Browse entries in the PDBbind-CN Database
HEADER 4W50_COMPLEX COMPND 4W50_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 177 GLY ASN GLU VAL THR LEU LEU ASP SER ARG SER VAL GLN SEQRES 2 A 177 GLY GLU LEU GLY TRP ILE ALA SER PRO LEU GLU GLY GLY SEQRES 3 A 177 TRP GLU GLU VAL SER ILE MET ASP GLU LYS ASN THR PRO SEQRES 4 A 177 ILE ARG THR TYR GLN VAL CYS ASN VAL MET GLU PRO SER SEQRES 5 A 177 GLN ASN ASN TRP LEU ARG THR ASP TRP ILE THR ARG GLU SEQRES 6 A 177 GLY ALA GLN ARG VAL TYR ILE GLU ILE LYS PHE THR LEU SEQRES 7 A 177 ARG ASP CYS ASN SER LEU PRO GLY VAL MET GLY THR CYS SEQRES 8 A 177 LYS GLU THR PHE ASN LEU TYR TYR TYR GLU SER ASP ASN SEQRES 9 A 177 ASP LYS GLU ARG PHE ILE ARG GLU ASN GLN PHE VAL LYS SEQRES 10 A 177 ILE ASP THR ILE ALA ALA ASP GLU SER PHE THR GLN VAL SEQRES 11 A 177 ASP ILE GLY ASP ARG ILE MET LYS LEU ASN THR GLU ILE SEQRES 12 A 177 ARG ASP VAL GLY PRO LEU SER LYS LYS GLY PHE TYR LEU SEQRES 13 A 177 ALA PHE GLN ASP VAL GLY ALA CYS ILE ALA LEU VAL SER SEQRES 14 A 177 VAL ARG VAL PHE TYR LYS LYS ALA HET ALA A 230 182 SSBOND 1 CYS A 108 CYS A 118 SSBOND 2 CYS A 73 CYS A 191 ATOM 1 N GLY A 28 3.157 2.245 -1.167 1.00 60.78 N ATOM 2 CA GLY A 28 2.722 3.371 -0.296 1.00 62.18 C ATOM 3 C GLY A 28 2.521 2.969 1.156 1.00 61.93 C ATOM 4 O GLY A 28 3.246 3.425 2.048 1.00 64.24 O ATOM 5 HN3 GLY A 28 2.437 1.495 -1.147 1.00 0.00 H ATOM 6 HN2 GLY A 28 4.062 1.868 -0.819 1.00 0.00 H ATOM 7 HN1 GLY A 28 3.275 2.588 -2.142 1.00 0.00 H ATOM 8 N ASN A 29 1.491 2.166 1.393 1.00 58.87 N ATOM 9 CA ASN A 29 1.260 1.552 2.704 1.00 57.76 C ATOM 10 C ASN A 29 0.777 0.101 2.597 1.00 54.10 C ATOM 11 O ASN A 29 0.361 -0.491 3.588 1.00 51.58 O ATOM 12 CB ASN A 29 0.274 2.387 3.521 1.00 59.24 C ATOM 13 CG ASN A 29 -0.952 2.789 2.725 1.00 60.02 C ATOM 14 OD1 ASN A 29 -1.915 2.015 2.611 1.00 59.74 O ATOM 15 ND2 ASN A 29 -0.935 4.014 2.176 1.00 61.60 N ATOM 16 HD22 ASN A 29 -0.104 4.627 2.299 1.00 0.00 H ATOM 17 HD21 ASN A 29 -1.753 4.350 1.628 1.00 0.00 H ATOM 18 H ASN A 29 0.824 1.965 0.621 1.00 0.00 H ATOM 19 N GLU A 30 0.846 -0.456 1.390 1.00 52.09 N ATOM 20 CA GLU A 30 0.551 -1.862 1.161 1.00 50.51 C ATOM 21 C GLU A 30 1.853 -2.622 1.249 1.00 50.04 C ATOM 22 O GLU A 30 2.911 -2.105 0.903 1.00 52.11 O ATOM 23 CB GLU A 30 -0.073 -2.072 -0.209 1.00 49.49 C ATOM 24 CG GLU A 30 -1.526 -1.663 -0.273 1.00 49.24 C ATOM 25 CD GLU A 30 -2.137 -1.818 -1.652 1.00 49.15 C ATOM 26 OE1 GLU A 30 -1.459 -2.318 -2.585 1.00 48.62 O ATOM 27 OE2 GLU A 30 -3.318 -1.429 -1.803 1.00 50.37 O ATOM 28 H GLU A 30 1.121 0.136 0.580 1.00 0.00 H ATOM 29 N VAL A 31 1.786 -3.846 1.736 1.00 48.17 N ATOM 30 CA VAL A 31 2.996 -4.604 2.026 1.00 47.17 C ATOM 31 C VAL A 31 2.698 -6.048 1.722 1.00 44.34 C ATOM 32 O VAL A 31 1.954 -6.696 2.442 1.00 43.39 O ATOM 33 CB VAL A 31 3.429 -4.412 3.489 1.00 48.39 C ATOM 34 CG1 VAL A 31 4.365 -5.522 3.967 1.00 48.84 C ATOM 35 CG2 VAL A 31 4.110 -3.059 3.631 1.00 50.54 C ATOM 36 H VAL A 31 0.856 -4.276 1.916 1.00 0.00 H ATOM 37 N THR A 32 3.297 -6.534 0.646 1.00 42.62 N ATOM 38 CA THR A 32 3.008 -7.844 0.132 1.00 40.55 C ATOM 39 C THR A 32 3.560 -8.922 1.022 1.00 40.04 C ATOM 40 O THR A 32 4.741 -8.930 1.308 1.00 40.27 O ATOM 41 CB THR A 32 3.647 -8.037 -1.248 1.00 40.15 C ATOM 42 OG1 THR A 32 3.400 -6.883 -2.047 1.00 40.12 O ATOM 43 CG2 THR A 32 3.044 -9.250 -1.938 1.00 38.97 C ATOM 44 HG1 THR A 32 3.812 -7.006 -2.939 1.00 0.00 H ATOM 45 H THR A 32 4.002 -5.947 0.156 1.00 0.00 H ATOM 46 N LEU A 33 2.694 -9.847 1.422 1.00 38.93 N ATOM 47 CA LEU A 33 3.127 -11.117 2.022 1.00 39.09 C ATOM 48 C LEU A 33 3.230 -12.246 0.950 1.00 38.01 C ATOM 49 O LEU A 33 4.029 -13.159 1.093 1.00 39.04 O ATOM 50 CB LEU A 33 2.166 -11.532 3.133 1.00 38.60 C ATOM 51 CG LEU A 33 1.806 -10.451 4.153 1.00 38.85 C ATOM 52 CD1 LEU A 33 0.658 -10.852 5.076 1.00 38.26 C ATOM 53 CD2 LEU A 33 3.046 -10.148 4.940 1.00 40.17 C ATOM 54 H LEU A 33 1.676 -9.666 1.307 1.00 0.00 H ATOM 55 N LEU A 34 2.435 -12.184 -0.112 1.00 36.44 N ATOM 56 CA LEU A 34 2.573 -13.127 -1.244 1.00 35.82 C ATOM 57 C LEU A 34 2.199 -12.503 -2.560 1.00 34.73 C ATOM 58 O LEU A 34 1.185 -11.859 -2.665 1.00 33.75 O ATOM 59 CB LEU A 34 1.663 -14.332 -1.040 1.00 35.56 C ATOM 60 CG LEU A 34 1.642 -15.415 -2.109 1.00 35.32 C ATOM 61 CD1 LEU A 34 3.040 -15.745 -2.606 1.00 36.69 C ATOM 62 CD2 LEU A 34 0.973 -16.646 -1.542 1.00 34.93 C ATOM 63 H LEU A 34 1.696 -11.453 -0.149 1.00 0.00 H ATOM 64 N ASP A 35 3.025 -12.692 -3.567 1.00 35.01 N ATOM 65 CA ASP A 35 2.667 -12.323 -4.916 1.00 34.33 C ATOM 66 C ASP A 35 3.123 -13.409 -5.890 1.00 33.88 C ATOM 67 O ASP A 35 4.275 -13.474 -6.295 1.00 34.52 O ATOM 68 CB ASP A 35 3.285 -10.975 -5.242 1.00 35.72 C ATOM 69 CG ASP A 35 2.768 -10.376 -6.546 1.00 35.42 C ATOM 70 OD1 ASP A 35 2.047 -11.034 -7.304 1.00 35.11 O ATOM 71 OD2 ASP A 35 3.133 -9.235 -6.830 1.00 36.62 O ATOM 72 H ASP A 35 3.957 -13.117 -3.387 1.00 0.00 H ATOM 73 N SER A 36 2.202 -14.280 -6.258 1.00 33.41 N ATOM 74 CA SER A 36 2.489 -15.322 -7.236 1.00 33.66 C ATOM 75 C SER A 36 3.281 -14.762 -8.434 1.00 35.07 C ATOM 76 O SER A 36 4.241 -15.383 -8.857 1.00 35.28 O ATOM 77 CB SER A 36 1.182 -16.013 -7.681 1.00 32.65 C ATOM 78 OG SER A 36 0.468 -15.243 -8.629 1.00 31.92 O ATOM 79 HG SER A 36 1.032 -15.103 -9.431 1.00 0.00 H ATOM 80 H SER A 36 1.251 -14.222 -5.841 1.00 0.00 H ATOM 81 N ARG A 37 2.929 -13.568 -8.926 1.00 36.18 N ATOM 82 CA ARG A 37 3.619 -12.954 -10.090 1.00 37.93 C ATOM 83 C ARG A 37 5.151 -12.800 -10.004 1.00 39.77 C ATOM 84 O ARG A 37 5.821 -12.818 -11.048 1.00 40.79 O ATOM 85 CB ARG A 37 3.061 -11.559 -10.405 1.00 38.57 C ATOM 86 CG ARG A 37 1.623 -11.494 -10.881 1.00 38.45 C ATOM 87 CD ARG A 37 1.414 -12.091 -12.271 1.00 39.24 C ATOM 88 NE ARG A 37 2.502 -11.801 -13.220 1.00 40.73 N ATOM 89 CZ ARG A 37 2.554 -10.785 -14.083 1.00 41.18 C ATOM 90 NH1 ARG A 37 1.577 -9.889 -14.188 1.00 40.85 N ATOM 91 NH2 ARG A 37 3.617 -10.684 -14.872 1.00 42.63 N ATOM 92 HE ARG A 37 3.311 -12.454 -13.217 1.00 0.00 H ATOM 93 HH12 ARG A 37 1.656 -9.111 -14.874 1.00 0.00 H ATOM 94 HH11 ARG A 37 0.734 -9.966 -13.584 1.00 0.00 H ATOM 95 HH22 ARG A 37 3.685 -9.902 -15.555 1.00 0.00 H ATOM 96 HH21 ARG A 37 4.381 -11.386 -14.807 1.00 0.00 H ATOM 97 H ARG A 37 2.145 -13.052 -8.478 1.00 0.00 H ATOM 98 N SER A 38 5.707 -12.597 -8.805 1.00 40.64 N ATOM 99 CA SER A 38 7.145 -12.281 -8.672 1.00 42.92 C ATOM 100 C SER A 38 7.974 -13.463 -8.096 1.00 44.22 C ATOM 101 O SER A 38 9.142 -13.307 -7.663 1.00 44.81 O ATOM 102 CB SER A 38 7.341 -11.013 -7.829 1.00 43.91 C ATOM 103 OG SER A 38 6.737 -11.167 -6.554 1.00 44.32 O ATOM 104 HG SER A 38 6.872 -10.342 -6.024 1.00 0.00 H ATOM 105 H SER A 38 5.117 -12.663 -7.951 1.00 0.00 H ATOM 106 N VAL A 39 7.358 -14.640 -8.134 1.00 43.30 N ATOM 107 CA VAL A 39 7.922 -15.836 -7.580 1.00 43.93 C ATOM 108 C VAL A 39 8.885 -16.400 -8.602 1.00 45.21 C ATOM 109 O VAL A 39 8.672 -16.243 -9.810 1.00 45.55 O ATOM 110 CB VAL A 39 6.798 -16.826 -7.212 1.00 43.36 C ATOM 111 CG1 VAL A 39 7.311 -18.247 -7.021 1.00 44.22 C ATOM 112 CG2 VAL A 39 6.106 -16.336 -5.939 1.00 43.16 C ATOM 113 H VAL A 39 6.423 -14.696 -8.587 1.00 0.00 H ATOM 114 N GLN A 40 9.952 -17.030 -8.105 1.00 45.96 N ATOM 115 CA GLN A 40 11.039 -17.531 -8.933 1.00 46.45 C ATOM 116 C GLN A 40 10.935 -19.048 -9.123 1.00 45.75 C ATOM 117 O GLN A 40 10.959 -19.807 -8.158 1.00 45.01 O ATOM 118 CB GLN A 40 12.367 -17.189 -8.283 1.00 47.90 C ATOM 119 CG GLN A 40 12.707 -15.717 -8.322 1.00 48.56 C ATOM 120 CD GLN A 40 13.636 -15.347 -9.468 1.00 49.63 C ATOM 121 OE1 GLN A 40 14.189 -16.216 -10.158 1.00 50.06 O ATOM 122 NE2 GLN A 40 13.805 -14.041 -9.683 1.00 49.70 N ATOM 123 HE22 GLN A 40 13.320 -13.347 -9.078 1.00 0.00 H ATOM 124 HE21 GLN A 40 14.421 -13.717 -10.455 1.00 0.00 H ATOM 125 H GLN A 40 10.009 -17.170 -7.076 1.00 0.00 H ATOM 126 N GLY A 41 10.857 -19.477 -10.377 1.00 45.24 N ATOM 127 CA GLY A 41 10.517 -20.859 -10.692 1.00 45.26 C ATOM 128 C GLY A 41 9.068 -21.199 -10.365 1.00 44.10 C ATOM 129 O GLY A 41 8.261 -20.340 -10.025 1.00 43.49 O ATOM 130 H GLY A 41 11.043 -18.811 -11.154 1.00 0.00 H ATOM 131 N GLU A 42 8.753 -22.477 -10.448 1.00 44.63 N ATOM 132 CA GLU A 42 7.400 -22.975 -10.258 1.00 43.99 C ATOM 133 C GLU A 42 6.866 -22.675 -8.866 1.00 43.24 C ATOM 134 O GLU A 42 7.638 -22.629 -7.898 1.00 46.19 O ATOM 135 CB GLU A 42 7.388 -24.484 -10.484 1.00 45.22 C ATOM 136 CG GLU A 42 7.656 -24.873 -11.922 1.00 46.30 C ATOM 137 CD GLU A 42 7.414 -26.345 -12.172 1.00 48.07 C ATOM 138 OE1 GLU A 42 7.983 -27.172 -11.418 1.00 50.29 O ATOM 139 OE2 GLU A 42 6.658 -26.668 -13.112 1.00 47.87 O ATOM 140 H GLU A 42 9.508 -23.161 -10.659 1.00 0.00 H ATOM 141 N LEU A 43 5.551 -22.481 -8.765 1.00 40.22 N ATOM 142 CA LEU A 43 4.903 -22.293 -7.475 1.00 38.65 C ATOM 143 C LEU A 43 4.956 -23.592 -6.633 1.00 38.79 C ATOM 144 O LEU A 43 5.265 -23.553 -5.462 1.00 39.36 O ATOM 145 CB LEU A 43 3.462 -21.827 -7.661 1.00 37.34 C ATOM 146 CG LEU A 43 3.191 -20.590 -8.557 1.00 36.99 C ATOM 147 CD1 LEU A 43 1.740 -20.562 -9.006 1.00 35.94 C ATOM 148 CD2 LEU A 43 3.518 -19.266 -7.882 1.00 36.87 C ATOM 149 H LEU A 43 4.973 -22.464 -9.630 1.00 0.00 H ATOM 150 N GLY A 44 4.639 -24.741 -7.216 1.00 38.05 N ATOM 151 CA GLY A 44 4.709 -25.990 -6.474 1.00 38.44 C ATOM 152 C GLY A 44 3.702 -26.084 -5.338 1.00 37.51 C ATOM 153 O GLY A 44 3.873 -26.866 -4.429 1.00 38.84 O ATOM 154 H GLY A 44 4.338 -24.749 -8.211 1.00 0.00 H ATOM 155 N TRP A 45 2.635 -25.303 -5.395 1.00 35.53 N ATOM 156 CA TRP A 45 1.600 -25.330 -4.366 1.00 34.42 C ATOM 157 C TRP A 45 1.018 -26.736 -4.279 1.00 35.01 C ATOM 158 O TRP A 45 1.198 -27.532 -5.174 1.00 35.86 O ATOM 159 CB TRP A 45 0.494 -24.323 -4.707 1.00 32.82 C ATOM 160 CG TRP A 45 0.911 -22.876 -4.659 1.00 31.89 C ATOM 161 CD1 TRP A 45 2.130 -22.369 -4.255 1.00 32.27 C ATOM 162 CD2 TRP A 45 0.083 -21.741 -4.937 1.00 30.57 C ATOM 163 NE1 TRP A 45 2.112 -20.991 -4.315 1.00 31.50 N ATOM 164 CE2 TRP A 45 0.865 -20.581 -4.709 1.00 30.55 C ATOM 165 CE3 TRP A 45 -1.239 -21.589 -5.347 1.00 29.59 C ATOM 166 CZ2 TRP A 45 0.371 -19.297 -4.927 1.00 29.94 C ATOM 167 CZ3 TRP A 45 -1.737 -20.322 -5.550 1.00 29.07 C ATOM 168 CH2 TRP A 45 -0.934 -19.184 -5.351 1.00 29.46 C ATOM 169 HE1 TRP A 45 2.914 -20.365 -4.097 1.00 0.00 H ATOM 170 H TRP A 45 2.531 -24.650 -6.198 1.00 0.00 H ATOM 171 N ILE A 46 0.315 -27.044 -3.206 1.00 35.15 N ATOM 172 CA ILE A 46 -0.206 -28.389 -3.013 1.00 35.74 C ATOM 173 C ILE A 46 -1.603 -28.462 -3.593 1.00 34.57 C ATOM 174 O ILE A 46 -2.449 -27.659 -3.264 1.00 33.33 O ATOM 175 CB ILE A 46 -0.277 -28.793 -1.526 1.00 36.63 C ATOM 176 CG1 ILE A 46 1.068 -28.553 -0.833 1.00 37.73 C ATOM 177 CG2 ILE A 46 -0.694 -30.264 -1.381 1.00 37.71 C ATOM 178 CD1 ILE A 46 2.284 -29.082 -1.571 1.00 38.54 C ATOM 179 H ILE A 46 0.130 -26.315 -2.488 1.00 0.00 H ATOM 180 N ALA A 47 -1.820 -29.460 -4.434 1.00 35.24 N ATOM 181 CA ALA A 47 -3.091 -29.708 -5.078 1.00 34.96 C ATOM 182 C ALA A 47 -3.577 -31.055 -4.624 1.00 36.59 C ATOM 183 O ALA A 47 -2.777 -31.985 -4.410 1.00 37.10 O ATOM 184 CB ALA A 47 -2.909 -29.703 -6.594 1.00 34.77 C ATOM 185 H ALA A 47 -1.031 -30.104 -4.644 1.00 0.00 H ATOM 186 N SER A 48 -4.886 -31.170 -4.446 1.00 37.31 N ATOM 187 CA SER A 48 -5.481 -32.457 -4.156 1.00 39.58 C ATOM 188 C SER A 48 -6.823 -32.585 -4.834 1.00 40.18 C ATOM 189 O SER A 48 -7.782 -31.970 -4.396 1.00 41.27 O ATOM 190 CB SER A 48 -5.657 -32.673 -2.657 1.00 40.27 C ATOM 191 OG SER A 48 -6.448 -33.846 -2.461 1.00 41.75 O ATOM 192 HG SER A 48 -7.331 -33.723 -2.892 1.00 0.00 H ATOM 193 H SER A 48 -5.491 -30.327 -4.515 1.00 0.00 H ATOM 194 N PRO A 49 -6.932 -33.432 -5.865 1.00 41.15 N ATOM 195 CA PRO A 49 -5.950 -34.391 -6.349 1.00 41.95 C ATOM 196 C PRO A 49 -4.673 -33.738 -6.869 1.00 40.98 C ATOM 197 O PRO A 49 -4.657 -32.539 -7.173 1.00 39.41 O ATOM 198 CB PRO A 49 -6.701 -35.137 -7.470 1.00 42.60 C ATOM 199 CG PRO A 49 -7.790 -34.199 -7.872 1.00 41.71 C ATOM 200 CD PRO A 49 -8.202 -33.530 -6.606 1.00 41.01 C ATOM 201 N LEU A 50 -3.618 -34.550 -6.916 1.00 41.83 N ATOM 202 CA LEU A 50 -2.295 -34.158 -7.357 1.00 41.83 C ATOM 203 C LEU A 50 -2.210 -34.045 -8.873 1.00 41.79 C ATOM 204 O LEU A 50 -1.434 -33.245 -9.386 1.00 41.71 O ATOM 205 CB LEU A 50 -1.271 -35.208 -6.906 1.00 43.67 C ATOM 206 CG LEU A 50 -1.092 -35.418 -5.407 1.00 44.89 C ATOM 207 CD1 LEU A 50 -0.458 -36.769 -5.138 1.00 46.93 C ATOM 208 CD2 LEU A 50 -0.257 -34.290 -4.806 1.00 44.15 C ATOM 209 H LEU A 50 -3.754 -35.536 -6.614 1.00 0.00 H ATOM 210 N GLU A 51 -2.950 -34.891 -9.585 1.00 42.54 N ATOM 211 CA GLU A 51 -3.072 -34.795 -11.035 1.00 43.01 C ATOM 212 C GLU A 51 -4.548 -34.818 -11.413 1.00 42.44 C ATOM 213 O GLU A 51 -5.386 -35.395 -10.709 1.00 42.48 O ATOM 214 CB GLU A 51 -2.403 -35.965 -11.741 1.00 45.41 C ATOM 215 CG GLU A 51 -0.916 -36.086 -11.519 1.00 46.65 C ATOM 216 CD GLU A 51 -0.540 -37.520 -11.250 1.00 49.09 C ATOM 217 OE1 GLU A 51 -0.041 -37.813 -10.147 1.00 50.31 O ATOM 218 OE2 GLU A 51 -0.785 -38.364 -12.126 1.00 50.97 O ATOM 219 H GLU A 51 -3.461 -35.649 -9.089 1.00 0.00 H ATOM 220 N GLY A 52 -4.866 -34.175 -12.530 1.00 41.03 N ATOM 221 CA GLY A 52 -6.224 -34.209 -13.031 1.00 40.79 C ATOM 222 C GLY A 52 -7.043 -33.076 -12.477 1.00 38.96 C ATOM 223 O GLY A 52 -8.022 -32.696 -13.095 1.00 39.26 O ATOM 224 H GLY A 52 -4.136 -33.644 -13.048 1.00 0.00 H ATOM 225 N GLY A 53 -6.650 -32.544 -11.316 1.00 37.47 N ATOM 226 CA GLY A 53 -7.293 -31.372 -10.726 1.00 35.61 C ATOM 227 C GLY A 53 -6.599 -30.106 -11.177 1.00 33.55 C ATOM 228 O GLY A 53 -6.364 -29.928 -12.364 1.00 32.93 O ATOM 229 H GLY A 53 -5.853 -32.982 -10.811 1.00 0.00 H ATOM 230 N TRP A 54 -6.262 -29.251 -10.206 1.00 32.24 N ATOM 231 CA TRP A 54 -5.530 -28.008 -10.426 1.00 31.12 C ATOM 232 C TRP A 54 -4.117 -28.274 -10.918 1.00 32.02 C ATOM 233 O TRP A 54 -3.425 -29.114 -10.363 1.00 32.82 O ATOM 234 CB TRP A 54 -5.398 -27.225 -9.101 1.00 30.12 C ATOM 235 CG TRP A 54 -6.638 -26.570 -8.529 1.00 28.93 C ATOM 236 CD1 TRP A 54 -7.383 -27.013 -7.488 1.00 29.02 C ATOM 237 CD2 TRP A 54 -7.216 -25.310 -8.926 1.00 27.62 C ATOM 238 NE1 TRP A 54 -8.403 -26.129 -7.216 1.00 28.19 N ATOM 239 CE2 TRP A 54 -8.322 -25.076 -8.089 1.00 27.26 C ATOM 240 CE3 TRP A 54 -6.922 -24.376 -9.938 1.00 26.81 C ATOM 241 CZ2 TRP A 54 -9.137 -23.946 -8.220 1.00 26.56 C ATOM 242 CZ3 TRP A 54 -7.733 -23.256 -10.058 1.00 26.22 C ATOM 243 CH2 TRP A 54 -8.816 -23.048 -9.189 1.00 26.14 C ATOM 244 HE1 TRP A 54 -9.118 -26.242 -6.470 1.00 0.00 H ATOM 245 H TRP A 54 -6.539 -29.487 -9.232 1.00 0.00 H ATOM 246 N GLU A 55 -3.667 -27.517 -11.912 1.00 32.77 N ATOM 247 CA GLU A 55 -2.360 -27.732 -12.547 1.00 34.03 C ATOM 248 C GLU A 55 -1.666 -26.412 -12.921 1.00 33.30 C ATOM 249 O GLU A 55 -2.321 -25.468 -13.338 1.00 32.22 O ATOM 250 CB GLU A 55 -2.553 -28.528 -13.829 1.00 35.87 C ATOM 251 CG GLU A 55 -3.167 -29.886 -13.613 1.00 38.09 C ATOM 252 CD GLU A 55 -3.028 -30.755 -14.835 1.00 40.67 C ATOM 253 OE1 GLU A 55 -2.861 -30.165 -15.928 1.00 41.82 O ATOM 254 OE2 GLU A 55 -3.074 -32.016 -14.712 1.00 42.88 O ATOM 255 H GLU A 55 -4.265 -26.739 -12.255 1.00 0.00 H ATOM 256 N GLU A 56 -0.344 -26.369 -12.781 1.00 33.74 N ATOM 257 CA GLU A 56 0.455 -25.213 -13.160 1.00 33.48 C ATOM 258 C GLU A 56 0.460 -25.008 -14.672 1.00 33.21 C ATOM 259 O GLU A 56 0.628 -25.949 -15.426 1.00 32.89 O ATOM 260 CB GLU A 56 1.904 -25.359 -12.675 1.00 34.78 C ATOM 261 CG GLU A 56 2.145 -24.769 -11.289 1.00 35.43 C ATOM 262 CD GLU A 56 3.530 -24.146 -11.109 1.00 36.35 C ATOM 263 OE1 GLU A 56 3.739 -22.952 -11.448 1.00 36.22 O ATOM 264 OE2 GLU A 56 4.414 -24.854 -10.589 1.00 38.14 O ATOM 265 H GLU A 56 0.141 -27.199 -12.383 1.00 0.00 H ATOM 266 N VAL A 57 0.247 -23.762 -15.106 1.00 32.95 N ATOM 267 CA VAL A 57 0.292 -23.404 -16.535 1.00 32.68 C ATOM 268 C VAL A 57 1.001 -22.062 -16.637 1.00 32.65 C ATOM 269 O VAL A 57 0.578 -21.107 -16.032 1.00 31.57 O ATOM 270 CB VAL A 57 -1.119 -23.305 -17.127 1.00 32.40 C ATOM 271 CG1 VAL A 57 -1.090 -22.852 -18.601 1.00 32.53 C ATOM 272 CG2 VAL A 57 -1.866 -24.630 -16.955 1.00 32.74 C ATOM 273 H VAL A 57 0.042 -23.017 -14.410 1.00 0.00 H ATOM 274 N SER A 58 2.090 -22.028 -17.392 1.00 34.02 N ATOM 275 CA SER A 58 2.805 -20.800 -17.726 1.00 35.13 C ATOM 276 C SER A 58 2.242 -20.054 -18.943 1.00 34.91 C ATOM 277 O SER A 58 2.260 -20.569 -20.052 1.00 35.46 O ATOM 278 CB SER A 58 4.272 -21.111 -18.050 1.00 36.53 C ATOM 279 OG SER A 58 4.927 -21.655 -16.933 1.00 37.66 O ATOM 280 HG SER A 58 4.475 -22.494 -16.663 1.00 0.00 H ATOM 281 H SER A 58 2.455 -22.926 -17.767 1.00 0.00 H ATOM 282 N ILE A 59 1.795 -18.829 -18.729 1.00 34.44 N ATOM 283 CA ILE A 59 1.520 -17.903 -19.824 1.00 34.65 C ATOM 284 C ILE A 59 2.809 -17.135 -20.101 1.00 35.64 C ATOM 285 O ILE A 59 3.360 -16.493 -19.202 1.00 35.20 O ATOM 286 CB ILE A 59 0.405 -16.885 -19.452 1.00 34.21 C ATOM 287 CG1 ILE A 59 -0.857 -17.608 -18.975 1.00 33.84 C ATOM 288 CG2 ILE A 59 0.078 -15.957 -20.618 1.00 34.36 C ATOM 289 CD1 ILE A 59 -2.074 -16.719 -18.828 1.00 33.53 C ATOM 290 H ILE A 59 1.634 -18.515 -17.751 1.00 0.00 H ATOM 291 N MET A 60 3.265 -17.165 -21.349 1.00 36.85 N ATOM 292 CA MET A 60 4.487 -16.493 -21.735 1.00 38.23 C ATOM 293 C MET A 60 4.230 -15.051 -22.169 1.00 39.02 C ATOM 294 O MET A 60 3.537 -14.794 -23.172 1.00 38.31 O ATOM 295 CB MET A 60 5.154 -17.226 -22.879 1.00 39.89 C ATOM 296 CG MET A 60 5.407 -18.693 -22.625 1.00 40.87 C ATOM 297 SD MET A 60 6.388 -19.014 -21.156 1.00 42.33 S ATOM 298 CE MET A 60 6.113 -20.775 -21.031 1.00 42.17 C ATOM 299 H MET A 60 2.727 -17.687 -22.070 1.00 0.00 H ATOM 300 N ASP A 61 4.852 -14.111 -21.449 1.00 39.50 N ATOM 301 CA ASP A 61 4.701 -12.690 -21.766 1.00 39.60 C ATOM 302 C ASP A 61 5.633 -12.218 -22.901 1.00 40.66 C ATOM 303 O ASP A 61 6.280 -13.025 -23.546 1.00 40.48 O ATOM 304 CB ASP A 61 4.784 -11.860 -20.484 1.00 39.27 C ATOM 305 CG ASP A 61 6.170 -11.709 -19.957 1.00 40.25 C ATOM 306 OD1 ASP A 61 7.182 -11.882 -20.676 1.00 40.91 O ATOM 307 OD2 ASP A 61 6.245 -11.349 -18.772 1.00 41.41 O ATOM 308 H ASP A 61 5.454 -14.395 -20.650 1.00 0.00 H ATOM 309 N GLU A 62 5.681 -10.914 -23.161 1.00 42.23 N ATOM 310 CA GLU A 62 6.421 -10.393 -24.314 1.00 43.76 C ATOM 311 C GLU A 62 7.945 -10.693 -24.249 1.00 44.17 C ATOM 312 O GLU A 62 8.563 -11.029 -25.258 1.00 45.09 O ATOM 313 CB GLU A 62 6.134 -8.888 -24.490 1.00 45.16 C ATOM 314 CG GLU A 62 6.289 -8.380 -25.925 1.00 46.82 C ATOM 315 CD GLU A 62 5.632 -7.009 -26.193 1.00 48.02 C ATOM 316 OE1 GLU A 62 5.633 -6.557 -27.366 1.00 49.14 O ATOM 317 OE2 GLU A 62 5.115 -6.366 -25.246 1.00 47.92 O ATOM 318 H GLU A 62 5.183 -10.251 -22.533 1.00 0.00 H ATOM 319 N LYS A 63 8.560 -10.581 -23.082 1.00 43.88 N ATOM 320 CA LYS A 63 9.996 -10.934 -22.966 1.00 44.72 C ATOM 321 C LYS A 63 10.244 -12.435 -22.684 1.00 43.49 C ATOM 322 O LYS A 63 11.355 -12.838 -22.321 1.00 44.28 O ATOM 323 CB LYS A 63 10.681 -10.067 -21.918 1.00 45.82 C ATOM 324 CG LYS A 63 10.619 -8.583 -22.235 1.00 47.37 C ATOM 325 CD LYS A 63 11.407 -7.741 -21.241 1.00 48.94 C ATOM 326 CE LYS A 63 10.639 -6.473 -20.894 1.00 49.51 C ATOM 327 NZ LYS A 63 11.430 -5.486 -20.105 1.00 51.10 N ATOM 328 HZ1 LYS A 63 11.730 -5.921 -19.209 1.00 0.00 H ATOM 329 HZ2 LYS A 63 12.268 -5.200 -20.650 1.00 0.00 H ATOM 330 HZ3 LYS A 63 10.842 -4.651 -19.907 1.00 0.00 H ATOM 331 H LYS A 63 8.037 -10.246 -22.248 1.00 0.00 H ATOM 332 N ASN A 64 9.201 -13.245 -22.862 1.00 40.92 N ATOM 333 CA ASN A 64 9.296 -14.688 -22.829 1.00 39.94 C ATOM 334 C ASN A 64 9.575 -15.232 -21.438 1.00 39.36 C ATOM 335 O ASN A 64 10.348 -16.162 -21.248 1.00 39.59 O ATOM 336 CB ASN A 64 10.313 -15.189 -23.853 1.00 41.02 C ATOM 337 CG ASN A 64 10.185 -16.683 -24.125 1.00 40.32 C ATOM 338 OD1 ASN A 64 9.098 -17.263 -24.043 1.00 39.21 O ATOM 339 ND2 ASN A 64 11.305 -17.307 -24.433 1.00 41.12 N ATOM 340 HD22 ASN A 64 12.197 -16.776 -24.490 1.00 0.00 H ATOM 341 HD21 ASN A 64 11.296 -18.330 -24.619 1.00 0.00 H ATOM 342 H ASN A 64 8.269 -12.817 -23.034 1.00 0.00 H ATOM 343 N THR A 65 8.855 -14.657 -20.488 1.00 38.64 N ATOM 344 CA THR A 65 8.984 -14.924 -19.096 1.00 38.22 C ATOM 345 C THR A 65 7.626 -15.366 -18.599 1.00 37.04 C ATOM 346 O THR A 65 6.635 -14.648 -18.794 1.00 36.44 O ATOM 347 CB THR A 65 9.382 -13.639 -18.364 1.00 39.00 C ATOM 348 OG1 THR A 65 10.753 -13.338 -18.668 1.00 40.93 O ATOM 349 CG2 THR A 65 9.213 -13.775 -16.868 1.00 38.33 C ATOM 350 HG1 THR A 65 11.019 -12.508 -18.199 1.00 0.00 H ATOM 351 H THR A 65 8.142 -13.958 -20.780 1.00 0.00 H ATOM 352 N PRO A 66 7.579 -16.530 -17.920 1.00 36.51 N ATOM 353 CA PRO A 66 6.349 -17.161 -17.504 1.00 35.17 C ATOM 354 C PRO A 66 5.600 -16.439 -16.414 1.00 34.31 C ATOM 355 O PRO A 66 6.208 -15.840 -15.534 1.00 35.73 O ATOM 356 CB PRO A 66 6.814 -18.539 -17.002 1.00 35.97 C ATOM 357 CG PRO A 66 8.225 -18.360 -16.614 1.00 36.75 C ATOM 358 CD PRO A 66 8.761 -17.339 -17.562 1.00 37.25 C ATOM 359 N ILE A 67 4.277 -16.443 -16.533 1.00 33.11 N ATOM 360 CA ILE A 67 3.363 -16.013 -15.506 1.00 32.01 C ATOM 361 C ILE A 67 2.782 -17.325 -15.042 1.00 32.00 C ATOM 362 O ILE A 67 2.294 -18.136 -15.866 1.00 32.02 O ATOM 363 CB ILE A 67 2.225 -15.149 -16.058 1.00 31.49 C ATOM 364 CG1 ILE A 67 2.793 -13.881 -16.706 1.00 31.99 C ATOM 365 CG2 ILE A 67 1.224 -14.802 -14.959 1.00 30.66 C ATOM 366 CD1 ILE A 67 1.775 -13.074 -17.472 1.00 31.57 C ATOM 367 H ILE A 67 3.873 -16.780 -17.430 1.00 0.00 H ATOM 368 N ARG A 68 2.846 -17.567 -13.742 1.00 31.69 N ATOM 369 CA ARG A 68 2.572 -18.895 -13.254 1.00 31.70 C ATOM 370 C ARG A 68 1.137 -18.907 -12.778 1.00 30.15 C ATOM 371 O ARG A 68 0.792 -18.214 -11.820 1.00 29.95 O ATOM 372 CB ARG A 68 3.542 -19.281 -12.141 1.00 32.92 C ATOM 373 CG ARG A 68 5.007 -19.191 -12.534 1.00 34.52 C ATOM 374 CD ARG A 68 5.465 -20.433 -13.267 1.00 36.17 C ATOM 375 NE ARG A 68 6.902 -20.417 -13.575 1.00 38.01 N ATOM 376 CZ ARG A 68 7.582 -21.438 -14.100 1.00 39.51 C ATOM 377 NH1 ARG A 68 6.975 -22.591 -14.395 1.00 39.89 N ATOM 378 NH2 ARG A 68 8.883 -21.309 -14.345 1.00 40.83 N ATOM 379 HE ARG A 68 7.428 -19.544 -13.368 1.00 0.00 H ATOM 380 HH12 ARG A 68 7.521 -23.376 -14.804 1.00 0.00 H ATOM 381 HH11 ARG A 68 5.957 -22.703 -14.216 1.00 0.00 H ATOM 382 HH22 ARG A 68 9.416 -22.103 -14.754 1.00 0.00 H ATOM 383 HH21 ARG A 68 9.367 -20.415 -14.127 1.00 0.00 H ATOM 384 H ARG A 68 3.092 -16.805 -13.078 1.00 0.00 H ATOM 385 N THR A 69 0.314 -19.704 -13.458 1.00 28.87 N ATOM 386 CA THR A 69 -1.121 -19.786 -13.188 1.00 27.88 C ATOM 387 C THR A 69 -1.489 -21.177 -12.671 1.00 27.90 C ATOM 388 O THR A 69 -0.680 -22.102 -12.737 1.00 28.41 O ATOM 389 CB THR A 69 -1.917 -19.449 -14.472 1.00 27.46 C ATOM 390 OG1 THR A 69 -1.799 -20.508 -15.448 1.00 27.56 O ATOM 391 CG2 THR A 69 -1.350 -18.125 -15.076 1.00 27.41 C ATOM 392 HG1 THR A 69 -0.846 -20.630 -15.688 1.00 0.00 H ATOM 393 H THR A 69 0.710 -20.295 -14.216 1.00 0.00 H ATOM 394 N TYR A 70 -2.683 -21.280 -12.098 1.00 27.16 N ATOM 395 CA TYR A 70 -3.286 -22.556 -11.798 1.00 27.36 C ATOM 396 C TYR A 70 -4.643 -22.627 -12.473 1.00 26.77 C ATOM 397 O TYR A 70 -5.417 -21.679 -12.412 1.00 26.06 O ATOM 398 CB TYR A 70 -3.417 -22.794 -10.282 1.00 27.41 C ATOM 399 CG TYR A 70 -2.214 -23.522 -9.692 1.00 28.10 C ATOM 400 CD1 TYR A 70 -2.078 -24.913 -9.780 1.00 28.76 C ATOM 401 CD2 TYR A 70 -1.194 -22.802 -9.052 1.00 28.02 C ATOM 402 CE1 TYR A 70 -0.948 -25.551 -9.241 1.00 29.48 C ATOM 403 CE2 TYR A 70 -0.087 -23.412 -8.543 1.00 28.25 C ATOM 404 CZ TYR A 70 0.043 -24.771 -8.611 1.00 29.32 C ATOM 405 OH TYR A 70 1.182 -25.311 -8.042 1.00 30.01 O ATOM 406 HH TYR A 70 1.169 -26.295 -8.150 1.00 0.00 H ATOM 407 H TYR A 70 -3.201 -20.411 -11.857 1.00 0.00 H ATOM 408 N GLN A 71 -4.935 -23.759 -13.106 1.00 27.20 N ATOM 409 CA GLN A 71 -6.211 -23.899 -13.858 1.00 27.47 C ATOM 410 C GLN A 71 -6.780 -25.289 -13.737 1.00 28.44 C ATOM 411 O GLN A 71 -6.061 -26.263 -13.533 1.00 28.87 O ATOM 412 CB GLN A 71 -6.046 -23.563 -15.360 1.00 27.14 C ATOM 413 CG GLN A 71 -4.980 -22.545 -15.660 1.00 26.76 C ATOM 414 CD GLN A 71 -4.862 -22.176 -17.123 1.00 27.00 C ATOM 415 OE1 GLN A 71 -5.543 -22.700 -17.970 1.00 27.19 O ATOM 416 NE2 GLN A 71 -3.993 -21.240 -17.411 1.00 27.04 N ATOM 417 HE22 GLN A 71 -3.422 -20.810 -16.655 1.00 0.00 H ATOM 418 HE21 GLN A 71 -3.873 -20.927 -18.395 1.00 0.00 H ATOM 419 H GLN A 71 -4.265 -24.554 -13.075 1.00 0.00 H ATOM 420 N VAL A 72 -8.093 -25.356 -13.845 1.00 29.36 N ATOM 421 CA VAL A 72 -8.790 -26.618 -13.920 1.00 31.16 C ATOM 422 C VAL A 72 -10.084 -26.413 -14.691 1.00 31.98 C ATOM 423 O VAL A 72 -10.744 -25.412 -14.537 1.00 30.94 O ATOM 424 CB VAL A 72 -9.039 -27.253 -12.521 1.00 31.82 C ATOM 425 CG1 VAL A 72 -9.529 -26.232 -11.499 1.00 31.08 C ATOM 426 CG2 VAL A 72 -10.008 -28.438 -12.629 1.00 33.16 C ATOM 427 H VAL A 72 -8.642 -24.474 -13.877 1.00 0.00 H ATOM 428 N CYS A 73 -10.402 -27.396 -15.527 1.00 34.29 N ATOM 429 CA CYS A 73 -11.497 -27.339 -16.476 1.00 35.65 C ATOM 430 C CYS A 73 -12.036 -28.739 -16.763 1.00 37.78 C ATOM 431 O CYS A 73 -12.164 -29.160 -17.936 1.00 38.38 O ATOM 432 CB CYS A 73 -11.035 -26.680 -17.775 1.00 35.48 C ATOM 433 SG CYS A 73 -12.414 -26.143 -18.810 1.00 36.82 S ATOM 434 H CYS A 73 -9.828 -28.263 -15.499 1.00 0.00 H ATOM 435 N ASN A 74 -12.360 -29.451 -15.685 1.00 38.60 N ATOM 436 CA ASN A 74 -13.080 -30.707 -15.791 1.00 40.60 C ATOM 437 C ASN A 74 -14.571 -30.406 -15.705 1.00 41.85 C ATOM 438 O ASN A 74 -15.227 -30.771 -14.727 1.00 42.43 O ATOM 439 CB ASN A 74 -12.701 -31.662 -14.659 1.00 40.98 C ATOM 440 CG ASN A 74 -11.202 -31.872 -14.518 1.00 40.11 C ATOM 441 OD1 ASN A 74 -10.441 -31.803 -15.470 1.00 40.06 O ATOM 442 ND2 ASN A 74 -10.784 -32.141 -13.306 1.00 40.30 N ATOM 443 HD22 ASN A 74 -11.464 -32.191 -12.521 1.00 0.00 H ATOM 444 HD21 ASN A 74 -9.772 -32.304 -13.129 1.00 0.00 H ATOM 445 H ASN A 74 -12.091 -29.098 -14.744 1.00 0.00 H ATOM 446 N VAL A 75 -15.105 -29.727 -16.713 1.00 42.35 N ATOM 447 CA VAL A 75 -16.532 -29.341 -16.704 1.00 43.99 C ATOM 448 C VAL A 75 -17.453 -30.482 -17.189 1.00 47.59 C ATOM 449 O VAL A 75 -18.656 -30.501 -16.910 1.00 48.44 O ATOM 450 CB VAL A 75 -16.784 -28.059 -17.542 1.00 42.66 C ATOM 451 CG1 VAL A 75 -16.226 -26.832 -16.832 1.00 40.84 C ATOM 452 CG2 VAL A 75 -16.174 -28.184 -18.933 1.00 42.66 C ATOM 453 H VAL A 75 -14.509 -29.462 -17.523 1.00 0.00 H ATOM 454 N MET A 76 -16.880 -31.429 -17.918 1.00 50.33 N ATOM 455 CA MET A 76 -17.627 -32.586 -18.377 1.00 54.41 C ATOM 456 C MET A 76 -17.816 -33.658 -17.296 1.00 55.92 C ATOM 457 O MET A 76 -18.770 -34.425 -17.393 1.00 58.17 O ATOM 458 CB MET A 76 -16.950 -33.202 -19.615 1.00 56.22 C ATOM 459 CG MET A 76 -16.964 -32.292 -20.848 1.00 56.63 C ATOM 460 SD MET A 76 -18.557 -32.328 -21.702 1.00 60.05 S ATOM 461 CE MET A 76 -18.298 -33.648 -22.898 1.00 61.08 C ATOM 462 H MET A 76 -15.874 -31.341 -18.166 1.00 0.00 H ATOM 463 N GLU A 77 -16.945 -33.727 -16.280 1.00 55.20 N ATOM 464 CA GLU A 77 -17.088 -34.752 -15.224 1.00 57.06 C ATOM 465 C GLU A 77 -17.811 -34.272 -13.972 1.00 56.70 C ATOM 466 O GLU A 77 -17.536 -33.182 -13.466 1.00 56.31 O ATOM 467 CB GLU A 77 -15.742 -35.312 -14.781 1.00 57.68 C ATOM 468 CG GLU A 77 -15.089 -36.253 -15.771 1.00 59.69 C ATOM 469 CD GLU A 77 -14.319 -35.492 -16.818 1.00 59.67 C ATOM 470 OE1 GLU A 77 -13.902 -34.346 -16.516 1.00 58.66 O ATOM 471 OE2 GLU A 77 -14.134 -36.035 -17.930 1.00 61.31 O ATOM 472 H GLU A 77 -16.157 -33.050 -16.234 1.00 0.00 H ATOM 473 N PRO A 78 -18.697 -35.116 -13.424 1.00 58.07 N ATOM 474 CA PRO A 78 -19.517 -34.688 -12.297 1.00 57.71 C ATOM 475 C PRO A 78 -18.726 -34.653 -10.992 1.00 55.92 C ATOM 476 O PRO A 78 -17.577 -35.100 -10.948 1.00 55.77 O ATOM 477 CB PRO A 78 -20.611 -35.765 -12.245 1.00 60.31 C ATOM 478 CG PRO A 78 -19.912 -36.998 -12.703 1.00 61.51 C ATOM 479 CD PRO A 78 -18.883 -36.550 -13.717 1.00 60.40 C ATOM 480 N SER A 79 -19.355 -34.113 -9.948 1.00 54.39 N ATOM 481 CA SER A 79 -18.758 -34.001 -8.616 1.00 51.98 C ATOM 482 C SER A 79 -17.254 -33.775 -8.660 1.00 48.83 C ATOM 483 O SER A 79 -16.461 -34.642 -8.309 1.00 48.99 O ATOM 484 CB SER A 79 -19.050 -35.259 -7.826 1.00 53.84 C ATOM 485 OG SER A 79 -18.381 -36.341 -8.436 1.00 55.07 O ATOM 486 HG SER A 79 -17.407 -36.165 -8.441 1.00 0.00 H ATOM 487 H SER A 79 -20.320 -33.752 -10.087 1.00 0.00 H ATOM 488 N GLN A 80 -16.861 -32.611 -9.129 1.00 45.99 N ATOM 489 CA GLN A 80 -15.490 -32.168 -8.930 1.00 43.66 C ATOM 490 C GLN A 80 -15.347 -31.599 -7.521 1.00 41.74 C ATOM 491 O GLN A 80 -16.286 -31.055 -6.952 1.00 41.73 O ATOM 492 CB GLN A 80 -15.075 -31.163 -9.995 1.00 42.12 C ATOM 493 CG GLN A 80 -14.954 -31.782 -11.373 1.00 42.35 C ATOM 494 CD GLN A 80 -13.866 -32.841 -11.460 1.00 43.08 C ATOM 495 OE1 GLN A 80 -12.704 -32.581 -11.159 1.00 41.18 O ATOM 496 NE2 GLN A 80 -14.249 -34.066 -11.893 1.00 45.19 N ATOM 497 HE22 GLN A 80 -15.244 -34.243 -12.138 1.00 0.00 H ATOM 498 HE21 GLN A 80 -13.548 -34.829 -11.981 1.00 0.00 H ATOM 499 H GLN A 80 -17.532 -32.006 -9.643 1.00 0.00 H ATOM 500 N ASN A 81 -14.183 -31.810 -6.941 1.00 40.42 N ATOM 501 CA ASN A 81 -13.869 -31.289 -5.626 1.00 39.38 C ATOM 502 C ASN A 81 -12.345 -31.190 -5.544 1.00 38.27 C ATOM 503 O ASN A 81 -11.682 -32.024 -4.935 1.00 39.34 O ATOM 504 CB ASN A 81 -14.470 -32.191 -4.554 1.00 40.61 C ATOM 505 CG ASN A 81 -14.041 -31.808 -3.159 1.00 40.69 C ATOM 506 OD1 ASN A 81 -13.924 -30.622 -2.820 1.00 39.54 O ATOM 507 ND2 ASN A 81 -13.775 -32.816 -2.334 1.00 42.44 N ATOM 508 HD22 ASN A 81 -13.887 -33.798 -2.659 1.00 0.00 H ATOM 509 HD21 ASN A 81 -13.455 -32.623 -1.363 1.00 0.00 H ATOM 510 H ASN A 81 -13.465 -32.370 -7.444 1.00 0.00 H ATOM 511 N ASN A 82 -11.804 -30.185 -6.223 1.00 36.42 N ATOM 512 CA ASN A 82 -10.372 -30.035 -6.408 1.00 35.78 C ATOM 513 C ASN A 82 -9.835 -28.954 -5.496 1.00 34.52 C ATOM 514 O ASN A 82 -10.323 -27.818 -5.506 1.00 34.00 O ATOM 515 CB ASN A 82 -10.051 -29.695 -7.863 1.00 35.24 C ATOM 516 CG ASN A 82 -10.437 -30.823 -8.798 1.00 36.84 C ATOM 517 OD1 ASN A 82 -9.907 -31.929 -8.674 1.00 38.41 O ATOM 518 ND2 ASN A 82 -11.409 -30.582 -9.693 1.00 36.66 N ATOM 519 HD22 ASN A 82 -11.828 -29.633 -9.763 1.00 0.00 H ATOM 520 HD21 ASN A 82 -11.743 -31.345 -10.316 1.00 0.00 H ATOM 521 H ASN A 82 -12.435 -29.472 -6.642 1.00 0.00 H ATOM 522 N TRP A 83 -8.822 -29.287 -4.718 1.00 33.81 N ATOM 523 CA TRP A 83 -8.284 -28.288 -3.838 1.00 33.25 C ATOM 524 C TRP A 83 -6.878 -27.905 -4.263 1.00 32.87 C ATOM 525 O TRP A 83 -6.148 -28.692 -4.871 1.00 33.57 O ATOM 526 CB TRP A 83 -8.338 -28.764 -2.396 1.00 33.90 C ATOM 527 CG TRP A 83 -9.735 -28.805 -1.839 1.00 33.85 C ATOM 528 CD1 TRP A 83 -10.740 -29.665 -2.193 1.00 34.91 C ATOM 529 CD2 TRP A 83 -10.272 -27.958 -0.830 1.00 33.35 C ATOM 530 NE1 TRP A 83 -11.870 -29.403 -1.458 1.00 34.92 N ATOM 531 CE2 TRP A 83 -11.610 -28.360 -0.613 1.00 33.96 C ATOM 532 CE3 TRP A 83 -9.753 -26.879 -0.086 1.00 32.71 C ATOM 533 CZ2 TRP A 83 -12.434 -27.747 0.328 1.00 33.99 C ATOM 534 CZ3 TRP A 83 -10.578 -26.249 0.843 1.00 32.53 C ATOM 535 CH2 TRP A 83 -11.912 -26.686 1.039 1.00 33.23 C ATOM 536 HE1 TRP A 83 -12.773 -29.913 -1.532 1.00 0.00 H ATOM 537 H TRP A 83 -8.424 -30.248 -4.742 1.00 0.00 H ATOM 538 N LEU A 84 -6.542 -26.656 -3.987 1.00 31.81 N ATOM 539 CA LEU A 84 -5.209 -26.128 -4.200 1.00 31.78 C ATOM 540 C LEU A 84 -4.926 -25.269 -2.981 1.00 31.87 C ATOM 541 O LEU A 84 -5.780 -24.479 -2.566 1.00 30.97 O ATOM 542 CB LEU A 84 -5.162 -25.289 -5.492 1.00 30.95 C ATOM 543 CG LEU A 84 -3.908 -24.447 -5.795 1.00 30.51 C ATOM 544 CD1 LEU A 84 -2.750 -25.347 -6.213 1.00 31.06 C ATOM 545 CD2 LEU A 84 -4.205 -23.416 -6.874 1.00 29.44 C ATOM 546 H LEU A 84 -7.269 -26.022 -3.598 1.00 0.00 H ATOM 547 N ARG A 85 -3.751 -25.441 -2.394 1.00 33.33 N ATOM 548 CA ARG A 85 -3.327 -24.602 -1.264 1.00 33.77 C ATOM 549 C ARG A 85 -1.957 -23.976 -1.469 1.00 33.18 C ATOM 550 O ARG A 85 -1.029 -24.622 -1.934 1.00 32.90 O ATOM 551 CB ARG A 85 -3.378 -25.399 0.031 1.00 35.69 C ATOM 552 CG ARG A 85 -2.219 -25.148 0.977 1.00 37.35 C ATOM 553 CD ARG A 85 -2.375 -25.829 2.320 1.00 38.91 C ATOM 554 NE ARG A 85 -1.641 -27.094 2.425 1.00 41.16 N ATOM 555 CZ ARG A 85 -0.306 -27.225 2.440 1.00 42.08 C ATOM 556 NH1 ARG A 85 0.514 -26.178 2.310 1.00 41.01 N ATOM 557 NH2 ARG A 85 0.212 -28.446 2.555 1.00 43.58 N ATOM 558 HE ARG A 85 -2.204 -27.965 2.494 1.00 0.00 H ATOM 559 HH12 ARG A 85 1.544 -26.319 2.327 1.00 0.00 H ATOM 560 HH11 ARG A 85 0.122 -25.222 2.192 1.00 0.00 H ATOM 561 HH22 ARG A 85 1.244 -28.574 2.569 1.00 0.00 H ATOM 562 HH21 ARG A 85 -0.415 -29.272 2.631 1.00 0.00 H ATOM 563 H ARG A 85 -3.114 -26.187 -2.741 1.00 0.00 H ATOM 564 N THR A 86 -1.857 -22.700 -1.101 1.00 32.95 N ATOM 565 CA THR A 86 -0.577 -21.964 -1.075 1.00 33.28 C ATOM 566 C THR A 86 0.407 -22.536 -0.059 1.00 34.57 C ATOM 567 O THR A 86 0.030 -23.304 0.819 1.00 34.07 O ATOM 568 CB THR A 86 -0.790 -20.497 -0.684 1.00 32.58 C ATOM 569 OG1 THR A 86 -1.525 -20.427 0.550 1.00 32.65 O ATOM 570 CG2 THR A 86 -1.552 -19.776 -1.769 1.00 31.83 C ATOM 571 HG1 THR A 86 -2.404 -20.868 0.435 1.00 0.00 H ATOM 572 H THR A 86 -2.722 -22.197 -0.818 1.00 0.00 H ATOM 573 N ASP A 87 1.675 -22.149 -0.177 1.00 35.70 N ATOM 574 CA ASP A 87 2.606 -22.368 0.926 1.00 37.54 C ATOM 575 C ASP A 87 2.179 -21.526 2.125 1.00 36.47 C ATOM 576 O ASP A 87 1.367 -20.616 1.997 1.00 34.95 O ATOM 577 CB ASP A 87 4.044 -22.024 0.536 1.00 39.19 C ATOM 578 CG ASP A 87 4.568 -22.940 -0.504 1.00 40.44 C ATOM 579 OD1 ASP A 87 4.258 -24.145 -0.387 1.00 41.59 O ATOM 580 OD2 ASP A 87 5.278 -22.476 -1.428 1.00 41.51 O ATOM 581 H ASP A 87 2.002 -21.692 -1.052 1.00 0.00 H ATOM 582 N TRP A 88 2.711 -21.873 3.286 1.00 37.10 N ATOM 583 CA TRP A 88 2.479 -21.110 4.507 1.00 37.03 C ATOM 584 C TRP A 88 2.859 -19.664 4.270 1.00 36.10 C ATOM 585 O TRP A 88 3.923 -19.380 3.748 1.00 36.35 O ATOM 586 CB TRP A 88 3.302 -21.687 5.643 1.00 38.63 C ATOM 587 CG TRP A 88 3.065 -21.026 6.946 1.00 39.34 C ATOM 588 CD1 TRP A 88 2.056 -21.271 7.809 1.00 39.24 C ATOM 589 CD2 TRP A 88 3.885 -20.012 7.552 1.00 40.11 C ATOM 590 NE1 TRP A 88 2.182 -20.467 8.922 1.00 40.01 N ATOM 591 CE2 TRP A 88 3.301 -19.689 8.786 1.00 40.60 C ATOM 592 CE3 TRP A 88 5.038 -19.333 7.151 1.00 40.79 C ATOM 593 CZ2 TRP A 88 3.838 -18.711 9.645 1.00 41.86 C ATOM 594 CZ3 TRP A 88 5.578 -18.359 7.997 1.00 42.11 C ATOM 595 CH2 TRP A 88 4.980 -18.060 9.235 1.00 42.35 C ATOM 596 HE1 TRP A 88 1.532 -20.453 9.734 1.00 0.00 H ATOM 597 H TRP A 88 3.315 -22.719 3.329 1.00 0.00 H ATOM 598 N ILE A 89 1.944 -18.771 4.602 1.00 35.34 N ATOM 599 CA ILE A 89 2.151 -17.326 4.468 1.00 35.26 C ATOM 600 C ILE A 89 2.098 -16.703 5.878 1.00 35.80 C ATOM 601 O ILE A 89 1.092 -16.881 6.585 1.00 34.82 O ATOM 602 CB ILE A 89 1.045 -16.682 3.628 1.00 33.71 C ATOM 603 CG1 ILE A 89 0.999 -17.276 2.227 1.00 33.60 C ATOM 604 CG2 ILE A 89 1.248 -15.193 3.518 1.00 33.74 C ATOM 605 CD1 ILE A 89 -0.389 -17.254 1.626 1.00 32.53 C ATOM 606 H ILE A 89 1.034 -19.109 4.976 1.00 0.00 H ATOM 607 N THR A 90 3.183 -16.007 6.262 1.00 36.65 N ATOM 608 CA THR A 90 3.260 -15.242 7.518 1.00 37.49 C ATOM 609 C THR A 90 2.345 -14.033 7.491 1.00 37.20 C ATOM 610 O THR A 90 2.196 -13.405 6.457 1.00 36.72 O ATOM 611 CB THR A 90 4.675 -14.661 7.758 1.00 38.76 C ATOM 612 OG1 THR A 90 4.719 -14.041 9.056 1.00 39.45 O ATOM 613 CG2 THR A 90 5.053 -13.595 6.672 1.00 38.24 C ATOM 614 HG1 THR A 90 5.623 -13.669 9.212 1.00 0.00 H ATOM 615 H THR A 90 4.014 -16.009 5.637 1.00 0.00 H ATOM 616 N ARG A 91 1.769 -13.662 8.621 1.00 38.11 N ATOM 617 CA ARG A 91 1.043 -12.395 8.652 1.00 38.77 C ATOM 618 C ARG A 91 1.863 -11.207 9.227 1.00 40.61 C ATOM 619 O ARG A 91 1.332 -10.144 9.455 1.00 40.41 O ATOM 620 CB ARG A 91 -0.278 -12.558 9.401 1.00 38.01 C ATOM 621 CG ARG A 91 -0.141 -12.471 10.900 1.00 38.83 C ATOM 622 CD ARG A 91 -1.392 -12.964 11.574 1.00 38.17 C ATOM 623 NE ARG A 91 -1.110 -13.257 12.959 1.00 39.40 N ATOM 624 CZ ARG A 91 -0.940 -12.335 13.901 1.00 40.69 C ATOM 625 NH1 ARG A 91 -1.060 -11.041 13.605 1.00 40.98 N ATOM 626 NH2 ARG A 91 -0.664 -12.704 15.152 1.00 41.49 N ATOM 627 HE ARG A 91 -1.035 -14.256 13.238 1.00 0.00 H ATOM 628 HH12 ARG A 91 -0.926 -10.323 14.346 1.00 0.00 H ATOM 629 HH11 ARG A 91 -1.288 -10.749 12.633 1.00 0.00 H ATOM 630 HH22 ARG A 91 -0.531 -11.983 15.889 1.00 0.00 H ATOM 631 HH21 ARG A 91 -0.582 -13.713 15.390 1.00 0.00 H ATOM 632 H ARG A 91 1.831 -14.259 9.470 1.00 0.00 H ATOM 633 N GLU A 92 3.159 -11.382 9.415 1.00 43.38 N ATOM 634 CA GLU A 92 3.958 -10.405 10.143 1.00 46.16 C ATOM 635 C GLU A 92 3.129 -9.839 11.315 1.00 46.42 C ATOM 636 O GLU A 92 2.597 -10.608 12.122 1.00 46.68 O ATOM 637 CB GLU A 92 4.469 -9.341 9.185 1.00 47.47 C ATOM 638 CG GLU A 92 5.138 -9.973 7.976 1.00 48.31 C ATOM 639 CD GLU A 92 6.225 -9.114 7.363 1.00 50.97 C ATOM 640 OE1 GLU A 92 6.010 -7.881 7.206 1.00 52.24 O ATOM 641 OE2 GLU A 92 7.309 -9.681 7.063 1.00 52.38 O ATOM 642 H GLU A 92 3.618 -12.235 9.036 1.00 0.00 H ATOM 643 N GLY A 93 2.962 -8.532 11.416 1.00 46.15 N ATOM 644 CA GLY A 93 2.262 -7.991 12.585 1.00 46.30 C ATOM 645 C GLY A 93 0.754 -7.941 12.433 1.00 43.91 C ATOM 646 O GLY A 93 0.022 -7.673 13.391 1.00 44.73 O ATOM 647 H GLY A 93 3.322 -7.896 10.676 1.00 0.00 H ATOM 648 N ALA A 94 0.295 -8.242 11.232 1.00 41.08 N ATOM 649 CA ALA A 94 -0.977 -7.763 10.734 1.00 38.50 C ATOM 650 C ALA A 94 -2.082 -8.620 11.271 1.00 36.76 C ATOM 651 O ALA A 94 -1.973 -9.839 11.216 1.00 36.35 O ATOM 652 CB ALA A 94 -0.957 -7.807 9.209 1.00 37.23 C ATOM 653 H ALA A 94 0.873 -8.850 10.617 1.00 0.00 H ATOM 654 N GLN A 95 -3.140 -7.993 11.796 1.00 35.60 N ATOM 655 CA GLN A 95 -4.376 -8.736 12.148 1.00 34.31 C ATOM 656 C GLN A 95 -5.351 -8.926 10.955 1.00 32.26 C ATOM 657 O GLN A 95 -6.152 -9.826 10.980 1.00 31.20 O ATOM 658 CB GLN A 95 -5.121 -8.096 13.318 1.00 34.81 C ATOM 659 CG GLN A 95 -4.597 -8.481 14.703 1.00 36.05 C ATOM 660 CD GLN A 95 -5.380 -7.795 15.823 1.00 36.69 C ATOM 661 OE1 GLN A 95 -6.622 -7.893 15.902 1.00 36.09 O ATOM 662 NE2 GLN A 95 -4.670 -7.062 16.665 1.00 37.89 N ATOM 663 HE22 GLN A 95 -3.636 -7.008 16.563 1.00 0.00 H ATOM 664 HE21 GLN A 95 -5.145 -6.540 17.429 1.00 0.00 H ATOM 665 H GLN A 95 -3.096 -6.967 11.961 1.00 0.00 H ATOM 666 N ARG A 96 -5.253 -8.083 9.934 1.00 31.48 N ATOM 667 CA ARG A 96 -6.178 -8.076 8.814 1.00 30.40 C ATOM 668 C ARG A 96 -5.355 -8.120 7.549 1.00 29.70 C ATOM 669 O ARG A 96 -4.433 -7.342 7.403 1.00 30.22 O ATOM 670 CB ARG A 96 -7.039 -6.796 8.868 1.00 30.77 C ATOM 671 CG ARG A 96 -8.100 -6.684 7.764 1.00 30.11 C ATOM 672 CD ARG A 96 -9.363 -5.947 8.193 1.00 30.47 C ATOM 673 NE ARG A 96 -9.942 -6.513 9.410 1.00 30.85 N ATOM 674 CZ ARG A 96 -10.746 -7.571 9.470 1.00 30.36 C ATOM 675 NH1 ARG A 96 -11.132 -8.182 8.356 1.00 30.20 N ATOM 676 NH2 ARG A 96 -11.180 -8.015 10.650 1.00 30.58 N ATOM 677 HE ARG A 96 -9.704 -6.047 10.309 1.00 0.00 H ATOM 678 HH12 ARG A 96 -11.761 -9.009 8.408 1.00 0.00 H ATOM 679 HH11 ARG A 96 -10.806 -7.834 7.432 1.00 0.00 H ATOM 680 HH22 ARG A 96 -11.809 -8.842 10.695 1.00 0.00 H ATOM 681 HH21 ARG A 96 -10.890 -7.534 11.525 1.00 0.00 H ATOM 682 H ARG A 96 -4.475 -7.393 9.936 1.00 0.00 H ATOM 683 N VAL A 97 -5.645 -9.059 6.657 1.00 28.93 N ATOM 684 CA VAL A 97 -4.919 -9.156 5.354 1.00 28.31 C ATOM 685 C VAL A 97 -5.894 -9.147 4.194 1.00 27.47 C ATOM 686 O VAL A 97 -7.043 -9.527 4.348 1.00 26.96 O ATOM 687 CB VAL A 97 -4.052 -10.419 5.199 1.00 28.18 C ATOM 688 CG1 VAL A 97 -3.004 -10.479 6.309 1.00 29.41 C ATOM 689 CG2 VAL A 97 -4.899 -11.665 5.209 1.00 27.64 C ATOM 690 H VAL A 97 -6.397 -9.745 6.870 1.00 0.00 H ATOM 691 N TYR A 98 -5.399 -8.707 3.042 1.00 27.25 N ATOM 692 CA TYR A 98 -6.211 -8.460 1.890 1.00 26.87 C ATOM 693 C TYR A 98 -5.714 -9.409 0.843 1.00 26.34 C ATOM 694 O TYR A 98 -4.501 -9.476 0.634 1.00 26.72 O ATOM 695 CB TYR A 98 -6.096 -7.003 1.436 1.00 27.31 C ATOM 696 CG TYR A 98 -6.599 -6.079 2.486 1.00 28.14 C ATOM 697 CD1 TYR A 98 -7.959 -5.829 2.617 1.00 28.21 C ATOM 698 CD2 TYR A 98 -5.736 -5.474 3.388 1.00 28.80 C ATOM 699 CE1 TYR A 98 -8.451 -5.020 3.634 1.00 28.64 C ATOM 700 CE2 TYR A 98 -6.229 -4.651 4.384 1.00 29.57 C ATOM 701 CZ TYR A 98 -7.591 -4.418 4.496 1.00 29.45 C ATOM 702 OH TYR A 98 -8.099 -3.583 5.498 1.00 30.27 O ATOM 703 HH TYR A 98 -9.085 -3.538 5.420 1.00 0.00 H ATOM 704 H TYR A 98 -4.376 -8.534 2.975 1.00 0.00 H ATOM 705 N ILE A 99 -6.643 -10.156 0.230 1.00 25.73 N ATOM 706 CA ILE A 99 -6.333 -11.142 -0.830 1.00 25.42 C ATOM 707 C ILE A 99 -6.936 -10.671 -2.148 1.00 25.92 C ATOM 708 O ILE A 99 -8.147 -10.489 -2.251 1.00 25.34 O ATOM 709 CB ILE A 99 -6.964 -12.496 -0.531 1.00 24.75 C ATOM 710 CG1 ILE A 99 -6.457 -13.026 0.800 1.00 25.02 C ATOM 711 CG2 ILE A 99 -6.670 -13.498 -1.637 1.00 24.51 C ATOM 712 CD1 ILE A 99 -7.535 -13.724 1.596 1.00 24.93 C ATOM 713 H ILE A 99 -7.636 -10.036 0.515 1.00 0.00 H ATOM 714 N GLU A 100 -6.085 -10.462 -3.133 1.00 26.95 N ATOM 715 CA GLU A 100 -6.516 -9.938 -4.410 1.00 28.51 C ATOM 716 C GLU A 100 -6.316 -10.987 -5.505 1.00 27.86 C ATOM 717 O GLU A 100 -5.196 -11.319 -5.874 1.00 27.59 O ATOM 718 CB GLU A 100 -5.747 -8.644 -4.743 1.00 30.24 C ATOM 719 CG GLU A 100 -6.120 -8.064 -6.076 1.00 31.71 C ATOM 720 CD GLU A 100 -5.358 -6.794 -6.408 1.00 33.99 C ATOM 721 OE1 GLU A 100 -5.466 -5.800 -5.639 1.00 35.42 O ATOM 722 OE2 GLU A 100 -4.679 -6.787 -7.472 1.00 35.33 O ATOM 723 H GLU A 100 -5.078 -10.679 -2.988 1.00 0.00 H ATOM 724 N ILE A 101 -7.409 -11.509 -6.032 1.00 27.81 N ATOM 725 CA ILE A 101 -7.291 -12.576 -7.032 1.00 27.56 C ATOM 726 C ILE A 101 -7.641 -12.040 -8.411 1.00 27.76 C ATOM 727 O ILE A 101 -8.679 -11.352 -8.603 1.00 27.66 O ATOM 728 CB ILE A 101 -8.113 -13.797 -6.648 1.00 27.40 C ATOM 729 CG1 ILE A 101 -7.674 -14.279 -5.266 1.00 27.50 C ATOM 730 CG2 ILE A 101 -7.880 -14.935 -7.651 1.00 27.68 C ATOM 731 CD1 ILE A 101 -8.742 -14.998 -4.479 1.00 27.60 C ATOM 732 H ILE A 101 -8.346 -11.166 -5.740 1.00 0.00 H ATOM 733 N LYS A 102 -6.736 -12.309 -9.342 1.00 27.85 N ATOM 734 CA LYS A 102 -6.956 -12.017 -10.741 1.00 28.93 C ATOM 735 C LYS A 102 -7.221 -13.264 -11.517 1.00 28.45 C ATOM 736 O LYS A 102 -6.318 -14.026 -11.804 1.00 28.86 O ATOM 737 CB LYS A 102 -5.762 -11.302 -11.315 1.00 30.06 C ATOM 738 CG LYS A 102 -5.753 -9.871 -10.849 1.00 31.25 C ATOM 739 CD LYS A 102 -4.526 -9.166 -11.332 1.00 32.62 C ATOM 740 CE LYS A 102 -4.283 -7.908 -10.525 1.00 33.58 C ATOM 741 NZ LYS A 102 -3.042 -7.356 -11.101 1.00 34.77 N ATOM 742 HZ1 LYS A 102 -2.273 -8.048 -10.993 1.00 0.00 H ATOM 743 HZ2 LYS A 102 -3.190 -7.154 -12.111 1.00 0.00 H ATOM 744 HZ3 LYS A 102 -2.791 -6.478 -10.604 1.00 0.00 H ATOM 745 H LYS A 102 -5.836 -12.745 -9.056 1.00 0.00 H ATOM 746 N PHE A 103 -8.479 -13.486 -11.862 1.00 28.62 N ATOM 747 CA PHE A 103 -8.848 -14.745 -12.507 1.00 27.97 C ATOM 748 C PHE A 103 -9.561 -14.547 -13.828 1.00 28.19 C ATOM 749 O PHE A 103 -9.898 -13.429 -14.192 1.00 28.10 O ATOM 750 CB PHE A 103 -9.637 -15.622 -11.567 1.00 27.35 C ATOM 751 CG PHE A 103 -10.906 -15.044 -11.136 1.00 27.52 C ATOM 752 CD1 PHE A 103 -10.934 -14.053 -10.186 1.00 27.77 C ATOM 753 CD2 PHE A 103 -12.090 -15.515 -11.639 1.00 28.08 C ATOM 754 CE1 PHE A 103 -12.132 -13.507 -9.770 1.00 27.94 C ATOM 755 CE2 PHE A 103 -13.292 -14.979 -11.235 1.00 28.32 C ATOM 756 CZ PHE A 103 -13.312 -13.971 -10.298 1.00 28.32 C ATOM 757 H PHE A 103 -9.205 -12.765 -11.674 1.00 0.00 H ATOM 758 N THR A 104 -9.712 -15.646 -14.563 1.00 28.15 N ATOM 759 CA THR A 104 -10.597 -15.696 -15.727 1.00 28.94 C ATOM 760 C THR A 104 -11.337 -17.022 -15.731 1.00 29.39 C ATOM 761 O THR A 104 -10.728 -18.087 -15.572 1.00 29.04 O ATOM 762 CB THR A 104 -9.856 -15.436 -17.088 1.00 28.88 C ATOM 763 OG1 THR A 104 -10.755 -15.586 -18.183 1.00 28.86 O ATOM 764 CG2 THR A 104 -8.726 -16.382 -17.292 1.00 28.59 C ATOM 765 HG1 THR A 104 -10.272 -15.419 -19.031 1.00 0.00 H ATOM 766 H THR A 104 -9.181 -16.501 -14.300 1.00 0.00 H ATOM 767 N LEU A 105 -12.653 -16.907 -15.861 1.00 30.73 N ATOM 768 CA LEU A 105 -13.588 -18.018 -16.037 1.00 32.83 C ATOM 769 C LEU A 105 -14.058 -18.164 -17.487 1.00 35.18 C ATOM 770 O LEU A 105 -14.187 -17.181 -18.227 1.00 35.02 O ATOM 771 CB LEU A 105 -14.857 -17.755 -15.247 1.00 33.02 C ATOM 772 CG LEU A 105 -14.882 -18.125 -13.791 1.00 32.60 C ATOM 773 CD1 LEU A 105 -16.013 -17.384 -13.129 1.00 33.21 C ATOM 774 CD2 LEU A 105 -15.075 -19.619 -13.639 1.00 33.11 C ATOM 775 H LEU A 105 -13.053 -15.947 -15.836 1.00 0.00 H ATOM 776 N ARG A 106 -14.382 -19.389 -17.867 1.00 37.65 N ATOM 777 CA ARG A 106 -15.120 -19.618 -19.103 1.00 40.09 C ATOM 778 C ARG A 106 -16.553 -20.015 -18.797 1.00 42.06 C ATOM 779 O ARG A 106 -16.773 -21.004 -18.101 1.00 43.12 O ATOM 780 CB ARG A 106 -14.452 -20.691 -19.921 1.00 41.29 C ATOM 781 CG ARG A 106 -13.538 -20.102 -20.952 1.00 42.32 C ATOM 782 CD ARG A 106 -14.345 -19.361 -22.012 1.00 44.12 C ATOM 783 NE ARG A 106 -15.029 -20.281 -22.891 1.00 45.31 N ATOM 784 CZ ARG A 106 -14.695 -20.492 -24.161 1.00 47.60 C ATOM 785 NH1 ARG A 106 -13.666 -19.846 -24.711 1.00 46.97 N ATOM 786 NH2 ARG A 106 -15.398 -21.365 -24.898 1.00 48.95 N ATOM 787 HE ARG A 106 -15.835 -20.813 -22.506 1.00 0.00 H ATOM 788 HH12 ARG A 106 -13.414 -20.019 -25.705 1.00 0.00 H ATOM 789 HH11 ARG A 106 -13.115 -19.169 -24.146 1.00 0.00 H ATOM 790 HH22 ARG A 106 -15.140 -21.533 -25.891 1.00 0.00 H ATOM 791 HH21 ARG A 106 -16.201 -21.874 -24.476 1.00 0.00 H ATOM 792 H ARG A 106 -14.107 -20.199 -17.276 1.00 0.00 H ATOM 793 N ASP A 107 -17.510 -19.236 -19.306 1.00 43.66 N ATOM 794 CA ASP A 107 -18.938 -19.466 -19.069 1.00 45.71 C ATOM 795 C ASP A 107 -19.353 -20.867 -19.495 1.00 46.04 C ATOM 796 O ASP A 107 -18.869 -21.409 -20.481 1.00 45.11 O ATOM 797 CB ASP A 107 -19.817 -18.455 -19.852 1.00 47.79 C ATOM 798 CG ASP A 107 -20.007 -17.136 -19.122 1.00 48.55 C ATOM 799 OD1 ASP A 107 -20.204 -17.122 -17.871 1.00 48.84 O ATOM 800 OD2 ASP A 107 -19.975 -16.100 -19.817 1.00 49.98 O ATOM 801 H ASP A 107 -17.229 -18.428 -19.898 1.00 0.00 H ATOM 802 N CYS A 108 -20.288 -21.423 -18.751 1.00 46.73 N ATOM 803 CA CYS A 108 -20.826 -22.704 -19.079 1.00 48.46 C ATOM 804 C CYS A 108 -21.563 -22.672 -20.426 1.00 48.69 C ATOM 805 O CYS A 108 -21.558 -23.667 -21.121 1.00 47.85 O ATOM 806 CB CYS A 108 -21.703 -23.191 -17.937 1.00 49.95 C ATOM 807 SG CYS A 108 -20.700 -23.451 -16.456 1.00 51.21 S ATOM 808 H CYS A 108 -20.640 -20.920 -17.911 1.00 0.00 H ATOM 809 N ASN A 109 -22.145 -21.520 -20.783 1.00 48.81 N ATOM 810 CA ASN A 109 -22.721 -21.283 -22.115 1.00 50.12 C ATOM 811 C ASN A 109 -21.750 -21.536 -23.250 1.00 49.03 C ATOM 812 O ASN A 109 -22.132 -21.969 -24.302 1.00 50.15 O ATOM 813 CB ASN A 109 -23.099 -19.806 -22.291 1.00 51.06 C ATOM 814 CG ASN A 109 -24.379 -19.404 -21.577 1.00 52.80 C ATOM 815 OD1 ASN A 109 -25.506 -19.641 -22.061 1.00 54.05 O ATOM 816 ND2 ASN A 109 -24.210 -18.685 -20.461 1.00 52.28 N ATOM 817 HD22 ASN A 109 -23.252 -18.512 -20.094 1.00 0.00 H ATOM 818 HD21 ASN A 109 -25.036 -18.299 -19.961 1.00 0.00 H ATOM 819 H ASN A 109 -22.192 -20.753 -20.082 1.00 0.00 H ATOM 820 N SER A 110 -20.491 -21.190 -23.041 1.00 47.68 N ATOM 821 CA SER A 110 -19.511 -21.080 -24.133 1.00 47.21 C ATOM 822 C SER A 110 -18.886 -22.404 -24.494 1.00 46.38 C ATOM 823 O SER A 110 -18.342 -22.576 -25.586 1.00 46.19 O ATOM 824 CB SER A 110 -18.409 -20.064 -23.757 1.00 45.94 C ATOM 825 OG SER A 110 -18.144 -20.054 -22.354 1.00 44.96 O ATOM 826 HG SER A 110 -17.845 -20.954 -22.069 1.00 0.00 H ATOM 827 H SER A 110 -20.182 -20.988 -22.069 1.00 0.00 H ATOM 828 N LEU A 111 -18.947 -23.337 -23.560 1.00 45.63 N ATOM 829 CA LEU A 111 -18.367 -24.645 -23.763 1.00 44.89 C ATOM 830 C LEU A 111 -19.453 -25.557 -24.320 1.00 46.18 C ATOM 831 O LEU A 111 -20.464 -25.792 -23.649 1.00 46.59 O ATOM 832 CB LEU A 111 -17.863 -25.179 -22.445 1.00 43.73 C ATOM 833 CG LEU A 111 -16.936 -24.262 -21.651 1.00 42.36 C ATOM 834 CD1 LEU A 111 -16.856 -24.691 -20.191 1.00 41.65 C ATOM 835 CD2 LEU A 111 -15.560 -24.217 -22.272 1.00 41.94 C ATOM 836 H LEU A 111 -19.423 -23.125 -22.660 1.00 0.00 H ATOM 837 N PRO A 112 -19.269 -26.039 -25.560 1.00 46.58 N ATOM 838 CA PRO A 112 -20.127 -27.074 -26.124 1.00 48.59 C ATOM 839 C PRO A 112 -20.149 -28.342 -25.281 1.00 49.06 C ATOM 840 O PRO A 112 -19.157 -28.667 -24.611 1.00 48.66 O ATOM 841 CB PRO A 112 -19.467 -27.373 -27.475 1.00 49.26 C ATOM 842 CG PRO A 112 -18.750 -26.117 -27.842 1.00 47.73 C ATOM 843 CD PRO A 112 -18.345 -25.475 -26.563 1.00 46.10 C ATOM 844 N GLY A 113 -21.264 -29.057 -25.323 1.00 50.60 N ATOM 845 CA GLY A 113 -21.408 -30.306 -24.590 1.00 51.24 C ATOM 846 C GLY A 113 -22.333 -30.118 -23.413 1.00 51.78 C ATOM 847 O GLY A 113 -22.528 -28.990 -22.927 1.00 51.02 O ATOM 848 H GLY A 113 -22.061 -28.715 -25.897 1.00 0.00 H ATOM 849 N VAL A 114 -22.878 -31.230 -22.930 1.00 53.38 N ATOM 850 CA VAL A 114 -23.872 -31.208 -21.844 1.00 54.46 C ATOM 851 C VAL A 114 -23.134 -31.227 -20.498 1.00 53.24 C ATOM 852 O VAL A 114 -22.060 -31.828 -20.405 1.00 52.66 O ATOM 853 CB VAL A 114 -24.871 -32.378 -21.981 1.00 56.39 C ATOM 854 CG1 VAL A 114 -26.077 -32.168 -21.075 1.00 57.12 C ATOM 855 CG2 VAL A 114 -25.318 -32.520 -23.435 1.00 58.01 C ATOM 856 H VAL A 114 -22.593 -32.146 -23.332 1.00 0.00 H ATOM 857 N MET A 115 -23.680 -30.550 -19.482 1.00 53.45 N ATOM 858 CA MET A 115 -22.928 -30.304 -18.217 1.00 52.84 C ATOM 859 C MET A 115 -23.774 -29.938 -16.993 1.00 53.20 C ATOM 860 O MET A 115 -23.587 -28.872 -16.430 1.00 52.30 O ATOM 861 CB MET A 115 -21.932 -29.153 -18.399 1.00 50.67 C ATOM 862 CG MET A 115 -21.040 -29.209 -19.615 1.00 50.58 C ATOM 863 SD MET A 115 -20.150 -27.663 -19.847 1.00 48.89 S ATOM 864 CE MET A 115 -18.984 -28.261 -21.079 1.00 49.47 C ATOM 865 H MET A 115 -24.650 -30.187 -19.576 1.00 0.00 H ATOM 866 N GLY A 116 -24.659 -30.823 -16.552 1.00 55.98 N ATOM 867 CA GLY A 116 -25.532 -30.558 -15.399 1.00 57.03 C ATOM 868 C GLY A 116 -24.854 -30.036 -14.132 1.00 56.32 C ATOM 869 O GLY A 116 -25.525 -29.567 -13.194 1.00 56.10 O ATOM 870 H GLY A 116 -24.738 -31.738 -17.040 1.00 0.00 H ATOM 871 N THR A 117 -23.528 -30.123 -14.086 1.00 55.31 N ATOM 872 CA THR A 117 -22.785 -29.740 -12.893 1.00 54.10 C ATOM 873 C THR A 117 -21.770 -28.598 -13.107 1.00 52.04 C ATOM 874 O THR A 117 -21.105 -28.196 -12.151 1.00 50.68 O ATOM 875 CB THR A 117 -22.053 -30.968 -12.295 1.00 54.25 C ATOM 876 OG1 THR A 117 -20.823 -31.192 -13.003 1.00 53.79 O ATOM 877 CG2 THR A 117 -22.943 -32.232 -12.358 1.00 56.39 C ATOM 878 HG1 THR A 117 -20.245 -30.392 -12.919 1.00 0.00 H ATOM 879 H THR A 117 -23.011 -30.471 -14.918 1.00 0.00 H ATOM 880 N CYS A 118 -21.654 -28.082 -14.333 1.00 51.25 N ATOM 881 CA CYS A 118 -20.784 -26.929 -14.622 1.00 49.57 C ATOM 882 C CYS A 118 -21.003 -25.757 -13.639 1.00 46.93 C ATOM 883 O CYS A 118 -22.111 -25.554 -13.183 1.00 47.50 O ATOM 884 CB CYS A 118 -21.032 -26.462 -16.060 1.00 50.51 C ATOM 885 SG CYS A 118 -19.803 -25.298 -16.680 1.00 50.38 S ATOM 886 H CYS A 118 -22.197 -28.509 -15.111 1.00 0.00 H ATOM 887 N LYS A 119 -19.948 -25.011 -13.326 1.00 44.45 N ATOM 888 CA LYS A 119 -19.997 -23.869 -12.380 1.00 43.34 C ATOM 889 C LYS A 119 -19.287 -22.647 -12.932 1.00 41.15 C ATOM 890 O LYS A 119 -18.442 -22.752 -13.803 1.00 39.90 O ATOM 891 CB LYS A 119 -19.301 -24.211 -11.050 1.00 43.51 C ATOM 892 CG LYS A 119 -20.210 -24.464 -9.866 1.00 44.09 C ATOM 893 CD LYS A 119 -21.128 -25.634 -10.149 1.00 45.49 C ATOM 894 CE LYS A 119 -21.906 -26.023 -8.907 1.00 46.48 C ATOM 895 NZ LYS A 119 -23.174 -26.737 -9.218 1.00 48.37 N ATOM 896 HZ1 LYS A 119 -23.784 -26.123 -9.795 1.00 0.00 H ATOM 897 HZ2 LYS A 119 -22.960 -27.608 -9.744 1.00 0.00 H ATOM 898 HZ3 LYS A 119 -23.662 -26.977 -8.331 1.00 0.00 H ATOM 899 H LYS A 119 -19.036 -25.241 -13.770 1.00 0.00 H ATOM 900 N GLU A 120 -19.608 -21.496 -12.364 1.00 40.60 N ATOM 901 CA GLU A 120 -19.026 -20.211 -12.766 1.00 40.15 C ATOM 902 C GLU A 120 -18.452 -19.479 -11.533 1.00 38.70 C ATOM 903 O GLU A 120 -18.292 -18.263 -11.523 1.00 37.70 O ATOM 904 CB GLU A 120 -20.079 -19.362 -13.520 1.00 41.82 C ATOM 905 CG GLU A 120 -20.332 -19.822 -14.961 1.00 43.55 C ATOM 906 CD GLU A 120 -21.726 -19.448 -15.503 1.00 45.96 C ATOM 907 OE1 GLU A 120 -22.152 -18.268 -15.368 1.00 46.65 O ATOM 908 OE2 GLU A 120 -22.404 -20.342 -16.082 1.00 47.15 O ATOM 909 H GLU A 120 -20.308 -21.503 -11.594 1.00 0.00 H ATOM 910 N THR A 121 -18.113 -20.248 -10.499 1.00 38.24 N ATOM 911 CA THR A 121 -17.494 -19.720 -9.280 1.00 37.04 C ATOM 912 C THR A 121 -16.470 -20.729 -8.742 1.00 36.32 C ATOM 913 O THR A 121 -16.491 -21.896 -9.130 1.00 36.54 O ATOM 914 CB THR A 121 -18.544 -19.514 -8.175 1.00 37.27 C ATOM 915 OG1 THR A 121 -19.093 -20.785 -7.842 1.00 37.73 O ATOM 916 CG2 THR A 121 -19.668 -18.604 -8.629 1.00 37.89 C ATOM 917 HG1 THR A 121 -18.371 -21.381 -7.520 1.00 0.00 H ATOM 918 H THR A 121 -18.296 -21.270 -10.560 1.00 0.00 H ATOM 919 N PHE A 122 -15.577 -20.270 -7.860 1.00 34.91 N ATOM 920 CA PHE A 122 -14.796 -21.186 -7.008 1.00 34.22 C ATOM 921 C PHE A 122 -14.957 -20.681 -5.599 1.00 33.83 C ATOM 922 O PHE A 122 -15.497 -19.588 -5.404 1.00 33.47 O ATOM 923 CB PHE A 122 -13.320 -21.267 -7.403 1.00 33.44 C ATOM 924 CG PHE A 122 -12.642 -19.948 -7.445 1.00 33.35 C ATOM 925 CD1 PHE A 122 -12.880 -19.063 -8.496 1.00 34.19 C ATOM 926 CD2 PHE A 122 -11.793 -19.561 -6.433 1.00 33.12 C ATOM 927 CE1 PHE A 122 -12.273 -17.813 -8.524 1.00 33.78 C ATOM 928 CE2 PHE A 122 -11.178 -18.329 -6.460 1.00 33.14 C ATOM 929 CZ PHE A 122 -11.413 -17.451 -7.500 1.00 33.43 C ATOM 930 H PHE A 122 -15.430 -19.244 -7.773 1.00 0.00 H ATOM 931 N ASN A 123 -14.514 -21.488 -4.629 1.00 33.63 N ATOM 932 CA ASN A 123 -14.506 -21.109 -3.208 1.00 33.17 C ATOM 933 C ASN A 123 -13.112 -20.739 -2.763 1.00 32.45 C ATOM 934 O ASN A 123 -12.128 -21.219 -3.326 1.00 32.29 O ATOM 935 CB ASN A 123 -14.977 -22.251 -2.339 1.00 33.96 C ATOM 936 CG ASN A 123 -16.412 -22.579 -2.554 1.00 34.74 C ATOM 937 OD1 ASN A 123 -17.243 -21.693 -2.680 1.00 35.25 O ATOM 938 ND2 ASN A 123 -16.720 -23.866 -2.600 1.00 35.94 N ATOM 939 HD22 ASN A 123 -15.975 -24.583 -2.487 1.00 0.00 H ATOM 940 HD21 ASN A 123 -17.707 -24.160 -2.749 1.00 0.00 H ATOM 941 H ASN A 123 -14.158 -22.429 -4.892 1.00 0.00 H ATOM 942 N LEU A 124 -13.035 -19.861 -1.764 1.00 31.96 N ATOM 943 CA LEU A 124 -11.752 -19.388 -1.244 1.00 31.15 C ATOM 944 C LEU A 124 -11.806 -19.617 0.262 1.00 31.70 C ATOM 945 O LEU A 124 -12.791 -19.294 0.905 1.00 32.41 O ATOM 946 CB LEU A 124 -11.556 -17.913 -1.584 1.00 30.58 C ATOM 947 CG LEU A 124 -10.341 -17.190 -0.964 1.00 30.15 C ATOM 948 CD1 LEU A 124 -9.041 -17.664 -1.613 1.00 30.07 C ATOM 949 CD2 LEU A 124 -10.469 -15.677 -1.038 1.00 29.56 C ATOM 950 H LEU A 124 -13.914 -19.501 -1.341 1.00 0.00 H ATOM 951 N TYR A 125 -10.757 -20.211 0.807 1.00 32.02 N ATOM 952 CA TYR A 125 -10.724 -20.622 2.190 1.00 32.71 C ATOM 953 C TYR A 125 -9.427 -20.122 2.788 1.00 32.84 C ATOM 954 O TYR A 125 -8.464 -19.860 2.059 1.00 32.79 O ATOM 955 CB TYR A 125 -10.716 -22.130 2.271 1.00 33.40 C ATOM 956 CG TYR A 125 -12.019 -22.788 1.966 1.00 33.99 C ATOM 957 CD1 TYR A 125 -12.960 -22.983 2.958 1.00 35.03 C ATOM 958 CD2 TYR A 125 -12.311 -23.236 0.696 1.00 34.14 C ATOM 959 CE1 TYR A 125 -14.173 -23.600 2.688 1.00 36.08 C ATOM 960 CE2 TYR A 125 -13.521 -23.852 0.410 1.00 35.08 C ATOM 961 CZ TYR A 125 -14.450 -24.022 1.409 1.00 36.26 C ATOM 962 OH TYR A 125 -15.653 -24.662 1.153 1.00 38.91 O ATOM 963 HH TYR A 125 -16.192 -24.693 1.983 1.00 0.00 H ATOM 964 H TYR A 125 -9.921 -20.389 0.214 1.00 0.00 H ATOM 965 N TYR A 126 -9.380 -20.015 4.112 1.00 33.14 N ATOM 966 CA TYR A 126 -8.089 -19.864 4.791 1.00 33.31 C ATOM 967 C TYR A 126 -8.020 -20.756 6.016 1.00 33.65 C ATOM 968 O TYR A 126 -9.040 -21.156 6.583 1.00 33.57 O ATOM 969 CB TYR A 126 -7.813 -18.416 5.200 1.00 33.21 C ATOM 970 CG TYR A 126 -8.540 -18.012 6.451 1.00 33.81 C ATOM 971 CD1 TYR A 126 -9.885 -17.712 6.400 1.00 33.93 C ATOM 972 CD2 TYR A 126 -7.892 -17.941 7.687 1.00 35.03 C ATOM 973 CE1 TYR A 126 -10.589 -17.336 7.519 1.00 34.73 C ATOM 974 CE2 TYR A 126 -8.591 -17.554 8.827 1.00 35.71 C ATOM 975 CZ TYR A 126 -9.944 -17.248 8.725 1.00 35.68 C ATOM 976 OH TYR A 126 -10.695 -16.883 9.806 1.00 36.30 O ATOM 977 HH TYR A 126 -11.626 -16.710 9.516 1.00 0.00 H ATOM 978 H TYR A 126 -10.259 -20.038 4.667 1.00 0.00 H ATOM 979 N TYR A 127 -6.788 -21.038 6.413 1.00 34.10 N ATOM 980 CA TYR A 127 -6.506 -21.876 7.582 1.00 35.31 C ATOM 981 C TYR A 127 -5.355 -21.261 8.396 1.00 35.39 C ATOM 982 O TYR A 127 -4.244 -21.117 7.879 1.00 34.45 O ATOM 983 CB TYR A 127 -6.168 -23.307 7.134 1.00 35.78 C ATOM 984 CG TYR A 127 -5.649 -24.153 8.249 1.00 37.78 C ATOM 985 CD1 TYR A 127 -6.391 -24.323 9.416 1.00 38.41 C ATOM 986 CD2 TYR A 127 -4.397 -24.758 8.163 1.00 38.79 C ATOM 987 CE1 TYR A 127 -5.918 -25.086 10.451 1.00 39.80 C ATOM 988 CE2 TYR A 127 -3.914 -25.524 9.198 1.00 40.22 C ATOM 989 CZ TYR A 127 -4.683 -25.684 10.336 1.00 40.69 C ATOM 990 OH TYR A 127 -4.203 -26.456 11.348 1.00 42.07 O ATOM 991 HH TYR A 127 -4.861 -26.475 12.088 1.00 0.00 H ATOM 992 H TYR A 127 -5.989 -20.649 5.873 1.00 0.00 H ATOM 993 N GLU A 128 -5.643 -20.899 9.652 1.00 36.18 N ATOM 994 CA GLU A 128 -4.653 -20.281 10.542 1.00 37.24 C ATOM 995 C GLU A 128 -3.765 -21.328 11.223 1.00 39.15 C ATOM 996 O GLU A 128 -4.267 -22.234 11.884 1.00 39.60 O ATOM 997 CB GLU A 128 -5.351 -19.466 11.615 1.00 37.63 C ATOM 998 CG GLU A 128 -5.889 -18.155 11.105 1.00 36.86 C ATOM 999 CD GLU A 128 -5.973 -17.088 12.172 1.00 37.66 C ATOM 1000 OE1 GLU A 128 -4.898 -16.563 12.584 1.00 38.66 O ATOM 1001 OE2 GLU A 128 -7.115 -16.759 12.581 1.00 37.25 O ATOM 1002 H GLU A 128 -6.605 -21.062 10.011 1.00 0.00 H ATOM 1003 N SER A 129 -2.450 -21.184 11.072 1.00 40.36 N ATOM 1004 CA SER A 129 -1.493 -22.126 11.653 1.00 42.05 C ATOM 1005 C SER A 129 -0.160 -21.502 12.103 1.00 43.46 C ATOM 1006 O SER A 129 0.367 -20.568 11.500 1.00 42.62 O ATOM 1007 CB SER A 129 -1.193 -23.233 10.653 1.00 42.18 C ATOM 1008 OG SER A 129 -0.042 -23.968 11.042 1.00 44.00 O ATOM 1009 HG SER A 129 0.133 -24.681 10.378 1.00 0.00 H ATOM 1010 H SER A 129 -2.092 -20.376 10.524 1.00 0.00 H ATOM 1011 N ASP A 130 0.403 -22.066 13.160 1.00 45.89 N ATOM 1012 CA ASP A 130 1.709 -21.655 13.615 1.00 47.82 C ATOM 1013 C ASP A 130 2.775 -22.477 12.946 1.00 49.22 C ATOM 1014 O ASP A 130 3.929 -22.100 12.950 1.00 49.14 O ATOM 1015 CB ASP A 130 1.786 -21.744 15.133 1.00 49.34 C ATOM 1016 CG ASP A 130 1.058 -20.609 15.799 1.00 48.92 C ATOM 1017 OD1 ASP A 130 1.299 -19.455 15.394 1.00 48.57 O ATOM 1018 OD2 ASP A 130 0.247 -20.850 16.714 1.00 49.71 O ATOM 1019 H ASP A 130 -0.104 -22.817 13.670 1.00 0.00 H ATOM 1020 N ASN A 131 2.365 -23.575 12.323 1.00 50.91 N ATOM 1021 CA ASN A 131 3.281 -24.474 11.625 1.00 53.45 C ATOM 1022 C ASN A 131 3.426 -24.130 10.147 1.00 53.55 C ATOM 1023 O ASN A 131 2.451 -24.130 9.416 1.00 53.60 O ATOM 1024 CB ASN A 131 2.781 -25.903 11.738 1.00 54.15 C ATOM 1025 CG ASN A 131 3.707 -26.889 11.074 1.00 55.64 C ATOM 1026 OD1 ASN A 131 4.572 -26.507 10.281 1.00 55.35 O ATOM 1027 ND2 ASN A 131 3.539 -28.169 11.396 1.00 56.78 N ATOM 1028 HD22 ASN A 131 2.796 -28.442 12.070 1.00 0.00 H ATOM 1029 HD21 ASN A 131 4.151 -28.896 10.974 1.00 0.00 H ATOM 1030 H ASN A 131 1.351 -23.805 12.332 1.00 0.00 H ATOM 1031 N ASP A 132 4.656 -23.908 9.705 1.00 55.60 N ATOM 1032 CA ASP A 132 4.918 -23.448 8.368 1.00 55.83 C ATOM 1033 C ASP A 132 5.248 -24.564 7.402 1.00 58.31 C ATOM 1034 O ASP A 132 5.839 -24.311 6.357 1.00 58.36 O ATOM 1035 CB ASP A 132 6.030 -22.390 8.373 1.00 57.09 C ATOM 1036 CG ASP A 132 7.406 -22.964 8.679 1.00 60.75 C ATOM 1037 OD1 ASP A 132 7.542 -23.883 9.534 1.00 63.68 O ATOM 1038 OD2 ASP A 132 8.371 -22.478 8.055 1.00 62.33 O ATOM 1039 H ASP A 132 5.458 -24.072 10.346 1.00 0.00 H ATOM 1040 N LYS A 133 4.856 -25.792 7.731 1.00 62.00 N ATOM 1041 CA LYS A 133 5.222 -26.953 6.922 1.00 65.47 C ATOM 1042 C LYS A 133 4.234 -28.115 7.075 1.00 68.67 C ATOM 1043 O LYS A 133 4.628 -29.280 7.040 1.00 70.46 O ATOM 1044 CB LYS A 133 6.640 -27.454 7.278 1.00 67.69 C ATOM 1045 CG LYS A 133 7.779 -26.433 7.198 1.00 68.02 C ATOM 1046 CD LYS A 133 8.140 -26.026 5.771 1.00 66.69 C ATOM 1047 CE LYS A 133 8.990 -24.763 5.768 1.00 66.26 C ATOM 1048 NZ LYS A 133 9.671 -24.529 4.465 1.00 65.60 N ATOM 1049 HZ1 LYS A 133 10.295 -25.333 4.252 1.00 0.00 H ATOM 1050 HZ2 LYS A 133 8.957 -24.434 3.714 1.00 0.00 H ATOM 1051 HZ3 LYS A 133 10.235 -23.657 4.521 1.00 0.00 H ATOM 1052 H LYS A 133 4.276 -25.929 8.583 1.00 0.00 H ATOM 1053 N GLU A 134 2.951 -27.811 7.213 1.00 71.38 N ATOM 1054 CA GLU A 134 1.927 -28.861 7.255 1.00 74.13 C ATOM 1055 C GLU A 134 1.870 -29.537 5.869 1.00 76.80 C ATOM 1056 O GLU A 134 1.994 -28.867 4.837 1.00 75.80 O ATOM 1057 CB GLU A 134 0.569 -28.272 7.671 1.00 72.73 C ATOM 1058 CG GLU A 134 0.671 -27.291 8.847 1.00 72.80 C ATOM 1059 CD GLU A 134 -0.491 -27.357 9.823 1.00 73.38 C ATOM 1060 OE1 GLU A 134 -1.346 -28.250 9.678 1.00 74.62 O ATOM 1061 OE2 GLU A 134 -0.548 -26.523 10.757 1.00 72.79 O ATOM 1062 H GLU A 134 2.666 -26.814 7.293 1.00 0.00 H ATOM 1063 N ARG A 135 1.727 -30.861 5.846 1.00 81.36 N ATOM 1064 CA ARG A 135 1.811 -31.630 4.590 1.00 83.57 C ATOM 1065 C ARG A 135 0.442 -31.911 4.007 1.00 82.31 C ATOM 1066 O ARG A 135 0.231 -31.766 2.799 1.00 79.05 O ATOM 1067 CB ARG A 135 2.534 -32.963 4.814 1.00 87.35 C ATOM 1068 CG ARG A 135 3.921 -32.832 5.420 1.00 90.29 C ATOM 1069 CD ARG A 135 4.912 -32.213 4.447 1.00 90.75 C ATOM 1070 NE ARG A 135 6.143 -31.802 5.126 1.00 92.61 N ATOM 1071 CZ ARG A 135 7.176 -31.206 4.531 1.00 92.22 C ATOM 1072 NH1 ARG A 135 7.153 -30.943 3.223 1.00 91.36 N ATOM 1073 NH2 ARG A 135 8.241 -30.869 5.250 1.00 92.69 N ATOM 1074 HE ARG A 135 6.216 -31.989 6.146 1.00 0.00 H ATOM 1075 HH12 ARG A 135 7.966 -30.477 2.772 1.00 0.00 H ATOM 1076 HH11 ARG A 135 6.322 -31.204 2.655 1.00 0.00 H ATOM 1077 HH22 ARG A 135 9.051 -30.404 4.793 1.00 0.00 H ATOM 1078 HH21 ARG A 135 8.265 -31.071 6.270 1.00 0.00 H ATOM 1079 H ARG A 135 1.551 -31.366 6.738 1.00 0.00 H ATOM 1080 N PHE A 136 -0.466 -32.352 4.872 1.00 83.56 N ATOM 1081 CA PHE A 136 -1.861 -32.553 4.509 1.00 84.07 C ATOM 1082 C PHE A 136 -2.723 -31.850 5.540 1.00 82.28 C ATOM 1083 O PHE A 136 -2.800 -32.277 6.694 1.00 81.39 O ATOM 1084 CB PHE A 136 -2.209 -34.047 4.455 1.00 87.18 C ATOM 1085 CG PHE A 136 -3.688 -34.333 4.281 1.00 88.27 C ATOM 1086 CD1 PHE A 136 -4.257 -34.396 3.010 1.00 86.85 C ATOM 1087 CD2 PHE A 136 -4.508 -34.560 5.391 1.00 89.23 C ATOM 1088 CE1 PHE A 136 -5.609 -34.663 2.852 1.00 87.12 C ATOM 1089 CE2 PHE A 136 -5.860 -34.829 5.235 1.00 88.70 C ATOM 1090 CZ PHE A 136 -6.411 -34.881 3.964 1.00 87.88 C ATOM 1091 H PHE A 136 -0.168 -32.562 5.846 1.00 0.00 H ATOM 1092 N ILE A 137 -3.340 -30.747 5.126 1.00 80.20 N ATOM 1093 CA ILE A 137 -4.378 -30.117 5.926 1.00 77.29 C ATOM 1094 C ILE A 137 -5.721 -30.644 5.448 1.00 74.31 C ATOM 1095 O ILE A 137 -5.995 -30.689 4.244 1.00 73.08 O ATOM 1096 CB ILE A 137 -4.330 -28.584 5.846 1.00 76.17 C ATOM 1097 CG1 ILE A 137 -2.963 -28.080 6.349 1.00 76.22 C ATOM 1098 CG2 ILE A 137 -5.465 -27.986 6.675 1.00 75.52 C ATOM 1099 CD1 ILE A 137 -2.565 -26.714 5.827 1.00 74.53 C ATOM 1100 H ILE A 137 -3.075 -30.327 4.212 1.00 0.00 H ATOM 1101 N ARG A 138 -6.539 -31.067 6.404 1.00 71.61 N ATOM 1102 CA ARG A 138 -7.850 -31.581 6.095 1.00 69.92 C ATOM 1103 C ARG A 138 -8.695 -30.449 5.529 1.00 66.51 C ATOM 1104 O ARG A 138 -8.501 -29.279 5.885 1.00 65.55 O ATOM 1105 CB ARG A 138 -8.519 -32.165 7.340 1.00 71.04 C ATOM 1106 CG ARG A 138 -7.823 -33.391 7.931 1.00 72.86 C ATOM 1107 CD ARG A 138 -8.538 -33.908 9.177 1.00 73.99 C ATOM 1108 NE ARG A 138 -8.675 -32.887 10.223 1.00 74.24 N ATOM 1109 CZ ARG A 138 -9.281 -33.080 11.395 1.00 74.96 C ATOM 1110 NH1 ARG A 138 -9.806 -34.271 11.701 1.00 77.81 N ATOM 1111 NH2 ARG A 138 -9.354 -32.082 12.274 1.00 73.04 N ATOM 1112 HE ARG A 138 -8.271 -31.947 10.037 1.00 0.00 H ATOM 1113 HH12 ARG A 138 -10.277 -34.412 12.618 1.00 0.00 H ATOM 1114 HH11 ARG A 138 -9.744 -35.057 11.022 1.00 0.00 H ATOM 1115 HH22 ARG A 138 -9.826 -32.229 13.189 1.00 0.00 H ATOM 1116 HH21 ARG A 138 -8.939 -31.156 12.045 1.00 0.00 H ATOM 1117 H ARG A 138 -6.228 -31.027 7.396 1.00 0.00 H ATOM 1118 N GLU A 139 -9.619 -30.807 4.639 1.00 63.46 N ATOM 1119 CA GLU A 139 -10.585 -29.853 4.101 1.00 59.88 C ATOM 1120 C GLU A 139 -11.340 -29.129 5.219 1.00 57.61 C ATOM 1121 O GLU A 139 -11.601 -27.931 5.122 1.00 56.06 O ATOM 1122 CB GLU A 139 -11.573 -30.551 3.155 1.00 59.91 C ATOM 1123 CG GLU A 139 -10.988 -30.866 1.778 1.00 60.08 C ATOM 1124 CD GLU A 139 -11.806 -31.882 0.975 1.00 60.80 C ATOM 1125 OE1 GLU A 139 -13.062 -31.759 0.950 1.00 58.83 O ATOM 1126 OE2 GLU A 139 -11.188 -32.804 0.365 1.00 62.00 O ATOM 1127 H GLU A 139 -9.654 -31.795 4.318 1.00 0.00 H ATOM 1128 N ASN A 140 -11.671 -29.852 6.284 1.00 56.55 N ATOM 1129 CA ASN A 140 -12.569 -29.327 7.320 1.00 55.15 C ATOM 1130 C ASN A 140 -11.938 -28.416 8.370 1.00 52.22 C ATOM 1131 O ASN A 140 -12.648 -27.858 9.198 1.00 51.29 O ATOM 1132 CB ASN A 140 -13.266 -30.474 8.027 1.00 57.26 C ATOM 1133 CG ASN A 140 -12.291 -31.392 8.746 1.00 59.51 C ATOM 1134 OD1 ASN A 140 -11.197 -31.653 8.243 1.00 60.42 O ATOM 1135 ND2 ASN A 140 -12.682 -31.888 9.924 1.00 60.29 N ATOM 1136 HD22 ASN A 140 -13.616 -31.639 10.309 1.00 0.00 H ATOM 1137 HD21 ASN A 140 -12.053 -32.523 10.456 1.00 0.00 H ATOM 1138 H ASN A 140 -11.285 -30.812 6.386 1.00 0.00 H ATOM 1139 N GLN A 141 -10.619 -28.281 8.347 1.00 50.20 N ATOM 1140 CA GLN A 141 -9.955 -27.254 9.142 1.00 49.52 C ATOM 1141 C GLN A 141 -10.028 -25.894 8.420 1.00 47.78 C ATOM 1142 O GLN A 141 -9.655 -24.867 9.000 1.00 46.62 O ATOM 1143 CB GLN A 141 -8.491 -27.643 9.419 1.00 50.54 C ATOM 1144 CG GLN A 141 -8.340 -28.842 10.363 1.00 53.01 C ATOM 1145 CD GLN A 141 -6.954 -29.473 10.318 1.00 54.39 C ATOM 1146 OE1 GLN A 141 -6.747 -30.543 9.709 1.00 54.53 O ATOM 1147 NE2 GLN A 141 -5.991 -28.814 10.965 1.00 54.62 N ATOM 1148 HE22 GLN A 141 -6.210 -27.925 11.459 1.00 0.00 H ATOM 1149 HE21 GLN A 141 -5.021 -29.189 10.975 1.00 0.00 H ATOM 1150 H GLN A 141 -10.049 -28.917 7.753 1.00 0.00 H ATOM 1151 N PHE A 142 -10.488 -25.903 7.158 1.00 45.79 N ATOM 1152 CA PHE A 142 -10.482 -24.718 6.327 1.00 44.18 C ATOM 1153 C PHE A 142 -11.717 -23.875 6.541 1.00 42.61 C ATOM 1154 O PHE A 142 -12.806 -24.369 6.762 1.00 43.49 O ATOM 1155 CB PHE A 142 -10.278 -25.056 4.843 1.00 44.37 C ATOM 1156 CG PHE A 142 -8.837 -25.143 4.457 1.00 44.76 C ATOM 1157 CD1 PHE A 142 -8.110 -23.988 4.189 1.00 44.23 C ATOM 1158 CD2 PHE A 142 -8.191 -26.360 4.421 1.00 46.87 C ATOM 1159 CE1 PHE A 142 -6.768 -24.044 3.858 1.00 44.31 C ATOM 1160 CE2 PHE A 142 -6.844 -26.436 4.087 1.00 47.52 C ATOM 1161 CZ PHE A 142 -6.132 -25.275 3.819 1.00 46.63 C ATOM 1162 H PHE A 142 -10.861 -26.791 6.765 1.00 0.00 H ATOM 1163 N VAL A 143 -11.514 -22.576 6.490 1.00 40.97 N ATOM 1164 CA VAL A 143 -12.533 -21.633 6.872 1.00 40.10 C ATOM 1165 C VAL A 143 -12.798 -20.774 5.651 1.00 38.61 C ATOM 1166 O VAL A 143 -11.899 -20.120 5.106 1.00 37.00 O ATOM 1167 CB VAL A 143 -12.099 -20.827 8.120 1.00 39.79 C ATOM 1168 CG1 VAL A 143 -13.126 -19.762 8.466 1.00 39.20 C ATOM 1169 CG2 VAL A 143 -11.924 -21.788 9.289 1.00 40.53 C ATOM 1170 H VAL A 143 -10.592 -22.221 6.165 1.00 0.00 H ATOM 1171 N LYS A 144 -14.044 -20.864 5.207 1.00 38.15 N ATOM 1172 CA LYS A 144 -14.500 -20.236 3.996 1.00 37.26 C ATOM 1173 C LYS A 144 -14.511 -18.717 4.159 1.00 35.59 C ATOM 1174 O LYS A 144 -15.056 -18.185 5.108 1.00 35.23 O ATOM 1175 CB LYS A 144 -15.905 -20.725 3.661 1.00 38.04 C ATOM 1176 CG LYS A 144 -16.329 -20.387 2.257 1.00 38.28 C ATOM 1177 CD LYS A 144 -17.748 -20.831 2.000 1.00 39.53 C ATOM 1178 CE LYS A 144 -17.986 -21.049 0.512 1.00 40.10 C ATOM 1179 NZ LYS A 144 -19.439 -20.879 0.195 1.00 41.11 N ATOM 1180 HZ1 LYS A 144 -19.994 -21.573 0.736 1.00 0.00 H ATOM 1181 HZ2 LYS A 144 -19.738 -19.917 0.452 1.00 0.00 H ATOM 1182 HZ3 LYS A 144 -19.590 -21.030 -0.823 1.00 0.00 H ATOM 1183 H LYS A 144 -14.727 -21.417 5.763 1.00 0.00 H ATOM 1184 N ILE A 145 -13.890 -18.041 3.214 1.00 33.98 N ATOM 1185 CA ILE A 145 -13.897 -16.599 3.163 1.00 33.30 C ATOM 1186 C ILE A 145 -15.061 -16.205 2.235 1.00 33.11 C ATOM 1187 O ILE A 145 -15.964 -15.482 2.644 1.00 32.03 O ATOM 1188 CB ILE A 145 -12.579 -16.066 2.606 1.00 32.35 C ATOM 1189 CG1 ILE A 145 -11.404 -16.583 3.434 1.00 32.10 C ATOM 1190 CG2 ILE A 145 -12.626 -14.553 2.528 1.00 32.11 C ATOM 1191 CD1 ILE A 145 -10.067 -16.310 2.777 1.00 31.82 C ATOM 1192 H ILE A 145 -13.376 -18.566 2.478 1.00 0.00 H ATOM 1193 N ASP A 146 -15.062 -16.723 1.004 1.00 33.13 N ATOM 1194 CA ASP A 146 -16.199 -16.459 0.112 1.00 33.73 C ATOM 1195 C ASP A 146 -16.327 -17.386 -1.110 1.00 33.19 C ATOM 1196 O ASP A 146 -15.404 -18.080 -1.488 1.00 32.97 O ATOM 1197 CB ASP A 146 -16.160 -14.980 -0.340 1.00 33.59 C ATOM 1198 CG ASP A 146 -17.542 -14.417 -0.594 1.00 35.02 C ATOM 1199 OD1 ASP A 146 -18.529 -15.184 -0.651 1.00 35.64 O ATOM 1200 OD2 ASP A 146 -17.654 -13.187 -0.771 1.00 37.24 O ATOM 1201 H ASP A 146 -14.265 -17.308 0.680 1.00 0.00 H ATOM 1202 N THR A 147 -17.504 -17.389 -1.714 1.00 33.92 N ATOM 1203 CA THR A 147 -17.661 -17.923 -3.072 1.00 34.25 C ATOM 1204 C THR A 147 -17.302 -16.784 -4.026 1.00 33.73 C ATOM 1205 O THR A 147 -17.746 -15.673 -3.815 1.00 34.33 O ATOM 1206 CB THR A 147 -19.088 -18.451 -3.290 1.00 35.42 C ATOM 1207 OG1 THR A 147 -19.266 -19.630 -2.467 1.00 36.10 O ATOM 1208 CG2 THR A 147 -19.334 -18.799 -4.746 1.00 35.46 C ATOM 1209 HG1 THR A 147 -18.604 -20.318 -2.730 1.00 0.00 H ATOM 1210 H THR A 147 -18.333 -17.006 -1.217 1.00 0.00 H ATOM 1211 N ILE A 148 -16.453 -17.047 -5.017 1.00 33.06 N ATOM 1212 CA ILE A 148 -15.912 -16.007 -5.869 1.00 32.98 C ATOM 1213 C ILE A 148 -16.360 -16.210 -7.285 1.00 33.32 C ATOM 1214 O ILE A 148 -16.029 -17.222 -7.910 1.00 32.77 O ATOM 1215 CB ILE A 148 -14.360 -15.982 -5.926 1.00 32.63 C ATOM 1216 CG1 ILE A 148 -13.742 -15.823 -4.537 1.00 32.81 C ATOM 1217 CG2 ILE A 148 -13.889 -14.882 -6.878 1.00 32.50 C ATOM 1218 CD1 ILE A 148 -14.194 -14.619 -3.744 1.00 33.26 C ATOM 1219 H ILE A 148 -16.168 -18.033 -5.186 1.00 0.00 H ATOM 1220 N ALA A 149 -17.059 -15.200 -7.789 1.00 34.26 N ATOM 1221 CA ALA A 149 -17.623 -15.198 -9.129 1.00 35.25 C ATOM 1222 C ALA A 149 -17.022 -14.039 -9.868 1.00 35.84 C ATOM 1223 O ALA A 149 -16.502 -13.088 -9.249 1.00 35.13 O ATOM 1224 CB ALA A 149 -19.129 -15.019 -9.065 1.00 36.05 C ATOM 1225 H ALA A 149 -17.212 -14.363 -7.191 1.00 0.00 H ATOM 1226 N ALA A 150 -17.090 -14.124 -11.192 1.00 36.88 N ATOM 1227 CA ALA A 150 -16.882 -12.962 -12.029 1.00 38.39 C ATOM 1228 C ALA A 150 -17.974 -11.939 -11.711 1.00 40.05 C ATOM 1229 O ALA A 150 -19.150 -12.169 -11.993 1.00 41.76 O ATOM 1230 CB ALA A 150 -16.922 -13.359 -13.498 1.00 39.06 C ATOM 1231 H ALA A 150 -17.296 -15.042 -11.635 1.00 0.00 H ATOM 1232 N ASP A 151 -17.610 -10.827 -11.089 1.00 41.18 N ATOM 1233 CA ASP A 151 -18.586 -9.764 -10.863 1.00 43.70 C ATOM 1234 C ASP A 151 -18.288 -8.663 -11.885 1.00 43.66 C ATOM 1235 O ASP A 151 -17.940 -8.966 -13.019 1.00 44.40 O ATOM 1236 CB ASP A 151 -18.606 -9.287 -9.386 1.00 44.15 C ATOM 1237 CG ASP A 151 -19.915 -8.534 -9.023 1.00 46.57 C ATOM 1238 OD1 ASP A 151 -20.987 -9.181 -9.009 1.00 49.06 O ATOM 1239 OD2 ASP A 151 -19.893 -7.302 -8.766 1.00 47.09 O ATOM 1240 H ASP A 151 -16.630 -10.711 -10.762 1.00 0.00 H ATOM 1241 N GLU A 152 -18.413 -7.404 -11.494 1.00 44.59 N ATOM 1242 CA GLU A 152 -18.240 -6.273 -12.404 1.00 45.32 C ATOM 1243 C GLU A 152 -16.771 -5.910 -12.625 1.00 43.81 C ATOM 1244 O GLU A 152 -16.418 -5.351 -13.671 1.00 46.54 O ATOM 1245 CB GLU A 152 -18.883 -5.022 -11.821 1.00 47.18 C ATOM 1246 CG GLU A 152 -20.334 -5.100 -11.329 1.00 49.04 C ATOM 1247 CD GLU A 152 -20.745 -3.810 -10.593 1.00 50.99 C ATOM 1248 OE1 GLU A 152 -19.890 -2.887 -10.428 1.00 49.80 O ATOM 1249 OE2 GLU A 152 -21.924 -3.714 -10.171 1.00 53.26 O ATOM 1250 H GLU A 152 -18.644 -7.212 -10.498 1.00 0.00 H ATOM 1251 N SER A 153 -15.923 -6.207 -11.646 1.00 40.64 N ATOM 1252 CA SER A 153 -14.583 -5.626 -11.593 1.00 39.17 C ATOM 1253 C SER A 153 -13.629 -6.363 -12.480 1.00 37.09 C ATOM 1254 O SER A 153 -13.637 -7.579 -12.487 1.00 37.22 O ATOM 1255 CB SER A 153 -14.056 -5.655 -10.163 1.00 37.87 C ATOM 1256 OG SER A 153 -14.990 -4.995 -9.330 1.00 38.53 O ATOM 1257 HG SER A 153 -14.662 -5.005 -8.396 1.00 0.00 H ATOM 1258 H SER A 153 -16.220 -6.868 -10.900 1.00 0.00 H ATOM 1259 N PHE A 154 -12.810 -5.636 -13.213 1.00 35.79 N ATOM 1260 CA PHE A 154 -11.764 -6.257 -13.985 1.00 35.26 C ATOM 1261 C PHE A 154 -10.494 -5.415 -14.100 1.00 35.26 C ATOM 1262 O PHE A 154 -10.466 -4.207 -13.824 1.00 35.81 O ATOM 1263 CB PHE A 154 -12.266 -6.604 -15.390 1.00 35.58 C ATOM 1264 CG PHE A 154 -12.574 -5.403 -16.244 1.00 37.13 C ATOM 1265 CD1 PHE A 154 -11.580 -4.806 -17.032 1.00 37.86 C ATOM 1266 CD2 PHE A 154 -13.869 -4.878 -16.301 1.00 38.36 C ATOM 1267 CE1 PHE A 154 -11.868 -3.687 -17.831 1.00 39.18 C ATOM 1268 CE2 PHE A 154 -14.157 -3.765 -17.106 1.00 39.73 C ATOM 1269 CZ PHE A 154 -13.151 -3.165 -17.858 1.00 39.83 C ATOM 1270 H PHE A 154 -12.920 -4.602 -13.234 1.00 0.00 H ATOM 1271 N THR A 155 -9.454 -6.097 -14.539 1.00 34.61 N ATOM 1272 CA THR A 155 -8.186 -5.512 -14.855 1.00 35.27 C ATOM 1273 C THR A 155 -7.837 -5.981 -16.267 1.00 35.97 C ATOM 1274 O THR A 155 -8.371 -6.970 -16.772 1.00 35.74 O ATOM 1275 CB THR A 155 -7.121 -6.004 -13.857 1.00 34.77 C ATOM 1276 OG1 THR A 155 -5.964 -5.175 -13.908 1.00 35.67 O ATOM 1277 CG2 THR A 155 -6.687 -7.450 -14.138 1.00 33.51 C ATOM 1278 HG1 THR A 155 -5.293 -5.507 -13.261 1.00 0.00 H ATOM 1279 H THR A 155 -9.562 -7.124 -14.663 1.00 0.00 H ATOM 1280 N GLN A 156 -6.928 -5.273 -16.891 1.00 37.76 N ATOM 1281 CA GLN A 156 -6.358 -5.672 -18.170 1.00 38.81 C ATOM 1282 C GLN A 156 -4.871 -5.764 -17.937 1.00 37.83 C ATOM 1283 O GLN A 156 -4.307 -4.916 -17.261 1.00 38.78 O ATOM 1284 CB GLN A 156 -6.648 -4.618 -19.238 1.00 41.14 C ATOM 1285 CG GLN A 156 -7.990 -4.774 -19.957 1.00 42.42 C ATOM 1286 CD GLN A 156 -8.426 -3.501 -20.690 1.00 44.82 C ATOM 1287 OE1 GLN A 156 -8.848 -2.520 -20.070 1.00 44.85 O ATOM 1288 NE2 GLN A 156 -8.333 -3.520 -22.023 1.00 46.57 N ATOM 1289 HE22 GLN A 156 -7.972 -4.367 -22.507 1.00 0.00 H ATOM 1290 HE21 GLN A 156 -8.622 -2.688 -22.576 1.00 0.00 H ATOM 1291 H GLN A 156 -6.600 -4.388 -16.454 1.00 0.00 H ATOM 1292 N VAL A 157 -4.243 -6.806 -18.453 1.00 36.27 N ATOM 1293 CA VAL A 157 -2.798 -6.948 -18.363 1.00 35.68 C ATOM 1294 C VAL A 157 -2.223 -7.134 -19.771 1.00 36.01 C ATOM 1295 O VAL A 157 -2.549 -8.100 -20.485 1.00 35.51 O ATOM 1296 CB VAL A 157 -2.402 -8.131 -17.450 1.00 34.45 C ATOM 1297 CG1 VAL A 157 -0.890 -8.172 -17.257 1.00 34.30 C ATOM 1298 CG2 VAL A 157 -3.121 -8.004 -16.112 1.00 33.94 C ATOM 1299 H VAL A 157 -4.796 -7.543 -18.936 1.00 0.00 H ATOM 1300 N ASP A 158 -1.378 -6.191 -20.167 1.00 36.59 N ATOM 1301 CA ASP A 158 -0.799 -6.185 -21.513 1.00 37.26 C ATOM 1302 C ASP A 158 0.374 -7.140 -21.490 1.00 36.28 C ATOM 1303 O ASP A 158 1.348 -6.895 -20.780 1.00 36.95 O ATOM 1304 CB ASP A 158 -0.335 -4.772 -21.896 1.00 38.43 C ATOM 1305 CG ASP A 158 -0.044 -4.615 -23.390 1.00 39.73 C ATOM 1306 OD1 ASP A 158 0.032 -5.616 -24.119 1.00 39.40 O ATOM 1307 OD2 ASP A 158 0.132 -3.451 -23.837 1.00 41.22 O ATOM 1308 H ASP A 158 -1.119 -5.434 -19.503 1.00 0.00 H ATOM 1309 N ILE A 159 0.277 -8.231 -22.239 1.00 34.76 N ATOM 1310 CA ILE A 159 1.371 -9.199 -22.304 1.00 33.96 C ATOM 1311 C ILE A 159 1.951 -9.317 -23.698 1.00 34.56 C ATOM 1312 O ILE A 159 2.601 -10.337 -24.009 1.00 34.29 O ATOM 1313 CB ILE A 159 0.952 -10.589 -21.826 1.00 32.74 C ATOM 1314 CG1 ILE A 159 -0.046 -11.243 -22.787 1.00 32.56 C ATOM 1315 CG2 ILE A 159 0.350 -10.504 -20.433 1.00 32.06 C ATOM 1316 CD1 ILE A 159 -0.377 -12.660 -22.396 1.00 31.58 C ATOM 1317 H ILE A 159 -0.590 -8.400 -22.788 1.00 0.00 H ATOM 1318 N GLY A 160 1.717 -8.287 -24.524 1.00 34.95 N ATOM 1319 CA GLY A 160 2.356 -8.177 -25.825 1.00 36.03 C ATOM 1320 C GLY A 160 1.423 -8.519 -26.955 1.00 36.00 C ATOM 1321 O GLY A 160 0.796 -7.631 -27.516 1.00 37.18 O ATOM 1322 H GLY A 160 1.056 -7.542 -24.224 1.00 0.00 H ATOM 1323 N ASP A 161 1.329 -9.805 -27.283 1.00 35.00 N ATOM 1324 CA ASP A 161 0.434 -10.276 -28.340 1.00 35.29 C ATOM 1325 C ASP A 161 -1.029 -10.116 -27.969 1.00 34.63 C ATOM 1326 O ASP A 161 -1.844 -9.912 -28.833 1.00 35.06 O ATOM 1327 CB ASP A 161 0.718 -11.758 -28.672 1.00 35.11 C ATOM 1328 CG ASP A 161 -0.205 -12.313 -29.754 1.00 35.31 C ATOM 1329 OD1 ASP A 161 -0.034 -11.972 -30.949 1.00 36.50 O ATOM 1330 OD2 ASP A 161 -1.123 -13.064 -29.397 1.00 34.27 O ATOM 1331 H ASP A 161 1.911 -10.498 -26.771 1.00 0.00 H ATOM 1332 N ARG A 162 -1.345 -10.219 -26.685 1.00 34.12 N ATOM 1333 CA ARG A 162 -2.700 -10.173 -26.183 1.00 33.88 C ATOM 1334 C ARG A 162 -2.776 -9.251 -24.994 1.00 33.90 C ATOM 1335 O ARG A 162 -1.767 -8.923 -24.419 1.00 33.78 O ATOM 1336 CB ARG A 162 -3.094 -11.528 -25.649 1.00 33.19 C ATOM 1337 CG ARG A 162 -3.098 -12.670 -26.642 1.00 33.81 C ATOM 1338 CD ARG A 162 -4.381 -12.656 -27.448 1.00 34.73 C ATOM 1339 NE ARG A 162 -5.571 -12.802 -26.607 1.00 34.49 N ATOM 1340 CZ ARG A 162 -6.816 -12.718 -27.066 1.00 35.17 C ATOM 1341 NH1 ARG A 162 -7.014 -12.476 -28.353 1.00 36.23 N ATOM 1342 NH2 ARG A 162 -7.856 -12.855 -26.239 1.00 34.62 N ATOM 1343 HE ARG A 162 -5.434 -12.982 -25.592 1.00 0.00 H ATOM 1344 HH12 ARG A 162 -7.982 -12.408 -28.726 1.00 0.00 H ATOM 1345 HH11 ARG A 162 -6.201 -12.354 -28.990 1.00 0.00 H ATOM 1346 HH22 ARG A 162 -8.826 -12.788 -26.608 1.00 0.00 H ATOM 1347 HH21 ARG A 162 -7.696 -13.029 -25.226 1.00 0.00 H ATOM 1348 H ARG A 162 -0.573 -10.340 -25.999 1.00 0.00 H ATOM 1349 N ILE A 163 -4.001 -8.870 -24.630 1.00 34.09 N ATOM 1350 CA ILE A 163 -4.301 -8.192 -23.388 1.00 34.32 C ATOM 1351 C ILE A 163 -5.266 -9.033 -22.580 1.00 33.88 C ATOM 1352 O ILE A 163 -6.452 -9.100 -22.893 1.00 34.17 O ATOM 1353 CB ILE A 163 -5.009 -6.855 -23.611 1.00 35.56 C ATOM 1354 CG1 ILE A 163 -4.055 -5.869 -24.287 1.00 36.85 C ATOM 1355 CG2 ILE A 163 -5.508 -6.322 -22.269 1.00 35.21 C ATOM 1356 CD1 ILE A 163 -4.754 -4.703 -24.962 1.00 38.40 C ATOM 1357 H ILE A 163 -4.788 -9.073 -25.278 1.00 0.00 H ATOM 1358 N MET A 164 -4.769 -9.639 -21.513 1.00 33.38 N ATOM 1359 CA MET A 164 -5.615 -10.436 -20.682 1.00 32.69 C ATOM 1360 C MET A 164 -6.535 -9.463 -20.007 1.00 32.67 C ATOM 1361 O MET A 164 -6.085 -8.588 -19.264 1.00 32.60 O ATOM 1362 CB MET A 164 -4.826 -11.215 -19.628 1.00 32.06 C ATOM 1363 CG MET A 164 -3.594 -11.901 -20.181 1.00 32.48 C ATOM 1364 SD MET A 164 -2.985 -13.145 -19.023 1.00 32.38 S ATOM 1365 CE MET A 164 -2.039 -12.097 -17.932 1.00 31.85 C ATOM 1366 H MET A 164 -3.761 -9.535 -21.279 1.00 0.00 H ATOM 1367 N LYS A 165 -7.817 -9.595 -20.316 1.00 32.51 N ATOM 1368 CA LYS A 165 -8.848 -9.004 -19.512 1.00 32.71 C ATOM 1369 C LYS A 165 -9.215 -10.049 -18.455 1.00 31.59 C ATOM 1370 O LYS A 165 -9.514 -11.189 -18.805 1.00 31.31 O ATOM 1371 CB LYS A 165 -10.049 -8.654 -20.363 1.00 33.89 C ATOM 1372 CG LYS A 165 -11.196 -8.027 -19.581 1.00 34.80 C ATOM 1373 CD LYS A 165 -12.082 -7.192 -20.505 1.00 36.48 C ATOM 1374 CE LYS A 165 -13.482 -7.033 -19.947 1.00 37.11 C ATOM 1375 NZ LYS A 165 -14.299 -6.415 -21.022 1.00 39.09 N ATOM 1376 HZ1 LYS A 165 -13.893 -5.492 -21.277 1.00 0.00 H ATOM 1377 HZ2 LYS A 165 -14.300 -7.037 -21.856 1.00 0.00 H ATOM 1378 HZ3 LYS A 165 -15.274 -6.285 -20.684 1.00 0.00 H ATOM 1379 H LYS A 165 -8.082 -10.140 -21.161 1.00 0.00 H ATOM 1380 N LEU A 166 -9.181 -9.666 -17.178 1.00 30.59 N ATOM 1381 CA LEU A 166 -9.387 -10.616 -16.076 1.00 29.64 C ATOM 1382 C LEU A 166 -10.304 -10.066 -15.047 1.00 29.96 C ATOM 1383 O LEU A 166 -10.418 -8.864 -14.917 1.00 31.22 O ATOM 1384 CB LEU A 166 -8.077 -10.870 -15.381 1.00 28.60 C ATOM 1385 CG LEU A 166 -6.967 -11.384 -16.251 1.00 28.64 C ATOM 1386 CD1 LEU A 166 -5.687 -11.402 -15.453 1.00 28.44 C ATOM 1387 CD2 LEU A 166 -7.295 -12.789 -16.766 1.00 28.45 C ATOM 1388 H LEU A 166 -9.003 -8.666 -16.956 1.00 0.00 H ATOM 1389 N ASN A 167 -10.936 -10.915 -14.266 1.00 30.04 N ATOM 1390 CA ASN A 167 -11.658 -10.390 -13.124 1.00 30.57 C ATOM 1391 C ASN A 167 -10.666 -10.096 -12.041 1.00 30.32 C ATOM 1392 O ASN A 167 -9.653 -10.808 -11.935 1.00 30.35 O ATOM 1393 CB ASN A 167 -12.681 -11.362 -12.617 1.00 30.68 C ATOM 1394 CG ASN A 167 -13.702 -11.691 -13.647 1.00 31.64 C ATOM 1395 OD1 ASN A 167 -13.700 -12.786 -14.162 1.00 33.02 O ATOM 1396 ND2 ASN A 167 -14.574 -10.759 -13.959 1.00 32.71 N ATOM 1397 HD22 ASN A 167 -14.535 -9.832 -13.488 1.00 0.00 H ATOM 1398 HD21 ASN A 167 -15.303 -10.948 -14.676 1.00 0.00 H ATOM 1399 H ASN A 167 -10.918 -11.936 -14.463 1.00 0.00 H ATOM 1400 N THR A 168 -10.933 -9.044 -11.266 1.00 30.74 N ATOM 1401 CA THR A 168 -10.171 -8.744 -10.044 1.00 30.72 C ATOM 1402 C THR A 168 -11.119 -8.788 -8.894 1.00 30.19 C ATOM 1403 O THR A 168 -11.963 -7.932 -8.799 1.00 30.73 O ATOM 1404 CB THR A 168 -9.614 -7.312 -9.999 1.00 31.95 C ATOM 1405 OG1 THR A 168 -9.494 -6.791 -11.314 1.00 33.46 O ATOM 1406 CG2 THR A 168 -8.248 -7.286 -9.328 1.00 32.21 C ATOM 1407 HG1 THR A 168 -9.135 -5.869 -11.271 1.00 0.00 H ATOM 1408 H THR A 168 -11.712 -8.410 -11.537 1.00 0.00 H ATOM 1409 N GLU A 169 -10.999 -9.767 -8.008 1.00 29.87 N ATOM 1410 CA GLU A 169 -11.711 -9.689 -6.752 1.00 29.77 C ATOM 1411 C GLU A 169 -10.720 -9.463 -5.609 1.00 29.44 C ATOM 1412 O GLU A 169 -9.587 -9.934 -5.655 1.00 28.85 O ATOM 1413 CB GLU A 169 -12.526 -10.936 -6.508 1.00 29.73 C ATOM 1414 CG GLU A 169 -13.744 -11.086 -7.404 1.00 30.66 C ATOM 1415 CD GLU A 169 -14.726 -9.948 -7.312 1.00 31.64 C ATOM 1416 OE1 GLU A 169 -15.056 -9.506 -6.183 1.00 32.03 O ATOM 1417 OE2 GLU A 169 -15.173 -9.494 -8.388 1.00 32.01 O ATOM 1418 H GLU A 169 -10.395 -10.588 -8.216 1.00 0.00 H ATOM 1419 N ILE A 170 -11.168 -8.736 -4.589 1.00 29.67 N ATOM 1420 CA ILE A 170 -10.396 -8.533 -3.371 1.00 29.47 C ATOM 1421 C ILE A 170 -11.303 -8.891 -2.230 1.00 29.69 C ATOM 1422 O ILE A 170 -12.461 -8.485 -2.227 1.00 29.00 O ATOM 1423 CB ILE A 170 -9.870 -7.100 -3.226 1.00 30.10 C ATOM 1424 CG1 ILE A 170 -9.061 -6.948 -1.933 1.00 30.53 C ATOM 1425 CG2 ILE A 170 -11.007 -6.070 -3.198 1.00 31.04 C ATOM 1426 CD1 ILE A 170 -8.171 -5.727 -1.946 1.00 30.99 C ATOM 1427 H ILE A 170 -12.107 -8.295 -4.664 1.00 0.00 H ATOM 1428 N ARG A 171 -10.796 -9.722 -1.304 1.00 30.32 N ATOM 1429 CA ARG A 171 -11.460 -9.975 -0.009 1.00 30.97 C ATOM 1430 C ARG A 171 -10.484 -9.673 1.125 1.00 31.98 C ATOM 1431 O ARG A 171 -9.255 -9.677 0.949 1.00 32.12 O ATOM 1432 CB ARG A 171 -11.907 -11.439 0.136 1.00 30.95 C ATOM 1433 CG ARG A 171 -12.903 -11.984 -0.887 1.00 30.94 C ATOM 1434 CD ARG A 171 -14.370 -11.581 -0.595 1.00 31.53 C ATOM 1435 NE ARG A 171 -15.212 -11.767 -1.770 1.00 31.23 N ATOM 1436 CZ ARG A 171 -15.097 -11.055 -2.894 1.00 31.15 C ATOM 1437 NH1 ARG A 171 -14.210 -10.086 -3.001 1.00 30.90 N ATOM 1438 NH2 ARG A 171 -15.872 -11.310 -3.919 1.00 31.21 N ATOM 1439 HE ARG A 171 -15.949 -12.500 -1.731 1.00 0.00 H ATOM 1440 HH12 ARG A 171 -14.137 -9.543 -3.885 1.00 0.00 H ATOM 1441 HH11 ARG A 171 -13.583 -9.864 -2.201 1.00 0.00 H ATOM 1442 HH22 ARG A 171 -15.779 -10.753 -4.792 1.00 0.00 H ATOM 1443 HH21 ARG A 171 -16.580 -12.069 -3.859 1.00 0.00 H ATOM 1444 H ARG A 171 -9.899 -10.207 -1.507 1.00 0.00 H ATOM 1445 N ASP A 172 -11.019 -9.464 2.315 1.00 33.13 N ATOM 1446 CA ASP A 172 -10.166 -9.327 3.466 1.00 33.69 C ATOM 1447 C ASP A 172 -10.546 -10.315 4.554 1.00 33.48 C ATOM 1448 O ASP A 172 -11.695 -10.706 4.655 1.00 34.00 O ATOM 1449 CB ASP A 172 -10.207 -7.891 3.983 1.00 34.94 C ATOM 1450 CG ASP A 172 -11.609 -7.427 4.349 1.00 36.01 C ATOM 1451 OD1 ASP A 172 -12.351 -7.000 3.431 1.00 36.50 O ATOM 1452 OD2 ASP A 172 -11.948 -7.434 5.564 1.00 37.14 O ATOM 1453 H ASP A 172 -12.052 -9.399 2.419 1.00 0.00 H ATOM 1454 N VAL A 173 -9.570 -10.689 5.382 1.00 33.34 N ATOM 1455 CA VAL A 173 -9.787 -11.601 6.506 1.00 33.02 C ATOM 1456 C VAL A 173 -9.087 -11.153 7.780 1.00 32.69 C ATOM 1457 O VAL A 173 -7.955 -10.652 7.759 1.00 32.91 O ATOM 1458 CB VAL A 173 -9.283 -13.019 6.191 1.00 33.27 C ATOM 1459 CG1 VAL A 173 -7.942 -12.964 5.490 1.00 33.71 C ATOM 1460 CG2 VAL A 173 -9.140 -13.846 7.463 1.00 33.95 C ATOM 1461 H VAL A 173 -8.612 -10.316 5.222 1.00 0.00 H ATOM 1462 N GLY A 174 -9.763 -11.394 8.898 1.00 31.92 N ATOM 1463 CA GLY A 174 -9.201 -11.196 10.214 1.00 31.19 C ATOM 1464 C GLY A 174 -10.303 -11.185 11.240 1.00 30.92 C ATOM 1465 O GLY A 174 -11.465 -11.339 10.906 1.00 30.56 O ATOM 1466 H GLY A 174 -10.741 -11.741 8.822 1.00 0.00 H ATOM 1467 N PRO A 175 -9.958 -10.953 12.502 1.00 31.37 N ATOM 1468 CA PRO A 175 -8.589 -10.660 12.907 1.00 31.98 C ATOM 1469 C PRO A 175 -7.831 -11.976 12.999 1.00 32.21 C ATOM 1470 O PRO A 175 -8.364 -12.932 13.511 1.00 31.75 O ATOM 1471 CB PRO A 175 -8.751 -10.010 14.278 1.00 32.73 C ATOM 1472 CG PRO A 175 -10.179 -10.281 14.691 1.00 32.78 C ATOM 1473 CD PRO A 175 -10.844 -11.123 13.651 1.00 31.68 C ATOM 1474 N LEU A 176 -6.617 -12.009 12.465 1.00 32.86 N ATOM 1475 CA LEU A 176 -5.736 -13.162 12.568 1.00 33.64 C ATOM 1476 C LEU A 176 -4.918 -13.055 13.862 1.00 35.58 C ATOM 1477 O LEU A 176 -4.500 -11.934 14.261 1.00 36.07 O ATOM 1478 CB LEU A 176 -4.807 -13.191 11.359 1.00 33.13 C ATOM 1479 CG LEU A 176 -5.510 -13.295 10.002 1.00 32.15 C ATOM 1480 CD1 LEU A 176 -4.525 -12.994 8.886 1.00 31.99 C ATOM 1481 CD2 LEU A 176 -6.100 -14.685 9.831 1.00 31.83 C ATOM 1482 H LEU A 176 -6.279 -11.172 11.949 1.00 0.00 H ATOM 1483 N SER A 177 -4.671 -14.213 14.485 1.00 36.38 N ATOM 1484 CA SER A 177 -3.871 -14.316 15.725 1.00 37.89 C ATOM 1485 C SER A 177 -2.614 -15.231 15.660 1.00 39.42 C ATOM 1486 O SER A 177 -1.569 -14.899 16.246 1.00 41.12 O ATOM 1487 CB SER A 177 -4.768 -14.764 16.875 1.00 38.20 C ATOM 1488 OG SER A 177 -5.365 -16.015 16.594 1.00 37.80 O ATOM 1489 HG SER A 177 -5.913 -15.941 15.773 1.00 0.00 H ATOM 1490 H SER A 177 -5.062 -15.086 14.076 1.00 0.00 H ATOM 1491 N LYS A 178 -2.682 -16.345 14.927 1.00 39.36 N ATOM 1492 CA LYS A 178 -1.540 -17.259 14.791 1.00 40.37 C ATOM 1493 C LYS A 178 -0.464 -16.637 13.934 1.00 40.27 C ATOM 1494 O LYS A 178 -0.712 -15.629 13.307 1.00 39.79 O ATOM 1495 CB LYS A 178 -1.949 -18.566 14.130 1.00 40.27 C ATOM 1496 CG LYS A 178 -3.224 -19.197 14.642 1.00 40.37 C ATOM 1497 CD LYS A 178 -3.040 -19.843 15.984 1.00 42.30 C ATOM 1498 CE LYS A 178 -4.267 -20.665 16.329 1.00 42.52 C ATOM 1499 NZ LYS A 178 -4.568 -21.635 15.242 1.00 42.02 N ATOM 1500 HZ1 LYS A 178 -4.745 -21.118 14.357 1.00 0.00 H ATOM 1501 HZ2 LYS A 178 -3.758 -22.274 15.115 1.00 0.00 H ATOM 1502 HZ3 LYS A 178 -5.411 -22.188 15.496 1.00 0.00 H ATOM 1503 H LYS A 178 -3.571 -16.573 14.437 1.00 0.00 H ATOM 1504 N LYS A 179 0.706 -17.275 13.860 1.00 41.34 N ATOM 1505 CA LYS A 179 1.877 -16.713 13.159 1.00 42.24 C ATOM 1506 C LYS A 179 1.650 -16.431 11.674 1.00 41.31 C ATOM 1507 O LYS A 179 2.000 -15.361 11.179 1.00 41.67 O ATOM 1508 CB LYS A 179 3.093 -17.643 13.310 1.00 43.76 C ATOM 1509 CG LYS A 179 4.430 -17.011 12.947 1.00 44.71 C ATOM 1510 CD LYS A 179 5.551 -18.038 12.880 1.00 46.25 C ATOM 1511 CE LYS A 179 6.881 -17.378 12.537 1.00 47.67 C ATOM 1512 NZ LYS A 179 7.946 -18.342 12.109 1.00 48.91 N ATOM 1513 HZ1 LYS A 179 8.127 -19.020 12.877 1.00 0.00 H ATOM 1514 HZ2 LYS A 179 7.628 -18.854 11.261 1.00 0.00 H ATOM 1515 HZ3 LYS A 179 8.819 -17.819 11.893 1.00 0.00 H ATOM 1516 H LYS A 179 0.796 -18.206 14.315 1.00 0.00 H ATOM 1517 N GLY A 180 1.078 -17.408 10.976 1.00 40.84 N ATOM 1518 CA GLY A 180 0.759 -17.288 9.568 1.00 39.40 C ATOM 1519 C GLY A 180 -0.500 -18.058 9.245 1.00 38.53 C ATOM 1520 O GLY A 180 -1.292 -18.382 10.147 1.00 39.39 O ATOM 1521 H GLY A 180 0.849 -18.298 11.463 1.00 0.00 H ATOM 1522 N PHE A 181 -0.666 -18.364 7.959 1.00 37.18 N ATOM 1523 CA PHE A 181 -1.875 -18.983 7.452 1.00 36.10 C ATOM 1524 C PHE A 181 -1.645 -19.544 6.060 1.00 35.04 C ATOM 1525 O PHE A 181 -0.645 -19.255 5.400 1.00 34.43 O ATOM 1526 CB PHE A 181 -3.017 -17.968 7.379 1.00 35.70 C ATOM 1527 CG PHE A 181 -2.693 -16.768 6.529 1.00 35.78 C ATOM 1528 CD1 PHE A 181 -2.901 -16.788 5.170 1.00 35.26 C ATOM 1529 CD2 PHE A 181 -2.131 -15.635 7.095 1.00 36.51 C ATOM 1530 CE1 PHE A 181 -2.588 -15.685 4.383 1.00 35.35 C ATOM 1531 CE2 PHE A 181 -1.801 -14.532 6.314 1.00 36.73 C ATOM 1532 CZ PHE A 181 -2.025 -14.550 4.954 1.00 35.81 C ATOM 1533 H PHE A 181 0.103 -18.150 7.292 1.00 0.00 H ATOM 1534 N TYR A 182 -2.611 -20.354 5.641 1.00 34.30 N ATOM 1535 CA TYR A 182 -2.612 -21.027 4.367 1.00 33.49 C ATOM 1536 C TYR A 182 -3.867 -20.600 3.652 1.00 32.51 C ATOM 1537 O TYR A 182 -4.895 -20.396 4.318 1.00 31.59 O ATOM 1538 CB TYR A 182 -2.701 -22.528 4.598 1.00 34.47 C ATOM 1539 CG TYR A 182 -1.457 -23.142 5.131 1.00 35.91 C ATOM 1540 CD1 TYR A 182 -0.434 -23.519 4.272 1.00 36.21 C ATOM 1541 CD2 TYR A 182 -1.279 -23.314 6.495 1.00 37.03 C ATOM 1542 CE1 TYR A 182 0.723 -24.084 4.744 1.00 37.56 C ATOM 1543 CE2 TYR A 182 -0.123 -23.889 6.983 1.00 38.61 C ATOM 1544 CZ TYR A 182 0.869 -24.281 6.097 1.00 38.96 C ATOM 1545 OH TYR A 182 2.029 -24.841 6.572 1.00 40.80 O ATOM 1546 HH TYR A 182 2.483 -24.198 7.172 1.00 0.00 H ATOM 1547 H TYR A 182 -3.420 -20.513 6.275 1.00 0.00 H ATOM 1548 N LEU A 183 -3.787 -20.463 2.320 1.00 32.27 N ATOM 1549 CA LEU A 183 -4.978 -20.204 1.506 1.00 32.50 C ATOM 1550 C LEU A 183 -5.264 -21.389 0.648 1.00 33.07 C ATOM 1551 O LEU A 183 -4.353 -22.004 0.086 1.00 34.15 O ATOM 1552 CB LEU A 183 -4.816 -19.017 0.576 1.00 32.27 C ATOM 1553 CG LEU A 183 -4.629 -17.687 1.265 1.00 32.60 C ATOM 1554 CD1 LEU A 183 -4.478 -16.638 0.182 1.00 32.66 C ATOM 1555 CD2 LEU A 183 -5.804 -17.403 2.189 1.00 32.76 C ATOM 1556 H LEU A 183 -2.860 -20.542 1.855 1.00 0.00 H ATOM 1557 N ALA A 184 -6.547 -21.702 0.546 1.00 33.02 N ATOM 1558 CA ALA A 184 -6.998 -22.819 -0.258 1.00 33.17 C ATOM 1559 C ALA A 184 -8.013 -22.298 -1.250 1.00 32.25 C ATOM 1560 O ALA A 184 -8.766 -21.372 -0.958 1.00 32.14 O ATOM 1561 CB ALA A 184 -7.600 -23.905 0.619 1.00 34.04 C ATOM 1562 H ALA A 184 -7.249 -21.130 1.057 1.00 0.00 H ATOM 1563 N PHE A 185 -7.999 -22.885 -2.433 1.00 31.44 N ATOM 1564 CA PHE A 185 -8.985 -22.584 -3.435 1.00 30.57 C ATOM 1565 C PHE A 185 -9.685 -23.886 -3.827 1.00 31.14 C ATOM 1566 O PHE A 185 -9.038 -24.838 -4.260 1.00 31.36 O ATOM 1567 CB PHE A 185 -8.289 -22.050 -4.666 1.00 29.75 C ATOM 1568 CG PHE A 185 -7.409 -20.889 -4.417 1.00 28.65 C ATOM 1569 CD1 PHE A 185 -7.925 -19.592 -4.422 1.00 28.25 C ATOM 1570 CD2 PHE A 185 -6.053 -21.061 -4.262 1.00 28.35 C ATOM 1571 CE1 PHE A 185 -7.091 -18.497 -4.212 1.00 27.34 C ATOM 1572 CE2 PHE A 185 -5.234 -19.966 -4.085 1.00 27.80 C ATOM 1573 CZ PHE A 185 -5.751 -18.694 -4.065 1.00 27.06 C ATOM 1574 H PHE A 185 -7.257 -23.582 -2.645 1.00 0.00 H ATOM 1575 N GLN A 186 -11.003 -23.926 -3.706 1.00 31.52 N ATOM 1576 CA GLN A 186 -11.744 -25.106 -4.087 1.00 32.31 C ATOM 1577 C GLN A 186 -12.519 -24.903 -5.361 1.00 32.87 C ATOM 1578 O GLN A 186 -13.274 -23.961 -5.462 1.00 32.72 O ATOM 1579 CB GLN A 186 -12.705 -25.469 -2.995 1.00 32.84 C ATOM 1580 CG GLN A 186 -13.388 -26.812 -3.224 1.00 33.61 C ATOM 1581 CD GLN A 186 -14.599 -26.934 -2.344 1.00 34.15 C ATOM 1582 OE1 GLN A 186 -15.063 -25.928 -1.760 1.00 32.80 O ATOM 1583 NE2 GLN A 186 -15.114 -28.165 -2.209 1.00 35.53 N ATOM 1584 HE22 GLN A 186 -14.688 -28.966 -2.718 1.00 0.00 H ATOM 1585 HE21 GLN A 186 -15.939 -28.319 -1.595 1.00 0.00 H ATOM 1586 H GLN A 186 -11.510 -23.099 -3.332 1.00 0.00 H ATOM 1587 N ASP A 187 -12.321 -25.814 -6.315 1.00 34.10 N ATOM 1588 CA ASP A 187 -13.093 -25.895 -7.546 1.00 34.93 C ATOM 1589 C ASP A 187 -14.062 -27.048 -7.435 1.00 36.14 C ATOM 1590 O ASP A 187 -13.640 -28.152 -7.108 1.00 36.64 O ATOM 1591 CB ASP A 187 -12.191 -26.205 -8.751 1.00 35.54 C ATOM 1592 CG ASP A 187 -12.997 -26.625 -9.983 1.00 37.10 C ATOM 1593 OD1 ASP A 187 -13.686 -25.744 -10.554 1.00 37.88 O ATOM 1594 OD2 ASP A 187 -13.007 -27.834 -10.358 1.00 38.41 O ATOM 1595 H ASP A 187 -11.565 -26.513 -6.169 1.00 0.00 H ATOM 1596 N VAL A 188 -15.334 -26.807 -7.780 1.00 36.63 N ATOM 1597 CA VAL A 188 -16.355 -27.857 -7.835 1.00 37.62 C ATOM 1598 C VAL A 188 -17.001 -28.008 -9.202 1.00 37.79 C ATOM 1599 O VAL A 188 -18.141 -28.418 -9.276 1.00 38.65 O ATOM 1600 CB VAL A 188 -17.474 -27.621 -6.813 1.00 38.29 C ATOM 1601 CG1 VAL A 188 -16.947 -27.846 -5.402 1.00 38.34 C ATOM 1602 CG2 VAL A 188 -18.056 -26.223 -6.964 1.00 37.44 C ATOM 1603 H VAL A 188 -15.609 -25.833 -8.019 1.00 0.00 H ATOM 1604 N GLY A 189 -16.259 -27.706 -10.264 1.00 37.17 N ATOM 1605 CA GLY A 189 -16.700 -27.942 -11.656 1.00 37.65 C ATOM 1606 C GLY A 189 -16.696 -26.700 -12.545 1.00 36.92 C ATOM 1607 O GLY A 189 -17.483 -26.618 -13.479 1.00 37.69 O ATOM 1608 H GLY A 189 -15.322 -27.283 -10.108 1.00 0.00 H ATOM 1609 N ALA A 190 -15.816 -25.736 -12.260 1.00 35.42 N ATOM 1610 CA ALA A 190 -15.688 -24.512 -13.068 1.00 34.27 C ATOM 1611 C ALA A 190 -14.568 -24.727 -14.078 1.00 33.75 C ATOM 1612 O ALA A 190 -13.756 -25.659 -13.911 1.00 34.37 O ATOM 1613 CB ALA A 190 -15.372 -23.311 -12.175 1.00 32.88 C ATOM 1614 H ALA A 190 -15.196 -25.855 -11.434 1.00 0.00 H ATOM 1615 N CYS A 191 -14.541 -23.902 -15.127 1.00 32.75 N ATOM 1616 CA CYS A 191 -13.364 -23.772 -15.992 1.00 32.09 C ATOM 1617 C CYS A 191 -12.603 -22.470 -15.645 1.00 30.05 C ATOM 1618 O CYS A 191 -12.910 -21.418 -16.153 1.00 30.36 O ATOM 1619 CB CYS A 191 -13.766 -23.784 -17.463 1.00 33.53 C ATOM 1620 SG CYS A 191 -12.414 -24.101 -18.632 1.00 34.44 S ATOM 1621 H CYS A 191 -15.384 -23.331 -15.338 1.00 0.00 H ATOM 1622 N ILE A 192 -11.571 -22.576 -14.824 1.00 28.35 N ATOM 1623 CA ILE A 192 -11.016 -21.420 -14.122 1.00 27.02 C ATOM 1624 C ILE A 192 -9.505 -21.345 -14.281 1.00 25.90 C ATOM 1625 O ILE A 192 -8.802 -22.354 -14.192 1.00 26.15 O ATOM 1626 CB ILE A 192 -11.453 -21.409 -12.630 1.00 26.59 C ATOM 1627 CG1 ILE A 192 -10.856 -20.223 -11.850 1.00 26.20 C ATOM 1628 CG2 ILE A 192 -11.150 -22.710 -11.938 1.00 26.85 C ATOM 1629 CD1 ILE A 192 -11.720 -18.971 -11.900 1.00 26.05 C ATOM 1630 H ILE A 192 -11.141 -23.511 -14.673 1.00 0.00 H ATOM 1631 N ALA A 193 -9.036 -20.144 -14.573 1.00 24.66 N ATOM 1632 CA ALA A 193 -7.637 -19.855 -14.600 1.00 24.23 C ATOM 1633 C ALA A 193 -7.369 -18.786 -13.526 1.00 23.97 C ATOM 1634 O ALA A 193 -7.910 -17.652 -13.587 1.00 23.45 O ATOM 1635 CB ALA A 193 -7.226 -19.374 -15.975 1.00 24.18 C ATOM 1636 H ALA A 193 -9.710 -19.382 -14.791 1.00 0.00 H ATOM 1637 N LEU A 194 -6.587 -19.161 -12.508 1.00 24.01 N ATOM 1638 CA LEU A 194 -6.161 -18.189 -11.495 1.00 24.02 C ATOM 1639 C LEU A 194 -4.872 -17.609 -12.002 1.00 24.25 C ATOM 1640 O LEU A 194 -3.866 -18.300 -12.046 1.00 24.37 O ATOM 1641 CB LEU A 194 -5.881 -18.802 -10.142 1.00 24.19 C ATOM 1642 CG LEU A 194 -6.990 -19.498 -9.393 1.00 24.42 C ATOM 1643 CD1 LEU A 194 -6.366 -20.082 -8.132 1.00 24.96 C ATOM 1644 CD2 LEU A 194 -8.133 -18.569 -9.086 1.00 24.28 C ATOM 1645 H LEU A 194 -6.278 -20.151 -12.434 1.00 0.00 H ATOM 1646 N VAL A 195 -4.907 -16.343 -12.395 1.00 24.66 N ATOM 1647 CA VAL A 195 -3.733 -15.739 -12.967 1.00 25.43 C ATOM 1648 C VAL A 195 -2.821 -15.014 -11.946 1.00 25.97 C ATOM 1649 O VAL A 195 -1.609 -15.074 -12.090 1.00 27.67 O ATOM 1650 CB VAL A 195 -4.085 -14.804 -14.147 1.00 25.38 C ATOM 1651 CG1 VAL A 195 -2.810 -14.213 -14.713 1.00 25.89 C ATOM 1652 CG2 VAL A 195 -4.777 -15.580 -15.256 1.00 25.25 C ATOM 1653 H VAL A 195 -5.780 -15.788 -12.290 1.00 0.00 H ATOM 1654 N SER A 196 -3.357 -14.323 -10.958 1.00 25.57 N ATOM 1655 CA SER A 196 -2.498 -13.626 -10.000 1.00 26.17 C ATOM 1656 C SER A 196 -3.166 -13.781 -8.655 1.00 25.85 C ATOM 1657 O SER A 196 -4.398 -13.681 -8.568 1.00 25.38 O ATOM 1658 CB SER A 196 -2.305 -12.148 -10.398 1.00 27.13 C ATOM 1659 OG SER A 196 -2.319 -11.250 -9.287 1.00 27.81 O ATOM 1660 HG SER A 196 -3.189 -11.320 -8.819 1.00 0.00 H ATOM 1661 H SER A 196 -4.391 -14.274 -10.860 1.00 0.00 H ATOM 1662 N VAL A 197 -2.378 -14.171 -7.651 1.00 25.75 N ATOM 1663 CA VAL A 197 -2.793 -14.085 -6.249 1.00 25.78 C ATOM 1664 C VAL A 197 -1.799 -13.169 -5.561 1.00 26.58 C ATOM 1665 O VAL A 197 -0.600 -13.442 -5.562 1.00 26.87 O ATOM 1666 CB VAL A 197 -2.794 -15.461 -5.560 1.00 25.54 C ATOM 1667 CG1 VAL A 197 -3.339 -15.376 -4.141 1.00 25.37 C ATOM 1668 CG2 VAL A 197 -3.636 -16.421 -6.366 1.00 25.20 C ATOM 1669 H VAL A 197 -1.435 -14.550 -7.872 1.00 0.00 H ATOM 1670 N ARG A 198 -2.287 -12.057 -5.040 1.00 27.19 N ATOM 1671 CA ARG A 198 -1.504 -11.191 -4.178 1.00 28.41 C ATOM 1672 C ARG A 198 -2.113 -11.214 -2.787 1.00 28.23 C ATOM 1673 O ARG A 198 -3.323 -11.134 -2.633 1.00 27.72 O ATOM 1674 CB ARG A 198 -1.513 -9.752 -4.686 1.00 29.84 C ATOM 1675 CG ARG A 198 -0.463 -8.864 -4.027 1.00 31.71 C ATOM 1676 CD ARG A 198 -0.291 -7.535 -4.710 1.00 32.94 C ATOM 1677 NE ARG A 198 -0.964 -6.492 -3.951 1.00 34.54 N ATOM 1678 CZ ARG A 198 -0.370 -5.622 -3.130 1.00 36.47 C ATOM 1679 NH1 ARG A 198 0.959 -5.589 -2.944 1.00 37.43 N ATOM 1680 NH2 ARG A 198 -1.125 -4.752 -2.480 1.00 37.61 N ATOM 1681 HE ARG A 198 -1.996 -6.418 -4.057 1.00 0.00 H ATOM 1682 HH12 ARG A 198 1.376 -4.893 -2.294 1.00 0.00 H ATOM 1683 HH11 ARG A 198 1.572 -6.260 -3.450 1.00 0.00 H ATOM 1684 HH22 ARG A 198 -0.687 -4.064 -1.835 1.00 0.00 H ATOM 1685 HH21 ARG A 198 -2.156 -4.756 -2.614 1.00 0.00 H ATOM 1686 H ARG A 198 -3.269 -11.792 -5.256 1.00 0.00 H ATOM 1687 N VAL A 199 -1.272 -11.283 -1.767 1.00 29.03 N ATOM 1688 CA VAL A 199 -1.716 -11.078 -0.390 1.00 28.89 C ATOM 1689 C VAL A 199 -0.938 -9.935 0.234 1.00 29.65 C ATOM 1690 O VAL A 199 0.248 -9.746 -0.019 1.00 30.05 O ATOM 1691 CB VAL A 199 -1.536 -12.348 0.422 1.00 28.89 C ATOM 1692 CG1 VAL A 199 -2.104 -12.188 1.826 1.00 29.18 C ATOM 1693 CG2 VAL A 199 -2.206 -13.498 -0.297 1.00 28.31 C ATOM 1694 H VAL A 199 -0.269 -11.488 -1.950 1.00 0.00 H ATOM 1695 N PHE A 200 -1.617 -9.160 1.051 1.00 29.95 N ATOM 1696 CA PHE A 200 -0.981 -8.023 1.656 1.00 31.32 C ATOM 1697 C PHE A 200 -1.761 -7.532 2.845 1.00 31.58 C ATOM 1698 O PHE A 200 -2.847 -7.993 3.121 1.00 30.38 O ATOM 1699 CB PHE A 200 -0.784 -6.880 0.635 1.00 32.22 C ATOM 1700 CG PHE A 200 -2.056 -6.212 0.192 1.00 32.04 C ATOM 1701 CD1 PHE A 200 -2.788 -6.727 -0.847 1.00 31.47 C ATOM 1702 CD2 PHE A 200 -2.501 -5.054 0.803 1.00 33.01 C ATOM 1703 CE1 PHE A 200 -3.948 -6.107 -1.271 1.00 31.43 C ATOM 1704 CE2 PHE A 200 -3.669 -4.429 0.393 1.00 33.08 C ATOM 1705 CZ PHE A 200 -4.389 -4.953 -0.661 1.00 32.07 C ATOM 1706 H PHE A 200 -2.614 -9.370 1.259 1.00 0.00 H ATOM 1707 N TYR A 201 -1.166 -6.596 3.559 1.00 33.36 N ATOM 1708 CA TYR A 201 -1.821 -5.931 4.653 1.00 34.65 C ATOM 1709 C TYR A 201 -1.476 -4.459 4.520 1.00 36.52 C ATOM 1710 O TYR A 201 -0.636 -4.068 3.716 1.00 36.15 O ATOM 1711 CB TYR A 201 -1.358 -6.520 5.996 1.00 35.29 C ATOM 1712 CG TYR A 201 0.099 -6.276 6.304 1.00 36.68 C ATOM 1713 CD1 TYR A 201 0.524 -5.049 6.837 1.00 38.12 C ATOM 1714 CD2 TYR A 201 1.055 -7.263 6.098 1.00 36.94 C ATOM 1715 CE1 TYR A 201 1.858 -4.817 7.144 1.00 39.48 C ATOM 1716 CE2 TYR A 201 2.398 -7.033 6.408 1.00 38.50 C ATOM 1717 CZ TYR A 201 2.787 -5.807 6.918 1.00 39.53 C ATOM 1718 OH TYR A 201 4.100 -5.575 7.191 1.00 41.03 O ATOM 1719 HH TYR A 201 4.416 -6.229 7.864 1.00 0.00 H ATOM 1720 H TYR A 201 -0.189 -6.330 3.322 1.00 0.00 H ATOM 1721 N LYS A 202 -2.131 -3.641 5.311 1.00 39.18 N ATOM 1722 CA LYS A 202 -1.886 -2.217 5.229 1.00 42.35 C ATOM 1723 C LYS A 202 -1.068 -1.783 6.410 1.00 44.43 C ATOM 1724 O LYS A 202 -1.499 -1.914 7.551 1.00 44.47 O ATOM 1725 CB LYS A 202 -3.203 -1.452 5.093 1.00 43.04 C ATOM 1726 CG LYS A 202 -3.898 -1.756 3.768 1.00 42.58 C ATOM 1727 CD LYS A 202 -5.359 -1.315 3.768 1.00 43.51 C ATOM 1728 CE LYS A 202 -6.081 -1.708 2.472 1.00 43.38 C ATOM 1729 NZ LYS A 202 -7.573 -1.643 2.618 1.00 43.90 N ATOM 1730 HZ1 LYS A 202 -7.875 -2.295 3.370 1.00 0.00 H ATOM 1731 HZ2 LYS A 202 -7.854 -0.673 2.866 1.00 0.00 H ATOM 1732 HZ3 LYS A 202 -8.020 -1.916 1.720 1.00 0.00 H ATOM 1733 H LYS A 202 -2.822 -4.014 5.993 1.00 0.00 H ATOM 1734 N LYS A 203 0.151 -1.332 6.109 1.00 47.32 N ATOM 1735 CA LYS A 203 1.087 -0.761 7.091 1.00 50.46 C ATOM 1736 C LYS A 203 0.528 0.613 7.439 1.00 53.21 C ATOM 1737 O LYS A 203 0.634 1.579 6.665 1.00 52.54 O ATOM 1738 CB LYS A 203 2.494 -0.686 6.498 1.00 51.46 C ATOM 1739 CG LYS A 203 3.550 0.030 7.320 1.00 53.60 C ATOM 1740 CD LYS A 203 4.905 -0.013 6.603 1.00 54.80 C ATOM 1741 CE LYS A 203 4.902 0.796 5.291 1.00 55.26 C ATOM 1742 NZ LYS A 203 5.296 0.041 4.045 1.00 54.14 N ATOM 1743 HZ1 LYS A 203 6.263 -0.327 4.155 1.00 0.00 H ATOM 1744 HZ2 LYS A 203 4.637 -0.750 3.898 1.00 0.00 H ATOM 1745 HZ3 LYS A 203 5.259 0.682 3.227 1.00 0.00 H ATOM 1746 H LYS A 203 0.460 -1.387 5.117 1.00 0.00 H ATOM 1747 N ALA A 204 -0.069 0.657 8.631 1.00 55.99 N ATOM 1748 CA ALA A 204 -1.204 1.518 8.949 1.00 58.61 C ATOM 1749 C ALA A 204 -2.028 0.791 10.033 1.00 59.26 C ATOM 1750 O ALA A 204 -3.078 0.160 9.789 1.00 59.43 O ATOM 1751 CB ALA A 204 -2.069 1.781 7.697 1.00 58.12 C ATOM 1752 OXT ALA A 204 -1.639 0.793 11.199 1.00 61.14 O ATOM 1753 H ALA A 204 0.298 0.038 9.382 1.00 0.00 H TER 1754 ALA A 204 HETATM 1755 O HOH 1 -23.873 -19.864 -18.546 1.00 43.53 O HETATM 1756 O HOH 2 -6.326 -12.334 -30.775 1.00 35.85 O HETATM 1757 O HOH 3 13.749 -16.457 -24.777 1.00 34.56 O HETATM 1758 O HOH 4 -19.207 -15.983 -12.547 1.00 38.26 O HETATM 1759 O HOH 5 -12.306 -33.605 -7.823 1.00 41.99 O HETATM 1760 O HOH 6 2.441 -10.712 -31.315 1.00 37.92 O HETATM 1761 O HOH 7 5.008 -8.762 -21.300 1.00 35.15 O HETATM 1762 O HOH 8 -14.016 -37.174 -10.707 1.00 44.16 O HETATM 1763 O HOH 9 4.229 -2.341 -3.373 1.00 40.28 O HETATM 1764 O HOH 10 -3.726 -5.009 10.525 1.00 24.44 O HETATM 1765 O HOH 11 -13.761 -10.156 2.611 1.00 45.23 O HETATM 1766 O HOH 12 4.632 -15.455 -12.017 1.00 32.05 O HETATM 1767 O HOH 13 1.216 -27.676 -7.876 1.00 23.49 O HETATM 1768 O HOH 14 -1.928 -33.210 -1.650 1.00 33.55 O HETATM 1769 O HOH 15 -4.221 -37.393 -5.038 1.00 32.20 O HETATM 1770 O HOH 16 0.627 -28.910 -12.198 1.00 22.60 O HETATM 1771 O HOH 17 -14.637 -9.523 -10.871 1.00 23.51 O HETATM 1772 O HOH 18 -11.560 -6.249 1.150 1.00 30.56 O HETATM 1773 O HOH 19 -13.337 -28.459 -13.525 1.00 39.35 O HETATM 1774 O HOH 20 0.792 -15.349 -11.435 1.00 25.78 O HETATM 1775 O HOH 21 -2.684 -16.208 11.116 1.00 42.18 O HETATM 1776 O HOH 22 -4.437 -31.898 -10.096 1.00 25.02 O HETATM 1777 O HOH 23 -6.494 -30.335 -7.412 1.00 30.15 O HETATM 1778 O HOH 24 -15.786 -24.111 -8.699 1.00 27.55 O HETATM 1779 O HOH 25 -14.233 -31.684 -18.702 1.00 34.96 O HETATM 1780 O HOH 26 -18.598 -30.591 -13.438 1.00 36.92 O HETATM 1781 O HOH 27 -3.753 -10.615 -7.729 1.00 27.60 O HETATM 1782 O HOH 28 -4.110 0.810 0.749 1.00 36.63 O HETATM 1783 O HOH 29 -13.504 -7.158 -5.284 1.00 37.13 O HETATM 1784 O HOH 30 5.401 -16.275 4.159 1.00 38.67 O HETATM 1785 O HOH 31 -7.545 -15.268 14.822 1.00 32.73 O HETATM 1786 O HOH 32 -6.857 -32.797 -15.895 1.00 59.13 O HETATM 1787 O HOH 33 7.911 -24.912 -3.706 1.00 38.77 O HETATM 1788 O HOH 34 -8.292 -30.092 -15.671 1.00 47.63 O HETATM 1789 O HOH 35 -0.568 -3.941 -18.590 1.00 25.53 O HETATM 1790 O HOH 36 -19.154 -11.516 -1.539 1.00 33.75 O HETATM 1791 O HOH 37 -10.399 -33.589 -2.749 1.00 45.28 O HETATM 1792 O HOH 38 3.955 -6.369 -22.624 1.00 40.59 O HETATM 1793 O HOH 39 -8.279 -32.496 1.503 1.00 46.12 O HETATM 1794 O HOH 40 -3.818 -4.683 7.518 1.00 37.03 O HETATM 1795 O HOH 41 2.550 -20.173 -1.312 1.00 35.48 O HETATM 1796 O HOH 42 4.332 -22.890 -14.630 1.00 37.19 O HETATM 1797 O HOH 43 -14.427 -14.539 -15.956 1.00 25.09 O HETATM 1798 O HOH 44 0.274 -31.632 -8.338 1.00 34.00 O HETATM 1799 O HOH 45 -8.503 -20.870 10.918 1.00 45.94 O HETATM 1800 O HOH 46 1.794 -5.125 11.267 1.00 45.39 O HETATM 1801 O HOH 47 1.440 3.241 8.953 1.00 44.48 O HETATM 1802 O HOH 48 1.020 -17.457 17.924 1.00 39.49 O HETATM 1803 O HOH 49 -12.471 -29.069 -27.914 1.00 41.46 O HETATM 1804 O HOH 50 -8.770 -12.782 -21.557 1.00 36.35 O HETATM 1805 O HOH 51 -11.127 -29.736 -25.407 1.00 43.52 O HETATM 1806 O HOH 52 -10.692 -28.553 -29.880 1.00 46.60 O HETATM 1807 N ALA A 53 -7.905 -34.530 -18.953 1.00 0.24 N HETATM 1808 CA ALA A 53 -7.544 -33.323 -19.748 1.00 0.06 C HETATM 1809 C ALA A 53 -8.473 -32.174 -19.385 1.00 0.23 C HETATM 1810 O ALA A 53 -9.676 -32.384 -19.161 1.00 -0.39 O HETATM 1811 N ALA A 53 -7.921 -30.958 -19.276 1.00 -0.25 N HETATM 1812 CA ALA A 53 -8.850 -29.856 -19.183 1.00 0.13 C HETATM 1813 C ALA A 53 -9.554 -29.668 -20.532 1.00 0.20 C HETATM 1814 O ALA A 53 -8.907 -29.788 -21.586 1.00 -0.39 O HETATM 1815 N ALA A 53 -10.851 -29.370 -20.496 1.00 -0.26 N HETATM 1816 CA ALA A 53 -11.589 -29.014 -21.714 1.00 0.14 C HETATM 1817 C ALA A 53 -10.891 -27.811 -22.409 1.00 0.21 C HETATM 1818 O ALA A 53 -10.525 -27.913 -23.572 1.00 -0.39 O HETATM 1819 N ALA A 53 -10.675 -26.705 -21.702 1.00 -0.26 N HETATM 1820 CA ALA A 53 -9.894 -25.569 -22.260 1.00 0.14 C HETATM 1821 C ALA A 53 -8.665 -25.238 -21.460 1.00 0.20 C HETATM 1822 O ALA A 53 -8.617 -25.527 -20.284 1.00 -0.39 O HETATM 1823 N ALA A 53 -7.711 -24.563 -22.081 1.00 -0.26 N HETATM 1824 CA ALA A 53 -6.557 -23.998 -21.376 1.00 0.13 C HETATM 1825 C ALA A 53 -6.268 -22.513 -21.726 1.00 0.20 C HETATM 1826 O ALA A 53 -6.034 -22.160 -22.876 1.00 -0.39 O HETATM 1827 N ALA A 53 -6.271 -21.644 -20.718 1.00 -0.26 N HETATM 1828 CA ALA A 53 -5.974 -20.216 -20.909 1.00 0.14 C HETATM 1829 C ALA A 53 -4.479 -19.958 -21.016 1.00 0.21 C HETATM 1830 O ALA A 53 -3.751 -20.106 -20.045 1.00 -0.39 O HETATM 1831 N ALA A 53 -4.009 -19.561 -22.204 1.00 -0.26 N HETATM 1832 CA ALA A 53 -2.605 -19.167 -22.358 1.00 0.13 C HETATM 1833 C ALA A 53 -2.445 -17.707 -22.734 1.00 0.20 C HETATM 1834 O ALA A 53 -1.504 -17.354 -23.433 1.00 -0.39 O HETATM 1835 N ALA A 53 -3.328 -16.859 -22.216 1.00 -0.27 N HETATM 1836 CA ALA A 53 -3.409 -15.454 -22.629 1.00 0.12 C HETATM 1837 C ALA A 53 -4.752 -15.212 -23.285 1.00 0.20 C HETATM 1838 O ALA A 53 -5.211 -14.073 -23.411 1.00 -0.39 O HETATM 1839 N ALA A 53 -5.376 -16.326 -23.675 1.00 -0.26 N HETATM 1840 CA ALA A 53 -6.656 -16.384 -24.361 1.00 0.15 C HETATM 1841 C ALA A 53 -7.116 -17.820 -24.184 1.00 0.21 C HETATM 1842 O ALA A 53 -6.296 -18.735 -24.075 1.00 -0.39 O HETATM 1843 N ALA A 53 -8.416 -18.018 -24.139 1.00 -0.26 N HETATM 1844 CA ALA A 53 -8.955 -19.336 -23.990 1.00 0.14 C HETATM 1845 C ALA A 53 -8.799 -20.119 -25.265 1.00 0.21 C HETATM 1846 O ALA A 53 -8.594 -19.579 -26.338 1.00 -0.39 O HETATM 1847 N ALA A 53 -8.894 -21.416 -25.146 1.00 -0.26 N HETATM 1848 CA ALA A 53 -8.297 -22.256 -26.147 1.00 0.15 C HETATM 1849 C ALA A 53 -8.758 -23.667 -25.883 1.00 0.21 C HETATM 1850 O ALA A 53 -8.153 -24.406 -25.109 1.00 -0.39 O HETATM 1851 N ALA A 53 -9.883 -23.994 -26.509 1.00 -0.27 N HETATM 1852 CA ALA A 53 -10.636 -25.216 -26.226 1.00 0.10 C HETATM 1853 C ALA A 53 -10.489 -26.202 -27.359 1.00 0.06 C HETATM 1854 O ALA A 53 -9.388 -26.347 -27.880 1.00 -0.57 O HETATM 1855 OXT ALA A 53 -11.442 -26.870 -27.750 1.00 -0.57 O HETATM 1856 CB ALA A 53 -12.110 -24.880 -25.974 1.00 0.04 C HETATM 1857 SG ALA A 53 -12.286 -23.560 -24.741 1.00 -0.09 S HETATM 1858 SG ALA A 53 -12.392 -24.479 -22.891 1.00 -0.09 S HETATM 1859 CB ALA A 53 -10.726 -24.291 -22.266 1.00 0.04 C HETATM 1860 H ALA A 53 -10.208 -23.549 -22.892 1.00 0.04 H HETATM 1861 H ALA A 53 -10.789 -23.919 -21.233 1.00 0.04 H HETATM 1862 H ALA A 53 -12.625 -25.781 -25.610 1.00 0.04 H HETATM 1863 H ALA A 53 -12.569 -24.551 -26.918 1.00 0.04 H HETATM 1864 H ALA A 53 -10.225 -25.675 -25.315 1.00 0.07 H HETATM 1865 H ALA A 53 -10.233 -23.373 -27.210 1.00 0.19 H HETATM 1866 CB ALA A 53 -6.780 -22.096 -26.041 1.00 0.08 C HETATM 1867 OG ALA A 53 -6.098 -23.248 -26.428 1.00 -0.39 O HETATM 1868 H ALA A 53 -6.358 -23.971 -25.869 1.00 0.21 H HETATM 1869 H ALA A 53 -6.521 -21.865 -24.997 1.00 0.06 H HETATM 1870 H ALA A 53 -6.466 -21.265 -26.689 1.00 0.06 H HETATM 1871 H ALA A 53 -8.625 -21.948 -27.151 1.00 0.08 H HETATM 1872 H ALA A 53 -9.376 -21.819 -24.368 1.00 0.19 H HETATM 1873 CB ALA A 53 -10.406 -19.270 -23.577 1.00 0.00 C HETATM 1874 CG ALA A 53 -10.535 -19.003 -22.135 1.00 -0.04 C HETATM 1875 CD1 ALA A 53 -10.955 -17.851 -21.545 1.00 0.02 C HETATM 1876 NE1 ALA A 53 -10.943 -17.992 -20.180 1.00 -0.29 N HETATM 1877 CE2 ALA A 53 -10.500 -19.251 -19.870 1.00 0.06 C HETATM 1878 CD2 ALA A 53 -10.225 -19.910 -21.080 1.00 -0.02 C HETATM 1879 CE3 ALA A 53 -9.728 -21.208 -21.042 1.00 -0.07 C HETATM 1880 CZ3 ALA A 53 -9.547 -21.808 -19.808 1.00 -0.08 C HETATM 1881 CH2 ALA A 53 -9.831 -21.131 -18.622 1.00 -0.08 C HETATM 1882 CZ2 ALA A 53 -10.311 -19.854 -18.632 1.00 -0.04 C HETATM 1883 H ALA A 53 -10.536 -19.330 -17.710 1.00 0.05 H HETATM 1884 H ALA A 53 -9.667 -21.630 -17.674 1.00 0.05 H HETATM 1885 H ALA A 53 -9.177 -22.826 -19.762 1.00 0.05 H HETATM 1886 H ALA A 53 -9.488 -21.737 -21.957 1.00 0.05 H HETATM 1887 H ALA A 53 -11.221 -17.270 -19.500 1.00 0.22 H HETATM 1888 H ALA A 53 -11.256 -16.950 -22.078 1.00 0.08 H HETATM 1889 H ALA A 53 -10.890 -20.230 -23.809 1.00 0.04 H HETATM 1890 H ALA A 53 -10.903 -18.464 -24.137 1.00 0.04 H HETATM 1891 H ALA A 53 -8.393 -19.852 -23.197 1.00 0.08 H HETATM 1892 H ALA A 53 -9.036 -17.237 -24.210 1.00 0.19 H HETATM 1893 CB ALA A 53 -6.477 -16.109 -25.852 1.00 0.08 C HETATM 1894 OG ALA A 53 -5.730 -17.153 -26.472 1.00 -0.39 O HETATM 1895 H ALA A 53 -6.190 -17.977 -26.365 1.00 0.21 H HETATM 1896 H ALA A 53 -5.942 -15.157 -25.982 1.00 0.06 H HETATM 1897 H ALA A 53 -7.466 -16.042 -26.328 1.00 0.06 H HETATM 1898 H ALA A 53 -7.373 -15.673 -23.925 1.00 0.08 H HETATM 1899 H ALA A 53 -4.923 -17.196 -23.478 1.00 0.19 H HETATM 1900 H ALA A 53 -2.603 -15.232 -23.345 1.00 0.08 H HETATM 1901 H ALA A 53 -3.306 -14.804 -21.748 1.00 0.08 H HETATM 1902 H ALA A 53 -3.962 -17.192 -21.518 1.00 0.19 H HETATM 1903 CB ALA A 53 -1.892 -20.078 -23.363 1.00 -0.01 C HETATM 1904 CG ALA A 53 -1.511 -21.397 -22.728 1.00 -0.02 C HETATM 1905 CD ALA A 53 -1.085 -22.433 -23.748 1.00 0.06 C HETATM 1906 NE ALA A 53 -1.264 -23.788 -23.209 1.00 -0.27 N HETATM 1907 CZ ALA A 53 -0.469 -24.369 -22.310 1.00 0.29 C HETATM 1908 NH1 ALA A 53 0.600 -23.740 -21.811 1.00 -0.28 N HETATM 1909 H ALA A 53 1.198 -24.212 -21.117 1.00 0.26 H HETATM 1910 H ALA A 53 0.826 -22.784 -22.120 1.00 0.26 H HETATM 1911 NH2 ALA A 53 -0.746 -25.609 -21.915 1.00 -0.28 N HETATM 1912 H ALA A 53 -1.568 -26.099 -22.296 1.00 0.26 H HETATM 1913 H ALA A 53 -0.138 -26.079 -21.229 1.00 0.26 H HETATM 1914 H ALA A 53 -2.068 -24.332 -23.553 1.00 0.26 H HETATM 1915 H ALA A 53 -0.025 -22.280 -23.999 1.00 0.07 H HETATM 1916 H ALA A 53 -1.696 -22.321 -24.655 1.00 0.07 H HETATM 1917 H ALA A 53 -2.378 -21.785 -22.173 1.00 0.03 H HETATM 1918 H ALA A 53 -0.677 -21.225 -22.031 1.00 0.03 H HETATM 1919 H ALA A 53 -0.981 -19.575 -23.720 1.00 0.03 H HETATM 1920 H ALA A 53 -2.563 -20.269 -24.213 1.00 0.03 H HETATM 1921 H ALA A 53 -2.118 -19.306 -21.381 1.00 0.08 H HETATM 1922 H ALA A 53 -4.621 -19.533 -22.994 1.00 0.19 H HETATM 1923 CB ALA A 53 -6.555 -19.413 -19.759 1.00 0.02 C HETATM 1924 CG ALA A 53 -6.583 -17.906 -19.982 1.00 -0.05 C HETATM 1925 CD1 ALA A 53 -7.461 -17.330 -20.891 1.00 -0.07 C HETATM 1926 CE1 ALA A 53 -7.490 -15.963 -21.095 1.00 -0.04 C HETATM 1927 CZ ALA A 53 -6.634 -15.146 -20.365 1.00 0.08 C HETATM 1928 CE2 ALA A 53 -5.744 -15.698 -19.463 1.00 -0.04 C HETATM 1929 CD2 ALA A 53 -5.729 -17.062 -19.260 1.00 -0.07 C HETATM 1930 H ALA A 53 -5.047 -17.487 -18.532 1.00 0.05 H HETATM 1931 H ALA A 53 -5.059 -15.060 -18.916 1.00 0.05 H HETATM 1932 OH ALA A 53 -6.621 -13.796 -20.557 1.00 -0.34 O HETATM 1933 H ALA A 53 -7.281 -13.562 -21.199 1.00 0.25 H HETATM 1934 H ALA A 53 -8.174 -15.532 -21.817 1.00 0.05 H HETATM 1935 H ALA A 53 -8.137 -17.965 -21.452 1.00 0.05 H HETATM 1936 H ALA A 53 -5.952 -19.615 -18.861 1.00 0.05 H HETATM 1937 H ALA A 53 -7.588 -19.753 -19.591 1.00 0.05 H HETATM 1938 H ALA A 53 -6.449 -19.886 -21.845 1.00 0.08 H HETATM 1939 H ALA A 53 -6.483 -21.974 -19.798 1.00 0.19 H HETATM 1940 CB ALA A 53 -5.322 -24.856 -21.663 1.00 -0.01 C HETATM 1941 CG1 ALA A 53 -4.113 -24.376 -20.870 1.00 -0.06 C HETATM 1942 H ALA A 53 -3.247 -25.014 -21.100 1.00 0.02 H HETATM 1943 H ALA A 53 -4.334 -24.433 -19.794 1.00 0.02 H HETATM 1944 H ALA A 53 -3.885 -23.335 -21.143 1.00 0.02 H HETATM 1945 CG2 ALA A 53 -5.636 -26.306 -21.327 1.00 -0.06 C HETATM 1946 H ALA A 53 -6.510 -26.636 -21.907 1.00 0.02 H HETATM 1947 H ALA A 53 -5.855 -26.394 -20.253 1.00 0.02 H HETATM 1948 H ALA A 53 -4.770 -26.936 -21.578 1.00 0.02 H HETATM 1949 H ALA A 53 -5.085 -24.783 -22.735 1.00 0.03 H HETATM 1950 H ALA A 53 -6.770 -24.047 -20.298 1.00 0.08 H HETATM 1951 H ALA A 53 -7.780 -24.433 -23.070 1.00 0.19 H HETATM 1952 H ALA A 53 -9.599 -25.827 -23.288 1.00 0.08 H HETATM 1953 H ALA A 53 -11.046 -26.636 -20.776 1.00 0.19 H HETATM 1954 CB ALA A 53 -13.074 -28.754 -21.365 1.00 0.02 C HETATM 1955 CG ALA A 53 -14.061 -28.567 -22.513 1.00 -0.05 C HETATM 1956 CD1 ALA A 53 -13.829 -27.651 -23.530 1.00 -0.07 C HETATM 1957 CE1 ALA A 53 -14.731 -27.468 -24.555 1.00 -0.04 C HETATM 1958 CZ ALA A 53 -15.904 -28.187 -24.565 1.00 0.08 C HETATM 1959 CE2 ALA A 53 -16.171 -29.095 -23.556 1.00 -0.04 C HETATM 1960 CD2 ALA A 53 -15.259 -29.266 -22.536 1.00 -0.07 C HETATM 1961 H ALA A 53 -15.483 -29.961 -21.735 1.00 0.05 H HETATM 1962 H ALA A 53 -17.091 -29.668 -23.567 1.00 0.05 H HETATM 1963 OH ALA A 53 -16.799 -27.997 -25.589 1.00 -0.34 O HETATM 1964 H ALA A 53 -17.628 -27.700 -25.233 1.00 0.25 H HETATM 1965 H ALA A 53 -14.518 -26.762 -25.349 1.00 0.05 H HETATM 1966 H ALA A 53 -12.916 -27.066 -23.517 1.00 0.05 H HETATM 1967 H ALA A 53 -13.110 -27.842 -20.752 1.00 0.05 H HETATM 1968 H ALA A 53 -13.424 -29.610 -20.770 1.00 0.05 H HETATM 1969 H ALA A 53 -11.553 -29.868 -22.407 1.00 0.08 H HETATM 1970 H ALA A 53 -11.333 -29.389 -19.620 1.00 0.19 H HETATM 1971 CB ALA A 53 -7.949 -28.647 -18.857 1.00 -0.01 C HETATM 1972 CG ALA A 53 -6.577 -29.036 -19.270 1.00 -0.03 C HETATM 1973 CD ALA A 53 -6.514 -30.536 -19.150 1.00 0.04 C HETATM 1974 H ALA A 53 -5.902 -30.968 -19.955 1.00 0.05 H HETATM 1975 H ALA A 53 -6.101 -30.834 -18.175 1.00 0.05 H HETATM 1976 H ALA A 53 -5.832 -28.569 -18.609 1.00 0.03 H HETATM 1977 H ALA A 53 -6.389 -28.728 -20.309 1.00 0.03 H HETATM 1978 H ALA A 53 -7.976 -28.430 -17.779 1.00 0.03 H HETATM 1979 H ALA A 53 -8.280 -27.761 -19.418 1.00 0.03 H HETATM 1980 H ALA A 53 -9.594 -30.022 -18.390 1.00 0.08 H HETATM 1981 CB ALA A 53 -7.613 -33.617 -21.242 1.00 -0.00 C HETATM 1982 H ALA A 53 -7.343 -32.712 -21.806 1.00 0.03 H HETATM 1983 H ALA A 53 -8.635 -33.924 -21.509 1.00 0.03 H HETATM 1984 H ALA A 53 -6.911 -34.427 -21.489 1.00 0.03 H HETATM 1985 H ALA A 53 -6.513 -33.034 -19.498 1.00 0.11 H HETATM 1986 H ALA A 53 -7.288 -35.289 -19.196 1.00 0.20 H HETATM 1987 H ALA A 53 -8.857 -34.793 -19.155 1.00 0.20 H HETATM 1988 H ALA A 53 -7.814 -34.325 -17.970 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 433 432 1620 CONECT 807 806 885 CONECT 885 807 884 CONECT 1620 433 1619 CONECT 1807 1808 1986 1987 1988 CONECT 1808 1807 1809 1981 1985 CONECT 1809 1808 1810 1811 CONECT 1810 1809 CONECT 1811 1809 1812 1973 CONECT 1812 1811 1813 1971 1980 CONECT 1813 1812 1814 1815 CONECT 1814 1813 CONECT 1815 1813 1816 1970 CONECT 1816 1815 1817 1954 1969 CONECT 1817 1816 1818 1819 CONECT 1818 1817 CONECT 1819 1817 1820 1953 CONECT 1820 1819 1821 1859 1952 CONECT 1821 1820 1822 1823 CONECT 1822 1821 CONECT 1823 1821 1824 1951 CONECT 1824 1823 1825 1940 1950 CONECT 1825 1824 1826 1827 CONECT 1826 1825 CONECT 1827 1825 1828 1939 CONECT 1828 1827 1829 1923 1938 CONECT 1829 1828 1830 1831 CONECT 1830 1829 CONECT 1831 1829 1832 1922 CONECT 1832 1831 1833 1903 1921 CONECT 1833 1832 1834 1835 CONECT 1834 1833 CONECT 1835 1833 1836 1902 CONECT 1836 1835 1837 1900 1901 CONECT 1837 1836 1838 1839 CONECT 1838 1837 CONECT 1839 1837 1840 1899 CONECT 1840 1839 1841 1893 1898 CONECT 1841 1840 1842 1843 CONECT 1842 1841 CONECT 1843 1841 1844 1892 CONECT 1844 1843 1845 1873 1891 CONECT 1845 1844 1846 1847 CONECT 1846 1845 CONECT 1847 1845 1848 1872 CONECT 1848 1847 1849 1866 1871 CONECT 1849 1848 1850 1851 CONECT 1850 1849 CONECT 1851 1849 1852 1865 CONECT 1852 1851 1853 1856 1864 CONECT 1853 1852 1854 1855 CONECT 1854 1853 CONECT 1855 1853 CONECT 1856 1852 1857 1862 1863 CONECT 1857 1856 1858 CONECT 1858 1857 1859 CONECT 1859 1820 1858 1860 1861 CONECT 1860 1859 CONECT 1861 1859 CONECT 1862 1856 CONECT 1863 1856 CONECT 1864 1852 CONECT 1865 1851 CONECT 1866 1848 1867 1869 1870 CONECT 1867 1866 1868 CONECT 1868 1867 CONECT 1869 1866 CONECT 1870 1866 CONECT 1871 1848 CONECT 1872 1847 CONECT 1873 1844 1874 1889 1890 CONECT 1874 1873 1875 1878 CONECT 1875 1874 1876 1888 CONECT 1876 1875 1877 1887 CONECT 1877 1876 1878 1882 CONECT 1878 1874 1877 1879 CONECT 1879 1878 1880 1886 CONECT 1880 1879 1881 1885 CONECT 1881 1880 1882 1884 CONECT 1882 1877 1881 1883 CONECT 1883 1882 CONECT 1884 1881 CONECT 1885 1880 CONECT 1886 1879 CONECT 1887 1876 CONECT 1888 1875 CONECT 1889 1873 CONECT 1890 1873 CONECT 1891 1844 CONECT 1892 1843 CONECT 1893 1840 1894 1896 1897 CONECT 1894 1893 1895 CONECT 1895 1894 CONECT 1896 1893 CONECT 1897 1893 CONECT 1898 1840 CONECT 1899 1839 CONECT 1900 1836 CONECT 1901 1836 CONECT 1902 1835 CONECT 1903 1832 1904 1919 1920 CONECT 1904 1903 1905 1917 1918 CONECT 1905 1904 1906 1915 1916 CONECT 1906 1905 1907 1914 CONECT 1907 1906 1908 1911 CONECT 1908 1907 1909 1910 CONECT 1909 1908 CONECT 1910 1908 CONECT 1911 1907 1912 1913 CONECT 1912 1911 CONECT 1913 1911 CONECT 1914 1906 CONECT 1915 1905 CONECT 1916 1905 CONECT 1917 1904 CONECT 1918 1904 CONECT 1919 1903 CONECT 1920 1903 CONECT 1921 1832 CONECT 1922 1831 CONECT 1923 1828 1924 1936 1937 CONECT 1924 1923 1925 1929 CONECT 1925 1924 1926 1935 CONECT 1926 1925 1927 1934 CONECT 1927 1926 1928 1932 CONECT 1928 1927 1929 1931 CONECT 1929 1924 1928 1930 CONECT 1930 1929 CONECT 1931 1928 CONECT 1932 1927 1933 CONECT 1933 1932 CONECT 1934 1926 CONECT 1935 1925 CONECT 1936 1923 CONECT 1937 1923 CONECT 1938 1828 CONECT 1939 1827 CONECT 1940 1824 1941 1945 1949 CONECT 1941 1940 1942 1943 1944 CONECT 1942 1941 CONECT 1943 1941 CONECT 1944 1941 CONECT 1945 1940 1946 1947 1948 CONECT 1946 1945 CONECT 1947 1945 CONECT 1948 1945 CONECT 1949 1940 CONECT 1950 1824 CONECT 1951 1823 CONECT 1952 1820 CONECT 1953 1819 CONECT 1954 1816 1955 1967 1968 CONECT 1955 1954 1956 1960 CONECT 1956 1955 1957 1966 CONECT 1957 1956 1958 1965 CONECT 1958 1957 1959 1963 CONECT 1959 1958 1960 1962 CONECT 1960 1955 1959 1961 CONECT 1961 1960 CONECT 1962 1959 CONECT 1963 1958 1964 CONECT 1964 1963 CONECT 1965 1957 CONECT 1966 1956 CONECT 1967 1954 CONECT 1968 1954 CONECT 1969 1816 CONECT 1970 1815 CONECT 1971 1812 1972 1978 1979 CONECT 1972 1971 1973 1976 1977 CONECT 1973 1811 1972 1974 1975 CONECT 1974 1973 CONECT 1975 1973 CONECT 1976 1972 CONECT 1977 1972 CONECT 1978 1971 CONECT 1979 1971 CONECT 1980 1812 CONECT 1981 1808 1982 1983 1984 CONECT 1982 1981 CONECT 1983 1981 CONECT 1984 1981 CONECT 1985 1808 CONECT 1986 1807 CONECT 1987 1807 CONECT 1988 1807 MASTER 0 0 0 0 0 0 0 0 1987 1 190 14 END
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Entry Information
PDB ID
4w50
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ephrin type-A receptor 4 EphA4 LBD
Ligand Name
12-mer
EC.Number
E.C.2.7.10.1
Resolution
2.42(Å)
Affinity (Kd/Ki/IC50)
Kd=1400nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 9: pp. 2787-2795
Ligand Properties
Formula
C
6
2
H
8
6
N
1
6
O
1
7
S
2
Molecular Weight
1391.570
Exact Mass
1390.580
No. of atoms
183
No. of bonds
188
Polar Surface Area
589.57
LOGP Value
-0.22 (
Computed with XLOGP3
)
-2.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 6
Canonical SMILES
OC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C)Cc1ccc(cc1)O)C(C)C)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2
InChI String
InChI=1S/C62H84N16O17S2/c1-31(2)50-59(92)73-42(23-34-14-18-37(82)19-15-34)52(85)70-40(10-6-20-66-62(64)65)51(84)68-26-49(83)69-44(27-79)55(88)71-43(24-35-25-67-39-9-5-4-8-38(35)39)54(87)74-45(28-80)56(89)76-47(61(94)95)30-97-96-29-46(57(90)77-50)75-53(86)41(22-33-12-16-36(81)17-13-33)72-58(91)48-11-7-21-78(48)60(93)32(3)63/h4-5,8-9,12-19,25,31-32,40-48,50,67,79-82H,6-7,10-11,20-24,26-30,63H2,1-3H3,(H,68,84)(H,69,83)(H,70,85)(H,71,88)(H,72,91)(H,73,92)(H,74,87)(H,75,86)(H,76,89)(H,77,90)(H,94,95)(H4,64,65,66)/p+2/t32-,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P54764
Entrez Gene ID
NCBI Entrez Gene ID:
2043
ASD
Information of known allosteric effects of PDB entries
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