 HB2 ARG A 461 11.582 23.724 16.946 1.00 0.00 H ATOM 1338 HB3 ARG A 461 12.490 25.254 16.905 1.00 0.00 H ATOM 1339 HG2 ARG A 461 14.603 23.984 16.965 1.00 0.00 H ATOM 1340 HG3 ARG A 461 13.678 22.464 16.963 1.00 0.00 H ATOM 1341 HD2 ARG A 461 13.552 24.550 14.778 1.00 0.00 H ATOM 1342 HD3 ARG A 461 12.808 22.934 14.772 1.00 0.00 H ATOM 1343 HE ARG A 461 15.621 22.649 15.249 1.00 0.00 H ATOM 1344 HH12 ARG A 461 14.431 23.035 11.362 1.00 0.00 H ATOM 1345 HH11 ARG A 461 13.313 23.543 12.679 1.00 0.00 H ATOM 1346 HH22 ARG A 461 16.485 22.173 11.865 1.00 0.00 H ATOM 1347 HH21 ARG A 461 16.999 21.997 13.582 1.00 0.00 H ATOM 1348 H ARG A 461 11.832 22.204 19.071 1.00 0.00 H ATOM 1349 N GLY A 462 10.766 24.507 20.419 1.00 23.84 N ATOM 1350 CA GLY A 462 9.770 25.250 21.178 1.00 24.53 C ATOM 1351 C GLY A 462 8.347 25.177 20.647 1.00 23.50 C ATOM 1352 O GLY A 462 7.512 26.008 21.011 1.00 24.33 O ATOM 1353 HA3 GLY A 462 10.070 26.298 21.189 1.00 0.00 H ATOM 1354 HA2 GLY A 462 9.768 24.863 22.197 1.00 0.00 H ATOM 1355 H GLY A 462 11.002 23.537 20.709 1.00 0.00 H ATOM 1356 N ARG A 463 8.068 24.193 19.792 1.00 21.86 N ATOM 1357 CA ARG A 463 6.742 24.036 19.218 1.00 22.18 C ATOM 1358 C ARG A 463 6.020 22.923 19.952 1.00 23.20 C ATOM 1359 O ARG A 463 6.644 21.946 20.359 1.00 24.26 O ATOM 1360 CB ARG A 463 6.841 23.614 17.743 1.00 26.14 C ATOM 1361 CG ARG A 463 7.546 24.564 16.832 1.00 33.51 C ATOM 1362 CD ARG A 463 7.052 24.323 15.413 1.00 34.52 C ATOM 1363 NE ARG A 463 7.760 23.252 14.702 1.00 31.79 N ATOM 1364 CZ ARG A 463 7.295 22.676 13.596 1.00 28.78 C ATOM 1365 NH1 ARG A 463 6.105 23.026 13.124 1.00 26.16 N ATOM 1366 NH2 ARG A 463 8.001 21.748 12.968 1.00 23.93 N ATOM 1367 HA ARG A 463 6.214 24.986 19.303 1.00 0.00 H ATOM 1368 HB2 ARG A 463 7.369 22.661 17.704 1.00 0.00 H ATOM 1369 HB3 ARG A 463 5.827 23.482 17.366 1.00 0.00 H ATOM 1370 HG2 ARG A 463 7.328 25.590 17.129 1.00 0.00 H ATOM 1371 HG3 ARG A 463 8.621 24.393 16.882 1.00 0.00 H ATOM 1372 HD2 ARG A 463 7.173 25.247 14.847 1.00 0.00 H ATOM 1373 HD3 ARG A 463 5.995 24.062 15.459 1.00 0.00 H ATOM 1374 HE ARG A 463 8.672 22.926 15.082 1.00 0.00 H ATOM 1375 HH12 ARG A 463 5.736 22.579 12.260 1.00 0.00 H ATOM 1376 HH11 ARG A 463 5.541 23.747 13.618 1.00 0.00 H ATOM 1377 HH22 ARG A 463 7.627 21.305 12.105 1.00 0.00 H ATOM 1378 HH21 ARG A 463 8.930 21.462 13.338 1.00 0.00 H ATOM 1379 H ARG A 463 8.817 23.521 19.529 1.00 0.00 H ATOM 1380 N GLN A 464 4.704 23.057 20.101 1.00 18.28 N ATOM 1381 CA GLN A 464 3.888 22.003 20.712 1.00 20.16 C ATOM 1382 C GLN A 464 2.592 21.886 19.946 1.00 20.07 C ATOM 1383 O GLN A 464 2.101 22.864 19.393 1.00 21.46 O ATOM 1384 CB GLN A 464 3.531 22.358 22.166 1.00 27.07 C ATOM 1385 CG GLN A 464 4.703 22.699 23.059 1.00 37.22 C ATOM 1386 CD GLN A 464 4.263 23.276 24.406 1.00 39.34 C ATOM 1387 OE1 GLN A 464 5.081 23.811 25.148 1.00 49.58 O ATOM 1388 NE2 GLN A 464 2.962 23.179 24.716 1.00 31.78 N ATOM 1389 HA GLN A 464 4.457 21.074 20.690 1.00 0.00 H ATOM 1390 HB2 GLN A 464 2.861 23.218 22.147 1.00 0.00 H ATOM 1391 HB3 GLN A 464 3.013 21.504 22.603 1.00 0.00 H ATOM 1392 HG2 GLN A 464 5.282 21.793 23.238 1.00 0.00 H ATOM 1393 HG3 GLN A 464 5.328 23.433 22.551 1.00 0.00 H ATOM 1394 HE22 GLN A 464 2.303 22.717 24.057 1.00 0.00 H ATOM 1395 HE21 GLN A 464 2.612 23.566 25.616 1.00 0.00 H ATOM 1396 H GLN A 464 4.243 23.931 19.776 1.00 0.00 H ATOM 1397 N LYS A 465 2.029 20.683 19.915 1.00 20.19 N ATOM 1398 CA LYS A 465 0.711 20.497 19.333 1.00 19.22 C ATOM 1399 C LYS A 465 0.016 19.360 20.067 1.00 20.76 C ATOM 1400 O LYS A 465 0.642 18.368 20.443 1.00 21.78 O ATOM 1401 CB LYS A 465 0.815 20.168 17.834 1.00 19.78 C ATOM 1402 CG LYS A 465 -0.516 19.835 17.177 1.00 23.22 C ATOM 1403 CD LYS A 465 -0.398 19.616 15.666 1.00 26.42 C ATOM 1404 CE LYS A 465 -0.251 20.961 14.943 1.00 29.69 C ATOM 1405 NZ LYS A 465 -0.244 20.916 13.432 1.00 30.79 N ATOM 1406 HA LYS A 465 0.138 21.419 19.434 1.00 0.00 H ATOM 1407 HB2 LYS A 465 1.243 21.030 17.323 1.00 0.00 H ATOM 1408 HB3 LYS A 465 1.479 19.311 17.717 1.00 0.00 H ATOM 1409 HG2 LYS A 465 -0.910 18.925 17.631 1.00 0.00 H ATOM 1410 HG3 LYS A 465 -1.208 20.658 17.356 1.00 0.00 H ATOM 1411 HD2 LYS A 465 0.476 18.999 15.459 1.00 0.00 H ATOM 1412 HD3 LYS A 465 -1.293 19.109 15.305 1.00 0.00 H ATOM 1413 HE2 LYS A 465 0.688 21.410 15.266 1.00 0.00 H ATOM 1414 HE3 LYS A 465 -1.081 21.596 15.252 1.00 0.00 H ATOM 1415 HZ1 LYS A 465 0.551 20.329 13.108 1.00 0.00 H ATOM 1416 HZ2 LYS A 465 -1.139 20.507 13.094 1.00 0.00 H ATOM 1417 HZ3 LYS A 465 -0.140 21.881 13.058 1.00 0.00 H ATOM 1418 H LYS A 465 2.537 19.866 20.311 1.00 0.00 H ATOM 1419 N VAL A 466 -1.282 19.514 20.301 1.00 17.74 N ATOM 1420 CA VAL A 466 -2.051 18.405 20.863 1.00 20.96 C ATOM 1421 C VAL A 466 -3.356 18.337 20.118 1.00 24.96 C ATOM 1422 O VAL A 466 -3.941 19.371 19.781 1.00 26.18 O ATOM 1423 CB VAL A 466 -2.353 18.633 22.357 1.00 25.63 C ATOM 1424 CG1 VAL A 466 -3.200 17.483 22.924 1.00 26.20 C ATOM 1425 CG2 VAL A 466 -1.058 18.770 23.131 1.00 26.58 C ATOM 1426 HA VAL A 466 -1.476 17.484 20.767 1.00 0.00 H ATOM 1427 HB VAL A 466 -2.925 19.555 22.459 1.00 0.00 H ATOM 1428 HG11 VAL A 466 -4.142 17.425 22.379 1.00 0.00 H ATOM 1429 HG12 VAL A 466 -2.656 16.545 22.814 1.00 0.00 H ATOM 1430 HG13 VAL A 466 -3.400 17.667 23.980 1.00 0.00 H ATOM 1431 HG21 VAL A 466 -0.470 17.859 23.018 1.00 0.00 H ATOM 1432 HG22 VAL A 466 -0.493 19.618 22.745 1.00 0.00 H ATOM 1433 HG23 VAL A 466 -1.282 18.931 24.186 1.00 0.00 H ATOM 1434 H VAL A 466 -1.749 20.418 20.086 1.00 0.00 H ATOM 1435 N VAL A 467 -3.820 17.123 19.853 1.00 21.90 N ATOM 1436 CA VAL A 467 -5.115 16.957 19.220 1.00 21.14 C ATOM 1437 C VAL A 467 -5.908 15.982 20.064 1.00 26.72 C ATOM 1438 O VAL A 467 -5.334 15.092 20.709 1.00 26.26 O ATOM 1439 CB VAL A 467 -5.004 16.482 17.756 1.00 24.45 C ATOM 1440 CG1 VAL A 467 -4.233 17.512 16.946 1.00 25.48 C ATOM 1441 CG2 VAL A 467 -4.333 15.123 17.656 1.00 26.64 C ATOM 1442 HA VAL A 467 -5.622 17.921 19.168 1.00 0.00 H ATOM 1443 HB VAL A 467 -6.012 16.378 17.354 1.00 0.00 H ATOM 1444 HG11 VAL A 467 -4.758 18.466 16.980 1.00 0.00 H ATOM 1445 HG12 VAL A 467 -3.235 17.630 17.367 1.00 0.00 H ATOM 1446 HG13 VAL A 467 -4.155 17.175 15.912 1.00 0.00 H ATOM 1447 HG21 VAL A 467 -3.329 15.183 18.075 1.00 0.00 H ATOM 1448 HG22 VAL A 467 -4.916 14.389 18.212 1.00 0.00 H ATOM 1449 HG23 VAL A 467 -4.274 14.824 16.609 1.00 0.00 H ATOM 1450 H VAL A 467 -3.253 16.287 20.100 1.00 0.00 H ATOM 1451 N THR A 468 -7.222 16.173 20.080 1.00 25.96 N ATOM 1452 CA THR A 468 -8.106 15.291 20.827 1.00 26.87 C ATOM 1453 C THR A 468 -8.791 14.320 19.868 1.00 32.23 C ATOM 1454 O THR A 468 -9.256 14.706 18.800 1.00 30.13 O ATOM 1455 CB THR A 468 -9.133 16.093 21.633 1.00 26.34 C ATOM 1456 OG1 THR A 468 -8.450 16.964 22.543 1.00 28.34 O ATOM 1457 CG2 THR A 468 -10.025 15.154 22.422 1.00 33.43 C ATOM 1458 HA THR A 468 -7.513 14.719 21.540 1.00 0.00 H ATOM 1459 HB THR A 468 -9.744 16.678 20.945 1.00 0.00 H ATOM 1460 HG1 THR A 468 -9.114 17.482 23.063 1.00 0.00 H ATOM 1461 HG23 THR A 468 -10.548 14.488 21.735 1.00 0.00 H ATOM 1462 HG21 THR A 468 -9.415 14.565 23.107 1.00 0.00 H ATOM 1463 HG22 THR A 468 -10.751 15.736 22.989 1.00 0.00 H ATOM 1464 H THR A 468 -7.628 16.969 19.548 1.00 0.00 H ATOM 1465 N LEU A 469 -8.837 13.047 20.242 1.00 27.93 N ATOM 1466 CA LEU A 469 -9.347 12.026 19.344 1.00 32.47 C ATOM 1467 C LEU A 469 -10.461 11.234 20.003 1.00 22.12 C ATOM 1468 O LEU A 469 -10.532 11.152 21.222 1.00 29.93 O ATOM 1469 CB LEU A 469 -8.221 11.077 18.933 1.00 37.48 C ATOM 1470 CG LEU A 469 -7.026 11.792 18.297 1.00 42.31 C ATOM 1471 CD1 LEU A 469 -5.763 10.976 18.423 1.00 45.23 C ATOM 1472 CD2 LEU A 469 -7.301 12.145 16.854 1.00 44.78 C ATOM 1473 HA LEU A 469 -9.746 12.522 18.459 1.00 0.00 H ATOM 1474 HB2 LEU A 469 -7.875 10.546 19.820 1.00 0.00 H ATOM 1475 HB3 LEU A 469 -8.618 10.360 18.214 1.00 0.00 H ATOM 1476 HG LEU A 469 -6.875 12.722 18.845 1.00 0.00 H ATOM 1477 HD21 LEU A 469 -7.501 11.234 16.290 1.00 0.00 H ATOM 1478 HD22 LEU A 469 -8.168 12.804 16.801 1.00 0.00 H ATOM 1479 HD23 LEU A 469 -6.432 12.651 16.433 1.00 0.00 H ATOM 1480 HD11 LEU A 469 -5.544 10.808 19.478 1.00 0.00 H ATOM 1481 HD12 LEU A 469 -5.900 10.018 17.922 1.00 0.00 H ATOM 1482 HD13 LEU A 469 -4.936 11.515 17.960 1.00 0.00 H ATOM 1483 H LEU A 469 -8.504 12.778 21.190 1.00 0.00 H ATOM 1484 N THR A 470 -11.312 10.638 19.171 1.00 30.78 N ATOM 1485 CA THR A 470 -12.365 9.760 19.664 1.00 35.24 C ATOM 1486 C THR A 470 -12.126 8.332 19.185 1.00 37.18 C ATOM 1487 O THR A 470 -11.381 8.109 18.222 1.00 37.40 O ATOM 1488 CB THR A 470 -13.755 10.219 19.177 1.00 33.22 C ATOM 1489 OG1 THR A 470 -13.774 10.226 17.745 1.00 34.29 O ATOM 1490 CG2 THR A 470 -14.082 11.598 19.701 1.00 32.62 C ATOM 1491 HA THR A 470 -12.341 9.801 20.753 1.00 0.00 H ATOM 1492 HB THR A 470 -14.506 9.525 19.555 1.00 0.00 H ATOM 1493 HG1 THR A 470 -13.082 10.849 17.410 1.00 0.00 H ATOM 1494 HG23 THR A 470 -14.066 11.585 20.791 1.00 0.00 H ATOM 1495 HG21 THR A 470 -13.342 12.310 19.334 1.00 0.00 H ATOM 1496 HG22 THR A 470 -15.073 11.891 19.355 1.00 0.00 H ATOM 1497 H THR A 470 -11.223 10.802 18.148 1.00 0.00 H ATOM 1498 N ASP A 471 -12.769 7.374 19.851 1.00 42.82 N ATOM 1499 CA ASP A 471 -12.678 5.968 19.468 1.00 43.56 C ATOM 1500 C ASP A 471 -11.216 5.563 19.368 1.00 37.78 C ATOM 1501 O ASP A 471 -10.786 4.981 18.372 1.00 40.07 O ATOM 1502 CB ASP A 471 -13.378 5.742 18.120 1.00 48.77 C ATOM 1503 CG ASP A 471 -13.522 4.266 17.763 1.00 51.71 C ATOM 1504 OD1 ASP A 471 -13.422 3.937 16.563 1.00 54.60 O ATOM 1505 OD2 ASP A 471 -13.748 3.439 18.671 1.00 49.79 O ATOM 1506 HA ASP A 471 -13.171 5.358 20.225 1.00 0.00 H ATOM 1507 HB2 ASP A 471 -14.372 6.187 18.165 1.00 0.00 H ATOM 1508 HB3 ASP A 471 -12.797 6.233 17.340 1.00 0.00 H ATOM 1509 H ASP A 471 -13.354 7.636 20.670 1.00 0.00 H ATOM 1510 N THR A 472 -10.443 5.894 20.394 1.00 34.52 N ATOM 1511 CA THR A 472 -9.013 5.625 20.351 1.00 32.99 C ATOM 1512 C THR A 472 -8.545 4.899 21.611 1.00 32.51 C ATOM 1513 O THR A 472 -9.305 4.679 22.551 1.00 33.26 O ATOM 1514 CB THR A 472 -8.190 6.933 20.124 1.00 27.12 C ATOM 1515 OG1 THR A 472 -6.850 6.603 19.741 1.00 30.55 O ATOM 1516 CG2 THR A 472 -8.171 7.772 21.368 1.00 28.97 C ATOM 1517 HA THR A 472 -8.834 4.968 19.500 1.00 0.00 H ATOM 1518 HB THR A 472 -8.665 7.506 19.328 1.00 0.00 H ATOM 1519 HG1 THR A 472 -6.425 6.069 20.458 1.00 0.00 H ATOM 1520 HG23 THR A 472 -9.193 8.019 21.654 1.00 0.00 H ATOM 1521 HG21 THR A 472 -7.692 7.215 22.173 1.00 0.00 H ATOM 1522 HG22 THR A 472 -7.614 8.689 21.178 1.00 0.00 H ATOM 1523 H THR A 472 -10.860 6.347 21.232 1.00 0.00 H ATOM 1524 N THR A 473 -7.281 4.515 21.611 1.00 29.80 N ATOM 1525 CA THR A 473 -6.720 3.731 22.695 1.00 31.18 C ATOM 1526 C THR A 473 -5.362 4.317 23.010 1.00 30.64 C ATOM 1527 O THR A 473 -4.867 5.167 22.276 1.00 29.09 O ATOM 1528 CB THR A 473 -6.530 2.281 22.241 1.00 32.43 C ATOM 1529 OG1 THR A 473 -5.598 2.249 21.152 1.00 27.73 O ATOM 1530 CG2 THR A 473 -7.864 1.680 21.770 1.00 31.52 C ATOM 1531 HA THR A 473 -7.380 3.751 23.562 1.00 0.00 H ATOM 1532 HB THR A 473 -6.156 1.698 23.082 1.00 0.00 H ATOM 1533 HG1 THR A 473 -5.472 1.313 20.855 1.00 0.00 H ATOM 1534 HG23 THR A 473 -8.580 1.700 22.592 1.00 0.00 H ATOM 1535 HG21 THR A 473 -8.250 2.265 20.936 1.00 0.00 H ATOM 1536 HG22 THR A 473 -7.704 0.650 21.450 1.00 0.00 H ATOM 1537 H THR A 473 -6.671 4.782 20.812 1.00 0.00 H ATOM 1538 N ASN A 474 -4.759 3.895 24.110 1.00 28.49 N ATOM 1539 CA ASN A 474 -3.413 4.350 24.418 1.00 31.96 C ATOM 1540 C ASN A 474 -2.468 4.054 23.247 1.00 33.37 C ATOM 1541 O ASN A 474 -1.771 4.951 22.767 1.00 31.25 O ATOM 1542 CB ASN A 474 -2.902 3.740 25.727 1.00 33.59 C ATOM 1543 CG ASN A 474 -3.489 4.418 26.960 1.00 40.01 C ATOM 1544 OD1 ASN A 474 -3.380 5.638 27.135 1.00 37.77 O ATOM 1545 ND2 ASN A 474 -4.108 3.625 27.827 1.00 45.37 N ATOM 1546 HA ASN A 474 -3.442 5.430 24.562 1.00 0.00 H ATOM 1547 HB2 ASN A 474 -3.171 2.684 25.748 1.00 0.00 H ATOM 1548 HB3 ASN A 474 -1.817 3.838 25.758 1.00 0.00 H ATOM 1549 HD22 ASN A 474 -4.177 2.604 27.641 1.00 0.00 H ATOM 1550 HD21 ASN A 474 -4.524 4.025 28.692 1.00 0.00 H ATOM 1551 H ASN A 474 -5.247 3.239 24.753 1.00 0.00 H ATOM 1552 N GLN A 475 -2.468 2.812 22.763 1.00 29.52 N ATOM 1553 CA GLN A 475 -1.634 2.436 21.622 1.00 31.79 C ATOM 1554 C GLN A 475 -1.896 3.291 20.392 1.00 32.90 C ATOM 1555 O GLN A 475 -0.959 3.703 19.699 1.00 31.24 O ATOM 1556 CB GLN A 475 -1.829 0.951 21.260 1.00 34.99 C ATOM 1557 CG GLN A 475 -1.209 -0.002 22.243 1.00 38.26 C ATOM 1558 CD GLN A 475 -1.356 -1.459 21.813 1.00 42.47 C ATOM 1559 OE1 GLN A 475 -2.147 -1.784 20.928 1.00 46.68 O ATOM 1560 NE2 GLN A 475 -0.583 -2.334 22.431 1.00 44.32 N ATOM 1561 HA GLN A 475 -0.604 2.607 21.934 1.00 0.00 H ATOM 1562 HB2 GLN A 475 -2.899 0.747 21.212 1.00 0.00 H ATOM 1563 HB3 GLN A 475 -1.382 0.774 20.282 1.00 0.00 H ATOM 1564 HG2 GLN A 475 -0.148 0.231 22.335 1.00 0.00 H ATOM 1565 HG3 GLN A 475 -1.694 0.128 23.211 1.00 0.00 H ATOM 1566 HE22 GLN A 475 0.072 -2.016 23.174 1.00 0.00 H ATOM 1567 HE21 GLN A 475 -0.629 -3.341 22.175 1.00 0.00 H ATOM 1568 H GLN A 475 -3.075 2.094 23.207 1.00 0.00 H ATOM 1569 N LYS A 476 -3.166 3.553 20.102 1.00 33.49 N ATOM 1570 CA LYS A 476 -3.498 4.315 18.908 1.00 32.14 C ATOM 1571 C LYS A 476 -3.074 5.784 19.027 1.00 28.97 C ATOM 1572 O LYS A 476 -2.621 6.384 18.039 1.00 30.08 O ATOM 1573 CB LYS A 476 -4.987 4.210 18.580 1.00 33.29 C ATOM 1574 CG LYS A 476 -5.264 4.283 17.095 1.00 38.99 C ATOM 1575 CD LYS A 476 -6.734 4.149 16.771 1.00 45.64 C ATOM 1576 CE LYS A 476 -6.972 4.441 15.290 1.00 53.79 C ATOM 1577 NZ LYS A 476 -8.415 4.398 14.925 1.00 59.06 N ATOM 1578 HA LYS A 476 -2.933 3.876 18.086 1.00 0.00 H ATOM 1579 HB2 LYS A 476 -5.362 3.259 18.959 1.00 0.00 H ATOM 1580 HB3 LYS A 476 -5.512 5.028 19.074 1.00 0.00 H ATOM 1581 HG2 LYS A 476 -4.910 5.243 16.720 1.00 0.00 H ATOM 1582 HG3 LYS A 476 -4.722 3.478 16.598 1.00 0.00 H ATOM 1583 HD2 LYS A 476 -7.063 3.134 16.996 1.00 0.00 H ATOM 1584 HD3 LYS A 476 -7.303 4.856 17.375 1.00 0.00 H ATOM 1585 HE2 LYS A 476 -6.439 3.698 14.697 1.00 0.00 H ATOM 1586 HE3 LYS A 476 -6.583 5.433 15.062 1.00 0.00 H ATOM 1587 HZ1 LYS A 476 -8.795 3.452 15.131 1.00 0.00 H ATOM 1588 HZ2 LYS A 476 -8.933 5.109 15.479 1.00 0.00 H ATOM 1589 HZ3 LYS A 476 -8.521 4.603 13.911 1.00 0.00 H ATOM 1590 H LYS A 476 -3.923 3.213 20.729 1.00 0.00 H ATOM 1591 N THR A 477 -3.213 6.366 20.221 1.00 25.27 N ATOM 1592 CA THR A 477 -2.772 7.749 20.423 1.00 21.73 C ATOM 1593 C THR A 477 -1.272 7.899 20.198 1.00 25.64 C ATOM 1594 O THR A 477 -0.811 8.947 19.745 1.00 22.07 O ATOM 1595 CB THR A 477 -3.133 8.338 21.813 1.00 26.36 C ATOM 1596 OG1 THR A 477 -2.565 7.533 22.862 1.00 25.98 O ATOM 1597 CG2 THR A 477 -4.663 8.431 21.991 1.00 27.48 C ATOM 1598 HA THR A 477 -3.324 8.319 19.676 1.00 0.00 H ATOM 1599 HB THR A 477 -2.716 9.343 21.872 1.00 0.00 H ATOM 1600 HG1 THR A 477 -2.922 6.612 22.799 1.00 0.00 H ATOM 1601 HG23 THR A 477 -5.084 9.042 21.193 1.00 0.00 H ATOM 1602 HG21 THR A 477 -5.094 7.431 21.950 1.00 0.00 H ATOM 1603 HG22 THR A 477 -4.888 8.886 22.956 1.00 0.00 H ATOM 1604 H THR A 477 -3.635 5.836 21.010 1.00 0.00 H ATOM 1605 N GLU A 478 -0.513 6.860 20.523 1.00 20.22 N ATOM 1606 CA GLU A 478 0.941 6.926 20.367 1.00 23.23 C ATOM 1607 C GLU A 478 1.311 6.964 18.892 1.00 25.46 C ATOM 1608 O GLU A 478 2.189 7.718 18.494 1.00 24.32 O ATOM 1609 CB GLU A 478 1.601 5.727 21.046 1.00 23.18 C ATOM 1610 CG GLU A 478 1.383 5.689 22.565 1.00 22.07 C ATOM 1611 CD GLU A 478 2.382 6.521 23.346 1.00 21.20 C ATOM 1612 OE1 GLU A 478 2.337 6.453 24.590 1.00 23.85 O ATOM 1613 OE2 GLU A 478 3.236 7.208 22.745 1.00 22.11 O ATOM 1614 HA GLU A 478 1.302 7.839 20.842 1.00 0.00 H ATOM 1615 HB2 GLU A 478 1.188 4.815 20.615 1.00 0.00 H ATOM 1616 HB3 GLU A 478 2.673 5.766 20.852 1.00 0.00 H ATOM 1617 HG2 GLU A 478 0.382 6.063 22.779 1.00 0.00 H ATOM 1618 HG3 GLU A 478 1.462 4.654 22.898 1.00 0.00 H ATOM 1619 H GLU A 478 -0.954 5.993 20.891 1.00 0.00 H ATOM 1620 N LEU A 479 0.655 6.122 18.095 1.00 21.56 N ATOM 1621 CA LEU A 479 0.824 6.157 16.649 1.00 22.15 C ATOM 1622 C LEU A 479 0.335 7.465 16.052 1.00 23.90 C ATOM 1623 O LEU A 479 0.970 8.019 15.165 1.00 21.14 O ATOM 1624 CB LEU A 479 0.097 4.978 15.987 1.00 23.64 C ATOM 1625 CG LEU A 479 0.635 3.577 16.278 1.00 21.88 C ATOM 1626 CD1 LEU A 479 -0.339 2.537 15.712 1.00 24.25 C ATOM 1627 CD2 LEU A 479 2.020 3.424 15.644 1.00 26.28 C ATOM 1628 HA LEU A 479 1.893 6.076 16.451 1.00 0.00 H ATOM 1629 HB2 LEU A 479 -0.942 5.006 16.316 1.00 0.00 H ATOM 1630 HB3 LEU A 479 0.140 5.129 14.908 1.00 0.00 H ATOM 1631 HG LEU A 479 0.726 3.424 17.353 1.00 0.00 H ATOM 1632 HD21 LEU A 479 1.943 3.569 14.566 1.00 0.00 H ATOM 1633 HD22 LEU A 479 2.695 4.169 16.065 1.00 0.00 H ATOM 1634 HD23 LEU A 479 2.405 2.425 15.851 1.00 0.00 H ATOM 1635 HD11 LEU A 479 -1.314 2.661 16.183 1.00 0.00 H ATOM 1636 HD12 LEU A 479 -0.433 2.678 14.635 1.00 0.00 H ATOM 1637 HD13 LEU A 479 0.041 1.536 15.917 1.00 0.00 H ATOM 1638 H LEU A 479 0.008 5.424 18.515 1.00 0.00 H ATOM 1639 N GLN A 480 -0.797 7.964 16.523 1.00 22.21 N ATOM 1640 CA GLN A 480 -1.279 9.246 16.037 1.00 22.95 C ATOM 1641 C GLN A 480 -0.318 10.409 16.326 1.00 20.98 C ATOM 1642 O GLN A 480 -0.174 11.323 15.503 1.00 24.92 O ATOM 1643 CB GLN A 480 -2.690 9.501 16.570 1.00 25.74 C ATOM 1644 CG GLN A 480 -3.597 8.312 16.189 1.00 31.36 C ATOM 1645 CD GLN A 480 -4.976 8.352 16.801 1.00 43.78 C ATOM 1646 OE1 GLN A 480 -5.984 8.298 16.092 1.00 49.51 O ATOM 1647 NE2 GLN A 480 -5.033 8.409 18.125 1.00 43.36 N ATOM 1648 HA GLN A 480 -1.323 9.194 14.949 1.00 0.00 H ATOM 1649 HB2 GLN A 480 -2.658 9.603 17.655 1.00 0.00 H ATOM 1650 HB3 GLN A 480 -3.086 10.417 16.132 1.00 0.00 H ATOM 1651 HG2 GLN A 480 -3.706 8.301 15.105 1.00 0.00 H ATOM 1652 HG3 GLN A 480 -3.108 7.393 16.513 1.00 0.00 H ATOM 1653 HE22 GLN A 480 -4.156 8.453 18.682 1.00 0.00 H ATOM 1654 HE21 GLN A 480 -5.955 8.409 18.606 1.00 0.00 H ATOM 1655 H GLN A 480 -1.340 7.440 17.239 1.00 0.00 H ATOM 1656 N ALA A 481 0.353 10.354 17.472 1.00 19.73 N ATOM 1657 CA ALA A 481 1.349 11.363 17.807 1.00 19.47 C ATOM 1658 C ALA A 481 2.535 11.334 16.847 1.00 21.00 C ATOM 1659 O ALA A 481 3.054 12.384 16.445 1.00 19.66 O ATOM 1660 CB ALA A 481 1.816 11.175 19.265 1.00 19.64 C ATOM 1661 HA ALA A 481 0.883 12.343 17.706 1.00 0.00 H ATOM 1662 HB1 ALA A 481 0.962 11.276 19.935 1.00 0.00 H ATOM 1663 HB2 ALA A 481 2.255 10.184 19.380 1.00 0.00 H ATOM 1664 HB3 ALA A 481 2.561 11.933 19.507 1.00 0.00 H ATOM 1665 H ALA A 481 0.164 9.579 18.139 1.00 0.00 H ATOM 1666 N ILE A 482 2.977 10.136 16.483 1.00 20.94 N ATOM 1667 CA ILE A 482 4.086 9.995 15.543 1.00 20.45 C ATOM 1668 C ILE A 482 3.678 10.508 14.174 1.00 23.73 C ATOM 1669 O ILE A 482 4.458 11.177 13.491 1.00 21.89 O ATOM 1670 CB ILE A 482 4.577 8.545 15.493 1.00 21.75 C ATOM 1671 CG1 ILE A 482 5.324 8.248 16.789 1.00 21.35 C ATOM 1672 CG2 ILE A 482 5.494 8.320 14.307 1.00 22.25 C ATOM 1673 CD1 ILE A 482 5.571 6.748 17.051 1.00 25.84 C ATOM 1674 HA ILE A 482 4.924 10.601 15.888 1.00 0.00 H ATOM 1675 HB ILE A 482 3.722 7.878 15.382 1.00 0.00 H ATOM 1676 HG12 ILE A 482 6.290 8.751 16.749 1.00 0.00 H ATOM 1677 HG13 ILE A 482 4.741 8.648 17.619 1.00 0.00 H ATOM 1678 HD11 ILE A 482 4.615 6.228 17.107 1.00 0.00 H ATOM 1679 HD12 ILE A 482 6.165 6.331 16.238 1.00 0.00 H ATOM 1680 HD13 ILE A 482 6.107 6.628 17.992 1.00 0.00 H ATOM 1681 HG21 ILE A 482 4.954 8.538 13.385 1.00 0.00 H ATOM 1682 HG22 ILE A 482 6.359 8.979 14.388 1.00 0.00 H ATOM 1683 HG23 ILE A 482 5.826 7.282 14.298 1.00 0.00 H ATOM 1684 H ILE A 482 2.526 9.284 16.874 1.00 0.00 H ATOM 1685 N TYR A 483 2.433 10.232 13.794 1.00 22.34 N ATOM 1686 CA TYR A 483 1.884 10.769 12.554 1.00 24.73 C ATOM 1687 C TYR A 483 1.966 12.303 12.556 1.00 22.71 C ATOM 1688 O TYR A 483 2.440 12.892 11.596 1.00 22.97 O ATOM 1689 CB TYR A 483 0.439 10.284 12.330 1.00 25.68 C ATOM 1690 CG TYR A 483 -0.129 10.701 10.993 1.00 26.40 C ATOM 1691 CD1 TYR A 483 -0.816 11.888 10.853 1.00 28.99 C ATOM 1692 CD2 TYR A 483 0.024 9.894 9.881 1.00 32.40 C ATOM 1693 CE1 TYR A 483 -1.328 12.274 9.618 1.00 32.52 C ATOM 1694 CE2 TYR A 483 -0.483 10.263 8.653 1.00 36.06 C ATOM 1695 CZ TYR A 483 -1.158 11.448 8.530 1.00 31.45 C ATOM 1696 OH TYR A 483 -1.662 11.812 7.299 1.00 34.41 O ATOM 1697 HA TYR A 483 2.483 10.397 11.722 1.00 0.00 H ATOM 1698 HB3 TYR A 483 -0.191 10.696 13.118 1.00 0.00 H ATOM 1699 HB2 TYR A 483 0.426 9.196 12.388 1.00 0.00 H ATOM 1700 HD2 TYR A 483 0.556 8.947 9.977 1.00 0.00 H ATOM 1701 HE2 TYR A 483 -0.347 9.616 7.786 1.00 0.00 H ATOM 1702 HE1 TYR A 483 -1.858 13.221 9.513 1.00 0.00 H ATOM 1703 HD1 TYR A 483 -0.960 12.532 11.720 1.00 0.00 H ATOM 1704 HH TYR A 483 -2.119 12.687 7.376 1.00 0.00 H ATOM 1705 H TYR A 483 1.840 9.622 14.392 1.00 0.00 H ATOM 1706 N LEU A 484 1.524 12.944 13.638 1.00 18.96 N ATOM 1707 CA LEU A 484 1.562 14.393 13.734 1.00 20.85 C ATOM 1708 C LEU A 484 2.986 14.928 13.601 1.00 21.84 C ATOM 1709 O LEU A 484 3.215 15.944 12.924 1.00 19.76 O ATOM 1710 CB LEU A 484 0.991 14.872 15.069 1.00 22.69 C ATOM 1711 CG LEU A 484 -0.511 14.784 15.333 1.00 30.77 C ATOM 1712 CD1 LEU A 484 -0.823 15.331 16.739 1.00 32.45 C ATOM 1713 CD2 LEU A 484 -1.262 15.556 14.262 1.00 32.01 C ATOM 1714 HA LEU A 484 0.954 14.774 12.913 1.00 0.00 H ATOM 1715 HB2 LEU A 484 1.482 14.290 15.849 1.00 0.00 H ATOM 1716 HB3 LEU A 484 1.268 15.921 15.172 1.00 0.00 H ATOM 1717 HG LEU A 484 -0.834 13.744 15.294 1.00 0.00 H ATOM 1718 HD21 LEU A 484 -0.950 16.600 14.283 1.00 0.00 H ATOM 1719 HD22 LEU A 484 -1.040 15.128 13.284 1.00 0.00 H ATOM 1720 HD23 LEU A 484 -2.333 15.491 14.453 1.00 0.00 H ATOM 1721 HD11 LEU A 484 -0.289 14.741 17.484 1.00 0.00 H ATOM 1722 HD12 LEU A 484 -0.504 16.372 16.802 1.00 0.00 H ATOM 1723 HD13 LEU A 484 -1.895 15.266 16.923 1.00 0.00 H ATOM 1724 H LEU A 484 1.142 12.393 14.433 1.00 0.00 H ATOM 1725 N ALA A 485 3.929 14.278 14.286 1.00 20.87 N ATOM 1726 CA ALA A 485 5.336 14.683 14.199 1.00 19.88 C ATOM 1727 C ALA A 485 5.869 14.584 12.762 1.00 19.58 C ATOM 1728 O ALA A 485 6.587 15.465 12.316 1.00 19.48 O ATOM 1729 CB ALA A 485 6.201 13.849 15.150 1.00 20.07 C ATOM 1730 HA ALA A 485 5.392 15.729 14.501 1.00 0.00 H ATOM 1731 HB1 ALA A 485 5.856 13.993 16.174 1.00 0.00 H ATOM 1732 HB2 ALA A 485 6.120 12.795 14.883 1.00 0.00 H ATOM 1733 HB3 ALA A 485 7.240 14.168 15.068 1.00 0.00 H ATOM 1734 H ALA A 485 3.663 13.474 14.889 1.00 0.00 H ATOM 1735 N LEU A 486 5.570 13.489 12.060 1.00 18.50 N ATOM 1736 CA LEU A 486 5.941 13.358 10.648 1.00 18.91 C ATOM 1737 C LEU A 486 5.283 14.425 9.760 1.00 20.24 C ATOM 1738 O LEU A 486 5.915 15.007 8.866 1.00 21.16 O ATOM 1739 CB LEU A 486 5.584 11.961 10.155 1.00 16.25 C ATOM 1740 CG LEU A 486 6.430 10.910 10.869 1.00 18.21 C ATOM 1741 CD1 LEU A 486 5.860 9.525 10.575 1.00 21.36 C ATOM 1742 CD2 LEU A 486 7.872 11.014 10.390 1.00 22.51 C ATOM 1743 HA LEU A 486 7.017 13.514 10.575 1.00 0.00 H ATOM 1744 HB2 LEU A 486 4.530 11.769 10.354 1.00 0.00 H ATOM 1745 HB3 LEU A 486 5.767 11.901 9.082 1.00 0.00 H ATOM 1746 HG LEU A 486 6.409 11.076 11.946 1.00 0.00 H ATOM 1747 HD21 LEU A 486 7.909 10.844 9.314 1.00 0.00 H ATOM 1748 HD22 LEU A 486 8.258 12.008 10.615 1.00 0.00 H ATOM 1749 HD23 LEU A 486 8.478 10.264 10.899 1.00 0.00 H ATOM 1750 HD11 LEU A 486 4.832 9.473 10.933 1.00 0.00 H ATOM 1751 HD12 LEU A 486 5.882 9.345 9.500 1.00 0.00 H ATOM 1752 HD13 LEU A 486 6.461 8.771 11.083 1.00 0.00 H ATOM 1753 H LEU A 486 5.062 12.710 12.526 1.00 0.00 H ATOM 1754 N GLN A 487 4.011 14.696 10.022 1.00 19.50 N ATOM 1755 CA GLN A 487 3.275 15.677 9.245 1.00 19.90 C ATOM 1756 C GLN A 487 3.838 17.096 9.383 1.00 20.85 C ATOM 1757 O GLN A 487 3.899 17.842 8.397 1.00 21.20 O ATOM 1758 CB GLN A 487 1.803 15.630 9.651 1.00 22.48 C ATOM 1759 CG GLN A 487 0.972 16.784 9.166 1.00 27.23 C ATOM 1760 CD GLN A 487 -0.418 16.771 9.778 1.00 32.97 C ATOM 1761 OE1 GLN A 487 -1.265 15.957 9.399 1.00 38.32 O ATOM 1762 NE2 GLN A 487 -0.649 17.654 10.755 1.00 33.39 N ATOM 1763 HA GLN A 487 3.381 15.418 8.192 1.00 0.00 H ATOM 1764 HB2 GLN A 487 1.372 14.712 9.253 1.00 0.00 H ATOM 1765 HB3 GLN A 487 1.753 15.611 10.740 1.00 0.00 H ATOM 1766 HG2 GLN A 487 1.469 17.716 9.436 1.00 0.00 H ATOM 1767 HG3 GLN A 487 0.881 16.723 8.081 1.00 0.00 H ATOM 1768 HE22 GLN A 487 0.096 18.321 11.040 1.00 0.00 H ATOM 1769 HE21 GLN A 487 -1.574 17.674 11.230 1.00 0.00 H ATOM 1770 H GLN A 487 3.532 14.196 10.798 1.00 0.00 H ATOM 1771 N ASP A 488 4.258 17.460 10.595 1.00 19.95 N ATOM 1772 CA ASP A 488 4.642 18.833 10.897 1.00 18.26 C ATOM 1773 C ASP A 488 6.129 19.122 10.797 1.00 21.59 C ATOM 1774 O ASP A 488 6.554 20.276 10.841 1.00 25.77 O ATOM 1775 CB ASP A 488 4.139 19.220 12.276 1.00 23.11 C ATOM 1776 CG ASP A 488 2.627 19.353 12.317 1.00 28.89 C ATOM 1777 OD1 ASP A 488 1.990 19.184 11.252 1.00 24.80 O ATOM 1778 OD2 ASP A 488 2.092 19.644 13.396 1.00 29.38 O ATOM 1779 HA ASP A 488 4.173 19.439 10.122 1.00 0.00 H ATOM 1780 HB2 ASP A 488 4.444 18.454 12.989 1.00 0.00 H ATOM 1781 HB3 ASP A 488 4.584 20.175 12.557 1.00 0.00 H ATOM 1782 H ASP A 488 4.313 16.743 11.347 1.00 0.00 H ATOM 1783 N SER A 489 6.923 18.079 10.652 1.00 20.05 N ATOM 1784 CA SER A 489 8.363 18.261 10.607 1.00 23.06 C ATOM 1785 C SER A 489 8.876 18.459 9.188 1.00 23.78 C ATOM 1786 O SER A 489 8.188 18.161 8.198 1.00 19.04 O ATOM 1787 CB SER A 489 9.057 17.041 11.218 1.00 18.48 C ATOM 1788 OG SER A 489 8.625 15.844 10.573 1.00 19.80 O ATOM 1789 HA SER A 489 8.592 19.161 11.178 1.00 0.00 H ATOM 1790 HB2 SER A 489 8.815 16.984 12.279 1.00 0.00 H ATOM 1791 HB3 SER A 489 10.135 17.144 11.098 1.00 0.00 H ATOM 1792 HG SER A 489 7.646 15.746 10.683 1.00 0.00 H ATOM 1793 H SER A 489 6.517 17.125 10.570 1.00 0.00 H ATOM 1794 N GLY A 490 10.114 18.936 9.091 1.00 20.08 N ATOM 1795 CA GLY A 490 10.777 19.039 7.802 1.00 22.12 C ATOM 1796 C GLY A 490 11.294 17.686 7.323 1.00 25.17 C ATOM 1797 O GLY A 490 11.030 16.644 7.924 1.00 23.80 O ATOM 1798 HA3 GLY A 490 11.618 19.727 7.891 1.00 0.00 H ATOM 1799 HA2 GLY A 490 10.068 19.426 7.070 1.00 0.00 H ATOM 1800 H GLY A 490 10.615 19.240 9.950 1.00 0.00 H ATOM 1801 N LEU A 491 12.037 17.702 6.224 1.00 22.80 N ATOM 1802 CA LEU A 491 12.515 16.463 5.609 1.00 19.95 C ATOM 1803 C LEU A 491 13.472 15.609 6.454 1.00 22.23 C ATOM 1804 O LEU A 491 13.608 14.415 6.205 1.00 22.23 O ATOM 1805 CB LEU A 491 13.145 16.768 4.258 1.00 18.90 C ATOM 1806 CG LEU A 491 12.127 17.210 3.211 1.00 25.77 C ATOM 1807 CD1 LEU A 491 12.844 17.829 2.033 1.00 24.46 C ATOM 1808 CD2 LEU A 491 11.261 16.027 2.757 1.00 27.15 C ATOM 1809 HA LEU A 491 11.622 15.846 5.505 1.00 0.00 H ATOM 1810 HB2 LEU A 491 13.878 17.564 4.388 1.00 0.00 H ATOM 1811 HB3 LEU A 491 13.646 15.870 3.898 1.00 0.00 H ATOM 1812 HG LEU A 491 11.467 17.955 3.656 1.00 0.00 H ATOM 1813 HD21 LEU A 491 11.899 15.257 2.324 1.00 0.00 H ATOM 1814 HD22 LEU A 491 10.728 15.618 3.615 1.00 0.00 H ATOM 1815 HD23 LEU A 491 10.544 16.369 2.011 1.00 0.00 H ATOM 1816 HD11 LEU A 491 13.415 18.694 2.370 1.00 0.00 H ATOM 1817 HD12 LEU A 491 13.520 17.095 1.594 1.00 0.00 H ATOM 1818 HD13 LEU A 491 12.113 18.143 1.288 1.00 0.00 H ATOM 1819 H LEU A 491 12.285 18.614 5.790 1.00 0.00 H ATOM 1820 N GLU A 492 14.155 16.221 7.419 1.00 21.10 N ATOM 1821 CA GLU A 492 14.949 15.460 8.382 1.00 23.77 C ATOM 1822 C GLU A 492 14.370 15.667 9.774 1.00 24.32 C ATOM 1823 O GLU A 492 14.076 16.788 10.156 1.00 21.79 O ATOM 1824 CB GLU A 492 16.417 15.901 8.347 1.00 24.63 C ATOM 1825 CG GLU A 492 17.083 15.594 7.021 1.00 26.04 C ATOM 1826 CD GLU A 492 18.561 15.961 6.972 1.00 35.28 C ATOM 1827 OE1 GLU A 492 19.111 16.405 7.989 1.00 39.91 O ATOM 1828 OE2 GLU A 492 19.171 15.808 5.899 1.00 43.70 O ATOM 1829 HA GLU A 492 14.911 14.402 8.121 1.00 0.00 H ATOM 1830 HB2 GLU A 492 16.464 16.976 8.522 1.00 0.00 H ATOM 1831 HB3 GLU A 492 16.957 15.382 9.139 1.00 0.00 H ATOM 1832 HG2 GLU A 492 16.988 14.525 6.828 1.00 0.00 H ATOM 1833 HG3 GLU A 492 16.565 16.150 6.240 1.00 0.00 H ATOM 1834 H GLU A 492 14.123 17.258 7.489 1.00 0.00 H ATOM 1835 N VAL A 493 14.183 14.591 10.529 1.00 20.73 N ATOM 1836 CA VAL A 493 13.508 14.721 11.813 1.00 21.12 C ATOM 1837 C VAL A 493 13.935 13.628 12.783 1.00 19.66 C ATOM 1838 O VAL A 493 14.164 12.483 12.387 1.00 21.00 O ATOM 1839 CB VAL A 493 11.949 14.741 11.639 1.00 18.74 C ATOM 1840 CG1 VAL A 493 11.443 13.428 11.006 1.00 19.88 C ATOM 1841 CG2 VAL A 493 11.261 15.062 12.973 1.00 20.91 C ATOM 1842 HA VAL A 493 13.809 15.677 12.241 1.00 0.00 H ATOM 1843 HB VAL A 493 11.684 15.538 10.945 1.00 0.00 H ATOM 1844 HG11 VAL A 493 11.902 13.298 10.026 1.00 0.00 H ATOM 1845 HG12 VAL A 493 11.712 12.589 11.648 1.00 0.00 H ATOM 1846 HG13 VAL A 493 10.359 13.472 10.898 1.00 0.00 H ATOM 1847 HG21 VAL A 493 11.525 14.302 13.709 1.00 0.00 H ATOM 1848 HG22 VAL A 493 11.590 16.040 13.324 1.00 0.00 H ATOM 1849 HG23 VAL A 493 10.180 15.071 12.830 1.00 0.00 H ATOM 1850 H VAL A 493 14.517 13.661 10.205 1.00 0.00 H ATOM 1851 N ASN A 494 14.080 14.009 14.049 1.00 18.37 N ATOM 1852 CA ASN A 494 14.317 13.077 15.136 1.00 19.77 C ATOM 1853 C ASN A 494 13.008 12.932 15.886 1.00 20.41 C ATOM 1854 O ASN A 494 12.381 13.929 16.220 1.00 21.45 O ATOM 1855 CB ASN A 494 15.350 13.668 16.094 1.00 21.63 C ATOM 1856 CG ASN A 494 16.684 13.941 15.425 1.00 23.78 C ATOM 1857 OD1 ASN A 494 17.202 15.059 15.471 1.00 27.73 O ATOM 1858 ND2 ASN A 494 17.243 12.929 14.804 1.00 19.80 N ATOM 1859 HA ASN A 494 14.676 12.121 14.754 1.00 0.00 H ATOM 1860 HB2 ASN A 494 14.961 14.606 16.491 1.00 0.00 H ATOM 1861 HB3 ASN A 494 15.508 12.966 16.913 1.00 0.00 H ATOM 1862 HD22 ASN A 494 16.771 12.002 14.790 1.00 0.00 H ATOM 1863 HD21 ASN A 494 18.158 13.054 14.326 1.00 0.00 H ATOM 1864 H ASN A 494 14.021 15.023 14.271 1.00 0.00 H ATOM 1865 N ILE A 495 12.592 11.701 16.156 1.00 20.40 N ATOM 1866 CA ILE A 495 11.360 11.488 16.903 1.00 19.36 C ATOM 1867 C ILE A 495 11.629 10.576 18.076 1.00 21.00 C ATOM 1868 O ILE A 495 12.224 9.515 17.912 1.00 19.72 O ATOM 1869 CB ILE A 495 10.251 10.898 15.990 1.00 22.19 C ATOM 1870 CG1 ILE A 495 10.005 11.843 14.806 1.00 23.39 C ATOM 1871 CG2 ILE A 495 8.971 10.648 16.786 1.00 22.47 C ATOM 1872 CD1 ILE A 495 9.141 11.254 13.708 1.00 25.10 C ATOM 1873 HA ILE A 495 11.004 12.449 17.275 1.00 0.00 H ATOM 1874 HB ILE A 495 10.580 9.935 15.599 1.00 0.00 H ATOM 1875 HG12 ILE A 495 9.515 12.741 15.182 1.00 0.00 H ATOM 1876 HG13 ILE A 495 10.970 12.110 14.375 1.00 0.00 H ATOM 1877 HD11 ILE A 495 9.621 10.360 13.310 1.00 0.00 H ATOM 1878 HD12 ILE A 495 8.165 10.992 14.117 1.00 0.00 H ATOM 1879 HD13 ILE A 495 9.018 11.988 12.911 1.00 0.00 H ATOM 1880 HG21 ILE A 495 9.177 9.943 17.591 1.00 0.00 H ATOM 1881 HG22 ILE A 495 8.617 11.589 17.207 1.00 0.00 H ATOM 1882 HG23 ILE A 495 8.209 10.235 16.125 1.00 0.00 H ATOM 1883 H ILE A 495 13.149 10.884 15.832 1.00 0.00 H ATOM 1884 N VAL A 496 11.228 11.016 19.262 1.00 20.78 N ATOM 1885 CA VAL A 496 11.502 10.284 20.503 1.00 20.78 C ATOM 1886 C VAL A 496 10.198 9.885 21.144 1.00 20.45 C ATOM 1887 O VAL A 496 9.413 10.749 21.542 1.00 20.54 O ATOM 1888 CB VAL A 496 12.253 11.155 21.492 1.00 21.39 C ATOM 1889 CG1 VAL A 496 12.530 10.365 22.797 1.00 22.61 C ATOM 1890 CG2 VAL A 496 13.539 11.666 20.855 1.00 22.07 C ATOM 1891 HA VAL A 496 12.104 9.410 20.253 1.00 0.00 H ATOM 1892 HB VAL A 496 11.644 12.019 21.756 1.00 0.00 H ATOM 1893 HG11 VAL A 496 11.584 10.055 23.240 1.00 0.00 H ATOM 1894 HG12 VAL A 496 13.131 9.485 22.567 1.00 0.00 H ATOM 1895 HG13 VAL A 496 13.070 11.002 23.498 1.00 0.00 H ATOM 1896 HG21 VAL A 496 14.164 10.819 20.572 1.00 0.00 H ATOM 1897 HG22 VAL A 496 13.296 12.252 19.969 1.00 0.00 H ATOM 1898 HG23 VAL A 496 14.074 12.291 21.570 1.00 0.00 H ATOM 1899 H VAL A 496 10.701 11.911 19.313 1.00 0.00 H ATOM 1900 N THR A 497 9.972 8.574 21.192 1.00 20.84 N ATOM 1901 CA THR A 497 8.756 7.999 21.749 1.00 19.81 C ATOM 1902 C THR A 497 9.085 7.225 23.014 1.00 22.56 C ATOM 1903 O THR A 497 10.212 6.771 23.181 1.00 21.86 O ATOM 1904 CB THR A 497 8.091 7.060 20.725 1.00 22.30 C ATOM 1905 OG1 THR A 497 6.853 6.576 21.258 1.00 24.12 O ATOM 1906 CG2 THR A 497 9.003 5.853 20.433 1.00 23.54 C ATOM 1907 HA THR A 497 8.064 8.807 21.988 1.00 0.00 H ATOM 1908 HB THR A 497 7.918 7.616 19.804 1.00 0.00 H ATOM 1909 HG1 THR A 497 6.253 7.341 21.444 1.00 0.00 H ATOM 1910 HG23 THR A 497 9.951 6.205 20.026 1.00 0.00 H ATOM 1911 HG21 THR A 497 9.184 5.304 21.357 1.00 0.00 H ATOM 1912 HG22 THR A 497 8.517 5.198 19.710 1.00 0.00 H ATOM 1913 H THR A 497 10.697 7.931 20.814 1.00 0.00 H ATOM 1914 N ASP A 498 8.112 7.079 23.909 1.00 20.02 N ATOM 1915 CA ASP A 498 8.277 6.185 25.068 1.00 19.87 C ATOM 1916 C ASP A 498 7.427 4.906 24.945 1.00 22.21 C ATOM 1917 O ASP A 498 7.386 4.066 25.858 1.00 22.91 O ATOM 1918 CB ASP A 498 8.065 6.914 26.405 1.00 20.47 C ATOM 1919 CG ASP A 498 6.653 7.433 26.588 1.00 21.17 C ATOM 1920 OD1 ASP A 498 6.459 8.352 27.396 1.00 25.66 O ATOM 1921 OD2 ASP A 498 5.741 6.898 25.956 1.00 20.74 O ATOM 1922 HA ASP A 498 9.317 5.859 25.064 1.00 0.00 H ATOM 1923 HB2 ASP A 498 8.287 6.221 27.216 1.00 0.00 H ATOM 1924 HB3 ASP A 498 8.753 7.758 26.452 1.00 0.00 H ATOM 1925 H ASP A 498 7.222 7.604 23.789 1.00 0.00 H ATOM 1926 N SER A 499 6.791 4.756 23.789 1.00 23.25 N ATOM 1927 CA SER A 499 5.918 3.618 23.531 1.00 25.11 C ATOM 1928 C SER A 499 6.673 2.425 22.938 1.00 19.96 C ATOM 1929 O SER A 499 7.138 2.488 21.798 1.00 23.88 O ATOM 1930 CB SER A 499 4.792 4.023 22.572 1.00 25.22 C ATOM 1931 OG SER A 499 3.969 2.905 22.245 1.00 25.43 O ATOM 1932 HA SER A 499 5.506 3.312 24.493 1.00 0.00 H ATOM 1933 HB2 SER A 499 5.230 4.423 21.657 1.00 0.00 H ATOM 1934 HB3 SER A 499 4.179 4.790 23.046 1.00 0.00 H ATOM 1935 HG SER A 499 3.565 2.541 23.072 1.00 0.00 H ATOM 1936 H SER A 499 6.920 5.472 23.046 1.00 0.00 H ATOM 1937 N GLN A 500 6.763 1.340 23.707 1.00 23.89 N ATOM 1938 CA GLN A 500 7.304 0.080 23.203 1.00 21.89 C ATOM 1939 C GLN A 500 6.513 -0.370 21.972 1.00 19.31 C ATOM 1940 O GLN A 500 7.076 -0.832 20.985 1.00 20.27 O ATOM 1941 CB GLN A 500 7.229 -1.017 24.271 1.00 22.60 C ATOM 1942 CG GLN A 500 8.046 -0.763 25.534 1.00 26.61 C ATOM 1943 CD GLN A 500 8.172 -2.020 26.376 1.00 27.61 C ATOM 1944 OE1 GLN A 500 8.955 -2.918 26.049 1.00 26.44 O ATOM 1945 NE2 GLN A 500 7.382 -2.108 27.451 1.00 29.47 N ATOM 1946 HA GLN A 500 8.348 0.244 22.938 1.00 0.00 H ATOM 1947 HB2 GLN A 500 6.185 -1.130 24.563 1.00 0.00 H ATOM 1948 HB3 GLN A 500 7.582 -1.946 23.824 1.00 0.00 H ATOM 1949 HG2 GLN A 500 9.043 -0.425 25.250 1.00 0.00 H ATOM 1950 HG3 GLN A 500 7.556 0.011 26.124 1.00 0.00 H ATOM 1951 HE22 GLN A 500 6.738 -1.327 27.688 1.00 0.00 H ATOM 1952 HE21 GLN A 500 7.412 -2.958 28.050 1.00 0.00 H ATOM 1953 H GLN A 500 6.439 1.392 24.694 1.00 0.00 H ATOM 1954 N TYR A 501 5.189 -0.270 22.055 1.00 20.10 N ATOM 1955 CA TYR A 501 4.337 -0.731 20.970 1.00 20.20 C ATOM 1956 C TYR A 501 4.557 0.070 19.699 1.00 22.69 C ATOM 1957 O TYR A 501 4.759 -0.499 18.622 1.00 23.49 O ATOM 1958 CB TYR A 501 2.872 -0.618 21.376 1.00 23.08 C ATOM 1959 CG TYR A 501 1.937 -0.717 20.198 1.00 27.95 C ATOM 1960 CD1 TYR A 501 1.662 -1.945 19.597 1.00 31.69 C ATOM 1961 CD2 TYR A 501 1.324 0.415 19.684 1.00 24.34 C ATOM 1962 CE1 TYR A 501 0.809 -2.037 18.528 1.00 34.94 C ATOM 1963 CE2 TYR A 501 0.472 0.332 18.598 1.00 26.01 C ATOM 1964 CZ TYR A 501 0.214 -0.897 18.028 1.00 33.82 C ATOM 1965 OH TYR A 501 -0.639 -0.990 16.957 1.00 36.58 O ATOM 1966 HA TYR A 501 4.598 -1.771 20.772 1.00 0.00 H ATOM 1967 HB3 TYR A 501 2.718 0.344 21.865 1.00 0.00 H ATOM 1968 HB2 TYR A 501 2.640 -1.421 22.075 1.00 0.00 H ATOM 1969 HD2 TYR A 501 1.516 1.385 20.143 1.00 0.00 H ATOM 1970 HE2 TYR A 501 0.007 1.232 18.195 1.00 0.00 H ATOM 1971 HE1 TYR A 501 0.602 -3.006 18.075 1.00 0.00 H ATOM 1972 HD1 TYR A 501 2.134 -2.848 19.984 1.00 0.00 H ATOM 1973 HH TYR A 501 -0.711 -1.936 16.675 1.00 0.00 H ATOM 1974 H TYR A 501 4.758 0.143 22.906 1.00 0.00 H ATOM 1975 N ALA A 502 4.523 1.392 19.813 1.00 21.92 N ATOM 1976 CA ALA A 502 4.651 2.209 18.616 1.00 22.98 C ATOM 1977 C ALA A 502 5.986 1.939 17.921 1.00 24.50 C ATOM 1978 O ALA A 502 6.038 1.752 16.719 1.00 23.57 O ATOM 1979 CB ALA A 502 4.499 3.688 18.967 1.00 27.40 C ATOM 1980 HA ALA A 502 3.855 1.942 17.921 1.00 0.00 H ATOM 1981 HB1 ALA A 502 3.518 3.856 19.411 1.00 0.00 H ATOM 1982 HB2 ALA A 502 5.274 3.973 19.678 1.00 0.00 H ATOM 1983 HB3 ALA A 502 4.597 4.287 18.062 1.00 0.00 H ATOM 1984 H ALA A 502 4.406 1.838 20.745 1.00 0.00 H ATOM 1985 N LEU A 503 7.068 1.900 18.687 1.00 23.61 N ATOM 1986 CA LEU A 503 8.376 1.629 18.100 1.00 25.43 C ATOM 1987 C LEU A 503 8.470 0.215 17.541 1.00 29.51 C ATOM 1988 O LEU A 503 9.018 -0.001 16.458 1.00 26.48 O ATOM 1989 CB LEU A 503 9.486 1.840 19.127 1.00 29.17 C ATOM 1990 CG LEU A 503 10.879 1.453 18.633 1.00 40.18 C ATOM 1991 CD1 LEU A 503 11.429 2.543 17.732 1.00 42.36 C ATOM 1992 CD2 LEU A 503 11.814 1.198 19.811 1.00 46.20 C ATOM 1993 HA LEU A 503 8.501 2.332 17.276 1.00 0.00 H ATOM 1994 HB2 LEU A 503 9.501 2.895 19.402 1.00 0.00 H ATOM 1995 HB3 LEU A 503 9.256 1.240 20.007 1.00 0.00 H ATOM 1996 HG LEU A 503 10.806 0.530 18.057 1.00 0.00 H ATOM 1997 HD21 LEU A 503 11.891 2.102 20.414 1.00 0.00 H ATOM 1998 HD22 LEU A 503 11.416 0.386 20.420 1.00 0.00 H ATOM 1999 HD23 LEU A 503 12.801 0.924 19.437 1.00 0.00 H ATOM 2000 HD11 LEU A 503 10.767 2.674 16.876 1.00 0.00 H ATOM 2001 HD12 LEU A 503 11.492 3.477 18.290 1.00 0.00 H ATOM 2002 HD13 LEU A 503 12.422 2.259 17.385 1.00 0.00 H ATOM 2003 H LEU A 503 6.984 2.063 19.711 1.00 0.00 H ATOM 2004 N GLY A 504 7.942 -0.748 18.283 1.00 27.31 N ATOM 2005 CA GLY A 504 7.985 -2.125 17.833 1.00 25.63 C ATOM 2006 C GLY A 504 7.221 -2.330 16.543 1.00 27.96 C ATOM 2007 O GLY A 504 7.742 -2.904 15.579 1.00 30.21 O ATOM 2008 HA3 GLY A 504 7.549 -2.760 18.604 1.00 0.00 H ATOM 2009 HA2 GLY A 504 9.025 -2.410 17.674 1.00 0.00 H ATOM 2010 H GLY A 504 7.495 -0.514 19.192 1.00 0.00 H ATOM 2011 N ILE A 505 5.989 -1.835 16.499 1.00 27.79 N ATOM 2012 CA ILE A 505 5.146 -2.067 15.330 1.00 30.38 C ATOM 2013 C ILE A 505 5.682 -1.364 14.066 1.00 30.64 C ATOM 2014 O ILE A 505 5.644 -1.919 12.966 1.00 30.92 O ATOM 2015 CB ILE A 505 3.666 -1.693 15.627 1.00 31.93 C ATOM 2016 CG1 ILE A 505 2.707 -2.540 14.792 1.00 39.59 C ATOM 2017 CG2 ILE A 505 3.428 -0.214 15.372 1.00 34.33 C ATOM 2018 CD1 ILE A 505 2.792 -2.256 13.303 1.00 43.38 C ATOM 2019 HA ILE A 505 5.179 -3.135 15.115 1.00 0.00 H ATOM 2020 HB ILE A 505 3.471 -1.900 16.679 1.00 0.00 H ATOM 2021 HG12 ILE A 505 2.941 -3.592 14.957 1.00 0.00 H ATOM 2022 HG13 ILE A 505 1.689 -2.339 15.125 1.00 0.00 H ATOM 2023 HD11 ILE A 505 2.550 -1.209 13.120 1.00 0.00 H ATOM 2024 HD12 ILE A 505 3.803 -2.463 12.952 1.00 0.00 H ATOM 2025 HD13 ILE A 505 2.084 -2.893 12.772 1.00 0.00 H ATOM 2026 HG21 ILE A 505 4.079 0.374 16.019 1.00 0.00 H ATOM 2027 HG22 ILE A 505 3.648 0.014 14.329 1.00 0.00 H ATOM 2028 HG23 ILE A 505 2.387 0.027 15.586 1.00 0.00 H ATOM 2029 H ILE A 505 5.624 -1.281 17.300 1.00 0.00 H ATOM 2030 N ILE A 506 6.191 -0.146 14.211 1.00 27.24 N ATOM 2031 CA ILE A 506 6.782 0.580 13.084 1.00 29.80 C ATOM 2032 C ILE A 506 8.074 -0.077 12.601 1.00 35.88 C ATOM 2033 O ILE A 506 8.289 -0.259 11.401 1.00 30.46 O ATOM 2034 CB ILE A 506 7.055 2.060 13.441 1.00 27.10 C ATOM 2035 CG1 ILE A 506 5.740 2.830 13.548 1.00 25.00 C ATOM 2036 CG2 ILE A 506 7.961 2.711 12.412 1.00 27.04 C ATOM 2037 CD1 ILE A 506 5.915 4.242 14.133 1.00 26.95 C ATOM 2038 HA ILE A 506 6.051 0.543 12.276 1.00 0.00 H ATOM 2039 HB ILE A 506 7.562 2.087 14.406 1.00 0.00 H ATOM 2040 HG12 ILE A 506 5.307 2.918 12.552 1.00 0.00 H ATOM 2041 HG13 ILE A 506 5.060 2.270 14.190 1.00 0.00 H ATOM 2042 HD11 ILE A 506 6.339 4.169 15.135 1.00 0.00 H ATOM 2043 HD12 ILE A 506 6.585 4.818 13.495 1.00 0.00 H ATOM 2044 HD13 ILE A 506 4.945 4.736 14.183 1.00 0.00 H ATOM 2045 HG21 ILE A 506 8.911 2.178 12.378 1.00 0.00 H ATOM 2046 HG22 ILE A 506 7.485 2.670 11.432 1.00 0.00 H ATOM 2047 HG23 ILE A 506 8.135 3.751 12.689 1.00 0.00 H ATOM 2048 H ILE A 506 6.170 0.304 15.148 1.00 0.00 H ATOM 2049 N THR A 79 8.936 -0.431 13.547 1.00 31.75 N ATOM 2050 CA THR A 79 10.162 -1.164 13.239 1.00 32.71 C ATOM 2051 C THR A 79 9.857 -2.490 12.550 1.00 36.19 C ATOM 2052 O THR A 79 10.556 -2.891 11.614 1.00 41.17 O ATOM 2053 CB THR A 79 11.018 -1.406 14.517 1.00 41.52 C ATOM 2054 OG1 THR A 79 11.478 -0.147 15.025 1.00 42.63 O ATOM 2055 CG2 THR A 79 12.224 -2.267 14.192 1.00 48.94 C ATOM 2056 HA THR A 79 10.741 -0.545 12.553 1.00 0.00 H ATOM 2057 HB THR A 79 10.401 -1.914 15.258 1.00 0.00 H ATOM 2058 HG1 THR A 79 10.699 0.421 15.250 1.00 0.00 H ATOM 2059 HG23 THR A 79 11.888 -3.229 13.804 1.00 0.00 H ATOM 2060 HG21 THR A 79 12.836 -1.765 13.442 1.00 0.00 H ATOM 2061 HG22 THR A 79 12.811 -2.424 15.097 1.00 0.00 H ATOM 2062 H THR A 79 8.733 -0.179 14.535 1.00 0.00 H ATOM 2063 N GLN A 80 8.798 -3.163 12.987 1.00 34.96 N ATOM 2064 CA GLN A 80 8.433 -4.437 12.378 1.00 36.72 C ATOM 2065 C GLN A 80 8.054 -4.233 10.912 1.00 38.48 C ATOM 2066 O GLN A 80 7.857 -5.195 10.172 1.00 32.85 O ATOM 2067 CB GLN A 80 7.268 -5.087 13.106 1.00 35.51 C ATOM 2068 CG GLN A 80 7.080 -6.542 12.728 1.00 45.39 C ATOM 2069 CD GLN A 80 5.639 -6.984 12.783 1.00 57.35 C ATOM 2070 OE1 GLN A 80 4.728 -6.162 12.868 1.00 57.47 O ATOM 2071 NE2 GLN A 80 5.421 -8.296 12.728 1.00 65.58 N ATOM 2072 HA GLN A 80 9.300 -5.094 12.449 1.00 0.00 H ATOM 2073 HB2 GLN A 80 7.449 -5.026 14.179 1.00 0.00 H ATOM 2074 HB3 GLN A 80 6.356 -4.542 12.861 1.00 0.00 H ATOM 2075 HG2 GLN A 80 7.450 -6.688 11.713 1.00 0.00 H ATOM 2076 HG3 GLN A 80 7.659 -7.158 13.416 1.00 0.00 H ATOM 2077 HE22 GLN A 80 6.223 -8.954 12.656 1.00 0.00 H ATOM 2078 HE21 GLN A 80 4.448 -8.663 12.757 1.00 0.00 H ATOM 2079 H GLN A 80 8.227 -2.780 13.767 1.00 0.00 H ATOM 2080 N TRP A 81 7.961 -2.976 10.490 1.00 38.61 N ATOM 2081 CA TRP A 81 7.597 -2.658 9.105 1.00 32.40 C ATOM 2082 C TRP A 81 8.828 -2.412 8.244 1.00 31.07 C ATOM 2083 O TRP A 81 9.041 -3.075 7.221 1.00 35.43 O ATOM 2084 CB TRP A 81 6.699 -1.433 9.079 1.00 32.50 C ATOM 2085 CG TRP A 81 5.604 -1.469 8.052 1.00 40.38 C ATOM 2086 CD1 TRP A 81 4.276 -1.669 8.287 1.00 38.05 C ATOM 2087 CD2 TRP A 81 5.738 -1.275 6.634 1.00 39.73 C ATOM 2088 NE1 TRP A 81 3.573 -1.620 7.106 1.00 40.82 N ATOM 2089 CE2 TRP A 81 4.445 -1.381 6.075 1.00 39.52 C ATOM 2090 CE3 TRP A 81 6.823 -1.032 5.784 1.00 40.29 C ATOM 2091 CZ2 TRP A 81 4.206 -1.253 4.709 1.00 26.61 C ATOM 2092 CZ3 TRP A 81 6.583 -0.906 4.415 1.00 43.55 C ATOM 2093 CH2 TRP A 81 5.284 -1.011 3.896 1.00 36.70 C ATOM 2094 HA TRP A 81 7.065 -3.516 8.692 1.00 0.00 H ATOM 2095 HB2 TRP A 81 6.238 -1.331 10.061 1.00 0.00 H ATOM 2096 HB3 TRP A 81 7.322 -0.561 8.879 1.00 0.00 H ATOM 2097 HE1 TRP A 81 2.545 -1.744 7.010 1.00 0.00 H ATOM 2098 HD1 TRP A 81 3.835 -1.843 9.269 1.00 0.00 H ATOM 2099 HZ2 TRP A 81 3.199 -1.342 4.301 1.00 0.00 H ATOM 2100 HH2 TRP A 81 5.128 -0.898 2.823 1.00 0.00 H ATOM 2101 HZ3 TRP A 81 7.418 -0.723 3.739 1.00 0.00 H ATOM 2102 HE3 TRP A 81 7.834 -0.943 6.183 1.00 0.00 H ATOM 2103 H TRP A 81 8.151 -2.201 11.157 1.00 0.00 H ATOM 2104 N ILE A 82 9.658 -1.471 8.666 1.00 30.40 N ATOM 2105 CA ILE A 82 10.871 -1.161 7.921 1.00 36.23 C ATOM 2106 C ILE A 82 11.745 -2.407 7.683 1.00 42.49 C ATOM 2107 O ILE A 82 12.273 -2.604 6.591 1.00 39.55 O ATOM 2108 CB ILE A 82 11.671 -0.067 8.613 1.00 39.26 C ATOM 2109 CG1 ILE A 82 10.792 1.176 8.757 1.00 34.83 C ATOM 2110 CG2 ILE A 82 12.918 0.260 7.811 1.00 42.20 C ATOM 2111 CD1 ILE A 82 10.815 1.789 10.130 1.00 33.44 C ATOM 2112 HA ILE A 82 10.557 -0.796 6.943 1.00 0.00 H ATOM 2113 HB ILE A 82 11.981 -0.410 9.600 1.00 0.00 H ATOM 2114 HG12 ILE A 82 11.136 1.924 8.042 1.00 0.00 H ATOM 2115 HG13 ILE A 82 9.764 0.898 8.523 1.00 0.00 H ATOM 2116 HD11 ILE A 82 10.461 1.059 10.858 1.00 0.00 H ATOM 2117 HD12 ILE A 82 11.834 2.086 10.377 1.00 0.00 H ATOM 2118 HD13 ILE A 82 10.166 2.665 10.146 1.00 0.00 H ATOM 2119 HG21 ILE A 82 13.537 -0.633 7.723 1.00 0.00 H ATOM 2120 HG22 ILE A 82 12.630 0.603 6.817 1.00 0.00 H ATOM 2121 HG23 ILE A 82 13.480 1.044 8.319 1.00 0.00 H ATOM 2122 H ILE A 82 9.442 -0.948 9.538 1.00 0.00 H ATOM 2123 N HIS A 83 11.898 -3.248 8.699 1.00 42.77 N ATOM 2124 CA HIS A 83 12.673 -4.474 8.531 1.00 38.81 C ATOM 2125 C HIS A 83 11.946 -5.457 7.620 1.00 35.78 C ATOM 2126 O HIS A 83 12.572 -6.173 6.833 1.00 41.61 O ATOM 2127 CB HIS A 83 12.951 -5.130 9.880 1.00 43.46 C ATOM 2128 CG HIS A 83 13.745 -6.391 9.780 1.00 47.63 C ATOM 2129 ND1 HIS A 83 15.122 -6.401 9.709 1.00 50.20 N ATOM 2130 CD2 HIS A 83 13.356 -7.688 9.733 1.00 47.26 C ATOM 2131 CE1 HIS A 83 15.546 -7.649 9.637 1.00 48.74 C ATOM 2132 NE2 HIS A 83 14.495 -8.450 9.646 1.00 47.79 N ATOM 2133 HA HIS A 83 13.622 -4.204 8.069 1.00 0.00 H ATOM 2134 HB2 HIS A 83 13.503 -4.423 10.500 1.00 0.00 H ATOM 2135 HB3 HIS A 83 11.997 -5.360 10.355 1.00 0.00 H ATOM 2136 HD2 HIS A 83 12.331 -8.057 9.759 1.00 0.00 H ATOM 2137 HE1 HIS A 83 16.587 -7.965 9.580 1.00 0.00 H ATOM 2138 H HIS A 83 11.464 -3.032 9.619 1.00 0.00 H ATOM 2139 N ASN A 84 10.623 -5.493 7.731 1.00 25.43 N ATOM 2140 CA ASN A 84 9.800 -6.373 6.916 1.00 24.48 C ATOM 2141 C ASN A 84 10.049 -6.121 5.441 1.00 40.86 C ATOM 2142 O ASN A 84 10.346 -7.046 4.676 1.00 46.89 O ATOM 2143 CB ASN A 84 8.331 -6.121 7.284 1.00 34.52 C ATOM 2144 CG ASN A 84 7.354 -6.591 6.224 1.00 49.11 C ATOM 2145 OD1 ASN A 84 7.706 -6.774 5.054 1.00 57.78 O ATOM 2146 ND2 ASN A 84 6.098 -6.742 6.621 1.00 50.56 N ATOM 2147 HA ASN A 84 10.053 -7.416 7.108 1.00 0.00 H ATOM 2148 HB2 ASN A 84 8.112 -6.647 8.213 1.00 0.00 H ATOM 2149 HB3 ASN A 84 8.191 -5.050 7.433 1.00 0.00 H ATOM 2150 HD22 ASN A 84 5.844 -6.578 7.616 1.00 0.00 H ATOM 2151 HD21 ASN A 84 5.367 -7.025 5.937 1.00 0.00 H ATOM 2152 H ASN A 84 10.160 -4.871 8.424 1.00 0.00 H ATOM 2153 N TRP A 85 9.948 -4.878 4.993 1.00 35.88 N ATOM 2154 CA TRP A 85 10.271 -4.744 3.589 1.00 30.97 C ATOM 2155 C TRP A 85 11.716 -4.546 3.186 1.00 32.78 C ATOM 2156 O TRP A 85 12.018 -4.505 2.001 1.00 43.44 O ATOM 2157 CB TRP A 85 9.223 -4.049 2.726 1.00 45.09 C ATOM 2158 CG TRP A 85 8.533 -5.040 1.812 1.00 55.39 C ATOM 2159 CD1 TRP A 85 9.084 -6.155 1.235 1.00 62.04 C ATOM 2160 CD2 TRP A 85 7.160 -5.024 1.410 1.00 58.69 C ATOM 2161 NE1 TRP A 85 8.141 -6.817 0.481 1.00 62.50 N ATOM 2162 CE2 TRP A 85 6.951 -6.144 0.578 1.00 60.29 C ATOM 2163 CE3 TRP A 85 6.086 -4.170 1.670 1.00 52.11 C ATOM 2164 CZ2 TRP A 85 5.717 -6.423 0.007 1.00 51.72 C ATOM 2165 CZ3 TRP A 85 4.862 -4.452 1.102 1.00 39.70 C ATOM 2166 CH2 TRP A 85 4.688 -5.566 0.278 1.00 44.52 C ATOM 2167 HA TRP A 85 10.177 -5.790 3.296 1.00 0.00 H ATOM 2168 HB2 TRP A 85 8.480 -3.582 3.373 1.00 0.00 H ATOM 2169 HB3 TRP A 85 9.709 -3.283 2.121 1.00 0.00 H ATOM 2170 HE1 TRP A 85 8.305 -7.684 -0.070 1.00 0.00 H ATOM 2171 HD1 TRP A 85 10.120 -6.472 1.356 1.00 0.00 H ATOM 2172 HZ2 TRP A 85 5.574 -7.293 -0.634 1.00 0.00 H ATOM 2173 HH2 TRP A 85 3.708 -5.756 -0.159 1.00 0.00 H ATOM 2174 HZ3 TRP A 85 4.016 -3.794 1.299 1.00 0.00 H ATOM 2175 HE3 TRP A 85 6.213 -3.297 2.310 1.00 0.00 H ATOM 2176 H TRP A 85 9.664 -4.077 5.592 1.00 0.00 H ATOM 2177 N LYS A 86 12.615 -4.499 4.162 1.00 32.08 N ATOM 2178 CA LYS A 86 14.024 -4.664 3.843 1.00 32.52 C ATOM 2179 C LYS A 86 14.268 -6.074 3.298 1.00 39.13 C ATOM 2180 O LYS A 86 15.124 -6.274 2.429 1.00 33.57 O ATOM 2181 CB LYS A 86 14.895 -4.445 5.066 1.00 33.28 C ATOM 2182 CG LYS A 86 16.362 -4.678 4.786 1.00 36.43 C ATOM 2183 CD LYS A 86 17.192 -4.455 6.031 1.00 43.83 C ATOM 2184 CE LYS A 86 18.544 -3.901 5.651 1.00 49.80 C ATOM 2185 NZ LYS A 86 19.665 -4.744 6.144 1.00 52.71 N ATOM 2186 HA LYS A 86 14.288 -3.920 3.092 1.00 0.00 H ATOM 2187 HB2 LYS A 86 14.764 -3.419 5.409 1.00 0.00 H ATOM 2188 HB3 LYS A 86 14.576 -5.132 5.850 1.00 0.00 H ATOM 2189 HG2 LYS A 86 16.502 -5.703 4.443 1.00 0.00 H ATOM 2190 HG3 LYS A 86 16.691 -3.988 4.009 1.00 0.00 H ATOM 2191 HD2 LYS A 86 16.682 -3.748 6.685 1.00 0.00 H ATOM 2192 HD3 LYS A 86 17.323 -5.402 6.554 1.00 0.00 H ATOM 2193 HE2 LYS A 86 18.645 -2.902 6.076 1.00 0.00 H ATOM 2194 HE3 LYS A 86 18.604 -3.840 4.564 1.00 0.00 H ATOM 2195 HZ1 LYS A 86 19.623 -4.803 7.181 1.00 0.00 H ATOM 2196 HZ2 LYS A 86 19.584 -5.698 5.738 1.00 0.00 H ATOM 2197 HZ3 LYS A 86 20.569 -4.319 5.856 1.00 0.00 H ATOM 2198 H LYS A 86 12.314 -4.346 5.146 1.00 0.00 H TER 2199 LYS A 86 HETATM 2200 MN MN A 1 3.620 7.047 26.066 1.00 22.09 MN HETATM 2201 MN MN A 2 2.735 9.331 28.855 1.00 22.26 MN HETATM 2202 O HOH 3 11.035 10.048 30.754 1.00 24.46 O HETATM 2203 O HOH 4 9.710 14.182 0.000 1.00 23.42 O HETATM 2204 O HOH 5 14.014 19.383 11.186 1.00 22.31 O HETATM 2205 O HOH 6 8.387 11.420 24.171 1.00 23.62 O HETATM 2206 O HOH 7 5.649 8.277 23.168 1.00 27.71 O HETATM 2207 O HOH 8 6.715 10.564 30.888 1.00 25.52 O HETATM 2208 O HOH 9 17.304 5.955 3.582 1.00 32.33 O HETATM 2209 O HOH 10 11.528 20.070 11.400 1.00 23.69 O HETATM 2210 O HOH 11 16.081 5.294 14.133 1.00 26.92 O HETATM 2211 O HOH 12 14.789 19.141 7.643 1.00 29.02 O HETATM 2212 O HOH 13 17.273 22.065 16.011 1.00 43.70 O HETATM 2213 O HOH 14 4.635 7.640 0.205 1.00 28.01 O HETATM 2214 O HOH 15 16.695 7.865 7.544 1.00 23.56 O HETATM 2215 O HOH 16 12.739 20.321 5.150 1.00 29.04 O HETATM 2216 O HOH 17 2.601 2.850 24.646 1.00 29.35 O HETATM 2217 O HOH 18 16.201 17.479 21.962 1.00 39.86 O HETATM 2218 O HOH 19 8.015 16.400 5.212 1.00 26.51 O HETATM 2219 O HOH 20 -4.036 19.021 27.042 1.00 33.16 O HETATM 2220 O HOH 21 9.719 3.661 32.483 1.00 21.79 O HETATM 2221 O HOH 22 5.545 -1.326 29.465 1.00 31.83 O HETATM 2222 O HOH 23 11.444 18.284 -1.507 1.00 33.42 O HETATM 2223 O HOH 24 11.729 15.567 -0.940 1.00 28.65 O HETATM 2224 O HOH 25 4.339 7.701 20.298 1.00 33.57 O HETATM 2225 O HOH 26 -4.145 0.645 24.155 1.00 32.94 O HETATM 2226 O HOH 27 19.598 -7.816 8.735 1.00 56.84 O HETATM 2227 O HOH 28 8.535 18.912 4.208 1.00 39.01 O HETATM 2228 O HOH 29 3.276 23.095 16.613 1.00 25.12 O HETATM 2229 O HOH 30 4.945 13.919 33.082 1.00 39.68 O HETATM 2230 O HOH 31 6.389 12.840 4.892 1.00 26.25 O HETATM 2231 O HOH 32 21.642 19.019 16.600 1.00 42.89 O HETATM 2232 O HOH 33 7.885 14.517 3.501 1.00 31.66 O HETATM 2233 O HOH 34 19.870 5.583 3.681 1.00 43.35 O HETATM 2234 O HOH 35 5.890 22.202 27.210 1.00 41.62 O HETATM 2235 O HOH 36 6.899 11.384 35.616 1.00 35.70 O HETATM 2236 O HOH 37 16.762 4.591 25.776 1.00 50.09 O HETATM 2237 O HOH 38 12.559 -0.087 -1.362 1.00 45.27 O HETATM 2238 O HOH 39 17.885 18.355 17.402 1.00 59.29 O HETATM 2239 O HOH 40 -5.337 -0.030 19.569 1.00 36.46 O HETATM 2240 O HOH 41 -0.063 5.716 25.800 1.00 34.14 O HETATM 2241 O HOH 42 14.423 15.433 -1.057 1.00 43.69 O HETATM 2242 O HOH 43 21.903 10.561 11.581 1.00 36.81 O HETATM 2243 O HOH 44 28.574 7.856 13.261 1.00 52.14 O HETATM 2244 O HOH 45 12.579 -9.282 -0.351 1.00 35.30 O HETATM 2245 O HOH 46 4.485 -3.771 11.107 1.00 52.54 O HETATM 2246 O HOH 47 24.415 12.433 4.571 1.00 51.19 O HETATM 2247 O HOH 48 0.820 -1.144 24.356 1.00 42.30 O HETATM 2248 O HOH 49 14.386 1.461 -1.820 1.00 32.00 O HETATM 2249 O HOH 50 22.818 16.254 10.014 1.00 51.38 O HETATM 2250 O HOH 51 -1.301 -5.859 14.229 1.00 59.28 O HETATM 2251 O HOH 52 23.767 13.985 11.643 1.00 41.17 O HETATM 2252 O HOH 53 1.935 7.588 -0.993 1.00 38.85 O HETATM 2253 O HOH 54 21.699 15.621 7.485 1.00 45.70 O HETATM 2254 O HOH 55 -14.512 7.918 21.696 1.00 40.36 O HETATM 2255 O HOH 56 14.406 16.324 26.811 1.00 42.91 O HETATM 2256 O HOH 57 9.710 -9.618 0.000 1.00 43.04 O HETATM 2257 O HOH 58 15.465 0.821 9.234 1.00 33.03 O HETATM 2258 O HOH 59 9.558 -1.618 21.112 1.00 40.73 O HETATM 2259 O HOH 60 23.014 14.798 17.904 1.00 45.07 O HETATM 2260 O HOH 61 9.710 19.548 0.000 1.00 37.04 O HETATM 2261 O HOH 62 17.420 -1.244 3.996 1.00 45.78 O HETATM 2262 O HOH 63 24.095 12.490 16.308 1.00 36.76 O HETATM 2263 O HOH 64 4.573 22.724 10.830 1.00 41.87 O HETATM 2264 O HOH 65 15.996 -1.189 7.526 1.00 40.73 O HETATM 2265 O HOH 66 -1.029 7.398 29.740 1.00 41.59 O HETATM 2266 O HOH 67 11.314 24.108 12.816 1.00 42.03 O HETATM 2267 O HOH 68 1.836 20.766 8.838 1.00 40.53 O HETATM 2268 O HOH 69 14.293 2.955 15.408 1.00 41.04 O HETATM 2269 O HOH 70 -3.559 15.192 11.020 1.00 52.53 O HETATM 2270 O HOH 71 19.260 14.533 3.880 1.00 51.97 O HETATM 2271 O HOH 72 1.638 13.732 6.462 1.00 50.24 O HETATM 2272 O HOH 73 -10.795 10.831 16.219 1.00 41.86 O HETATM 2273 O HOH 74 6.001 19.442 7.122 1.00 41.67 O HETATM 2274 O HOH 75 15.525 3.266 20.414 1.00 43.14 O HETATM 2275 O HOH 76 21.023 3.801 8.619 1.00 51.04 O HETATM 2276 O HOH 77 17.230 4.201 17.774 1.00 51.29 O HETATM 2277 O HOH 78 -9.999 18.092 24.379 1.00 42.14 O HETATM 2278 O HOH 79 16.751 9.734 1.883 1.00 43.45 O HETATM 2279 O HOH 80 21.057 5.988 18.679 1.00 50.65 O HETATM 2280 O HOH 81 0.419 6.399 32.923 1.00 47.40 O HETATM 2281 O HOH 82 -9.299 3.482 25.026 1.00 39.09 O HETATM 2282 O HOH 83 4.081 24.558 14.364 1.00 48.08 O HETATM 2283 O HOH 84 17.876 1.056 10.691 1.00 49.34 O HETATM 2284 O HOH 85 13.893 19.700 -1.039 1.00 56.14 O HETATM 2285 O HOH 86 -0.013 9.078 4.991 1.00 40.20 O HETATM 2286 O HOH 87 11.682 -2.077 18.817 1.00 53.14 O HETATM 2287 O HOH 88 -1.040 20.911 30.583 1.00 56.21 O HETATM 2288 O HOH 89 14.511 -0.869 5.214 1.00 47.00 O HETATM 2289 O HOH 90 23.156 7.227 18.023 1.00 56.93 O HETATM 2290 O HOH 91 17.729 8.284 4.754 1.00 39.31 O HETATM 2291 O HOH 92 17.187 2.630 15.637 1.00 59.43 O HETATM 2292 O HOH 93 15.798 -8.020 0.737 1.00 51.35 O HETATM 2293 O HOH 94 -1.437 16.318 33.240 1.00 45.05 O HETATM 2294 O HOH 95 3.603 -9.101 10.732 1.00 57.63 O HETATM 2295 O HOH 96 3.948 26.644 12.711 1.00 43.79 O HETATM 2296 O HOH 97 11.651 -8.941 3.209 1.00 32.17 O HETATM 2297 O HOH 98 0.116 3.114 24.740 1.00 51.62 O HETATM 2298 O HOH 99 18.521 -7.094 -1.138 1.00 45.71 O HETATM 2299 O HOH 100 17.901 -2.004 1.547 1.00 54.83 O HETATM 2300 O HOH 101 -0.083 -4.633 5.519 1.00 40.69 O HETATM 2301 O HOH 102 2.592 -4.491 4.260 1.00 40.17 O HETATM 2302 O HOH 103 -5.820 2.050 11.846 1.00 41.51 O HETATM 2303 O HOH 104 12.429 27.573 17.006 1.00 34.94 O HETATM 2304 O HOH 105 -8.659 19.444 27.682 1.00 62.58 O HETATM 2305 O HOH 106 7.312 -4.563 4.756 1.00 35.94 O HETATM 2306 O HOH 107 -3.127 12.098 13.963 1.00 64.28 O HETATM 2307 O HOH 108 -11.812 14.863 17.668 1.00 60.36 O HETATM 2308 O HOH 109 18.333 4.457 20.095 1.00 62.35 O HETATM 2309 O HOH 110 17.759 1.246 13.376 1.00 68.52 O HETATM 2310 O HOH 111 -4.557 10.494 10.720 1.00 55.72 O HETATM 2311 O HOH 112 18.754 -1.203 7.182 1.00 50.81 O HETATM 2312 O HOH 113 8.400 -12.243 -0.007 1.00 44.38 O HETATM 2313 O HOH 114 6.816 -7.834 8.712 1.00 39.15 O HETATM 2314 O HOH 115 14.725 -2.030 0.443 1.00 40.57 O HETATM 2315 O HOH 116 15.352 -1.514 2.610 1.00 45.51 O HETATM 2316 O HOH 117 10.141 -4.559 9.733 1.00 66.20 O HETATM 2317 O HOH 118 17.813 19.203 9.117 1.00 45.73 O HETATM 2318 O HOH 119 16.028 19.320 4.957 1.00 53.44 O HETATM 2319 O HOH 120 14.759 21.011 3.625 1.00 48.01 O HETATM 2320 O HOH 121 -7.477 0.828 18.121 1.00 53.93 O HETATM 2321 O HOH 122 14.022 0.342 15.171 1.00 54.66 O HETATM 2322 O HOH 123 20.271 15.671 18.040 1.00 56.26 O HETATM 2323 O HOH 124 26.894 13.032 15.752 1.00 46.06 O HETATM 2324 O HOH 125 -1.497 0.474 25.391 1.00 54.39 O HETATM 2325 O HOH 126 -4.944 -1.194 21.767 1.00 51.38 O HETATM 2326 O HOH 127 19.420 22.593 10.390 1.00 30.72 O HETATM 2327 O HOH 128 -2.904 21.198 28.445 1.00 56.59 O HETATM 2328 O HOH 129 0.550 9.221 28.444 1.00 23.25 O HETATM 2329 O HOH 130 4.908 9.153 29.223 1.00 20.83 O HETATM 2330 O HOH 131 8.855 27.411 18.224 1.00 24.46 O HETATM 2331 O HOH 132 22.645 7.498 11.106 1.00 50.54 O HETATM 2332 O HOH 133 0.466 12.507 1.495 1.00 56.51 O HETATM 2333 O HOH 134 4.604 13.825 6.314 1.00 50.69 O HETATM 2334 O HOH 135 12.839 -9.775 -3.217 1.00 47.42 O HETATM 2335 O HOH 136 8.376 27.418 15.299 1.00 45.11 O HETATM 2336 O HOH 137 3.872 1.052 30.375 1.00 31.57 O HETATM 2337 O HOH 138 13.218 -2.596 11.069 1.00 42.24 O HETATM 2338 O HOH 139 17.577 -6.050 9.082 1.00 54.14 O HETATM 2339 O HOH 140 5.492 20.635 31.730 1.00 47.97 O HETATM 2340 O HOH 141 -0.163 5.112 35.258 1.00 44.83 O HETATM 2341 O HOH 142 3.210 12.732 4.564 1.00 41.38 O HETATM 2342 O HOH 143 13.929 -0.253 11.424 1.00 39.91 O HETATM 2343 O HOH 144 -6.646 2.527 25.959 1.00 41.51 O HETATM 2344 O HOH 145 7.324 18.684 32.614 1.00 43.65 O HETATM 2345 O HOH 146 6.612 25.430 23.724 1.00 45.38 O HETATM 2346 O HOH 147 1.560 21.285 30.636 1.00 49.19 O HETATM 2347 O HOH 148 1.605 10.830 3.633 1.00 52.17 O HETATM 2348 O HOH 149 15.212 2.852 17.709 1.00 59.45 O HETATM 2349 O HOH 150 11.693 21.513 1.287 1.00 51.84 O HETATM 2350 O HOH 151 10.530 20.727 4.347 1.00 42.20 O HETATM 2351 O HOH 152 10.740 26.621 14.229 1.00 50.24 O HETATM 2352 O HOH 153 -8.563 4.944 31.552 1.00 47.96 O HETATM 2353 O HOH 154 11.009 22.389 9.595 1.00 36.96 O HETATM 2354 O HOH 155 3.739 20.206 29.648 1.00 38.28 O HETATM 2355 C01 P A 1 3.853 4.363 34.579 1.00 -0.06 C HETATM 2356 C02 P A 1 4.893 4.625 35.453 1.00 0.03 C HETATM 2357 C03 P A 1 6.231 4.541 35.071 1.00 0.09 C HETATM 2358 C04 P A 1 6.547 4.188 33.756 1.00 -0.04 C HETATM 2359 C05 P A 1 5.517 3.894 32.869 1.00 -0.06 C HETATM 2360 C06 P A 1 4.175 3.984 33.274 1.00 -0.04 C HETATM 2361 C07 P A 1 3.075 3.669 32.300 1.00 0.04 C HETATM 2362 C08 P A 1 3.048 4.603 31.124 1.00 0.09 C HETATM 2363 N09 P A 1 3.319 4.060 29.929 1.00 -0.28 N HETATM 2364 C10 P A 1 3.292 4.919 28.876 1.00 0.11 C HETATM 2365 C11 P A 1 2.993 6.255 28.999 1.00 0.18 C HETATM 2366 C12 P A 1 2.742 6.672 30.285 1.00 0.21 C HETATM 2367 N13 P A 1 2.756 5.881 31.380 1.00 -0.25 N HETATM 2368 O15 P A 1 2.437 7.961 30.534 1.00 -0.31 O HETATM 2369 H7 P A 1 3.077 8.327 31.133 1.00 0.25 H HETATM 2370 O14 P A 1 2.985 7.130 27.958 1.00 -0.32 O HETATM 2371 H6 P A 1 3.178 6.664 27.153 1.00 0.25 H HETATM 2372 C16 P A 1 3.579 4.302 27.565 1.00 0.08 C HETATM 2373 O17 P A 1 3.871 2.998 27.715 1.00 -0.56 O HETATM 2374 O18 P A 1 3.533 4.846 26.477 1.00 -0.56 O HETATM 2375 H4 P A 1 2.111 3.739 32.825 1.00 0.06 H HETATM 2376 H5 P A 1 3.218 2.643 31.930 1.00 0.06 H HETATM 2377 H3 P A 1 5.752 3.592 31.855 1.00 0.06 H HETATM 2378 H2 P A 1 7.580 4.144 33.432 1.00 0.05 H HETATM 2379 O20 P A 1 7.164 4.856 36.025 1.00 -0.32 O HETATM 2380 C21 P A 1 8.540 4.706 35.681 1.00 0.06 C HETATM 2381 H8 P A 1 9.166 4.994 36.539 1.00 0.06 H HETATM 2382 H9 P A 1 8.776 5.352 34.822 1.00 0.06 H HETATM 2383 H10 P A 1 8.740 3.657 35.417 1.00 0.06 H HETATM 2384 BR19 P A 1 4.499 5.098 37.249 1.00 -0.06 BR HETATM 2385 H1 P A 1 2.820 4.449 34.897 1.00 0.06 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 615 613 2201 CONECT 787 788 803 804 805 CONECT 803 787 CONECT 804 787 CONECT 805 787 CONECT 1073 1072 2200 CONECT 1074 1072 2201 CONECT 1612 1611 2200 CONECT 1921 1919 2200 CONECT 2200 1073 1612 1921 CONECT 2201 615 1074 CONECT 2355 2356 2360 2385 CONECT 2356 2355 2357 2384 CONECT 2357 2356 2358 2379 CONECT 2358 2357 2359 2378 CONECT 2359 2358 2360 2377 CONECT 2360 2355 2359 2361 CONECT 2361 2360 2362 2375 2376 CONECT 2362 2361 2363 2367 CONECT 2363 2362 2364 CONECT 2364 2363 2365 2372 CONECT 2365 2364 2366 2370 CONECT 2366 2365 2367 2368 CONECT 2367 2362 2366 CONECT 2368 2366 2369 CONECT 2369 2368 CONECT 2370 2365 2371 CONECT 2371 2370 CONECT 2372 2364 2373 2374 CONECT 2373 2372 CONECT 2374 2372 CONECT 2375 2361 CONECT 2376 2361 CONECT 2377 2359 CONECT 2378 2358 CONECT 2379 2357 2380 CONECT 2380 2379 2381 2382 2383 CONECT 2381 2380 CONECT 2382 2380 CONECT 2383 2380 CONECT 2384 2356 CONECT 2385 2355 MASTER 0 0 0 0 0 0 0 0 2383 2 46 11 END
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Structure:
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Related entries of code: 3qin
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3hyf
RCSB PDB
PDBbind
150aa, >3HYF_1|Chain... *
3qio
RCSB PDB
PDBbind
150aa, >3QIO_1|Chain... at 100%
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
3qin
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 RNase H p15 with engineered E. coli loop
Ligand Name
P1Y
EC.Number
E.C.2.7.7.49
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=136nM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Antimicrob.Agents Chemother. Vol. 55: pp. 2905-2915
Ligand Properties
Formula
C
1
3
H
1
1
BrN
2
O
5
Molecular Weight
355.141
Exact Mass
353.985
No. of atoms
32
No. of bonds
33
Polar Surface Area
112.77
LOGP Value
3.64 (
Computed with XLOGP3
)
1.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
COc1ccc(cc1Br)Cc1nc(O)c(c(n1)C(=O)O)O
InChI String
InChI=1S/C13H11BrN2O5/c1-21-8-3-2-6(4-7(8)14)5-9-15-10(13(19)20)11(17)12(18)16-9/h2-4,17H,5H2,1H3,(H,19,20)(H,15,16,18)
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):
P0A7Y4
P04585
Entrez Gene ID
NCBI Entrez Gene ID:
61755530
946955
155348
ASD
Information of known allosteric effects of PDB entries
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