Browse entries in the PDBbind-CN Database
HEADER 5W44_COMPLEX COMPND 5W44_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 178 MET GLU ASP PHE VAL ARG GLN CYS PHE ASN PRO MET ILE SEQRES 2 A 178 VAL GLU LEU ALA GLU LYS ALA MET LYS GLU TYR GLY GLU SEQRES 3 A 178 ASP PRO LYS ILE GLU THR ASN LYS PHE ALA ALA ILE CYS SEQRES 4 A 178 THR HIS LEU GLU VAL CYS PHE MET TYR SER ASP GLY GLY SEQRES 5 A 178 SER LYS HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG SEQRES 6 A 178 ILE MET ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR SEQRES 7 A 178 THR GLY VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR SEQRES 8 A 178 ASP TYR LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR SEQRES 9 A 178 ARG ARG GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN SEQRES 10 A 178 LYS ILE LYS SER GLU LYS THR HIS ILE HIS ILE PHE SER SEQRES 11 A 178 PHE THR GLY GLU GLU MET ALA THR LYS ALA ASP TYR THR SEQRES 12 A 178 LEU ASP GLU GLU SER ARG ALA ARG ILE LYS THR ARG LEU SEQRES 13 A 178 PHE THR ILE ARG GLN GLU MET ALA SER ARG SER LEU TRP SEQRES 14 A 178 ASP SER PHE ARG GLN SER GLU ARG ALA HET MN A 1 1 HET MG A 2 1 HET NA A 3 1 HET GY A 6 56 ATOM 1 N MET A 1 -13.991 84.930 -4.746 1.00 50.11 N ATOM 2 CA MET A 1 -14.137 84.217 -3.476 1.00 49.00 C ATOM 3 C MET A 1 -14.899 85.005 -2.414 1.00 48.36 C ATOM 4 O MET A 1 -15.499 84.402 -1.529 1.00 46.43 O ATOM 5 CB MET A 1 -12.771 83.814 -2.907 1.00 48.44 C ATOM 6 CG MET A 1 -12.808 83.309 -1.450 1.00 45.03 C ATOM 7 SD MET A 1 -13.562 81.675 -1.176 1.00 44.92 S ATOM 8 CE MET A 1 -12.171 80.577 -1.481 1.00 45.22 C ATOM 9 HN3 MET A 1 -13.472 85.817 -4.586 1.00 0.00 H ATOM 10 HN2 MET A 1 -14.933 85.142 -5.133 1.00 0.00 H ATOM 11 HN1 MET A 1 -13.465 84.335 -5.417 1.00 0.00 H ATOM 12 N GLU A 2 -14.870 86.343 -2.474 1.00 48.69 N ATOM 13 CA GLU A 2 -15.708 87.111 -1.553 1.00 47.60 C ATOM 14 C GLU A 2 -17.181 86.895 -1.864 1.00 47.13 C ATOM 15 O GLU A 2 -18.003 86.743 -0.948 1.00 42.71 O ATOM 16 CB GLU A 2 -15.376 88.605 -1.607 1.00 49.01 C ATOM 17 CG GLU A 2 -16.241 89.414 -0.634 1.00 49.47 C ATOM 18 CD GLU A 2 -16.076 90.921 -0.767 1.00 52.77 C ATOM 19 OE1 GLU A 2 -15.173 91.372 -1.509 1.00 55.06 O ATOM 20 OE2 GLU A 2 -16.857 91.657 -0.122 1.00 53.08 O ATOM 21 H GLU A 2 -14.262 86.828 -3.164 1.00 0.00 H ATOM 22 N ASP A 3 -17.524 86.878 -3.155 1.00 52.29 N ATOM 23 CA ASP A 3 -18.880 86.541 -3.564 1.00 58.38 C ATOM 24 C ASP A 3 -19.271 85.152 -3.081 1.00 53.68 C ATOM 25 O ASP A 3 -20.395 84.950 -2.605 1.00 52.63 O ATOM 26 CB ASP A 3 -19.000 86.625 -5.082 1.00 70.64 C ATOM 27 CG ASP A 3 -18.567 87.969 -5.622 1.00 80.48 C ATOM 28 OD1 ASP A 3 -17.365 88.300 -5.505 1.00 83.09 O ATOM 29 OD2 ASP A 3 -19.432 88.694 -6.157 1.00 85.07 O ATOM 30 H ASP A 3 -16.813 87.109 -3.878 1.00 0.00 H ATOM 31 N PHE A 4 -18.361 84.178 -3.196 1.00 50.54 N ATOM 32 CA PHE A 4 -18.683 82.830 -2.739 1.00 46.83 C ATOM 33 C PHE A 4 -19.035 82.821 -1.257 1.00 43.64 C ATOM 34 O PHE A 4 -20.045 82.235 -0.854 1.00 44.40 O ATOM 35 CB PHE A 4 -17.530 81.861 -3.009 1.00 46.91 C ATOM 36 CG PHE A 4 -17.743 80.499 -2.386 1.00 45.53 C ATOM 37 CD1 PHE A 4 -18.584 79.573 -2.984 1.00 48.43 C ATOM 38 CD2 PHE A 4 -17.127 80.161 -1.189 1.00 42.81 C ATOM 39 CE1 PHE A 4 -18.794 78.324 -2.410 1.00 47.95 C ATOM 40 CE2 PHE A 4 -17.333 78.927 -0.604 1.00 42.70 C ATOM 41 CZ PHE A 4 -18.168 78.001 -1.218 1.00 45.55 C ATOM 42 H PHE A 4 -17.428 84.381 -3.609 1.00 0.00 H ATOM 43 N VAL A 5 -18.213 83.465 -0.426 1.00 41.04 N ATOM 44 CA VAL A 5 -18.468 83.439 1.013 1.00 37.96 C ATOM 45 C VAL A 5 -19.828 84.054 1.323 1.00 38.16 C ATOM 46 O VAL A 5 -20.602 83.516 2.125 1.00 37.66 O ATOM 47 CB VAL A 5 -17.325 84.145 1.773 1.00 36.78 C ATOM 48 CG1 VAL A 5 -17.721 84.416 3.227 1.00 35.13 C ATOM 49 CG2 VAL A 5 -16.056 83.304 1.720 1.00 35.99 C ATOM 50 H VAL A 5 -17.393 83.984 -0.801 1.00 0.00 H ATOM 51 N ARG A 6 -20.155 85.172 0.671 1.00 39.35 N ATOM 52 CA ARG A 6 -21.374 85.891 1.028 1.00 42.35 C ATOM 53 C ARG A 6 -22.631 85.145 0.598 1.00 45.17 C ATOM 54 O ARG A 6 -23.677 85.288 1.239 1.00 46.30 O ATOM 55 CB ARG A 6 -21.349 87.298 0.431 1.00 44.21 C ATOM 56 CG ARG A 6 -20.238 88.169 1.015 1.00 43.94 C ATOM 57 CD ARG A 6 -20.373 89.645 0.631 1.00 45.96 C ATOM 58 NE ARG A 6 -19.190 90.399 1.045 1.00 44.99 N ATOM 59 CZ ARG A 6 -19.008 90.894 2.266 1.00 43.40 C ATOM 60 NH1 ARG A 6 -19.945 90.736 3.197 1.00 42.50 N ATOM 61 NH2 ARG A 6 -17.896 91.552 2.553 1.00 42.39 N ATOM 62 HE ARG A 6 -18.443 90.558 0.339 1.00 0.00 H ATOM 63 HH12 ARG A 6 -19.801 91.124 4.151 1.00 0.00 H ATOM 64 HH11 ARG A 6 -20.822 90.225 2.971 1.00 0.00 H ATOM 65 HH22 ARG A 6 -17.753 91.939 3.507 1.00 0.00 H ATOM 66 HH21 ARG A 6 -17.166 91.682 1.824 1.00 0.00 H ATOM 67 H ARG A 6 -19.543 85.530 -0.090 1.00 0.00 H ATOM 68 N GLN A 7 -22.569 84.352 -0.470 1.00 47.01 N ATOM 69 CA GLN A 7 -23.745 83.577 -0.841 1.00 51.43 C ATOM 70 C GLN A 7 -23.767 82.196 -0.203 1.00 49.69 C ATOM 71 O GLN A 7 -24.833 81.577 -0.141 1.00 49.44 O ATOM 72 CB GLN A 7 -23.858 83.452 -2.369 1.00 59.69 C ATOM 73 CG GLN A 7 -22.586 83.031 -3.083 1.00 66.85 C ATOM 74 CD GLN A 7 -22.765 82.920 -4.595 1.00 75.82 C ATOM 75 OE1 GLN A 7 -21.891 83.319 -5.370 1.00 78.24 O ATOM 76 NE2 GLN A 7 -23.894 82.361 -5.019 1.00 79.97 N ATOM 77 HE22 GLN A 7 -24.605 82.038 -4.332 1.00 0.00 H ATOM 78 HE21 GLN A 7 -24.067 82.246 -6.038 1.00 0.00 H ATOM 79 H GLN A 7 -21.695 84.287 -1.030 1.00 0.00 H ATOM 80 N CYS A 8 -22.633 81.718 0.309 1.00 49.27 N ATOM 81 CA CYS A 8 -22.546 80.361 0.836 1.00 50.48 C ATOM 82 C CYS A 8 -22.876 80.264 2.321 1.00 46.28 C ATOM 83 O CYS A 8 -23.450 79.254 2.752 1.00 45.91 O ATOM 84 CB CYS A 8 -21.145 79.794 0.586 1.00 55.21 C ATOM 85 SG CYS A 8 -20.811 78.208 1.391 1.00 58.03 S ATOM 86 H CYS A 8 -21.790 82.327 0.333 1.00 0.00 H ATOM 87 N PHE A 9 -22.545 81.284 3.111 1.00 41.13 N ATOM 88 CA PHE A 9 -22.694 81.229 4.556 1.00 39.11 C ATOM 89 C PHE A 9 -23.802 82.165 5.027 1.00 38.63 C ATOM 90 O PHE A 9 -24.094 83.186 4.398 1.00 38.94 O ATOM 91 CB PHE A 9 -21.377 81.581 5.257 1.00 38.71 C ATOM 92 CG PHE A 9 -20.270 80.589 4.995 1.00 41.23 C ATOM 93 CD1 PHE A 9 -20.206 79.400 5.710 1.00 40.73 C ATOM 94 CD2 PHE A 9 -19.302 80.836 4.029 1.00 41.12 C ATOM 95 CE1 PHE A 9 -19.196 78.480 5.473 1.00 40.82 C ATOM 96 CE2 PHE A 9 -18.289 79.919 3.788 1.00 41.24 C ATOM 97 CZ PHE A 9 -18.239 78.736 4.513 1.00 40.27 C ATOM 98 H PHE A 9 -22.166 82.151 2.679 1.00 0.00 H ATOM 99 N ASN A 10 -24.408 81.789 6.148 1.00 38.09 N ATOM 100 CA ASN A 10 -25.484 82.563 6.758 1.00 41.20 C ATOM 101 C ASN A 10 -25.009 83.978 7.115 1.00 36.89 C ATOM 102 O ASN A 10 -23.863 84.163 7.543 1.00 34.70 O ATOM 103 CB ASN A 10 -25.961 81.821 8.008 1.00 46.50 C ATOM 104 CG ASN A 10 -27.040 82.548 8.752 1.00 54.13 C ATOM 105 OD1 ASN A 10 -26.798 83.572 9.383 1.00 54.66 O ATOM 106 ND2 ASN A 10 -28.250 82.005 8.703 1.00 58.19 N ATOM 107 HD22 ASN A 10 -28.408 81.136 8.155 1.00 0.00 H ATOM 108 HD21 ASN A 10 -29.040 82.449 9.213 1.00 0.00 H ATOM 109 H ASN A 10 -24.103 80.908 6.609 1.00 0.00 H ATOM 110 N PRO A 11 -25.861 85.001 6.959 1.00 35.41 N ATOM 111 CA PRO A 11 -25.401 86.384 7.209 1.00 34.95 C ATOM 112 C PRO A 11 -24.835 86.645 8.599 1.00 33.91 C ATOM 113 O PRO A 11 -23.941 87.494 8.724 1.00 32.42 O ATOM 114 CB PRO A 11 -26.662 87.226 6.946 1.00 36.49 C ATOM 115 CG PRO A 11 -27.419 86.420 5.933 1.00 37.63 C ATOM 116 CD PRO A 11 -27.183 84.977 6.314 1.00 36.20 C ATOM 117 N MET A 12 -25.303 85.976 9.660 1.00 35.45 N ATOM 118 CA MET A 12 -24.686 86.252 10.960 1.00 39.15 C ATOM 119 C MET A 12 -23.289 85.657 11.057 1.00 32.12 C ATOM 120 O MET A 12 -22.405 86.262 11.683 1.00 29.63 O ATOM 121 CB MET A 12 -25.556 85.757 12.118 1.00 50.61 C ATOM 122 CG MET A 12 -26.285 84.478 11.875 1.00 63.00 C ATOM 123 SD MET A 12 -28.077 84.732 11.763 1.00 75.05 S ATOM 124 CE MET A 12 -28.213 85.826 10.351 1.00 79.00 C ATOM 125 H MET A 12 -26.076 85.286 9.565 1.00 0.00 H ATOM 126 N ILE A 13 -23.065 84.486 10.451 1.00 29.30 N ATOM 127 CA ILE A 13 -21.708 83.951 10.355 1.00 29.34 C ATOM 128 C ILE A 13 -20.802 84.928 9.608 1.00 28.81 C ATOM 129 O ILE A 13 -19.670 85.200 10.030 1.00 28.47 O ATOM 130 CB ILE A 13 -21.720 82.570 9.678 1.00 30.77 C ATOM 131 CG1 ILE A 13 -22.320 81.523 10.623 1.00 32.95 C ATOM 132 CG2 ILE A 13 -20.294 82.178 9.229 1.00 29.21 C ATOM 133 CD1 ILE A 13 -22.408 80.147 10.022 1.00 37.38 C ATOM 134 H ILE A 13 -23.861 83.953 10.046 1.00 0.00 H ATOM 135 N VAL A 14 -21.283 85.457 8.476 1.00 29.28 N ATOM 136 CA VAL A 14 -20.474 86.388 7.690 1.00 29.22 C ATOM 137 C VAL A 14 -20.142 87.632 8.506 1.00 28.34 C ATOM 138 O VAL A 14 -19.002 88.116 8.487 1.00 30.58 O ATOM 139 CB VAL A 14 -21.190 86.756 6.380 1.00 30.67 C ATOM 140 CG1 VAL A 14 -20.469 87.925 5.705 1.00 28.14 C ATOM 141 CG2 VAL A 14 -21.261 85.552 5.450 1.00 30.77 C ATOM 142 H VAL A 14 -22.239 85.204 8.153 1.00 0.00 H ATOM 143 N GLU A 15 -21.125 88.167 9.242 1.00 28.93 N ATOM 144 CA GLU A 15 -20.876 89.367 10.043 1.00 29.17 C ATOM 145 C GLU A 15 -19.855 89.090 11.144 1.00 29.09 C ATOM 146 O GLU A 15 -18.976 89.921 11.407 1.00 28.16 O ATOM 147 CB GLU A 15 -22.187 89.891 10.638 1.00 30.47 C ATOM 148 CG GLU A 15 -22.032 91.156 11.499 1.00 33.42 C ATOM 149 CD GLU A 15 -21.635 92.388 10.688 1.00 39.79 C ATOM 150 OE1 GLU A 15 -21.994 92.462 9.490 1.00 42.01 O ATOM 151 OE2 GLU A 15 -20.957 93.283 11.250 1.00 42.63 O ATOM 152 H GLU A 15 -22.068 87.729 9.244 1.00 0.00 H ATOM 153 N LEU A 16 -19.951 87.921 11.791 1.00 28.69 N ATOM 154 CA LEU A 16 -18.973 87.554 12.814 1.00 28.71 C ATOM 155 C LEU A 16 -17.578 87.420 12.225 1.00 26.80 C ATOM 156 O LEU A 16 -16.592 87.847 12.840 1.00 25.95 O ATOM 157 CB LEU A 16 -19.371 86.241 13.494 1.00 31.29 C ATOM 158 CG LEU A 16 -20.473 86.343 14.563 1.00 35.38 C ATOM 159 CD1 LEU A 16 -21.033 84.961 14.888 1.00 35.63 C ATOM 160 CD2 LEU A 16 -19.928 87.006 15.817 1.00 34.96 C ATOM 161 H LEU A 16 -20.728 87.269 11.564 1.00 0.00 H ATOM 162 N ALA A 17 -17.470 86.785 11.056 1.00 26.44 N ATOM 163 CA ALA A 17 -16.160 86.622 10.435 1.00 28.43 C ATOM 164 C ALA A 17 -15.564 87.975 10.057 1.00 31.73 C ATOM 165 O ALA A 17 -14.369 88.213 10.273 1.00 34.05 O ATOM 166 CB ALA A 17 -16.264 85.715 9.214 1.00 27.92 C ATOM 167 H ALA A 17 -18.319 86.407 10.588 1.00 0.00 H ATOM 168 N GLU A 18 -16.385 88.870 9.498 1.00 29.48 N ATOM 169 CA GLU A 18 -15.910 90.215 9.168 1.00 32.54 C ATOM 170 C GLU A 18 -15.347 90.915 10.398 1.00 29.33 C ATOM 171 O GLU A 18 -14.247 91.478 10.361 1.00 28.91 O ATOM 172 CB GLU A 18 -17.044 91.048 8.573 1.00 37.27 C ATOM 173 CG GLU A 18 -17.359 90.769 7.123 1.00 45.19 C ATOM 174 CD GLU A 18 -18.489 91.653 6.619 1.00 52.53 C ATOM 175 OE1 GLU A 18 -18.882 92.588 7.352 1.00 55.20 O ATOM 176 OE2 GLU A 18 -18.988 91.412 5.501 1.00 55.57 O ATOM 177 H GLU A 18 -17.371 88.608 9.296 1.00 0.00 H ATOM 178 N LYS A 19 -16.106 90.898 11.498 1.00 27.78 N ATOM 179 CA LYS A 19 -15.663 91.544 12.727 1.00 29.06 C ATOM 180 C LYS A 19 -14.347 90.951 13.225 1.00 29.27 C ATOM 181 O LYS A 19 -13.424 91.684 13.605 1.00 30.40 O ATOM 182 CB LYS A 19 -16.753 91.410 13.789 1.00 31.73 C ATOM 183 CG LYS A 19 -16.414 92.049 15.115 1.00 37.95 C ATOM 184 CD LYS A 19 -17.583 91.971 16.087 1.00 44.03 C ATOM 185 CE LYS A 19 -17.298 92.789 17.336 1.00 49.94 C ATOM 186 NZ LYS A 19 -18.520 92.967 18.171 1.00 53.39 N ATOM 187 HZ1 LYS A 19 -19.249 93.460 17.616 1.00 0.00 H ATOM 188 HZ2 LYS A 19 -18.877 92.035 18.464 1.00 0.00 H ATOM 189 HZ3 LYS A 19 -18.284 93.530 19.013 1.00 0.00 H ATOM 190 H LYS A 19 -17.027 90.416 11.477 1.00 0.00 H ATOM 191 N ALA A 20 -14.254 89.618 13.256 1.00 31.46 N ATOM 192 CA ALA A 20 -13.036 88.971 13.731 1.00 31.96 C ATOM 193 C ALA A 20 -11.823 89.408 12.917 1.00 31.04 C ATOM 194 O ALA A 20 -10.754 89.673 13.475 1.00 32.98 O ATOM 195 CB ALA A 20 -13.195 87.448 13.679 1.00 32.71 C ATOM 196 H ALA A 20 -15.056 89.037 12.939 1.00 0.00 H ATOM 197 N MET A 21 -11.970 89.497 11.597 1.00 29.43 N ATOM 198 CA MET A 21 -10.855 89.925 10.763 1.00 31.08 C ATOM 199 C MET A 21 -10.489 91.378 11.029 1.00 31.76 C ATOM 200 O MET A 21 -9.307 91.711 11.188 1.00 30.99 O ATOM 201 CB MET A 21 -11.195 89.709 9.291 1.00 31.74 C ATOM 202 CG MET A 21 -11.202 88.223 8.920 1.00 33.28 C ATOM 203 SD MET A 21 -11.476 87.997 7.168 1.00 38.16 S ATOM 204 CE MET A 21 -9.833 88.336 6.535 1.00 40.18 C ATOM 205 H MET A 21 -12.884 89.260 11.160 1.00 0.00 H ATOM 206 N LYS A 22 -11.492 92.259 11.081 1.00 30.63 N ATOM 207 CA LYS A 22 -11.199 93.678 11.244 1.00 31.17 C ATOM 208 C LYS A 22 -10.577 93.965 12.605 1.00 29.04 C ATOM 209 O LYS A 22 -9.776 94.903 12.740 1.00 29.79 O ATOM 210 CB LYS A 22 -12.475 94.495 11.034 1.00 31.95 C ATOM 211 CG LYS A 22 -12.959 94.498 9.583 1.00 37.86 C ATOM 212 CD LYS A 22 -14.393 95.034 9.459 1.00 42.85 C ATOM 213 CE LYS A 22 -14.461 96.537 9.701 1.00 48.75 C ATOM 214 NZ LYS A 22 -15.845 97.117 9.528 1.00 51.80 N ATOM 215 HZ1 LYS A 22 -16.173 96.944 8.556 1.00 0.00 H ATOM 216 HZ2 LYS A 22 -16.496 96.664 10.201 1.00 0.00 H ATOM 217 HZ3 LYS A 22 -15.815 98.141 9.708 1.00 0.00 H ATOM 218 H LYS A 22 -12.477 91.934 11.006 1.00 0.00 H ATOM 219 N GLU A 23 -10.920 93.167 13.620 1.00 27.51 N ATOM 220 CA GLU A 23 -10.280 93.310 14.921 1.00 29.76 C ATOM 221 C GLU A 23 -8.778 93.036 14.880 1.00 31.70 C ATOM 222 O GLU A 23 -8.081 93.349 15.853 1.00 28.73 O ATOM 223 CB GLU A 23 -10.971 92.396 15.935 1.00 30.67 C ATOM 224 CG GLU A 23 -12.346 92.930 16.341 1.00 33.03 C ATOM 225 CD GLU A 23 -13.080 92.053 17.345 1.00 38.22 C ATOM 226 OE1 GLU A 23 -12.791 90.840 17.433 1.00 40.20 O ATOM 227 OE2 GLU A 23 -13.960 92.585 18.047 1.00 40.38 O ATOM 228 H GLU A 23 -11.649 92.439 13.480 1.00 0.00 H ATOM 229 N TYR A 24 -8.254 92.484 13.790 1.00 34.57 N ATOM 230 CA TYR A 24 -6.814 92.318 13.643 1.00 39.41 C ATOM 231 C TYR A 24 -6.294 93.055 12.414 1.00 40.55 C ATOM 232 O TYR A 24 -5.242 92.717 11.874 1.00 40.62 O ATOM 233 CB TYR A 24 -6.452 90.834 13.611 1.00 44.39 C ATOM 234 CG TYR A 24 -6.682 90.195 14.956 1.00 50.57 C ATOM 235 CD1 TYR A 24 -7.923 89.666 15.288 1.00 52.37 C ATOM 236 CD2 TYR A 24 -5.673 90.159 15.915 1.00 55.39 C ATOM 237 CE1 TYR A 24 -8.154 89.100 16.529 1.00 55.22 C ATOM 238 CE2 TYR A 24 -5.891 89.590 17.161 1.00 58.49 C ATOM 239 CZ TYR A 24 -7.138 89.061 17.463 1.00 59.18 C ATOM 240 OH TYR A 24 -7.372 88.496 18.700 1.00 61.68 O ATOM 241 HH TYR A 24 -8.307 88.172 18.742 1.00 0.00 H ATOM 242 H TYR A 24 -8.884 92.164 13.027 1.00 0.00 H ATOM 243 N GLY A 25 -7.026 94.076 11.970 1.00 41.84 N ATOM 244 CA GLY A 25 -6.547 94.931 10.901 1.00 43.56 C ATOM 245 C GLY A 25 -6.556 94.303 9.527 1.00 43.25 C ATOM 246 O GLY A 25 -5.913 94.825 8.614 1.00 44.74 O ATOM 247 H GLY A 25 -7.956 94.263 12.397 1.00 0.00 H ATOM 248 N GLU A 26 -7.286 93.207 9.347 1.00 39.99 N ATOM 249 CA GLU A 26 -7.341 92.505 8.073 1.00 43.98 C ATOM 250 C GLU A 26 -8.653 92.807 7.355 1.00 42.98 C ATOM 251 O GLU A 26 -9.718 92.862 7.976 1.00 41.58 O ATOM 252 CB GLU A 26 -7.176 90.999 8.289 1.00 47.21 C ATOM 253 CG GLU A 26 -5.857 90.651 8.968 1.00 53.46 C ATOM 254 CD GLU A 26 -5.773 89.200 9.409 1.00 57.71 C ATOM 255 OE1 GLU A 26 -4.644 88.683 9.556 1.00 60.58 O ATOM 256 OE2 GLU A 26 -6.836 88.582 9.617 1.00 57.87 O ATOM 257 H GLU A 26 -7.839 92.837 10.146 1.00 0.00 H ATOM 258 N ASP A 27 -8.563 93.011 6.045 1.00 44.69 N ATOM 259 CA ASP A 27 -9.719 93.387 5.241 1.00 45.28 C ATOM 260 C ASP A 27 -10.342 92.141 4.629 1.00 43.01 C ATOM 261 O ASP A 27 -9.695 91.487 3.800 1.00 43.83 O ATOM 262 CB ASP A 27 -9.313 94.356 4.137 1.00 49.51 C ATOM 263 CG ASP A 27 -10.509 94.954 3.412 1.00 52.09 C ATOM 264 OD1 ASP A 27 -11.627 94.411 3.533 1.00 51.54 O ATOM 265 OD2 ASP A 27 -10.333 95.978 2.720 1.00 55.21 O ATOM 266 H ASP A 27 -7.640 92.899 5.579 1.00 0.00 H ATOM 267 N PRO A 28 -11.579 91.785 4.988 1.00 41.16 N ATOM 268 CA PRO A 28 -12.181 90.570 4.417 1.00 41.24 C ATOM 269 C PRO A 28 -12.263 90.601 2.904 1.00 43.63 C ATOM 270 O PRO A 28 -12.239 89.537 2.275 1.00 44.12 O ATOM 271 CB PRO A 28 -13.579 90.533 5.054 1.00 40.69 C ATOM 272 CG PRO A 28 -13.508 91.472 6.230 1.00 40.01 C ATOM 273 CD PRO A 28 -12.518 92.517 5.855 1.00 40.76 C ATOM 274 N LYS A 29 -12.354 91.788 2.294 1.00 45.36 N ATOM 275 CA LYS A 29 -12.413 91.865 0.841 1.00 50.15 C ATOM 276 C LYS A 29 -11.065 91.591 0.192 1.00 50.40 C ATOM 277 O LYS A 29 -11.018 91.322 -1.012 1.00 53.44 O ATOM 278 CB LYS A 29 -12.934 93.231 0.405 1.00 56.55 C ATOM 279 CG LYS A 29 -14.339 93.527 0.900 1.00 62.66 C ATOM 280 CD LYS A 29 -14.772 94.948 0.557 1.00 71.08 C ATOM 281 CE LYS A 29 -16.246 95.175 0.882 1.00 75.58 C ATOM 282 NZ LYS A 29 -17.157 94.326 0.050 1.00 78.69 N ATOM 283 HZ1 LYS A 29 -17.013 94.548 -0.956 1.00 0.00 H ATOM 284 HZ2 LYS A 29 -16.943 93.322 0.218 1.00 0.00 H ATOM 285 HZ3 LYS A 29 -18.145 94.520 0.312 1.00 0.00 H ATOM 286 H LYS A 29 -12.383 92.660 2.860 1.00 0.00 H ATOM 287 N ILE A 30 -9.975 91.644 0.951 1.00 47.98 N ATOM 288 CA ILE A 30 -8.636 91.382 0.423 1.00 48.98 C ATOM 289 C ILE A 30 -8.145 89.989 0.802 1.00 47.51 C ATOM 290 O ILE A 30 -7.713 89.218 -0.056 1.00 48.85 O ATOM 291 CB ILE A 30 -7.651 92.473 0.900 1.00 49.92 C ATOM 292 CG1 ILE A 30 -8.079 93.837 0.368 1.00 52.60 C ATOM 293 CG2 ILE A 30 -6.244 92.150 0.435 1.00 51.60 C ATOM 294 CD1 ILE A 30 -7.285 94.981 0.948 1.00 54.76 C ATOM 295 H ILE A 30 -10.078 91.881 1.958 1.00 0.00 H ATOM 296 N GLU A 31 -8.199 89.648 2.088 1.00 46.66 N ATOM 297 CA GLU A 31 -7.772 88.328 2.556 1.00 49.97 C ATOM 298 C GLU A 31 -8.972 87.376 2.539 1.00 43.60 C ATOM 299 O GLU A 31 -9.460 86.890 3.564 1.00 39.29 O ATOM 300 CB GLU A 31 -7.134 88.442 3.933 1.00 59.75 C ATOM 301 CG GLU A 31 -6.130 89.592 4.019 1.00 73.72 C ATOM 302 CD GLU A 31 -5.086 89.404 5.106 1.00 84.62 C ATOM 303 OE1 GLU A 31 -4.520 88.294 5.208 1.00 88.51 O ATOM 304 OE2 GLU A 31 -4.829 90.373 5.858 1.00 88.69 O ATOM 305 H GLU A 31 -8.554 90.339 2.779 1.00 0.00 H ATOM 306 N THR A 32 -9.437 87.104 1.319 1.00 43.39 N ATOM 307 CA THR A 32 -10.698 86.391 1.159 1.00 43.55 C ATOM 308 C THR A 32 -10.580 84.925 1.562 1.00 42.52 C ATOM 309 O THR A 32 -11.534 84.353 2.095 1.00 41.07 O ATOM 310 CB THR A 32 -11.199 86.525 -0.278 1.00 45.44 C ATOM 311 OG1 THR A 32 -10.226 85.987 -1.184 1.00 45.46 O ATOM 312 CG2 THR A 32 -11.446 87.992 -0.608 1.00 46.89 C ATOM 313 HG1 THR A 32 -10.557 86.077 -2.113 1.00 0.00 H ATOM 314 H THR A 32 -8.899 87.401 0.480 1.00 0.00 H ATOM 315 N ASN A 33 -9.428 84.291 1.333 1.00 43.29 N ATOM 316 CA ASN A 33 -9.282 82.909 1.785 1.00 42.21 C ATOM 317 C ASN A 33 -9.445 82.814 3.298 1.00 38.03 C ATOM 318 O ASN A 33 -10.148 81.932 3.810 1.00 35.52 O ATOM 319 CB ASN A 33 -7.932 82.337 1.346 1.00 45.29 C ATOM 320 CG ASN A 33 -7.900 81.990 -0.128 1.00 49.48 C ATOM 321 OD1 ASN A 33 -8.908 81.577 -0.702 1.00 49.88 O ATOM 322 ND2 ASN A 33 -6.739 82.155 -0.750 1.00 52.98 N ATOM 323 HD22 ASN A 33 -5.913 82.507 -0.225 1.00 0.00 H ATOM 324 HD21 ASN A 33 -6.655 81.933 -1.762 1.00 0.00 H ATOM 325 H ASN A 33 -8.648 84.772 0.841 1.00 0.00 H ATOM 326 N LYS A 34 -8.807 83.728 4.031 1.00 38.35 N ATOM 327 CA LYS A 34 -8.966 83.759 5.480 1.00 40.41 C ATOM 328 C LYS A 34 -10.424 83.988 5.863 1.00 34.73 C ATOM 329 O LYS A 34 -10.942 83.342 6.783 1.00 33.91 O ATOM 330 CB LYS A 34 -8.058 84.844 6.064 1.00 46.22 C ATOM 331 CG LYS A 34 -7.981 84.882 7.580 1.00 50.35 C ATOM 332 CD LYS A 34 -6.870 85.820 8.049 1.00 54.86 C ATOM 333 CE LYS A 34 -5.524 85.424 7.468 1.00 58.94 C ATOM 334 NZ LYS A 34 -4.431 86.331 7.933 1.00 60.57 N ATOM 335 HZ1 LYS A 34 -4.641 87.306 7.637 1.00 0.00 H ATOM 336 HZ2 LYS A 34 -4.365 86.289 8.970 1.00 0.00 H ATOM 337 HZ3 LYS A 34 -3.529 86.027 7.514 1.00 0.00 H ATOM 338 H LYS A 34 -8.191 84.424 3.565 1.00 0.00 H ATOM 339 N PHE A 35 -11.090 84.915 5.164 1.00 35.11 N ATOM 340 CA PHE A 35 -12.524 85.148 5.325 1.00 34.59 C ATOM 341 C PHE A 35 -13.293 83.833 5.295 1.00 34.34 C ATOM 342 O PHE A 35 -14.040 83.505 6.224 1.00 34.73 O ATOM 343 CB PHE A 35 -13.000 86.072 4.199 1.00 36.63 C ATOM 344 CG PHE A 35 -14.358 86.691 4.417 1.00 37.86 C ATOM 345 CD1 PHE A 35 -14.965 86.679 5.657 1.00 35.48 C ATOM 346 CD2 PHE A 35 -15.018 87.300 3.357 1.00 40.52 C ATOM 347 CE1 PHE A 35 -16.205 87.253 5.839 1.00 37.18 C ATOM 348 CE2 PHE A 35 -16.260 87.871 3.527 1.00 41.21 C ATOM 349 CZ PHE A 35 -16.858 87.853 4.771 1.00 39.88 C ATOM 350 H PHE A 35 -10.565 85.494 4.478 1.00 0.00 H ATOM 351 N ALA A 36 -13.107 83.059 4.221 1.00 34.47 N ATOM 352 CA ALA A 36 -13.805 81.788 4.067 1.00 32.85 C ATOM 353 C ALA A 36 -13.452 80.808 5.180 1.00 33.84 C ATOM 354 O ALA A 36 -14.323 80.088 5.681 1.00 33.93 O ATOM 355 CB ALA A 36 -13.469 81.186 2.698 1.00 35.17 C ATOM 356 H ALA A 36 -12.449 83.371 3.478 1.00 0.00 H ATOM 357 N ALA A 37 -12.174 80.734 5.562 1.00 34.45 N ATOM 358 CA ALA A 37 -11.784 79.760 6.581 1.00 33.77 C ATOM 359 C ALA A 37 -12.457 80.061 7.915 1.00 31.25 C ATOM 360 O ALA A 37 -12.891 79.146 8.624 1.00 29.30 O ATOM 361 CB ALA A 37 -10.264 79.737 6.739 1.00 35.45 C ATOM 362 H ALA A 37 -11.463 81.363 5.139 1.00 0.00 H ATOM 363 N ILE A 38 -12.542 81.340 8.281 1.00 29.81 N ATOM 364 CA ILE A 38 -13.189 81.705 9.535 1.00 29.27 C ATOM 365 C ILE A 38 -14.672 81.362 9.484 1.00 29.04 C ATOM 366 O ILE A 38 -15.238 80.824 10.446 1.00 29.00 O ATOM 367 CB ILE A 38 -12.956 83.199 9.834 1.00 30.36 C ATOM 368 CG1 ILE A 38 -11.460 83.470 10.035 1.00 30.87 C ATOM 369 CG2 ILE A 38 -13.795 83.644 11.037 1.00 29.85 C ATOM 370 CD1 ILE A 38 -11.105 84.958 10.064 1.00 30.88 C ATOM 371 H ILE A 38 -12.145 82.081 7.669 1.00 0.00 H ATOM 372 N CYS A 39 -15.330 81.681 8.368 1.00 31.39 N ATOM 373 CA CYS A 39 -16.740 81.332 8.224 1.00 31.31 C ATOM 374 C CYS A 39 -16.958 79.828 8.387 1.00 30.93 C ATOM 375 O CYS A 39 -17.928 79.398 9.026 1.00 28.75 O ATOM 376 CB CYS A 39 -17.253 81.796 6.861 1.00 33.68 C ATOM 377 SG CYS A 39 -17.557 83.579 6.708 1.00 36.04 S ATOM 378 H CYS A 39 -14.837 82.179 7.599 1.00 0.00 H ATOM 379 N THR A 40 -16.073 79.015 7.804 1.00 30.70 N ATOM 380 CA THR A 40 -16.249 77.560 7.854 1.00 31.85 C ATOM 381 C THR A 40 -16.112 77.037 9.280 1.00 31.50 C ATOM 382 O THR A 40 -16.933 76.234 9.740 1.00 31.50 O ATOM 383 CB THR A 40 -15.239 76.870 6.931 1.00 34.89 C ATOM 384 OG1 THR A 40 -15.411 77.340 5.589 1.00 36.38 O ATOM 385 CG2 THR A 40 -15.437 75.342 6.946 1.00 36.32 C ATOM 386 HG1 THR A 40 -15.265 78.319 5.562 1.00 0.00 H ATOM 387 H THR A 40 -15.251 79.418 7.310 1.00 0.00 H ATOM 388 N HIS A 41 -15.068 77.478 9.991 1.00 31.44 N ATOM 389 CA HIS A 41 -14.882 77.070 11.380 1.00 32.00 C ATOM 390 C HIS A 41 -16.095 77.444 12.231 1.00 33.08 C ATOM 391 O HIS A 41 -16.570 76.641 13.043 1.00 34.04 O ATOM 392 CB HIS A 41 -13.600 77.696 11.930 1.00 33.02 C ATOM 393 CG HIS A 41 -13.406 77.506 13.402 1.00 32.69 C ATOM 394 ND1 HIS A 41 -13.835 78.428 14.334 1.00 31.57 N ATOM 395 CD2 HIS A 41 -12.815 76.510 14.104 1.00 33.56 C ATOM 396 CE1 HIS A 41 -13.522 78.005 15.547 1.00 32.25 C ATOM 397 NE2 HIS A 41 -12.899 76.843 15.435 1.00 32.46 N ATOM 398 H HIS A 41 -14.380 78.120 9.548 1.00 0.00 H ATOM 399 N LEU A 42 -16.607 78.670 12.060 1.00 32.85 N ATOM 400 CA LEU A 42 -17.816 79.089 12.772 1.00 31.21 C ATOM 401 C LEU A 42 -18.996 78.178 12.454 1.00 30.25 C ATOM 402 O LEU A 42 -19.702 77.707 13.360 1.00 28.62 O ATOM 403 CB LEU A 42 -18.160 80.541 12.413 1.00 32.13 C ATOM 404 CG LEU A 42 -17.356 81.638 13.106 1.00 35.35 C ATOM 405 CD1 LEU A 42 -17.744 83.031 12.569 1.00 33.54 C ATOM 406 CD2 LEU A 42 -17.588 81.573 14.604 1.00 37.88 C ATOM 407 H LEU A 42 -16.139 79.335 11.411 1.00 0.00 H ATOM 408 N GLU A 43 -19.252 77.940 11.166 1.00 32.08 N ATOM 409 CA GLU A 43 -20.392 77.097 10.821 1.00 35.91 C ATOM 410 C GLU A 43 -20.244 75.700 11.419 1.00 34.00 C ATOM 411 O GLU A 43 -21.221 75.117 11.904 1.00 31.34 O ATOM 412 CB GLU A 43 -20.567 77.024 9.307 1.00 44.20 C ATOM 413 CG GLU A 43 -21.853 76.301 8.907 1.00 53.70 C ATOM 414 CD GLU A 43 -22.126 76.348 7.423 1.00 62.29 C ATOM 415 OE1 GLU A 43 -22.025 77.434 6.824 1.00 64.91 O ATOM 416 OE2 GLU A 43 -22.442 75.284 6.854 1.00 67.30 O ATOM 417 H GLU A 43 -18.650 78.348 10.422 1.00 0.00 H ATOM 418 N VAL A 44 -19.028 75.148 11.402 1.00 32.68 N ATOM 419 CA VAL A 44 -18.823 73.834 12.009 1.00 33.57 C ATOM 420 C VAL A 44 -19.131 73.881 13.501 1.00 32.12 C ATOM 421 O VAL A 44 -19.802 72.990 14.033 1.00 33.32 O ATOM 422 CB VAL A 44 -17.397 73.318 11.744 1.00 35.32 C ATOM 423 CG1 VAL A 44 -17.142 72.044 12.558 1.00 36.89 C ATOM 424 CG2 VAL A 44 -17.204 73.026 10.262 1.00 37.24 C ATOM 425 H VAL A 44 -18.232 75.650 10.960 1.00 0.00 H ATOM 426 N CYS A 45 -18.647 74.913 14.203 1.00 33.08 N ATOM 427 CA CYS A 45 -18.929 75.016 15.632 1.00 33.74 C ATOM 428 C CYS A 45 -20.433 75.034 15.893 1.00 34.34 C ATOM 429 O CYS A 45 -20.930 74.328 16.782 1.00 36.14 O ATOM 430 CB CYS A 45 -18.259 76.258 16.223 1.00 33.17 C ATOM 431 SG CYS A 45 -16.450 76.168 16.322 1.00 34.63 S ATOM 432 H CYS A 45 -18.071 75.640 13.732 1.00 0.00 H ATOM 433 N PHE A 46 -21.181 75.823 15.110 1.00 33.36 N ATOM 434 CA PHE A 46 -22.633 75.863 15.285 1.00 36.11 C ATOM 435 C PHE A 46 -23.275 74.516 14.953 1.00 38.50 C ATOM 436 O PHE A 46 -24.173 74.060 15.671 1.00 40.33 O ATOM 437 CB PHE A 46 -23.243 76.982 14.437 1.00 39.21 C ATOM 438 CG PHE A 46 -22.789 78.372 14.834 1.00 44.10 C ATOM 439 CD1 PHE A 46 -22.162 78.597 16.045 1.00 46.22 C ATOM 440 CD2 PHE A 46 -22.992 79.452 13.989 1.00 47.36 C ATOM 441 CE1 PHE A 46 -21.745 79.874 16.408 1.00 47.08 C ATOM 442 CE2 PHE A 46 -22.580 80.728 14.348 1.00 48.66 C ATOM 443 CZ PHE A 46 -21.954 80.936 15.557 1.00 47.63 C ATOM 444 H PHE A 46 -20.729 76.407 14.378 1.00 0.00 H ATOM 445 N MET A 47 -22.838 73.859 13.874 1.00 38.14 N ATOM 446 CA MET A 47 -23.372 72.534 13.566 1.00 40.58 C ATOM 447 C MET A 47 -23.069 71.555 14.686 1.00 38.66 C ATOM 448 O MET A 47 -23.924 70.758 15.080 1.00 38.76 O ATOM 449 CB MET A 47 -22.799 72.011 12.254 1.00 43.49 C ATOM 450 CG MET A 47 -23.309 72.722 11.037 1.00 46.29 C ATOM 451 SD MET A 47 -22.706 71.899 9.562 1.00 50.28 S ATOM 452 CE MET A 47 -23.626 70.362 9.629 1.00 54.00 C ATOM 453 H MET A 47 -22.121 74.289 13.256 1.00 0.00 H ATOM 454 N TYR A 48 -21.839 71.587 15.197 1.00 37.76 N ATOM 455 CA TYR A 48 -21.458 70.683 16.272 1.00 38.12 C ATOM 456 C TYR A 48 -22.401 70.833 17.462 1.00 40.03 C ATOM 457 O TYR A 48 -22.916 69.842 17.991 1.00 38.77 O ATOM 458 CB TYR A 48 -20.008 70.955 16.670 1.00 36.63 C ATOM 459 CG TYR A 48 -19.254 69.791 17.300 1.00 36.86 C ATOM 460 CD1 TYR A 48 -19.490 69.416 18.616 1.00 34.92 C ATOM 461 CD2 TYR A 48 -18.273 69.101 16.587 1.00 39.40 C ATOM 462 CE1 TYR A 48 -18.789 68.381 19.204 1.00 37.09 C ATOM 463 CE2 TYR A 48 -17.565 68.051 17.166 1.00 39.95 C ATOM 464 CZ TYR A 48 -17.826 67.703 18.478 1.00 40.45 C ATOM 465 OH TYR A 48 -17.137 66.677 19.076 1.00 45.79 O ATOM 466 HH TYR A 48 -16.169 66.886 19.076 1.00 0.00 H ATOM 467 H TYR A 48 -21.144 72.265 14.824 1.00 0.00 H ATOM 468 N SER A 49 -22.672 72.077 17.870 1.00 42.08 N ATOM 469 CA SER A 49 -23.516 72.313 19.036 1.00 48.05 C ATOM 470 C SER A 49 -24.962 71.885 18.807 1.00 53.48 C ATOM 471 O SER A 49 -25.673 71.628 19.783 1.00 54.73 O ATOM 472 CB SER A 49 -23.457 73.788 19.449 1.00 48.65 C ATOM 473 OG SER A 49 -24.049 74.637 18.481 1.00 49.17 O ATOM 474 HG SER A 49 -23.570 74.538 17.620 1.00 0.00 H ATOM 475 H SER A 49 -22.276 72.886 17.350 1.00 0.00 H ATOM 476 N ASP A 50 -25.409 71.793 17.553 1.00 57.82 N ATOM 477 CA ASP A 50 -26.724 71.238 17.243 1.00 65.07 C ATOM 478 C ASP A 50 -26.726 69.718 17.146 1.00 67.28 C ATOM 479 O ASP A 50 -27.781 69.136 16.871 1.00 69.58 O ATOM 480 CB ASP A 50 -27.252 71.819 15.928 1.00 70.54 C ATOM 481 CG ASP A 50 -27.732 73.245 16.075 1.00 75.57 C ATOM 482 OD1 ASP A 50 -28.128 73.622 17.198 1.00 77.78 O ATOM 483 OD2 ASP A 50 -27.713 73.990 15.069 1.00 77.03 O ATOM 484 H ASP A 50 -24.804 72.126 16.775 1.00 0.00 H ATOM 485 N GLY A 51 -25.585 69.061 17.370 1.00 66.68 N ATOM 486 CA GLY A 51 -25.483 67.643 17.077 1.00 68.62 C ATOM 487 C GLY A 51 -26.082 66.733 18.127 1.00 72.16 C ATOM 488 O GLY A 51 -26.565 65.646 17.799 1.00 74.11 O ATOM 489 H GLY A 51 -24.764 69.569 17.757 1.00 0.00 H ATOM 490 N GLY A 52 -26.058 67.140 19.384 1.00 73.66 N ATOM 491 CA GLY A 52 -26.564 66.320 20.466 1.00 77.27 C ATOM 492 C GLY A 52 -28.024 66.580 20.761 1.00 78.18 C ATOM 493 O GLY A 52 -28.815 66.931 19.879 1.00 79.69 O ATOM 494 H GLY A 52 -25.664 68.077 19.603 1.00 0.00 H ATOM 495 N SER A 53 -28.388 66.395 22.023 1.00 76.77 N ATOM 496 CA SER A 53 -29.707 66.773 22.490 1.00 75.95 C ATOM 497 C SER A 53 -29.749 68.271 22.779 1.00 76.48 C ATOM 498 O SER A 53 -28.716 68.930 22.937 1.00 74.39 O ATOM 499 CB SER A 53 -30.069 65.993 23.750 1.00 74.34 C ATOM 500 OG SER A 53 -29.239 66.396 24.825 1.00 70.93 O ATOM 501 HG SER A 53 -29.481 65.885 25.637 1.00 0.00 H ATOM 502 H SER A 53 -27.713 65.970 22.691 1.00 0.00 H ATOM 503 N LYS A 54 -30.963 68.812 22.840 1.00 79.37 N ATOM 504 CA LYS A 54 -31.121 70.193 23.267 1.00 79.57 C ATOM 505 C LYS A 54 -30.484 70.365 24.637 1.00 77.88 C ATOM 506 O LYS A 54 -30.717 69.566 25.546 1.00 81.83 O ATOM 507 CB LYS A 54 -32.602 70.574 23.309 1.00 82.79 C ATOM 508 H LYS A 54 -31.798 68.248 22.583 1.00 0.00 H ATOM 509 N HIS A 55 -29.644 71.382 24.769 1.00 71.67 N ATOM 510 CA HIS A 55 -28.971 71.725 26.017 1.00 67.18 C ATOM 511 C HIS A 55 -27.714 70.901 26.278 1.00 59.97 C ATOM 512 O HIS A 55 -27.133 71.026 27.366 1.00 57.67 O ATOM 513 CB HIS A 55 -29.895 71.580 27.232 1.00 71.53 C ATOM 514 CG HIS A 55 -31.164 72.367 27.128 1.00 74.69 C ATOM 515 ND1 HIS A 55 -32.400 71.772 26.996 1.00 77.98 N ATOM 516 CD2 HIS A 55 -31.389 73.702 27.140 1.00 74.16 C ATOM 517 CE1 HIS A 55 -33.332 72.706 26.929 1.00 78.36 C ATOM 518 NE2 HIS A 55 -32.745 73.886 27.014 1.00 75.90 N ATOM 519 H HIS A 55 -29.453 71.970 23.933 1.00 0.00 H ATOM 520 N ARG A 56 -27.267 70.057 25.346 1.00 55.03 N ATOM 521 CA ARG A 56 -26.047 69.306 25.622 1.00 50.80 C ATOM 522 C ARG A 56 -24.807 70.195 25.555 1.00 45.96 C ATOM 523 O ARG A 56 -23.856 69.999 26.324 1.00 44.99 O ATOM 524 CB ARG A 56 -25.886 68.134 24.660 1.00 51.02 C ATOM 525 CG ARG A 56 -24.464 67.618 24.721 1.00 50.59 C ATOM 526 CD ARG A 56 -24.276 66.234 24.174 1.00 53.45 C ATOM 527 NE ARG A 56 -22.945 65.759 24.531 1.00 53.25 N ATOM 528 CZ ARG A 56 -22.429 64.600 24.144 1.00 54.71 C ATOM 529 NH1 ARG A 56 -23.135 63.776 23.379 1.00 57.59 N ATOM 530 NH2 ARG A 56 -21.206 64.266 24.527 1.00 53.84 N ATOM 531 HE ARG A 56 -22.358 66.372 25.132 1.00 0.00 H ATOM 532 HH12 ARG A 56 -22.727 62.868 23.078 1.00 0.00 H ATOM 533 HH11 ARG A 56 -24.096 64.038 23.081 1.00 0.00 H ATOM 534 HH22 ARG A 56 -20.797 63.358 24.226 1.00 0.00 H ATOM 535 HH21 ARG A 56 -20.655 64.911 25.128 1.00 0.00 H ATOM 536 H ARG A 56 -27.775 69.938 24.446 1.00 0.00 H ATOM 537 N PHE A 57 -24.783 71.166 24.642 1.00 42.91 N ATOM 538 CA PHE A 57 -23.602 71.990 24.447 1.00 41.34 C ATOM 539 C PHE A 57 -23.884 73.445 24.790 1.00 42.17 C ATOM 540 O PHE A 57 -25.009 73.943 24.639 1.00 44.39 O ATOM 541 CB PHE A 57 -23.085 71.915 23.008 1.00 39.74 C ATOM 542 CG PHE A 57 -22.652 70.548 22.594 1.00 40.83 C ATOM 543 CD1 PHE A 57 -21.437 70.032 23.017 1.00 41.29 C ATOM 544 CD2 PHE A 57 -23.454 69.779 21.772 1.00 42.79 C ATOM 545 CE1 PHE A 57 -21.035 68.754 22.640 1.00 43.88 C ATOM 546 CE2 PHE A 57 -23.058 68.499 21.390 1.00 45.60 C ATOM 547 CZ PHE A 57 -21.845 67.992 21.823 1.00 44.93 C ATOM 548 H PHE A 57 -25.626 71.337 24.058 1.00 0.00 H ATOM 549 N GLU A 58 -22.840 74.109 25.273 1.00 40.05 N ATOM 550 CA GLU A 58 -22.769 75.562 25.339 1.00 40.02 C ATOM 551 C GLU A 58 -21.791 76.037 24.270 1.00 38.79 C ATOM 552 O GLU A 58 -20.674 75.511 24.170 1.00 37.68 O ATOM 553 CB GLU A 58 -22.319 76.031 26.723 1.00 41.78 C ATOM 554 CG GLU A 58 -22.677 77.486 27.021 1.00 44.24 C ATOM 555 CD GLU A 58 -24.168 77.688 27.218 1.00 47.03 C ATOM 556 OE1 GLU A 58 -24.754 77.039 28.108 1.00 49.20 O ATOM 557 OE2 GLU A 58 -24.758 78.483 26.470 1.00 47.36 O ATOM 558 H GLU A 58 -22.028 73.561 25.623 1.00 0.00 H ATOM 559 N ILE A 59 -22.221 77.007 23.460 1.00 38.52 N ATOM 560 CA ILE A 59 -21.373 77.589 22.425 1.00 39.27 C ATOM 561 C ILE A 59 -20.586 78.739 23.035 1.00 36.97 C ATOM 562 O ILE A 59 -21.166 79.639 23.652 1.00 37.28 O ATOM 563 CB ILE A 59 -22.208 78.078 21.229 1.00 43.27 C ATOM 564 CG1 ILE A 59 -23.137 76.973 20.720 1.00 47.79 C ATOM 565 CG2 ILE A 59 -21.295 78.556 20.096 1.00 42.25 C ATOM 566 CD1 ILE A 59 -23.918 77.363 19.475 1.00 49.11 C ATOM 567 H ILE A 59 -23.193 77.360 23.570 1.00 0.00 H ATOM 568 N ILE A 60 -19.267 78.702 22.873 1.00 33.93 N ATOM 569 CA ILE A 60 -18.382 79.754 23.338 1.00 32.12 C ATOM 570 C ILE A 60 -17.839 80.578 22.178 1.00 31.61 C ATOM 571 O ILE A 60 -17.745 81.805 22.268 1.00 29.63 O ATOM 572 CB ILE A 60 -17.229 79.156 24.172 1.00 31.48 C ATOM 573 CG1 ILE A 60 -17.775 78.417 25.398 1.00 34.13 C ATOM 574 CG2 ILE A 60 -16.248 80.236 24.590 1.00 30.59 C ATOM 575 CD1 ILE A 60 -16.753 77.474 25.991 1.00 36.63 C ATOM 576 H ILE A 60 -18.850 77.881 22.390 1.00 0.00 H ATOM 577 N GLU A 61 -17.465 79.913 21.089 1.00 32.16 N ATOM 578 CA GLU A 61 -17.052 80.599 19.876 1.00 33.72 C ATOM 579 C GLU A 61 -18.186 81.494 19.372 1.00 33.09 C ATOM 580 O GLU A 61 -19.370 81.216 19.584 1.00 31.52 O ATOM 581 CB GLU A 61 -16.648 79.560 18.818 1.00 33.37 C ATOM 582 CG GLU A 61 -16.071 80.131 17.534 1.00 34.15 C ATOM 583 CD GLU A 61 -14.822 80.958 17.767 1.00 33.47 C ATOM 584 OE1 GLU A 61 -13.702 80.382 17.767 1.00 30.70 O ATOM 585 OE2 GLU A 61 -14.965 82.189 17.963 1.00 36.47 O ATOM 586 H GLU A 61 -17.468 78.873 21.106 1.00 0.00 H ATOM 587 N GLY A 62 -17.819 82.599 18.723 1.00 34.35 N ATOM 588 CA GLY A 62 -18.806 83.496 18.159 1.00 33.76 C ATOM 589 C GLY A 62 -19.373 84.526 19.118 1.00 34.82 C ATOM 590 O GLY A 62 -20.255 85.293 18.722 1.00 35.63 O ATOM 591 H GLY A 62 -16.808 82.820 18.620 1.00 0.00 H ATOM 592 N ARG A 63 -18.913 84.558 20.362 1.00 31.99 N ATOM 593 CA ARG A 63 -19.317 85.567 21.325 1.00 29.20 C ATOM 594 C ARG A 63 -18.221 86.614 21.441 1.00 29.21 C ATOM 595 O ARG A 63 -17.048 86.324 21.196 1.00 27.92 O ATOM 596 CB ARG A 63 -19.564 84.932 22.689 1.00 29.91 C ATOM 597 CG ARG A 63 -20.541 83.760 22.662 1.00 32.41 C ATOM 598 CD ARG A 63 -20.816 83.326 24.084 1.00 34.69 C ATOM 599 NE ARG A 63 -21.755 82.226 24.169 1.00 36.62 N ATOM 600 CZ ARG A 63 -23.068 82.372 24.292 1.00 39.81 C ATOM 601 NH1 ARG A 63 -23.609 83.587 24.340 1.00 38.21 N ATOM 602 NH2 ARG A 63 -23.839 81.296 24.362 1.00 41.79 N ATOM 603 HE ARG A 63 -21.375 81.259 24.131 1.00 0.00 H ATOM 604 HH12 ARG A 63 -24.639 83.694 24.437 1.00 0.00 H ATOM 605 HH11 ARG A 63 -23.002 84.429 24.281 1.00 0.00 H ATOM 606 HH22 ARG A 63 -24.869 81.400 24.458 1.00 0.00 H ATOM 607 HH21 ARG A 63 -23.414 80.348 24.320 1.00 0.00 H ATOM 608 H ARG A 63 -18.234 83.829 20.660 1.00 0.00 H ATOM 609 N ASP A 64 -18.597 87.833 21.822 1.00 26.70 N ATOM 610 CA ASP A 64 -17.553 88.797 22.132 1.00 30.30 C ATOM 611 C ASP A 64 -16.768 88.306 23.341 1.00 27.78 C ATOM 612 O ASP A 64 -17.218 87.446 24.102 1.00 28.89 O ATOM 613 CB ASP A 64 -18.128 90.194 22.384 1.00 34.80 C ATOM 614 CG ASP A 64 -19.001 90.253 23.627 1.00 42.44 C ATOM 615 OD1 ASP A 64 -18.464 90.339 24.753 1.00 44.57 O ATOM 616 OD2 ASP A 64 -20.241 90.213 23.472 1.00 46.75 O ATOM 617 H ASP A 64 -19.603 88.087 21.895 1.00 0.00 H ATOM 618 N ARG A 65 -15.576 88.866 23.514 1.00 26.71 N ATOM 619 CA ARG A 65 -14.625 88.289 24.462 1.00 27.95 C ATOM 620 C ARG A 65 -15.155 88.311 25.888 1.00 26.86 C ATOM 621 O ARG A 65 -14.947 87.357 26.644 1.00 24.97 O ATOM 622 CB ARG A 65 -13.296 89.032 24.379 1.00 29.78 C ATOM 623 CG ARG A 65 -12.560 88.789 23.089 1.00 31.24 C ATOM 624 CD ARG A 65 -11.408 89.776 22.946 1.00 34.87 C ATOM 625 NE ARG A 65 -10.696 89.577 21.691 1.00 38.80 N ATOM 626 CZ ARG A 65 -11.135 90.004 20.512 1.00 41.93 C ATOM 627 NH1 ARG A 65 -12.287 90.658 20.429 1.00 40.12 N ATOM 628 NH2 ARG A 65 -10.420 89.775 19.415 1.00 45.59 N ATOM 629 HE ARG A 65 -9.789 89.070 21.720 1.00 0.00 H ATOM 630 HH12 ARG A 65 -12.630 90.992 19.506 1.00 0.00 H ATOM 631 HH11 ARG A 65 -12.847 90.836 21.287 1.00 0.00 H ATOM 632 HH22 ARG A 65 -10.763 90.109 18.492 1.00 0.00 H ATOM 633 HH21 ARG A 65 -9.518 89.262 19.480 1.00 0.00 H ATOM 634 H ARG A 65 -15.319 89.717 22.974 1.00 0.00 H ATOM 635 N ILE A 66 -15.813 89.401 26.290 1.00 24.21 N ATOM 636 CA ILE A 66 -16.273 89.487 27.675 1.00 25.55 C ATOM 637 C ILE A 66 -17.352 88.437 27.956 1.00 25.00 C ATOM 638 O ILE A 66 -17.326 87.765 28.992 1.00 25.13 O ATOM 639 CB ILE A 66 -16.765 90.911 27.993 1.00 26.51 C ATOM 640 CG1 ILE A 66 -15.574 91.880 28.070 1.00 27.97 C ATOM 641 CG2 ILE A 66 -17.555 90.912 29.310 1.00 27.25 C ATOM 642 CD1 ILE A 66 -15.986 93.356 28.253 1.00 30.39 C ATOM 643 H ILE A 66 -15.996 90.180 25.626 1.00 0.00 H ATOM 644 N MET A 67 -18.316 88.284 27.043 1.00 25.17 N ATOM 645 CA MET A 67 -19.365 87.283 27.227 1.00 24.69 C ATOM 646 C MET A 67 -18.800 85.870 27.156 1.00 26.71 C ATOM 647 O MET A 67 -19.213 84.989 27.926 1.00 27.51 O ATOM 648 CB MET A 67 -20.461 87.479 26.181 1.00 25.75 C ATOM 649 CG MET A 67 -21.290 88.757 26.426 1.00 31.95 C ATOM 650 SD MET A 67 -22.073 88.711 28.067 1.00 39.75 S ATOM 651 CE MET A 67 -22.610 86.990 28.127 1.00 35.66 C ATOM 652 H MET A 67 -18.320 88.883 26.193 1.00 0.00 H ATOM 653 N ALA A 68 -17.855 85.636 26.240 1.00 24.33 N ATOM 654 CA ALA A 68 -17.250 84.313 26.122 1.00 26.96 C ATOM 655 C ALA A 68 -16.580 83.900 27.426 1.00 27.72 C ATOM 656 O ALA A 68 -16.751 82.767 27.890 1.00 26.82 O ATOM 657 CB ALA A 68 -16.248 84.286 24.965 1.00 27.37 C ATOM 658 H ALA A 68 -17.549 86.402 25.607 1.00 0.00 H ATOM 659 N TRP A 69 -15.823 84.814 28.046 1.00 26.82 N ATOM 660 CA TRP A 69 -15.166 84.480 29.310 1.00 29.12 C ATOM 661 C TRP A 69 -16.156 84.418 30.463 1.00 28.76 C ATOM 662 O TRP A 69 -15.929 83.682 31.430 1.00 28.86 O ATOM 663 CB TRP A 69 -14.056 85.487 29.633 1.00 30.71 C ATOM 664 CG TRP A 69 -12.775 85.172 28.935 1.00 33.15 C ATOM 665 CD1 TRP A 69 -12.202 85.872 27.908 1.00 33.75 C ATOM 666 CD2 TRP A 69 -11.915 84.048 29.188 1.00 33.81 C ATOM 667 NE1 TRP A 69 -11.028 85.261 27.518 1.00 34.34 N ATOM 668 CE2 TRP A 69 -10.830 84.141 28.287 1.00 35.44 C ATOM 669 CE3 TRP A 69 -11.946 82.990 30.100 1.00 34.87 C ATOM 670 CZ2 TRP A 69 -9.790 83.207 28.267 1.00 37.95 C ATOM 671 CZ3 TRP A 69 -10.910 82.052 30.077 1.00 38.02 C ATOM 672 CH2 TRP A 69 -9.848 82.172 29.166 1.00 38.31 C ATOM 673 HE1 TRP A 69 -10.395 85.595 26.763 1.00 0.00 H ATOM 674 H TRP A 69 -15.702 85.759 27.630 1.00 0.00 H ATOM 675 N THR A 70 -17.236 85.202 30.405 1.00 27.84 N ATOM 676 CA THR A 70 -18.270 85.071 31.426 1.00 30.99 C ATOM 677 C THR A 70 -18.899 83.683 31.375 1.00 31.87 C ATOM 678 O THR A 70 -19.182 83.080 32.419 1.00 33.82 O ATOM 679 CB THR A 70 -19.326 86.166 31.258 1.00 32.09 C ATOM 680 OG1 THR A 70 -18.680 87.446 31.233 1.00 31.97 O ATOM 681 CG2 THR A 70 -20.314 86.139 32.421 1.00 33.40 C ATOM 682 HG1 THR A 70 -18.044 87.479 30.475 1.00 0.00 H ATOM 683 H THR A 70 -17.339 85.899 29.640 1.00 0.00 H ATOM 684 N VAL A 71 -19.083 83.141 30.168 1.00 30.60 N ATOM 685 CA VAL A 71 -19.579 81.770 30.037 1.00 31.79 C ATOM 686 C VAL A 71 -18.558 80.771 30.576 1.00 30.77 C ATOM 687 O VAL A 71 -18.889 79.893 31.383 1.00 32.58 O ATOM 688 CB VAL A 71 -19.943 81.462 28.573 1.00 32.37 C ATOM 689 CG1 VAL A 71 -20.285 79.990 28.416 1.00 33.71 C ATOM 690 CG2 VAL A 71 -21.106 82.331 28.134 1.00 31.09 C ATOM 691 H VAL A 71 -18.872 83.697 29.315 1.00 0.00 H ATOM 692 N VAL A 72 -17.297 80.897 30.153 1.00 30.13 N ATOM 693 CA VAL A 72 -16.275 79.959 30.612 1.00 33.26 C ATOM 694 C VAL A 72 -16.149 80.003 32.131 1.00 37.63 C ATOM 695 O VAL A 72 -16.212 78.969 32.806 1.00 39.07 O ATOM 696 CB VAL A 72 -14.927 80.241 29.926 1.00 34.12 C ATOM 697 CG1 VAL A 72 -13.810 79.471 30.629 1.00 36.75 C ATOM 698 CG2 VAL A 72 -14.995 79.860 28.456 1.00 31.36 C ATOM 699 H VAL A 72 -17.043 81.663 29.497 1.00 0.00 H ATOM 700 N ASN A 73 -15.965 81.201 32.693 1.00 38.46 N ATOM 701 CA ASN A 73 -15.772 81.306 34.137 1.00 40.95 C ATOM 702 C ASN A 73 -16.995 80.799 34.893 1.00 40.68 C ATOM 703 O ASN A 73 -16.865 80.136 35.929 1.00 42.20 O ATOM 704 CB ASN A 73 -15.442 82.754 34.522 1.00 42.21 C ATOM 705 CG ASN A 73 -14.029 83.154 34.125 1.00 44.03 C ATOM 706 OD1 ASN A 73 -13.114 82.322 34.114 1.00 44.95 O ATOM 707 ND2 ASN A 73 -13.843 84.428 33.782 1.00 44.40 N ATOM 708 HD22 ASN A 73 -14.641 85.095 33.805 1.00 0.00 H ATOM 709 HD21 ASN A 73 -12.900 84.756 33.491 1.00 0.00 H ATOM 710 H ASN A 73 -15.959 82.058 32.103 1.00 0.00 H ATOM 711 N SER A 74 -18.192 81.085 34.382 1.00 39.37 N ATOM 712 CA SER A 74 -19.409 80.559 34.993 1.00 41.06 C ATOM 713 C SER A 74 -19.387 79.033 35.035 1.00 42.07 C ATOM 714 O SER A 74 -19.637 78.421 36.081 1.00 41.51 O ATOM 715 CB SER A 74 -20.630 81.067 34.222 1.00 43.00 C ATOM 716 OG SER A 74 -21.839 80.496 34.706 1.00 46.36 O ATOM 717 HG SER A 74 -22.602 80.849 34.183 1.00 0.00 H ATOM 718 H SER A 74 -18.260 81.690 33.539 1.00 0.00 H ATOM 719 N ILE A 75 -19.108 78.400 33.894 1.00 42.34 N ATOM 720 CA ILE A 75 -19.075 76.941 33.846 1.00 45.65 C ATOM 721 C ILE A 75 -18.047 76.403 34.831 1.00 49.42 C ATOM 722 O ILE A 75 -18.300 75.426 35.549 1.00 50.65 O ATOM 723 CB ILE A 75 -18.786 76.465 32.409 1.00 43.52 C ATOM 724 CG1 ILE A 75 -19.983 76.757 31.502 1.00 40.07 C ATOM 725 CG2 ILE A 75 -18.422 74.981 32.401 1.00 46.35 C ATOM 726 CD1 ILE A 75 -19.645 76.736 30.024 1.00 36.68 C ATOM 727 H ILE A 75 -18.913 78.950 33.033 1.00 0.00 H ATOM 728 N CYS A 76 -16.873 77.038 34.887 1.00 50.93 N ATOM 729 CA CYS A 76 -15.831 76.580 35.797 1.00 54.81 C ATOM 730 C CYS A 76 -16.284 76.669 37.251 1.00 60.56 C ATOM 731 O CYS A 76 -15.947 75.803 38.068 1.00 61.66 O ATOM 732 CB CYS A 76 -14.551 77.384 35.570 1.00 53.12 C ATOM 733 SG CYS A 76 -13.732 77.023 33.985 1.00 50.55 S ATOM 734 H CYS A 76 -16.702 77.863 34.278 1.00 0.00 H ATOM 735 N ASN A 77 -17.056 77.702 37.594 1.00 64.84 N ATOM 736 CA ASN A 77 -17.546 77.822 38.963 1.00 72.46 C ATOM 737 C ASN A 77 -18.697 76.868 39.250 1.00 74.40 C ATOM 738 O ASN A 77 -18.888 76.467 40.403 1.00 77.27 O ATOM 739 CB ASN A 77 -17.981 79.260 39.247 1.00 75.96 C ATOM 740 CG ASN A 77 -16.829 80.235 39.181 1.00 79.32 C ATOM 741 OD1 ASN A 77 -15.692 79.888 39.500 1.00 81.98 O ATOM 742 ND2 ASN A 77 -17.115 81.465 38.764 1.00 78.72 N ATOM 743 HD22 ASN A 77 -18.091 81.712 38.505 1.00 0.00 H ATOM 744 HD21 ASN A 77 -16.362 82.180 38.697 1.00 0.00 H ATOM 745 H ASN A 77 -17.308 78.421 36.886 1.00 0.00 H ATOM 746 N THR A 78 -19.468 76.496 38.231 1.00 73.13 N ATOM 747 CA THR A 78 -20.628 75.640 38.438 1.00 74.04 C ATOM 748 C THR A 78 -20.286 74.157 38.413 1.00 74.02 C ATOM 749 O THR A 78 -21.009 73.356 39.017 1.00 77.42 O ATOM 750 CB THR A 78 -21.699 75.931 37.381 1.00 73.07 C ATOM 751 OG1 THR A 78 -22.270 77.220 37.624 1.00 72.55 O ATOM 752 CG2 THR A 78 -22.800 74.879 37.428 1.00 75.06 C ATOM 753 HG1 THR A 78 -21.560 77.909 37.574 1.00 0.00 H ATOM 754 H THR A 78 -19.238 76.822 37.271 1.00 0.00 H ATOM 755 N THR A 79 -19.204 73.768 37.735 1.00 69.69 N ATOM 756 CA THR A 79 -18.848 72.364 37.595 1.00 67.70 C ATOM 757 C THR A 79 -17.478 72.013 38.155 1.00 67.30 C ATOM 758 O THR A 79 -17.173 70.823 38.277 1.00 68.67 O ATOM 759 CB THR A 79 -18.894 71.941 36.118 1.00 64.85 C ATOM 760 OG1 THR A 79 -17.935 72.703 35.377 1.00 62.50 O ATOM 761 CG2 THR A 79 -20.285 72.167 35.533 1.00 63.33 C ATOM 762 HG1 THR A 79 -18.151 73.666 35.453 1.00 0.00 H ATOM 763 H THR A 79 -18.598 74.489 37.294 1.00 0.00 H ATOM 764 N GLY A 80 -16.643 72.995 38.479 1.00 66.54 N ATOM 765 CA GLY A 80 -15.355 72.736 39.081 1.00 68.82 C ATOM 766 C GLY A 80 -14.223 72.423 38.123 1.00 69.67 C ATOM 767 O GLY A 80 -13.072 72.333 38.570 1.00 70.73 O ATOM 768 H GLY A 80 -16.925 73.979 38.294 1.00 0.00 H ATOM 769 N VAL A 81 -14.498 72.254 36.824 1.00 69.61 N ATOM 770 CA VAL A 81 -13.413 71.943 35.893 1.00 70.39 C ATOM 771 C VAL A 81 -12.414 73.103 35.859 1.00 69.75 C ATOM 772 O VAL A 81 -12.732 74.251 36.200 1.00 68.18 O ATOM 773 CB VAL A 81 -13.946 71.634 34.485 1.00 69.34 C ATOM 774 CG1 VAL A 81 -15.288 70.914 34.565 1.00 70.07 C ATOM 775 CG2 VAL A 81 -14.048 72.904 33.654 1.00 66.88 C ATOM 776 H VAL A 81 -15.475 72.343 36.479 1.00 0.00 H ATOM 777 N GLU A 82 -11.186 72.791 35.449 1.00 71.47 N ATOM 778 CA GLU A 82 -10.134 73.797 35.437 1.00 73.58 C ATOM 779 C GLU A 82 -10.396 74.839 34.356 1.00 67.53 C ATOM 780 O GLU A 82 -10.899 74.526 33.273 1.00 64.83 O ATOM 781 CB GLU A 82 -8.766 73.146 35.229 1.00 82.45 C ATOM 782 CG GLU A 82 -8.174 72.528 36.493 1.00 93.33 C ATOM 783 CD GLU A 82 -8.080 71.012 36.424 1.00102.48 C ATOM 784 OE1 GLU A 82 -7.961 70.473 35.302 1.00104.30 O ATOM 785 OE2 GLU A 82 -8.126 70.359 37.491 1.00107.33 O ATOM 786 H GLU A 82 -10.977 71.822 35.135 1.00 0.00 H ATOM 787 N LYS A 83 -10.060 76.089 34.664 1.00 65.57 N ATOM 788 CA LYS A 83 -10.246 77.186 33.723 1.00 63.45 C ATOM 789 C LYS A 83 -9.169 77.136 32.646 1.00 62.77 C ATOM 790 O LYS A 83 -7.978 77.089 32.971 1.00 64.87 O ATOM 791 CB LYS A 83 -10.199 78.526 34.450 1.00 64.17 C ATOM 792 CG LYS A 83 -10.169 79.735 33.533 1.00 63.48 C ATOM 793 CD LYS A 83 -10.053 81.027 34.335 1.00 64.95 C ATOM 794 CE LYS A 83 -9.798 82.227 33.429 1.00 64.26 C ATOM 795 NZ LYS A 83 -9.968 83.512 34.158 1.00 64.25 N ATOM 796 HZ1 LYS A 83 -10.940 83.577 34.522 1.00 0.00 H ATOM 797 HZ2 LYS A 83 -9.296 83.551 34.951 1.00 0.00 H ATOM 798 HZ3 LYS A 83 -9.786 84.304 33.509 1.00 0.00 H ATOM 799 H LYS A 83 -9.654 76.288 35.601 1.00 0.00 H ATOM 800 N PRO A 84 -9.539 77.142 31.369 1.00 59.57 N ATOM 801 CA PRO A 84 -8.530 77.077 30.307 1.00 57.77 C ATOM 802 C PRO A 84 -7.797 78.399 30.142 1.00 56.32 C ATOM 803 O PRO A 84 -8.261 79.463 30.560 1.00 55.32 O ATOM 804 CB PRO A 84 -9.348 76.740 29.058 1.00 55.88 C ATOM 805 CG PRO A 84 -10.696 77.290 29.351 1.00 55.26 C ATOM 806 CD PRO A 84 -10.909 77.118 30.832 1.00 57.35 C ATOM 807 N LYS A 85 -6.627 78.313 29.505 1.00 56.58 N ATOM 808 CA LYS A 85 -5.822 79.502 29.250 1.00 57.75 C ATOM 809 C LYS A 85 -6.337 80.284 28.044 1.00 56.02 C ATOM 810 O LYS A 85 -6.301 81.520 28.046 1.00 57.16 O ATOM 811 CB LYS A 85 -4.356 79.111 29.053 1.00 59.03 C ATOM 812 H LYS A 85 -6.285 77.384 29.186 1.00 0.00 H ATOM 813 N PHE A 86 -6.808 79.586 27.011 1.00 53.37 N ATOM 814 CA PHE A 86 -7.398 80.194 25.826 1.00 51.65 C ATOM 815 C PHE A 86 -8.890 79.892 25.782 1.00 45.71 C ATOM 816 O PHE A 86 -9.344 78.878 26.315 1.00 47.25 O ATOM 817 CB PHE A 86 -6.759 79.666 24.537 1.00 58.69 C ATOM 818 CG PHE A 86 -5.276 79.838 24.473 1.00 68.31 C ATOM 819 CD1 PHE A 86 -4.431 78.900 25.045 1.00 74.02 C ATOM 820 CD2 PHE A 86 -4.720 80.931 23.827 1.00 71.50 C ATOM 821 CE1 PHE A 86 -3.060 79.055 24.984 1.00 77.95 C ATOM 822 CE2 PHE A 86 -3.350 81.090 23.758 1.00 75.37 C ATOM 823 CZ PHE A 86 -2.519 80.152 24.338 1.00 78.11 C ATOM 824 H PHE A 86 -6.751 78.548 27.053 1.00 0.00 H ATOM 825 N LEU A 87 -9.649 80.754 25.126 1.00 38.61 N ATOM 826 CA LEU A 87 -11.062 80.468 24.937 1.00 37.01 C ATOM 827 C LEU A 87 -11.227 79.201 24.099 1.00 35.75 C ATOM 828 O LEU A 87 -10.685 79.134 22.984 1.00 34.17 O ATOM 829 CB LEU A 87 -11.754 81.643 24.260 1.00 34.38 C ATOM 830 CG LEU A 87 -12.124 82.843 25.135 1.00 34.10 C ATOM 831 CD1 LEU A 87 -12.671 83.971 24.254 1.00 32.92 C ATOM 832 CD2 LEU A 87 -13.148 82.443 26.195 1.00 34.19 C ATOM 833 H LEU A 87 -9.238 81.631 24.748 1.00 0.00 H ATOM 834 N PRO A 88 -11.939 78.167 24.591 1.00 37.50 N ATOM 835 CA PRO A 88 -12.255 77.025 23.724 1.00 37.07 C ATOM 836 C PRO A 88 -13.461 77.345 22.853 1.00 32.73 C ATOM 837 O PRO A 88 -13.911 78.496 22.832 1.00 29.81 O ATOM 838 CB PRO A 88 -12.548 75.885 24.715 1.00 40.66 C ATOM 839 CG PRO A 88 -12.501 76.500 26.097 1.00 41.60 C ATOM 840 CD PRO A 88 -12.524 77.997 25.928 1.00 39.54 C ATOM 841 N ASP A 89 -14.004 76.354 22.144 1.00 30.84 N ATOM 842 CA ASP A 89 -15.112 76.599 21.225 1.00 29.42 C ATOM 843 C ASP A 89 -16.470 76.209 21.788 1.00 29.68 C ATOM 844 O ASP A 89 -17.465 76.891 21.514 1.00 27.97 O ATOM 845 CB ASP A 89 -14.883 75.848 19.914 1.00 30.43 C ATOM 846 CG ASP A 89 -13.716 76.411 19.122 1.00 29.98 C ATOM 847 OD1 ASP A 89 -13.539 77.642 19.134 1.00 27.60 O ATOM 848 OD2 ASP A 89 -12.979 75.618 18.512 1.00 30.64 O ATOM 849 H ASP A 89 -13.631 75.389 22.248 1.00 0.00 H ATOM 850 N LEU A 90 -16.538 75.114 22.546 1.00 30.12 N ATOM 851 CA LEU A 90 -17.783 74.645 23.137 1.00 33.95 C ATOM 852 C LEU A 90 -17.494 74.126 24.535 1.00 33.89 C ATOM 853 O LEU A 90 -16.342 73.863 24.895 1.00 34.29 O ATOM 854 CB LEU A 90 -18.431 73.527 22.307 1.00 39.52 C ATOM 855 CG LEU A 90 -18.678 73.776 20.823 1.00 43.96 C ATOM 856 CD1 LEU A 90 -18.827 72.454 20.101 1.00 48.84 C ATOM 857 CD2 LEU A 90 -19.916 74.625 20.634 1.00 43.46 C ATOM 858 H LEU A 90 -15.667 74.574 22.722 1.00 0.00 H ATOM 859 N TYR A 91 -18.560 73.972 25.322 1.00 33.71 N ATOM 860 CA TYR A 91 -18.537 73.132 26.513 1.00 36.30 C ATOM 861 C TYR A 91 -19.574 72.026 26.372 1.00 38.63 C ATOM 862 O TYR A 91 -20.699 72.269 25.922 1.00 39.57 O ATOM 863 CB TYR A 91 -18.810 73.934 27.782 1.00 38.40 C ATOM 864 CG TYR A 91 -18.714 73.116 29.050 1.00 42.13 C ATOM 865 CD1 TYR A 91 -17.479 72.808 29.607 1.00 43.13 C ATOM 866 CD2 TYR A 91 -19.862 72.656 29.698 1.00 43.37 C ATOM 867 CE1 TYR A 91 -17.389 72.059 30.770 1.00 45.68 C ATOM 868 CE2 TYR A 91 -19.782 71.912 30.862 1.00 45.40 C ATOM 869 CZ TYR A 91 -18.544 71.619 31.391 1.00 46.68 C ATOM 870 OH TYR A 91 -18.452 70.889 32.543 1.00 49.64 O ATOM 871 HH TYR A 91 -17.499 70.771 32.782 1.00 0.00 H ATOM 872 H TYR A 91 -19.440 74.470 25.077 1.00 0.00 H ATOM 873 N ASP A 92 -19.190 70.812 26.772 1.00 39.39 N ATOM 874 CA ASP A 92 -20.045 69.630 26.687 1.00 40.16 C ATOM 875 C ASP A 92 -20.555 69.308 28.090 1.00 41.94 C ATOM 876 O ASP A 92 -19.789 68.839 28.939 1.00 42.70 O ATOM 877 CB ASP A 92 -19.264 68.458 26.090 1.00 39.52 C ATOM 878 CG ASP A 92 -20.096 67.192 25.944 1.00 42.44 C ATOM 879 OD1 ASP A 92 -21.211 67.107 26.508 1.00 42.88 O ATOM 880 OD2 ASP A 92 -19.629 66.273 25.234 1.00 41.45 O ATOM 881 H ASP A 92 -18.233 70.702 27.164 1.00 0.00 H ATOM 882 N TYR A 93 -21.848 69.562 28.332 1.00 43.23 N ATOM 883 CA TYR A 93 -22.419 69.326 29.658 1.00 47.47 C ATOM 884 C TYR A 93 -22.510 67.842 29.993 1.00 52.93 C ATOM 885 O TYR A 93 -22.475 67.475 31.174 1.00 56.53 O ATOM 886 CB TYR A 93 -23.805 69.965 29.765 1.00 48.36 C ATOM 887 CG TYR A 93 -23.774 71.470 29.862 1.00 47.35 C ATOM 888 CD1 TYR A 93 -23.309 72.101 31.009 1.00 48.24 C ATOM 889 CD2 TYR A 93 -24.205 72.265 28.803 1.00 46.50 C ATOM 890 CE1 TYR A 93 -23.270 73.491 31.097 1.00 48.01 C ATOM 891 CE2 TYR A 93 -24.168 73.648 28.884 1.00 46.55 C ATOM 892 CZ TYR A 93 -23.704 74.251 30.034 1.00 47.13 C ATOM 893 OH TYR A 93 -23.672 75.620 30.109 1.00 48.23 O ATOM 894 HH TYR A 93 -24.589 75.977 29.997 1.00 0.00 H ATOM 895 H TYR A 93 -22.452 69.931 27.570 1.00 0.00 H ATOM 896 N LYS A 94 -22.640 66.980 28.980 1.00 53.44 N ATOM 897 CA LYS A 94 -22.719 65.543 29.230 1.00 56.08 C ATOM 898 C LYS A 94 -21.377 64.991 29.702 1.00 56.28 C ATOM 899 O LYS A 94 -21.303 64.304 30.726 1.00 58.67 O ATOM 900 CB LYS A 94 -23.193 64.816 27.971 1.00 56.53 C ATOM 901 H LYS A 94 -22.685 67.336 28.004 1.00 0.00 H ATOM 902 N GLU A 95 -20.301 65.289 28.973 1.00 54.47 N ATOM 903 CA GLU A 95 -18.974 64.818 29.343 1.00 56.44 C ATOM 904 C GLU A 95 -18.245 65.754 30.297 1.00 56.22 C ATOM 905 O GLU A 95 -17.156 65.406 30.764 1.00 57.75 O ATOM 906 CB GLU A 95 -18.120 64.612 28.092 1.00 59.26 C ATOM 907 CG GLU A 95 -18.637 63.534 27.160 1.00 66.53 C ATOM 908 CD GLU A 95 -18.536 62.141 27.764 1.00 77.16 C ATOM 909 OE1 GLU A 95 -19.272 61.239 27.311 1.00 81.18 O ATOM 910 OE2 GLU A 95 -17.719 61.949 28.692 1.00 80.80 O ATOM 911 H GLU A 95 -20.412 65.872 28.119 1.00 0.00 H ATOM 912 N ASN A 96 -18.809 66.922 30.593 1.00 55.21 N ATOM 913 CA ASN A 96 -18.179 67.922 31.459 1.00 57.37 C ATOM 914 C ASN A 96 -16.736 68.215 31.033 1.00 53.48 C ATOM 915 O ASN A 96 -15.778 68.011 31.783 1.00 53.31 O ATOM 916 CB ASN A 96 -18.249 67.488 32.927 1.00 64.62 C ATOM 917 CG ASN A 96 -19.613 67.751 33.543 1.00 68.37 C ATOM 918 OD1 ASN A 96 -20.296 66.826 33.985 1.00 72.16 O ATOM 919 ND2 ASN A 96 -20.023 69.021 33.564 1.00 65.98 N ATOM 920 HD22 ASN A 96 -19.413 69.771 33.180 1.00 0.00 H ATOM 921 HD21 ASN A 96 -20.952 69.261 33.965 1.00 0.00 H ATOM 922 H ASN A 96 -19.743 67.136 30.190 1.00 0.00 H ATOM 923 N ARG A 97 -16.597 68.726 29.807 1.00 49.51 N ATOM 924 CA ARG A 97 -15.292 69.122 29.281 1.00 45.68 C ATOM 925 C ARG A 97 -15.474 70.180 28.200 1.00 42.63 C ATOM 926 O ARG A 97 -16.497 70.206 27.505 1.00 39.82 O ATOM 927 CB ARG A 97 -14.528 67.923 28.711 1.00 44.91 C ATOM 928 CG ARG A 97 -15.211 67.251 27.528 1.00 43.49 C ATOM 929 CD ARG A 97 -14.632 65.856 27.260 1.00 46.84 C ATOM 930 NE ARG A 97 -15.309 65.196 26.140 1.00 48.39 N ATOM 931 CZ ARG A 97 -15.187 63.906 25.830 1.00 51.66 C ATOM 932 NH1 ARG A 97 -14.413 63.109 26.563 1.00 52.87 N ATOM 933 NH2 ARG A 97 -15.848 63.412 24.789 1.00 52.74 N ATOM 934 HE ARG A 97 -15.931 65.778 25.543 1.00 0.00 H ATOM 935 HH12 ARG A 97 -14.321 62.103 26.316 1.00 0.00 H ATOM 936 HH11 ARG A 97 -13.900 63.492 27.382 1.00 0.00 H ATOM 937 HH22 ARG A 97 -15.755 62.406 24.544 1.00 0.00 H ATOM 938 HH21 ARG A 97 -16.458 64.032 24.219 1.00 0.00 H ATOM 939 H ARG A 97 -17.440 68.845 29.210 1.00 0.00 H ATOM 940 N PHE A 98 -14.470 71.048 28.069 1.00 41.90 N ATOM 941 CA PHE A 98 -14.426 71.984 26.956 1.00 40.28 C ATOM 942 C PHE A 98 -13.964 71.270 25.695 1.00 40.14 C ATOM 943 O PHE A 98 -13.227 70.285 25.748 1.00 42.66 O ATOM 944 CB PHE A 98 -13.490 73.155 27.259 1.00 38.68 C ATOM 945 CG PHE A 98 -14.007 74.063 28.320 1.00 40.06 C ATOM 946 CD1 PHE A 98 -15.016 74.971 28.039 1.00 38.21 C ATOM 947 CD2 PHE A 98 -13.512 73.992 29.610 1.00 43.45 C ATOM 948 CE1 PHE A 98 -15.513 75.806 29.025 1.00 38.69 C ATOM 949 CE2 PHE A 98 -14.005 74.821 30.602 1.00 43.45 C ATOM 950 CZ PHE A 98 -15.007 75.730 30.309 1.00 41.41 C ATOM 951 H PHE A 98 -13.706 71.056 28.774 1.00 0.00 H ATOM 952 N ILE A 99 -14.407 71.779 24.551 1.00 38.93 N ATOM 953 CA ILE A 99 -14.050 71.234 23.247 1.00 39.60 C ATOM 954 C ILE A 99 -13.387 72.335 22.432 1.00 36.34 C ATOM 955 O ILE A 99 -13.897 73.462 22.367 1.00 32.75 O ATOM 956 CB ILE A 99 -15.280 70.681 22.505 1.00 42.62 C ATOM 957 CG1 ILE A 99 -15.936 69.555 23.311 1.00 46.01 C ATOM 958 CG2 ILE A 99 -14.896 70.181 21.125 1.00 43.78 C ATOM 959 CD1 ILE A 99 -17.203 69.012 22.680 1.00 47.17 C ATOM 960 H ILE A 99 -15.038 72.605 24.587 1.00 0.00 H ATOM 961 N GLU A 100 -12.255 72.008 21.820 1.00 35.05 N ATOM 962 CA GLU A 100 -11.614 72.858 20.827 1.00 35.30 C ATOM 963 C GLU A 100 -11.873 72.251 19.454 1.00 35.47 C ATOM 964 O GLU A 100 -11.523 71.091 19.210 1.00 36.20 O ATOM 965 CB GLU A 100 -10.114 72.994 21.100 1.00 36.98 C ATOM 966 CG GLU A 100 -9.330 73.748 20.020 1.00 37.65 C ATOM 967 CD GLU A 100 -9.940 75.092 19.667 1.00 38.73 C ATOM 968 OE1 GLU A 100 -9.963 75.431 18.463 1.00 38.47 O ATOM 969 OE2 GLU A 100 -10.401 75.810 20.585 1.00 38.16 O ATOM 970 H GLU A 100 -11.805 71.102 22.061 1.00 0.00 H ATOM 971 N ILE A 101 -12.512 73.020 18.572 1.00 35.50 N ATOM 972 CA ILE A 101 -12.855 72.555 17.231 1.00 38.16 C ATOM 973 C ILE A 101 -11.807 73.064 16.259 1.00 38.41 C ATOM 974 O ILE A 101 -11.426 74.242 16.301 1.00 36.32 O ATOM 975 CB ILE A 101 -14.254 73.032 16.794 1.00 37.98 C ATOM 976 CG1 ILE A 101 -15.347 72.529 17.744 1.00 39.83 C ATOM 977 CG2 ILE A 101 -14.512 72.617 15.346 1.00 36.04 C ATOM 978 CD1 ILE A 101 -15.514 71.045 17.749 1.00 43.10 C ATOM 979 H ILE A 101 -12.776 73.987 18.849 1.00 0.00 H ATOM 980 N GLY A 102 -11.360 72.195 15.371 1.00 40.01 N ATOM 981 CA GLY A 102 -10.436 72.589 14.320 1.00 40.12 C ATOM 982 C GLY A 102 -10.944 72.155 12.963 1.00 39.48 C ATOM 983 O GLY A 102 -11.513 71.074 12.816 1.00 39.20 O ATOM 984 H GLY A 102 -11.676 71.206 15.425 1.00 0.00 H ATOM 985 N VAL A 103 -10.739 73.017 11.977 1.00 38.02 N ATOM 986 CA VAL A 103 -11.074 72.731 10.587 1.00 39.20 C ATOM 987 C VAL A 103 -9.840 73.061 9.759 1.00 40.32 C ATOM 988 O VAL A 103 -9.389 74.211 9.751 1.00 39.61 O ATOM 989 CB VAL A 103 -12.296 73.544 10.114 1.00 36.69 C ATOM 990 CG1 VAL A 103 -12.583 73.290 8.645 1.00 37.75 C ATOM 991 CG2 VAL A 103 -13.521 73.211 10.966 1.00 35.33 C ATOM 992 H VAL A 103 -10.319 73.941 12.206 1.00 0.00 H ATOM 993 N THR A 104 -9.281 72.066 9.078 1.00 42.54 N ATOM 994 CA THR A 104 -7.988 72.244 8.426 1.00 44.48 C ATOM 995 C THR A 104 -8.094 72.014 6.923 1.00 45.69 C ATOM 996 O THR A 104 -8.857 71.158 6.463 1.00 44.89 O ATOM 997 CB THR A 104 -6.918 71.309 9.041 1.00 46.72 C ATOM 998 OG1 THR A 104 -5.646 71.535 8.413 1.00 48.69 O ATOM 999 CG2 THR A 104 -7.302 69.827 8.890 1.00 46.98 C ATOM 1000 HG1 THR A 104 -5.374 72.477 8.551 1.00 0.00 H ATOM 1001 H THR A 104 -9.770 71.151 9.009 1.00 0.00 H ATOM 1002 N ARG A 105 -7.333 72.809 6.169 1.00 47.47 N ATOM 1003 CA ARG A 105 -7.089 72.600 4.748 1.00 49.69 C ATOM 1004 C ARG A 105 -5.897 71.687 4.495 1.00 53.32 C ATOM 1005 O ARG A 105 -5.670 71.291 3.347 1.00 55.56 O ATOM 1006 CB ARG A 105 -6.842 73.945 4.042 1.00 51.13 C ATOM 1007 CG ARG A 105 -8.060 74.868 3.941 1.00 50.63 C ATOM 1008 CD ARG A 105 -7.670 76.337 4.144 1.00 52.30 C ATOM 1009 NE ARG A 105 -7.551 76.665 5.562 1.00 53.27 N ATOM 1010 CZ ARG A 105 -7.175 77.848 6.039 1.00 55.14 C ATOM 1011 NH1 ARG A 105 -6.864 78.843 5.213 1.00 56.01 N ATOM 1012 NH2 ARG A 105 -7.105 78.035 7.353 1.00 54.82 N ATOM 1013 HE ARG A 105 -7.777 75.918 6.250 1.00 0.00 H ATOM 1014 HH12 ARG A 105 -6.571 79.764 5.596 1.00 0.00 H ATOM 1015 HH11 ARG A 105 -6.914 78.700 4.184 1.00 0.00 H ATOM 1016 HH22 ARG A 105 -6.812 78.958 7.732 1.00 0.00 H ATOM 1017 HH21 ARG A 105 -7.344 77.258 8.002 1.00 0.00 H ATOM 1018 H ARG A 105 -6.886 73.630 6.624 1.00 0.00 H ATOM 1019 N ARG A 106 -5.130 71.364 5.526 1.00 54.14 N ATOM 1020 CA ARG A 106 -3.975 70.480 5.414 1.00 58.14 C ATOM 1021 C ARG A 106 -4.397 69.074 5.862 1.00 59.96 C ATOM 1022 O ARG A 106 -5.456 68.619 5.422 1.00 62.61 O ATOM 1023 CB ARG A 106 -2.801 71.081 6.186 1.00 59.41 C ATOM 1024 CG ARG A 106 -2.203 72.348 5.587 1.00 61.71 C ATOM 1025 CD ARG A 106 -1.114 72.881 6.503 1.00 63.42 C ATOM 1026 NE ARG A 106 -1.666 73.248 7.807 1.00 61.84 N ATOM 1027 CZ ARG A 106 -0.989 73.219 8.951 1.00 62.12 C ATOM 1028 NH1 ARG A 106 0.279 72.823 8.967 1.00 64.48 N ATOM 1029 NH2 ARG A 106 -1.587 73.574 10.083 1.00 59.61 N ATOM 1030 HE ARG A 106 -2.659 73.554 7.842 1.00 0.00 H ATOM 1031 HH12 ARG A 106 0.806 72.801 9.863 1.00 0.00 H ATOM 1032 HH11 ARG A 106 0.745 72.535 8.083 1.00 0.00 H ATOM 1033 HH22 ARG A 106 -1.059 73.552 10.979 1.00 0.00 H ATOM 1034 HH21 ARG A 106 -2.583 73.874 10.073 1.00 0.00 H ATOM 1035 H ARG A 106 -5.362 71.759 6.459 1.00 0.00 H ATOM 1036 N GLU A 107 -3.643 68.387 6.709 1.00 59.38 N ATOM 1037 CA GLU A 107 -3.967 67.047 7.170 1.00 60.65 C ATOM 1038 C GLU A 107 -4.320 67.107 8.652 1.00 56.70 C ATOM 1039 O GLU A 107 -3.840 67.982 9.382 1.00 53.92 O ATOM 1040 CB GLU A 107 -2.788 66.101 6.918 1.00 67.85 C ATOM 1041 CG GLU A 107 -3.101 64.626 7.082 1.00 74.41 C ATOM 1042 CD GLU A 107 -2.730 64.117 8.454 1.00 78.70 C ATOM 1043 OE1 GLU A 107 -2.019 64.846 9.181 1.00 82.01 O ATOM 1044 OE2 GLU A 107 -3.147 62.994 8.807 1.00 77.82 O ATOM 1045 H GLU A 107 -2.772 68.831 7.063 1.00 0.00 H ATOM 1046 N VAL A 108 -5.185 66.187 9.095 1.00 55.65 N ATOM 1047 CA VAL A 108 -5.770 66.327 10.431 1.00 52.32 C ATOM 1048 C VAL A 108 -4.749 66.032 11.529 1.00 52.45 C ATOM 1049 O VAL A 108 -4.800 66.637 12.609 1.00 49.99 O ATOM 1050 CB VAL A 108 -7.019 65.434 10.581 1.00 52.66 C ATOM 1051 CG1 VAL A 108 -8.172 65.970 9.730 1.00 51.25 C ATOM 1052 CG2 VAL A 108 -6.691 63.987 10.219 1.00 54.55 C ATOM 1053 H VAL A 108 -5.441 65.377 8.494 1.00 0.00 H ATOM 1054 N HIS A 109 -3.811 65.110 11.290 1.00 52.39 N ATOM 1055 CA HIS A 109 -2.874 64.747 12.351 1.00 55.83 C ATOM 1056 C HIS A 109 -1.894 65.875 12.640 1.00 53.93 C ATOM 1057 O HIS A 109 -1.596 66.161 13.806 1.00 53.14 O ATOM 1058 CB HIS A 109 -2.143 63.460 11.985 1.00 64.47 C ATOM 1059 CG HIS A 109 -3.062 62.295 11.824 1.00 72.56 C ATOM 1060 ND1 HIS A 109 -3.750 62.049 10.656 1.00 75.03 N ATOM 1061 CD2 HIS A 109 -3.446 61.335 12.698 1.00 76.11 C ATOM 1062 CE1 HIS A 109 -4.499 60.972 10.808 1.00 76.50 C ATOM 1063 NE2 HIS A 109 -4.332 60.518 12.038 1.00 76.82 N ATOM 1064 H HIS A 109 -3.749 64.655 10.357 1.00 0.00 H ATOM 1065 N ILE A 110 -1.390 66.534 11.597 1.00 54.32 N ATOM 1066 CA ILE A 110 -0.509 67.682 11.804 1.00 57.49 C ATOM 1067 C ILE A 110 -1.252 68.792 12.542 1.00 52.27 C ATOM 1068 O ILE A 110 -0.747 69.366 13.514 1.00 50.50 O ATOM 1069 CB ILE A 110 0.061 68.170 10.459 1.00 63.20 C ATOM 1070 CG1 ILE A 110 0.650 69.574 10.596 1.00 64.67 C ATOM 1071 CG2 ILE A 110 -1.008 68.147 9.384 1.00 63.64 C ATOM 1072 CD1 ILE A 110 2.072 69.590 11.095 1.00 68.14 C ATOM 1073 H ILE A 110 -1.625 66.230 10.631 1.00 0.00 H ATOM 1074 N TYR A 111 -2.473 69.102 12.106 1.00 50.71 N ATOM 1075 CA TYR A 111 -3.230 70.154 12.778 1.00 50.06 C ATOM 1076 C TYR A 111 -3.542 69.765 14.222 1.00 49.08 C ATOM 1077 O TYR A 111 -3.514 70.613 15.123 1.00 48.00 O ATOM 1078 CB TYR A 111 -4.511 70.462 11.997 1.00 51.77 C ATOM 1079 CG TYR A 111 -5.185 71.788 12.342 1.00 53.05 C ATOM 1080 CD1 TYR A 111 -4.724 72.990 11.810 1.00 54.76 C ATOM 1081 CD2 TYR A 111 -6.295 71.831 13.174 1.00 53.79 C ATOM 1082 CE1 TYR A 111 -5.349 74.205 12.115 1.00 55.75 C ATOM 1083 CE2 TYR A 111 -6.922 73.036 13.485 1.00 54.28 C ATOM 1084 CZ TYR A 111 -6.446 74.219 12.954 1.00 55.86 C ATOM 1085 OH TYR A 111 -7.068 75.407 13.267 1.00 57.78 O ATOM 1086 HH TYR A 111 -8.012 75.371 12.972 1.00 0.00 H ATOM 1087 H TYR A 111 -2.883 68.598 11.294 1.00 0.00 H ATOM 1088 N TYR A 112 -3.831 68.484 14.466 1.00 49.36 N ATOM 1089 CA TYR A 112 -4.109 68.035 15.828 1.00 49.84 C ATOM 1090 C TYR A 112 -2.929 68.310 16.754 1.00 52.23 C ATOM 1091 O TYR A 112 -3.101 68.849 17.856 1.00 50.72 O ATOM 1092 CB TYR A 112 -4.444 66.544 15.848 1.00 52.67 C ATOM 1093 CG TYR A 112 -4.776 66.072 17.244 1.00 53.92 C ATOM 1094 CD1 TYR A 112 -3.781 65.638 18.117 1.00 57.22 C ATOM 1095 CD2 TYR A 112 -6.083 66.100 17.704 1.00 51.24 C ATOM 1096 CE1 TYR A 112 -4.093 65.229 19.402 1.00 59.36 C ATOM 1097 CE2 TYR A 112 -6.404 65.690 18.978 1.00 52.91 C ATOM 1098 CZ TYR A 112 -5.414 65.261 19.826 1.00 58.22 C ATOM 1099 OH TYR A 112 -5.750 64.854 21.097 1.00 61.33 O ATOM 1100 HH TYR A 112 -6.181 65.603 21.579 1.00 0.00 H ATOM 1101 H TYR A 112 -3.858 67.802 13.681 1.00 0.00 H ATOM 1102 N LEU A 113 -1.725 67.900 16.340 1.00 53.84 N ATOM 1103 CA LEU A 113 -0.535 68.151 17.147 1.00 56.60 C ATOM 1104 C LEU A 113 -0.343 69.643 17.390 1.00 59.73 C ATOM 1105 O LEU A 113 -0.090 70.073 18.523 1.00 62.42 O ATOM 1106 CB LEU A 113 0.696 67.552 16.464 1.00 55.70 C ATOM 1107 CG LEU A 113 0.859 66.045 16.596 1.00 57.41 C ATOM 1108 CD1 LEU A 113 2.031 65.565 15.770 1.00 58.87 C ATOM 1109 CD2 LEU A 113 1.041 65.676 18.058 1.00 59.27 C ATOM 1110 H LEU A 113 -1.636 67.397 15.434 1.00 0.00 H ATOM 1111 N GLU A 114 -0.455 70.450 16.333 1.00 60.65 N ATOM 1112 CA GLU A 114 -0.309 71.894 16.489 1.00 62.17 C ATOM 1113 C GLU A 114 -1.292 72.431 17.517 1.00 60.32 C ATOM 1114 O GLU A 114 -0.908 73.142 18.451 1.00 61.55 O ATOM 1115 CB GLU A 114 -0.500 72.589 15.142 1.00 64.83 C ATOM 1116 CG GLU A 114 0.474 72.109 14.079 1.00 71.67 C ATOM 1117 CD GLU A 114 0.573 73.051 12.895 1.00 74.95 C ATOM 1118 OE1 GLU A 114 1.630 73.046 12.223 1.00 78.51 O ATOM 1119 OE2 GLU A 114 -0.398 73.796 12.640 1.00 73.83 O ATOM 1120 H GLU A 114 -0.647 70.048 15.393 1.00 0.00 H ATOM 1121 N LYS A 115 -2.572 72.097 17.359 1.00 57.62 N ATOM 1122 CA LYS A 115 -3.582 72.527 18.319 1.00 55.53 C ATOM 1123 C LYS A 115 -3.207 72.097 19.731 1.00 57.30 C ATOM 1124 O LYS A 115 -3.292 72.884 20.681 1.00 56.99 O ATOM 1125 CB LYS A 115 -4.942 71.951 17.922 1.00 54.14 C ATOM 1126 CG LYS A 115 -6.122 72.796 18.324 1.00 52.66 C ATOM 1127 CD LYS A 115 -6.091 74.136 17.621 1.00 51.76 C ATOM 1128 CE LYS A 115 -7.491 74.590 17.241 1.00 49.87 C ATOM 1129 NZ LYS A 115 -7.467 75.952 16.671 1.00 48.34 N ATOM 1130 HZ1 LYS A 115 -7.080 76.614 17.374 1.00 0.00 H ATOM 1131 HZ2 LYS A 115 -6.870 75.960 15.820 1.00 0.00 H ATOM 1132 HZ3 LYS A 115 -8.435 76.238 16.420 1.00 0.00 H ATOM 1133 H LYS A 115 -2.855 71.522 16.540 1.00 0.00 H ATOM 1134 N ALA A 116 -2.778 70.844 19.883 1.00 59.55 N ATOM 1135 CA ALA A 116 -2.448 70.329 21.207 1.00 63.21 C ATOM 1136 C ALA A 116 -1.304 71.115 21.834 1.00 69.02 C ATOM 1137 O ALA A 116 -1.367 71.495 23.011 1.00 70.34 O ATOM 1138 CB ALA A 116 -2.103 68.846 21.117 1.00 63.80 C ATOM 1139 H ALA A 116 -2.678 70.229 19.051 1.00 0.00 H ATOM 1140 N ASN A 117 -0.247 71.373 21.059 1.00 72.98 N ATOM 1141 CA ASN A 117 0.880 72.130 21.591 1.00 78.18 C ATOM 1142 C ASN A 117 0.501 73.580 21.872 1.00 81.81 C ATOM 1143 O ASN A 117 1.046 74.190 22.797 1.00 84.55 O ATOM 1144 CB ASN A 117 2.064 72.060 20.624 1.00 79.02 C ATOM 1145 H ASN A 117 -0.228 71.034 20.076 1.00 0.00 H ATOM 1146 N LYS A 118 -0.440 74.141 21.104 1.00 82.47 N ATOM 1147 CA LYS A 118 -0.821 75.541 21.269 1.00 83.18 C ATOM 1148 C LYS A 118 -1.637 75.768 22.534 1.00 86.69 C ATOM 1149 O LYS A 118 -1.406 76.746 23.253 1.00 88.57 O ATOM 1150 CB LYS A 118 -1.606 76.025 20.050 1.00 79.64 C ATOM 1151 H LYS A 118 -0.910 73.568 20.374 1.00 0.00 H ATOM 1152 N ILE A 119 -2.598 74.891 22.821 1.00 87.82 N ATOM 1153 CA ILE A 119 -3.473 75.128 23.964 1.00 88.05 C ATOM 1154 C ILE A 119 -2.837 74.621 25.251 1.00 94.51 C ATOM 1155 O ILE A 119 -2.986 75.237 26.312 1.00 94.18 O ATOM 1156 CB ILE A 119 -4.852 74.492 23.723 1.00 83.32 C ATOM 1157 CG1 ILE A 119 -4.718 72.988 23.476 1.00 83.01 C ATOM 1158 CG2 ILE A 119 -5.556 75.172 22.557 1.00 80.31 C ATOM 1159 CD1 ILE A 119 -6.020 72.328 23.082 1.00 80.87 C ATOM 1160 H ILE A 119 -2.724 74.042 22.233 1.00 0.00 H ATOM 1161 N LYS A 120 -2.119 73.498 25.180 1.00101.05 N ATOM 1162 CA LYS A 120 -1.481 72.882 26.347 1.00107.22 C ATOM 1163 C LYS A 120 -2.446 72.746 27.521 1.00108.49 C ATOM 1164 O LYS A 120 -2.026 72.658 28.678 1.00112.76 O ATOM 1165 CB LYS A 120 -0.230 73.661 26.772 1.00109.67 C ATOM 1166 H LYS A 120 -2.007 73.039 24.254 1.00 0.00 H ATOM 1167 N SER A 121 -3.744 72.742 27.237 1.00103.79 N ATOM 1168 CA SER A 121 -4.768 72.536 28.256 1.00 99.79 C ATOM 1169 C SER A 121 -5.050 71.043 28.303 1.00 95.71 C ATOM 1170 O SER A 121 -5.796 70.515 27.476 1.00 95.71 O ATOM 1171 CB SER A 121 -6.021 73.344 27.938 1.00 98.23 C ATOM 1172 OG SER A 121 -7.004 73.179 28.944 1.00 98.80 O ATOM 1173 HG SER A 121 -7.805 73.713 28.712 1.00 0.00 H ATOM 1174 H SER A 121 -4.041 72.891 26.252 1.00 0.00 H ATOM 1175 N GLU A 122 -4.439 70.354 29.270 1.00 91.35 N ATOM 1176 CA GLU A 122 -4.530 68.898 29.301 1.00 87.01 C ATOM 1177 C GLU A 122 -5.975 68.416 29.302 1.00 82.06 C ATOM 1178 O GLU A 122 -6.256 67.305 28.841 1.00 82.83 O ATOM 1179 CB GLU A 122 -3.791 68.350 30.522 1.00 88.53 C ATOM 1180 H GLU A 122 -3.897 70.856 30.002 1.00 0.00 H ATOM 1181 N LYS A 123 -6.906 69.226 29.803 1.00 77.24 N ATOM 1182 CA LYS A 123 -8.275 68.757 29.965 1.00 74.19 C ATOM 1183 C LYS A 123 -9.179 69.090 28.785 1.00 69.16 C ATOM 1184 O LYS A 123 -10.255 68.501 28.668 1.00 69.49 O ATOM 1185 CB LYS A 123 -8.881 69.331 31.248 1.00 73.63 C ATOM 1186 H LYS A 123 -6.654 70.197 30.079 1.00 0.00 H ATOM 1187 N THR A 124 -8.777 70.006 27.910 1.00 65.20 N ATOM 1188 CA THR A 124 -9.625 70.398 26.790 1.00 59.76 C ATOM 1189 C THR A 124 -9.619 69.318 25.712 1.00 57.19 C ATOM 1190 O THR A 124 -8.555 68.852 25.290 1.00 59.27 O ATOM 1191 CB THR A 124 -9.161 71.731 26.207 1.00 58.09 C ATOM 1192 OG1 THR A 124 -9.224 72.738 27.224 1.00 58.99 O ATOM 1193 CG2 THR A 124 -10.057 72.139 25.040 1.00 54.59 C ATOM 1194 HG1 THR A 124 -8.635 72.482 27.978 1.00 0.00 H ATOM 1195 H THR A 124 -7.844 70.450 28.026 1.00 0.00 H ATOM 1196 N HIS A 125 -10.811 68.919 25.273 1.00 52.47 N ATOM 1197 CA HIS A 125 -10.949 67.903 24.236 1.00 50.62 C ATOM 1198 C HIS A 125 -10.830 68.550 22.859 1.00 47.31 C ATOM 1199 O HIS A 125 -11.379 69.626 22.621 1.00 43.68 O ATOM 1200 CB HIS A 125 -12.297 67.195 24.375 1.00 49.75 C ATOM 1201 CG HIS A 125 -12.290 65.772 23.916 1.00 52.28 C ATOM 1202 ND1 HIS A 125 -11.752 64.750 24.669 1.00 54.76 N ATOM 1203 CD2 HIS A 125 -12.769 65.197 22.787 1.00 52.54 C ATOM 1204 CE1 HIS A 125 -11.895 63.608 24.021 1.00 56.48 C ATOM 1205 NE2 HIS A 125 -12.511 63.851 22.878 1.00 54.90 N ATOM 1206 H HIS A 125 -11.668 69.344 25.681 1.00 0.00 H ATOM 1207 N ILE A 126 -10.100 67.900 21.955 1.00 48.60 N ATOM 1208 CA ILE A 126 -9.815 68.448 20.631 1.00 46.92 C ATOM 1209 C ILE A 126 -10.494 67.580 19.579 1.00 44.80 C ATOM 1210 O ILE A 126 -10.374 66.351 19.609 1.00 43.01 O ATOM 1211 CB ILE A 126 -8.301 68.528 20.360 1.00 49.12 C ATOM 1212 CG1 ILE A 126 -7.619 69.435 21.386 1.00 50.74 C ATOM 1213 CG2 ILE A 126 -8.045 69.003 18.939 1.00 46.95 C ATOM 1214 CD1 ILE A 126 -6.107 69.477 21.254 1.00 53.49 C ATOM 1215 H ILE A 126 -9.717 66.965 22.201 1.00 0.00 H ATOM 1216 N HIS A 127 -11.185 68.219 18.637 1.00 43.22 N ATOM 1217 CA HIS A 127 -11.845 67.511 17.544 1.00 43.48 C ATOM 1218 C HIS A 127 -11.567 68.256 16.246 1.00 42.12 C ATOM 1219 O HIS A 127 -11.903 69.439 16.128 1.00 37.80 O ATOM 1220 CB HIS A 127 -13.352 67.399 17.804 1.00 42.42 C ATOM 1221 CG HIS A 127 -14.042 66.375 16.959 1.00 42.55 C ATOM 1222 ND1 HIS A 127 -15.112 65.630 17.414 1.00 42.84 N ATOM 1223 CD2 HIS A 127 -13.823 65.978 15.683 1.00 42.15 C ATOM 1224 CE1 HIS A 127 -15.520 64.820 16.454 1.00 44.23 C ATOM 1225 NE2 HIS A 127 -14.757 65.014 15.392 1.00 43.85 N ATOM 1226 H HIS A 127 -11.257 69.256 18.681 1.00 0.00 H ATOM 1227 N ILE A 128 -10.966 67.565 15.274 1.00 43.62 N ATOM 1228 CA ILE A 128 -10.514 68.163 14.019 1.00 44.60 C ATOM 1229 C ILE A 128 -11.318 67.579 12.867 1.00 43.61 C ATOM 1230 O ILE A 128 -11.554 66.364 12.814 1.00 42.96 O ATOM 1231 CB ILE A 128 -9.009 67.913 13.776 1.00 48.51 C ATOM 1232 CG1 ILE A 128 -8.174 68.350 14.979 1.00 47.78 C ATOM 1233 CG2 ILE A 128 -8.553 68.595 12.489 1.00 49.06 C ATOM 1234 CD1 ILE A 128 -8.380 69.772 15.374 1.00 44.13 C ATOM 1235 H ILE A 128 -10.811 66.547 15.418 1.00 0.00 H ATOM 1236 N PHE A 129 -11.706 68.439 11.926 1.00 39.61 N ATOM 1237 CA PHE A 129 -12.301 68.027 10.661 1.00 41.36 C ATOM 1238 C PHE A 129 -11.448 68.532 9.502 1.00 43.42 C ATOM 1239 O PHE A 129 -10.811 69.582 9.598 1.00 41.62 O ATOM 1240 CB PHE A 129 -13.732 68.563 10.500 1.00 39.46 C ATOM 1241 CG PHE A 129 -14.676 68.113 11.575 1.00 41.26 C ATOM 1242 CD1 PHE A 129 -14.876 68.881 12.710 1.00 40.98 C ATOM 1243 CD2 PHE A 129 -15.375 66.925 11.446 1.00 42.44 C ATOM 1244 CE1 PHE A 129 -15.755 68.464 13.705 1.00 41.98 C ATOM 1245 CE2 PHE A 129 -16.250 66.503 12.435 1.00 43.58 C ATOM 1246 CZ PHE A 129 -16.437 67.277 13.566 1.00 42.75 C ATOM 1247 H PHE A 129 -11.578 69.456 12.103 1.00 0.00 H ATOM 1248 N SER A 130 -11.441 67.782 8.405 1.00 45.34 N ATOM 1249 CA SER A 130 -10.879 68.236 7.139 1.00 45.71 C ATOM 1250 C SER A 130 -12.004 68.457 6.133 1.00 46.40 C ATOM 1251 O SER A 130 -13.171 68.160 6.392 1.00 47.54 O ATOM 1252 CB SER A 130 -9.866 67.225 6.586 1.00 46.86 C ATOM 1253 OG SER A 130 -10.523 66.049 6.147 1.00 46.62 O ATOM 1254 HG SER A 130 -9.854 65.410 5.794 1.00 0.00 H ATOM 1255 H SER A 130 -11.855 66.829 8.452 1.00 0.00 H ATOM 1256 N PHE A 131 -11.648 68.991 4.971 1.00 46.69 N ATOM 1257 CA PHE A 131 -12.634 69.158 3.910 1.00 48.34 C ATOM 1258 C PHE A 131 -12.823 67.897 3.076 1.00 53.57 C ATOM 1259 O PHE A 131 -13.616 67.917 2.129 1.00 56.15 O ATOM 1260 CB PHE A 131 -12.244 70.317 2.990 1.00 47.70 C ATOM 1261 CG PHE A 131 -12.398 71.675 3.618 1.00 45.56 C ATOM 1262 CD1 PHE A 131 -11.360 72.238 4.344 1.00 45.70 C ATOM 1263 CD2 PHE A 131 -13.572 72.392 3.471 1.00 43.31 C ATOM 1264 CE1 PHE A 131 -11.492 73.496 4.916 1.00 43.07 C ATOM 1265 CE2 PHE A 131 -13.715 73.644 4.041 1.00 42.75 C ATOM 1266 CZ PHE A 131 -12.674 74.201 4.764 1.00 41.87 C ATOM 1267 H PHE A 131 -10.664 69.291 4.817 1.00 0.00 H ATOM 1268 N THR A 132 -12.129 66.807 3.399 1.00 54.88 N ATOM 1269 CA THR A 132 -12.203 65.581 2.615 1.00 58.79 C ATOM 1270 C THR A 132 -12.637 64.392 3.468 1.00 60.59 C ATOM 1271 O THR A 132 -12.299 63.245 3.170 1.00 65.54 O ATOM 1272 CB THR A 132 -10.867 65.305 1.923 1.00 60.99 C ATOM 1273 OG1 THR A 132 -9.807 65.321 2.889 1.00 60.28 O ATOM 1274 CG2 THR A 132 -10.592 66.370 0.863 1.00 61.10 C ATOM 1275 HG1 THR A 132 -9.973 64.623 3.571 1.00 0.00 H ATOM 1276 H THR A 132 -11.515 66.832 4.238 1.00 0.00 H ATOM 1277 N GLY A 133 -13.374 64.657 4.542 1.00 57.79 N ATOM 1278 CA GLY A 133 -14.021 63.615 5.311 1.00 59.15 C ATOM 1279 C GLY A 133 -13.196 62.974 6.402 1.00 61.68 C ATOM 1280 O GLY A 133 -13.620 61.948 6.947 1.00 64.59 O ATOM 1281 H GLY A 133 -13.490 65.647 4.840 1.00 0.00 H ATOM 1282 N GLU A 134 -12.036 63.530 6.740 1.00 60.34 N ATOM 1283 CA GLU A 134 -11.209 62.983 7.806 1.00 60.14 C ATOM 1284 C GLU A 134 -11.460 63.743 9.097 1.00 53.93 C ATOM 1285 O GLU A 134 -11.700 64.957 9.084 1.00 49.35 O ATOM 1286 CB GLU A 134 -9.721 63.047 7.456 1.00 64.91 C ATOM 1287 CG GLU A 134 -9.320 62.198 6.267 1.00 71.48 C ATOM 1288 CD GLU A 134 -8.660 63.020 5.184 1.00 75.07 C ATOM 1289 OE1 GLU A 134 -7.763 62.495 4.492 1.00 78.18 O ATOM 1290 OE2 GLU A 134 -9.037 64.205 5.034 1.00 74.56 O ATOM 1291 H GLU A 134 -11.712 64.376 6.230 1.00 0.00 H ATOM 1292 N GLU A 135 -11.399 63.024 10.214 1.00 54.14 N ATOM 1293 CA GLU A 135 -11.507 63.660 11.516 1.00 54.16 C ATOM 1294 C GLU A 135 -10.567 62.966 12.489 1.00 55.12 C ATOM 1295 O GLU A 135 -10.121 61.838 12.267 1.00 55.26 O ATOM 1296 CB GLU A 135 -12.953 63.664 12.043 1.00 57.68 C ATOM 1297 CG GLU A 135 -13.551 62.299 12.313 1.00 65.70 C ATOM 1298 CD GLU A 135 -15.049 62.367 12.577 1.00 68.64 C ATOM 1299 OE1 GLU A 135 -15.806 61.664 11.869 1.00 71.36 O ATOM 1300 OE2 GLU A 135 -15.466 63.133 13.479 1.00 66.93 O ATOM 1301 H GLU A 135 -11.272 61.993 10.155 1.00 0.00 H ATOM 1302 N MET A 136 -10.258 63.672 13.568 1.00 55.22 N ATOM 1303 CA MET A 136 -9.280 63.210 14.544 1.00 59.33 C ATOM 1304 C MET A 136 -9.634 63.860 15.870 1.00 56.99 C ATOM 1305 O MET A 136 -9.638 65.089 15.974 1.00 54.66 O ATOM 1306 CB MET A 136 -7.860 63.576 14.104 1.00 63.86 C ATOM 1307 CG MET A 136 -6.846 63.655 15.228 1.00 68.72 C ATOM 1308 SD MET A 136 -5.920 62.133 15.483 1.00 76.13 S ATOM 1309 CE MET A 136 -5.442 62.297 17.202 1.00 77.74 C ATOM 1310 H MET A 136 -10.729 64.586 13.723 1.00 0.00 H ATOM 1311 N ALA A 137 -9.961 63.049 16.869 1.00 56.06 N ATOM 1312 CA ALA A 137 -10.394 63.567 18.155 1.00 54.32 C ATOM 1313 C ALA A 137 -9.562 62.953 19.268 1.00 55.24 C ATOM 1314 O ALA A 137 -9.023 61.851 19.130 1.00 55.65 O ATOM 1315 CB ALA A 137 -11.888 63.293 18.391 1.00 54.12 C ATOM 1316 H ALA A 137 -9.906 62.020 16.728 1.00 0.00 H ATOM 1317 N THR A 138 -9.456 63.688 20.373 1.00 54.36 N ATOM 1318 CA THR A 138 -8.717 63.206 21.533 1.00 56.55 C ATOM 1319 C THR A 138 -9.191 61.815 21.944 1.00 59.33 C ATOM 1320 O THR A 138 -10.395 61.548 22.016 1.00 58.36 O ATOM 1321 CB THR A 138 -8.881 64.185 22.697 1.00 54.16 C ATOM 1322 OG1 THR A 138 -8.443 65.484 22.289 1.00 51.36 O ATOM 1323 CG2 THR A 138 -8.060 63.732 23.893 1.00 56.58 C ATOM 1324 HG1 THR A 138 -7.490 65.441 22.023 1.00 0.00 H ATOM 1325 H THR A 138 -9.909 64.623 20.409 1.00 0.00 H ATOM 1326 N LYS A 139 -8.229 60.927 22.210 1.00 62.76 N ATOM 1327 CA LYS A 139 -8.498 59.560 22.660 1.00 65.62 C ATOM 1328 C LYS A 139 -9.437 58.823 21.712 1.00 63.94 C ATOM 1329 O LYS A 139 -10.111 57.872 22.115 1.00 65.06 O ATOM 1330 CB LYS A 139 -9.076 59.540 24.080 1.00 68.86 C ATOM 1331 CG LYS A 139 -8.315 60.373 25.097 1.00 72.69 C ATOM 1332 CD LYS A 139 -7.155 59.606 25.709 1.00 80.43 C ATOM 1333 CE LYS A 139 -6.634 60.302 26.965 1.00 84.55 C ATOM 1334 NZ LYS A 139 -7.687 60.446 28.014 1.00 86.52 N ATOM 1335 HZ1 LYS A 139 -8.475 61.010 27.637 1.00 0.00 H ATOM 1336 HZ2 LYS A 139 -8.033 59.504 28.288 1.00 0.00 H ATOM 1337 HZ3 LYS A 139 -7.284 60.924 28.845 1.00 0.00 H ATOM 1338 H LYS A 139 -7.239 61.222 22.091 1.00 0.00 H ATOM 1339 N ALA A 140 -9.510 59.245 20.451 1.00 61.59 N ATOM 1340 CA ALA A 140 -10.438 58.635 19.501 1.00 61.91 C ATOM 1341 C ALA A 140 -11.877 58.696 20.017 1.00 61.44 C ATOM 1342 O ALA A 140 -12.711 57.856 19.672 1.00 62.32 O ATOM 1343 CB ALA A 140 -10.037 57.190 19.189 1.00 65.58 C ATOM 1344 H ALA A 140 -8.895 60.023 20.137 1.00 0.00 H ATOM 1345 N ASP A 141 -12.169 59.689 20.862 1.00 60.05 N ATOM 1346 CA ASP A 141 -13.499 59.899 21.428 1.00 59.88 C ATOM 1347 C ASP A 141 -14.145 61.058 20.673 1.00 56.51 C ATOM 1348 O ASP A 141 -13.740 62.215 20.833 1.00 53.50 O ATOM 1349 CB ASP A 141 -13.410 60.182 22.929 1.00 61.14 C ATOM 1350 CG ASP A 141 -14.767 60.479 23.564 1.00 61.55 C ATOM 1351 OD1 ASP A 141 -15.789 60.511 22.844 1.00 61.15 O ATOM 1352 OD2 ASP A 141 -14.810 60.676 24.799 1.00 62.14 O ATOM 1353 H ASP A 141 -11.410 60.347 21.131 1.00 0.00 H ATOM 1354 N TYR A 142 -15.152 60.746 19.858 1.00 56.34 N ATOM 1355 CA TYR A 142 -15.673 61.685 18.877 1.00 55.94 C ATOM 1356 C TYR A 142 -16.932 62.416 19.337 1.00 53.47 C ATOM 1357 O TYR A 142 -17.466 63.234 18.580 1.00 51.77 O ATOM 1358 CB TYR A 142 -15.916 60.948 17.554 1.00 60.28 C ATOM 1359 CG TYR A 142 -14.614 60.503 16.907 1.00 65.63 C ATOM 1360 CD1 TYR A 142 -13.910 61.354 16.066 1.00 66.22 C ATOM 1361 CD2 TYR A 142 -14.073 59.250 17.165 1.00 71.04 C ATOM 1362 CE1 TYR A 142 -12.712 60.966 15.483 1.00 69.30 C ATOM 1363 CE2 TYR A 142 -12.873 58.847 16.582 1.00 74.32 C ATOM 1364 CZ TYR A 142 -12.197 59.713 15.744 1.00 73.99 C ATOM 1365 OH TYR A 142 -11.006 59.328 15.163 1.00 76.64 O ATOM 1366 HH TYR A 142 -10.662 60.065 14.598 1.00 0.00 H ATOM 1367 H TYR A 142 -15.579 59.800 19.926 1.00 0.00 H ATOM 1368 N THR A 143 -17.412 62.149 20.554 1.00 54.26 N ATOM 1369 CA THR A 143 -18.456 62.948 21.190 1.00 53.49 C ATOM 1370 C THR A 143 -19.827 62.772 20.540 1.00 53.82 C ATOM 1371 O THR A 143 -20.768 62.323 21.200 1.00 55.12 O ATOM 1372 CB THR A 143 -18.055 64.425 21.196 1.00 50.00 C ATOM 1373 OG1 THR A 143 -16.946 64.604 22.087 1.00 48.30 O ATOM 1374 CG2 THR A 143 -19.216 65.306 21.649 1.00 50.38 C ATOM 1375 HG1 THR A 143 -16.184 64.052 21.779 1.00 0.00 H ATOM 1376 H THR A 143 -17.025 61.335 21.073 1.00 0.00 H ATOM 1377 N LEU A 144 -19.959 63.131 19.266 1.00 50.80 N ATOM 1378 CA LEU A 144 -21.226 63.042 18.555 1.00 49.40 C ATOM 1379 C LEU A 144 -21.420 61.666 17.932 1.00 53.20 C ATOM 1380 O LEU A 144 -20.462 60.938 17.668 1.00 53.07 O ATOM 1381 CB LEU A 144 -21.294 64.082 17.450 1.00 45.73 C ATOM 1382 CG LEU A 144 -21.066 65.520 17.881 1.00 43.00 C ATOM 1383 CD1 LEU A 144 -20.924 66.359 16.635 1.00 39.07 C ATOM 1384 CD2 LEU A 144 -22.226 65.985 18.749 1.00 44.64 C ATOM 1385 H LEU A 144 -19.125 63.489 18.758 1.00 0.00 H ATOM 1386 N ASP A 145 -22.680 61.331 17.665 1.00 56.38 N ATOM 1387 CA ASP A 145 -22.960 60.107 16.931 1.00 61.24 C ATOM 1388 C ASP A 145 -22.548 60.262 15.468 1.00 57.97 C ATOM 1389 O ASP A 145 -22.349 61.372 14.961 1.00 52.64 O ATOM 1390 CB ASP A 145 -24.439 59.727 17.043 1.00 68.22 C ATOM 1391 CG ASP A 145 -25.370 60.823 16.559 1.00 70.92 C ATOM 1392 OD1 ASP A 145 -24.877 61.864 16.079 1.00 70.14 O ATOM 1393 OD2 ASP A 145 -26.601 60.644 16.663 1.00 73.95 O ATOM 1394 H ASP A 145 -23.461 61.942 17.980 1.00 0.00 H ATOM 1395 N GLU A 146 -22.393 59.117 14.795 1.00 60.17 N ATOM 1396 CA GLU A 146 -21.886 59.112 13.424 1.00 62.51 C ATOM 1397 C GLU A 146 -22.758 59.941 12.485 1.00 61.19 C ATOM 1398 O GLU A 146 -22.239 60.549 11.538 1.00 59.57 O ATOM 1399 CB GLU A 146 -21.773 57.677 12.902 1.00 70.08 C ATOM 1400 CG GLU A 146 -20.954 56.730 13.768 1.00 77.83 C ATOM 1401 CD GLU A 146 -20.995 55.286 13.259 1.00 87.75 C ATOM 1402 OE1 GLU A 146 -21.068 55.090 12.024 1.00 90.46 O ATOM 1403 OE2 GLU A 146 -20.965 54.351 14.091 1.00 92.12 O ATOM 1404 H GLU A 146 -22.637 58.216 15.254 1.00 0.00 H ATOM 1405 N GLU A 147 -24.078 59.969 12.713 1.00 61.73 N ATOM 1406 CA GLU A 147 -24.957 60.751 11.847 1.00 62.99 C ATOM 1407 C GLU A 147 -24.620 62.235 11.917 1.00 59.95 C ATOM 1408 O GLU A 147 -24.506 62.907 10.886 1.00 58.53 O ATOM 1409 CB GLU A 147 -26.419 60.522 12.221 1.00 66.78 C ATOM 1410 CG GLU A 147 -26.927 59.121 11.900 1.00 73.57 C ATOM 1411 CD GLU A 147 -26.599 58.110 12.984 1.00 78.14 C ATOM 1412 OE1 GLU A 147 -26.098 58.523 14.054 1.00 77.46 O ATOM 1413 OE2 GLU A 147 -26.849 56.903 12.765 1.00 82.41 O ATOM 1414 H GLU A 147 -24.478 59.432 13.509 1.00 0.00 H ATOM 1415 N SER A 148 -24.477 62.766 13.132 1.00 59.26 N ATOM 1416 CA SER A 148 -24.088 64.163 13.297 1.00 56.34 C ATOM 1417 C SER A 148 -22.742 64.434 12.639 1.00 53.47 C ATOM 1418 O SER A 148 -22.595 65.391 11.872 1.00 52.12 O ATOM 1419 CB SER A 148 -24.048 64.525 14.782 1.00 56.59 C ATOM 1420 OG SER A 148 -25.350 64.541 15.336 1.00 58.43 O ATOM 1421 HG SER A 148 -25.296 64.778 16.296 1.00 0.00 H ATOM 1422 H SER A 148 -24.645 62.177 13.973 1.00 0.00 H ATOM 1423 N ARG A 149 -21.741 63.602 12.931 1.00 53.09 N ATOM 1424 CA ARG A 149 -20.436 63.794 12.312 1.00 53.87 C ATOM 1425 C ARG A 149 -20.543 63.747 10.792 1.00 49.76 C ATOM 1426 O ARG A 149 -19.970 64.593 10.095 1.00 45.00 O ATOM 1427 CB ARG A 149 -19.448 62.747 12.833 1.00 61.47 C ATOM 1428 CG ARG A 149 -19.554 62.508 14.339 1.00 67.41 C ATOM 1429 CD ARG A 149 -18.259 61.975 14.949 1.00 72.62 C ATOM 1430 NE ARG A 149 -17.769 60.765 14.297 1.00 78.57 N ATOM 1431 CZ ARG A 149 -17.965 59.532 14.756 1.00 85.19 C ATOM 1432 NH1 ARG A 149 -18.646 59.332 15.876 1.00 86.40 N ATOM 1433 NH2 ARG A 149 -17.480 58.495 14.092 1.00 89.20 N ATOM 1434 HE ARG A 149 -17.230 60.874 13.414 1.00 0.00 H ATOM 1435 HH12 ARG A 149 -18.795 58.365 16.228 1.00 0.00 H ATOM 1436 HH11 ARG A 149 -19.031 60.142 16.402 1.00 0.00 H ATOM 1437 HH22 ARG A 149 -17.633 57.531 14.450 1.00 0.00 H ATOM 1438 HH21 ARG A 149 -16.946 58.644 13.212 1.00 0.00 H ATOM 1439 H ARG A 149 -21.892 62.819 13.598 1.00 0.00 H ATOM 1440 N ALA A 150 -21.295 62.779 10.260 1.00 49.95 N ATOM 1441 CA ALA A 150 -21.479 62.705 8.813 1.00 50.16 C ATOM 1442 C ALA A 150 -22.066 64.002 8.256 1.00 50.83 C ATOM 1443 O ALA A 150 -21.646 64.472 7.191 1.00 49.56 O ATOM 1444 CB ALA A 150 -22.361 61.505 8.456 1.00 50.66 C ATOM 1445 H ALA A 150 -21.750 62.077 10.878 1.00 0.00 H ATOM 1446 N ARG A 151 -23.031 64.601 8.960 1.00 53.44 N ATOM 1447 CA ARG A 151 -23.591 65.874 8.503 1.00 56.19 C ATOM 1448 C ARG A 151 -22.507 66.941 8.375 1.00 49.40 C ATOM 1449 O ARG A 151 -22.439 67.663 7.372 1.00 46.15 O ATOM 1450 CB ARG A 151 -24.690 66.345 9.457 1.00 63.66 C ATOM 1451 CG ARG A 151 -26.008 65.599 9.325 1.00 74.04 C ATOM 1452 CD ARG A 151 -26.824 65.703 10.608 1.00 80.92 C ATOM 1453 NE ARG A 151 -28.117 65.042 10.482 1.00 89.43 N ATOM 1454 CZ ARG A 151 -28.790 64.515 11.500 1.00 95.24 C ATOM 1455 NH1 ARG A 151 -28.285 64.558 12.726 1.00 95.20 N ATOM 1456 NH2 ARG A 151 -29.965 63.935 11.289 1.00 99.87 N ATOM 1457 HE ARG A 151 -28.540 64.979 9.534 1.00 0.00 H ATOM 1458 HH12 ARG A 151 -28.813 64.145 13.521 1.00 0.00 H ATOM 1459 HH11 ARG A 151 -27.361 65.005 12.892 1.00 0.00 H ATOM 1460 HH22 ARG A 151 -30.492 63.523 12.085 1.00 0.00 H ATOM 1461 HH21 ARG A 151 -30.359 63.893 10.327 1.00 0.00 H ATOM 1462 H ARG A 151 -23.385 64.162 9.834 1.00 0.00 H ATOM 1463 N ILE A 152 -21.657 67.065 9.394 1.00 47.62 N ATOM 1464 CA ILE A 152 -20.580 68.051 9.345 1.00 45.38 C ATOM 1465 C ILE A 152 -19.631 67.747 8.192 1.00 46.47 C ATOM 1466 O ILE A 152 -19.339 68.616 7.356 1.00 45.02 O ATOM 1467 CB ILE A 152 -19.844 68.098 10.693 1.00 46.28 C ATOM 1468 CG1 ILE A 152 -20.785 68.642 11.772 1.00 45.56 C ATOM 1469 CG2 ILE A 152 -18.578 68.955 10.578 1.00 45.00 C ATOM 1470 CD1 ILE A 152 -20.230 68.554 13.167 1.00 45.30 C ATOM 1471 H ILE A 152 -21.761 66.455 10.230 1.00 0.00 H ATOM 1472 N LYS A 153 -19.134 66.507 8.126 1.00 45.99 N ATOM 1473 CA LYS A 153 -18.189 66.158 7.072 1.00 46.96 C ATOM 1474 C LYS A 153 -18.813 66.350 5.695 1.00 47.15 C ATOM 1475 O LYS A 153 -18.136 66.786 4.755 1.00 45.78 O ATOM 1476 CB LYS A 153 -17.698 64.720 7.262 1.00 50.09 C ATOM 1477 CG LYS A 153 -16.853 64.536 8.515 1.00 50.83 C ATOM 1478 CD LYS A 153 -16.294 63.125 8.628 1.00 56.40 C ATOM 1479 CE LYS A 153 -17.326 62.165 9.177 1.00 59.56 C ATOM 1480 NZ LYS A 153 -16.722 60.861 9.572 1.00 63.46 N ATOM 1481 HZ1 LYS A 153 -16.277 60.420 8.741 1.00 0.00 H ATOM 1482 HZ2 LYS A 153 -16.004 61.021 10.307 1.00 0.00 H ATOM 1483 HZ3 LYS A 153 -17.465 60.234 9.942 1.00 0.00 H ATOM 1484 H LYS A 153 -19.421 65.793 8.825 1.00 0.00 H ATOM 1485 N THR A 154 -20.110 66.055 5.564 1.00 48.22 N ATOM 1486 CA THR A 154 -20.789 66.250 4.287 1.00 51.66 C ATOM 1487 C THR A 154 -20.870 67.723 3.917 1.00 49.79 C ATOM 1488 O THR A 154 -20.690 68.087 2.749 1.00 51.25 O ATOM 1489 CB THR A 154 -22.190 65.646 4.335 1.00 56.17 C ATOM 1490 OG1 THR A 154 -22.092 64.220 4.293 1.00 57.88 O ATOM 1491 CG2 THR A 154 -23.017 66.125 3.155 1.00 59.06 C ATOM 1492 HG1 THR A 154 -21.567 63.903 5.071 1.00 0.00 H ATOM 1493 H THR A 154 -20.639 65.684 6.378 1.00 0.00 H ATOM 1494 N ARG A 155 -21.156 68.587 4.891 1.00 46.37 N ATOM 1495 CA ARG A 155 -21.197 70.010 4.595 1.00 44.42 C ATOM 1496 C ARG A 155 -19.822 70.519 4.156 1.00 43.15 C ATOM 1497 O ARG A 155 -19.708 71.260 3.170 1.00 42.31 O ATOM 1498 CB ARG A 155 -21.711 70.768 5.819 1.00 43.07 C ATOM 1499 CG ARG A 155 -21.631 72.272 5.705 1.00 42.29 C ATOM 1500 CD ARG A 155 -22.478 72.828 4.571 1.00 44.21 C ATOM 1501 NE ARG A 155 -22.482 74.291 4.645 1.00 43.60 N ATOM 1502 CZ ARG A 155 -22.755 75.106 3.630 1.00 46.87 C ATOM 1503 NH1 ARG A 155 -23.051 74.609 2.434 1.00 49.45 N ATOM 1504 NH2 ARG A 155 -22.724 76.424 3.816 1.00 46.68 N ATOM 1505 HE ARG A 155 -22.254 74.726 5.562 1.00 0.00 H ATOM 1506 HH12 ARG A 155 -23.264 75.250 1.643 1.00 0.00 H ATOM 1507 HH11 ARG A 155 -23.070 73.579 2.289 1.00 0.00 H ATOM 1508 HH22 ARG A 155 -22.937 77.066 3.026 1.00 0.00 H ATOM 1509 HH21 ARG A 155 -22.487 76.812 4.752 1.00 0.00 H ATOM 1510 H ARG A 155 -21.348 68.246 5.855 1.00 0.00 H ATOM 1511 N LEU A 156 -18.761 70.119 4.866 1.00 42.34 N ATOM 1512 CA LEU A 156 -17.415 70.556 4.500 1.00 40.81 C ATOM 1513 C LEU A 156 -17.058 70.111 3.087 1.00 41.71 C ATOM 1514 O LEU A 156 -16.452 70.872 2.323 1.00 41.72 O ATOM 1515 CB LEU A 156 -16.398 70.020 5.511 1.00 41.49 C ATOM 1516 CG LEU A 156 -16.401 70.690 6.888 1.00 41.59 C ATOM 1517 CD1 LEU A 156 -15.629 69.880 7.925 1.00 42.50 C ATOM 1518 CD2 LEU A 156 -15.845 72.111 6.792 1.00 40.03 C ATOM 1519 H LEU A 156 -18.895 69.492 5.685 1.00 0.00 H ATOM 1520 N PHE A 157 -17.435 68.884 2.720 1.00 41.50 N ATOM 1521 CA PHE A 157 -17.159 68.381 1.375 1.00 46.05 C ATOM 1522 C PHE A 157 -17.918 69.177 0.319 1.00 46.92 C ATOM 1523 O PHE A 157 -17.383 69.472 -0.757 1.00 48.60 O ATOM 1524 CB PHE A 157 -17.529 66.900 1.297 1.00 47.79 C ATOM 1525 CG PHE A 157 -17.126 66.233 0.013 1.00 53.14 C ATOM 1526 CD1 PHE A 157 -15.788 66.043 -0.295 1.00 55.38 C ATOM 1527 CD2 PHE A 157 -18.087 65.765 -0.873 1.00 54.92 C ATOM 1528 CE1 PHE A 157 -15.413 65.411 -1.472 1.00 59.34 C ATOM 1529 CE2 PHE A 157 -17.721 65.139 -2.053 1.00 58.30 C ATOM 1530 CZ PHE A 157 -16.382 64.958 -2.352 1.00 60.51 C ATOM 1531 H PHE A 157 -17.933 68.276 3.401 1.00 0.00 H ATOM 1532 N THR A 158 -19.172 69.522 0.607 1.00 47.00 N ATOM 1533 CA THR A 158 -19.955 70.352 -0.301 1.00 49.94 C ATOM 1534 C THR A 158 -19.283 71.702 -0.529 1.00 46.87 C ATOM 1535 O THR A 158 -19.164 72.168 -1.668 1.00 47.08 O ATOM 1536 CB THR A 158 -21.362 70.541 0.268 1.00 54.54 C ATOM 1537 OG1 THR A 158 -22.032 69.275 0.309 1.00 58.77 O ATOM 1538 CG2 THR A 158 -22.159 71.527 -0.581 1.00 55.61 C ATOM 1539 HG1 THR A 158 -21.522 68.652 0.885 1.00 0.00 H ATOM 1540 H THR A 158 -19.600 69.193 1.496 1.00 0.00 H ATOM 1541 N ILE A 159 -18.855 72.355 0.551 1.00 43.11 N ATOM 1542 CA ILE A 159 -18.136 73.622 0.411 1.00 42.22 C ATOM 1543 C ILE A 159 -16.915 73.434 -0.482 1.00 44.71 C ATOM 1544 O ILE A 159 -16.679 74.200 -1.427 1.00 44.93 O ATOM 1545 CB ILE A 159 -17.739 74.168 1.792 1.00 39.28 C ATOM 1546 CG1 ILE A 159 -18.988 74.481 2.634 1.00 37.21 C ATOM 1547 CG2 ILE A 159 -16.835 75.399 1.629 1.00 40.44 C ATOM 1548 CD1 ILE A 159 -18.664 74.895 4.070 1.00 35.10 C ATOM 1549 H ILE A 159 -19.033 71.962 1.498 1.00 0.00 H ATOM 1550 N ARG A 160 -16.126 72.399 -0.189 1.00 46.04 N ATOM 1551 CA ARG A 160 -14.931 72.106 -0.969 1.00 49.07 C ATOM 1552 C ARG A 160 -15.260 71.941 -2.447 1.00 50.90 C ATOM 1553 O ARG A 160 -14.593 72.519 -3.315 1.00 51.30 O ATOM 1554 CB ARG A 160 -14.270 70.846 -0.418 1.00 52.13 C ATOM 1555 CG ARG A 160 -13.664 69.951 -1.469 1.00 59.33 C ATOM 1556 CD ARG A 160 -12.235 70.333 -1.739 1.00 64.24 C ATOM 1557 NE ARG A 160 -11.365 69.159 -1.714 1.00 70.71 N ATOM 1558 CZ ARG A 160 -11.160 68.361 -2.756 1.00 76.31 C ATOM 1559 NH1 ARG A 160 -11.760 68.610 -3.915 1.00 78.09 N ATOM 1560 NH2 ARG A 160 -10.351 67.319 -2.640 1.00 79.50 N ATOM 1561 HE ARG A 160 -10.876 68.934 -0.824 1.00 0.00 H ATOM 1562 HH12 ARG A 160 -11.598 67.984 -4.729 1.00 0.00 H ATOM 1563 HH11 ARG A 160 -12.392 69.431 -4.008 1.00 0.00 H ATOM 1564 HH22 ARG A 160 -10.189 66.693 -3.455 1.00 0.00 H ATOM 1565 HH21 ARG A 160 -9.877 67.127 -1.734 1.00 0.00 H ATOM 1566 H ARG A 160 -16.370 71.787 0.615 1.00 0.00 H ATOM 1567 N GLN A 161 -16.298 71.154 -2.751 1.00 52.26 N ATOM 1568 CA GLN A 161 -16.691 70.947 -4.143 1.00 56.12 C ATOM 1569 C GLN A 161 -17.174 72.245 -4.786 1.00 54.40 C ATOM 1570 O GLN A 161 -16.929 72.487 -5.974 1.00 55.02 O ATOM 1571 CB GLN A 161 -17.773 69.871 -4.226 1.00 60.46 C ATOM 1572 CG GLN A 161 -17.306 68.489 -3.800 1.00 64.69 C ATOM 1573 CD GLN A 161 -16.086 68.032 -4.577 1.00 69.94 C ATOM 1574 OE1 GLN A 161 -14.970 68.036 -4.057 1.00 72.25 O ATOM 1575 NE2 GLN A 161 -16.292 67.644 -5.831 1.00 71.75 N ATOM 1576 HE22 GLN A 161 -17.253 67.657 -6.228 1.00 0.00 H ATOM 1577 HE21 GLN A 161 -15.492 67.327 -6.415 1.00 0.00 H ATOM 1578 H GLN A 161 -16.830 70.685 -1.990 1.00 0.00 H ATOM 1579 N GLU A 162 -17.867 73.088 -4.021 1.00 52.25 N ATOM 1580 CA GLU A 162 -18.348 74.354 -4.569 1.00 56.43 C ATOM 1581 C GLU A 162 -17.188 75.267 -4.941 1.00 52.97 C ATOM 1582 O GLU A 162 -17.159 75.839 -6.038 1.00 53.38 O ATOM 1583 CB GLU A 162 -19.276 75.044 -3.569 1.00 61.97 C ATOM 1584 CG GLU A 162 -20.734 74.658 -3.735 1.00 70.79 C ATOM 1585 CD GLU A 162 -21.277 75.034 -5.104 1.00 79.31 C ATOM 1586 OE1 GLU A 162 -20.715 75.960 -5.737 1.00 81.81 O ATOM 1587 OE2 GLU A 162 -22.259 74.399 -5.549 1.00 82.90 O ATOM 1588 H GLU A 162 -18.066 72.844 -3.030 1.00 0.00 H ATOM 1589 N MET A 163 -16.225 75.420 -4.028 1.00 49.16 N ATOM 1590 CA MET A 163 -15.020 76.186 -4.332 1.00 49.22 C ATOM 1591 C MET A 163 -14.341 75.674 -5.599 1.00 51.24 C ATOM 1592 O MET A 163 -14.000 76.453 -6.498 1.00 51.00 O ATOM 1593 CB MET A 163 -14.055 76.120 -3.151 1.00 47.71 C ATOM 1594 CG MET A 163 -14.557 76.794 -1.895 1.00 45.39 C ATOM 1595 SD MET A 163 -13.320 76.695 -0.590 1.00 44.40 S ATOM 1596 CE MET A 163 -14.044 77.807 0.633 1.00 39.58 C ATOM 1597 H MET A 163 -16.335 74.988 -3.088 1.00 0.00 H ATOM 1598 N ALA A 164 -14.133 74.356 -5.684 1.00 53.00 N ATOM 1599 CA ALA A 164 -13.435 73.798 -6.839 1.00 57.31 C ATOM 1600 C ALA A 164 -14.164 74.119 -8.140 1.00 60.03 C ATOM 1601 O ALA A 164 -13.529 74.465 -9.146 1.00 62.09 O ATOM 1602 CB ALA A 164 -13.263 72.288 -6.671 1.00 57.79 C ATOM 1603 H ALA A 164 -14.469 73.727 -4.927 1.00 0.00 H ATOM 1604 N SER A 165 -15.499 74.012 -8.144 1.00 59.87 N ATOM 1605 CA SER A 165 -16.255 74.314 -9.356 1.00 62.66 C ATOM 1606 C SER A 165 -16.104 75.769 -9.780 1.00 61.66 C ATOM 1607 O SER A 165 -16.385 76.097 -10.938 1.00 63.55 O ATOM 1608 CB SER A 165 -17.735 73.985 -9.161 1.00 65.01 C ATOM 1609 OG SER A 165 -18.325 74.852 -8.206 1.00 65.14 O ATOM 1610 HG SER A 165 -17.859 74.751 -7.338 1.00 0.00 H ATOM 1611 H SER A 165 -15.998 73.713 -7.282 1.00 0.00 H ATOM 1612 N ARG A 166 -15.677 76.645 -8.869 1.00 59.14 N ATOM 1613 CA ARG A 166 -15.421 78.045 -9.172 1.00 60.72 C ATOM 1614 C ARG A 166 -13.935 78.346 -9.307 1.00 61.55 C ATOM 1615 O ARG A 166 -13.554 79.520 -9.355 1.00 61.37 O ATOM 1616 CB ARG A 166 -16.041 78.932 -8.094 1.00 60.12 C ATOM 1617 CG ARG A 166 -17.473 78.562 -7.798 1.00 64.37 C ATOM 1618 CD ARG A 166 -18.144 79.562 -6.889 1.00 67.66 C ATOM 1619 NE ARG A 166 -19.538 79.199 -6.662 1.00 73.93 N ATOM 1620 CZ ARG A 166 -20.473 80.044 -6.243 1.00 78.80 C ATOM 1621 NH1 ARG A 166 -20.167 81.316 -6.010 1.00 79.45 N ATOM 1622 NH2 ARG A 166 -21.717 79.616 -6.064 1.00 81.35 N ATOM 1623 HE ARG A 166 -19.818 78.213 -6.840 1.00 0.00 H ATOM 1624 HH12 ARG A 166 -20.901 81.976 -5.682 1.00 0.00 H ATOM 1625 HH11 ARG A 166 -19.194 81.652 -6.156 1.00 0.00 H ATOM 1626 HH22 ARG A 166 -22.452 80.275 -5.736 1.00 0.00 H ATOM 1627 HH21 ARG A 166 -21.957 78.622 -6.252 1.00 0.00 H ATOM 1628 H ARG A 166 -15.520 76.312 -7.897 1.00 0.00 H ATOM 1629 N SER A 167 -13.090 77.311 -9.367 1.00 61.80 N ATOM 1630 CA SER A 167 -11.637 77.474 -9.467 1.00 62.62 C ATOM 1631 C SER A 167 -11.070 78.276 -8.296 1.00 60.74 C ATOM 1632 O SER A 167 -10.105 79.029 -8.450 1.00 61.47 O ATOM 1633 CB SER A 167 -11.240 78.118 -10.798 1.00 64.69 C ATOM 1634 OG SER A 167 -11.423 77.210 -11.870 1.00 68.06 O ATOM 1635 HG SER A 167 -11.161 77.646 -12.719 1.00 0.00 H ATOM 1636 H SER A 167 -13.481 76.348 -9.342 1.00 0.00 H ATOM 1637 N LEU A 168 -11.668 78.125 -7.116 1.00 58.28 N ATOM 1638 CA LEU A 168 -11.191 78.789 -5.914 1.00 55.15 C ATOM 1639 C LEU A 168 -10.503 77.841 -4.944 1.00 55.39 C ATOM 1640 O LEU A 168 -9.856 78.309 -3.997 1.00 55.04 O ATOM 1641 CB LEU A 168 -12.359 79.479 -5.195 1.00 51.58 C ATOM 1642 CG LEU A 168 -13.101 80.577 -5.960 1.00 51.85 C ATOM 1643 CD1 LEU A 168 -14.442 80.866 -5.293 1.00 49.76 C ATOM 1644 CD2 LEU A 168 -12.255 81.847 -6.034 1.00 51.54 C ATOM 1645 H LEU A 168 -12.505 77.511 -7.052 1.00 0.00 H ATOM 1646 N TRP A 169 -10.618 76.527 -5.157 1.00 54.78 N ATOM 1647 CA TRP A 169 -10.209 75.577 -4.129 1.00 53.65 C ATOM 1648 C TRP A 169 -8.696 75.546 -3.958 1.00 54.79 C ATOM 1649 O TRP A 169 -8.191 75.568 -2.830 1.00 52.25 O ATOM 1650 CB TRP A 169 -10.729 74.177 -4.453 1.00 55.23 C ATOM 1651 CG TRP A 169 -10.106 73.145 -3.560 1.00 55.48 C ATOM 1652 CD1 TRP A 169 -9.193 72.180 -3.916 1.00 56.79 C ATOM 1653 CD2 TRP A 169 -10.308 73.004 -2.148 1.00 52.75 C ATOM 1654 NE1 TRP A 169 -8.838 71.439 -2.813 1.00 55.60 N ATOM 1655 CE2 TRP A 169 -9.503 71.925 -1.716 1.00 53.93 C ATOM 1656 CE3 TRP A 169 -11.100 73.677 -1.207 1.00 50.44 C ATOM 1657 CZ2 TRP A 169 -9.471 71.505 -0.387 1.00 51.85 C ATOM 1658 CZ3 TRP A 169 -11.066 73.260 0.110 1.00 48.30 C ATOM 1659 CH2 TRP A 169 -10.257 72.183 0.509 1.00 48.79 C ATOM 1660 HE1 TRP A 169 -8.173 70.639 -2.811 1.00 0.00 H ATOM 1661 H TRP A 169 -11.001 76.180 -6.060 1.00 0.00 H ATOM 1662 N ASP A 170 -7.951 75.479 -5.062 1.00 59.51 N ATOM 1663 CA ASP A 170 -6.517 75.247 -4.930 1.00 67.17 C ATOM 1664 C ASP A 170 -5.809 76.433 -4.289 1.00 64.89 C ATOM 1665 O ASP A 170 -4.832 76.247 -3.554 1.00 65.32 O ATOM 1666 CB ASP A 170 -5.915 74.898 -6.289 1.00 78.65 C ATOM 1667 CG ASP A 170 -6.073 73.424 -6.623 1.00 88.08 C ATOM 1668 OD1 ASP A 170 -5.411 72.593 -5.966 1.00 91.10 O ATOM 1669 OD2 ASP A 170 -6.884 73.093 -7.512 1.00 91.99 O ATOM 1670 H ASP A 170 -8.385 75.590 -6.001 1.00 0.00 H ATOM 1671 N SER A 171 -6.290 77.652 -4.537 1.00 62.21 N ATOM 1672 CA SER A 171 -5.810 78.793 -3.766 1.00 59.61 C ATOM 1673 C SER A 171 -6.206 78.664 -2.298 1.00 55.95 C ATOM 1674 O SER A 171 -5.383 78.890 -1.401 1.00 54.87 O ATOM 1675 CB SER A 171 -6.353 80.091 -4.361 1.00 58.97 C ATOM 1676 OG SER A 171 -6.007 81.200 -3.552 1.00 57.76 O ATOM 1677 HG SER A 171 -6.369 82.028 -3.957 1.00 0.00 H ATOM 1678 H SER A 171 -7.006 77.789 -5.279 1.00 0.00 H ATOM 1679 N PHE A 172 -7.459 78.288 -2.031 1.00 52.42 N ATOM 1680 CA PHE A 172 -7.897 78.141 -0.648 1.00 48.89 C ATOM 1681 C PHE A 172 -7.143 77.018 0.055 1.00 48.73 C ATOM 1682 O PHE A 172 -6.693 77.184 1.198 1.00 45.38 O ATOM 1683 CB PHE A 172 -9.406 77.889 -0.605 1.00 46.97 C ATOM 1684 CG PHE A 172 -9.954 77.718 0.784 1.00 45.28 C ATOM 1685 CD1 PHE A 172 -10.140 78.815 1.613 1.00 43.80 C ATOM 1686 CD2 PHE A 172 -10.308 76.461 1.251 1.00 46.25 C ATOM 1687 CE1 PHE A 172 -10.658 78.662 2.894 1.00 41.94 C ATOM 1688 CE2 PHE A 172 -10.821 76.297 2.526 1.00 45.09 C ATOM 1689 CZ PHE A 172 -11.005 77.402 3.347 1.00 43.17 C ATOM 1690 H PHE A 172 -8.123 78.100 -2.809 1.00 0.00 H ATOM 1691 N ARG A 173 -6.982 75.877 -0.623 1.00 52.27 N ATOM 1692 CA ARG A 173 -6.344 74.713 -0.016 1.00 58.05 C ATOM 1693 C ARG A 173 -4.922 75.003 0.451 1.00 61.03 C ATOM 1694 O ARG A 173 -4.467 74.421 1.445 1.00 62.19 O ATOM 1695 CB ARG A 173 -6.330 73.548 -1.005 1.00 63.41 C ATOM 1696 CG ARG A 173 -5.542 72.350 -0.508 1.00 69.85 C ATOM 1697 CD ARG A 173 -5.429 71.269 -1.562 1.00 78.09 C ATOM 1698 NE ARG A 173 -4.692 71.718 -2.742 1.00 85.85 N ATOM 1699 CZ ARG A 173 -3.365 71.738 -2.837 1.00 92.20 C ATOM 1700 NH1 ARG A 173 -2.617 71.348 -1.813 1.00 93.11 N ATOM 1701 NH2 ARG A 173 -2.784 72.156 -3.955 1.00 96.41 N ATOM 1702 HE ARG A 173 -5.242 72.044 -3.562 1.00 0.00 H ATOM 1703 HH12 ARG A 173 -1.580 71.365 -1.890 1.00 0.00 H ATOM 1704 HH11 ARG A 173 -3.068 71.025 -0.933 1.00 0.00 H ATOM 1705 HH22 ARG A 173 -1.747 72.171 -4.028 1.00 0.00 H ATOM 1706 HH21 ARG A 173 -3.366 72.468 -4.758 1.00 0.00 H ATOM 1707 H ARG A 173 -7.319 75.817 -1.605 1.00 0.00 H ATOM 1708 N GLN A 174 -4.195 75.873 -0.252 1.00 61.82 N ATOM 1709 CA GLN A 174 -2.792 76.123 0.048 1.00 62.69 C ATOM 1710 C GLN A 174 -2.584 77.368 0.898 1.00 60.12 C ATOM 1711 O GLN A 174 -1.449 77.831 1.037 1.00 60.25 O ATOM 1712 CB GLN A 174 -1.988 76.227 -1.248 1.00 66.50 C ATOM 1713 CG GLN A 174 -1.843 74.910 -1.979 1.00 70.36 C ATOM 1714 CD GLN A 174 -0.933 75.017 -3.185 1.00 75.45 C ATOM 1715 OE1 GLN A 174 -1.297 75.619 -4.198 1.00 76.50 O ATOM 1716 NE2 GLN A 174 0.262 74.438 -3.081 1.00 78.38 N ATOM 1717 HE22 GLN A 174 0.525 73.941 -2.206 1.00 0.00 H ATOM 1718 HE21 GLN A 174 0.932 74.483 -3.875 1.00 0.00 H ATOM 1719 H GLN A 174 -4.643 76.388 -1.037 1.00 0.00 H ATOM 1720 N SER A 175 -3.652 77.910 1.483 1.00 58.85 N ATOM 1721 CA SER A 175 -3.582 79.182 2.186 1.00 59.36 C ATOM 1722 C SER A 175 -3.360 79.040 3.689 1.00 58.80 C ATOM 1723 O SER A 175 -3.160 80.053 4.369 1.00 57.25 O ATOM 1724 CB SER A 175 -4.863 79.995 1.931 1.00 59.05 C ATOM 1725 OG SER A 175 -6.018 79.328 2.431 1.00 57.97 O ATOM 1726 HG SER A 175 -6.111 78.450 1.983 1.00 0.00 H ATOM 1727 H SER A 175 -4.562 77.409 1.436 1.00 0.00 H ATOM 1728 N GLU A 176 -3.392 77.827 4.228 1.00 59.81 N ATOM 1729 CA GLU A 176 -3.277 77.630 5.666 1.00 60.47 C ATOM 1730 C GLU A 176 -1.812 77.499 6.066 1.00 65.90 C ATOM 1731 O GLU A 176 -1.004 76.929 5.327 1.00 67.17 O ATOM 1732 CB GLU A 176 -4.067 76.393 6.095 1.00 59.30 C ATOM 1733 CG GLU A 176 -4.081 76.136 7.587 1.00 57.68 C ATOM 1734 CD GLU A 176 -4.909 74.912 7.937 1.00 56.96 C ATOM 1735 OE1 GLU A 176 -6.143 74.958 7.728 1.00 55.81 O ATOM 1736 OE2 GLU A 176 -4.322 73.898 8.393 1.00 56.47 O ATOM 1737 H GLU A 176 -3.502 76.999 3.609 1.00 0.00 H ATOM 1738 N ARG A 177 -1.474 78.035 7.238 1.00 69.84 N ATOM 1739 CA ARG A 177 -0.099 78.066 7.719 1.00 77.17 C ATOM 1740 C ARG A 177 -0.012 77.424 9.100 1.00 79.34 C ATOM 1741 O ARG A 177 -1.019 77.207 9.779 1.00 77.66 O ATOM 1742 CB ARG A 177 0.443 79.504 7.759 1.00 79.31 C ATOM 1743 CG ARG A 177 0.665 80.128 6.388 1.00 82.13 C ATOM 1744 CD ARG A 177 1.781 79.418 5.631 1.00 86.15 C ATOM 1745 NE ARG A 177 2.052 80.031 4.332 1.00 87.82 N ATOM 1746 CZ ARG A 177 1.405 79.727 3.211 1.00 87.59 C ATOM 1747 NH1 ARG A 177 0.442 78.816 3.227 1.00 86.23 N ATOM 1748 NH2 ARG A 177 1.719 80.331 2.073 1.00 89.12 N ATOM 1749 HE ARG A 177 2.800 80.752 4.281 1.00 0.00 H ATOM 1750 HH12 ARG A 177 -0.064 78.579 2.350 1.00 0.00 H ATOM 1751 HH11 ARG A 177 0.192 78.339 4.117 1.00 0.00 H ATOM 1752 HH22 ARG A 177 1.210 80.090 1.199 1.00 0.00 H ATOM 1753 HH21 ARG A 177 2.474 81.046 2.055 1.00 0.00 H ATOM 1754 H ARG A 177 -2.221 78.447 7.833 1.00 0.00 H ATOM 1755 N ALA A 178 1.217 77.118 9.512 1.00 82.84 N ATOM 1756 CA ALA A 178 1.465 76.466 10.796 1.00 83.05 C ATOM 1757 C ALA A 178 1.820 77.476 11.883 1.00 81.73 C ATOM 1758 O ALA A 178 1.706 77.184 13.074 1.00 80.37 O ATOM 1759 CB ALA A 178 2.570 75.432 10.655 1.00 86.19 C ATOM 1760 H ALA A 178 2.026 77.350 8.901 1.00 0.00 H TER 1761 ALA A 178 HETATM 1762 MN MN A 1 -11.512 76.286 17.077 1.00 31.22 MN HETATM 1763 MG MG A 2 -12.411 79.275 18.956 1.00 30.31 MG HETATM 1764 NA NA A 3 -7.420 78.606 19.466 1.00 62.65 NA HETATM 1765 O HOH 4 -13.902 88.765 17.303 1.00 55.88 O HETATM 1766 O HOH 5 -24.483 78.184 24.124 1.00 60.71 O HETATM 1767 O HOH 6 -26.918 74.486 26.126 1.00 61.52 O HETATM 1768 O HOH 7 -24.353 85.759 3.641 1.00 40.93 O HETATM 1769 O HOH 8 -8.941 75.662 7.697 1.00 41.94 O HETATM 1770 O HOH 9 -13.169 90.710 -2.962 1.00 58.54 O HETATM 1771 O HOH 10 -9.303 81.023 -3.174 1.00 53.62 O HETATM 1772 O HOH 11 -19.734 58.669 27.225 1.00 67.43 O HETATM 1773 O HOH 12 -11.105 78.406 20.384 1.00 33.21 O HETATM 1774 O HOH 13 -16.009 83.641 21.386 1.00 37.95 O HETATM 1775 O HOH 14 -21.663 88.296 22.255 1.00 30.33 O HETATM 1776 O HOH 15 -23.811 89.444 6.882 1.00 33.54 O HETATM 1777 O HOH 16 -24.188 79.073 6.922 1.00 46.98 O HETATM 1778 O HOH 17 -14.701 64.712 20.288 1.00 43.08 O HETATM 1779 O HOH 18 -6.182 92.632 4.753 1.00 50.27 O HETATM 1780 O HOH 19 -16.989 66.315 24.276 1.00 58.88 O HETATM 1781 O HOH 20 -18.886 83.240 37.619 1.00 47.86 O HETATM 1782 O HOH 21 -9.852 81.178 21.297 1.00 44.51 O HETATM 1783 O HOH 22 -24.545 68.311 5.687 1.00 53.23 O HETATM 1784 O HOH 23 -22.670 90.235 2.872 1.00 46.90 O HETATM 1785 O HOH 24 -10.160 97.438 11.625 1.00 39.55 O HETATM 1786 O HOH 25 -9.817 75.741 12.807 1.00 33.02 O HETATM 1787 O HOH 26 -13.160 80.226 20.751 1.00 29.95 O HETATM 1788 O HOH 27 -26.802 71.879 22.808 1.00 54.81 O HETATM 1789 O HOH 28 -7.884 78.452 -6.810 1.00 61.58 O HETATM 1790 O HOH 29 -12.358 70.597 29.901 1.00 51.72 O HETATM 1791 O HOH 30 -9.362 79.964 10.686 1.00 64.93 O HETATM 1792 O HOH 31 -10.695 87.032 -3.801 1.00 49.67 O HETATM 1793 O HOH 32 -21.817 91.174 6.936 1.00 52.91 O HETATM 1794 O HOH 33 -8.630 83.071 23.777 1.00 42.64 O HETATM 1795 O HOH 34 -14.628 91.217 21.997 1.00 32.54 O HETATM 1796 O HOH 35 -24.386 62.864 19.399 1.00 67.40 O HETATM 1797 O HOH 36 -23.020 86.356 23.798 1.00 25.81 O HETATM 1798 O HOH 37 -13.309 88.169 -4.079 1.00 54.26 O HETATM 1799 O HOH 38 -14.159 81.110 13.295 1.00 40.12 O HETATM 1800 O HOH 39 -10.481 64.785 27.290 1.00 55.99 O HETATM 1801 O HOH 40 -13.589 82.856 20.446 1.00 33.72 O HETATM 1802 O HOH 41 -14.172 95.779 3.980 1.00 63.41 O HETATM 1803 O HOH 42 -5.571 93.518 17.431 1.00 45.19 O HETATM 1804 O HOH 43 -18.772 84.504 35.019 1.00 47.25 O HETATM 1805 O HOH 44 -24.952 92.490 8.967 1.00 50.39 O HETATM 1806 O HOH 45 -20.322 93.175 14.187 1.00 43.36 O HETATM 1807 O HOH 46 -19.357 59.792 10.564 1.00 67.10 O HETATM 1808 O HOH 47 -25.121 77.252 1.178 1.00 58.14 O HETATM 1809 O HOH 48 -9.707 74.986 -7.679 1.00 53.18 O HETATM 1810 O HOH 49 -21.152 93.545 16.605 1.00 44.41 O HETATM 1811 O HOH 50 -2.803 91.503 13.444 1.00 62.99 O HETATM 1812 O HOH 51 -6.463 85.181 2.464 1.00 45.06 O HETATM 1813 O HOH 52 -26.487 63.990 23.097 1.00 62.65 O HETATM 1814 O HOH 53 -8.619 76.323 23.265 1.00 53.08 O HETATM 1815 O HOH 54 -8.639 75.758 25.370 1.00 54.36 O HETATM 1816 O HOH 55 -25.747 68.476 13.352 1.00 66.89 O HETATM 1817 O HOH 56 -10.109 77.428 10.821 1.00 59.43 O HETATM 1818 O HOH 57 -1.025 72.703 1.201 1.00 72.13 O HETATM 1819 O HOH 58 -16.048 93.956 4.920 1.00 51.11 O HETATM 1820 O HOH 59 -9.970 85.632 22.548 1.00 44.87 O HETATM 1821 O HOH 60 -24.125 88.318 4.467 1.00 42.59 O HETATM 1822 O HOH 61 -12.373 85.397 20.776 1.00 38.64 O HETATM 1823 C01 GY A 6 -8.492 79.977 14.990 1.00 0.16 C HETATM 1824 C27 GY A 6 -7.520 80.554 13.987 1.00 0.13 C HETATM 1825 C24 GY A 6 -6.054 80.423 14.423 1.00 -0.01 C HETATM 1826 C21 GY A 6 -5.910 81.614 15.355 1.00 -0.03 C HETATM 1827 C30 GY A 6 -6.583 82.722 14.567 1.00 0.04 C HETATM 1828 N29 GY A 6 -7.640 82.014 13.825 1.00 -0.25 N HETATM 1829 C33 GY A 6 -8.609 82.623 13.128 1.00 0.21 C HETATM 1830 C41 GY A 6 -8.500 84.107 12.928 1.00 0.08 C HETATM 1831 C39 GY A 6 -9.201 85.023 13.712 1.00 0.06 C HETATM 1832 C37 GY A 6 -9.086 86.387 13.517 1.00 -0.04 C HETATM 1833 C35 GY A 6 -8.257 86.863 12.529 1.00 -0.06 C HETATM 1834 C44 GY A 6 -7.545 85.993 11.736 1.00 -0.04 C HETATM 1835 C42 GY A 6 -7.667 84.630 11.940 1.00 0.06 C HETATM 1836 CL GY A 6 -6.755 83.564 10.916 1.00 -0.06 CL HETATM 1837 H14 GY A 6 -6.893 86.373 10.957 1.00 0.06 H HETATM 1838 H12 GY A 6 -8.164 87.932 12.374 1.00 0.07 H HETATM 1839 H13 GY A 6 -9.646 87.076 14.139 1.00 0.06 H HETATM 1840 CL2 GY A 6 -10.259 84.471 14.973 1.00 -0.06 CL HETATM 1841 O34 GY A 6 -9.563 81.996 12.671 1.00 -0.38 O HETATM 1842 H10 GY A 6 -5.873 83.204 13.879 1.00 0.05 H HETATM 1843 H11 GY A 6 -7.013 83.479 15.239 1.00 0.05 H HETATM 1844 H5 GY A 6 -4.852 81.846 15.545 1.00 0.03 H HETATM 1845 H6 GY A 6 -6.424 81.436 16.311 1.00 0.03 H HETATM 1846 H7 GY A 6 -5.875 79.475 14.951 1.00 0.03 H HETATM 1847 H8 GY A 6 -5.371 80.499 13.564 1.00 0.03 H HETATM 1848 H9 GY A 6 -7.682 80.047 13.024 1.00 0.08 H HETATM 1849 N02 GY A 6 -8.954 80.783 15.950 1.00 -0.30 N HETATM 1850 C03 GY A 6 -9.815 80.290 16.856 1.00 0.11 C HETATM 1851 C04 GY A 6 -10.224 78.987 16.827 1.00 0.18 C HETATM 1852 C07 GY A 6 -9.735 78.125 15.840 1.00 0.26 C HETATM 1853 N09 GY A 6 -8.859 78.666 14.927 1.00 -0.19 N HETATM 1854 H20 GY A 6 -8.485 78.086 14.204 1.00 0.25 H HETATM 1855 O08 GY A 6 -10.051 76.932 15.741 1.00 -0.40 O HETATM 1856 O05 GY A 6 -11.071 78.447 17.715 1.00 -0.33 O HETATM 1857 H22 GY A 6 -11.342 79.112 18.337 1.00 0.25 H HETATM 1858 C11 GY A 6 -10.310 81.224 17.932 1.00 0.20 C HETATM 1859 N13 GY A 6 -9.845 82.473 17.890 1.00 -0.29 N HETATM 1860 C14 GY A 6 -9.928 83.336 19.064 1.00 0.04 C HETATM 1861 C17 GY A 6 -9.277 84.677 18.848 1.00 0.00 C HETATM 1862 C52 GY A 6 -7.837 84.561 18.406 1.00 -0.04 C HETATM 1863 C50 GY A 6 -6.999 83.582 18.919 1.00 -0.06 C HETATM 1864 C48 GY A 6 -5.682 83.486 18.498 1.00 -0.07 C HETATM 1865 C46 GY A 6 -5.192 84.361 17.556 1.00 -0.07 C HETATM 1866 C55 GY A 6 -6.012 85.332 17.035 1.00 -0.07 C HETATM 1867 C53 GY A 6 -7.329 85.431 17.455 1.00 -0.06 C HETATM 1868 H18 GY A 6 -7.969 86.198 17.035 1.00 0.06 H HETATM 1869 H19 GY A 6 -5.628 86.023 16.293 1.00 0.06 H HETATM 1870 H15 GY A 6 -4.162 84.284 17.226 1.00 0.06 H HETATM 1871 H16 GY A 6 -5.037 82.720 18.912 1.00 0.06 H HETATM 1872 H17 GY A 6 -7.378 82.885 19.657 1.00 0.06 H HETATM 1873 H3 GY A 6 -9.311 85.241 19.792 1.00 0.04 H HETATM 1874 H4 GY A 6 -9.840 85.221 18.075 1.00 0.04 H HETATM 1875 H1 GY A 6 -10.988 83.495 19.309 1.00 0.05 H HETATM 1876 H2 GY A 6 -9.428 82.834 19.906 1.00 0.05 H HETATM 1877 H21 GY A 6 -9.436 82.821 17.047 1.00 0.18 H HETATM 1878 O12 GY A 6 -11.040 80.814 18.832 1.00 -0.39 O CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 397 395 396 1762 CONECT 584 583 1763 CONECT 847 846 1763 CONECT 848 846 1762 CONECT 968 967 1762 CONECT 974 973 1762 CONECT 1762 397 848 968 974 CONECT 1763 584 847 CONECT 1823 1824 1849 1853 CONECT 1824 1823 1825 1828 1848 CONECT 1825 1824 1826 1846 1847 CONECT 1826 1825 1827 1844 1845 CONECT 1827 1826 1828 1842 1843 CONECT 1828 1824 1827 1829 CONECT 1829 1828 1830 1841 CONECT 1830 1829 1831 1835 CONECT 1831 1830 1832 1840 CONECT 1832 1831 1833 1839 CONECT 1833 1832 1834 1838 CONECT 1834 1833 1835 1837 CONECT 1835 1830 1834 1836 CONECT 1836 1835 CONECT 1837 1834 CONECT 1838 1833 CONECT 1839 1832 CONECT 1840 1831 CONECT 1841 1829 CONECT 1842 1827 CONECT 1843 1827 CONECT 1844 1826 CONECT 1845 1826 CONECT 1846 1825 CONECT 1847 1825 CONECT 1848 1824 CONECT 1849 1823 1850 CONECT 1850 1849 1851 1858 CONECT 1851 1850 1852 1856 CONECT 1852 1851 1853 1855 CONECT 1853 1823 1852 1854 CONECT 1854 1853 CONECT 1855 1852 CONECT 1856 1851 1857 CONECT 1857 1856 CONECT 1858 1850 1859 1878 CONECT 1859 1858 1860 1877 CONECT 1860 1859 1861 1875 1876 CONECT 1861 1860 1862 1873 1874 CONECT 1862 1861 1863 1867 CONECT 1863 1862 1864 1872 CONECT 1864 1863 1865 1871 CONECT 1865 1864 1866 1870 CONECT 1866 1865 1867 1869 CONECT 1867 1862 1866 1868 CONECT 1868 1867 CONECT 1869 1866 CONECT 1870 1865 CONECT 1871 1864 CONECT 1872 1863 CONECT 1873 1861 CONECT 1874 1861 CONECT 1875 1860 CONECT 1876 1860 CONECT 1877 1859 CONECT 1878 1858 MASTER 0 0 0 0 0 0 0 0 1877 1 68 14 END
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RCSB PDB
PDBbind
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4m5r
RCSB PDB
PDBbind
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4m5u
RCSB PDB
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RCSB PDB
PDBbind
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4mk2
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PDBbind
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4w9s
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5cgv
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187aa, >5CGV_1|Chain... at 94%
5ega
RCSB PDB
PDBbind
187aa, >5EGA_1|Chain... at 94%
5w73
RCSB PDB
PDBbind
197aa, >5W73_1|Chain... at 93%
5w7u
RCSB PDB
PDBbind
197aa, >5W7U_1|Chain... at 93%
5w92
RCSB PDB
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197aa, >5W92_1|Chain... at 93%
5w9g
RCSB PDB
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197aa, >5W9G_1|Chain... at 93%
5wa7
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5wap
RCSB PDB
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5wb3
RCSB PDB
PDBbind
197aa, >5WB3_1|Chain... at 93%
5wdc
RCSB PDB
PDBbind
197aa, >5WDC_1|Chain... at 93%
5wdw
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PDBbind
197aa, >5WDW_1|Chain... at 93%
5we9
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187aa, >5WE9_1|Chain... at 94%
5web
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197aa, >5WEB_1|Chain... at 93%
5wef
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187aa, >5WEF_1|Chain... at 93%
5wei
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197aa, >5WEI_1|Chain... at 92%
5wf3
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PDBbind
197aa, >5WF3_1|Chain... at 92%
5wfm
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197aa, >5WFM_1|Chain... at 92%
5wfw
RCSB PDB
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197aa, >5WFW_1|Chain... at 92%
5wfz
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197aa, >5WFZ_1|Chain... at 92%
5wg9
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197aa, >5WG9_1|Chain... at 92%
6dcy
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192aa, >6DCY_1|Chain... at 96%
6dcz
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192aa, >6DCZ_1|Chain... at 96%
6dzq
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192aa, >6DZQ_1|Chain... at 96%
6e0q
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192aa, >6E0Q_1|Chain... at 96%
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241aa, >6NEM_1|Chain... at 100%
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241aa, >6NEL_1|Chain... at 100%
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RCSB PDB
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192aa, >6E6W_1|Chain... at 96%
6e6v
RCSB PDB
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192aa, >6E6V_1|Chain... at 96%
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192aa, >6E4C_1|Chain... at 96%
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192aa, >6E3P_1|Chain... at 96%
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192aa, >6E3N_1|Chain... at 96%
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RCSB PDB
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197aa, >5WA6_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5wdc
RCSB PDB
PDBbind
GY6
5wef
RCSB PDB
PDBbind
GY6
5wei
RCSB PDB
PDBbind
GY6
Entry Information
PDB ID
5w44
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase acidic protein
Ligand Name
GY6
EC.Number
E.C.3.1.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Ki=0.36uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 17139-17139
Ligand Properties
Formula
C
2
4
H
2
2
Cl
2
N
4
O
4
Molecular Weight
501.362
Exact Mass
500.102
No. of atoms
56
No. of bonds
59
Polar Surface Area
115.39
LOGP Value
4.09 (
Computed with XLOGP3
)
4.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
O=C(c1nc([nH]c(=O)c1O)[C@@H]1CCCN1C(=O)c1c(Cl)cccc1Cl)NCCc1ccccc1
InChI String
InChI=1S/C24H22Cl2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C3W5S0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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