Browse entries in the PDBbind-CN Database
HEADER 6E5L_COMPLEX COMPND 6E5L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 140 PRO VAL ASP PHE THR GLY TYR TRP LYS MET LEU VAL ASN SEQRES 2 A 140 GLU ASN PHE GLU GLU TYR LEU ARG ALA LEU ASP VAL ASN SEQRES 3 A 140 VAL ALA LEU ARG LYS ILE ALA ASN LEU LEU LYS PRO ASP SEQRES 4 A 140 LYS GLU ILE VAL GLN ASP GLY ASP HIS MET ILE ILE ARG SEQRES 5 A 140 THR LEU SER THR PHE ARG ASN TYR ILE MET ASP PHE GLN SEQRES 6 A 140 VAL GLY LYS GLU PHE GLU GLU ASP LEU THR GLY ILE ASP SEQRES 7 A 140 ASP ARG LYS CYS MET THR THR VAL SER TRP ASP GLY ASP SEQRES 8 A 140 LYS LEU GLN CYS VAL GLN LYS GLY GLU LYS GLU GLY ARG SEQRES 9 A 140 GLY TRP THR GLN TRP ILE GLU GLY ASP GLU LEU HIS LEU SEQRES 10 A 140 GLU MET ARG VAL GLU GLY VAL VAL CYS LYS GLN VAL PHE SEQRES 11 A 140 LYS LYS VAL GLN HIS HIS HIS HIS HIS HIS HET HVD A 443 53 ATOM 1 N PRO A 1 -26.725 4.873 -8.248 1.00 48.82 N ATOM 2 CA PRO A 1 -27.065 4.565 -6.855 1.00 56.70 C ATOM 3 C PRO A 1 -26.190 3.462 -6.266 1.00 27.27 C ATOM 4 O PRO A 1 -26.132 2.358 -6.809 1.00 44.71 O ATOM 5 CB PRO A 1 -28.518 4.099 -6.953 1.00 45.55 C ATOM 6 CG PRO A 1 -28.615 3.489 -8.305 1.00 52.56 C ATOM 7 CD PRO A 1 -27.690 4.284 -9.193 1.00 49.70 C ATOM 8 HN2 PRO A 1 -25.778 4.495 -8.455 1.00 0.00 H ATOM 9 HN1 PRO A 1 -26.720 5.906 -8.373 1.00 0.00 H ATOM 10 N VAL A 2 -25.517 3.773 -5.164 1.00 18.58 N ATOM 11 CA VAL A 2 -24.642 2.817 -4.492 1.00 13.79 C ATOM 12 C VAL A 2 -25.495 1.868 -3.668 1.00 12.10 C ATOM 13 O VAL A 2 -26.397 2.298 -2.937 1.00 14.40 O ATOM 14 CB VAL A 2 -23.622 3.554 -3.609 1.00 15.59 C ATOM 15 CG1 VAL A 2 -22.721 2.565 -2.867 1.00 17.67 C ATOM 16 CG2 VAL A 2 -22.786 4.492 -4.448 1.00 18.06 C ATOM 17 H VAL A 2 -25.617 4.729 -4.767 1.00 0.00 H ATOM 18 N ASP A 3 -25.205 0.576 -3.776 1.00 10.09 N ATOM 19 CA ASP A 3 -25.881 -0.449 -2.988 1.00 9.50 C ATOM 20 C ASP A 3 -24.815 -1.402 -2.470 1.00 8.40 C ATOM 21 O ASP A 3 -24.139 -2.063 -3.261 1.00 9.45 O ATOM 22 CB ASP A 3 -26.916 -1.179 -3.853 1.00 10.23 C ATOM 23 CG ASP A 3 -27.734 -2.191 -3.082 1.00 9.88 C ATOM 24 OD1 ASP A 3 -27.412 -2.506 -1.912 1.00 8.55 O ATOM 25 OD2 ASP A 3 -28.701 -2.705 -3.686 1.00 12.32 O ATOM 26 H ASP A 3 -24.467 0.284 -4.448 1.00 0.00 H ATOM 27 N PHE A 4 -24.646 -1.446 -1.148 1.00 7.44 N ATOM 28 CA PHE A 4 -23.612 -2.249 -0.504 1.00 6.81 C ATOM 29 C PHE A 4 -24.026 -3.696 -0.277 1.00 6.51 C ATOM 30 O PHE A 4 -23.223 -4.474 0.243 1.00 6.96 O ATOM 31 CB PHE A 4 -23.246 -1.630 0.850 1.00 8.17 C ATOM 32 CG PHE A 4 -22.545 -0.303 0.758 1.00 8.18 C ATOM 33 CD1 PHE A 4 -21.206 -0.245 0.435 1.00 9.09 C ATOM 34 CD2 PHE A 4 -23.198 0.881 1.040 1.00 10.59 C ATOM 35 CE1 PHE A 4 -20.537 0.957 0.380 1.00 9.25 C ATOM 36 CE2 PHE A 4 -22.522 2.085 0.985 1.00 11.59 C ATOM 37 CZ PHE A 4 -21.192 2.117 0.643 1.00 10.86 C ATOM 38 H PHE A 4 -25.281 -0.882 -0.548 1.00 0.00 H ATOM 39 N THR A 5 -25.249 -4.066 -0.636 1.00 5.68 N ATOM 40 CA THR A 5 -25.734 -5.410 -0.360 1.00 5.67 C ATOM 41 C THR A 5 -24.793 -6.448 -0.940 1.00 6.11 C ATOM 42 O THR A 5 -24.391 -6.362 -2.107 1.00 7.27 O ATOM 43 CB THR A 5 -27.133 -5.587 -0.956 1.00 5.89 C ATOM 44 OG1 THR A 5 -28.025 -4.648 -0.364 1.00 6.47 O ATOM 45 CG2 THR A 5 -27.678 -6.964 -0.701 1.00 6.72 C ATOM 46 HG1 THR A 5 -27.703 -3.729 -0.545 1.00 0.00 H ATOM 47 H THR A 5 -25.869 -3.386 -1.121 1.00 0.00 H ATOM 48 N GLY A 6 -24.475 -7.448 -0.141 1.00 5.70 N ATOM 49 CA GLY A 6 -23.625 -8.530 -0.591 1.00 6.34 C ATOM 50 C GLY A 6 -22.855 -9.140 0.555 1.00 5.21 C ATOM 51 O GLY A 6 -23.005 -8.777 1.723 1.00 5.66 O ATOM 52 H GLY A 6 -24.842 -7.459 0.832 1.00 0.00 H ATOM 53 N TYR A 7 -22.030 -10.102 0.171 1.00 5.53 N ATOM 54 CA TYR A 7 -21.157 -10.814 1.088 1.00 5.53 C ATOM 55 C TYR A 7 -19.731 -10.533 0.658 1.00 5.05 C ATOM 56 O TYR A 7 -19.406 -10.604 -0.530 1.00 6.05 O ATOM 57 CB TYR A 7 -21.461 -12.323 1.135 1.00 6.87 C ATOM 58 CG TYR A 7 -20.973 -13.003 2.410 1.00 7.20 C ATOM 59 CD1 TYR A 7 -19.669 -13.483 2.530 1.00 8.14 C ATOM 60 CD2 TYR A 7 -21.823 -13.150 3.501 1.00 7.88 C ATOM 61 CE1 TYR A 7 -19.237 -14.088 3.699 1.00 9.35 C ATOM 62 CE2 TYR A 7 -21.396 -13.753 4.669 1.00 9.25 C ATOM 63 CZ TYR A 7 -20.104 -14.221 4.760 1.00 8.98 C ATOM 64 OH TYR A 7 -19.679 -14.824 5.920 1.00 9.61 O ATOM 65 HH TYR A 7 -18.734 -15.100 5.820 1.00 0.00 H ATOM 66 H TYR A 7 -22.006 -10.360 -0.836 1.00 0.00 H ATOM 67 N TRP A 8 -18.889 -10.192 1.629 1.00 5.54 N ATOM 68 CA TRP A 8 -17.585 -9.609 1.364 1.00 5.85 C ATOM 69 C TRP A 8 -16.536 -10.259 2.252 1.00 5.80 C ATOM 70 O TRP A 8 -16.756 -10.438 3.451 1.00 7.26 O ATOM 71 CB TRP A 8 -17.645 -8.114 1.686 1.00 7.03 C ATOM 72 CG TRP A 8 -18.731 -7.323 0.990 1.00 6.32 C ATOM 73 CD1 TRP A 8 -20.004 -7.113 1.421 1.00 6.10 C ATOM 74 CD2 TRP A 8 -18.604 -6.615 -0.242 1.00 5.75 C ATOM 75 NE1 TRP A 8 -20.678 -6.311 0.528 1.00 6.65 N ATOM 76 CE2 TRP A 8 -19.833 -5.989 -0.498 1.00 6.67 C ATOM 77 CE3 TRP A 8 -17.559 -6.447 -1.159 1.00 6.76 C ATOM 78 CZ2 TRP A 8 -20.043 -5.206 -1.619 1.00 8.19 C ATOM 79 CZ3 TRP A 8 -17.769 -5.673 -2.264 1.00 8.79 C ATOM 80 CH2 TRP A 8 -18.997 -5.068 -2.497 1.00 8.92 C ATOM 81 HE1 TRP A 8 -21.667 -6.001 0.619 1.00 0.00 H ATOM 82 H TRP A 8 -19.175 -10.349 2.617 1.00 0.00 H ATOM 83 N LYS A 9 -15.403 -10.614 1.664 1.00 5.25 N ATOM 84 CA LYS A 9 -14.335 -11.289 2.373 1.00 5.94 C ATOM 85 C LYS A 9 -13.122 -10.369 2.507 1.00 4.88 C ATOM 86 O LYS A 9 -12.726 -9.710 1.552 1.00 5.34 O ATOM 87 CB LYS A 9 -13.983 -12.547 1.590 1.00 7.96 C ATOM 88 CG LYS A 9 -13.038 -13.427 2.280 1.00 6.72 C ATOM 89 CD LYS A 9 -12.937 -14.775 1.616 1.00 7.80 C ATOM 90 CE LYS A 9 -12.051 -15.690 2.430 1.00 8.98 C ATOM 91 NZ LYS A 9 -12.235 -17.122 2.106 1.00 8.52 N ATOM 92 HZ1 LYS A 9 -13.222 -17.394 2.291 1.00 0.00 H ATOM 93 HZ2 LYS A 9 -12.013 -17.280 1.102 1.00 0.00 H ATOM 94 HZ3 LYS A 9 -11.600 -17.694 2.698 1.00 0.00 H ATOM 95 H LYS A 9 -15.275 -10.400 0.654 1.00 0.00 H ATOM 96 N MET A 10 -12.517 -10.338 3.696 1.00 4.52 N ATOM 97 CA MET A 10 -11.410 -9.421 3.942 1.00 4.88 C ATOM 98 C MET A 10 -10.190 -9.777 3.107 1.00 5.21 C ATOM 99 O MET A 10 -9.705 -10.912 3.136 1.00 5.78 O ATOM 100 CB MET A 10 -11.037 -9.429 5.425 1.00 5.34 C ATOM 101 CG MET A 10 -9.915 -8.465 5.752 1.00 6.74 C ATOM 102 SD MET A 10 -9.614 -8.308 7.513 1.00 7.51 S ATOM 103 CE MET A 10 -10.962 -7.238 7.970 1.00 11.28 C ATOM 104 H MET A 10 -12.838 -10.974 4.454 1.00 0.00 H ATOM 105 N LEU A 11 -9.664 -8.781 2.407 1.00 4.51 N ATOM 106 CA LEU A 11 -8.440 -8.923 1.628 1.00 5.41 C ATOM 107 C LEU A 11 -7.240 -8.311 2.336 1.00 4.76 C ATOM 108 O LEU A 11 -6.183 -8.939 2.400 1.00 5.96 O ATOM 109 CB LEU A 11 -8.615 -8.267 0.255 1.00 5.37 C ATOM 110 CG LEU A 11 -7.466 -8.501 -0.720 1.00 6.33 C ATOM 111 CD1 LEU A 11 -7.526 -9.911 -1.284 1.00 6.71 C ATOM 112 CD2 LEU A 11 -7.501 -7.472 -1.828 1.00 8.85 C ATOM 113 H LEU A 11 -10.145 -7.859 2.414 1.00 0.00 H ATOM 114 N VAL A 12 -7.377 -7.085 2.834 1.00 4.88 N ATOM 115 CA VAL A 12 -6.317 -6.394 3.552 1.00 5.90 C ATOM 116 C VAL A 12 -6.911 -5.669 4.750 1.00 5.86 C ATOM 117 O VAL A 12 -8.080 -5.272 4.752 1.00 5.89 O ATOM 118 CB VAL A 12 -5.536 -5.395 2.672 1.00 6.33 C ATOM 119 CG1 VAL A 12 -4.774 -6.102 1.559 1.00 6.58 C ATOM 120 CG2 VAL A 12 -6.436 -4.340 2.102 1.00 9.50 C ATOM 121 H VAL A 12 -8.286 -6.597 2.704 1.00 0.00 H ATOM 122 N ASN A 13 -6.060 -5.464 5.754 1.00 5.97 N ATOM 123 CA ASN A 13 -6.425 -4.756 6.975 1.00 5.79 C ATOM 124 C ASN A 13 -5.159 -4.055 7.446 1.00 5.80 C ATOM 125 O ASN A 13 -4.270 -4.689 8.013 1.00 5.90 O ATOM 126 CB ASN A 13 -6.942 -5.734 8.016 1.00 6.64 C ATOM 127 CG ASN A 13 -7.356 -5.056 9.297 1.00 7.49 C ATOM 128 OD1 ASN A 13 -7.530 -3.840 9.345 1.00 7.82 O ATOM 129 ND2 ASN A 13 -7.535 -5.850 10.343 1.00 10.18 N ATOM 130 HD22 ASN A 13 -7.375 -6.874 10.252 1.00 0.00 H ATOM 131 HD21 ASN A 13 -7.836 -5.449 11.254 1.00 0.00 H ATOM 132 H ASN A 13 -5.089 -5.826 5.663 1.00 0.00 H ATOM 133 N GLU A 14 -5.078 -2.764 7.176 1.00 5.70 N ATOM 134 CA GLU A 14 -3.873 -1.980 7.367 1.00 6.22 C ATOM 135 C GLU A 14 -3.985 -1.084 8.593 1.00 6.73 C ATOM 136 O GLU A 14 -4.936 -0.306 8.720 1.00 6.42 O ATOM 137 CB GLU A 14 -3.696 -1.132 6.114 1.00 8.70 C ATOM 138 CG GLU A 14 -2.564 -0.190 6.088 1.00 12.15 C ATOM 139 CD GLU A 14 -2.527 0.566 4.759 1.00 12.21 C ATOM 140 OE1 GLU A 14 -1.444 0.752 4.234 1.00 12.84 O ATOM 141 OE2 GLU A 14 -3.582 0.964 4.208 1.00 18.86 O ATOM 142 H GLU A 14 -5.924 -2.284 6.807 1.00 0.00 H ATOM 143 N ASN A 15 -2.994 -1.191 9.481 1.00 7.09 N ATOM 144 CA ASN A 15 -2.846 -0.302 10.628 1.00 7.99 C ATOM 145 C ASN A 15 -3.919 -0.492 11.702 1.00 6.66 C ATOM 146 O ASN A 15 -4.192 0.431 12.473 1.00 7.77 O ATOM 147 CB ASN A 15 -2.751 1.167 10.214 1.00 8.65 C ATOM 148 CG ASN A 15 -2.001 2.005 11.231 1.00 10.15 C ATOM 149 OD1 ASN A 15 -1.022 1.545 11.824 1.00 11.33 O ATOM 150 ND2 ASN A 15 -2.438 3.227 11.435 1.00 10.41 N ATOM 151 HD22 ASN A 15 -3.267 3.576 10.914 1.00 0.00 H ATOM 152 HD21 ASN A 15 -1.954 3.845 12.118 1.00 0.00 H ATOM 153 H ASN A 15 -2.292 -1.947 9.348 1.00 0.00 H ATOM 154 N PHE A 16 -4.498 -1.690 11.797 1.00 6.86 N ATOM 155 CA PHE A 16 -5.575 -1.935 12.758 1.00 6.97 C ATOM 156 C PHE A 16 -5.073 -1.905 14.197 1.00 7.90 C ATOM 157 O PHE A 16 -5.774 -1.425 15.087 1.00 7.69 O ATOM 158 CB PHE A 16 -6.217 -3.282 12.439 1.00 7.25 C ATOM 159 CG PHE A 16 -7.518 -3.564 13.160 1.00 7.47 C ATOM 160 CD1 PHE A 16 -8.556 -2.650 13.164 1.00 7.87 C ATOM 161 CD2 PHE A 16 -7.722 -4.792 13.767 1.00 8.35 C ATOM 162 CE1 PHE A 16 -9.772 -2.953 13.773 1.00 9.27 C ATOM 163 CE2 PHE A 16 -8.922 -5.104 14.376 1.00 9.93 C ATOM 164 CZ PHE A 16 -9.951 -4.184 14.377 1.00 9.56 C ATOM 165 H PHE A 16 -4.179 -2.463 11.178 1.00 0.00 H ATOM 166 N GLU A 17 -3.879 -2.427 14.466 1.00 10.37 N ATOM 167 CA GLU A 17 -3.431 -2.454 15.857 1.00 12.86 C ATOM 168 C GLU A 17 -3.254 -1.046 16.418 1.00 10.58 C ATOM 169 O GLU A 17 -3.599 -0.790 17.569 1.00 10.56 O ATOM 170 CB GLU A 17 -2.175 -3.313 16.012 1.00 15.19 C ATOM 171 CG GLU A 17 -2.468 -4.801 15.767 1.00 18.71 C ATOM 172 CD GLU A 17 -1.450 -5.753 16.374 1.00 25.27 C ATOM 173 OE1 GLU A 17 -0.920 -5.473 17.472 1.00 27.98 O ATOM 174 OE2 GLU A 17 -1.195 -6.800 15.745 1.00 28.10 O ATOM 175 H GLU A 17 -3.280 -2.806 13.706 1.00 0.00 H ATOM 176 N GLU A 18 -2.744 -0.111 15.615 1.00 9.47 N ATOM 177 CA GLU A 18 -2.611 1.262 16.098 1.00 9.98 C ATOM 178 C GLU A 18 -3.962 1.935 16.292 1.00 8.05 C ATOM 179 O GLU A 18 -4.133 2.737 17.220 1.00 8.75 O ATOM 180 CB GLU A 18 -1.753 2.070 15.136 1.00 12.49 C ATOM 181 CG GLU A 18 -0.278 1.721 15.240 1.00 14.17 C ATOM 182 CD GLU A 18 0.328 2.119 16.571 1.00 18.29 C ATOM 183 OE1 GLU A 18 0.326 1.307 17.525 1.00 20.55 O ATOM 184 OE2 GLU A 18 0.796 3.265 16.666 1.00 24.09 O ATOM 185 H GLU A 18 -2.443 -0.358 14.651 1.00 0.00 H ATOM 186 N TYR A 19 -4.920 1.647 15.415 1.00 6.59 N ATOM 187 CA TYR A 19 -6.280 2.114 15.626 1.00 6.28 C ATOM 188 C TYR A 19 -6.822 1.586 16.955 1.00 5.60 C ATOM 189 O TYR A 19 -7.361 2.349 17.762 1.00 6.32 O ATOM 190 CB TYR A 19 -7.140 1.710 14.418 1.00 6.51 C ATOM 191 CG TYR A 19 -8.624 1.934 14.598 1.00 6.62 C ATOM 192 CD1 TYR A 19 -9.217 3.156 14.311 1.00 6.07 C ATOM 193 CD2 TYR A 19 -9.428 0.923 15.100 1.00 7.24 C ATOM 194 CE1 TYR A 19 -10.572 3.352 14.526 1.00 7.03 C ATOM 195 CE2 TYR A 19 -10.762 1.106 15.304 1.00 8.05 C ATOM 196 CZ TYR A 19 -11.335 2.319 15.024 1.00 7.16 C ATOM 197 OH TYR A 19 -12.679 2.456 15.251 1.00 9.20 O ATOM 198 HH TYR A 19 -12.962 3.373 15.009 1.00 0.00 H ATOM 199 H TYR A 19 -4.694 1.083 14.571 1.00 0.00 H ATOM 200 N LEU A 20 -6.638 0.289 17.224 1.00 6.15 N ATOM 201 CA LEU A 20 -7.100 -0.271 18.493 1.00 6.57 C ATOM 202 C LEU A 20 -6.340 0.323 19.677 1.00 6.84 C ATOM 203 O LEU A 20 -6.910 0.520 20.754 1.00 7.61 O ATOM 204 CB LEU A 20 -6.989 -1.794 18.481 1.00 8.04 C ATOM 205 CG LEU A 20 -7.932 -2.536 17.517 1.00 8.81 C ATOM 206 CD1 LEU A 20 -7.711 -4.018 17.630 1.00 9.30 C ATOM 207 CD2 LEU A 20 -9.400 -2.204 17.755 1.00 9.16 C ATOM 208 H LEU A 20 -6.165 -0.323 16.529 1.00 0.00 H ATOM 209 N ARG A 21 -5.048 0.601 19.510 1.00 6.65 N ATOM 210 CA ARG A 21 -4.291 1.222 20.588 1.00 7.52 C ATOM 211 C ARG A 21 -4.843 2.597 20.917 1.00 8.01 C ATOM 212 O ARG A 21 -4.912 2.979 22.088 1.00 8.47 O ATOM 213 CB ARG A 21 -2.811 1.296 20.221 1.00 8.99 C ATOM 214 CG ARG A 21 -1.946 1.763 21.383 1.00 11.39 C ATOM 215 CD ARG A 21 -0.473 1.572 21.103 1.00 14.11 C ATOM 216 NE ARG A 21 0.029 2.488 20.088 1.00 15.86 N ATOM 217 CZ ARG A 21 0.477 3.719 20.326 1.00 17.07 C ATOM 218 NH1 ARG A 21 0.475 4.219 21.555 1.00 20.20 N ATOM 219 NH2 ARG A 21 0.924 4.458 19.318 1.00 18.73 N ATOM 220 HE ARG A 21 0.038 2.155 19.103 1.00 0.00 H ATOM 221 HH12 ARG A 21 0.828 5.182 21.725 1.00 0.00 H ATOM 222 HH11 ARG A 21 0.120 3.648 22.348 1.00 0.00 H ATOM 223 HH22 ARG A 21 1.276 5.421 19.495 1.00 0.00 H ATOM 224 HH21 ARG A 21 0.922 4.074 18.351 1.00 0.00 H ATOM 225 H ARG A 21 -4.580 0.374 18.609 1.00 0.00 H ATOM 226 N ALA A 22 -5.272 3.342 19.899 1.00 7.70 N ATOM 227 CA ALA A 22 -5.872 4.648 20.120 1.00 8.10 C ATOM 228 C ALA A 22 -7.209 4.547 20.848 1.00 9.09 C ATOM 229 O ALA A 22 -7.625 5.514 21.492 1.00 11.59 O ATOM 230 CB ALA A 22 -6.010 5.388 18.793 1.00 8.97 C ATOM 231 H ALA A 22 -5.176 2.983 18.928 1.00 0.00 H ATOM 232 N LEU A 23 -7.879 3.399 20.773 1.00 7.75 N ATOM 233 CA LEU A 23 -9.071 3.121 21.564 1.00 8.34 C ATOM 234 C LEU A 23 -8.749 2.526 22.930 1.00 8.22 C ATOM 235 O LEU A 23 -9.675 2.187 23.674 1.00 9.74 O ATOM 236 CB LEU A 23 -9.989 2.156 20.810 1.00 7.71 C ATOM 237 CG LEU A 23 -10.586 2.671 19.505 1.00 8.44 C ATOM 238 CD1 LEU A 23 -11.439 1.578 18.871 1.00 9.60 C ATOM 239 CD2 LEU A 23 -11.423 3.926 19.724 1.00 9.06 C ATOM 240 H LEU A 23 -7.536 2.666 20.119 1.00 0.00 H ATOM 241 N ASP A 24 -7.470 2.384 23.269 1.00 8.42 N ATOM 242 CA ASP A 24 -7.039 1.875 24.569 1.00 10.90 C ATOM 243 C ASP A 24 -7.397 0.404 24.765 1.00 9.65 C ATOM 244 O ASP A 24 -7.547 -0.058 25.895 1.00 12.36 O ATOM 245 CB ASP A 24 -7.565 2.737 25.725 1.00 11.55 C ATOM 246 CG ASP A 24 -7.370 4.207 25.469 1.00 13.48 C ATOM 247 OD1 ASP A 24 -6.205 4.644 25.446 1.00 15.05 O ATOM 248 OD2 ASP A 24 -8.367 4.921 25.253 1.00 14.47 O ATOM 249 H ASP A 24 -6.742 2.648 22.575 1.00 0.00 H ATOM 250 N VAL A 25 -7.525 -0.349 23.675 1.00 9.29 N ATOM 251 CA VAL A 25 -7.730 -1.788 23.776 1.00 9.51 C ATOM 252 C VAL A 25 -6.443 -2.428 24.284 1.00 9.01 C ATOM 253 O VAL A 25 -5.351 -2.109 23.805 1.00 9.75 O ATOM 254 CB VAL A 25 -8.144 -2.342 22.401 1.00 8.65 C ATOM 255 CG1 VAL A 25 -8.235 -3.860 22.395 1.00 8.90 C ATOM 256 CG2 VAL A 25 -9.465 -1.724 21.958 1.00 10.21 C ATOM 257 H VAL A 25 -7.478 0.097 22.737 1.00 0.00 H ATOM 258 N ASN A 26 -6.561 -3.336 25.257 1.00 9.94 N ATOM 259 CA ASN A 26 -5.382 -3.933 25.876 1.00 11.51 C ATOM 260 C ASN A 26 -4.583 -4.735 24.852 1.00 10.12 C ATOM 261 O ASN A 26 -5.114 -5.234 23.859 1.00 9.71 O ATOM 262 CB ASN A 26 -5.773 -4.795 27.088 1.00 13.92 C ATOM 263 CG ASN A 26 -6.537 -6.049 26.706 1.00 15.03 C ATOM 264 OD1 ASN A 26 -5.967 -6.988 26.182 1.00 14.14 O ATOM 265 ND2 ASN A 26 -7.837 -6.072 26.991 1.00 17.38 N ATOM 266 HD22 ASN A 26 -8.286 -5.248 27.439 1.00 0.00 H ATOM 267 HD21 ASN A 26 -8.404 -6.914 26.765 1.00 0.00 H ATOM 268 H ASN A 26 -7.508 -3.622 25.578 1.00 0.00 H ATOM 269 N VAL A 27 -3.278 -4.841 25.096 1.00 11.82 N ATOM 270 CA VAL A 27 -2.375 -5.356 24.070 1.00 13.00 C ATOM 271 C VAL A 27 -2.696 -6.803 23.712 1.00 11.45 C ATOM 272 O VAL A 27 -2.611 -7.193 22.542 1.00 12.56 O ATOM 273 CB VAL A 27 -0.911 -5.164 24.502 1.00 17.42 C ATOM 274 CG1 VAL A 27 -0.602 -5.986 25.736 1.00 18.57 C ATOM 275 CG2 VAL A 27 0.035 -5.521 23.367 1.00 19.03 C ATOM 276 H VAL A 27 -2.900 -4.556 26.022 1.00 0.00 H ATOM 277 N ALA A 28 -3.057 -7.626 24.701 1.00 12.30 N ATOM 278 CA ALA A 28 -3.370 -9.023 24.404 1.00 12.11 C ATOM 279 C ALA A 28 -4.561 -9.119 23.461 1.00 11.39 C ATOM 280 O ALA A 28 -4.567 -9.937 22.534 1.00 12.56 O ATOM 281 CB ALA A 28 -3.650 -9.802 25.688 1.00 15.22 C ATOM 282 H ALA A 28 -3.115 -7.274 25.678 1.00 0.00 H ATOM 283 N LEU A 29 -5.577 -8.282 23.677 1.00 9.85 N ATOM 284 CA LEU A 29 -6.742 -8.294 22.802 1.00 8.90 C ATOM 285 C LEU A 29 -6.429 -7.688 21.433 1.00 8.53 C ATOM 286 O LEU A 29 -6.966 -8.143 20.419 1.00 9.20 O ATOM 287 CB LEU A 29 -7.907 -7.584 23.478 1.00 9.71 C ATOM 288 CG LEU A 29 -9.208 -7.531 22.676 1.00 10.14 C ATOM 289 CD1 LEU A 29 -9.654 -8.899 22.172 1.00 10.71 C ATOM 290 CD2 LEU A 29 -10.316 -6.904 23.509 1.00 11.79 C ATOM 291 H LEU A 29 -5.537 -7.617 24.475 1.00 0.00 H ATOM 292 N ARG A 30 -5.546 -6.688 21.367 1.00 8.44 N ATOM 293 CA ARG A 30 -5.137 -6.179 20.059 1.00 9.38 C ATOM 294 C ARG A 30 -4.513 -7.287 19.230 1.00 10.42 C ATOM 295 O ARG A 30 -4.768 -7.393 18.025 1.00 12.18 O ATOM 296 CB ARG A 30 -4.149 -5.017 20.207 1.00 9.28 C ATOM 297 CG ARG A 30 -4.727 -3.816 20.903 1.00 8.15 C ATOM 298 CD ARG A 30 -3.919 -2.569 20.689 1.00 9.96 C ATOM 299 NE ARG A 30 -2.502 -2.646 21.039 1.00 10.75 N ATOM 300 CZ ARG A 30 -1.964 -2.195 22.169 1.00 12.38 C ATOM 301 NH1 ARG A 30 -2.713 -1.711 23.153 1.00 13.03 N ATOM 302 NH2 ARG A 30 -0.652 -2.247 22.318 1.00 14.93 N ATOM 303 HE ARG A 30 -1.863 -3.089 20.349 1.00 0.00 H ATOM 304 HH12 ARG A 30 -2.265 -1.365 24.026 1.00 0.00 H ATOM 305 HH11 ARG A 30 -3.747 -1.678 23.051 1.00 0.00 H ATOM 306 HH22 ARG A 30 -0.214 -1.899 23.195 1.00 0.00 H ATOM 307 HH21 ARG A 30 -0.057 -2.636 21.559 1.00 0.00 H ATOM 308 H ARG A 30 -5.153 -6.276 22.237 1.00 0.00 H ATOM 309 N LYS A 31 -3.682 -8.115 19.868 1.00 11.81 N ATOM 310 CA LYS A 31 -3.019 -9.214 19.173 1.00 14.68 C ATOM 311 C LYS A 31 -4.049 -10.216 18.667 1.00 12.84 C ATOM 312 O LYS A 31 -4.020 -10.621 17.501 1.00 16.07 O ATOM 313 CB LYS A 31 -2.016 -9.872 20.134 1.00 17.39 C ATOM 314 CG LYS A 31 -1.220 -11.070 19.617 1.00 24.94 C ATOM 315 CD LYS A 31 -0.330 -11.648 20.727 1.00 28.33 C ATOM 316 CE LYS A 31 0.322 -12.964 20.321 1.00 30.41 C ATOM 317 NZ LYS A 31 1.334 -13.425 21.313 1.00 32.00 N ATOM 318 HZ1 LYS A 31 2.082 -12.708 21.401 1.00 0.00 H ATOM 319 HZ2 LYS A 31 0.875 -13.564 22.236 1.00 0.00 H ATOM 320 HZ3 LYS A 31 1.748 -14.323 20.992 1.00 0.00 H ATOM 321 H LYS A 31 -3.503 -7.974 20.883 1.00 0.00 H ATOM 322 N ILE A 32 -4.998 -10.587 19.523 1.00 10.62 N ATOM 323 CA ILE A 32 -6.071 -11.486 19.111 1.00 10.18 C ATOM 324 C ILE A 32 -6.849 -10.879 17.954 1.00 10.09 C ATOM 325 O ILE A 32 -7.117 -11.539 16.941 1.00 11.34 O ATOM 326 CB ILE A 32 -6.992 -11.783 20.307 1.00 10.71 C ATOM 327 CG1 ILE A 32 -6.292 -12.680 21.330 1.00 13.32 C ATOM 328 CG2 ILE A 32 -8.310 -12.425 19.850 1.00 12.40 C ATOM 329 CD1 ILE A 32 -7.006 -12.776 22.652 1.00 16.30 C ATOM 330 H ILE A 32 -4.975 -10.231 20.500 1.00 0.00 H ATOM 331 N ALA A 33 -7.239 -9.612 18.104 1.00 8.91 N ATOM 332 CA ALA A 33 -8.175 -8.995 17.171 1.00 9.48 C ATOM 333 C ALA A 33 -7.572 -8.822 15.790 1.00 10.30 C ATOM 334 O ALA A 33 -8.283 -8.915 14.778 1.00 12.11 O ATOM 335 CB ALA A 33 -8.626 -7.646 17.725 1.00 10.54 C ATOM 336 H ALA A 33 -6.869 -9.054 18.900 1.00 0.00 H ATOM 337 N ASN A 34 -6.281 -8.546 15.714 1.00 11.10 N ATOM 338 CA ASN A 34 -5.686 -8.338 14.405 1.00 12.99 C ATOM 339 C ASN A 34 -5.406 -9.638 13.670 1.00 10.47 C ATOM 340 O ASN A 34 -5.131 -9.597 12.469 1.00 11.94 O ATOM 341 CB ASN A 34 -4.414 -7.518 14.517 1.00 15.05 C ATOM 342 CG ASN A 34 -3.897 -7.072 13.164 1.00 13.58 C ATOM 343 OD1 ASN A 34 -4.598 -6.411 12.385 1.00 15.19 O ATOM 344 ND2 ASN A 34 -2.657 -7.418 12.881 1.00 13.62 N ATOM 345 HD22 ASN A 34 -2.103 -7.974 13.564 1.00 0.00 H ATOM 346 HD21 ASN A 34 -2.232 -7.135 11.975 1.00 0.00 H ATOM 347 H ASN A 34 -5.702 -8.479 16.575 1.00 0.00 H ATOM 348 N LEU A 35 -5.496 -10.782 14.340 1.00 9.96 N ATOM 349 CA LEU A 35 -5.441 -12.051 13.636 1.00 9.99 C ATOM 350 C LEU A 35 -6.755 -12.388 12.954 1.00 10.49 C ATOM 351 O LEU A 35 -6.781 -13.253 12.074 1.00 13.40 O ATOM 352 CB LEU A 35 -5.064 -13.168 14.609 1.00 11.73 C ATOM 353 CG LEU A 35 -3.634 -13.113 15.157 1.00 15.50 C ATOM 354 CD1 LEU A 35 -3.433 -14.123 16.268 1.00 17.45 C ATOM 355 CD2 LEU A 35 -2.611 -13.346 14.050 1.00 18.45 C ATOM 356 H LEU A 35 -5.606 -10.769 15.374 1.00 0.00 H ATOM 357 N LEU A 36 -7.836 -11.723 13.330 1.00 9.45 N ATOM 358 CA LEU A 36 -9.149 -12.046 12.806 1.00 9.92 C ATOM 359 C LEU A 36 -9.353 -11.420 11.439 1.00 9.77 C ATOM 360 O LEU A 36 -8.921 -10.292 11.177 1.00 11.42 O ATOM 361 CB LEU A 36 -10.227 -11.522 13.749 1.00 9.92 C ATOM 362 CG LEU A 36 -10.119 -12.016 15.193 1.00 11.98 C ATOM 363 CD1 LEU A 36 -11.196 -11.414 16.064 1.00 13.46 C ATOM 364 CD2 LEU A 36 -10.183 -13.539 15.274 1.00 13.20 C ATOM 365 H LEU A 36 -7.741 -10.949 14.019 1.00 0.00 H ATOM 366 N LYS A 37 -10.033 -12.161 10.575 1.00 8.84 N ATOM 367 CA LYS A 37 -10.326 -11.736 9.210 1.00 9.11 C ATOM 368 C LYS A 37 -11.823 -11.878 8.991 1.00 8.21 C ATOM 369 O LYS A 37 -12.279 -12.758 8.256 1.00 9.20 O ATOM 370 CB LYS A 37 -9.550 -12.593 8.212 1.00 9.81 C ATOM 371 CG LYS A 37 -8.052 -12.617 8.456 1.00 10.24 C ATOM 372 CD LYS A 37 -7.420 -11.247 8.251 1.00 9.80 C ATOM 373 CE LYS A 37 -5.948 -11.229 8.650 1.00 11.98 C ATOM 374 NZ LYS A 37 -5.327 -9.854 8.510 1.00 10.08 N ATOM 375 HZ1 LYS A 37 -5.395 -9.543 7.520 1.00 0.00 H ATOM 376 HZ2 LYS A 37 -5.834 -9.182 9.121 1.00 0.00 H ATOM 377 HZ3 LYS A 37 -4.327 -9.896 8.793 1.00 0.00 H ATOM 378 H LYS A 37 -10.375 -13.093 10.886 1.00 0.00 H ATOM 379 N PRO A 38 -12.619 -11.032 9.631 1.00 8.47 N ATOM 380 CA PRO A 38 -14.069 -11.200 9.532 1.00 7.34 C ATOM 381 C PRO A 38 -14.573 -10.929 8.126 1.00 7.39 C ATOM 382 O PRO A 38 -14.024 -10.107 7.387 1.00 9.52 O ATOM 383 CB PRO A 38 -14.615 -10.169 10.523 1.00 8.74 C ATOM 384 CG PRO A 38 -13.569 -9.124 10.563 1.00 11.29 C ATOM 385 CD PRO A 38 -12.260 -9.877 10.464 1.00 9.33 C ATOM 386 N ASP A 39 -15.653 -11.627 7.774 1.00 7.03 N ATOM 387 CA ASP A 39 -16.435 -11.303 6.595 1.00 7.18 C ATOM 388 C ASP A 39 -17.398 -10.169 6.929 1.00 6.64 C ATOM 389 O ASP A 39 -17.670 -9.876 8.098 1.00 7.73 O ATOM 390 CB ASP A 39 -17.272 -12.503 6.136 1.00 8.10 C ATOM 391 CG ASP A 39 -16.448 -13.741 5.821 1.00 11.09 C ATOM 392 OD1 ASP A 39 -15.316 -13.635 5.314 1.00 12.34 O ATOM 393 OD2 ASP A 39 -16.972 -14.847 6.071 1.00 15.44 O ATOM 394 H ASP A 39 -15.945 -12.432 8.365 1.00 0.00 H ATOM 395 N LYS A 40 -17.952 -9.553 5.891 1.00 6.40 N ATOM 396 CA LYS A 40 -19.051 -8.610 6.048 1.00 7.00 C ATOM 397 C LYS A 40 -20.233 -9.100 5.241 1.00 6.13 C ATOM 398 O LYS A 40 -20.102 -9.394 4.052 1.00 7.75 O ATOM 399 CB LYS A 40 -18.689 -7.207 5.571 1.00 9.71 C ATOM 400 CG LYS A 40 -17.508 -6.585 6.236 1.00 14.41 C ATOM 401 CD LYS A 40 -17.896 -5.594 7.264 1.00 16.90 C ATOM 402 CE LYS A 40 -16.705 -4.856 7.803 1.00 14.43 C ATOM 403 NZ LYS A 40 -17.170 -4.169 9.000 1.00 14.05 N ATOM 404 HZ1 LYS A 40 -17.937 -3.514 8.746 1.00 0.00 H ATOM 405 HZ2 LYS A 40 -17.522 -4.868 9.685 1.00 0.00 H ATOM 406 HZ3 LYS A 40 -16.382 -3.636 9.421 1.00 0.00 H ATOM 407 H LYS A 40 -17.590 -9.750 4.936 1.00 0.00 H ATOM 408 N GLU A 41 -21.377 -9.177 5.884 1.00 5.75 N ATOM 409 CA GLU A 41 -22.636 -9.422 5.209 1.00 5.75 C ATOM 410 C GLU A 41 -23.477 -8.167 5.352 1.00 5.17 C ATOM 411 O GLU A 41 -23.789 -7.762 6.474 1.00 6.70 O ATOM 412 CB GLU A 41 -23.361 -10.616 5.824 1.00 6.85 C ATOM 413 CG GLU A 41 -24.684 -10.938 5.148 1.00 8.33 C ATOM 414 CD GLU A 41 -25.372 -12.086 5.825 1.00 9.47 C ATOM 415 OE1 GLU A 41 -26.249 -11.848 6.676 1.00 11.08 O ATOM 416 OE2 GLU A 41 -25.011 -13.232 5.526 1.00 12.01 O ATOM 417 H GLU A 41 -21.379 -9.057 6.917 1.00 0.00 H ATOM 418 N ILE A 42 -23.840 -7.554 4.231 1.00 5.02 N ATOM 419 CA ILE A 42 -24.554 -6.285 4.246 1.00 4.94 C ATOM 420 C ILE A 42 -25.873 -6.460 3.520 1.00 4.93 C ATOM 421 O ILE A 42 -25.915 -7.016 2.416 1.00 5.25 O ATOM 422 CB ILE A 42 -23.727 -5.164 3.593 1.00 5.51 C ATOM 423 CG1 ILE A 42 -22.401 -5.000 4.338 1.00 6.90 C ATOM 424 CG2 ILE A 42 -24.506 -3.865 3.587 1.00 6.40 C ATOM 425 CD1 ILE A 42 -21.441 -4.017 3.712 1.00 8.23 C ATOM 426 H ILE A 42 -23.608 -7.993 3.317 1.00 0.00 H ATOM 427 N VAL A 43 -26.941 -5.942 4.118 1.00 5.06 N ATOM 428 CA VAL A 43 -28.222 -5.804 3.440 1.00 5.60 C ATOM 429 C VAL A 43 -28.633 -4.340 3.527 1.00 5.13 C ATOM 430 O VAL A 43 -28.858 -3.810 4.625 1.00 6.08 O ATOM 431 CB VAL A 43 -29.311 -6.718 4.025 1.00 6.68 C ATOM 432 CG1 VAL A 43 -30.600 -6.556 3.235 1.00 8.71 C ATOM 433 CG2 VAL A 43 -28.854 -8.162 4.019 1.00 8.41 C ATOM 434 H VAL A 43 -26.859 -5.624 5.105 1.00 0.00 H ATOM 435 N GLN A 44 -28.731 -3.698 2.373 1.00 5.26 N ATOM 436 CA GLN A 44 -29.208 -2.330 2.257 1.00 5.74 C ATOM 437 C GLN A 44 -30.651 -2.391 1.773 1.00 6.13 C ATOM 438 O GLN A 44 -30.919 -2.887 0.681 1.00 8.28 O ATOM 439 CB GLN A 44 -28.307 -1.583 1.278 1.00 6.45 C ATOM 440 CG GLN A 44 -28.643 -0.124 1.103 1.00 8.08 C ATOM 441 CD GLN A 44 -27.630 0.565 0.223 1.00 8.53 C ATOM 442 OE1 GLN A 44 -26.439 0.286 0.306 1.00 9.04 O ATOM 443 NE2 GLN A 44 -28.098 1.448 -0.639 1.00 11.01 N ATOM 444 HE22 GLN A 44 -29.117 1.652 -0.673 1.00 0.00 H ATOM 445 HE21 GLN A 44 -27.448 1.940 -1.285 1.00 0.00 H ATOM 446 H GLN A 44 -28.452 -4.198 1.505 1.00 0.00 H ATOM 447 N ASP A 45 -31.576 -1.933 2.607 1.00 6.62 N ATOM 448 CA ASP A 45 -33.016 -2.143 2.414 1.00 7.27 C ATOM 449 C ASP A 45 -33.660 -0.764 2.535 1.00 6.81 C ATOM 450 O ASP A 45 -34.029 -0.339 3.627 1.00 6.95 O ATOM 451 CB ASP A 45 -33.509 -3.139 3.475 1.00 6.39 C ATOM 452 CG ASP A 45 -34.957 -3.544 3.327 1.00 6.98 C ATOM 453 OD1 ASP A 45 -35.579 -3.260 2.286 1.00 7.58 O ATOM 454 OD2 ASP A 45 -35.450 -4.202 4.277 1.00 6.94 O ATOM 455 H ASP A 45 -31.264 -1.397 3.442 1.00 0.00 H ATOM 456 N GLY A 46 -33.745 -0.045 1.425 1.00 8.77 N ATOM 457 CA GLY A 46 -34.094 1.366 1.519 1.00 10.61 C ATOM 458 C GLY A 46 -33.013 2.075 2.309 1.00 10.42 C ATOM 459 O GLY A 46 -31.822 1.905 2.041 1.00 13.17 O ATOM 460 H GLY A 46 -33.565 -0.483 0.499 1.00 0.00 H ATOM 461 N ASP A 47 -33.417 2.871 3.301 1.00 10.63 N ATOM 462 CA ASP A 47 -32.487 3.555 4.196 1.00 11.89 C ATOM 463 C ASP A 47 -32.131 2.729 5.424 1.00 8.79 C ATOM 464 O ASP A 47 -31.370 3.200 6.269 1.00 9.36 O ATOM 465 CB ASP A 47 -33.061 4.909 4.629 1.00 17.25 C ATOM 466 CG ASP A 47 -33.025 5.942 3.527 1.00 23.39 C ATOM 467 OD1 ASP A 47 -32.201 5.806 2.596 1.00 26.07 O ATOM 468 OD2 ASP A 47 -33.815 6.911 3.611 1.00 27.84 O ATOM 469 H ASP A 47 -34.438 3.010 3.443 1.00 0.00 H ATOM 470 N HIS A 48 -32.645 1.513 5.534 1.00 7.15 N ATOM 471 CA HIS A 48 -32.323 0.615 6.633 1.00 6.08 C ATOM 472 C HIS A 48 -31.137 -0.240 6.223 1.00 6.38 C ATOM 473 O HIS A 48 -31.229 -1.032 5.284 1.00 7.91 O ATOM 474 CB HIS A 48 -33.527 -0.284 6.899 1.00 6.45 C ATOM 475 CG HIS A 48 -33.318 -1.284 7.988 1.00 7.09 C ATOM 476 ND1 HIS A 48 -34.120 -2.398 8.118 1.00 8.69 N ATOM 477 CD2 HIS A 48 -32.437 -1.331 9.013 1.00 8.18 C ATOM 478 CE1 HIS A 48 -33.733 -3.091 9.176 1.00 9.33 C ATOM 479 NE2 HIS A 48 -32.713 -2.466 9.733 1.00 9.29 N ATOM 480 H HIS A 48 -33.308 1.186 4.803 1.00 0.00 H ATOM 481 N MET A 49 -30.025 -0.081 6.926 1.00 5.32 N ATOM 482 CA MET A 49 -28.794 -0.794 6.641 1.00 5.74 C ATOM 483 C MET A 49 -28.513 -1.776 7.771 1.00 5.63 C ATOM 484 O MET A 49 -28.655 -1.432 8.947 1.00 6.93 O ATOM 485 CB MET A 49 -27.647 0.220 6.563 1.00 6.73 C ATOM 486 CG MET A 49 -26.355 -0.288 5.975 1.00 9.65 C ATOM 487 SD MET A 49 -26.399 -0.416 4.187 1.00 13.22 S ATOM 488 CE MET A 49 -26.021 1.235 3.575 1.00 10.13 C ATOM 489 H MET A 49 -30.035 0.588 7.722 1.00 0.00 H ATOM 490 N ILE A 50 -28.104 -2.994 7.412 1.00 5.51 N ATOM 491 CA ILE A 50 -27.568 -3.957 8.357 1.00 5.85 C ATOM 492 C ILE A 50 -26.189 -4.340 7.857 1.00 5.30 C ATOM 493 O ILE A 50 -26.040 -4.785 6.714 1.00 7.32 O ATOM 494 CB ILE A 50 -28.461 -5.197 8.487 1.00 7.34 C ATOM 495 CG1 ILE A 50 -29.839 -4.788 8.989 1.00 9.12 C ATOM 496 CG2 ILE A 50 -27.819 -6.209 9.420 1.00 10.83 C ATOM 497 CD1 ILE A 50 -30.867 -5.882 8.887 1.00 10.92 C ATOM 498 H ILE A 50 -28.172 -3.266 6.410 1.00 0.00 H ATOM 499 N ILE A 51 -25.181 -4.137 8.697 1.00 5.62 N ATOM 500 CA ILE A 51 -23.807 -4.510 8.391 1.00 5.28 C ATOM 501 C ILE A 51 -23.382 -5.512 9.451 1.00 5.69 C ATOM 502 O ILE A 51 -23.229 -5.152 10.626 1.00 6.20 O ATOM 503 CB ILE A 51 -22.856 -3.306 8.373 1.00 6.44 C ATOM 504 CG1 ILE A 51 -23.305 -2.260 7.362 1.00 7.43 C ATOM 505 CG2 ILE A 51 -21.439 -3.794 8.073 1.00 7.80 C ATOM 506 CD1 ILE A 51 -22.539 -0.950 7.440 1.00 9.31 C ATOM 507 H ILE A 51 -25.382 -3.691 9.615 1.00 0.00 H ATOM 508 N ARG A 52 -23.209 -6.762 9.048 1.00 5.71 N ATOM 509 CA ARG A 52 -22.795 -7.818 9.960 1.00 5.94 C ATOM 510 C ARG A 52 -21.320 -8.111 9.729 1.00 6.54 C ATOM 511 O ARG A 52 -20.920 -8.511 8.632 1.00 8.50 O ATOM 512 CB ARG A 52 -23.612 -9.083 9.718 1.00 7.32 C ATOM 513 CG ARG A 52 -25.107 -8.862 9.731 1.00 7.83 C ATOM 514 CD ARG A 52 -25.865 -10.175 9.698 1.00 10.12 C ATOM 515 NE ARG A 52 -27.280 -9.934 9.965 1.00 10.86 N ATOM 516 CZ ARG A 52 -28.225 -9.776 9.050 1.00 11.30 C ATOM 517 NH1 ARG A 52 -27.959 -9.892 7.752 1.00 11.27 N ATOM 518 NH2 ARG A 52 -29.461 -9.507 9.451 1.00 12.84 N ATOM 519 HE ARG A 52 -27.572 -9.882 10.962 1.00 0.00 H ATOM 520 HH12 ARG A 52 -28.718 -9.764 7.052 1.00 0.00 H ATOM 521 HH11 ARG A 52 -26.992 -10.111 7.437 1.00 0.00 H ATOM 522 HH22 ARG A 52 -30.219 -9.379 8.750 1.00 0.00 H ATOM 523 HH21 ARG A 52 -29.672 -9.424 10.466 1.00 0.00 H ATOM 524 H ARG A 52 -23.374 -6.996 8.048 1.00 0.00 H ATOM 525 N THR A 53 -20.521 -7.913 10.763 1.00 5.34 N ATOM 526 CA THR A 53 -19.113 -8.269 10.745 1.00 5.47 C ATOM 527 C THR A 53 -19.022 -9.622 11.432 1.00 5.72 C ATOM 528 O THR A 53 -19.374 -9.746 12.606 1.00 6.68 O ATOM 529 CB THR A 53 -18.310 -7.190 11.467 1.00 7.40 C ATOM 530 OG1 THR A 53 -18.494 -5.937 10.794 1.00 9.92 O ATOM 531 CG2 THR A 53 -16.830 -7.523 11.480 1.00 9.74 C ATOM 532 HG1 THR A 53 -19.455 -5.698 10.801 1.00 0.00 H ATOM 533 H THR A 53 -20.916 -7.485 11.624 1.00 0.00 H ATOM 534 N LEU A 54 -18.589 -10.636 10.693 1.00 5.13 N ATOM 535 CA LEU A 54 -18.796 -12.027 11.074 1.00 5.71 C ATOM 536 C LEU A 54 -17.476 -12.757 11.228 1.00 6.73 C ATOM 537 O LEU A 54 -16.667 -12.795 10.298 1.00 7.42 O ATOM 538 CB LEU A 54 -19.612 -12.740 10.005 1.00 7.34 C ATOM 539 CG LEU A 54 -21.003 -12.161 9.741 1.00 7.61 C ATOM 540 CD1 LEU A 54 -21.627 -12.772 8.504 1.00 11.21 C ATOM 541 CD2 LEU A 54 -21.896 -12.344 10.948 1.00 8.45 C ATOM 542 H LEU A 54 -18.083 -10.430 9.808 1.00 0.00 H ATOM 543 N SER A 55 -17.291 -13.379 12.382 1.00 7.16 N ATOM 544 CA SER A 55 -16.160 -14.266 12.612 1.00 8.86 C ATOM 545 C SER A 55 -16.529 -15.280 13.690 1.00 8.88 C ATOM 546 O SER A 55 -17.441 -15.066 14.489 1.00 10.22 O ATOM 547 CB SER A 55 -14.917 -13.482 13.032 1.00 8.62 C ATOM 548 OG SER A 55 -15.001 -13.070 14.378 1.00 9.23 O ATOM 549 HG SER A 55 -15.794 -12.490 14.495 1.00 0.00 H ATOM 550 H SER A 55 -17.976 -13.229 13.150 1.00 0.00 H ATOM 551 N THR A 56 -15.786 -16.383 13.731 1.00 9.72 N ATOM 552 CA THR A 56 -16.001 -17.365 14.798 1.00 12.06 C ATOM 553 C THR A 56 -15.657 -16.793 16.170 1.00 11.62 C ATOM 554 O THR A 56 -16.248 -17.203 17.179 1.00 13.70 O ATOM 555 CB THR A 56 -15.205 -18.648 14.537 1.00 15.86 C ATOM 556 OG1 THR A 56 -13.813 -18.347 14.432 1.00 19.90 O ATOM 557 CG2 THR A 56 -15.658 -19.310 13.266 1.00 17.26 C ATOM 558 HG1 THR A 56 -13.669 -17.716 13.683 1.00 0.00 H ATOM 559 H THR A 56 -15.056 -16.548 13.009 1.00 0.00 H ATOM 560 N PHE A 57 -14.734 -15.827 16.228 1.00 10.87 N ATOM 561 CA PHE A 57 -14.421 -15.177 17.493 1.00 9.76 C ATOM 562 C PHE A 57 -15.599 -14.357 17.990 1.00 9.24 C ATOM 563 O PHE A 57 -15.941 -14.407 19.178 1.00 11.21 O ATOM 564 CB PHE A 57 -13.198 -14.288 17.312 1.00 9.95 C ATOM 565 CG PHE A 57 -12.814 -13.510 18.534 1.00 9.60 C ATOM 566 CD1 PHE A 57 -12.072 -14.098 19.533 1.00 10.75 C ATOM 567 CD2 PHE A 57 -13.157 -12.173 18.660 1.00 9.87 C ATOM 568 CE1 PHE A 57 -11.687 -13.380 20.643 1.00 11.07 C ATOM 569 CE2 PHE A 57 -12.778 -11.453 19.768 1.00 9.55 C ATOM 570 CZ PHE A 57 -12.039 -12.054 20.760 1.00 10.38 C ATOM 571 H PHE A 57 -14.236 -15.538 15.362 1.00 0.00 H ATOM 572 N ARG A 58 -16.236 -13.608 17.094 1.00 9.01 N ATOM 573 CA ARG A 58 -17.333 -12.745 17.474 1.00 8.22 C ATOM 574 C ARG A 58 -17.965 -12.162 16.225 1.00 6.77 C ATOM 575 O ARG A 58 -17.286 -11.859 15.235 1.00 7.46 O ATOM 576 CB ARG A 58 -16.849 -11.601 18.362 1.00 9.62 C ATOM 577 CG ARG A 58 -17.977 -11.024 19.184 1.00 10.55 C ATOM 578 CD ARG A 58 -17.531 -9.874 20.013 1.00 10.20 C ATOM 579 NE ARG A 58 -16.469 -10.276 20.928 1.00 9.70 N ATOM 580 CZ ARG A 58 -15.800 -9.441 21.698 1.00 9.64 C ATOM 581 NH1 ARG A 58 -16.093 -8.145 21.678 1.00 10.85 N ATOM 582 NH2 ARG A 58 -14.832 -9.904 22.470 1.00 10.27 N ATOM 583 HE ARG A 58 -16.224 -11.286 20.976 1.00 0.00 H ATOM 584 HH12 ARG A 58 -15.567 -7.484 22.284 1.00 0.00 H ATOM 585 HH11 ARG A 58 -16.848 -7.792 21.056 1.00 0.00 H ATOM 586 HH22 ARG A 58 -14.298 -9.254 23.081 1.00 0.00 H ATOM 587 HH21 ARG A 58 -14.604 -10.919 22.466 1.00 0.00 H ATOM 588 H ARG A 58 -15.939 -13.644 16.098 1.00 0.00 H ATOM 589 N ASN A 59 -19.262 -11.945 16.316 1.00 6.04 N ATOM 590 CA ASN A 59 -19.997 -11.157 15.347 1.00 6.27 C ATOM 591 C ASN A 59 -20.321 -9.809 15.963 1.00 6.31 C ATOM 592 O ASN A 59 -20.655 -9.725 17.147 1.00 9.21 O ATOM 593 CB ASN A 59 -21.314 -11.837 14.965 1.00 7.64 C ATOM 594 CG ASN A 59 -21.124 -13.181 14.309 1.00 7.85 C ATOM 595 OD1 ASN A 59 -20.072 -13.487 13.738 1.00 7.58 O ATOM 596 ND2 ASN A 59 -22.167 -13.988 14.351 1.00 9.78 N ATOM 597 HD22 ASN A 59 -23.034 -13.692 14.843 1.00 0.00 H ATOM 598 HD21 ASN A 59 -22.122 -14.920 13.893 1.00 0.00 H ATOM 599 H ASN A 59 -19.780 -12.357 17.118 1.00 0.00 H ATOM 600 N TYR A 60 -20.208 -8.750 15.165 1.00 6.11 N ATOM 601 CA TYR A 60 -20.595 -7.403 15.562 1.00 6.98 C ATOM 602 C TYR A 60 -21.602 -6.930 14.536 1.00 6.31 C ATOM 603 O TYR A 60 -21.294 -6.869 13.341 1.00 7.07 O ATOM 604 CB TYR A 60 -19.400 -6.455 15.641 1.00 7.70 C ATOM 605 CG TYR A 60 -19.845 -5.078 16.032 1.00 8.37 C ATOM 606 CD1 TYR A 60 -20.280 -4.825 17.323 1.00 12.83 C ATOM 607 CD2 TYR A 60 -19.892 -4.046 15.109 1.00 9.32 C ATOM 608 CE1 TYR A 60 -20.729 -3.581 17.696 1.00 13.78 C ATOM 609 CE2 TYR A 60 -20.329 -2.779 15.475 1.00 10.24 C ATOM 610 CZ TYR A 60 -20.758 -2.570 16.767 1.00 11.52 C ATOM 611 OH TYR A 60 -21.218 -1.338 17.161 1.00 14.89 O ATOM 612 HH TYR A 60 -20.501 -0.666 17.041 1.00 0.00 H ATOM 613 H TYR A 60 -19.824 -8.891 14.209 1.00 0.00 H ATOM 614 N ILE A 61 -22.808 -6.639 14.992 1.00 7.06 N ATOM 615 CA ILE A 61 -23.920 -6.330 14.112 1.00 7.62 C ATOM 616 C ILE A 61 -24.271 -4.856 14.245 1.00 7.72 C ATOM 617 O ILE A 61 -24.522 -4.366 15.351 1.00 10.32 O ATOM 618 CB ILE A 61 -25.140 -7.194 14.452 1.00 9.10 C ATOM 619 CG1 ILE A 61 -24.768 -8.683 14.567 1.00 10.45 C ATOM 620 CG2 ILE A 61 -26.236 -6.963 13.442 1.00 11.12 C ATOM 621 CD1 ILE A 61 -24.098 -9.265 13.346 1.00 11.50 C ATOM 622 H ILE A 61 -22.966 -6.631 16.020 1.00 0.00 H ATOM 623 N MET A 62 -24.246 -4.144 13.130 1.00 6.03 N ATOM 624 CA MET A 62 -24.767 -2.791 13.066 1.00 7.42 C ATOM 625 C MET A 62 -26.098 -2.857 12.347 1.00 7.65 C ATOM 626 O MET A 62 -26.212 -3.484 11.287 1.00 9.54 O ATOM 627 CB MET A 62 -23.870 -1.873 12.254 1.00 10.27 C ATOM 628 CG MET A 62 -22.557 -1.568 12.857 1.00 11.56 C ATOM 629 SD MET A 62 -21.870 -0.134 11.994 1.00 14.61 S ATOM 630 CE MET A 62 -22.660 1.254 12.780 1.00 14.30 C ATOM 631 H MET A 62 -23.840 -4.568 12.272 1.00 0.00 H ATOM 632 N ASP A 63 -27.091 -2.196 12.903 1.00 8.10 N ATOM 633 CA ASP A 63 -28.431 -2.209 12.331 1.00 7.37 C ATOM 634 C ASP A 63 -28.989 -0.819 12.584 1.00 8.97 C ATOM 635 O ASP A 63 -29.224 -0.445 13.735 1.00 11.87 O ATOM 636 CB ASP A 63 -29.246 -3.293 13.039 1.00 9.77 C ATOM 637 CG ASP A 63 -30.617 -3.492 12.458 1.00 11.71 C ATOM 638 OD1 ASP A 63 -31.152 -2.553 11.840 1.00 11.75 O ATOM 639 OD2 ASP A 63 -31.162 -4.600 12.647 1.00 15.83 O ATOM 640 H ASP A 63 -26.915 -1.651 13.771 1.00 0.00 H ATOM 641 N PHE A 64 -29.154 -0.029 11.530 1.00 6.48 N ATOM 642 CA PHE A 64 -29.470 1.382 11.693 1.00 7.69 C ATOM 643 C PHE A 64 -30.232 1.898 10.481 1.00 6.21 C ATOM 644 O PHE A 64 -30.336 1.239 9.441 1.00 6.63 O ATOM 645 CB PHE A 64 -28.192 2.204 11.909 1.00 8.53 C ATOM 646 CG PHE A 64 -27.198 2.057 10.800 1.00 8.07 C ATOM 647 CD1 PHE A 64 -27.254 2.868 9.680 1.00 8.82 C ATOM 648 CD2 PHE A 64 -26.229 1.076 10.855 1.00 8.58 C ATOM 649 CE1 PHE A 64 -26.357 2.719 8.652 1.00 9.91 C ATOM 650 CE2 PHE A 64 -25.315 0.916 9.835 1.00 9.32 C ATOM 651 CZ PHE A 64 -25.380 1.738 8.729 1.00 9.56 C ATOM 652 H PHE A 64 -29.056 -0.425 10.573 1.00 0.00 H ATOM 653 N GLN A 65 -30.751 3.108 10.632 1.00 6.63 N ATOM 654 CA GLN A 65 -31.362 3.857 9.548 1.00 6.40 C ATOM 655 C GLN A 65 -30.420 4.988 9.177 1.00 6.84 C ATOM 656 O GLN A 65 -29.962 5.738 10.044 1.00 7.22 O ATOM 657 CB GLN A 65 -32.708 4.436 9.991 1.00 8.50 C ATOM 658 CG GLN A 65 -33.528 5.014 8.864 1.00 11.80 C ATOM 659 CD GLN A 65 -34.251 3.946 8.055 1.00 13.11 C ATOM 660 OE1 GLN A 65 -34.180 2.757 8.363 1.00 14.16 O ATOM 661 NE2 GLN A 65 -34.953 4.371 7.019 1.00 18.05 N ATOM 662 HE22 GLN A 65 -34.986 5.386 6.794 1.00 0.00 H ATOM 663 HE21 GLN A 65 -35.473 3.691 6.429 1.00 0.00 H ATOM 664 H GLN A 65 -30.719 3.544 11.576 1.00 0.00 H ATOM 665 N VAL A 66 -30.109 5.101 7.893 1.00 7.40 N ATOM 666 CA VAL A 66 -29.241 6.184 7.451 1.00 8.58 C ATOM 667 C VAL A 66 -29.863 7.512 7.862 1.00 9.75 C ATOM 668 O VAL A 66 -31.071 7.723 7.706 1.00 11.90 O ATOM 669 CB VAL A 66 -28.988 6.077 5.941 1.00 12.03 C ATOM 670 CG1 VAL A 66 -28.185 7.244 5.448 1.00 17.51 C ATOM 671 CG2 VAL A 66 -28.247 4.795 5.613 1.00 13.18 C ATOM 672 H VAL A 66 -30.484 4.418 7.204 1.00 0.00 H ATOM 673 N GLY A 67 -29.048 8.402 8.422 1.00 9.39 N ATOM 674 CA GLY A 67 -29.492 9.711 8.831 1.00 11.57 C ATOM 675 C GLY A 67 -30.075 9.811 10.220 1.00 11.09 C ATOM 676 O GLY A 67 -30.376 10.927 10.659 1.00 15.88 O ATOM 677 H GLY A 67 -28.052 8.143 8.570 1.00 0.00 H ATOM 678 N LYS A 68 -30.241 8.704 10.935 1.00 8.95 N ATOM 679 CA LYS A 68 -30.859 8.711 12.258 1.00 8.82 C ATOM 680 C LYS A 68 -29.834 8.308 13.310 1.00 9.37 C ATOM 681 O LYS A 68 -29.348 7.174 13.302 1.00 9.39 O ATOM 682 CB LYS A 68 -32.056 7.762 12.300 1.00 8.72 C ATOM 683 CG LYS A 68 -33.148 8.078 11.282 1.00 13.91 C ATOM 684 CD LYS A 68 -33.701 9.486 11.439 1.00 30.29 C ATOM 685 CE LYS A 68 -34.973 9.686 10.622 1.00 46.39 C ATOM 686 NZ LYS A 68 -36.147 8.983 11.212 1.00 31.45 N ATOM 687 HZ1 LYS A 68 -35.952 7.962 11.257 1.00 0.00 H ATOM 688 HZ2 LYS A 68 -36.321 9.346 12.171 1.00 0.00 H ATOM 689 HZ3 LYS A 68 -36.984 9.151 10.619 1.00 0.00 H ATOM 690 H LYS A 68 -29.919 7.798 10.538 1.00 0.00 H ATOM 691 N GLU A 69 -29.534 9.225 14.229 1.00 9.08 N ATOM 692 CA GLU A 69 -28.584 8.951 15.293 1.00 8.77 C ATOM 693 C GLU A 69 -29.098 7.818 16.170 1.00 8.11 C ATOM 694 O GLU A 69 -30.293 7.728 16.460 1.00 9.75 O ATOM 695 CB GLU A 69 -28.381 10.207 16.134 1.00 9.78 C ATOM 696 CG GLU A 69 -27.290 10.081 17.168 1.00 10.26 C ATOM 697 CD GLU A 69 -26.995 11.393 17.878 1.00 11.69 C ATOM 698 OE1 GLU A 69 -27.840 11.858 18.664 1.00 15.46 O ATOM 699 OE2 GLU A 69 -25.907 11.955 17.664 1.00 13.86 O ATOM 700 H GLU A 69 -29.991 10.158 14.183 1.00 0.00 H ATOM 701 N PHE A 70 -28.187 6.949 16.592 1.00 8.19 N ATOM 702 CA PHE A 70 -28.534 5.819 17.441 1.00 8.21 C ATOM 703 C PHE A 70 -27.415 5.554 18.444 1.00 7.90 C ATOM 704 O PHE A 70 -26.262 5.937 18.239 1.00 8.35 O ATOM 705 CB PHE A 70 -28.829 4.571 16.601 1.00 9.29 C ATOM 706 CG PHE A 70 -27.645 4.064 15.823 1.00 9.82 C ATOM 707 CD1 PHE A 70 -27.301 4.621 14.596 1.00 10.05 C ATOM 708 CD2 PHE A 70 -26.883 3.018 16.310 1.00 12.91 C ATOM 709 CE1 PHE A 70 -26.220 4.144 13.875 1.00 11.89 C ATOM 710 CE2 PHE A 70 -25.806 2.539 15.587 1.00 14.05 C ATOM 711 CZ PHE A 70 -25.477 3.109 14.380 1.00 13.74 C ATOM 712 H PHE A 70 -27.195 7.080 16.307 1.00 0.00 H ATOM 713 N GLU A 71 -27.767 4.876 19.536 1.00 8.32 N ATOM 714 CA GLU A 71 -26.791 4.479 20.546 1.00 8.37 C ATOM 715 C GLU A 71 -26.108 3.194 20.092 1.00 7.86 C ATOM 716 O GLU A 71 -26.761 2.164 19.923 1.00 9.95 O ATOM 717 CB GLU A 71 -27.487 4.282 21.894 1.00 10.01 C ATOM 718 CG GLU A 71 -26.518 3.936 23.015 1.00 13.15 C ATOM 719 CD GLU A 71 -27.166 3.868 24.389 1.00 16.92 C ATOM 720 OE1 GLU A 71 -28.197 4.529 24.617 1.00 20.07 O ATOM 721 OE2 GLU A 71 -26.627 3.149 25.253 1.00 23.25 O ATOM 722 H GLU A 71 -28.766 4.622 19.672 1.00 0.00 H ATOM 723 N GLU A 72 -24.803 3.261 19.874 1.00 7.62 N ATOM 724 CA GLU A 72 -24.012 2.139 19.388 1.00 7.50 C ATOM 725 C GLU A 72 -23.224 1.556 20.558 1.00 6.98 C ATOM 726 O GLU A 72 -22.408 2.253 21.168 1.00 7.83 O ATOM 727 CB GLU A 72 -23.087 2.608 18.265 1.00 6.94 C ATOM 728 CG GLU A 72 -22.395 1.441 17.590 1.00 7.86 C ATOM 729 CD GLU A 72 -21.426 1.803 16.479 1.00 8.09 C ATOM 730 OE1 GLU A 72 -21.159 3.004 16.238 1.00 8.88 O ATOM 731 OE2 GLU A 72 -20.908 0.862 15.845 1.00 9.87 O ATOM 732 H GLU A 72 -24.318 4.162 20.060 1.00 0.00 H ATOM 733 N ASP A 73 -23.458 0.274 20.860 1.00 7.82 N ATOM 734 CA ASP A 73 -22.823 -0.394 22.002 1.00 8.22 C ATOM 735 C ASP A 73 -21.542 -1.081 21.542 1.00 7.73 C ATOM 736 O ASP A 73 -21.564 -2.192 21.009 1.00 9.24 O ATOM 737 CB ASP A 73 -23.782 -1.386 22.652 1.00 10.65 C ATOM 738 CG ASP A 73 -23.180 -2.070 23.861 1.00 12.08 C ATOM 739 OD1 ASP A 73 -21.994 -1.841 24.155 1.00 12.56 O ATOM 740 OD2 ASP A 73 -23.893 -2.853 24.525 1.00 14.74 O ATOM 741 H ASP A 73 -24.114 -0.269 20.263 1.00 0.00 H ATOM 742 N LEU A 74 -20.419 -0.411 21.769 1.00 7.37 N ATOM 743 CA LEU A 74 -19.089 -0.897 21.440 1.00 8.45 C ATOM 744 C LEU A 74 -18.351 -1.389 22.674 1.00 8.52 C ATOM 745 O LEU A 74 -17.121 -1.481 22.665 1.00 10.09 O ATOM 746 CB LEU A 74 -18.303 0.215 20.744 1.00 8.58 C ATOM 747 CG LEU A 74 -18.866 0.602 19.369 1.00 9.35 C ATOM 748 CD1 LEU A 74 -18.745 2.101 19.112 1.00 12.60 C ATOM 749 CD2 LEU A 74 -18.167 -0.184 18.277 1.00 13.09 C ATOM 750 H LEU A 74 -20.496 0.526 22.213 1.00 0.00 H ATOM 751 N THR A 75 -19.077 -1.714 23.739 1.00 9.16 N ATOM 752 CA THR A 75 -18.394 -2.019 24.986 1.00 10.68 C ATOM 753 C THR A 75 -17.528 -3.264 24.855 1.00 11.29 C ATOM 754 O THR A 75 -16.503 -3.374 25.534 1.00 13.15 O ATOM 755 CB THR A 75 -19.371 -2.142 26.159 1.00 12.97 C ATOM 756 OG1 THR A 75 -20.350 -3.141 25.879 1.00 14.72 O ATOM 757 CG2 THR A 75 -20.050 -0.807 26.442 1.00 15.01 C ATOM 758 HG1 THR A 75 -20.851 -2.891 25.063 1.00 0.00 H ATOM 759 H THR A 75 -20.115 -1.750 23.681 1.00 0.00 H ATOM 760 N GLY A 76 -17.897 -4.200 23.977 1.00 11.02 N ATOM 761 CA GLY A 76 -17.050 -5.363 23.770 1.00 11.50 C ATOM 762 C GLY A 76 -15.789 -5.088 22.971 1.00 11.97 C ATOM 763 O GLY A 76 -14.906 -5.949 22.917 1.00 14.36 O ATOM 764 H GLY A 76 -18.785 -4.098 23.445 1.00 0.00 H ATOM 765 N ILE A 77 -15.681 -3.920 22.357 1.00 11.71 N ATOM 766 CA ILE A 77 -14.490 -3.540 21.609 1.00 11.99 C ATOM 767 C ILE A 77 -13.570 -2.790 22.556 1.00 11.49 C ATOM 768 O ILE A 77 -12.489 -3.271 22.906 1.00 12.81 O ATOM 769 CB ILE A 77 -14.856 -2.668 20.396 1.00 15.26 C ATOM 770 CG1 ILE A 77 -15.880 -3.380 19.505 1.00 18.38 C ATOM 771 CG2 ILE A 77 -13.611 -2.280 19.625 1.00 17.49 C ATOM 772 CD1 ILE A 77 -15.452 -4.719 18.982 1.00 20.37 C ATOM 773 H ILE A 77 -16.475 -3.250 22.411 1.00 0.00 H ATOM 774 N ASP A 78 -14.013 -1.613 22.999 1.00 11.07 N ATOM 775 CA ASP A 78 -13.169 -0.703 23.759 1.00 11.40 C ATOM 776 C ASP A 78 -13.851 -0.183 25.019 1.00 11.08 C ATOM 777 O ASP A 78 -13.439 0.851 25.553 1.00 11.93 O ATOM 778 CB ASP A 78 -12.703 0.472 22.895 1.00 11.46 C ATOM 779 CG ASP A 78 -13.837 1.395 22.493 1.00 12.04 C ATOM 780 OD1 ASP A 78 -14.921 0.900 22.155 1.00 13.88 O ATOM 781 OD2 ASP A 78 -13.643 2.630 22.499 1.00 10.80 O ATOM 782 H ASP A 78 -14.994 -1.336 22.795 1.00 0.00 H ATOM 783 N ASP A 79 -14.881 -0.871 25.506 1.00 11.53 N ATOM 784 CA ASP A 79 -15.550 -0.504 26.748 1.00 11.18 C ATOM 785 C ASP A 79 -16.287 0.824 26.634 1.00 10.54 C ATOM 786 O ASP A 79 -16.481 1.502 27.642 1.00 12.60 O ATOM 787 CB ASP A 79 -14.582 -0.456 27.944 1.00 14.83 C ATOM 788 CG ASP A 79 -14.049 -1.813 28.334 1.00 20.81 C ATOM 789 OD1 ASP A 79 -14.856 -2.742 28.555 1.00 23.00 O ATOM 790 OD2 ASP A 79 -12.810 -1.946 28.448 1.00 25.42 O ATOM 791 H ASP A 79 -15.221 -1.702 24.981 1.00 0.00 H ATOM 792 N ARG A 80 -16.733 1.191 25.428 1.00 8.99 N ATOM 793 CA ARG A 80 -17.408 2.462 25.203 1.00 7.90 C ATOM 794 C ARG A 80 -18.694 2.271 24.413 1.00 7.85 C ATOM 795 O ARG A 80 -18.900 1.282 23.713 1.00 9.17 O ATOM 796 CB ARG A 80 -16.516 3.486 24.491 1.00 8.37 C ATOM 797 CG ARG A 80 -15.278 3.821 25.285 1.00 9.44 C ATOM 798 CD ARG A 80 -14.510 4.987 24.691 1.00 10.31 C ATOM 799 NE ARG A 80 -13.303 5.271 25.463 1.00 11.01 N ATOM 800 CZ ARG A 80 -12.119 4.702 25.252 1.00 11.33 C ATOM 801 NH1 ARG A 80 -11.938 3.853 24.250 1.00 11.99 N ATOM 802 NH2 ARG A 80 -11.092 5.021 26.028 1.00 13.08 N ATOM 803 HE ARG A 80 -13.374 5.967 26.232 1.00 0.00 H ATOM 804 HH12 ARG A 80 -11.006 3.417 24.100 1.00 0.00 H ATOM 805 HH11 ARG A 80 -12.728 3.623 23.614 1.00 0.00 H ATOM 806 HH22 ARG A 80 -10.164 4.580 25.869 1.00 0.00 H ATOM 807 HH21 ARG A 80 -11.215 5.712 26.796 1.00 0.00 H ATOM 808 H ARG A 80 -16.593 0.547 24.623 1.00 0.00 H ATOM 809 N LYS A 81 -19.557 3.268 24.546 1.00 7.62 N ATOM 810 CA LYS A 81 -20.740 3.441 23.718 1.00 7.49 C ATOM 811 C LYS A 81 -20.655 4.796 23.042 1.00 7.20 C ATOM 812 O LYS A 81 -20.091 5.742 23.598 1.00 7.89 O ATOM 813 CB LYS A 81 -22.024 3.397 24.549 1.00 8.34 C ATOM 814 CG LYS A 81 -22.127 2.145 25.386 1.00 9.84 C ATOM 815 CD LYS A 81 -23.491 1.991 26.021 1.00 12.85 C ATOM 816 CE LYS A 81 -23.526 0.799 26.962 1.00 17.38 C ATOM 817 NZ LYS A 81 -24.875 0.651 27.553 1.00 20.92 N ATOM 818 HZ1 LYS A 81 -25.115 1.512 28.085 1.00 0.00 H ATOM 819 HZ2 LYS A 81 -25.571 0.506 26.794 1.00 0.00 H ATOM 820 HZ3 LYS A 81 -24.883 -0.168 28.194 1.00 0.00 H ATOM 821 H LYS A 81 -19.377 3.972 25.290 1.00 0.00 H ATOM 822 N CYS A 82 -21.232 4.890 21.851 1.00 6.84 N ATOM 823 CA CYS A 82 -21.211 6.122 21.081 1.00 7.21 C ATOM 824 C CYS A 82 -22.619 6.458 20.611 1.00 7.11 C ATOM 825 O CYS A 82 -23.487 5.589 20.520 1.00 8.76 O ATOM 826 CB CYS A 82 -20.287 6.009 19.859 1.00 7.92 C ATOM 827 SG CYS A 82 -18.565 5.863 20.294 1.00 9.17 S ATOM 828 H CYS A 82 -21.714 4.057 21.457 1.00 0.00 H ATOM 829 N MET A 83 -22.842 7.733 20.328 1.00 7.09 N ATOM 830 CA MET A 83 -24.035 8.173 19.619 1.00 6.81 C ATOM 831 C MET A 83 -23.629 8.343 18.164 1.00 6.64 C ATOM 832 O MET A 83 -22.861 9.252 17.822 1.00 7.47 O ATOM 833 CB MET A 83 -24.599 9.459 20.207 1.00 7.61 C ATOM 834 CG MET A 83 -25.131 9.290 21.633 1.00 8.45 C ATOM 835 SD MET A 83 -26.424 8.052 21.844 1.00 8.90 S ATOM 836 CE MET A 83 -27.675 8.691 20.762 1.00 11.71 C ATOM 837 H MET A 83 -22.141 8.443 20.622 1.00 0.00 H ATOM 838 N THR A 84 -24.121 7.447 17.323 1.00 6.43 N ATOM 839 CA THR A 84 -23.586 7.249 15.991 1.00 6.31 C ATOM 840 C THR A 84 -24.600 7.667 14.947 1.00 6.67 C ATOM 841 O THR A 84 -25.789 7.388 15.079 1.00 7.23 O ATOM 842 CB THR A 84 -23.206 5.789 15.828 1.00 6.22 C ATOM 843 OG1 THR A 84 -22.169 5.536 16.775 1.00 6.94 O ATOM 844 CG2 THR A 84 -22.729 5.483 14.421 1.00 6.80 C ATOM 845 HG1 THR A 84 -21.885 4.590 16.707 1.00 0.00 H ATOM 846 H THR A 84 -24.924 6.862 17.631 1.00 0.00 H ATOM 847 N THR A 85 -24.115 8.338 13.908 1.00 6.75 N ATOM 848 CA THR A 85 -24.943 8.668 12.761 1.00 7.53 C ATOM 849 C THR A 85 -24.209 8.262 11.499 1.00 7.70 C ATOM 850 O THR A 85 -23.030 8.595 11.320 1.00 7.78 O ATOM 851 CB THR A 85 -25.260 10.165 12.704 1.00 8.65 C ATOM 852 OG1 THR A 85 -25.828 10.589 13.949 1.00 10.13 O ATOM 853 CG2 THR A 85 -26.271 10.447 11.609 1.00 12.86 C ATOM 854 HG1 THR A 85 -26.030 11.557 13.905 1.00 0.00 H ATOM 855 H THR A 85 -23.118 8.634 13.916 1.00 0.00 H ATOM 856 N VAL A 86 -24.916 7.554 10.627 1.00 7.80 N ATOM 857 CA VAL A 86 -24.399 7.131 9.334 1.00 7.99 C ATOM 858 C VAL A 86 -25.190 7.878 8.274 1.00 8.51 C ATOM 859 O VAL A 86 -26.423 7.862 8.298 1.00 12.11 O ATOM 860 CB VAL A 86 -24.548 5.612 9.147 1.00 8.45 C ATOM 861 CG1 VAL A 86 -23.978 5.204 7.801 1.00 10.51 C ATOM 862 CG2 VAL A 86 -23.870 4.853 10.269 1.00 9.74 C ATOM 863 H VAL A 86 -25.889 7.288 10.881 1.00 0.00 H ATOM 864 N SER A 87 -24.488 8.531 7.348 1.00 8.37 N ATOM 865 CA SER A 87 -25.110 9.394 6.357 1.00 8.79 C ATOM 866 C SER A 87 -24.446 9.179 5.004 1.00 8.37 C ATOM 867 O SER A 87 -23.286 8.783 4.919 1.00 9.59 O ATOM 868 CB SER A 87 -24.960 10.867 6.767 1.00 12.04 C ATOM 869 OG SER A 87 -25.374 11.087 8.110 1.00 15.19 O ATOM 870 HG SER A 87 -24.821 10.537 8.719 1.00 0.00 H ATOM 871 H SER A 87 -23.454 8.419 7.334 1.00 0.00 H ATOM 872 N TRP A 88 -25.188 9.467 3.942 1.00 9.74 N ATOM 873 CA TRP A 88 -24.611 9.455 2.605 1.00 11.32 C ATOM 874 C TRP A 88 -23.818 10.730 2.352 1.00 11.90 C ATOM 875 O TRP A 88 -24.231 11.828 2.735 1.00 14.33 O ATOM 876 CB TRP A 88 -25.695 9.321 1.537 1.00 13.64 C ATOM 877 CG TRP A 88 -26.283 7.965 1.496 1.00 14.33 C ATOM 878 CD1 TRP A 88 -27.509 7.595 1.947 1.00 15.90 C ATOM 879 CD2 TRP A 88 -25.662 6.775 0.991 1.00 14.53 C ATOM 880 NE1 TRP A 88 -27.698 6.249 1.755 1.00 15.91 N ATOM 881 CE2 TRP A 88 -26.580 5.723 1.165 1.00 15.97 C ATOM 882 CE3 TRP A 88 -24.422 6.501 0.407 1.00 15.52 C ATOM 883 CZ2 TRP A 88 -26.299 4.418 0.777 1.00 16.26 C ATOM 884 CZ3 TRP A 88 -24.146 5.205 0.019 1.00 17.27 C ATOM 885 CH2 TRP A 88 -25.080 4.180 0.207 1.00 18.37 C ATOM 886 HE1 TRP A 88 -28.552 5.715 2.015 1.00 0.00 H ATOM 887 H TRP A 88 -26.193 9.704 4.066 1.00 0.00 H ATOM 888 N ASP A 89 -22.689 10.575 1.664 1.00 13.18 N ATOM 889 CA ASP A 89 -21.815 11.682 1.277 1.00 14.56 C ATOM 890 C ASP A 89 -21.379 11.365 -0.153 1.00 14.58 C ATOM 891 O ASP A 89 -20.370 10.694 -0.375 1.00 15.20 O ATOM 892 CB ASP A 89 -20.643 11.737 2.249 1.00 16.77 C ATOM 893 CG ASP A 89 -19.628 12.802 1.905 1.00 20.21 C ATOM 894 OD1 ASP A 89 -19.963 13.742 1.159 1.00 22.20 O ATOM 895 OD2 ASP A 89 -18.487 12.712 2.410 1.00 22.64 O ATOM 896 H ASP A 89 -22.413 9.612 1.386 1.00 0.00 H ATOM 897 N GLY A 90 -22.165 11.828 -1.120 1.00 17.55 N ATOM 898 CA GLY A 90 -21.955 11.384 -2.486 1.00 18.02 C ATOM 899 C GLY A 90 -22.150 9.882 -2.552 1.00 18.22 C ATOM 900 O GLY A 90 -23.175 9.353 -2.114 1.00 18.25 O ATOM 901 H GLY A 90 -22.925 12.503 -0.900 1.00 0.00 H ATOM 902 N ASP A 91 -21.159 9.174 -3.089 1.00 17.00 N ATOM 903 CA ASP A 91 -21.215 7.722 -3.197 1.00 16.64 C ATOM 904 C ASP A 91 -20.588 7.014 -2.002 1.00 14.07 C ATOM 905 O ASP A 91 -20.448 5.786 -2.019 1.00 14.56 O ATOM 906 CB ASP A 91 -20.540 7.258 -4.489 1.00 21.68 C ATOM 907 CG ASP A 91 -21.285 7.709 -5.732 1.00 27.65 C ATOM 908 OD1 ASP A 91 -22.465 8.101 -5.619 1.00 27.14 O ATOM 909 OD2 ASP A 91 -20.689 7.661 -6.825 1.00 33.03 O ATOM 910 H ASP A 91 -20.318 9.673 -3.443 1.00 0.00 H ATOM 911 N LYS A 92 -20.231 7.750 -0.962 1.00 12.84 N ATOM 912 CA LYS A 92 -19.657 7.172 0.236 1.00 13.02 C ATOM 913 C LYS A 92 -20.663 7.193 1.378 1.00 9.46 C ATOM 914 O LYS A 92 -21.553 8.047 1.443 1.00 11.47 O ATOM 915 CB LYS A 92 -18.411 7.954 0.636 1.00 15.82 C ATOM 916 CG LYS A 92 -17.405 8.056 -0.499 1.00 20.74 C ATOM 917 CD LYS A 92 -16.000 8.288 0.016 1.00 27.46 C ATOM 918 CE LYS A 92 -14.963 8.092 -1.083 1.00 30.70 C ATOM 919 NZ LYS A 92 -13.590 7.951 -0.515 1.00 32.61 N ATOM 920 HZ1 LYS A 92 -13.348 8.809 0.020 1.00 0.00 H ATOM 921 HZ2 LYS A 92 -13.561 7.127 0.118 1.00 0.00 H ATOM 922 HZ3 LYS A 92 -12.908 7.819 -1.289 1.00 0.00 H ATOM 923 H LYS A 92 -20.367 8.780 -1.006 1.00 0.00 H ATOM 924 N LEU A 93 -20.501 6.244 2.278 1.00 8.22 N ATOM 925 CA LEU A 93 -21.247 6.200 3.512 1.00 7.79 C ATOM 926 C LEU A 93 -20.333 6.699 4.624 1.00 7.23 C ATOM 927 O LEU A 93 -19.237 6.161 4.809 1.00 8.56 O ATOM 928 CB LEU A 93 -21.672 4.756 3.723 1.00 10.89 C ATOM 929 CG LEU A 93 -22.806 4.482 4.667 1.00 12.26 C ATOM 930 CD1 LEU A 93 -24.119 5.062 4.128 1.00 11.52 C ATOM 931 CD2 LEU A 93 -22.922 2.988 4.855 1.00 11.69 C ATOM 932 H LEU A 93 -19.805 5.494 2.090 1.00 0.00 H ATOM 933 N GLN A 94 -20.765 7.737 5.337 1.00 7.47 N ATOM 934 CA GLN A 94 -19.971 8.382 6.377 1.00 8.03 C ATOM 935 C GLN A 94 -20.576 8.101 7.735 1.00 8.77 C ATOM 936 O GLN A 94 -21.766 8.336 7.945 1.00 13.65 O ATOM 937 CB GLN A 94 -19.936 9.896 6.181 1.00 10.49 C ATOM 938 CG GLN A 94 -19.248 10.341 4.946 1.00 13.30 C ATOM 939 CD GLN A 94 -17.746 10.222 5.018 1.00 14.53 C ATOM 940 OE1 GLN A 94 -17.170 9.685 5.980 1.00 13.71 O ATOM 941 NE2 GLN A 94 -17.092 10.709 3.981 1.00 15.80 N ATOM 942 HE22 GLN A 94 -17.614 11.150 3.197 1.00 0.00 H ATOM 943 HE21 GLN A 94 -16.054 10.652 3.947 1.00 0.00 H ATOM 944 H GLN A 94 -21.717 8.107 5.143 1.00 0.00 H ATOM 945 N CYS A 95 -19.754 7.666 8.667 1.00 7.30 N ATOM 946 CA CYS A 95 -20.199 7.358 10.010 1.00 7.34 C ATOM 947 C CYS A 95 -19.429 8.230 10.987 1.00 7.49 C ATOM 948 O CYS A 95 -18.197 8.266 10.946 1.00 7.56 O ATOM 949 CB CYS A 95 -19.948 5.884 10.305 1.00 7.62 C ATOM 950 SG CYS A 95 -20.386 5.426 11.976 1.00 9.19 S ATOM 951 H CYS A 95 -18.749 7.539 8.430 1.00 0.00 H ATOM 952 N VAL A 96 -20.149 8.954 11.836 1.00 7.15 N ATOM 953 CA VAL A 96 -19.566 9.695 12.948 1.00 7.20 C ATOM 954 C VAL A 96 -20.043 9.044 14.234 1.00 6.48 C ATOM 955 O VAL A 96 -21.248 8.861 14.435 1.00 7.14 O ATOM 956 CB VAL A 96 -19.967 11.181 12.896 1.00 9.50 C ATOM 957 CG1 VAL A 96 -19.402 11.931 14.078 1.00 12.49 C ATOM 958 CG2 VAL A 96 -19.488 11.818 11.602 1.00 13.04 C ATOM 959 H VAL A 96 -21.179 8.994 11.701 1.00 0.00 H ATOM 960 N GLN A 97 -19.099 8.688 15.091 1.00 6.57 N ATOM 961 CA GLN A 97 -19.360 8.005 16.358 1.00 6.33 C ATOM 962 C GLN A 97 -19.022 8.988 17.478 1.00 6.94 C ATOM 963 O GLN A 97 -17.868 9.107 17.893 1.00 8.15 O ATOM 964 CB GLN A 97 -18.528 6.741 16.449 1.00 6.63 C ATOM 965 CG GLN A 97 -18.922 5.713 15.401 1.00 6.68 C ATOM 966 CD GLN A 97 -17.902 4.623 15.234 1.00 6.76 C ATOM 967 OE1 GLN A 97 -16.720 4.883 14.976 1.00 8.49 O ATOM 968 NE2 GLN A 97 -18.348 3.385 15.368 1.00 8.59 N ATOM 969 HE22 GLN A 97 -19.351 3.214 15.585 1.00 0.00 H ATOM 970 HE21 GLN A 97 -17.696 2.582 15.256 1.00 0.00 H ATOM 971 H GLN A 97 -18.112 8.907 14.849 1.00 0.00 H ATOM 972 N LYS A 98 -20.032 9.716 17.952 1.00 7.17 N ATOM 973 CA LYS A 98 -19.817 10.724 18.980 1.00 7.71 C ATOM 974 C LYS A 98 -19.687 10.066 20.343 1.00 8.06 C ATOM 975 O LYS A 98 -20.447 9.167 20.702 1.00 9.34 O ATOM 976 CB LYS A 98 -20.967 11.719 18.995 1.00 9.68 C ATOM 977 CG LYS A 98 -21.056 12.554 17.727 1.00 12.87 C ATOM 978 CD LYS A 98 -22.173 13.580 17.788 1.00 18.85 C ATOM 979 CE LYS A 98 -21.790 14.746 18.681 1.00 22.50 C ATOM 980 NZ LYS A 98 -22.938 15.630 19.011 1.00 23.54 N ATOM 981 HZ1 LYS A 98 -23.336 16.022 18.134 1.00 0.00 H ATOM 982 HZ2 LYS A 98 -23.667 15.079 19.507 1.00 0.00 H ATOM 983 HZ3 LYS A 98 -22.612 16.406 19.622 1.00 0.00 H ATOM 984 H LYS A 98 -20.991 9.561 17.581 1.00 0.00 H ATOM 985 N GLY A 99 -18.726 10.540 21.117 1.00 8.45 N ATOM 986 CA GLY A 99 -18.452 9.910 22.390 1.00 9.47 C ATOM 987 C GLY A 99 -17.204 10.484 23.005 1.00 8.70 C ATOM 988 O GLY A 99 -16.799 11.603 22.696 1.00 9.95 O ATOM 989 H GLY A 99 -18.169 11.363 20.812 1.00 0.00 H ATOM 990 N GLU A 100 -16.578 9.677 23.848 1.00 9.19 N ATOM 991 CA GLU A 100 -15.459 10.165 24.635 1.00 8.36 C ATOM 992 C GLU A 100 -14.242 10.444 23.763 1.00 8.88 C ATOM 993 O GLU A 100 -13.483 11.381 24.038 1.00 9.43 O ATOM 994 CB GLU A 100 -15.130 9.150 25.722 1.00 9.30 C ATOM 995 CG GLU A 100 -14.055 9.627 26.662 1.00 7.52 C ATOM 996 CD GLU A 100 -13.587 8.565 27.628 1.00 8.86 C ATOM 997 OE1 GLU A 100 -12.710 8.883 28.453 1.00 9.61 O ATOM 998 OE2 GLU A 100 -14.064 7.415 27.558 1.00 10.91 O ATOM 999 H GLU A 100 -16.889 8.690 23.947 1.00 0.00 H ATOM 1000 N LYS A 101 -14.031 9.643 22.721 1.00 8.88 N ATOM 1001 CA LYS A 101 -12.893 9.806 21.834 1.00 9.19 C ATOM 1002 C LYS A 101 -13.176 10.839 20.752 1.00 9.56 C ATOM 1003 O LYS A 101 -14.265 10.876 20.175 1.00 11.25 O ATOM 1004 CB LYS A 101 -12.568 8.470 21.167 1.00 10.20 C ATOM 1005 CG LYS A 101 -12.031 7.431 22.113 1.00 11.96 C ATOM 1006 CD LYS A 101 -10.590 7.772 22.483 1.00 15.53 C ATOM 1007 CE LYS A 101 -10.010 6.803 23.470 1.00 15.76 C ATOM 1008 NZ LYS A 101 -8.601 7.161 23.757 1.00 16.99 N ATOM 1009 HZ1 LYS A 101 -8.049 7.127 22.876 1.00 0.00 H ATOM 1010 HZ2 LYS A 101 -8.563 8.121 24.154 1.00 0.00 H ATOM 1011 HZ3 LYS A 101 -8.205 6.485 24.442 1.00 0.00 H ATOM 1012 H LYS A 101 -14.705 8.873 22.536 1.00 0.00 H ATOM 1013 N GLU A 102 -12.165 11.642 20.448 1.00 10.53 N ATOM 1014 CA GLU A 102 -12.268 12.637 19.394 1.00 10.32 C ATOM 1015 C GLU A 102 -12.108 11.992 18.021 1.00 8.78 C ATOM 1016 O GLU A 102 -11.293 11.087 17.832 1.00 9.51 O ATOM 1017 CB GLU A 102 -11.186 13.701 19.595 1.00 13.12 C ATOM 1018 CG GLU A 102 -11.263 14.870 18.624 1.00 14.92 C ATOM 1019 CD GLU A 102 -10.534 14.604 17.321 1.00 18.16 C ATOM 1020 OE1 GLU A 102 -9.519 13.877 17.340 1.00 19.42 O ATOM 1021 OE2 GLU A 102 -10.974 15.123 16.274 1.00 21.74 O ATOM 1022 H GLU A 102 -11.274 11.557 20.978 1.00 0.00 H ATOM 1023 N GLY A 103 -12.882 12.481 17.059 1.00 8.94 N ATOM 1024 CA GLY A 103 -12.669 12.117 15.666 1.00 9.11 C ATOM 1025 C GLY A 103 -12.894 10.658 15.347 1.00 8.35 C ATOM 1026 O GLY A 103 -12.241 10.121 14.444 1.00 8.18 O ATOM 1027 H GLY A 103 -13.653 13.135 17.305 1.00 0.00 H ATOM 1028 N ARG A 104 -13.821 10.005 16.037 1.00 7.39 N ATOM 1029 CA ARG A 104 -14.095 8.590 15.839 1.00 6.47 C ATOM 1030 C ARG A 104 -15.160 8.419 14.765 1.00 6.58 C ATOM 1031 O ARG A 104 -16.239 9.014 14.846 1.00 7.35 O ATOM 1032 CB ARG A 104 -14.565 7.973 17.158 1.00 6.97 C ATOM 1033 CG ARG A 104 -14.634 6.458 17.152 1.00 6.71 C ATOM 1034 CD ARG A 104 -15.118 5.949 18.500 1.00 7.74 C ATOM 1035 NE ARG A 104 -15.154 4.494 18.524 1.00 8.19 N ATOM 1036 CZ ARG A 104 -15.103 3.756 19.629 1.00 8.60 C ATOM 1037 NH1 ARG A 104 -15.056 4.326 20.827 1.00 9.42 N ATOM 1038 NH2 ARG A 104 -15.096 2.440 19.534 1.00 9.74 N ATOM 1039 HE ARG A 104 -15.225 3.997 17.613 1.00 0.00 H ATOM 1040 HH12 ARG A 104 -15.016 3.736 21.682 1.00 0.00 H ATOM 1041 HH11 ARG A 104 -15.059 5.363 20.910 1.00 0.00 H ATOM 1042 HH22 ARG A 104 -15.056 1.857 20.394 1.00 0.00 H ATOM 1043 HH21 ARG A 104 -15.130 1.986 18.599 1.00 0.00 H ATOM 1044 H ARG A 104 -14.374 10.526 16.748 1.00 0.00 H ATOM 1045 N GLY A 105 -14.866 7.598 13.767 1.00 6.63 N ATOM 1046 CA GLY A 105 -15.847 7.315 12.738 1.00 6.83 C ATOM 1047 C GLY A 105 -15.262 6.431 11.661 1.00 5.85 C ATOM 1048 O GLY A 105 -14.188 5.850 11.824 1.00 6.74 O ATOM 1049 H GLY A 105 -13.926 7.154 13.722 1.00 0.00 H ATOM 1050 N TRP A 106 -15.986 6.325 10.553 1.00 5.92 N ATOM 1051 CA TRP A 106 -15.517 5.529 9.432 1.00 5.89 C ATOM 1052 C TRP A 106 -16.192 6.001 8.160 1.00 5.78 C ATOM 1053 O TRP A 106 -17.191 6.718 8.185 1.00 6.74 O ATOM 1054 CB TRP A 106 -15.689 4.025 9.663 1.00 6.41 C ATOM 1055 CG TRP A 106 -17.036 3.498 10.075 1.00 6.60 C ATOM 1056 CD1 TRP A 106 -17.382 3.055 11.317 1.00 9.23 C ATOM 1057 CD2 TRP A 106 -18.186 3.262 9.235 1.00 6.33 C ATOM 1058 NE1 TRP A 106 -18.666 2.583 11.313 1.00 9.52 N ATOM 1059 CE2 TRP A 106 -19.185 2.709 10.052 1.00 7.96 C ATOM 1060 CE3 TRP A 106 -18.473 3.494 7.891 1.00 6.86 C ATOM 1061 CZ2 TRP A 106 -20.446 2.377 9.564 1.00 8.84 C ATOM 1062 CZ3 TRP A 106 -19.726 3.176 7.411 1.00 7.58 C ATOM 1063 CH2 TRP A 106 -20.696 2.622 8.243 1.00 7.36 C ATOM 1064 HE1 TRP A 106 -19.168 2.191 12.136 1.00 0.00 H ATOM 1065 H TRP A 106 -16.900 6.818 10.487 1.00 0.00 H ATOM 1066 N THR A 107 -15.627 5.571 7.039 1.00 5.63 N ATOM 1067 CA THR A 107 -16.128 5.873 5.709 1.00 5.47 C ATOM 1068 C THR A 107 -16.078 4.595 4.895 1.00 5.14 C ATOM 1069 O THR A 107 -15.065 3.895 4.904 1.00 5.83 O ATOM 1070 CB THR A 107 -15.248 6.927 5.026 1.00 7.79 C ATOM 1071 OG1 THR A 107 -15.081 8.065 5.877 1.00 9.32 O ATOM 1072 CG2 THR A 107 -15.850 7.359 3.710 1.00 9.26 C ATOM 1073 HG1 THR A 107 -15.967 8.462 6.073 1.00 0.00 H ATOM 1074 H THR A 107 -14.774 4.982 7.117 1.00 0.00 H ATOM 1075 N GLN A 108 -17.155 4.298 4.179 1.00 5.24 N ATOM 1076 CA GLN A 108 -17.267 3.073 3.402 1.00 5.49 C ATOM 1077 C GLN A 108 -17.695 3.402 1.978 1.00 5.80 C ATOM 1078 O GLN A 108 -18.546 4.266 1.760 1.00 6.56 O ATOM 1079 CB GLN A 108 -18.282 2.144 4.060 1.00 6.42 C ATOM 1080 CG GLN A 108 -18.337 0.769 3.482 1.00 7.79 C ATOM 1081 CD GLN A 108 -19.280 -0.126 4.273 1.00 9.71 C ATOM 1082 OE1 GLN A 108 -18.869 -0.779 5.217 1.00 13.57 O ATOM 1083 NE2 GLN A 108 -20.558 -0.131 3.901 1.00 10.64 N ATOM 1084 HE22 GLN A 108 -20.865 0.441 3.089 1.00 0.00 H ATOM 1085 HE21 GLN A 108 -21.249 -0.707 4.422 1.00 0.00 H ATOM 1086 H GLN A 108 -17.951 4.968 4.173 1.00 0.00 H ATOM 1087 N TRP A 109 -17.124 2.694 1.005 1.00 5.61 N ATOM 1088 CA TRP A 109 -17.438 2.926 -0.397 1.00 6.28 C ATOM 1089 C TRP A 109 -17.079 1.678 -1.191 1.00 5.98 C ATOM 1090 O TRP A 109 -16.466 0.747 -0.676 1.00 6.71 O ATOM 1091 CB TRP A 109 -16.749 4.181 -0.926 1.00 7.69 C ATOM 1092 CG TRP A 109 -15.257 4.118 -1.068 1.00 7.44 C ATOM 1093 CD1 TRP A 109 -14.572 3.903 -2.221 1.00 8.35 C ATOM 1094 CD2 TRP A 109 -14.262 4.338 -0.051 1.00 7.65 C ATOM 1095 NE1 TRP A 109 -13.221 3.963 -1.994 1.00 8.60 N ATOM 1096 CE2 TRP A 109 -13.006 4.225 -0.669 1.00 8.17 C ATOM 1097 CE3 TRP A 109 -14.311 4.607 1.321 1.00 8.46 C ATOM 1098 CZ2 TRP A 109 -11.810 4.381 0.033 1.00 8.93 C ATOM 1099 CZ3 TRP A 109 -13.129 4.743 2.015 1.00 9.76 C ATOM 1100 CH2 TRP A 109 -11.894 4.634 1.374 1.00 9.81 C ATOM 1101 HE1 TRP A 109 -12.481 3.831 -2.712 1.00 0.00 H ATOM 1102 H TRP A 109 -16.435 1.956 1.254 1.00 0.00 H ATOM 1103 N ILE A 110 -17.495 1.655 -2.453 1.00 6.77 N ATOM 1104 CA ILE A 110 -17.221 0.530 -3.339 1.00 7.38 C ATOM 1105 C ILE A 110 -16.359 0.998 -4.505 1.00 8.18 C ATOM 1106 O ILE A 110 -16.595 2.072 -5.068 1.00 10.35 O ATOM 1107 CB ILE A 110 -18.524 -0.118 -3.847 1.00 8.87 C ATOM 1108 CG1 ILE A 110 -19.182 -0.877 -2.701 1.00 10.31 C ATOM 1109 CG2 ILE A 110 -18.250 -1.088 -5.021 1.00 10.68 C ATOM 1110 CD1 ILE A 110 -20.578 -1.359 -2.996 1.00 11.85 C ATOM 1111 H ILE A 110 -18.033 2.466 -2.820 1.00 0.00 H ATOM 1112 N GLU A 111 -15.372 0.175 -4.877 1.00 8.59 N ATOM 1113 CA GLU A 111 -14.600 0.337 -6.108 1.00 10.28 C ATOM 1114 C GLU A 111 -14.623 -1.012 -6.813 1.00 9.60 C ATOM 1115 O GLU A 111 -13.981 -1.962 -6.359 1.00 9.93 O ATOM 1116 CB GLU A 111 -13.151 0.749 -5.814 1.00 11.24 C ATOM 1117 CG GLU A 111 -13.002 2.040 -5.012 1.00 12.80 C ATOM 1118 CD GLU A 111 -11.568 2.510 -4.861 1.00 13.57 C ATOM 1119 OE1 GLU A 111 -10.671 1.986 -5.558 1.00 15.79 O ATOM 1120 OE2 GLU A 111 -11.339 3.422 -4.039 1.00 15.09 O ATOM 1121 H GLU A 111 -15.141 -0.626 -4.255 1.00 0.00 H ATOM 1122 N GLY A 112 -15.353 -1.115 -7.913 1.00 11.98 N ATOM 1123 CA GLY A 112 -15.400 -2.388 -8.612 1.00 12.07 C ATOM 1124 C GLY A 112 -15.945 -3.488 -7.723 1.00 11.07 C ATOM 1125 O GLY A 112 -17.051 -3.379 -7.184 1.00 10.99 O ATOM 1126 H GLY A 112 -15.885 -0.296 -8.271 1.00 0.00 H ATOM 1127 N ASP A 113 -15.167 -4.564 -7.560 1.00 10.10 N ATOM 1128 CA ASP A 113 -15.533 -5.685 -6.701 1.00 9.53 C ATOM 1129 C ASP A 113 -15.010 -5.538 -5.278 1.00 7.92 C ATOM 1130 O ASP A 113 -14.972 -6.529 -4.541 1.00 8.41 O ATOM 1131 CB ASP A 113 -15.085 -7.027 -7.311 1.00 10.75 C ATOM 1132 CG ASP A 113 -13.562 -7.208 -7.357 1.00 10.08 C ATOM 1133 OD1 ASP A 113 -12.800 -6.317 -6.947 1.00 11.58 O ATOM 1134 OD2 ASP A 113 -13.117 -8.274 -7.839 1.00 12.80 O ATOM 1135 H ASP A 113 -14.261 -4.603 -8.068 1.00 0.00 H ATOM 1136 N GLU A 114 -14.628 -4.330 -4.876 1.00 7.11 N ATOM 1137 CA GLU A 114 -14.014 -4.080 -3.580 1.00 6.62 C ATOM 1138 C GLU A 114 -14.893 -3.193 -2.713 1.00 6.36 C ATOM 1139 O GLU A 114 -15.371 -2.144 -3.156 1.00 7.08 O ATOM 1140 CB GLU A 114 -12.666 -3.385 -3.752 1.00 7.81 C ATOM 1141 CG GLU A 114 -11.660 -4.249 -4.463 1.00 9.50 C ATOM 1142 CD GLU A 114 -10.412 -3.511 -4.887 1.00 11.72 C ATOM 1143 OE1 GLU A 114 -10.329 -2.284 -4.689 1.00 12.92 O ATOM 1144 OE2 GLU A 114 -9.505 -4.171 -5.435 1.00 13.60 O ATOM 1145 H GLU A 114 -14.775 -3.525 -5.518 1.00 0.00 H ATOM 1146 N LEU A 115 -15.050 -3.594 -1.458 1.00 5.30 N ATOM 1147 CA LEU A 115 -15.629 -2.763 -0.418 1.00 5.42 C ATOM 1148 C LEU A 115 -14.469 -2.154 0.359 1.00 5.54 C ATOM 1149 O LEU A 115 -13.642 -2.877 0.923 1.00 5.75 O ATOM 1150 CB LEU A 115 -16.499 -3.616 0.499 1.00 5.61 C ATOM 1151 CG LEU A 115 -17.192 -2.887 1.645 1.00 6.46 C ATOM 1152 CD1 LEU A 115 -18.310 -2.062 1.127 1.00 9.72 C ATOM 1153 CD2 LEU A 115 -17.648 -3.898 2.715 1.00 8.78 C ATOM 1154 H LEU A 115 -14.742 -4.555 -1.206 1.00 0.00 H ATOM 1155 N HIS A 116 -14.411 -0.829 0.375 1.00 5.15 N ATOM 1156 CA HIS A 116 -13.378 -0.061 1.055 1.00 5.64 C ATOM 1157 C HIS A 116 -13.936 0.503 2.345 1.00 4.44 C ATOM 1158 O HIS A 116 -15.034 1.065 2.357 1.00 5.46 O ATOM 1159 CB HIS A 116 -12.919 1.065 0.134 1.00 6.52 C ATOM 1160 CG HIS A 116 -12.074 0.575 -0.992 1.00 7.31 C ATOM 1161 ND1 HIS A 116 -10.725 0.826 -1.071 1.00 9.30 N ATOM 1162 CD2 HIS A 116 -12.379 -0.223 -2.040 1.00 8.07 C ATOM 1163 CE1 HIS A 116 -10.237 0.221 -2.137 1.00 9.59 C ATOM 1164 NE2 HIS A 116 -11.219 -0.425 -2.743 1.00 9.35 N ATOM 1165 H HIS A 116 -15.152 -0.304 -0.132 1.00 0.00 H ATOM 1166 N LEU A 117 -13.173 0.375 3.423 1.00 4.72 N ATOM 1167 CA LEU A 117 -13.605 0.831 4.735 1.00 4.76 C ATOM 1168 C LEU A 117 -12.416 1.488 5.416 1.00 5.24 C ATOM 1169 O LEU A 117 -11.416 0.826 5.701 1.00 5.91 O ATOM 1170 CB LEU A 117 -14.126 -0.344 5.563 1.00 5.45 C ATOM 1171 CG LEU A 117 -14.573 -0.020 6.986 1.00 6.54 C ATOM 1172 CD1 LEU A 117 -15.743 0.948 7.018 1.00 7.80 C ATOM 1173 CD2 LEU A 117 -14.905 -1.315 7.716 1.00 8.27 C ATOM 1174 H LEU A 117 -12.236 -0.066 3.327 1.00 0.00 H ATOM 1175 N GLU A 118 -12.521 2.782 5.672 1.00 5.32 N ATOM 1176 CA GLU A 118 -11.509 3.524 6.408 1.00 5.44 C ATOM 1177 C GLU A 118 -12.086 3.878 7.767 1.00 5.85 C ATOM 1178 O GLU A 118 -13.139 4.518 7.847 1.00 7.94 O ATOM 1179 CB GLU A 118 -11.131 4.799 5.665 1.00 7.60 C ATOM 1180 CG GLU A 118 -10.046 5.562 6.371 1.00 10.46 C ATOM 1181 CD GLU A 118 -9.723 6.878 5.691 1.00 16.29 C ATOM 1182 OE1 GLU A 118 -8.924 6.868 4.734 1.00 19.36 O ATOM 1183 OE2 GLU A 118 -10.272 7.923 6.105 1.00 19.12 O ATOM 1184 H GLU A 118 -13.363 3.290 5.333 1.00 0.00 H ATOM 1185 N MET A 119 -11.412 3.466 8.831 1.00 5.52 N ATOM 1186 CA MET A 119 -11.819 3.749 10.203 1.00 6.01 C ATOM 1187 C MET A 119 -10.811 4.703 10.826 1.00 5.88 C ATOM 1188 O MET A 119 -9.611 4.571 10.587 1.00 7.64 O ATOM 1189 CB MET A 119 -11.842 2.460 11.030 1.00 6.73 C ATOM 1190 CG MET A 119 -12.824 1.411 10.527 1.00 9.40 C ATOM 1191 SD MET A 119 -12.893 -0.088 11.542 1.00 13.43 S ATOM 1192 CE MET A 119 -11.338 -0.865 11.118 1.00 13.65 C ATOM 1193 H MET A 119 -10.546 2.911 8.680 1.00 0.00 H ATOM 1194 N ARG A 120 -11.295 5.635 11.645 1.00 5.64 N ATOM 1195 CA ARG A 120 -10.457 6.673 12.220 1.00 7.29 C ATOM 1196 C ARG A 120 -10.837 6.905 13.672 1.00 6.20 C ATOM 1197 O ARG A 120 -12.007 6.814 14.050 1.00 6.47 O ATOM 1198 CB ARG A 120 -10.669 8.022 11.478 1.00 12.88 C ATOM 1199 CG ARG A 120 -10.402 8.019 9.980 1.00 15.08 C ATOM 1200 CD ARG A 120 -10.931 9.299 9.320 1.00 15.83 C ATOM 1201 NE ARG A 120 -12.389 9.364 9.347 1.00 19.19 N ATOM 1202 CZ ARG A 120 -13.189 8.881 8.400 1.00 17.31 C ATOM 1203 NH1 ARG A 120 -12.690 8.304 7.315 1.00 16.91 N ATOM 1204 NH2 ARG A 120 -14.503 8.980 8.536 1.00 20.19 N ATOM 1205 HE ARG A 120 -12.835 9.822 10.167 1.00 0.00 H ATOM 1206 HH12 ARG A 120 -13.329 7.931 6.584 1.00 0.00 H ATOM 1207 HH11 ARG A 120 -11.660 8.224 7.195 1.00 0.00 H ATOM 1208 HH22 ARG A 120 -15.132 8.604 7.798 1.00 0.00 H ATOM 1209 HH21 ARG A 120 -14.906 9.434 9.381 1.00 0.00 H ATOM 1210 H ARG A 120 -12.308 5.619 11.881 1.00 0.00 H ATOM 1211 N VAL A 121 -9.832 7.262 14.464 1.00 6.66 N ATOM 1212 CA VAL A 121 -10.045 7.808 15.804 1.00 6.84 C ATOM 1213 C VAL A 121 -8.785 8.559 16.201 1.00 7.14 C ATOM 1214 O VAL A 121 -7.676 8.080 15.977 1.00 8.19 O ATOM 1215 CB VAL A 121 -10.422 6.717 16.839 1.00 7.24 C ATOM 1216 CG1 VAL A 121 -9.262 5.742 17.085 1.00 8.66 C ATOM 1217 CG2 VAL A 121 -10.909 7.365 18.146 1.00 8.65 C ATOM 1218 H VAL A 121 -8.858 7.149 14.118 1.00 0.00 H ATOM 1219 N GLU A 122 -8.959 9.748 16.778 1.00 8.57 N ATOM 1220 CA GLU A 122 -7.830 10.530 17.286 1.00 11.60 C ATOM 1221 C GLU A 122 -6.734 10.691 16.233 1.00 11.27 C ATOM 1222 O GLU A 122 -5.541 10.706 16.542 1.00 13.77 O ATOM 1223 CB GLU A 122 -7.268 9.921 18.571 1.00 13.85 C ATOM 1224 CG GLU A 122 -8.172 10.067 19.769 1.00 16.73 C ATOM 1225 CD GLU A 122 -7.513 9.587 21.043 1.00 22.14 C ATOM 1226 OE1 GLU A 122 -6.586 8.750 20.956 1.00 26.75 O ATOM 1227 OE2 GLU A 122 -7.916 10.047 22.130 1.00 23.90 O ATOM 1228 H GLU A 122 -9.922 10.130 16.870 1.00 0.00 H ATOM 1229 N GLY A 123 -7.141 10.824 14.975 1.00 10.56 N ATOM 1230 CA GLY A 123 -6.203 11.024 13.883 1.00 11.67 C ATOM 1231 C GLY A 123 -5.499 9.777 13.385 1.00 11.10 C ATOM 1232 O GLY A 123 -4.698 9.877 12.444 1.00 13.77 O ATOM 1233 H GLY A 123 -8.159 10.784 14.766 1.00 0.00 H ATOM 1234 N VAL A 124 -5.758 8.621 13.987 1.00 8.88 N ATOM 1235 CA VAL A 124 -5.187 7.341 13.577 1.00 8.73 C ATOM 1236 C VAL A 124 -6.140 6.689 12.586 1.00 10.01 C ATOM 1237 O VAL A 124 -7.348 6.647 12.828 1.00 13.90 O ATOM 1238 CB VAL A 124 -4.975 6.441 14.808 1.00 9.75 C ATOM 1239 CG1 VAL A 124 -4.462 5.074 14.414 1.00 10.71 C ATOM 1240 CG2 VAL A 124 -4.016 7.111 15.780 1.00 12.18 C ATOM 1241 H VAL A 124 -6.407 8.628 14.800 1.00 0.00 H ATOM 1242 N VAL A 125 -5.603 6.163 11.485 1.00 9.28 N ATOM 1243 CA VAL A 125 -6.398 5.656 10.370 1.00 9.84 C ATOM 1244 C VAL A 125 -6.069 4.190 10.131 1.00 8.73 C ATOM 1245 O VAL A 125 -4.898 3.825 9.993 1.00 10.42 O ATOM 1246 CB VAL A 125 -6.103 6.462 9.092 1.00 12.23 C ATOM 1247 CG1 VAL A 125 -6.936 5.950 7.920 1.00 13.42 C ATOM 1248 CG2 VAL A 125 -6.348 7.947 9.331 1.00 15.19 C ATOM 1249 H VAL A 125 -4.567 6.111 11.417 1.00 0.00 H ATOM 1250 N CYS A 126 -7.106 3.372 10.015 1.00 7.15 N ATOM 1251 CA CYS A 126 -7.004 1.980 9.595 1.00 6.44 C ATOM 1252 C CYS A 126 -7.802 1.822 8.311 1.00 5.80 C ATOM 1253 O CYS A 126 -8.907 2.352 8.190 1.00 7.37 O ATOM 1254 CB CYS A 126 -7.553 1.054 10.690 1.00 8.06 C ATOM 1255 SG CYS A 126 -8.012 -0.602 10.168 1.00 7.24 S ATOM 1256 H CYS A 126 -8.050 3.747 10.237 1.00 0.00 H ATOM 1257 N LYS A 127 -7.237 1.114 7.342 1.00 5.67 N ATOM 1258 CA LYS A 127 -7.886 0.907 6.054 1.00 6.19 C ATOM 1259 C LYS A 127 -8.058 -0.579 5.792 1.00 5.80 C ATOM 1260 O LYS A 127 -7.091 -1.347 5.846 1.00 6.50 O ATOM 1261 CB LYS A 127 -7.088 1.553 4.923 1.00 7.25 C ATOM 1262 CG LYS A 127 -7.695 1.367 3.528 1.00 7.66 C ATOM 1263 CD LYS A 127 -9.031 2.082 3.381 1.00 7.99 C ATOM 1264 CE LYS A 127 -9.775 1.658 2.126 1.00 9.59 C ATOM 1265 NZ LYS A 127 -9.044 2.057 0.904 1.00 11.36 N ATOM 1266 HZ1 LYS A 127 -8.934 3.091 0.889 1.00 0.00 H ATOM 1267 HZ2 LYS A 127 -8.106 1.607 0.900 1.00 0.00 H ATOM 1268 HZ3 LYS A 127 -9.579 1.752 0.066 1.00 0.00 H ATOM 1269 H LYS A 127 -6.300 0.693 7.507 1.00 0.00 H ATOM 1270 N GLN A 128 -9.282 -0.973 5.475 1.00 5.26 N ATOM 1271 CA GLN A 128 -9.612 -2.344 5.124 1.00 5.74 C ATOM 1272 C GLN A 128 -10.201 -2.378 3.727 1.00 5.25 C ATOM 1273 O GLN A 128 -10.887 -1.446 3.291 1.00 6.50 O ATOM 1274 CB GLN A 128 -10.615 -2.940 6.103 1.00 5.98 C ATOM 1275 CG GLN A 128 -10.127 -2.848 7.531 1.00 7.65 C ATOM 1276 CD GLN A 128 -11.048 -3.476 8.532 1.00 7.84 C ATOM 1277 OE1 GLN A 128 -12.230 -3.648 8.274 1.00 8.79 O ATOM 1278 NE2 GLN A 128 -10.515 -3.799 9.695 1.00 8.16 N ATOM 1279 HE22 GLN A 128 -9.503 -3.633 9.867 1.00 0.00 H ATOM 1280 HE21 GLN A 128 -11.107 -4.220 10.439 1.00 0.00 H ATOM 1281 H GLN A 128 -10.045 -0.266 5.477 1.00 0.00 H ATOM 1282 N VAL A 129 -9.934 -3.469 3.022 1.00 5.00 N ATOM 1283 CA VAL A 129 -10.557 -3.730 1.729 1.00 5.45 C ATOM 1284 C VAL A 129 -11.064 -5.160 1.744 1.00 4.93 C ATOM 1285 O VAL A 129 -10.340 -6.076 2.155 1.00 5.50 O ATOM 1286 CB VAL A 129 -9.603 -3.503 0.539 1.00 6.81 C ATOM 1287 CG1 VAL A 129 -10.363 -3.683 -0.775 1.00 8.69 C ATOM 1288 CG2 VAL A 129 -8.976 -2.140 0.601 1.00 7.95 C ATOM 1289 H VAL A 129 -9.258 -4.161 3.403 1.00 0.00 H ATOM 1290 N PHE A 130 -12.289 -5.342 1.268 1.00 4.70 N ATOM 1291 CA PHE A 130 -12.925 -6.640 1.160 1.00 4.49 C ATOM 1292 C PHE A 130 -13.231 -6.886 -0.310 1.00 5.28 C ATOM 1293 O PHE A 130 -13.462 -5.939 -1.068 1.00 6.68 O ATOM 1294 CB PHE A 130 -14.256 -6.692 1.944 1.00 5.34 C ATOM 1295 CG PHE A 130 -14.121 -6.396 3.412 1.00 4.93 C ATOM 1296 CD1 PHE A 130 -13.913 -5.094 3.868 1.00 5.68 C ATOM 1297 CD2 PHE A 130 -14.218 -7.408 4.342 1.00 6.02 C ATOM 1298 CE1 PHE A 130 -13.758 -4.827 5.203 1.00 6.83 C ATOM 1299 CE2 PHE A 130 -14.068 -7.136 5.683 1.00 7.74 C ATOM 1300 CZ PHE A 130 -13.837 -5.842 6.110 1.00 7.91 C ATOM 1301 H PHE A 130 -12.823 -4.506 0.955 1.00 0.00 H ATOM 1302 N LYS A 131 -13.279 -8.156 -0.701 1.00 4.99 N ATOM 1303 CA LYS A 131 -13.671 -8.544 -2.049 1.00 5.30 C ATOM 1304 C LYS A 131 -15.049 -9.183 -2.030 1.00 5.14 C ATOM 1305 O LYS A 131 -15.365 -9.980 -1.147 1.00 5.73 O ATOM 1306 CB LYS A 131 -12.661 -9.531 -2.628 1.00 5.97 C ATOM 1307 CG LYS A 131 -11.347 -8.875 -2.992 1.00 7.12 C ATOM 1308 CD LYS A 131 -11.409 -8.128 -4.312 1.00 8.78 C ATOM 1309 CE LYS A 131 -10.062 -7.566 -4.707 1.00 10.94 C ATOM 1310 NZ LYS A 131 -10.137 -6.874 -6.022 1.00 12.23 N ATOM 1311 HZ1 LYS A 131 -10.444 -7.550 -6.751 1.00 0.00 H ATOM 1312 HZ2 LYS A 131 -10.820 -6.092 -5.963 1.00 0.00 H ATOM 1313 HZ3 LYS A 131 -9.199 -6.498 -6.269 1.00 0.00 H ATOM 1314 H LYS A 131 -13.027 -8.900 -0.019 1.00 0.00 H ATOM 1315 N LYS A 132 -15.860 -8.831 -3.012 1.00 5.28 N ATOM 1316 CA LYS A 132 -17.197 -9.395 -3.116 1.00 6.58 C ATOM 1317 C LYS A 132 -17.094 -10.873 -3.466 1.00 5.78 C ATOM 1318 O LYS A 132 -16.366 -11.254 -4.393 1.00 6.73 O ATOM 1319 CB LYS A 132 -17.992 -8.674 -4.196 1.00 10.01 C ATOM 1320 CG LYS A 132 -19.520 -8.825 -3.999 1.00 15.18 C ATOM 1321 CD LYS A 132 -20.331 -7.807 -4.751 1.00 15.43 C ATOM 1322 CE LYS A 132 -21.681 -7.711 -4.141 1.00 13.37 C ATOM 1323 NZ LYS A 132 -22.416 -8.918 -4.486 1.00 13.37 N ATOM 1324 HZ1 LYS A 132 -22.493 -8.992 -5.521 1.00 0.00 H ATOM 1325 HZ2 LYS A 132 -21.911 -9.748 -4.114 1.00 0.00 H ATOM 1326 HZ3 LYS A 132 -23.368 -8.874 -4.069 1.00 0.00 H ATOM 1327 H LYS A 132 -15.538 -8.141 -3.720 1.00 0.00 H ATOM 1328 N VAL A 133 -17.826 -11.706 -2.728 1.00 5.52 N ATOM 1329 CA VAL A 133 -17.773 -13.147 -2.897 1.00 5.70 C ATOM 1330 C VAL A 133 -19.184 -13.703 -3.008 1.00 5.80 C ATOM 1331 O VAL A 133 -20.168 -13.033 -2.694 1.00 6.45 O ATOM 1332 CB VAL A 133 -16.985 -13.850 -1.771 1.00 6.47 C ATOM 1333 CG1 VAL A 133 -15.502 -13.535 -1.891 1.00 6.48 C ATOM 1334 CG2 VAL A 133 -17.518 -13.458 -0.400 1.00 8.08 C ATOM 1335 H VAL A 133 -18.459 -11.310 -2.004 1.00 0.00 H ATOM 1336 N GLN A 134 -19.265 -14.953 -3.463 1.00 5.35 N ATOM 1337 CA GLN A 134 -20.536 -15.562 -3.801 1.00 5.82 C ATOM 1338 C GLN A 134 -20.808 -16.874 -3.088 1.00 6.40 C ATOM 1339 O GLN A 134 -21.940 -17.351 -3.143 1.00 7.33 O ATOM 1340 CB GLN A 134 -20.662 -15.792 -5.313 1.00 6.16 C ATOM 1341 CG GLN A 134 -20.335 -14.592 -6.179 1.00 6.30 C ATOM 1342 CD GLN A 134 -21.175 -13.357 -5.911 1.00 6.34 C ATOM 1343 OE1 GLN A 134 -22.349 -13.437 -5.521 1.00 6.41 O ATOM 1344 NE2 GLN A 134 -20.584 -12.193 -6.152 1.00 8.04 N ATOM 1345 HE22 GLN A 134 -19.597 -12.169 -6.478 1.00 0.00 H ATOM 1346 HE21 GLN A 134 -21.108 -11.305 -6.015 1.00 0.00 H ATOM 1347 H GLN A 134 -18.392 -15.507 -3.579 1.00 0.00 H ATOM 1348 N HIS A 135 -19.820 -17.482 -2.441 1.00 6.54 N ATOM 1349 CA HIS A 135 -20.041 -18.705 -1.689 1.00 7.58 C ATOM 1350 C HIS A 135 -20.501 -18.324 -0.291 1.00 11.58 C ATOM 1351 O HIS A 135 -19.755 -17.698 0.469 1.00 15.51 O ATOM 1352 CB HIS A 135 -18.771 -19.539 -1.599 1.00 7.98 C ATOM 1353 CG HIS A 135 -19.006 -20.900 -1.037 1.00 9.84 C ATOM 1354 ND1 HIS A 135 -19.605 -21.901 -1.769 1.00 12.58 N ATOM 1355 CD2 HIS A 135 -18.727 -21.430 0.176 1.00 13.29 C ATOM 1356 CE1 HIS A 135 -19.686 -22.991 -1.028 1.00 15.59 C ATOM 1357 NE2 HIS A 135 -19.161 -22.732 0.155 1.00 15.45 N ATOM 1358 H HIS A 135 -18.865 -17.072 -2.474 1.00 0.00 H ATOM 1359 N HIS A 136 -21.697 -18.728 0.069 1.00 13.13 N ATOM 1360 CA HIS A 136 -22.233 -18.240 1.327 1.00 14.25 C ATOM 1361 C HIS A 136 -22.177 -19.327 2.378 1.00 17.87 C ATOM 1362 O HIS A 136 -22.151 -20.516 2.071 1.00 21.62 O ATOM 1363 CB HIS A 136 -23.646 -17.693 1.162 1.00 13.23 C ATOM 1364 CG HIS A 136 -24.150 -16.936 2.351 1.00 14.45 C ATOM 1365 ND1 HIS A 136 -25.183 -17.397 3.131 1.00 16.97 N ATOM 1366 CD2 HIS A 136 -23.788 -15.739 2.874 1.00 15.86 C ATOM 1367 CE1 HIS A 136 -25.442 -16.519 4.085 1.00 15.07 C ATOM 1368 NE2 HIS A 136 -24.601 -15.509 3.960 1.00 13.88 N ATOM 1369 H HIS A 136 -22.245 -19.379 -0.530 1.00 0.00 H ATOM 1370 N HIS A 137 -22.096 -18.896 3.628 1.00 18.27 N ATOM 1371 CA HIS A 137 -22.072 -19.801 4.764 1.00 33.70 C ATOM 1372 C HIS A 137 -23.056 -19.304 5.809 1.00 16.72 C ATOM 1373 O HIS A 137 -23.297 -18.100 5.936 1.00 18.63 O ATOM 1374 CB HIS A 137 -20.668 -19.892 5.379 1.00 52.11 C ATOM 1375 H HIS A 137 -22.048 -17.872 3.802 1.00 0.00 H ATOM 1376 N HIS A 138 -23.637 -20.244 6.544 1.00 21.76 N ATOM 1377 CA HIS A 138 -24.600 -19.888 7.573 1.00 24.42 C ATOM 1378 C HIS A 138 -23.890 -19.242 8.753 1.00 21.86 C ATOM 1379 O HIS A 138 -22.788 -19.645 9.136 1.00 22.76 O ATOM 1380 CB HIS A 138 -25.352 -21.126 8.061 1.00 28.28 C ATOM 1381 CG HIS A 138 -26.339 -20.835 9.149 1.00 29.86 C ATOM 1382 ND1 HIS A 138 -26.171 -21.268 10.448 1.00 31.82 N ATOM 1383 CD2 HIS A 138 -27.499 -20.136 9.135 1.00 29.20 C ATOM 1384 CE1 HIS A 138 -27.188 -20.855 11.183 1.00 31.87 C ATOM 1385 NE2 HIS A 138 -28.007 -20.164 10.411 1.00 31.33 N ATOM 1386 H HIS A 138 -23.401 -21.244 6.382 1.00 0.00 H ATOM 1387 N HIS A 139 -24.527 -18.222 9.318 1.00 22.01 N ATOM 1388 CA HIS A 139 -24.067 -17.582 10.538 1.00 24.91 C ATOM 1389 C HIS A 139 -25.260 -17.425 11.468 1.00 28.80 C ATOM 1390 O HIS A 139 -26.413 -17.429 11.031 1.00 29.51 O ATOM 1391 CB HIS A 139 -23.435 -16.212 10.260 1.00 25.14 C ATOM 1392 CG HIS A 139 -24.400 -15.195 9.735 1.00 25.52 C ATOM 1393 ND1 HIS A 139 -25.235 -14.468 10.556 1.00 27.77 N ATOM 1394 CD2 HIS A 139 -24.657 -14.780 8.472 1.00 26.78 C ATOM 1395 CE1 HIS A 139 -25.966 -13.649 9.822 1.00 29.17 C ATOM 1396 NE2 HIS A 139 -25.637 -13.819 8.554 1.00 27.43 N ATOM 1397 H HIS A 139 -25.394 -17.866 8.867 1.00 0.00 H ATOM 1398 N HIS A 140 -24.974 -17.295 12.760 1.00 28.87 N ATOM 1399 CA HIS A 140 -26.033 -17.128 13.747 1.00 48.43 C ATOM 1400 C HIS A 140 -26.301 -15.648 13.998 1.00 62.95 C ATOM 1401 O HIS A 140 -25.970 -14.796 13.172 1.00 57.99 O ATOM 1402 CB HIS A 140 -25.687 -17.853 15.053 1.00 51.92 C ATOM 1403 CG HIS A 140 -24.631 -17.176 15.874 1.00 57.24 C ATOM 1404 ND1 HIS A 140 -24.817 -15.944 16.463 1.00 63.15 N ATOM 1405 CD2 HIS A 140 -23.385 -17.574 16.224 1.00 65.01 C ATOM 1406 CE1 HIS A 140 -23.727 -15.606 17.128 1.00 14.54 C ATOM 1407 NE2 HIS A 140 -22.842 -16.578 16.999 1.00 57.16 N ATOM 1408 OXT HIS A 140 -26.860 -15.271 15.028 1.00 82.81 O ATOM 1409 H HIS A 140 -23.982 -17.313 13.070 1.00 0.00 H TER 1410 HIS A 140 HETATM 1411 O HOH 1 -30.421 4.118 24.662 1.00 36.25 O HETATM 1412 O HOH 2 -6.761 -15.770 5.940 1.00 34.16 O HETATM 1413 O HOH 3 -6.048 7.659 23.086 1.00 39.62 O HETATM 1414 O HOH 4 -7.269 5.205 3.987 1.00 31.05 O HETATM 1415 O HOH 5 -3.596 3.185 3.102 1.00 33.07 O HETATM 1416 O HOH 6 -12.757 15.476 14.564 1.00 44.33 O HETATM 1417 O HOH 7 -30.044 4.674 1.995 1.00 28.73 O HETATM 1418 O HOH 8 -24.110 -2.427 26.990 1.00 47.04 O HETATM 1419 O HOH 9 -33.352 8.739 7.991 1.00 39.76 O HETATM 1420 O HOH 10 -9.883 11.621 22.094 1.00 23.94 O HETATM 1421 O HOH 11 -16.336 13.528 1.347 1.00 49.41 O HETATM 1422 O HOH 12 -15.823 -3.197 10.944 1.00 25.69 O HETATM 1423 O HOH 13 0.744 -0.084 5.266 1.00 13.85 O HETATM 1424 O HOH 14 -25.961 -12.274 12.685 1.00 37.07 O HETATM 1425 O HOH 15 -16.774 9.934 9.268 1.00 30.98 O HETATM 1426 O HOH 16 -4.065 3.612 26.480 1.00 32.04 O HETATM 1427 O HOH 17 -14.033 -4.821 9.735 1.00 22.13 O HETATM 1428 O HOH 18 -26.246 -3.618 23.698 1.00 34.09 O HETATM 1429 O HOH 19 -33.602 -4.931 11.767 1.00 28.23 O HETATM 1430 O HOH 20 -12.976 -12.475 5.533 1.00 9.23 O HETATM 1431 O HOH 21 -21.831 15.413 0.350 1.00 43.48 O HETATM 1432 O HOH 22 -10.731 7.415 27.499 1.00 25.99 O HETATM 1433 O HOH 23 -4.063 8.397 20.253 1.00 25.15 O HETATM 1434 O HOH 24 -30.250 10.953 19.268 1.00 16.20 O HETATM 1435 O HOH 25 -14.383 3.991 13.929 1.00 9.86 O HETATM 1436 O HOH 26 -27.319 12.689 8.923 1.00 29.94 O HETATM 1437 O HOH 27 -25.409 10.774 -2.046 1.00 29.45 O HETATM 1438 O HOH 28 -29.034 13.204 10.939 1.00 37.72 O HETATM 1439 O HOH 29 0.214 -1.344 17.754 1.00 30.86 O HETATM 1440 O HOH 30 -22.832 -4.381 -3.375 1.00 13.23 O HETATM 1441 O HOH 31 -9.409 -0.260 -6.249 1.00 27.55 O HETATM 1442 O HOH 32 -30.159 -6.855 13.670 1.00 25.63 O HETATM 1443 O HOH 33 -29.651 -1.633 -5.942 1.00 30.28 O HETATM 1444 O HOH 34 -6.905 -8.656 10.540 1.00 13.75 O HETATM 1445 O HOH 35 -10.885 -1.875 26.585 1.00 34.36 O HETATM 1446 O HOH 36 -24.028 11.033 15.990 1.00 11.79 O HETATM 1447 O HOH 37 -10.785 0.933 25.921 1.00 19.08 O HETATM 1448 O HOH 38 -34.183 1.091 10.464 1.00 15.13 O HETATM 1449 O HOH 39 -11.664 7.464 -2.319 1.00 36.89 O HETATM 1450 O HOH 40 -2.324 9.049 11.490 1.00 33.98 O HETATM 1451 O HOH 41 -18.382 -18.825 16.934 1.00 22.00 O HETATM 1452 O HOH 42 -4.605 -14.449 11.019 1.00 43.58 O HETATM 1453 O HOH 43 -6.087 7.277 26.042 1.00 31.07 O HETATM 1454 O HOH 44 -5.983 -16.348 9.083 1.00 38.67 O HETATM 1455 O HOH 45 -5.126 11.332 10.192 1.00 33.83 O HETATM 1456 O HOH 46 -24.763 -7.083 -4.700 1.00 21.80 O HETATM 1457 O HOH 47 -6.139 -1.006 28.017 1.00 33.60 O HETATM 1458 O HOH 48 -26.573 12.854 3.669 1.00 35.37 O HETATM 1459 O HOH 49 -18.526 -15.077 19.712 1.00 21.08 O HETATM 1460 O HOH 50 -6.819 8.587 4.547 1.00 33.43 O HETATM 1461 O HOH 51 -17.306 -15.439 8.709 1.00 38.09 O HETATM 1462 O HOH 52 -20.669 -4.536 11.654 1.00 8.75 O HETATM 1463 O HOH 53 -31.031 1.800 -0.566 1.00 20.15 O HETATM 1464 O HOH 54 -18.586 -1.999 7.640 1.00 14.30 O HETATM 1465 O HOH 55 -15.724 14.110 22.682 1.00 25.21 O HETATM 1466 O HOH 56 -27.460 6.475 11.299 1.00 8.85 O HETATM 1467 O HOH 57 -12.366 -16.053 14.127 1.00 18.80 O HETATM 1468 O HOH 58 -29.321 1.498 19.240 1.00 41.09 O HETATM 1469 O HOH 59 -0.574 -3.443 19.275 1.00 21.50 O HETATM 1470 O HOH 60 -19.308 0.805 13.631 1.00 11.43 O HETATM 1471 O HOH 61 -35.407 -3.438 -0.438 1.00 17.58 O HETATM 1472 O HOH 62 -10.554 -13.245 4.306 1.00 11.03 O HETATM 1473 O HOH 63 -21.731 -16.208 7.161 1.00 33.34 O HETATM 1474 O HOH 64 -0.562 -6.691 20.785 1.00 42.42 O HETATM 1475 O HOH 65 -20.000 -15.872 12.369 1.00 18.06 O HETATM 1476 O HOH 66 -13.806 -8.026 24.349 1.00 12.96 O HETATM 1477 O HOH 67 -3.488 -9.461 2.615 1.00 6.26 O HETATM 1478 O HOH 68 -26.875 13.138 13.879 1.00 25.37 O HETATM 1479 O HOH 69 -24.837 13.426 19.736 1.00 21.86 O HETATM 1480 O HOH 70 -18.783 16.126 1.885 1.00 31.95 O HETATM 1481 O HOH 71 -17.711 -11.948 -6.701 1.00 7.82 O HETATM 1482 O HOH 72 -8.197 -15.621 11.998 1.00 32.77 O HETATM 1483 O HOH 73 -13.791 -15.912 5.652 1.00 23.09 O HETATM 1484 O HOH 74 1.475 2.711 12.003 1.00 16.66 O HETATM 1485 O HOH 75 -24.071 -19.107 -3.020 1.00 28.37 O HETATM 1486 O HOH 76 -19.163 -1.996 -8.312 1.00 22.69 O HETATM 1487 O HOH 77 -21.902 7.659 24.432 1.00 10.53 O HETATM 1488 O HOH 78 -35.926 2.677 4.452 1.00 22.87 O HETATM 1489 O HOH 79 -20.242 -7.943 19.224 1.00 11.99 O HETATM 1490 O HOH 80 -3.002 -12.217 22.743 1.00 26.42 O HETATM 1491 O HOH 81 -32.526 -0.178 12.244 1.00 17.42 O HETATM 1492 O HOH 82 -5.425 -9.274 5.799 1.00 20.21 O HETATM 1493 O HOH 83 -14.936 -9.691 -9.383 1.00 17.57 O HETATM 1494 O HOH 84 -3.537 -4.276 10.659 1.00 10.24 O HETATM 1495 O HOH 85 -36.309 -2.556 6.342 1.00 9.10 O HETATM 1496 O HOH 86 -19.095 3.861 -3.494 1.00 13.37 O HETATM 1497 O HOH 87 -14.077 -12.365 -5.510 1.00 11.12 O HETATM 1498 O HOH 88 -9.715 11.050 13.749 1.00 13.56 O HETATM 1499 O HOH 89 -16.226 8.906 20.209 1.00 9.38 O HETATM 1500 O HOH 90 -3.004 11.155 15.495 1.00 35.74 O HETATM 1501 O HOH 91 -23.260 14.267 3.655 1.00 43.82 O HETATM 1502 O HOH 92 -11.848 -4.237 25.445 1.00 22.31 O HETATM 1503 O HOH 93 -25.548 3.008 28.891 1.00 27.18 O HETATM 1504 O HOH 94 -2.266 4.550 18.234 1.00 12.69 O HETATM 1505 O HOH 95 -11.963 -15.367 7.304 1.00 34.89 O HETATM 1506 O HOH 96 -35.388 7.054 6.366 1.00 35.74 O HETATM 1507 O HOH 97 -17.646 6.969 24.180 1.00 13.04 O HETATM 1508 O HOH 98 -15.022 2.018 16.769 1.00 10.99 O HETATM 1509 O HOH 99 -24.874 7.242 -6.760 1.00 43.86 O HETATM 1510 O HOH 100 -17.883 4.906 29.372 1.00 17.04 O HETATM 1511 O HOH 101 -33.600 -5.421 5.992 1.00 8.90 O HETATM 1512 O HOH 102 -27.464 0.342 21.935 1.00 31.50 O HETATM 1513 O HOH 103 -18.482 9.180 -7.675 1.00 50.77 O HETATM 1514 O HOH 104 -21.722 -9.463 -7.156 1.00 22.51 O HETATM 1515 O HOH 105 -32.679 9.201 16.239 1.00 36.06 O HETATM 1516 O HOH 106 -22.884 10.959 9.511 1.00 15.50 O HETATM 1517 O HOH 107 -14.281 -17.856 3.903 1.00 24.51 O HETATM 1518 O HOH 108 -1.478 -10.467 16.287 1.00 26.48 O HETATM 1519 O HOH 109 -3.305 2.473 24.357 1.00 27.47 O HETATM 1520 O HOH 110 -8.313 4.774 1.172 1.00 22.35 O HETATM 1521 O HOH 111 -15.450 4.406 -6.185 1.00 37.40 O HETATM 1522 O HOH 112 -0.696 5.559 15.941 1.00 25.86 O HETATM 1523 O HOH 113 -27.881 -5.038 -5.067 1.00 17.23 O HETATM 1524 O HOH 114 -10.645 -5.929 27.390 1.00 40.68 O HETATM 1525 O HOH 115 -19.386 -5.703 26.656 1.00 30.80 O HETATM 1526 O HOH 116 -12.638 -4.552 -9.176 1.00 35.82 O HETATM 1527 O HOH 117 -25.679 -20.146 3.685 1.00 25.92 O HETATM 1528 O HOH 118 -0.022 -5.244 13.665 1.00 29.85 O HETATM 1529 O HOH 119 -16.937 0.981 -9.020 1.00 27.95 O HETATM 1530 O HOH 120 -23.308 -4.381 20.462 1.00 22.59 O HETATM 1531 O HOH 121 -1.738 -0.038 25.248 1.00 32.88 O HETATM 1532 O HOH 122 -31.345 -3.790 6.023 1.00 8.88 O HETATM 1533 O HOH 123 -3.076 -10.759 10.863 1.00 27.79 O HETATM 1534 O HOH 124 -26.314 -0.863 15.309 1.00 24.89 O HETATM 1535 O HOH 125 -18.901 -5.268 -6.098 1.00 14.16 O HETATM 1536 O HOH 126 -27.685 -10.729 12.681 1.00 30.14 O HETATM 1537 O HOH 127 -13.429 10.650 11.897 1.00 21.13 O HETATM 1538 O HOH 128 -16.222 11.311 17.090 1.00 12.00 O HETATM 1539 O HOH 129 -16.724 12.238 19.611 1.00 11.77 O HETATM 1540 O HOH 130 -10.636 -7.561 -9.087 1.00 19.12 O HETATM 1541 O HOH 131 -0.980 -0.882 13.356 1.00 17.98 O HETATM 1542 O HOH 132 -14.668 14.658 17.622 1.00 21.55 O HETATM 1543 O HOH 133 -22.799 -5.329 25.495 1.00 27.87 O HETATM 1544 O HOH 134 -30.894 11.761 14.208 1.00 25.79 O HETATM 1545 O HOH 135 -3.524 9.775 18.372 1.00 29.15 O HETATM 1546 O HOH 136 -3.947 -7.330 9.114 1.00 13.64 O HETATM 1547 O HOH 137 -28.112 4.600 -3.184 1.00 27.50 O HETATM 1548 O HOH 138 -9.154 -3.544 26.559 1.00 22.92 O HETATM 1549 O HOH 139 1.178 -1.902 24.520 1.00 40.04 O HETATM 1550 O HOH 140 -24.057 -1.928 16.822 1.00 16.70 O HETATM 1551 O HOH 141 -31.517 8.441 1.630 1.00 33.62 O HETATM 1552 O HOH 142 -25.326 -1.232 19.237 1.00 14.39 O HETATM 1553 O HOH 143 2.648 3.057 14.447 1.00 21.83 O HETATM 1554 O HOH 144 -18.291 -6.652 20.517 1.00 15.92 O HETATM 1555 O HOH 145 -30.528 4.015 19.783 1.00 22.83 O HETATM 1556 O HOH 146 -8.598 9.996 7.268 1.00 34.89 O HETATM 1557 O HOH 147 -19.870 -4.488 21.861 1.00 15.99 O HETATM 1558 O HOH 148 -23.738 -7.094 17.714 1.00 13.31 O HETATM 1559 O HOH 149 -30.567 4.524 13.172 1.00 10.17 O HETATM 1560 O HOH 150 -27.281 -4.199 16.280 1.00 22.64 O HETATM 1561 O HOH 151 -7.260 -14.440 17.226 1.00 15.93 O HETATM 1562 O HOH 152 -21.940 12.801 5.205 1.00 42.36 O HETATM 1563 O HOH 153 -12.374 -20.041 2.110 1.00 29.65 O HETATM 1564 O HOH 154 -4.205 2.959 7.288 1.00 16.82 O HETATM 1565 O HOH 155 -18.602 10.407 -3.799 1.00 32.53 O HETATM 1566 O HOH 156 -33.379 -1.056 -1.297 1.00 19.98 O HETATM 1567 O HOH 157 -0.699 -2.802 8.633 1.00 10.05 O HETATM 1568 O HOH 158 -22.163 -17.124 13.575 1.00 22.31 O HETATM 1569 O HOH 159 -14.156 10.709 3.913 1.00 33.84 O HETATM 1570 O HOH 160 -30.812 -9.665 6.846 1.00 13.39 O HETATM 1571 O HOH 161 -30.772 8.335 19.296 1.00 19.24 O HETATM 1572 O HOH 162 -36.735 1.397 7.838 1.00 17.31 O HETATM 1573 O HOH 163 -2.316 -3.192 27.335 1.00 22.10 O HETATM 1574 O HOH 164 -2.700 6.543 11.171 1.00 16.80 O HETATM 1575 O HOH 165 -31.214 -1.493 15.636 1.00 50.19 O HETATM 1576 O HOH 166 -29.315 -8.972 12.344 1.00 36.78 O HETATM 1577 O HOH 167 -11.428 -2.291 -7.810 1.00 33.95 O HETATM 1578 O HOH 168 -14.634 13.422 25.904 1.00 12.27 O HETATM 1579 O HOH 169 -30.328 1.838 15.259 1.00 24.27 O HETATM 1580 O HOH 170 -6.638 0.417 0.342 1.00 17.35 O HETATM 1581 O HOH 171 -0.600 3.246 24.143 1.00 35.54 O HETATM 1582 O HOH 172 -28.101 4.355 27.579 1.00 26.20 O HETATM 1583 O HOH 173 -26.908 -17.228 7.845 1.00 24.49 O HETATM 1584 O HOH 174 -1.486 -7.277 10.151 1.00 13.76 O HETATM 1585 O HOH 175 -7.145 -11.082 4.648 1.00 19.94 O HETATM 1586 O HOH 176 -13.927 -16.650 11.400 1.00 23.36 O HETATM 1587 O HOH 177 -27.952 10.521 4.416 1.00 24.18 O HETATM 1588 O HOH 178 -24.692 -12.748 15.388 1.00 22.75 O HETATM 1589 O HOH 179 -1.760 -3.374 12.566 1.00 14.87 O HETATM 1590 O HOH 180 -15.625 7.024 22.027 1.00 9.74 O HETATM 1591 O HOH 181 -13.280 -20.944 15.868 1.00 38.16 O HETATM 1592 O HOH 182 -3.717 5.582 23.044 1.00 33.60 O HETATM 1593 O HOH 183 -8.762 3.402 -2.453 1.00 30.07 O HETATM 1594 O HOH 184 -23.225 -0.158 -5.967 1.00 23.51 O HETATM 1595 O HOH 185 -26.496 0.111 24.963 1.00 39.56 O HETATM 1596 O HOH 186 -0.947 5.259 13.163 1.00 15.03 O HETATM 1597 O HOH 187 -27.545 -0.019 17.917 1.00 23.51 O HETATM 1598 O HOH 188 -11.260 -14.775 11.625 1.00 21.35 O HETATM 1599 O HOH 189 -16.699 0.839 14.826 1.00 11.57 O HETATM 1600 O HOH 190 -15.813 11.283 12.784 1.00 32.76 O HETATM 1601 O HOH 191 -3.147 -7.403 27.791 1.00 17.97 O HETATM 1602 O HOH 192 3.250 1.943 18.421 1.00 33.17 O HETATM 1603 O HOH 193 -12.146 8.191 3.582 1.00 39.72 O HETATM 1604 O HOH 194 -14.043 -15.082 9.471 1.00 37.16 O HETATM 1605 O HOH 195 -25.249 -4.658 18.451 1.00 34.47 O HETATM 1606 O HOH 196 -19.548 2.912 -5.976 1.00 22.18 O HETATM 1607 O HOH 197 -1.282 -10.264 13.556 1.00 45.08 O HETATM 1608 O HOH 198 -21.231 12.755 8.174 1.00 28.93 O HETATM 1609 O HOH 199 -25.751 6.887 -4.125 1.00 35.30 O HETATM 1610 O HOH 200 -24.451 -5.601 22.763 1.00 34.39 O HETATM 1611 O HOH 201 -35.141 -1.615 11.860 1.00 33.01 O HETATM 1612 O HOH 202 -14.751 1.284 12.893 1.00 11.76 O HETATM 1613 O HOH 203 -5.243 -8.824 28.938 1.00 22.81 O HETATM 1614 O HOH 204 -18.628 -0.316 9.480 1.00 28.54 O HETATM 1615 O HOH 205 -28.703 -2.213 16.644 1.00 35.86 O HETATM 1616 O HOH 206 -8.084 10.030 11.710 1.00 45.35 O HETATM 1617 O HOH 207 -10.296 -5.057 -9.048 1.00 42.69 O HETATM 1618 O HOH 208 -14.775 -5.447 -10.946 1.00 36.48 O HETATM 1619 O HOH 209 -35.788 11.430 14.568 1.00 41.45 O HETATM 1620 O HOH 210 2.986 0.676 20.862 1.00 39.04 O HETATM 1621 O HOH 211 -36.689 -0.557 9.810 1.00 19.23 O HETATM 1622 O HOH 212 -10.591 2.093 28.181 1.00 39.42 O HETATM 1623 O HOH 213 -0.597 -11.771 23.972 1.00 32.44 O HETATM 1624 O HOH 214 -33.223 12.032 12.738 1.00 41.30 O HETATM 1625 O HOH 215 -18.058 -16.486 10.532 1.00 28.31 O HETATM 1626 O HOH 216 -17.476 -5.735 -10.200 1.00 33.06 O HETATM 1627 O HOH 217 -9.010 4.044 28.931 1.00 36.00 O HETATM 1628 O HOH 218 -3.001 -13.707 19.942 1.00 30.53 O HETATM 1629 O HOH 219 -32.584 0.945 14.616 1.00 35.89 O HETATM 1630 O HOH 220 -31.230 4.082 22.395 1.00 32.56 O HETATM 1631 O HOH 221 -16.139 -0.232 10.942 1.00 21.69 O HETATM 1632 O HOH 222 -19.215 -2.234 11.581 1.00 31.57 O HETATM 1633 O HOH 223 -1.559 5.781 8.732 1.00 26.39 O HETATM 1634 O HOH 224 -28.246 12.824 6.275 1.00 38.84 O HETATM 1635 O HOH 225 -2.585 6.170 20.319 1.00 22.85 O HETATM 1636 O HOH 226 -22.869 13.024 14.277 1.00 29.05 O HETATM 1637 O HOH 227 -17.032 5.835 -4.403 1.00 33.17 O HETATM 1638 O HOH 228 0.367 -9.387 24.391 1.00 33.15 O HETATM 1639 O HOH 229 -38.667 3.368 7.368 1.00 17.70 O HETATM 1640 O HOH 230 -38.097 4.191 4.736 1.00 32.29 O HETATM 1641 O HOH 231 -20.567 14.353 -3.697 1.00 41.16 O HETATM 1642 O HOH 232 -19.291 -18.549 14.244 1.00 39.55 O HETATM 1643 O HOH 233 -5.017 4.518 5.237 1.00 26.93 O HETATM 1644 O HOH 234 -0.601 -9.820 10.428 1.00 21.85 O HETATM 1645 O HOH 235 -16.411 13.526 15.479 1.00 31.51 O HETATM 1646 O HOH 236 -14.788 -7.840 -11.497 1.00 35.49 O HETATM 1647 O HOH 237 -20.253 -16.452 9.612 1.00 40.59 O HETATM 1648 O HOH 238 -0.511 -9.011 27.643 1.00 34.69 O HETATM 1649 O HOH 239 -1.071 9.548 14.406 1.00 37.91 O HETATM 1650 O HOH 240 -31.606 11.557 6.236 1.00 46.10 O HETATM 1651 O HOH 241 -35.059 -6.461 8.113 1.00 10.02 O HETATM 1652 O HOH 242 1.408 -1.533 14.658 1.00 32.68 O HETATM 1653 O HOH 243 -11.613 13.218 10.811 1.00 42.09 O HETATM 1654 O HOH 244 -18.708 -7.148 -8.028 1.00 16.27 O HETATM 1655 O HOH 245 1.238 5.263 11.608 1.00 37.61 O HETATM 1656 O HOH 246 -2.614 -5.161 29.255 1.00 32.78 O HETATM 1657 O HOH 247 -0.906 7.554 17.071 1.00 41.29 O HETATM 1658 O HOH 248 -7.346 -16.183 15.101 1.00 28.33 O HETATM 1659 O HOH 249 -13.666 -18.991 10.216 1.00 38.75 O HETATM 1660 O HOH 250 -35.773 -4.054 12.310 1.00 44.45 O HETATM 1661 O HOH 251 -23.134 12.918 11.475 1.00 27.20 O HETATM 1662 O HOH 252 -21.421 -7.427 -8.476 1.00 33.69 O HETATM 1663 O HOH 253 -28.856 -6.374 15.915 1.00 21.62 O HETATM 1664 O HOH 254 -21.520 -4.552 -5.732 1.00 14.10 O HETATM 1665 O HOH 255 -16.480 16.403 0.630 1.00 47.81 O HETATM 1666 O HOH 256 -29.371 6.771 -5.240 1.00 42.45 O HETATM 1667 O HOH 257 -32.353 4.001 17.724 1.00 38.22 O HETATM 1668 O HOH 258 -17.622 -9.649 -8.346 1.00 17.63 O HETATM 1669 O HOH 259 -33.600 -7.915 9.860 1.00 24.84 O HETATM 1670 O HOH 260 -34.804 1.790 -2.501 1.00 43.56 O HETATM 1671 O HOH 261 -3.404 9.994 8.165 1.00 39.51 O HETATM 1672 O HOH 262 -3.351 -0.832 27.597 1.00 37.57 O HETATM 1673 O HOH 263 -10.659 -7.821 -11.589 1.00 34.32 O HETATM 1674 O HOH 264 -4.396 -16.780 13.569 1.00 55.66 O HETATM 1675 O HOH 265 -28.130 9.761 -1.084 1.00 40.98 O HETATM 1676 O HOH 266 -21.615 -2.155 -7.032 1.00 25.80 O HETATM 1677 O HOH 267 -3.247 -16.051 11.317 1.00 37.38 O HETATM 1678 O HOH 268 -32.003 3.659 15.219 1.00 24.71 O HETATM 1679 O HOH 269 -27.078 -2.522 21.180 1.00 32.16 O HETATM 1680 O HOH 270 1.539 -8.041 20.750 1.00 36.79 O HETATM 1681 O HOH 271 0.191 -12.336 16.736 1.00 34.09 O HETATM 1682 O HOH 272 -9.498 12.539 11.180 1.00 38.15 O HETATM 1683 O HOH 273 -32.404 6.958 20.600 1.00 29.94 O HETATM 1684 O HOH 274 -21.447 1.711 -6.819 1.00 39.64 O HETATM 1685 O HOH 275 -18.152 -21.427 16.140 1.00 35.24 O HETATM 1686 O HOH 276 -7.609 11.361 8.988 1.00 46.10 O HETATM 1687 O HOH 277 0.408 -2.635 27.167 1.00 33.86 O HETATM 1688 O HOH 278 -3.063 -14.230 24.015 1.00 30.36 O HETATM 1689 O HOH 279 0.224 -5.208 9.620 1.00 11.25 O HETATM 1690 O HOH 280 -4.139 7.127 5.165 1.00 31.65 O HETATM 1691 O HOH 281 -5.256 -15.391 19.181 1.00 38.09 O HETATM 1692 O HOH 282 -27.978 7.311 -2.948 1.00 32.44 O HETATM 1693 O HOH 283 -25.693 -9.149 17.997 1.00 15.71 O HETATM 1694 O HOH 284 -17.323 -1.927 13.322 1.00 49.83 O HETATM 1695 O HOH 285 -28.420 -10.478 14.993 1.00 34.94 O HETATM 1696 O HOH 286 -6.061 7.198 0.504 1.00 37.60 O HETATM 1697 O HOH 287 -18.560 15.245 15.938 1.00 43.92 O HETATM 1698 O HOH 288 -1.068 -11.812 27.691 1.00 40.82 O HETATM 1699 O HOH 289 -2.416 7.986 7.136 1.00 36.14 O HETATM 1700 O HOH 290 2.446 -3.786 26.825 1.00 44.26 O HETATM 1701 O HOH 291 -27.989 -8.746 16.762 1.00 21.87 O HETATM 1702 O HOH 292 -3.639 -16.190 22.452 1.00 39.01 O HETATM 1703 O HOH 293 -21.301 15.013 10.782 1.00 34.23 O HETATM 1704 O HOH 294 -16.408 14.249 10.633 1.00 40.04 O HETATM 1705 O HOH 295 -27.566 -6.319 20.243 1.00 41.66 O HETATM 1706 O HOH 296 -2.553 -17.500 14.257 1.00 41.61 O HETATM 1707 O HOH 297 -17.810 -8.050 -12.541 1.00 43.91 O HETATM 1708 O HOH 298 -30.225 14.209 4.786 1.00 41.85 O HETATM 1709 O HOH 299 -26.204 -9.019 20.813 1.00 35.76 O HETATM 1710 O HOH 300 0.688 -14.540 14.666 1.00 44.22 O HETATM 1711 O HOH 301 -3.612 -17.396 17.759 1.00 37.94 O HETATM 1712 O HOH 302 -0.758 -16.488 14.821 1.00 49.31 O HETATM 1713 C01 HVD A 303 -12.144 -6.504 18.674 1.00 -0.08 C HETATM 1714 C02 HVD A 303 -12.852 -7.721 19.249 1.00 -0.03 C HETATM 1715 C03 HVD A 303 -14.066 -8.184 18.443 1.00 -0.03 C HETATM 1716 C04 HVD A 303 -13.739 -8.186 16.965 1.00 0.01 C HETATM 1717 C05 HVD A 303 -13.446 -6.740 16.555 1.00 0.00 C HETATM 1718 C06 HVD A 303 -12.375 -6.101 17.436 1.00 -0.10 C HETATM 1719 H7 HVD A 303 -11.780 -5.284 17.030 1.00 0.03 H HETATM 1720 C08 HVD A 303 -13.018 -6.642 15.086 1.00 -0.01 C HETATM 1721 C12 HVD A 303 -13.794 -5.900 14.164 1.00 -0.06 C HETATM 1722 C13 HVD A 303 -13.390 -5.819 12.847 1.00 -0.05 C HETATM 1723 C14 HVD A 303 -12.270 -6.429 12.422 1.00 0.07 C HETATM 1724 C15 HVD A 303 -11.509 -7.163 13.263 1.00 -0.02 C HETATM 1725 C16 HVD A 303 -11.849 -7.276 14.594 1.00 0.08 C HETATM 1726 O01 HVD A 303 -11.047 -8.019 15.459 1.00 -0.34 O HETATM 1727 H18 HVD A 303 -10.173 -7.648 15.476 1.00 0.25 H HETATM 1728 H17 HVD A 303 -10.625 -7.667 12.889 1.00 0.04 H HETATM 1729 O02 HVD A 303 -11.895 -6.329 11.071 1.00 -0.34 O HETATM 1730 H19 HVD A 303 -12.522 -5.785 10.609 1.00 0.25 H HETATM 1731 H16 HVD A 303 -13.987 -5.253 12.142 1.00 0.04 H HETATM 1732 C17 HVD A 303 -15.058 -5.159 14.569 1.00 -0.03 C HETATM 1733 C18 HVD A 303 -14.735 -3.884 15.365 1.00 -0.04 C HETATM 1734 C19 HVD A 303 -14.017 -2.831 14.518 1.00 -0.05 C HETATM 1735 C20 HVD A 303 -13.775 -1.563 15.355 1.00 -0.06 C HETATM 1736 C21 HVD A 303 -12.653 -1.798 16.360 1.00 -0.07 C HETATM 1737 H28 HVD A 303 -12.492 -0.884 16.950 1.00 0.02 H HETATM 1738 H29 HVD A 303 -11.728 -2.056 15.823 1.00 0.02 H HETATM 1739 H30 HVD A 303 -12.930 -2.624 17.032 1.00 0.02 H HETATM 1740 H26 HVD A 303 -14.697 -1.303 15.895 1.00 0.03 H HETATM 1741 H27 HVD A 303 -13.496 -0.735 14.687 1.00 0.03 H HETATM 1742 H24 HVD A 303 -14.638 -2.579 13.646 1.00 0.03 H HETATM 1743 H25 HVD A 303 -13.052 -3.233 14.177 1.00 0.03 H HETATM 1744 H22 HVD A 303 -14.091 -4.152 16.215 1.00 0.03 H HETATM 1745 H23 HVD A 303 -15.676 -3.454 15.739 1.00 0.03 H HETATM 1746 H20 HVD A 303 -15.677 -5.822 15.192 1.00 0.04 H HETATM 1747 H21 HVD A 303 -15.616 -4.882 13.662 1.00 0.04 H HETATM 1748 H6 HVD A 303 -14.376 -6.165 16.679 1.00 0.05 H HETATM 1749 C09 HVD A 303 -14.885 -8.751 16.130 1.00 -0.07 C HETATM 1750 C10 HVD A 303 -14.532 -9.705 14.993 1.00 -0.03 C HETATM 1751 H11 HVD A 303 -15.453 -10.027 14.485 1.00 0.04 H HETATM 1752 H12 HVD A 303 -14.011 -10.584 15.400 1.00 0.04 H HETATM 1753 H13 HVD A 303 -13.877 -9.192 14.274 1.00 0.04 H HETATM 1754 C11 HVD A 303 -16.147 -8.426 16.363 1.00 -0.13 C HETATM 1755 H14 HVD A 303 -16.392 -7.745 17.176 1.00 0.01 H HETATM 1756 H15 HVD A 303 -16.940 -8.840 15.742 1.00 0.01 H HETATM 1757 H5 HVD A 303 -12.844 -8.803 16.795 1.00 0.05 H HETATM 1758 H3 HVD A 303 -14.908 -7.501 18.628 1.00 0.03 H HETATM 1759 H4 HVD A 303 -14.344 -9.201 18.756 1.00 0.03 H HETATM 1760 H1 HVD A 303 -13.188 -7.474 20.267 1.00 0.04 H HETATM 1761 H2 HVD A 303 -12.131 -8.550 19.292 1.00 0.04 H HETATM 1762 C07 HVD A 303 -11.182 -5.731 19.572 1.00 -0.04 C HETATM 1763 H8 HVD A 303 -10.756 -4.886 19.011 1.00 0.04 H HETATM 1764 H9 HVD A 303 -10.372 -6.398 19.902 1.00 0.04 H HETATM 1765 H10 HVD A 303 -11.725 -5.352 20.450 1.00 0.04 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1713 1714 1718 1762 CONECT 1714 1713 1715 1760 1761 CONECT 1715 1714 1716 1758 1759 CONECT 1716 1715 1717 1749 1757 CONECT 1717 1716 1718 1720 1748 CONECT 1718 1713 1717 1719 CONECT 1719 1718 CONECT 1720 1717 1721 1725 CONECT 1721 1720 1722 1732 CONECT 1722 1721 1723 1731 CONECT 1723 1722 1724 1729 CONECT 1724 1723 1725 1728 CONECT 1725 1720 1724 1726 CONECT 1726 1725 1727 CONECT 1727 1726 CONECT 1728 1724 CONECT 1729 1723 1730 CONECT 1730 1729 CONECT 1731 1722 CONECT 1732 1721 1733 1746 1747 CONECT 1733 1732 1734 1744 1745 CONECT 1734 1733 1735 1742 1743 CONECT 1735 1734 1736 1740 1741 CONECT 1736 1735 1737 1738 1739 CONECT 1737 1736 CONECT 1738 1736 CONECT 1739 1736 CONECT 1740 1735 CONECT 1741 1735 CONECT 1742 1734 CONECT 1743 1734 CONECT 1744 1733 CONECT 1745 1733 CONECT 1746 1732 CONECT 1747 1732 CONECT 1748 1717 CONECT 1749 1716 1750 1754 CONECT 1750 1749 1751 1752 1753 CONECT 1751 1750 CONECT 1752 1750 CONECT 1753 1750 CONECT 1754 1749 1755 1756 CONECT 1755 1754 CONECT 1756 1754 CONECT 1757 1716 CONECT 1758 1715 CONECT 1759 1715 CONECT 1760 1714 CONECT 1761 1714 CONECT 1762 1713 1763 1764 1765 CONECT 1763 1762 CONECT 1764 1762 CONECT 1765 1762 MASTER 0 0 0 0 0 0 0 0 1764 1 56 11 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6e5l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ha1
RCSB PDB
PDBbind
140aa, >5HA1_1|Chain... *
5hbs
RCSB PDB
PDBbind
140aa, >5HBS_1|Chain... at 100%
6e6m
RCSB PDB
PDBbind
140aa, >6E6M_1|Chains... at 100%
6e5t
RCSB PDB
PDBbind
140aa, >6E5T_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6e5l
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Retinol-binding protein 1
Ligand Name
HVD
EC.Number
E.C.-.-.-.-
Resolution
1.17(Å)
Affinity (Kd/Ki/IC50)
Ki=66.7nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Chem.Biol. Vol. 14: pp. 434-448
Ligand Properties
Formula
C
2
1
H
3
0
O
2
Molecular Weight
314.462
Exact Mass
314.225
No. of atoms
53
No. of bonds
54
Polar Surface Area
40.46
LOGP Value
6.52 (
Computed with XLOGP3
)
5.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O
InChI String
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/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):
P09455
Entrez Gene ID
NCBI Entrez Gene ID:
5947
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓