Browse entries in the PDBbind-CN Database
HEADER 4WX6_COMPLEX COMPND 4WX6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 204 SER GLY SER SER GLU GLN GLU LEU ALA ALA ILE VAL ARG SEQRES 2 A 204 ASP LEU GLY CYS GLY PRO TYR PHE LEU GLY THR HIS ASP SEQRES 3 A 204 LYS ARG PHE PRO GLY PHE LEU ALA GLY ASN LYS LEU ALA SEQRES 4 A 204 CYS ALA ILE VAL ASN THR ALA GLY ARG GLU THR GLY GLY SEQRES 5 A 204 VAL HIS TRP LEU ALA PHE GLY TRP ASN PRO ARG SER ARG SEQRES 6 A 204 THR CYS TYR MET PHE ASP PRO PHE GLY PHE SER ASP ARG SEQRES 7 A 204 ARG LEU LYS GLN ILE TYR SER PHE GLU TYR GLU ALA MET SEQRES 8 A 204 LEU ARG ARG SER ALA LEU ALA LEU SER PRO ASP ARG CYS SEQRES 9 A 204 LEU SER LEU GLU GLN SER THR GLN THR VAL GLN GLY PRO SEQRES 10 A 204 ASP SER ALA ALA CYS GLY LEU PHE CYS CYS MET PHE LEU SEQRES 11 A 204 HIS ALA PHE VAL HIS TRP PRO ASP ARG PRO MET ASP GLY SEQRES 12 A 204 ASN PRO THR MET ASN LEU LEU THR GLY VAL PRO ASN GLY SEQRES 13 A 204 MET LEU GLN SER PRO GLN VAL LEU PRO THR LEU ARG ARG SEQRES 14 A 204 ASN GLN GLU LYS LEU TYR ARG PHE LEU ALA HIS HIS SER SEQRES 15 A 204 PRO TYR PHE ARG SER HIS ARG ALA ALA ILE GLU HIS ALA SEQRES 16 A 204 THR ALA PHE ASP LYS MET LYS GLN LEU HET UNN A 217 69 ATOM 1 N SER A 1 41.888 35.713 24.159 1.00 52.39 N ATOM 2 CA SER A 1 40.531 36.336 24.374 1.00 47.77 C ATOM 3 C SER A 1 39.690 36.311 23.089 1.00 46.26 C ATOM 4 O SER A 1 39.913 37.077 22.143 1.00 39.82 O ATOM 5 CB SER A 1 40.651 37.777 24.942 1.00 55.09 C ATOM 6 OG SER A 1 39.402 38.480 24.928 1.00 48.51 O ATOM 7 HG SER A 1 39.072 38.546 23.997 1.00 0.00 H ATOM 8 HN3 SER A 1 42.397 36.240 23.421 1.00 0.00 H ATOM 9 HN2 SER A 1 41.771 34.724 23.861 1.00 0.00 H ATOM 10 HN1 SER A 1 42.428 35.747 25.047 1.00 0.00 H ATOM 11 N GLY A 2 38.713 35.421 23.061 1.00 44.50 N ATOM 12 CA GLY A 2 37.855 35.291 21.894 1.00 45.84 C ATOM 13 C GLY A 2 38.456 34.610 20.678 1.00 47.55 C ATOM 14 O GLY A 2 39.596 34.090 20.688 1.00 48.58 O ATOM 15 H GLY A 2 38.556 34.806 23.884 1.00 0.00 H ATOM 16 N SER A 3 37.651 34.620 19.626 1.00 43.62 N ATOM 17 CA SER A 3 37.929 33.916 18.410 1.00 40.45 C ATOM 18 C SER A 3 38.325 34.979 17.425 1.00 42.43 C ATOM 19 O SER A 3 37.831 36.117 17.485 1.00 49.42 O ATOM 20 CB SER A 3 36.673 33.186 17.929 1.00 39.30 C ATOM 21 OG SER A 3 35.977 32.515 18.992 1.00 32.68 O ATOM 22 HG SER A 3 35.177 32.062 18.626 1.00 0.00 H ATOM 23 H SER A 3 36.770 35.169 19.686 1.00 0.00 H ATOM 24 N SER A 4 39.241 34.636 16.531 1.00 43.54 N ATOM 25 CA SER A 4 39.774 35.632 15.598 1.00 43.92 C ATOM 26 C SER A 4 39.023 35.472 14.295 1.00 42.45 C ATOM 27 O SER A 4 38.321 34.449 14.109 1.00 36.73 O ATOM 28 CB SER A 4 41.280 35.450 15.388 1.00 36.50 C ATOM 29 OG SER A 4 41.470 34.274 14.633 1.00 34.18 O ATOM 30 HG SER A 4 42.438 34.133 14.483 1.00 0.00 H ATOM 31 H SER A 4 39.583 33.655 16.491 1.00 0.00 H ATOM 32 N GLU A 5 39.161 36.450 13.393 1.00 43.97 N ATOM 33 CA GLU A 5 38.470 36.344 12.104 1.00 48.42 C ATOM 34 C GLU A 5 38.700 34.993 11.386 1.00 49.78 C ATOM 35 O GLU A 5 37.736 34.396 10.885 1.00 49.33 O ATOM 36 CB GLU A 5 38.716 37.550 11.189 1.00 51.24 C ATOM 37 CG GLU A 5 40.152 37.852 10.775 1.00 57.60 C ATOM 38 CD GLU A 5 40.201 38.892 9.662 1.00 62.31 C ATOM 39 OE1 GLU A 5 40.416 40.085 9.966 1.00 63.29 O ATOM 40 OE2 GLU A 5 39.996 38.540 8.472 1.00 64.64 O ATOM 41 H GLU A 5 39.753 37.278 13.604 1.00 0.00 H ATOM 42 N GLN A 6 39.949 34.506 11.367 1.00 49.77 N ATOM 43 CA GLN A 6 40.307 33.222 10.696 1.00 46.79 C ATOM 44 C GLN A 6 39.577 32.047 11.318 1.00 41.60 C ATOM 45 O GLN A 6 39.004 31.229 10.615 1.00 40.00 O ATOM 46 CB GLN A 6 41.810 32.935 10.787 1.00 49.89 C ATOM 47 CG GLN A 6 42.705 34.108 10.407 1.00 55.88 C ATOM 48 CD GLN A 6 43.059 34.959 11.609 1.00 58.83 C ATOM 49 OE1 GLN A 6 43.556 34.442 12.620 1.00 55.07 O ATOM 50 NE2 GLN A 6 42.806 36.272 11.517 1.00 60.06 N ATOM 51 HE22 GLN A 6 42.388 36.661 10.648 1.00 0.00 H ATOM 52 HE21 GLN A 6 43.028 36.901 12.315 1.00 0.00 H ATOM 53 H GLN A 6 40.701 35.046 11.840 1.00 0.00 H ATOM 54 N GLU A 7 39.656 31.972 12.650 1.00 36.75 N ATOM 55 CA GLU A 7 38.961 30.996 13.444 1.00 36.24 C ATOM 56 C GLU A 7 37.521 30.940 12.978 1.00 31.14 C ATOM 57 O GLU A 7 37.033 29.890 12.586 1.00 33.75 O ATOM 58 CB GLU A 7 39.022 31.416 14.914 1.00 38.70 C ATOM 59 CG GLU A 7 38.732 30.320 15.941 1.00 44.38 C ATOM 60 CD GLU A 7 39.392 30.623 17.300 1.00 48.61 C ATOM 61 OE1 GLU A 7 38.738 30.390 18.350 1.00 51.29 O ATOM 62 OE2 GLU A 7 40.551 31.149 17.328 1.00 42.36 O ATOM 63 H GLU A 7 40.258 32.663 13.143 1.00 0.00 H ATOM 64 N LEU A 8 36.847 32.079 12.999 1.00 27.92 N ATOM 65 CA LEU A 8 35.404 32.103 12.638 1.00 28.50 C ATOM 66 C LEU A 8 35.158 31.762 11.174 1.00 26.98 C ATOM 67 O LEU A 8 34.245 30.953 10.823 1.00 20.94 O ATOM 68 CB LEU A 8 34.771 33.447 12.978 1.00 25.51 C ATOM 69 CG LEU A 8 34.892 33.868 14.424 1.00 25.22 C ATOM 70 CD1 LEU A 8 33.736 34.800 14.653 1.00 24.45 C ATOM 71 CD2 LEU A 8 34.739 32.628 15.292 1.00 25.47 C ATOM 72 H LEU A 8 37.328 32.961 13.269 1.00 0.00 H ATOM 73 N ALA A 9 35.984 32.383 10.325 1.00 29.84 N ATOM 74 CA ALA A 9 35.907 32.124 8.885 1.00 30.00 C ATOM 75 C ALA A 9 36.080 30.631 8.623 1.00 31.77 C ATOM 76 O ALA A 9 35.329 30.059 7.828 1.00 32.74 O ATOM 77 CB ALA A 9 36.933 32.954 8.135 1.00 30.55 C ATOM 78 H ALA A 9 36.688 33.056 10.690 1.00 0.00 H ATOM 79 N ALA A 10 37.044 29.985 9.293 1.00 32.24 N ATOM 80 CA ALA A 10 37.200 28.521 9.109 1.00 30.36 C ATOM 81 C ALA A 10 36.012 27.727 9.613 1.00 28.13 C ATOM 82 O ALA A 10 35.543 26.824 8.938 1.00 31.82 O ATOM 83 CB ALA A 10 38.470 28.006 9.764 1.00 26.70 C ATOM 84 H ALA A 10 37.676 30.504 9.935 1.00 0.00 H ATOM 85 N ILE A 11 35.554 28.006 10.821 1.00 27.46 N ATOM 86 CA ILE A 11 34.403 27.244 11.406 1.00 30.23 C ATOM 87 C ILE A 11 33.065 27.446 10.630 1.00 28.62 C ATOM 88 O ILE A 11 32.310 26.510 10.315 1.00 24.25 O ATOM 89 CB ILE A 11 34.214 27.607 12.889 1.00 32.99 C ATOM 90 CG1 ILE A 11 35.491 27.221 13.662 1.00 34.87 C ATOM 91 CG2 ILE A 11 32.934 26.973 13.457 1.00 33.85 C ATOM 92 CD1 ILE A 11 35.564 27.686 15.104 1.00 32.88 C ATOM 93 H ILE A 11 35.999 28.766 11.374 1.00 0.00 H ATOM 94 N VAL A 12 32.786 28.685 10.305 1.00 26.60 N ATOM 95 CA VAL A 12 31.598 28.986 9.536 1.00 32.06 C ATOM 96 C VAL A 12 31.570 28.179 8.231 1.00 29.07 C ATOM 97 O VAL A 12 30.519 27.697 7.794 1.00 29.71 O ATOM 98 CB VAL A 12 31.519 30.508 9.356 1.00 31.15 C ATOM 99 CG1 VAL A 12 30.966 30.910 8.008 1.00 36.65 C ATOM 100 CG2 VAL A 12 30.722 31.082 10.519 1.00 29.96 C ATOM 101 H VAL A 12 33.421 29.454 10.601 1.00 0.00 H ATOM 102 N ARG A 13 32.746 27.966 7.660 1.00 35.65 N ATOM 103 CA ARG A 13 32.879 27.088 6.492 1.00 35.27 C ATOM 104 C ARG A 13 32.721 25.587 6.858 1.00 36.12 C ATOM 105 O ARG A 13 32.151 24.827 6.098 1.00 33.05 O ATOM 106 CB ARG A 13 34.199 27.354 5.804 1.00 41.07 C ATOM 107 CG ARG A 13 34.363 26.707 4.426 1.00 45.89 C ATOM 108 CD ARG A 13 35.836 26.782 3.969 1.00 54.38 C ATOM 109 NE ARG A 13 36.800 26.314 4.997 1.00 57.05 N ATOM 110 CZ ARG A 13 37.612 27.097 5.741 1.00 55.09 C ATOM 111 NH1 ARG A 13 37.631 28.436 5.592 1.00 43.11 N ATOM 112 NH2 ARG A 13 38.429 26.530 6.642 1.00 49.69 N ATOM 113 HE ARG A 13 36.855 25.288 5.159 1.00 0.00 H ATOM 114 HH12 ARG A 13 38.266 29.015 6.178 1.00 0.00 H ATOM 115 HH11 ARG A 13 37.011 28.890 4.891 1.00 0.00 H ATOM 116 HH22 ARG A 13 39.058 27.124 7.220 1.00 0.00 H ATOM 117 HH21 ARG A 13 38.433 25.497 6.763 1.00 0.00 H ATOM 118 H ARG A 13 33.592 28.430 8.047 1.00 0.00 H ATOM 119 N ASP A 14 33.183 25.146 8.030 1.00 36.02 N ATOM 120 CA ASP A 14 32.894 23.751 8.387 1.00 37.23 C ATOM 121 C ASP A 14 31.403 23.524 8.583 1.00 36.22 C ATOM 122 O ASP A 14 30.887 22.425 8.306 1.00 35.98 O ATOM 123 CB ASP A 14 33.639 23.314 9.628 1.00 37.00 C ATOM 124 CG ASP A 14 35.129 23.332 9.438 1.00 41.75 C ATOM 125 OD1 ASP A 14 35.604 22.914 8.386 1.00 37.97 O ATOM 126 OD2 ASP A 14 35.840 23.755 10.373 1.00 50.35 O ATOM 127 H ASP A 14 33.726 25.765 8.665 1.00 0.00 H ATOM 128 N LEU A 15 30.702 24.556 9.057 1.00 33.76 N ATOM 129 CA LEU A 15 29.262 24.434 9.308 1.00 31.15 C ATOM 130 C LEU A 15 28.422 24.605 8.026 1.00 26.45 C ATOM 131 O LEU A 15 27.184 24.568 8.059 1.00 27.96 O ATOM 132 CB LEU A 15 28.807 25.403 10.417 1.00 30.07 C ATOM 133 CG LEU A 15 29.362 25.333 11.851 1.00 30.24 C ATOM 134 CD1 LEU A 15 28.413 26.132 12.709 1.00 26.86 C ATOM 135 CD2 LEU A 15 29.404 23.909 12.418 1.00 30.84 C ATOM 136 H LEU A 15 31.183 25.458 9.251 1.00 0.00 H ATOM 137 N GLY A 16 29.092 24.788 6.896 1.00 32.25 N ATOM 138 CA GLY A 16 28.407 24.767 5.597 1.00 30.75 C ATOM 139 C GLY A 16 27.857 26.099 5.138 1.00 34.36 C ATOM 140 O GLY A 16 27.067 26.187 4.169 1.00 39.25 O ATOM 141 H GLY A 16 30.119 24.949 6.930 1.00 0.00 H ATOM 142 N CYS A 17 28.300 27.169 5.781 1.00 37.41 N ATOM 143 CA CYS A 17 27.722 28.478 5.478 1.00 37.15 C ATOM 144 C CYS A 17 28.346 28.955 4.228 1.00 38.96 C ATOM 145 O CYS A 17 28.089 30.078 3.801 1.00 40.23 O ATOM 146 CB CYS A 17 28.036 29.471 6.581 1.00 33.81 C ATOM 147 SG CYS A 17 27.462 28.839 8.167 1.00 35.35 S ATOM 148 H CYS A 17 29.051 27.079 6.494 1.00 0.00 H ATOM 149 N GLY A 18 29.149 28.068 3.639 1.00 42.29 N ATOM 150 CA GLY A 18 30.040 28.370 2.513 1.00 42.15 C ATOM 151 C GLY A 18 29.375 29.101 1.384 1.00 37.16 C ATOM 152 O GLY A 18 29.693 30.263 1.136 1.00 43.57 O ATOM 153 H GLY A 18 29.143 27.094 4.003 1.00 0.00 H ATOM 154 N PRO A 19 28.463 28.424 0.676 1.00 41.32 N ATOM 155 CA PRO A 19 27.706 29.000 -0.463 1.00 38.69 C ATOM 156 C PRO A 19 26.987 30.319 -0.145 1.00 44.24 C ATOM 157 O PRO A 19 26.567 31.064 -1.063 1.00 45.63 O ATOM 158 CB PRO A 19 26.673 27.901 -0.791 1.00 33.53 C ATOM 159 CG PRO A 19 26.855 26.829 0.224 1.00 33.67 C ATOM 160 CD PRO A 19 28.257 26.966 0.761 1.00 37.01 C ATOM 161 N TYR A 20 26.867 30.630 1.145 1.00 37.82 N ATOM 162 CA TYR A 20 26.030 31.752 1.535 1.00 34.65 C ATOM 163 C TYR A 20 26.747 32.836 2.323 1.00 36.95 C ATOM 164 O TYR A 20 26.084 33.760 2.786 1.00 36.24 O ATOM 165 CB TYR A 20 24.860 31.252 2.392 1.00 34.91 C ATOM 166 CG TYR A 20 24.057 30.130 1.802 1.00 33.39 C ATOM 167 CD1 TYR A 20 23.380 30.290 0.596 1.00 35.45 C ATOM 168 CD2 TYR A 20 23.931 28.915 2.480 1.00 37.18 C ATOM 169 CE1 TYR A 20 22.627 29.250 0.047 1.00 39.96 C ATOM 170 CE2 TYR A 20 23.168 27.854 1.951 1.00 36.88 C ATOM 171 CZ TYR A 20 22.522 28.023 0.737 1.00 39.89 C ATOM 172 OH TYR A 20 21.783 26.971 0.227 1.00 38.08 O ATOM 173 HH TYR A 20 21.384 27.239 -0.638 1.00 0.00 H ATOM 174 H TYR A 20 27.368 30.074 1.867 1.00 0.00 H ATOM 175 N PHE A 21 28.073 32.706 2.488 1.00 30.57 N ATOM 176 CA PHE A 21 28.812 33.448 3.482 1.00 28.85 C ATOM 177 C PHE A 21 29.676 34.537 2.878 1.00 31.30 C ATOM 178 O PHE A 21 30.540 34.305 2.015 1.00 30.69 O ATOM 179 CB PHE A 21 29.665 32.505 4.329 1.00 28.81 C ATOM 180 CG PHE A 21 30.343 33.176 5.479 1.00 29.75 C ATOM 181 CD1 PHE A 21 29.590 33.752 6.501 1.00 29.71 C ATOM 182 CD2 PHE A 21 31.738 33.246 5.537 1.00 28.01 C ATOM 183 CE1 PHE A 21 30.209 34.388 7.557 1.00 28.89 C ATOM 184 CE2 PHE A 21 32.354 33.903 6.590 1.00 25.92 C ATOM 185 CZ PHE A 21 31.587 34.451 7.600 1.00 27.94 C ATOM 186 H PHE A 21 28.589 32.044 1.875 1.00 0.00 H ATOM 187 N LEU A 22 29.443 35.728 3.381 1.00 27.91 N ATOM 188 CA LEU A 22 30.025 36.904 2.849 1.00 28.84 C ATOM 189 C LEU A 22 31.233 37.393 3.607 1.00 29.70 C ATOM 190 O LEU A 22 31.575 38.560 3.415 1.00 25.93 O ATOM 191 CB LEU A 22 28.985 38.016 2.876 1.00 33.06 C ATOM 192 CG LEU A 22 28.047 37.947 1.708 1.00 36.90 C ATOM 193 CD1 LEU A 22 26.612 38.274 2.115 1.00 41.05 C ATOM 194 CD2 LEU A 22 28.592 38.874 0.623 1.00 39.42 C ATOM 195 H LEU A 22 28.808 35.810 4.200 1.00 0.00 H ATOM 196 N GLY A 23 31.854 36.551 4.460 1.00 27.73 N ATOM 197 CA GLY A 23 33.084 36.943 5.127 1.00 30.22 C ATOM 198 C GLY A 23 32.975 37.515 6.519 1.00 35.71 C ATOM 199 O GLY A 23 31.942 37.375 7.195 1.00 33.79 O ATOM 200 H GLY A 23 31.448 35.611 4.642 1.00 0.00 H ATOM 201 N THR A 24 34.056 38.169 6.951 1.00 34.99 N ATOM 202 CA THR A 24 34.077 38.767 8.268 1.00 35.51 C ATOM 203 C THR A 24 34.415 40.231 8.126 1.00 33.41 C ATOM 204 O THR A 24 35.389 40.565 7.468 1.00 27.80 O ATOM 205 CB THR A 24 35.047 38.069 9.252 1.00 38.68 C ATOM 206 OG1 THR A 24 36.315 38.718 9.189 1.00 47.21 O ATOM 207 CG2 THR A 24 35.247 36.570 8.945 1.00 37.81 C ATOM 208 HG1 THR A 24 36.210 39.670 9.440 1.00 0.00 H ATOM 209 H THR A 24 34.890 38.249 6.335 1.00 0.00 H ATOM 210 N HIS A 25 33.588 41.090 8.748 1.00 33.33 N ATOM 211 CA HIS A 25 33.700 42.550 8.625 1.00 31.40 C ATOM 212 C HIS A 25 33.899 43.275 9.944 1.00 29.97 C ATOM 213 O HIS A 25 33.411 42.840 10.946 1.00 28.27 O ATOM 214 CB HIS A 25 32.490 43.134 7.904 1.00 30.60 C ATOM 215 CG HIS A 25 32.381 42.688 6.479 1.00 28.04 C ATOM 216 ND1 HIS A 25 32.047 41.388 6.136 1.00 27.86 N ATOM 217 CD2 HIS A 25 32.618 43.346 5.320 1.00 27.78 C ATOM 218 CE1 HIS A 25 32.050 41.275 4.816 1.00 30.54 C ATOM 219 NE2 HIS A 25 32.393 42.451 4.298 1.00 30.40 N ATOM 220 H HIS A 25 32.831 40.701 9.346 1.00 0.00 H ATOM 221 N ASP A 26 34.632 44.390 9.912 1.00 31.31 N ATOM 222 CA ASP A 26 34.657 45.310 11.015 1.00 38.23 C ATOM 223 C ASP A 26 33.203 45.810 11.182 1.00 41.54 C ATOM 224 O ASP A 26 32.281 45.310 10.507 1.00 37.48 O ATOM 225 CB ASP A 26 35.628 46.488 10.705 1.00 42.68 C ATOM 226 CG ASP A 26 35.142 47.374 9.543 1.00 45.02 C ATOM 227 OD1 ASP A 26 34.296 46.920 8.740 1.00 50.10 O ATOM 228 OD2 ASP A 26 35.599 48.532 9.425 1.00 44.75 O ATOM 229 H ASP A 26 35.200 44.598 9.066 1.00 0.00 H ATOM 230 N LYS A 27 33.005 46.822 12.026 1.00 37.67 N ATOM 231 CA LYS A 27 31.674 47.393 12.204 1.00 39.06 C ATOM 232 C LYS A 27 31.025 48.019 10.948 1.00 38.32 C ATOM 233 O LYS A 27 29.938 48.561 11.051 1.00 39.07 O ATOM 234 CB LYS A 27 31.705 48.424 13.326 1.00 34.44 C ATOM 235 CG LYS A 27 32.522 49.659 12.963 1.00 32.43 C ATOM 236 CD LYS A 27 32.337 50.685 14.079 1.00 34.40 C ATOM 237 CE LYS A 27 33.105 51.980 13.860 1.00 29.42 C ATOM 238 NZ LYS A 27 33.174 52.671 15.184 1.00 29.85 N ATOM 239 HZ1 LYS A 27 32.210 52.866 15.523 1.00 0.00 H ATOM 240 HZ2 LYS A 27 33.666 52.060 15.867 1.00 0.00 H ATOM 241 HZ3 LYS A 27 33.694 53.566 15.080 1.00 0.00 H ATOM 242 H LYS A 27 33.807 47.209 12.563 1.00 0.00 H ATOM 243 N ARG A 28 31.686 47.947 9.786 1.00 43.00 N ATOM 244 CA ARG A 28 31.252 48.660 8.556 1.00 40.03 C ATOM 245 C ARG A 28 30.797 47.727 7.408 1.00 38.78 C ATOM 246 O ARG A 28 30.744 48.123 6.240 1.00 42.36 O ATOM 247 CB ARG A 28 32.307 49.698 8.101 1.00 42.28 C ATOM 248 CG ARG A 28 32.679 50.682 9.217 1.00 46.29 C ATOM 249 CD ARG A 28 34.016 51.400 9.007 1.00 42.25 C ATOM 250 NE ARG A 28 34.526 51.982 10.259 1.00 40.50 N ATOM 251 CZ ARG A 28 35.525 51.478 10.995 1.00 38.78 C ATOM 252 NH1 ARG A 28 35.879 52.104 12.090 1.00 42.07 N ATOM 253 NH2 ARG A 28 36.179 50.369 10.647 1.00 37.91 N ATOM 254 HE ARG A 28 34.074 52.855 10.599 1.00 0.00 H ATOM 255 HH12 ARG A 28 36.652 51.730 12.676 1.00 0.00 H ATOM 256 HH11 ARG A 28 35.387 52.975 12.373 1.00 0.00 H ATOM 257 HH22 ARG A 28 36.949 50.010 11.246 1.00 0.00 H ATOM 258 HH21 ARG A 28 35.919 49.863 9.776 1.00 0.00 H ATOM 259 H ARG A 28 32.546 47.363 9.742 1.00 0.00 H ATOM 260 N PHE A 29 30.458 46.484 7.756 1.00 36.35 N ATOM 261 CA PHE A 29 29.760 45.598 6.850 1.00 35.79 C ATOM 262 C PHE A 29 28.666 46.399 6.182 1.00 37.24 C ATOM 263 O PHE A 29 27.788 46.971 6.879 1.00 37.93 O ATOM 264 CB PHE A 29 29.127 44.462 7.612 1.00 36.49 C ATOM 265 CG PHE A 29 28.291 43.551 6.776 1.00 31.79 C ATOM 266 CD1 PHE A 29 28.832 42.914 5.666 1.00 32.50 C ATOM 267 CD2 PHE A 29 26.981 43.267 7.152 1.00 29.24 C ATOM 268 CE1 PHE A 29 28.065 42.044 4.909 1.00 30.43 C ATOM 269 CE2 PHE A 29 26.206 42.398 6.420 1.00 29.64 C ATOM 270 CZ PHE A 29 26.741 41.785 5.282 1.00 30.09 C ATOM 271 H PHE A 29 30.703 46.142 8.707 1.00 0.00 H ATOM 272 N PRO A 30 28.734 46.453 4.832 1.00 33.15 N ATOM 273 CA PRO A 30 27.899 47.214 3.932 1.00 32.62 C ATOM 274 C PRO A 30 26.411 46.913 4.090 1.00 38.30 C ATOM 275 O PRO A 30 25.598 47.846 4.096 1.00 37.71 O ATOM 276 CB PRO A 30 28.407 46.766 2.567 1.00 31.23 C ATOM 277 CG PRO A 30 29.902 46.636 2.799 1.00 30.60 C ATOM 278 CD PRO A 30 29.922 45.912 4.134 1.00 31.49 C ATOM 279 N GLY A 31 26.091 45.631 4.274 1.00 32.69 N ATOM 280 CA GLY A 31 24.768 45.105 4.065 1.00 26.81 C ATOM 281 C GLY A 31 24.772 44.043 2.967 1.00 26.29 C ATOM 282 O GLY A 31 25.821 43.497 2.523 1.00 25.13 O ATOM 283 H GLY A 31 26.837 44.977 4.585 1.00 0.00 H ATOM 284 N PHE A 32 23.574 43.728 2.563 1.00 25.92 N ATOM 285 CA PHE A 32 23.315 42.664 1.646 1.00 28.76 C ATOM 286 C PHE A 32 22.845 43.429 0.433 1.00 27.45 C ATOM 287 O PHE A 32 21.681 43.831 0.368 1.00 23.63 O ATOM 288 CB PHE A 32 22.232 41.714 2.216 1.00 28.92 C ATOM 289 CG PHE A 32 22.596 41.108 3.568 1.00 28.53 C ATOM 290 CD1 PHE A 32 23.538 40.077 3.666 1.00 29.03 C ATOM 291 CD2 PHE A 32 21.994 41.558 4.739 1.00 29.13 C ATOM 292 CE1 PHE A 32 23.875 39.539 4.900 1.00 27.89 C ATOM 293 CE2 PHE A 32 22.330 41.020 5.979 1.00 27.99 C ATOM 294 CZ PHE A 32 23.274 40.012 6.051 1.00 28.37 C ATOM 295 H PHE A 32 22.768 44.277 2.925 1.00 0.00 H ATOM 296 N LEU A 33 23.776 43.694 -0.491 1.00 28.41 N ATOM 297 CA LEU A 33 23.547 44.647 -1.577 1.00 28.43 C ATOM 298 C LEU A 33 23.574 43.945 -2.914 1.00 35.01 C ATOM 299 O LEU A 33 23.271 44.566 -3.963 1.00 32.34 O ATOM 300 CB LEU A 33 24.618 45.745 -1.585 1.00 27.27 C ATOM 301 CG LEU A 33 25.165 46.190 -0.216 1.00 24.17 C ATOM 302 CD1 LEU A 33 26.637 46.488 -0.280 1.00 27.94 C ATOM 303 CD2 LEU A 33 24.423 47.394 0.341 1.00 26.70 C ATOM 304 H LEU A 33 24.693 43.206 -0.435 1.00 0.00 H ATOM 305 N ALA A 34 23.983 42.671 -2.876 1.00 38.88 N ATOM 306 CA ALA A 34 24.534 41.981 -4.049 1.00 43.33 C ATOM 307 C ALA A 34 23.447 41.480 -4.961 1.00 43.97 C ATOM 308 O ALA A 34 23.473 41.751 -6.162 1.00 49.74 O ATOM 309 CB ALA A 34 25.447 40.832 -3.623 1.00 40.37 C ATOM 310 H ALA A 34 23.907 42.149 -1.980 1.00 0.00 H ATOM 311 N GLY A 35 22.507 40.748 -4.368 1.00 43.43 N ATOM 312 CA GLY A 35 21.409 40.078 -5.055 1.00 40.82 C ATOM 313 C GLY A 35 20.522 39.544 -3.932 1.00 44.45 C ATOM 314 O GLY A 35 20.968 39.469 -2.773 1.00 35.90 O ATOM 315 H GLY A 35 22.560 40.646 -3.334 1.00 0.00 H ATOM 316 N ASN A 36 19.264 39.206 -4.249 1.00 46.67 N ATOM 317 CA ASN A 36 18.352 38.628 -3.244 1.00 47.82 C ATOM 318 C ASN A 36 18.548 37.119 -3.037 1.00 53.75 C ATOM 319 O ASN A 36 17.669 36.284 -3.342 1.00 45.73 O ATOM 320 CB ASN A 36 16.879 38.970 -3.526 1.00 57.00 C ATOM 321 CG ASN A 36 16.059 39.158 -2.241 1.00 65.92 C ATOM 322 OD1 ASN A 36 15.332 38.258 -1.802 1.00 70.11 O ATOM 323 ND2 ASN A 36 16.183 40.337 -1.631 1.00 69.66 N ATOM 324 HD22 ASN A 36 16.805 41.067 -2.033 1.00 0.00 H ATOM 325 HD21 ASN A 36 15.658 40.526 -0.753 1.00 0.00 H ATOM 326 H ASN A 36 18.925 39.354 -5.221 1.00 0.00 H ATOM 327 N LYS A 37 19.724 36.777 -2.509 1.00 52.91 N ATOM 328 CA LYS A 37 20.070 35.395 -2.213 1.00 49.94 C ATOM 329 C LYS A 37 20.279 35.274 -0.699 1.00 44.01 C ATOM 330 O LYS A 37 20.861 36.184 -0.070 1.00 28.99 O ATOM 331 CB LYS A 37 21.340 34.978 -2.962 1.00 54.68 C ATOM 332 CG LYS A 37 21.447 35.512 -4.399 1.00 67.74 C ATOM 333 CD LYS A 37 22.451 34.744 -5.277 1.00 69.71 C ATOM 334 CE LYS A 37 23.901 34.898 -4.818 1.00 70.89 C ATOM 335 NZ LYS A 37 24.107 34.311 -3.447 1.00 66.34 N ATOM 336 HZ1 LYS A 37 23.491 34.799 -2.766 1.00 0.00 H ATOM 337 HZ2 LYS A 37 23.871 33.298 -3.466 1.00 0.00 H ATOM 338 HZ3 LYS A 37 25.101 34.432 -3.165 1.00 0.00 H ATOM 339 H LYS A 37 20.418 37.524 -2.302 1.00 0.00 H ATOM 340 N LEU A 38 19.777 34.177 -0.122 1.00 43.49 N ATOM 341 CA LEU A 38 20.161 33.760 1.239 1.00 43.88 C ATOM 342 C LEU A 38 21.653 34.044 1.510 1.00 46.00 C ATOM 343 O LEU A 38 22.525 33.279 1.080 1.00 54.23 O ATOM 344 CB LEU A 38 19.849 32.276 1.438 1.00 46.23 C ATOM 345 CG LEU A 38 19.679 31.746 2.869 1.00 43.61 C ATOM 346 CD1 LEU A 38 18.390 32.253 3.487 1.00 49.69 C ATOM 347 CD2 LEU A 38 19.653 30.223 2.865 1.00 44.86 C ATOM 348 H LEU A 38 19.093 33.599 -0.651 1.00 0.00 H ATOM 349 N ALA A 39 21.939 35.181 2.160 1.00 41.19 N ATOM 350 CA ALA A 39 23.299 35.582 2.505 1.00 37.23 C ATOM 351 C ALA A 39 23.403 35.735 4.026 1.00 38.77 C ATOM 352 O ALA A 39 22.388 35.723 4.699 1.00 29.43 O ATOM 353 CB ALA A 39 23.692 36.867 1.782 1.00 41.55 C ATOM 354 H ALA A 39 21.154 35.807 2.431 1.00 0.00 H ATOM 355 N CYS A 40 24.630 35.805 4.556 1.00 35.48 N ATOM 356 CA CYS A 40 24.859 35.998 5.989 1.00 33.18 C ATOM 357 C CYS A 40 26.285 36.492 6.195 1.00 32.29 C ATOM 358 O CYS A 40 27.063 36.574 5.250 1.00 32.80 O ATOM 359 CB CYS A 40 24.539 34.747 6.833 1.00 35.85 C ATOM 360 SG CYS A 40 25.435 33.227 6.419 1.00 35.12 S ATOM 361 H CYS A 40 25.453 35.719 3.925 1.00 0.00 H ATOM 362 N ALA A 41 26.629 36.893 7.403 1.00 27.48 N ATOM 363 CA ALA A 41 27.946 37.429 7.596 1.00 26.13 C ATOM 364 C ALA A 41 28.287 37.433 9.085 1.00 32.28 C ATOM 365 O ALA A 41 27.524 36.928 9.907 1.00 31.51 O ATOM 366 CB ALA A 41 28.012 38.819 6.993 1.00 27.91 C ATOM 367 H ALA A 41 25.961 36.822 8.197 1.00 0.00 H ATOM 368 N ILE A 42 29.479 37.943 9.398 1.00 39.49 N ATOM 369 CA ILE A 42 29.949 38.179 10.756 1.00 37.70 C ATOM 370 C ILE A 42 30.556 39.579 10.763 1.00 38.42 C ATOM 371 O ILE A 42 31.374 39.930 9.911 1.00 44.75 O ATOM 372 CB ILE A 42 30.948 37.100 11.230 1.00 36.80 C ATOM 373 CG1 ILE A 42 30.191 35.794 11.547 1.00 31.96 C ATOM 374 CG2 ILE A 42 31.760 37.588 12.425 1.00 39.21 C ATOM 375 CD1 ILE A 42 31.086 34.607 11.913 1.00 31.40 C ATOM 376 H ILE A 42 30.119 38.190 8.616 1.00 0.00 H ATOM 377 N VAL A 43 30.097 40.378 11.714 1.00 36.22 N ATOM 378 CA VAL A 43 30.383 41.798 11.757 1.00 33.50 C ATOM 379 C VAL A 43 30.870 42.041 13.162 1.00 36.54 C ATOM 380 O VAL A 43 30.245 41.604 14.139 1.00 37.21 O ATOM 381 CB VAL A 43 29.077 42.548 11.450 1.00 29.43 C ATOM 382 CG1 VAL A 43 29.276 44.054 11.396 1.00 24.63 C ATOM 383 CG2 VAL A 43 28.556 42.036 10.116 1.00 26.50 C ATOM 384 H VAL A 43 29.504 39.968 12.464 1.00 0.00 H ATOM 385 N ASN A 44 32.040 42.647 13.288 1.00 39.54 N ATOM 386 CA ASN A 44 32.509 43.009 14.610 1.00 40.94 C ATOM 387 C ASN A 44 31.791 44.263 15.056 1.00 37.97 C ATOM 388 O ASN A 44 31.497 45.118 14.237 1.00 42.34 O ATOM 389 CB ASN A 44 34.006 43.296 14.594 1.00 42.83 C ATOM 390 CG ASN A 44 34.655 43.056 15.950 1.00 38.83 C ATOM 391 OD1 ASN A 44 34.980 41.922 16.287 1.00 42.49 O ATOM 392 ND2 ASN A 44 34.862 44.119 16.711 1.00 31.14 N ATOM 393 HD22 ASN A 44 34.568 45.060 16.381 1.00 0.00 H ATOM 394 HD21 ASN A 44 35.319 44.013 17.639 1.00 0.00 H ATOM 395 H ASN A 44 32.615 42.861 12.448 1.00 0.00 H ATOM 396 N THR A 45 31.554 44.405 16.354 1.00 35.48 N ATOM 397 CA THR A 45 30.947 45.624 16.842 1.00 31.62 C ATOM 398 C THR A 45 31.839 46.812 16.655 1.00 31.06 C ATOM 399 O THR A 45 31.353 47.928 16.551 1.00 32.09 O ATOM 400 CB THR A 45 30.607 45.576 18.333 1.00 27.54 C ATOM 401 OG1 THR A 45 31.788 45.229 19.087 1.00 28.85 O ATOM 402 CG2 THR A 45 29.443 44.606 18.615 1.00 26.48 C ATOM 403 HG1 THR A 45 31.565 45.199 20.051 1.00 0.00 H ATOM 404 H THR A 45 31.803 43.644 17.017 1.00 0.00 H ATOM 405 N ALA A 46 33.152 46.592 16.701 1.00 35.78 N ATOM 406 CA ALA A 46 34.099 47.705 16.607 1.00 36.41 C ATOM 407 C ALA A 46 34.740 47.815 15.226 1.00 40.35 C ATOM 408 O ALA A 46 34.697 46.873 14.420 1.00 45.64 O ATOM 409 CB ALA A 46 35.151 47.614 17.701 1.00 38.66 C ATOM 410 H ALA A 46 33.508 45.620 16.805 1.00 0.00 H ATOM 411 N GLY A 47 35.292 48.991 14.943 1.00 42.53 N ATOM 412 CA GLY A 47 36.083 49.204 13.726 1.00 45.61 C ATOM 413 C GLY A 47 37.431 48.503 13.807 1.00 40.87 C ATOM 414 O GLY A 47 38.055 48.498 14.868 1.00 35.51 O ATOM 415 H GLY A 47 35.159 49.783 15.604 1.00 0.00 H ATOM 416 N ARG A 48 37.884 47.954 12.668 1.00 41.11 N ATOM 417 CA ARG A 48 39.049 47.066 12.592 1.00 37.76 C ATOM 418 C ARG A 48 40.242 47.534 13.423 1.00 36.40 C ATOM 419 O ARG A 48 41.062 46.717 13.841 1.00 36.63 O ATOM 420 CB ARG A 48 39.491 46.916 11.127 1.00 35.11 C ATOM 421 CG ARG A 48 40.127 45.572 10.817 1.00 37.12 C ATOM 422 CD ARG A 48 40.191 45.387 9.313 1.00 39.97 C ATOM 423 NE ARG A 48 39.047 44.591 8.866 1.00 46.33 N ATOM 424 CZ ARG A 48 39.135 43.288 8.592 1.00 48.29 C ATOM 425 NH1 ARG A 48 38.060 42.614 8.196 1.00 58.39 N ATOM 426 NH2 ARG A 48 40.299 42.648 8.727 1.00 52.22 N ATOM 427 HE ARG A 48 38.126 45.061 8.757 1.00 0.00 H ATOM 428 HH12 ARG A 48 38.132 41.599 7.983 1.00 0.00 H ATOM 429 HH11 ARG A 48 37.147 43.102 8.099 1.00 0.00 H ATOM 430 HH22 ARG A 48 40.362 41.632 8.512 1.00 0.00 H ATOM 431 HH21 ARG A 48 41.143 43.165 9.047 1.00 0.00 H ATOM 432 H ARG A 48 37.378 48.172 11.786 1.00 0.00 H ATOM 433 N GLU A 49 40.297 48.852 13.622 1.00 33.71 N ATOM 434 CA GLU A 49 41.428 49.603 14.131 1.00 37.18 C ATOM 435 C GLU A 49 41.386 49.759 15.645 1.00 41.37 C ATOM 436 O GLU A 49 42.101 50.577 16.252 1.00 44.83 O ATOM 437 CB GLU A 49 41.432 50.989 13.474 1.00 34.95 C ATOM 438 CG GLU A 49 40.308 51.944 13.935 1.00 35.49 C ATOM 439 CD GLU A 49 38.914 51.622 13.364 1.00 34.01 C ATOM 440 OE1 GLU A 49 38.036 51.247 14.167 1.00 31.32 O ATOM 441 OE2 GLU A 49 38.697 51.754 12.133 1.00 30.92 O ATOM 442 H GLU A 49 39.442 49.396 13.388 1.00 0.00 H ATOM 443 N THR A 50 40.512 48.997 16.262 1.00 40.73 N ATOM 444 CA THR A 50 40.478 48.938 17.689 1.00 36.87 C ATOM 445 C THR A 50 41.194 47.660 18.030 1.00 34.70 C ATOM 446 O THR A 50 41.568 47.436 19.189 1.00 39.66 O ATOM 447 CB THR A 50 39.048 48.719 18.187 1.00 41.24 C ATOM 448 OG1 THR A 50 38.538 47.503 17.603 1.00 40.78 O ATOM 449 CG2 THR A 50 38.152 49.913 17.832 1.00 42.14 C ATOM 450 HG1 THR A 50 38.543 47.585 16.616 1.00 0.00 H ATOM 451 H THR A 50 39.839 48.431 15.707 1.00 0.00 H ATOM 452 N GLY A 51 41.336 46.792 17.034 1.00 32.92 N ATOM 453 CA GLY A 51 41.725 45.406 17.276 1.00 33.02 C ATOM 454 C GLY A 51 40.516 44.496 17.147 1.00 32.37 C ATOM 455 O GLY A 51 40.670 43.344 16.763 1.00 33.27 O ATOM 456 H GLY A 51 41.166 47.108 16.058 1.00 0.00 H ATOM 457 N GLY A 52 39.327 44.994 17.528 1.00 32.13 N ATOM 458 CA GLY A 52 38.085 44.223 17.413 1.00 31.15 C ATOM 459 C GLY A 52 37.608 43.768 18.767 1.00 28.42 C ATOM 460 O GLY A 52 38.415 43.268 19.553 1.00 31.91 O ATOM 461 H GLY A 52 39.287 45.958 17.917 1.00 0.00 H ATOM 462 N VAL A 53 36.290 43.889 19.004 1.00 27.28 N ATOM 463 CA VAL A 53 35.637 43.806 20.356 1.00 25.33 C ATOM 464 C VAL A 53 34.579 42.740 20.515 1.00 23.05 C ATOM 465 O VAL A 53 34.756 41.863 21.295 1.00 17.37 O ATOM 466 CB VAL A 53 35.061 45.170 20.797 1.00 24.53 C ATOM 467 CG1 VAL A 53 34.041 45.014 21.963 1.00 22.87 C ATOM 468 CG2 VAL A 53 36.224 46.096 21.173 1.00 26.46 C ATOM 469 H VAL A 53 35.671 44.054 18.185 1.00 0.00 H ATOM 470 N HIS A 54 33.486 42.768 19.755 1.00 26.37 N ATOM 471 CA HIS A 54 32.452 41.734 19.992 1.00 26.15 C ATOM 472 C HIS A 54 31.958 41.221 18.677 1.00 28.45 C ATOM 473 O HIS A 54 31.943 41.964 17.738 1.00 29.67 O ATOM 474 CB HIS A 54 31.344 42.386 20.822 1.00 23.39 C ATOM 475 CG HIS A 54 30.083 41.592 20.970 1.00 22.93 C ATOM 476 ND1 HIS A 54 30.065 40.271 21.366 1.00 23.65 N ATOM 477 CD2 HIS A 54 28.784 42.010 20.993 1.00 24.71 C ATOM 478 CE1 HIS A 54 28.802 39.887 21.545 1.00 23.15 C ATOM 479 NE2 HIS A 54 28.007 40.932 21.344 1.00 23.55 N ATOM 480 H HIS A 54 33.362 43.492 19.019 1.00 0.00 H ATOM 481 N TRP A 55 31.584 39.954 18.580 1.00 32.18 N ATOM 482 CA TRP A 55 31.193 39.440 17.266 1.00 41.55 C ATOM 483 C TRP A 55 29.676 39.474 17.144 1.00 38.83 C ATOM 484 O TRP A 55 28.999 39.173 18.097 1.00 35.90 O ATOM 485 CB TRP A 55 31.712 37.997 17.059 1.00 37.97 C ATOM 486 CG TRP A 55 33.223 37.893 16.847 1.00 48.04 C ATOM 487 CD1 TRP A 55 34.104 37.164 17.589 1.00 46.40 C ATOM 488 CD2 TRP A 55 34.007 38.519 15.806 1.00 49.47 C ATOM 489 NE1 TRP A 55 35.379 37.298 17.089 1.00 48.63 N ATOM 490 CE2 TRP A 55 35.346 38.128 15.998 1.00 49.14 C ATOM 491 CE3 TRP A 55 33.703 39.378 14.737 1.00 52.83 C ATOM 492 CZ2 TRP A 55 36.382 38.561 15.161 1.00 48.32 C ATOM 493 CZ3 TRP A 55 34.742 39.802 13.908 1.00 52.40 C ATOM 494 CH2 TRP A 55 36.062 39.390 14.131 1.00 43.81 C ATOM 495 HE1 TRP A 55 36.230 36.843 17.476 1.00 0.00 H ATOM 496 H TRP A 55 31.568 39.338 19.418 1.00 0.00 H ATOM 497 N LEU A 56 29.157 39.805 15.965 1.00 38.72 N ATOM 498 CA LEU A 56 27.702 39.748 15.700 1.00 41.40 C ATOM 499 C LEU A 56 27.402 38.859 14.484 1.00 40.01 C ATOM 500 O LEU A 56 28.256 38.658 13.605 1.00 42.48 O ATOM 501 CB LEU A 56 27.143 41.136 15.426 1.00 39.59 C ATOM 502 CG LEU A 56 26.845 42.128 16.542 1.00 38.72 C ATOM 503 CD1 LEU A 56 26.203 43.332 15.870 1.00 33.73 C ATOM 504 CD2 LEU A 56 25.869 41.517 17.518 1.00 38.20 C ATOM 505 H LEU A 56 29.795 40.114 15.204 1.00 0.00 H ATOM 506 N ALA A 57 26.207 38.305 14.421 1.00 36.98 N ATOM 507 CA ALA A 57 25.878 37.563 13.201 1.00 33.12 C ATOM 508 C ALA A 57 24.696 38.221 12.518 1.00 31.59 C ATOM 509 O ALA A 57 23.869 38.868 13.176 1.00 28.01 O ATOM 510 CB ALA A 57 25.629 36.097 13.487 1.00 32.15 C ATOM 511 H ALA A 57 25.527 38.391 15.203 1.00 0.00 H ATOM 512 N PHE A 58 24.683 38.124 11.189 1.00 34.78 N ATOM 513 CA PHE A 58 23.725 38.849 10.335 1.00 30.72 C ATOM 514 C PHE A 58 23.316 37.881 9.247 1.00 31.64 C ATOM 515 O PHE A 58 24.151 37.133 8.777 1.00 32.44 O ATOM 516 CB PHE A 58 24.400 40.059 9.729 1.00 28.10 C ATOM 517 CG PHE A 58 24.237 41.308 10.553 1.00 29.67 C ATOM 518 CD1 PHE A 58 23.052 42.049 10.495 1.00 25.35 C ATOM 519 CD2 PHE A 58 25.263 41.731 11.401 1.00 28.84 C ATOM 520 CE1 PHE A 58 22.913 43.179 11.248 1.00 28.39 C ATOM 521 CE2 PHE A 58 25.122 42.865 12.171 1.00 30.75 C ATOM 522 CZ PHE A 58 23.929 43.591 12.096 1.00 29.01 C ATOM 523 H PHE A 58 25.384 37.506 10.732 1.00 0.00 H ATOM 524 N GLY A 59 22.042 37.865 8.876 1.00 31.04 N ATOM 525 CA GLY A 59 21.520 36.888 7.926 1.00 30.89 C ATOM 526 C GLY A 59 20.497 37.604 7.061 1.00 34.86 C ATOM 527 O GLY A 59 19.914 38.604 7.501 1.00 30.91 O ATOM 528 H GLY A 59 21.393 38.573 9.276 1.00 0.00 H ATOM 529 N TRP A 60 20.355 37.131 5.815 1.00 35.73 N ATOM 530 CA TRP A 60 19.292 37.549 4.903 1.00 37.81 C ATOM 531 C TRP A 60 18.502 36.355 4.356 1.00 39.37 C ATOM 532 O TRP A 60 19.070 35.488 3.673 1.00 35.78 O ATOM 533 CB TRP A 60 19.817 38.405 3.734 1.00 38.34 C ATOM 534 CG TRP A 60 18.728 38.770 2.752 1.00 40.36 C ATOM 535 CD1 TRP A 60 18.474 38.164 1.537 1.00 42.25 C ATOM 536 CD2 TRP A 60 17.720 39.798 2.905 1.00 41.31 C ATOM 537 NE1 TRP A 60 17.388 38.756 0.936 1.00 45.50 N ATOM 538 CE2 TRP A 60 16.899 39.751 1.746 1.00 42.56 C ATOM 539 CE3 TRP A 60 17.437 40.750 3.901 1.00 39.71 C ATOM 540 CZ2 TRP A 60 15.817 40.639 1.544 1.00 43.92 C ATOM 541 CZ3 TRP A 60 16.356 41.619 3.711 1.00 45.66 C ATOM 542 CH2 TRP A 60 15.565 41.563 2.533 1.00 49.71 C ATOM 543 HE1 TRP A 60 16.997 38.491 0.010 1.00 0.00 H ATOM 544 H TRP A 60 21.041 36.426 5.478 1.00 0.00 H ATOM 545 N ASN A 61 17.189 36.342 4.645 1.00 36.99 N ATOM 546 CA ASN A 61 16.218 35.466 3.977 1.00 38.86 C ATOM 547 C ASN A 61 15.481 36.191 2.820 1.00 39.27 C ATOM 548 O ASN A 61 14.979 37.293 3.002 1.00 37.64 O ATOM 549 CB ASN A 61 15.236 34.959 5.030 1.00 38.19 C ATOM 550 CG ASN A 61 14.214 33.985 4.488 1.00 45.12 C ATOM 551 OD1 ASN A 61 14.438 33.282 3.495 1.00 54.78 O ATOM 552 ND2 ASN A 61 13.079 33.912 5.171 1.00 52.73 N ATOM 553 HD22 ASN A 61 12.931 34.522 6.001 1.00 0.00 H ATOM 554 HD21 ASN A 61 12.337 33.245 4.877 1.00 0.00 H ATOM 555 H ASN A 61 16.842 36.988 5.382 1.00 0.00 H ATOM 556 N PRO A 62 15.506 35.615 1.601 1.00 43.61 N ATOM 557 CA PRO A 62 14.694 36.076 0.469 1.00 42.94 C ATOM 558 C PRO A 62 13.189 36.058 0.706 1.00 44.04 C ATOM 559 O PRO A 62 12.565 37.106 0.652 1.00 39.19 O ATOM 560 CB PRO A 62 15.016 35.054 -0.620 1.00 41.62 C ATOM 561 CG PRO A 62 16.431 34.638 -0.335 1.00 45.95 C ATOM 562 CD PRO A 62 16.709 34.895 1.130 1.00 42.81 C ATOM 563 N ARG A 63 12.624 34.871 0.940 1.00 46.76 N ATOM 564 CA ARG A 63 11.167 34.704 1.063 1.00 51.67 C ATOM 565 C ARG A 63 10.567 35.799 1.926 1.00 54.58 C ATOM 566 O ARG A 63 9.712 36.565 1.468 1.00 65.22 O ATOM 567 CB ARG A 63 10.792 33.319 1.624 1.00 46.73 C ATOM 568 H ARG A 63 13.235 34.035 1.039 1.00 0.00 H ATOM 569 N SER A 64 11.055 35.909 3.153 1.00 52.39 N ATOM 570 CA SER A 64 10.450 36.793 4.138 1.00 47.25 C ATOM 571 C SER A 64 10.904 38.236 4.052 1.00 45.68 C ATOM 572 O SER A 64 10.317 39.075 4.711 1.00 44.45 O ATOM 573 CB SER A 64 10.750 36.269 5.531 1.00 50.56 C ATOM 574 OG SER A 64 12.153 36.206 5.708 1.00 49.52 O ATOM 575 HG SER A 64 12.539 37.111 5.601 1.00 0.00 H ATOM 576 H SER A 64 11.891 35.350 3.419 1.00 0.00 H ATOM 577 N ARG A 65 11.933 38.521 3.243 1.00 43.77 N ATOM 578 CA ARG A 65 12.649 39.832 3.284 1.00 42.35 C ATOM 579 C ARG A 65 12.966 40.297 4.722 1.00 38.64 C ATOM 580 O ARG A 65 12.483 41.320 5.192 1.00 42.57 O ATOM 581 CB ARG A 65 11.886 40.908 2.511 1.00 44.76 C ATOM 582 H ARG A 65 12.246 37.802 2.560 1.00 0.00 H ATOM 583 N THR A 66 13.778 39.503 5.401 1.00 37.99 N ATOM 584 CA THR A 66 14.074 39.627 6.829 1.00 38.21 C ATOM 585 C THR A 66 15.610 39.662 7.078 1.00 37.60 C ATOM 586 O THR A 66 16.340 38.692 6.824 1.00 38.55 O ATOM 587 CB THR A 66 13.449 38.432 7.595 1.00 37.59 C ATOM 588 OG1 THR A 66 12.083 38.252 7.188 1.00 37.30 O ATOM 589 CG2 THR A 66 13.528 38.583 9.148 1.00 38.40 C ATOM 590 HG1 THR A 66 12.051 38.070 6.215 1.00 0.00 H ATOM 591 H THR A 66 14.242 38.731 4.880 1.00 0.00 H ATOM 592 N CYS A 67 16.103 40.775 7.595 1.00 32.22 N ATOM 593 CA CYS A 67 17.425 40.740 8.178 1.00 33.60 C ATOM 594 C CYS A 67 17.366 40.144 9.571 1.00 35.29 C ATOM 595 O CYS A 67 16.661 40.683 10.408 1.00 38.62 O ATOM 596 CB CYS A 67 17.903 42.142 8.373 1.00 29.23 C ATOM 597 SG CYS A 67 19.672 42.202 8.607 1.00 30.15 S ATOM 598 H CYS A 67 15.551 41.656 7.582 1.00 0.00 H ATOM 599 N TYR A 68 18.098 39.053 9.825 1.00 34.49 N ATOM 600 CA TYR A 68 18.313 38.607 11.198 1.00 32.29 C ATOM 601 C TYR A 68 19.564 39.254 11.769 1.00 29.18 C ATOM 602 O TYR A 68 20.631 39.167 11.179 1.00 30.16 O ATOM 603 CB TYR A 68 18.389 37.075 11.310 1.00 33.34 C ATOM 604 CG TYR A 68 17.092 36.377 10.918 1.00 34.43 C ATOM 605 CD1 TYR A 68 16.032 36.276 11.797 1.00 31.64 C ATOM 606 CD2 TYR A 68 16.942 35.824 9.651 1.00 36.59 C ATOM 607 CE1 TYR A 68 14.848 35.675 11.422 1.00 31.17 C ATOM 608 CE2 TYR A 68 15.777 35.193 9.283 1.00 35.31 C ATOM 609 CZ TYR A 68 14.728 35.132 10.163 1.00 35.32 C ATOM 610 OH TYR A 68 13.585 34.475 9.765 1.00 33.49 O ATOM 611 HH TYR A 68 13.803 33.532 9.559 1.00 0.00 H ATOM 612 H TYR A 68 18.517 38.518 9.038 1.00 0.00 H ATOM 613 N MET A 69 19.428 39.942 12.897 1.00 30.10 N ATOM 614 CA MET A 69 20.636 40.399 13.619 1.00 33.86 C ATOM 615 C MET A 69 20.740 39.543 14.861 1.00 31.31 C ATOM 616 O MET A 69 19.768 39.379 15.580 1.00 30.33 O ATOM 617 CB MET A 69 20.618 41.901 13.970 1.00 33.87 C ATOM 618 CG MET A 69 21.882 42.398 14.682 1.00 34.94 C ATOM 619 SD MET A 69 22.149 41.841 16.373 1.00 47.15 S ATOM 620 CE MET A 69 20.986 42.905 17.234 1.00 32.44 C ATOM 621 H MET A 69 18.481 40.158 13.269 1.00 0.00 H ATOM 622 N PHE A 70 21.920 38.969 15.093 1.00 34.89 N ATOM 623 CA PHE A 70 22.097 38.049 16.204 1.00 39.09 C ATOM 624 C PHE A 70 23.227 38.471 17.116 1.00 38.76 C ATOM 625 O PHE A 70 24.378 38.523 16.706 1.00 39.17 O ATOM 626 CB PHE A 70 22.355 36.635 15.711 1.00 38.85 C ATOM 627 CG PHE A 70 22.543 35.650 16.808 1.00 39.80 C ATOM 628 CD1 PHE A 70 21.445 35.104 17.448 1.00 40.90 C ATOM 629 CD2 PHE A 70 23.820 35.289 17.228 1.00 36.58 C ATOM 630 CE1 PHE A 70 21.613 34.191 18.463 1.00 43.29 C ATOM 631 CE2 PHE A 70 23.984 34.392 18.248 1.00 37.05 C ATOM 632 CZ PHE A 70 22.886 33.820 18.852 1.00 38.00 C ATOM 633 H PHE A 70 22.725 39.182 14.470 1.00 0.00 H ATOM 634 N ASP A 71 22.873 38.812 18.351 1.00 37.69 N ATOM 635 CA ASP A 71 23.869 39.121 19.303 1.00 35.45 C ATOM 636 C ASP A 71 23.685 38.017 20.266 1.00 37.75 C ATOM 637 O ASP A 71 22.550 37.812 20.755 1.00 38.63 O ATOM 638 CB ASP A 71 23.623 40.434 20.019 1.00 40.70 C ATOM 639 CG ASP A 71 24.488 40.570 21.255 1.00 38.16 C ATOM 640 OD1 ASP A 71 25.558 39.938 21.303 1.00 37.73 O ATOM 641 OD2 ASP A 71 24.107 41.314 22.170 1.00 31.92 O ATOM 642 H ASP A 71 21.868 38.851 18.615 1.00 0.00 H ATOM 643 N PRO A 72 24.778 37.275 20.545 1.00 37.29 N ATOM 644 CA PRO A 72 24.590 36.191 21.502 1.00 34.26 C ATOM 645 C PRO A 72 24.045 36.631 22.882 1.00 31.84 C ATOM 646 O PRO A 72 23.422 35.801 23.547 1.00 32.91 O ATOM 647 CB PRO A 72 25.988 35.525 21.571 1.00 31.17 C ATOM 648 CG PRO A 72 26.924 36.553 21.090 1.00 27.46 C ATOM 649 CD PRO A 72 26.160 37.278 20.010 1.00 34.87 C ATOM 650 N PHE A 73 24.210 37.902 23.286 1.00 28.80 N ATOM 651 CA PHE A 73 23.605 38.329 24.562 1.00 28.13 C ATOM 652 C PHE A 73 22.094 38.775 24.444 1.00 26.07 C ATOM 653 O PHE A 73 21.465 39.141 25.470 1.00 22.59 O ATOM 654 CB PHE A 73 24.400 39.490 25.227 1.00 31.44 C ATOM 655 CG PHE A 73 25.872 39.210 25.559 1.00 32.64 C ATOM 656 CD1 PHE A 73 26.250 38.179 26.409 1.00 36.54 C ATOM 657 CD2 PHE A 73 26.858 40.088 25.116 1.00 33.46 C ATOM 658 CE1 PHE A 73 27.591 38.001 26.765 1.00 35.76 C ATOM 659 CE2 PHE A 73 28.203 39.910 25.437 1.00 35.17 C ATOM 660 CZ PHE A 73 28.568 38.859 26.272 1.00 36.04 C ATOM 661 H PHE A 73 24.755 38.574 22.709 1.00 0.00 H ATOM 662 N GLY A 74 21.517 38.728 23.245 1.00 20.06 N ATOM 663 CA GLY A 74 20.371 39.605 22.889 1.00 21.89 C ATOM 664 C GLY A 74 20.320 41.040 23.477 1.00 21.11 C ATOM 665 O GLY A 74 19.328 41.416 24.035 1.00 24.91 O ATOM 666 H GLY A 74 21.879 38.058 22.537 1.00 0.00 H ATOM 667 N PHE A 75 21.391 41.827 23.401 1.00 22.11 N ATOM 668 CA PHE A 75 21.321 43.278 23.723 1.00 23.75 C ATOM 669 C PHE A 75 20.452 43.977 22.695 1.00 25.53 C ATOM 670 O PHE A 75 20.540 43.664 21.538 1.00 27.09 O ATOM 671 CB PHE A 75 22.718 43.935 23.659 1.00 20.45 C ATOM 672 CG PHE A 75 23.559 43.693 24.876 1.00 20.12 C ATOM 673 CD1 PHE A 75 23.020 43.842 26.158 1.00 19.06 C ATOM 674 CD2 PHE A 75 24.924 43.369 24.760 1.00 19.14 C ATOM 675 CE1 PHE A 75 23.786 43.631 27.290 1.00 16.37 C ATOM 676 CE2 PHE A 75 25.715 43.156 25.899 1.00 15.98 C ATOM 677 CZ PHE A 75 25.112 43.242 27.155 1.00 18.69 C ATOM 678 H PHE A 75 22.301 41.417 23.109 1.00 0.00 H ATOM 679 N SER A 76 19.590 44.885 23.121 1.00 28.14 N ATOM 680 CA SER A 76 18.822 45.714 22.183 1.00 31.84 C ATOM 681 C SER A 76 19.697 46.700 21.348 1.00 33.34 C ATOM 682 O SER A 76 20.851 47.026 21.740 1.00 35.62 O ATOM 683 CB SER A 76 17.788 46.471 22.971 1.00 28.66 C ATOM 684 OG SER A 76 18.433 47.184 24.015 1.00 27.29 O ATOM 685 HG SER A 76 17.757 47.685 24.538 1.00 0.00 H ATOM 686 H SER A 76 19.453 45.015 24.144 1.00 0.00 H ATOM 687 N ASP A 77 19.184 47.153 20.202 1.00 33.44 N ATOM 688 CA ASP A 77 19.996 48.039 19.414 1.00 31.51 C ATOM 689 C ASP A 77 20.535 49.118 20.331 1.00 31.31 C ATOM 690 O ASP A 77 21.727 49.361 20.255 1.00 30.52 O ATOM 691 CB ASP A 77 19.281 48.621 18.194 1.00 32.15 C ATOM 692 CG ASP A 77 18.480 47.586 17.455 1.00 30.43 C ATOM 693 OD1 ASP A 77 17.551 47.046 18.075 1.00 29.58 O ATOM 694 OD2 ASP A 77 18.773 47.318 16.268 1.00 29.67 O ATOM 695 H ASP A 77 18.231 46.875 19.891 1.00 0.00 H ATOM 696 N ARG A 78 19.698 49.689 21.192 1.00 29.31 N ATOM 697 CA ARG A 78 20.048 50.699 22.163 1.00 31.52 C ATOM 698 C ARG A 78 21.172 50.283 23.131 1.00 29.32 C ATOM 699 O ARG A 78 22.056 51.087 23.478 1.00 24.68 O ATOM 700 CB ARG A 78 18.795 50.958 23.002 1.00 32.48 C ATOM 701 CG ARG A 78 18.734 52.333 23.628 1.00 41.03 C ATOM 702 CD ARG A 78 17.300 52.695 24.000 1.00 36.40 C ATOM 703 NE ARG A 78 17.364 54.033 24.559 1.00 39.49 N ATOM 704 CZ ARG A 78 16.447 54.631 25.328 1.00 36.97 C ATOM 705 NH1 ARG A 78 15.311 54.018 25.702 1.00 34.59 N ATOM 706 NH2 ARG A 78 16.694 55.877 25.715 1.00 34.55 N ATOM 707 HE ARG A 78 18.216 54.587 24.338 1.00 0.00 H ATOM 708 HH12 ARG A 78 14.623 54.518 26.301 1.00 0.00 H ATOM 709 HH11 ARG A 78 15.120 53.044 25.393 1.00 0.00 H ATOM 710 HH22 ARG A 78 16.009 56.381 26.314 1.00 0.00 H ATOM 711 HH21 ARG A 78 17.572 56.349 25.419 1.00 0.00 H ATOM 712 H ARG A 78 18.705 49.382 21.164 1.00 0.00 H ATOM 713 N ARG A 79 21.111 49.055 23.623 1.00 28.51 N ATOM 714 CA ARG A 79 22.203 48.604 24.501 1.00 32.09 C ATOM 715 C ARG A 79 23.510 48.370 23.698 1.00 36.36 C ATOM 716 O ARG A 79 24.553 48.976 23.986 1.00 38.69 O ATOM 717 CB ARG A 79 21.774 47.381 25.277 1.00 33.13 C ATOM 718 CG ARG A 79 20.929 47.716 26.478 1.00 33.57 C ATOM 719 CD ARG A 79 21.764 48.274 27.615 1.00 32.62 C ATOM 720 NE ARG A 79 22.262 47.212 28.496 1.00 33.10 N ATOM 721 CZ ARG A 79 23.042 47.463 29.525 1.00 30.18 C ATOM 722 NH1 ARG A 79 23.408 48.735 29.693 1.00 28.71 N ATOM 723 NH2 ARG A 79 23.468 46.469 30.352 1.00 23.34 N ATOM 724 HE ARG A 79 21.989 46.228 28.300 1.00 0.00 H ATOM 725 HH12 ARG A 79 24.024 48.998 30.488 1.00 0.00 H ATOM 726 HH11 ARG A 79 23.077 49.463 29.029 1.00 0.00 H ATOM 727 HH22 ARG A 79 24.084 46.693 31.159 1.00 0.00 H ATOM 728 HH21 ARG A 79 23.177 45.486 30.177 1.00 0.00 H ATOM 729 H ARG A 79 20.314 48.427 23.395 1.00 0.00 H ATOM 730 N LEU A 80 23.448 47.547 22.651 1.00 40.18 N ATOM 731 CA LEU A 80 24.589 47.404 21.743 1.00 38.20 C ATOM 732 C LEU A 80 25.246 48.765 21.449 1.00 33.36 C ATOM 733 O LEU A 80 26.434 48.893 21.572 1.00 35.43 O ATOM 734 CB LEU A 80 24.162 46.749 20.436 1.00 39.32 C ATOM 735 CG LEU A 80 23.604 45.343 20.563 1.00 45.30 C ATOM 736 CD1 LEU A 80 22.712 45.061 19.368 1.00 45.34 C ATOM 737 CD2 LEU A 80 24.719 44.291 20.709 1.00 46.16 C ATOM 738 H LEU A 80 22.580 47.001 22.477 1.00 0.00 H ATOM 739 N LYS A 81 24.470 49.774 21.062 1.00 31.02 N ATOM 740 CA LYS A 81 24.986 51.141 20.894 1.00 31.92 C ATOM 741 C LYS A 81 25.735 51.718 22.124 1.00 32.02 C ATOM 742 O LYS A 81 26.832 52.336 22.011 1.00 31.84 O ATOM 743 CB LYS A 81 23.845 52.096 20.458 1.00 34.37 C ATOM 744 CG LYS A 81 24.339 53.530 20.170 1.00 35.36 C ATOM 745 CD LYS A 81 25.602 53.444 19.295 1.00 39.00 C ATOM 746 CE LYS A 81 26.340 54.760 19.090 1.00 38.43 C ATOM 747 NZ LYS A 81 25.540 55.750 18.318 1.00 42.62 N ATOM 748 HZ1 LYS A 81 25.317 55.358 17.381 1.00 0.00 H ATOM 749 HZ2 LYS A 81 24.657 55.954 18.828 1.00 0.00 H ATOM 750 HZ3 LYS A 81 26.089 56.627 18.207 1.00 0.00 H ATOM 751 H LYS A 81 23.464 49.590 20.872 1.00 0.00 H ATOM 752 N GLN A 82 25.147 51.520 23.296 1.00 33.70 N ATOM 753 CA GLN A 82 25.730 52.042 24.553 1.00 33.78 C ATOM 754 C GLN A 82 27.021 51.322 25.020 1.00 33.85 C ATOM 755 O GLN A 82 28.051 51.964 25.303 1.00 32.96 O ATOM 756 CB GLN A 82 24.670 51.983 25.625 1.00 32.92 C ATOM 757 CG GLN A 82 25.155 52.377 27.011 1.00 35.74 C ATOM 758 CD GLN A 82 24.115 52.028 28.070 1.00 33.99 C ATOM 759 OE1 GLN A 82 24.084 52.642 29.129 1.00 36.01 O ATOM 760 NE2 GLN A 82 23.226 51.044 27.767 1.00 31.97 N ATOM 761 HE22 GLN A 82 23.290 50.548 26.855 1.00 0.00 H ATOM 762 HE21 GLN A 82 22.483 50.787 28.447 1.00 0.00 H ATOM 763 H GLN A 82 24.256 50.986 23.333 1.00 0.00 H ATOM 764 N ILE A 83 26.962 49.991 25.093 1.00 31.84 N ATOM 765 CA ILE A 83 28.124 49.193 25.512 1.00 33.71 C ATOM 766 C ILE A 83 29.247 49.205 24.447 1.00 33.22 C ATOM 767 O ILE A 83 30.416 49.425 24.768 1.00 32.34 O ATOM 768 CB ILE A 83 27.688 47.738 25.826 1.00 30.43 C ATOM 769 CG1 ILE A 83 26.639 47.699 26.907 1.00 28.30 C ATOM 770 CG2 ILE A 83 28.858 46.899 26.269 1.00 35.11 C ATOM 771 CD1 ILE A 83 25.655 46.558 26.727 1.00 26.01 C ATOM 772 H ILE A 83 26.075 49.507 24.848 1.00 0.00 H ATOM 773 N TYR A 84 28.880 49.024 23.165 1.00 32.10 N ATOM 774 CA TYR A 84 29.868 48.675 22.124 1.00 27.65 C ATOM 775 C TYR A 84 30.129 49.749 21.096 1.00 28.60 C ATOM 776 O TYR A 84 30.790 49.508 20.066 1.00 26.49 O ATOM 777 CB TYR A 84 29.385 47.425 21.407 1.00 24.50 C ATOM 778 CG TYR A 84 29.404 46.208 22.300 1.00 21.20 C ATOM 779 CD1 TYR A 84 30.620 45.744 22.825 1.00 19.65 C ATOM 780 CD2 TYR A 84 28.241 45.468 22.568 1.00 19.41 C ATOM 781 CE1 TYR A 84 30.661 44.621 23.613 1.00 16.65 C ATOM 782 CE2 TYR A 84 28.284 44.335 23.385 1.00 21.25 C ATOM 783 CZ TYR A 84 29.516 43.919 23.907 1.00 17.20 C ATOM 784 OH TYR A 84 29.641 42.771 24.700 1.00 20.76 O ATOM 785 HH TYR A 84 30.588 42.656 24.965 1.00 0.00 H ATOM 786 H TYR A 84 27.880 49.132 22.902 1.00 0.00 H ATOM 787 N SER A 85 29.612 50.940 21.377 1.00 27.60 N ATOM 788 CA SER A 85 29.519 52.023 20.399 1.00 24.96 C ATOM 789 C SER A 85 29.038 51.579 18.953 1.00 25.97 C ATOM 790 O SER A 85 29.489 52.156 17.924 1.00 25.27 O ATOM 791 CB SER A 85 30.815 52.851 20.407 1.00 21.20 C ATOM 792 OG SER A 85 31.200 53.126 21.764 1.00 24.41 O ATOM 793 HG SER A 85 32.034 53.659 21.768 1.00 0.00 H ATOM 794 H SER A 85 29.256 51.110 22.339 1.00 0.00 H ATOM 795 N PHE A 86 28.115 50.596 18.904 1.00 29.23 N ATOM 796 CA PHE A 86 27.645 49.972 17.630 1.00 25.73 C ATOM 797 C PHE A 86 26.233 50.284 17.165 1.00 30.62 C ATOM 798 O PHE A 86 25.248 49.944 17.850 1.00 34.42 O ATOM 799 CB PHE A 86 27.745 48.428 17.700 1.00 22.81 C ATOM 800 CG PHE A 86 27.362 47.699 16.356 1.00 21.70 C ATOM 801 CD1 PHE A 86 28.154 47.829 15.206 1.00 22.39 C ATOM 802 CD2 PHE A 86 26.250 46.858 16.288 1.00 22.18 C ATOM 803 CE1 PHE A 86 27.837 47.173 14.003 1.00 21.31 C ATOM 804 CE2 PHE A 86 25.918 46.185 15.081 1.00 20.86 C ATOM 805 CZ PHE A 86 26.739 46.310 13.952 1.00 20.67 C ATOM 806 H PHE A 86 27.710 50.255 19.799 1.00 0.00 H ATOM 807 N GLU A 87 26.097 50.808 15.953 1.00 34.55 N ATOM 808 CA GLU A 87 24.774 50.879 15.371 1.00 39.13 C ATOM 809 C GLU A 87 24.812 50.442 13.908 1.00 37.03 C ATOM 810 O GLU A 87 25.825 50.577 13.245 1.00 33.36 O ATOM 811 CB GLU A 87 24.228 52.283 15.495 1.00 48.59 C ATOM 812 CG GLU A 87 25.143 53.343 14.865 1.00 54.41 C ATOM 813 CD GLU A 87 24.351 54.558 14.437 1.00 57.72 C ATOM 814 OE1 GLU A 87 24.228 54.779 13.212 1.00 56.80 O ATOM 815 OE2 GLU A 87 23.823 55.254 15.332 1.00 53.38 O ATOM 816 H GLU A 87 26.925 51.161 15.432 1.00 0.00 H ATOM 817 N TYR A 88 23.702 49.903 13.422 1.00 37.32 N ATOM 818 CA TYR A 88 23.661 49.359 12.074 1.00 38.72 C ATOM 819 C TYR A 88 22.367 49.772 11.345 1.00 42.81 C ATOM 820 O TYR A 88 21.630 48.956 10.741 1.00 37.16 O ATOM 821 CB TYR A 88 23.814 47.864 12.149 1.00 38.28 C ATOM 822 CG TYR A 88 22.724 47.162 12.940 1.00 36.76 C ATOM 823 CD1 TYR A 88 22.581 47.358 14.307 1.00 40.07 C ATOM 824 CD2 TYR A 88 21.849 46.274 12.304 1.00 37.48 C ATOM 825 CE1 TYR A 88 21.617 46.679 15.024 1.00 35.32 C ATOM 826 CE2 TYR A 88 20.868 45.599 13.004 1.00 35.11 C ATOM 827 CZ TYR A 88 20.759 45.802 14.361 1.00 35.95 C ATOM 828 OH TYR A 88 19.787 45.108 15.055 1.00 29.70 O ATOM 829 HH TYR A 88 19.828 45.354 16.013 1.00 0.00 H ATOM 830 H TYR A 88 22.848 49.869 14.014 1.00 0.00 H ATOM 831 N GLU A 89 22.109 51.076 11.422 1.00 39.83 N ATOM 832 CA GLU A 89 21.000 51.688 10.715 1.00 33.84 C ATOM 833 C GLU A 89 21.322 51.841 9.216 1.00 30.91 C ATOM 834 O GLU A 89 20.677 51.245 8.333 1.00 31.05 O ATOM 835 CB GLU A 89 20.713 53.055 11.357 1.00 33.23 C ATOM 836 CG GLU A 89 20.114 52.973 12.763 1.00 32.94 C ATOM 837 CD GLU A 89 18.640 52.570 12.770 1.00 37.46 C ATOM 838 OE1 GLU A 89 17.985 52.534 11.679 1.00 35.38 O ATOM 839 OE2 GLU A 89 18.135 52.265 13.886 1.00 42.36 O ATOM 840 H GLU A 89 22.723 51.676 12.009 1.00 0.00 H ATOM 841 N ALA A 90 22.325 52.646 8.904 1.00 30.87 N ATOM 842 CA ALA A 90 22.640 52.848 7.500 1.00 32.40 C ATOM 843 C ALA A 90 22.979 51.487 6.852 1.00 35.78 C ATOM 844 O ALA A 90 22.754 51.293 5.653 1.00 42.94 O ATOM 845 CB ALA A 90 23.762 53.873 7.320 1.00 33.31 C ATOM 846 H ALA A 90 22.875 53.123 9.647 1.00 0.00 H ATOM 847 N MET A 91 23.518 50.545 7.631 1.00 34.58 N ATOM 848 CA MET A 91 23.514 49.118 7.212 1.00 35.95 C ATOM 849 C MET A 91 22.156 48.611 6.681 1.00 31.08 C ATOM 850 O MET A 91 22.027 48.120 5.555 1.00 31.26 O ATOM 851 CB MET A 91 23.952 48.226 8.379 1.00 34.58 C ATOM 852 CG MET A 91 24.142 46.788 7.979 1.00 35.90 C ATOM 853 SD MET A 91 22.751 45.674 8.235 1.00 44.15 S ATOM 854 CE MET A 91 23.748 44.212 8.510 1.00 35.71 C ATOM 855 H MET A 91 23.945 50.813 8.541 1.00 0.00 H ATOM 856 N LEU A 92 21.128 48.687 7.499 1.00 29.50 N ATOM 857 CA LEU A 92 19.823 48.209 7.006 1.00 29.47 C ATOM 858 C LEU A 92 19.216 49.074 5.893 1.00 35.54 C ATOM 859 O LEU A 92 18.339 48.621 5.134 1.00 34.09 O ATOM 860 CB LEU A 92 18.848 48.120 8.167 1.00 28.49 C ATOM 861 CG LEU A 92 19.116 46.941 9.117 1.00 29.12 C ATOM 862 CD1 LEU A 92 18.340 47.179 10.397 1.00 27.45 C ATOM 863 CD2 LEU A 92 18.760 45.598 8.506 1.00 22.90 C ATOM 864 H LEU A 92 21.232 49.071 8.460 1.00 0.00 H ATOM 865 N ARG A 93 19.681 50.320 5.823 1.00 36.12 N ATOM 866 CA ARG A 93 19.224 51.280 4.853 1.00 37.69 C ATOM 867 C ARG A 93 19.632 50.767 3.516 1.00 38.02 C ATOM 868 O ARG A 93 18.781 50.373 2.732 1.00 45.40 O ATOM 869 CB ARG A 93 19.860 52.646 5.137 1.00 41.75 C ATOM 870 CG ARG A 93 19.207 53.799 4.403 1.00 46.49 C ATOM 871 CD ARG A 93 19.241 55.049 5.268 1.00 51.13 C ATOM 872 NE ARG A 93 17.921 55.706 5.224 1.00 63.69 N ATOM 873 CZ ARG A 93 17.361 56.399 6.221 1.00 55.84 C ATOM 874 NH1 ARG A 93 17.998 56.561 7.379 1.00 57.31 N ATOM 875 NH2 ARG A 93 16.162 56.942 6.047 1.00 53.08 N ATOM 876 HE ARG A 93 17.379 55.623 4.341 1.00 0.00 H ATOM 877 HH12 ARG A 93 17.552 57.102 8.147 1.00 0.00 H ATOM 878 HH11 ARG A 93 18.942 56.146 7.516 1.00 0.00 H ATOM 879 HH22 ARG A 93 15.719 57.483 6.817 1.00 0.00 H ATOM 880 HH21 ARG A 93 15.666 56.827 5.140 1.00 0.00 H ATOM 881 H ARG A 93 20.411 50.614 6.503 1.00 0.00 H ATOM 882 N ARG A 94 20.947 50.721 3.295 1.00 36.33 N ATOM 883 CA ARG A 94 21.560 50.206 2.076 1.00 34.85 C ATOM 884 C ARG A 94 20.891 48.913 1.645 1.00 35.31 C ATOM 885 O ARG A 94 20.500 48.756 0.495 1.00 36.11 O ATOM 886 CB ARG A 94 23.086 50.023 2.264 1.00 36.87 C ATOM 887 CG ARG A 94 23.896 51.304 2.568 1.00 34.28 C ATOM 888 CD ARG A 94 25.378 51.072 2.291 1.00 37.93 C ATOM 889 NE ARG A 94 26.022 50.214 3.303 1.00 47.99 N ATOM 890 CZ ARG A 94 26.564 50.646 4.451 1.00 47.92 C ATOM 891 NH1 ARG A 94 26.534 51.931 4.779 1.00 48.84 N ATOM 892 NH2 ARG A 94 27.130 49.787 5.288 1.00 50.66 N ATOM 893 HE ARG A 94 26.059 49.193 3.111 1.00 0.00 H ATOM 894 HH12 ARG A 94 26.959 52.250 5.673 1.00 0.00 H ATOM 895 HH11 ARG A 94 26.085 52.620 4.142 1.00 0.00 H ATOM 896 HH22 ARG A 94 27.549 50.127 6.177 1.00 0.00 H ATOM 897 HH21 ARG A 94 27.155 48.774 5.055 1.00 0.00 H ATOM 898 H ARG A 94 21.577 51.076 4.042 1.00 0.00 H ATOM 899 N SER A 95 20.694 48.027 2.610 1.00 40.15 N ATOM 900 CA SER A 95 20.161 46.680 2.389 1.00 38.35 C ATOM 901 C SER A 95 18.749 46.696 1.830 1.00 42.18 C ATOM 902 O SER A 95 18.506 46.198 0.730 1.00 50.90 O ATOM 903 CB SER A 95 20.163 45.933 3.723 1.00 31.29 C ATOM 904 OG SER A 95 21.482 45.566 4.085 1.00 30.70 O ATOM 905 HG SER A 95 22.038 46.381 4.171 1.00 0.00 H ATOM 906 H SER A 95 20.932 48.304 3.584 1.00 0.00 H ATOM 907 N ALA A 96 17.828 47.283 2.593 1.00 43.49 N ATOM 908 CA ALA A 96 16.394 47.341 2.253 1.00 42.22 C ATOM 909 C ALA A 96 16.113 48.093 0.970 1.00 39.38 C ATOM 910 O ALA A 96 15.065 47.844 0.330 1.00 38.60 O ATOM 911 CB ALA A 96 15.581 47.945 3.412 1.00 38.02 C ATOM 912 H ALA A 96 18.139 47.727 3.481 1.00 0.00 H ATOM 913 N LEU A 97 17.026 49.022 0.621 1.00 37.89 N ATOM 914 CA LEU A 97 17.003 49.733 -0.678 1.00 34.19 C ATOM 915 C LEU A 97 17.643 48.884 -1.748 1.00 32.47 C ATOM 916 O LEU A 97 17.242 48.919 -2.921 1.00 27.00 O ATOM 917 CB LEU A 97 17.739 51.075 -0.644 1.00 33.12 C ATOM 918 CG LEU A 97 17.296 52.065 0.415 1.00 34.95 C ATOM 919 CD1 LEU A 97 18.111 53.358 0.446 1.00 38.02 C ATOM 920 CD2 LEU A 97 15.837 52.346 0.176 1.00 31.35 C ATOM 921 H LEU A 97 17.783 49.250 1.297 1.00 0.00 H ATOM 922 N ALA A 98 18.659 48.130 -1.352 1.00 30.14 N ATOM 923 CA ALA A 98 19.411 47.387 -2.348 1.00 33.50 C ATOM 924 C ALA A 98 18.474 46.294 -2.838 1.00 32.69 C ATOM 925 O ALA A 98 18.424 45.998 -4.048 1.00 41.25 O ATOM 926 CB ALA A 98 20.712 46.818 -1.744 1.00 27.20 C ATOM 927 H ALA A 98 18.913 48.072 -0.345 1.00 0.00 H ATOM 928 N LEU A 99 17.668 45.763 -1.915 1.00 35.16 N ATOM 929 CA LEU A 99 17.074 44.430 -2.086 1.00 33.21 C ATOM 930 C LEU A 99 15.578 44.328 -2.062 1.00 32.28 C ATOM 931 O LEU A 99 15.032 43.403 -2.669 1.00 30.60 O ATOM 932 CB LEU A 99 17.651 43.431 -1.056 1.00 29.48 C ATOM 933 CG LEU A 99 19.127 43.172 -1.357 1.00 29.36 C ATOM 934 CD1 LEU A 99 19.619 42.106 -0.411 1.00 29.58 C ATOM 935 CD2 LEU A 99 19.471 42.817 -2.827 1.00 31.71 C ATOM 936 H LEU A 99 17.456 46.306 -1.054 1.00 0.00 H ATOM 937 N SER A 100 14.908 45.252 -1.389 1.00 36.68 N ATOM 938 CA SER A 100 13.471 45.156 -1.281 1.00 39.60 C ATOM 939 C SER A 100 12.780 46.207 -2.164 1.00 44.69 C ATOM 940 O SER A 100 13.293 47.333 -2.322 1.00 44.58 O ATOM 941 CB SER A 100 13.019 45.207 0.193 1.00 43.61 C ATOM 942 OG SER A 100 12.790 46.538 0.611 1.00 44.10 O ATOM 943 HG SER A 100 13.626 47.060 0.518 1.00 0.00 H ATOM 944 H SER A 100 15.414 46.042 -0.941 1.00 0.00 H ATOM 945 N PRO A 101 11.619 45.825 -2.737 1.00 45.68 N ATOM 946 CA PRO A 101 10.822 46.584 -3.687 1.00 48.09 C ATOM 947 C PRO A 101 10.167 47.756 -3.010 1.00 51.69 C ATOM 948 O PRO A 101 10.412 48.896 -3.422 1.00 56.21 O ATOM 949 CB PRO A 101 9.750 45.583 -4.121 1.00 50.69 C ATOM 950 CG PRO A 101 10.284 44.227 -3.732 1.00 47.52 C ATOM 951 CD PRO A 101 10.971 44.536 -2.436 1.00 47.19 C ATOM 952 N ASP A 102 9.363 47.486 -1.974 1.00 50.81 N ATOM 953 CA ASP A 102 8.671 48.530 -1.211 1.00 48.48 C ATOM 954 C ASP A 102 9.630 49.299 -0.331 1.00 47.59 C ATOM 955 O ASP A 102 9.201 50.077 0.511 1.00 51.25 O ATOM 956 CB ASP A 102 7.613 47.907 -0.304 1.00 53.01 C ATOM 957 CG ASP A 102 8.173 46.785 0.560 1.00 57.47 C ATOM 958 OD1 ASP A 102 9.405 46.535 0.517 1.00 51.87 O ATOM 959 OD2 ASP A 102 7.370 46.143 1.280 1.00 62.49 O ATOM 960 H ASP A 102 9.223 46.493 -1.698 1.00 0.00 H ATOM 961 N ARG A 103 10.920 49.033 -0.519 1.00 44.49 N ATOM 962 CA ARG A 103 11.999 49.520 0.324 1.00 42.61 C ATOM 963 C ARG A 103 11.754 49.240 1.835 1.00 43.89 C ATOM 964 O ARG A 103 12.238 49.961 2.714 1.00 41.69 O ATOM 965 CB ARG A 103 12.286 50.996 0.016 1.00 48.29 C ATOM 966 CG ARG A 103 12.654 51.293 -1.450 1.00 43.47 C ATOM 967 CD ARG A 103 12.323 52.746 -1.839 1.00 42.03 C ATOM 968 NE ARG A 103 12.735 53.708 -0.806 1.00 42.71 N ATOM 969 CZ ARG A 103 13.515 54.783 -1.007 1.00 42.72 C ATOM 970 NH1 ARG A 103 13.985 55.079 -2.233 1.00 40.83 N ATOM 971 NH2 ARG A 103 13.842 55.572 0.032 1.00 36.49 N ATOM 972 HE ARG A 103 12.394 53.542 0.162 1.00 0.00 H ATOM 973 HH12 ARG A 103 14.588 55.915 -2.371 1.00 0.00 H ATOM 974 HH11 ARG A 103 13.745 54.471 -3.042 1.00 0.00 H ATOM 975 HH22 ARG A 103 14.446 56.406 -0.118 1.00 0.00 H ATOM 976 HH21 ARG A 103 13.491 55.349 0.985 1.00 0.00 H ATOM 977 H ARG A 103 11.175 48.432 -1.329 1.00 0.00 H ATOM 978 N CYS A 104 11.006 48.175 2.140 1.00 43.84 N ATOM 979 CA CYS A 104 10.831 47.764 3.535 1.00 40.94 C ATOM 980 C CYS A 104 11.336 46.356 3.795 1.00 45.76 C ATOM 981 O CYS A 104 11.417 45.503 2.878 1.00 41.72 O ATOM 982 CB CYS A 104 9.391 47.862 3.987 1.00 45.47 C ATOM 983 SG CYS A 104 8.720 49.513 3.801 1.00 41.51 S ATOM 984 H CYS A 104 10.545 47.634 1.381 1.00 0.00 H ATOM 985 N LEU A 105 11.671 46.133 5.069 1.00 38.26 N ATOM 986 CA LEU A 105 12.274 44.912 5.494 1.00 33.25 C ATOM 987 C LEU A 105 12.008 44.682 6.952 1.00 36.38 C ATOM 988 O LEU A 105 11.820 45.643 7.725 1.00 34.19 O ATOM 989 CB LEU A 105 13.782 44.954 5.216 1.00 26.27 C ATOM 990 CG LEU A 105 14.849 45.716 5.992 1.00 23.55 C ATOM 991 CD1 LEU A 105 14.753 45.730 7.544 1.00 23.12 C ATOM 992 CD2 LEU A 105 16.144 45.024 5.555 1.00 24.08 C ATOM 993 H LEU A 105 11.486 46.874 5.774 1.00 0.00 H ATOM 994 N SER A 106 12.016 43.406 7.343 1.00 33.13 N ATOM 995 CA SER A 106 11.847 43.070 8.748 1.00 31.80 C ATOM 996 C SER A 106 13.201 42.881 9.401 1.00 31.87 C ATOM 997 O SER A 106 14.155 42.445 8.764 1.00 28.79 O ATOM 998 CB SER A 106 10.938 41.850 8.884 1.00 32.86 C ATOM 999 OG SER A 106 9.695 42.157 8.237 1.00 33.60 O ATOM 1000 HG SER A 106 9.085 41.380 8.311 1.00 0.00 H ATOM 1001 H SER A 106 12.143 42.649 6.641 1.00 0.00 H ATOM 1002 N LEU A 107 13.291 43.336 10.642 1.00 35.80 N ATOM 1003 CA LEU A 107 14.459 43.129 11.454 1.00 38.42 C ATOM 1004 C LEU A 107 14.077 42.188 12.570 1.00 35.37 C ATOM 1005 O LEU A 107 13.307 42.555 13.460 1.00 38.99 O ATOM 1006 CB LEU A 107 14.937 44.471 12.004 1.00 38.92 C ATOM 1007 CG LEU A 107 16.397 44.618 12.412 1.00 40.90 C ATOM 1008 CD1 LEU A 107 16.503 44.567 13.923 1.00 47.61 C ATOM 1009 CD2 LEU A 107 17.296 43.574 11.761 1.00 42.26 C ATOM 1010 H LEU A 107 12.488 43.862 11.043 1.00 0.00 H ATOM 1011 N GLU A 108 14.580 40.956 12.516 1.00 34.36 N ATOM 1012 CA GLU A 108 14.357 40.001 13.615 1.00 28.08 C ATOM 1013 C GLU A 108 15.611 39.712 14.512 1.00 29.07 C ATOM 1014 O GLU A 108 16.728 39.494 14.008 1.00 28.01 O ATOM 1015 CB GLU A 108 13.628 38.730 13.092 1.00 33.31 C ATOM 1016 CG GLU A 108 13.382 37.699 14.181 1.00 35.13 C ATOM 1017 CD GLU A 108 12.395 36.599 13.832 1.00 38.11 C ATOM 1018 OE1 GLU A 108 11.699 36.646 12.789 1.00 42.16 O ATOM 1019 OE2 GLU A 108 12.302 35.666 14.662 1.00 39.98 O ATOM 1020 H GLU A 108 15.137 40.665 11.688 1.00 0.00 H ATOM 1021 N GLN A 109 15.425 39.769 15.851 1.00 30.15 N ATOM 1022 CA GLN A 109 16.553 39.733 16.810 1.00 27.59 C ATOM 1023 C GLN A 109 16.231 39.149 18.193 1.00 24.40 C ATOM 1024 O GLN A 109 15.073 39.150 18.613 1.00 25.32 O ATOM 1025 CB GLN A 109 17.212 41.134 16.922 1.00 29.24 C ATOM 1026 CG GLN A 109 16.867 41.943 18.175 1.00 26.15 C ATOM 1027 CD GLN A 109 16.884 43.451 17.925 1.00 29.04 C ATOM 1028 OE1 GLN A 109 17.913 44.157 18.120 1.00 28.59 O ATOM 1029 NE2 GLN A 109 15.753 43.956 17.453 1.00 27.59 N ATOM 1030 HE22 GLN A 109 14.929 43.339 17.307 1.00 0.00 H ATOM 1031 HE21 GLN A 109 15.690 44.970 17.228 1.00 0.00 H ATOM 1032 H GLN A 109 14.455 39.841 16.220 1.00 0.00 H ATOM 1033 N SER A 110 17.259 38.649 18.901 1.00 23.87 N ATOM 1034 CA SER A 110 17.111 38.069 20.265 1.00 24.47 C ATOM 1035 C SER A 110 16.822 39.088 21.332 1.00 24.21 C ATOM 1036 O SER A 110 17.332 40.242 21.277 1.00 24.11 O ATOM 1037 CB SER A 110 18.427 37.387 20.709 1.00 25.69 C ATOM 1038 OG SER A 110 18.160 36.066 21.170 1.00 21.30 O ATOM 1039 HG SER A 110 19.007 35.638 21.452 1.00 0.00 H ATOM 1040 H SER A 110 18.207 38.668 18.474 1.00 0.00 H ATOM 1041 N THR A 111 16.071 38.628 22.348 1.00 27.85 N ATOM 1042 CA THR A 111 15.826 39.413 23.573 1.00 29.46 C ATOM 1043 C THR A 111 16.452 38.629 24.685 1.00 33.22 C ATOM 1044 O THR A 111 16.255 38.889 25.897 1.00 33.46 O ATOM 1045 CB THR A 111 14.341 39.513 23.874 1.00 26.60 C ATOM 1046 OG1 THR A 111 13.776 38.193 24.022 1.00 26.14 O ATOM 1047 CG2 THR A 111 13.681 40.224 22.789 1.00 26.77 C ATOM 1048 HG1 THR A 111 14.229 37.723 24.767 1.00 0.00 H ATOM 1049 H THR A 111 15.646 37.682 22.267 1.00 0.00 H ATOM 1050 N GLN A 112 17.218 37.635 24.249 1.00 34.18 N ATOM 1051 CA GLN A 112 17.545 36.530 25.107 1.00 32.39 C ATOM 1052 C GLN A 112 18.988 36.152 24.930 1.00 33.13 C ATOM 1053 O GLN A 112 19.504 36.039 23.790 1.00 32.25 O ATOM 1054 CB GLN A 112 16.610 35.374 24.822 1.00 28.40 C ATOM 1055 CG GLN A 112 15.296 35.514 25.571 1.00 28.44 C ATOM 1056 CD GLN A 112 14.542 34.203 25.669 1.00 29.89 C ATOM 1057 OE1 GLN A 112 14.739 33.300 24.865 1.00 30.08 O ATOM 1058 NE2 GLN A 112 13.667 34.095 26.657 1.00 31.70 N ATOM 1059 HE22 GLN A 112 13.530 34.886 27.319 1.00 0.00 H ATOM 1060 HE21 GLN A 112 13.117 33.220 26.771 1.00 0.00 H ATOM 1061 H GLN A 112 17.585 37.657 23.276 1.00 0.00 H ATOM 1062 N THR A 113 19.663 36.041 26.059 1.00 31.04 N ATOM 1063 CA THR A 113 21.092 35.703 26.062 1.00 31.48 C ATOM 1064 C THR A 113 21.300 34.191 26.059 1.00 30.56 C ATOM 1065 O THR A 113 20.492 33.432 26.610 1.00 32.25 O ATOM 1066 CB THR A 113 21.860 36.399 27.185 1.00 29.60 C ATOM 1067 OG1 THR A 113 23.192 35.891 27.229 1.00 31.11 O ATOM 1068 CG2 THR A 113 21.190 36.173 28.532 1.00 29.70 C ATOM 1069 HG1 THR A 113 23.167 34.916 27.398 1.00 0.00 H ATOM 1070 H THR A 113 19.173 36.196 26.963 1.00 0.00 H ATOM 1071 N VAL A 114 22.314 33.757 25.317 1.00 32.91 N ATOM 1072 CA VAL A 114 22.815 32.372 25.376 1.00 30.63 C ATOM 1073 C VAL A 114 24.215 32.319 26.060 1.00 26.98 C ATOM 1074 O VAL A 114 24.637 31.295 26.562 1.00 24.02 O ATOM 1075 CB VAL A 114 22.904 31.754 23.964 1.00 32.32 C ATOM 1076 CG1 VAL A 114 21.604 31.062 23.572 1.00 30.76 C ATOM 1077 CG2 VAL A 114 23.314 32.803 22.928 1.00 33.09 C ATOM 1078 H VAL A 114 22.774 34.424 24.666 1.00 0.00 H ATOM 1079 N GLN A 115 24.926 33.438 26.020 1.00 27.62 N ATOM 1080 CA GLN A 115 26.238 33.586 26.573 1.00 27.93 C ATOM 1081 C GLN A 115 26.182 33.937 28.059 1.00 27.73 C ATOM 1082 O GLN A 115 25.196 34.543 28.516 1.00 29.20 O ATOM 1083 CB GLN A 115 26.930 34.697 25.765 1.00 34.70 C ATOM 1084 CG GLN A 115 28.444 34.837 25.992 1.00 45.35 C ATOM 1085 CD GLN A 115 29.166 35.479 24.809 1.00 49.96 C ATOM 1086 OE1 GLN A 115 28.691 35.379 23.670 1.00 56.48 O ATOM 1087 NE2 GLN A 115 30.318 36.137 25.067 1.00 48.22 N ATOM 1088 HE22 GLN A 115 30.677 36.194 26.041 1.00 0.00 H ATOM 1089 HE21 GLN A 115 30.845 36.586 24.291 1.00 0.00 H ATOM 1090 H GLN A 115 24.501 34.265 25.555 1.00 0.00 H ATOM 1091 N GLY A 116 27.215 33.518 28.813 1.00 28.26 N ATOM 1092 CA GLY A 116 27.543 34.012 30.157 1.00 21.21 C ATOM 1093 C GLY A 116 28.245 35.354 30.085 1.00 24.42 C ATOM 1094 O GLY A 116 29.055 35.616 29.177 1.00 23.68 O ATOM 1095 H GLY A 116 27.832 32.784 28.411 1.00 0.00 H ATOM 1096 N PRO A 117 27.937 36.227 31.037 1.00 23.33 N ATOM 1097 CA PRO A 117 28.426 37.625 31.051 1.00 30.19 C ATOM 1098 C PRO A 117 29.916 37.747 30.736 1.00 34.57 C ATOM 1099 O PRO A 117 30.369 38.760 30.154 1.00 38.76 O ATOM 1100 CB PRO A 117 28.194 38.107 32.517 1.00 23.86 C ATOM 1101 CG PRO A 117 27.759 36.895 33.292 1.00 23.85 C ATOM 1102 CD PRO A 117 27.408 35.772 32.327 1.00 23.63 C ATOM 1103 N ASP A 118 30.655 36.691 31.084 1.00 37.04 N ATOM 1104 CA ASP A 118 32.096 36.767 31.271 1.00 33.08 C ATOM 1105 C ASP A 118 32.809 36.018 30.219 1.00 35.83 C ATOM 1106 O ASP A 118 34.032 36.159 30.056 1.00 34.46 O ATOM 1107 CB ASP A 118 32.414 36.110 32.589 1.00 33.15 C ATOM 1108 CG ASP A 118 32.053 36.973 33.728 1.00 34.36 C ATOM 1109 OD1 ASP A 118 32.454 38.172 33.659 1.00 27.15 O ATOM 1110 OD2 ASP A 118 31.398 36.433 34.686 1.00 37.80 O ATOM 1111 H ASP A 118 30.181 35.776 31.227 1.00 0.00 H ATOM 1112 N SER A 119 32.021 35.165 29.566 1.00 37.99 N ATOM 1113 CA SER A 119 32.436 34.314 28.469 1.00 38.91 C ATOM 1114 C SER A 119 32.960 35.136 27.251 1.00 35.11 C ATOM 1115 O SER A 119 32.782 36.392 27.155 1.00 30.01 O ATOM 1116 CB SER A 119 31.295 33.347 28.111 1.00 38.17 C ATOM 1117 OG SER A 119 31.662 32.457 27.053 1.00 40.97 O ATOM 1118 HG SER A 119 32.447 31.922 27.331 1.00 0.00 H ATOM 1119 H SER A 119 31.028 35.105 29.868 1.00 0.00 H ATOM 1120 N ALA A 120 33.696 34.436 26.384 1.00 29.45 N ATOM 1121 CA ALA A 120 34.216 35.051 25.172 1.00 31.33 C ATOM 1122 C ALA A 120 33.944 34.129 23.971 1.00 32.25 C ATOM 1123 O ALA A 120 34.530 34.285 22.894 1.00 34.41 O ATOM 1124 CB ALA A 120 35.708 35.387 25.348 1.00 33.55 C ATOM 1125 H ALA A 120 33.901 33.435 26.578 1.00 0.00 H ATOM 1126 N ALA A 121 33.013 33.189 24.173 1.00 29.07 N ATOM 1127 CA ALA A 121 32.493 32.331 23.118 1.00 31.25 C ATOM 1128 C ALA A 121 31.589 33.110 22.130 1.00 31.56 C ATOM 1129 O ALA A 121 30.768 32.519 21.431 1.00 29.40 O ATOM 1130 CB ALA A 121 31.750 31.123 23.738 1.00 28.17 C ATOM 1131 H ALA A 121 32.641 33.065 25.136 1.00 0.00 H ATOM 1132 N CYS A 122 31.782 34.437 22.050 1.00 35.86 N ATOM 1133 CA CYS A 122 30.911 35.294 21.216 1.00 38.10 C ATOM 1134 C CYS A 122 30.884 34.957 19.705 1.00 35.75 C ATOM 1135 O CYS A 122 29.826 34.961 19.113 1.00 39.07 O ATOM 1136 CB CYS A 122 31.145 36.776 21.499 1.00 34.10 C ATOM 1137 SG CYS A 122 32.819 37.308 21.103 1.00 40.10 S ATOM 1138 H CYS A 122 32.560 34.871 22.586 1.00 0.00 H ATOM 1139 N GLY A 123 32.007 34.633 19.090 1.00 35.34 N ATOM 1140 CA GLY A 123 31.979 34.138 17.687 1.00 32.91 C ATOM 1141 C GLY A 123 31.454 32.718 17.529 1.00 29.85 C ATOM 1142 O GLY A 123 30.605 32.427 16.677 1.00 31.03 O ATOM 1143 H GLY A 123 32.915 34.724 19.589 1.00 0.00 H ATOM 1144 N LEU A 124 31.943 31.815 18.355 1.00 30.64 N ATOM 1145 CA LEU A 124 31.470 30.410 18.355 1.00 31.81 C ATOM 1146 C LEU A 124 29.928 30.219 18.427 1.00 33.23 C ATOM 1147 O LEU A 124 29.354 29.266 17.850 1.00 33.44 O ATOM 1148 CB LEU A 124 32.152 29.643 19.489 1.00 29.96 C ATOM 1149 CG LEU A 124 33.674 29.840 19.653 1.00 29.46 C ATOM 1150 CD1 LEU A 124 34.166 28.840 20.675 1.00 27.46 C ATOM 1151 CD2 LEU A 124 34.455 29.662 18.359 1.00 32.27 C ATOM 1152 H LEU A 124 32.684 32.097 19.028 1.00 0.00 H ATOM 1153 N PHE A 125 29.272 31.121 19.147 1.00 33.65 N ATOM 1154 CA PHE A 125 27.815 31.154 19.235 1.00 30.15 C ATOM 1155 C PHE A 125 27.322 31.759 17.946 1.00 28.67 C ATOM 1156 O PHE A 125 26.402 31.238 17.337 1.00 35.57 O ATOM 1157 CB PHE A 125 27.352 32.070 20.381 1.00 24.81 C ATOM 1158 CG PHE A 125 27.396 31.451 21.762 1.00 26.80 C ATOM 1159 CD1 PHE A 125 26.701 30.280 22.060 1.00 24.67 C ATOM 1160 CD2 PHE A 125 28.034 32.127 22.804 1.00 22.35 C ATOM 1161 CE1 PHE A 125 26.745 29.734 23.336 1.00 27.80 C ATOM 1162 CE2 PHE A 125 28.052 31.608 24.085 1.00 25.50 C ATOM 1163 CZ PHE A 125 27.422 30.405 24.359 1.00 27.06 C ATOM 1164 H PHE A 125 29.819 31.834 19.670 1.00 0.00 H ATOM 1165 N CYS A 126 27.893 32.899 17.551 1.00 30.93 N ATOM 1166 CA CYS A 126 27.543 33.520 16.265 1.00 29.05 C ATOM 1167 C CYS A 126 27.637 32.491 15.187 1.00 30.14 C ATOM 1168 O CYS A 126 26.793 32.471 14.280 1.00 30.89 O ATOM 1169 CB CYS A 126 28.528 34.608 15.891 1.00 29.99 C ATOM 1170 SG CYS A 126 28.211 36.165 16.697 1.00 28.56 S ATOM 1171 H CYS A 126 28.598 33.356 18.164 1.00 0.00 H ATOM 1172 N CYS A 127 28.701 31.657 15.234 1.00 32.19 N ATOM 1173 CA CYS A 127 28.843 30.575 14.224 1.00 28.89 C ATOM 1174 C CYS A 127 27.708 29.583 14.349 1.00 26.88 C ATOM 1175 O CYS A 127 27.315 28.993 13.372 1.00 33.34 O ATOM 1176 CB CYS A 127 30.162 29.781 14.336 1.00 25.37 C ATOM 1177 SG CYS A 127 31.674 30.718 14.007 1.00 35.71 S ATOM 1178 H CYS A 127 29.420 31.773 15.977 1.00 0.00 H ATOM 1179 N MET A 128 27.229 29.341 15.560 1.00 28.51 N ATOM 1180 CA MET A 128 26.235 28.298 15.773 1.00 29.00 C ATOM 1181 C MET A 128 24.896 28.735 15.150 1.00 33.61 C ATOM 1182 O MET A 128 24.236 27.940 14.461 1.00 36.20 O ATOM 1183 CB MET A 128 26.082 28.028 17.278 1.00 28.08 C ATOM 1184 CG MET A 128 25.733 26.574 17.625 1.00 25.57 C ATOM 1185 SD MET A 128 25.517 26.200 19.406 1.00 31.78 S ATOM 1186 CE MET A 128 24.334 24.876 19.132 1.00 25.19 C ATOM 1187 H MET A 128 27.567 29.902 16.368 1.00 0.00 H ATOM 1188 N PHE A 129 24.500 29.984 15.427 1.00 30.37 N ATOM 1189 CA PHE A 129 23.373 30.617 14.730 1.00 34.00 C ATOM 1190 C PHE A 129 23.609 30.637 13.214 1.00 29.23 C ATOM 1191 O PHE A 129 22.664 30.590 12.428 1.00 33.07 O ATOM 1192 CB PHE A 129 23.167 32.070 15.224 1.00 36.44 C ATOM 1193 CG PHE A 129 22.113 32.850 14.444 1.00 39.64 C ATOM 1194 CD1 PHE A 129 20.746 32.707 14.750 1.00 43.32 C ATOM 1195 CD2 PHE A 129 22.476 33.729 13.384 1.00 39.01 C ATOM 1196 CE1 PHE A 129 19.767 33.396 14.015 1.00 40.48 C ATOM 1197 CE2 PHE A 129 21.496 34.418 12.660 1.00 41.07 C ATOM 1198 CZ PHE A 129 20.142 34.245 12.971 1.00 39.21 C ATOM 1199 H PHE A 129 25.006 30.522 16.159 1.00 0.00 H ATOM 1200 N LEU A 130 24.837 30.757 12.754 1.00 25.24 N ATOM 1201 CA LEU A 130 24.928 30.830 11.299 1.00 26.09 C ATOM 1202 C LEU A 130 24.803 29.479 10.640 1.00 24.72 C ATOM 1203 O LEU A 130 24.690 29.416 9.425 1.00 31.13 O ATOM 1204 CB LEU A 130 26.129 31.607 10.826 1.00 26.53 C ATOM 1205 CG LEU A 130 25.845 33.096 10.838 1.00 29.92 C ATOM 1206 CD1 LEU A 130 26.912 33.747 9.987 1.00 29.01 C ATOM 1207 CD2 LEU A 130 24.463 33.477 10.289 1.00 29.83 C ATOM 1208 H LEU A 130 25.671 30.796 13.374 1.00 0.00 H ATOM 1209 N HIS A 131 24.834 28.410 11.455 1.00 25.91 N ATOM 1210 CA HIS A 131 24.518 27.046 11.022 1.00 25.84 C ATOM 1211 C HIS A 131 23.018 26.865 11.003 1.00 29.19 C ATOM 1212 O HIS A 131 22.473 26.264 10.101 1.00 28.10 O ATOM 1213 CB HIS A 131 25.107 26.006 11.979 1.00 22.89 C ATOM 1214 CG HIS A 131 24.809 24.588 11.583 1.00 20.39 C ATOM 1215 ND1 HIS A 131 23.673 23.911 11.994 1.00 18.12 N ATOM 1216 CD2 HIS A 131 25.462 23.757 10.731 1.00 18.84 C ATOM 1217 CE1 HIS A 131 23.660 22.713 11.424 1.00 18.37 C ATOM 1218 NE2 HIS A 131 24.727 22.603 10.640 1.00 15.46 N ATOM 1219 H HIS A 131 25.097 28.560 12.450 1.00 0.00 H ATOM 1220 N ALA A 132 22.354 27.323 12.066 1.00 31.29 N ATOM 1221 CA ALA A 132 20.900 27.220 12.112 1.00 32.90 C ATOM 1222 C ALA A 132 20.287 28.104 11.031 1.00 34.65 C ATOM 1223 O ALA A 132 19.282 27.732 10.409 1.00 29.06 O ATOM 1224 CB ALA A 132 20.370 27.600 13.485 1.00 37.41 C ATOM 1225 H ALA A 132 22.872 27.752 12.859 1.00 0.00 H ATOM 1226 N PHE A 133 20.892 29.274 10.789 1.00 31.64 N ATOM 1227 CA PHE A 133 20.290 30.114 9.775 1.00 36.00 C ATOM 1228 C PHE A 133 20.428 29.455 8.410 1.00 31.42 C ATOM 1229 O PHE A 133 19.427 29.321 7.717 1.00 35.06 O ATOM 1230 CB PHE A 133 20.759 31.562 9.803 1.00 30.38 C ATOM 1231 CG PHE A 133 20.480 32.309 8.533 1.00 34.19 C ATOM 1232 CD1 PHE A 133 19.202 32.798 8.242 1.00 35.57 C ATOM 1233 CD2 PHE A 133 21.518 32.583 7.648 1.00 35.82 C ATOM 1234 CE1 PHE A 133 18.981 33.524 7.088 1.00 38.14 C ATOM 1235 CE2 PHE A 133 21.308 33.312 6.488 1.00 38.31 C ATOM 1236 CZ PHE A 133 20.029 33.769 6.197 1.00 40.21 C ATOM 1237 H PHE A 133 21.749 29.564 11.302 1.00 0.00 H ATOM 1238 N VAL A 134 21.610 28.952 8.053 1.00 33.44 N ATOM 1239 CA VAL A 134 21.719 28.414 6.697 1.00 31.60 C ATOM 1240 C VAL A 134 21.076 27.088 6.466 1.00 32.78 C ATOM 1241 O VAL A 134 21.208 26.554 5.384 1.00 34.47 O ATOM 1242 CB VAL A 134 23.126 28.453 6.048 1.00 34.01 C ATOM 1243 CG1 VAL A 134 23.639 29.880 6.002 1.00 30.02 C ATOM 1244 CG2 VAL A 134 24.116 27.466 6.701 1.00 28.72 C ATOM 1245 H VAL A 134 22.417 28.943 8.708 1.00 0.00 H ATOM 1246 N HIS A 135 20.363 26.549 7.447 1.00 36.63 N ATOM 1247 CA HIS A 135 19.558 25.336 7.195 1.00 36.16 C ATOM 1248 C HIS A 135 18.073 25.514 7.482 1.00 35.26 C ATOM 1249 O HIS A 135 17.253 24.722 7.016 1.00 30.03 O ATOM 1250 CB HIS A 135 20.066 24.172 8.026 1.00 43.45 C ATOM 1251 CG HIS A 135 21.528 23.912 7.864 1.00 44.68 C ATOM 1252 ND1 HIS A 135 22.488 24.873 8.129 1.00 47.69 N ATOM 1253 CD2 HIS A 135 22.195 22.795 7.476 1.00 48.98 C ATOM 1254 CE1 HIS A 135 23.684 24.358 7.906 1.00 55.61 C ATOM 1255 NE2 HIS A 135 23.534 23.100 7.506 1.00 57.88 N ATOM 1256 H HIS A 135 20.371 26.980 8.393 1.00 0.00 H ATOM 1257 N TRP A 136 17.712 26.527 8.273 1.00 38.14 N ATOM 1258 CA TRP A 136 16.287 26.792 8.525 1.00 38.31 C ATOM 1259 C TRP A 136 16.025 28.282 8.599 1.00 31.69 C ATOM 1260 O TRP A 136 15.732 28.782 9.647 1.00 29.00 O ATOM 1261 CB TRP A 136 15.871 26.146 9.838 1.00 38.25 C ATOM 1262 CG TRP A 136 16.245 24.710 9.928 1.00 40.84 C ATOM 1263 CD1 TRP A 136 15.497 23.629 9.496 1.00 38.86 C ATOM 1264 CD2 TRP A 136 17.472 24.170 10.456 1.00 40.64 C ATOM 1265 NE1 TRP A 136 16.184 22.464 9.741 1.00 41.71 N ATOM 1266 CE2 TRP A 136 17.389 22.759 10.341 1.00 38.03 C ATOM 1267 CE3 TRP A 136 18.629 24.738 11.028 1.00 37.50 C ATOM 1268 CZ2 TRP A 136 18.428 21.903 10.775 1.00 38.04 C ATOM 1269 CZ3 TRP A 136 19.666 23.866 11.476 1.00 34.48 C ATOM 1270 CH2 TRP A 136 19.553 22.477 11.321 1.00 35.05 C ATOM 1271 HE1 TRP A 136 15.847 21.508 9.509 1.00 0.00 H ATOM 1272 H TRP A 136 18.438 27.129 8.711 1.00 0.00 H ATOM 1273 N PRO A 137 16.164 28.995 7.491 1.00 34.75 N ATOM 1274 CA PRO A 137 16.310 30.445 7.618 1.00 30.98 C ATOM 1275 C PRO A 137 14.965 31.144 7.838 1.00 30.67 C ATOM 1276 O PRO A 137 14.890 32.353 8.006 1.00 26.40 O ATOM 1277 CB PRO A 137 16.955 30.827 6.282 1.00 32.74 C ATOM 1278 CG PRO A 137 17.415 29.539 5.645 1.00 28.81 C ATOM 1279 CD PRO A 137 16.409 28.552 6.097 1.00 33.36 C ATOM 1280 N ASP A 138 13.906 30.348 7.802 1.00 34.45 N ATOM 1281 CA ASP A 138 12.549 30.787 8.074 1.00 34.87 C ATOM 1282 C ASP A 138 12.298 30.851 9.594 1.00 37.09 C ATOM 1283 O ASP A 138 11.583 31.706 10.067 1.00 40.28 O ATOM 1284 CB ASP A 138 11.581 29.803 7.416 1.00 34.40 C ATOM 1285 CG ASP A 138 11.586 29.882 5.853 1.00 40.19 C ATOM 1286 OD1 ASP A 138 12.522 30.422 5.194 1.00 38.38 O ATOM 1287 OD2 ASP A 138 10.619 29.349 5.254 1.00 53.03 O ATOM 1288 H ASP A 138 14.056 29.347 7.564 1.00 0.00 H ATOM 1289 N ARG A 139 12.904 29.943 10.351 1.00 38.33 N ATOM 1290 CA ARG A 139 12.785 29.916 11.814 1.00 35.04 C ATOM 1291 C ARG A 139 14.172 29.760 12.386 1.00 33.33 C ATOM 1292 O ARG A 139 14.482 28.690 12.894 1.00 33.19 O ATOM 1293 CB ARG A 139 11.926 28.714 12.269 1.00 38.34 C ATOM 1294 CG ARG A 139 11.882 27.498 11.305 1.00 45.22 C ATOM 1295 CD ARG A 139 11.411 26.193 11.996 1.00 54.79 C ATOM 1296 NE ARG A 139 11.662 24.951 11.220 1.00 69.11 N ATOM 1297 CZ ARG A 139 11.810 23.709 11.731 1.00 74.86 C ATOM 1298 NH1 ARG A 139 11.763 23.495 13.043 1.00 79.62 N ATOM 1299 NH2 ARG A 139 12.026 22.655 10.934 1.00 69.28 N ATOM 1300 HE ARG A 139 11.730 25.047 10.187 1.00 0.00 H ATOM 1301 HH12 ARG A 139 11.879 22.532 13.417 1.00 0.00 H ATOM 1302 HH11 ARG A 139 11.610 24.291 13.695 1.00 0.00 H ATOM 1303 HH22 ARG A 139 12.138 21.706 11.345 1.00 0.00 H ATOM 1304 HH21 ARG A 139 12.082 22.785 9.904 1.00 0.00 H ATOM 1305 H ARG A 139 13.489 29.219 9.887 1.00 0.00 H ATOM 1306 N PRO A 140 15.034 30.799 12.309 1.00 31.06 N ATOM 1307 CA PRO A 140 16.413 30.545 12.806 1.00 28.51 C ATOM 1308 C PRO A 140 16.605 30.650 14.341 1.00 30.63 C ATOM 1309 O PRO A 140 17.363 29.859 14.936 1.00 28.87 O ATOM 1310 CB PRO A 140 17.256 31.577 12.058 1.00 30.16 C ATOM 1311 CG PRO A 140 16.300 32.672 11.694 1.00 28.41 C ATOM 1312 CD PRO A 140 14.858 32.193 11.842 1.00 29.09 C ATOM 1313 N MET A 141 15.882 31.563 14.977 1.00 26.37 N ATOM 1314 CA MET A 141 16.060 31.859 16.377 1.00 27.13 C ATOM 1315 C MET A 141 15.666 30.784 17.398 1.00 29.85 C ATOM 1316 O MET A 141 16.210 30.780 18.487 1.00 24.68 O ATOM 1317 CB MET A 141 15.364 33.162 16.716 1.00 28.81 C ATOM 1318 CG MET A 141 15.873 34.323 15.908 1.00 33.65 C ATOM 1319 SD MET A 141 17.203 35.193 16.763 1.00 37.79 S ATOM 1320 CE MET A 141 17.828 36.207 15.405 1.00 36.88 C ATOM 1321 H MET A 141 15.158 32.086 14.444 1.00 0.00 H ATOM 1322 N ASP A 142 14.762 29.859 17.051 1.00 31.21 N ATOM 1323 CA ASP A 142 14.251 28.853 17.998 1.00 36.24 C ATOM 1324 C ASP A 142 13.449 27.808 17.204 1.00 34.34 C ATOM 1325 O ASP A 142 13.002 28.073 16.090 1.00 36.70 O ATOM 1326 CB ASP A 142 13.388 29.527 19.121 1.00 35.64 C ATOM 1327 CG ASP A 142 13.408 28.759 20.472 1.00 43.46 C ATOM 1328 OD1 ASP A 142 13.139 27.541 20.505 1.00 49.09 O ATOM 1329 OD2 ASP A 142 13.694 29.373 21.536 1.00 40.67 O ATOM 1330 H ASP A 142 14.406 29.851 16.074 1.00 0.00 H ATOM 1331 N GLY A 143 13.309 26.612 17.757 1.00 35.54 N ATOM 1332 CA GLY A 143 12.476 25.584 17.144 1.00 35.05 C ATOM 1333 C GLY A 143 13.091 25.172 15.823 1.00 40.59 C ATOM 1334 O GLY A 143 12.398 25.113 14.818 1.00 41.49 O ATOM 1335 H GLY A 143 13.804 26.402 18.647 1.00 0.00 H ATOM 1336 N ASN A 144 14.410 24.968 15.843 1.00 37.88 N ATOM 1337 CA ASN A 144 15.147 24.191 14.835 1.00 38.76 C ATOM 1338 C ASN A 144 16.207 23.275 15.544 1.00 34.99 C ATOM 1339 O ASN A 144 16.524 23.496 16.715 1.00 36.85 O ATOM 1340 CB ASN A 144 15.743 25.105 13.757 1.00 34.58 C ATOM 1341 CG ASN A 144 16.773 26.084 14.307 1.00 32.59 C ATOM 1342 OD1 ASN A 144 16.559 27.296 14.299 1.00 31.97 O ATOM 1343 ND2 ASN A 144 17.896 25.573 14.757 1.00 31.32 N ATOM 1344 HD22 ASN A 144 18.039 24.543 14.747 1.00 0.00 H ATOM 1345 HD21 ASN A 144 18.642 26.198 15.123 1.00 0.00 H ATOM 1346 H ASN A 144 14.953 25.387 16.624 1.00 0.00 H ATOM 1347 N PRO A 145 16.701 22.221 14.863 1.00 35.96 N ATOM 1348 CA PRO A 145 17.547 21.269 15.621 1.00 36.93 C ATOM 1349 C PRO A 145 18.814 21.881 16.243 1.00 37.05 C ATOM 1350 O PRO A 145 19.325 21.330 17.219 1.00 37.98 O ATOM 1351 CB PRO A 145 17.891 20.159 14.593 1.00 37.24 C ATOM 1352 CG PRO A 145 16.851 20.275 13.529 1.00 35.23 C ATOM 1353 CD PRO A 145 16.423 21.739 13.493 1.00 35.99 C ATOM 1354 N THR A 146 19.278 23.019 15.718 1.00 39.69 N ATOM 1355 CA THR A 146 20.506 23.673 16.211 1.00 41.94 C ATOM 1356 C THR A 146 20.316 24.589 17.418 1.00 40.72 C ATOM 1357 O THR A 146 21.190 24.674 18.286 1.00 41.99 O ATOM 1358 CB THR A 146 21.281 24.400 15.077 1.00 37.86 C ATOM 1359 OG1 THR A 146 21.875 23.419 14.221 1.00 40.77 O ATOM 1360 CG2 THR A 146 22.413 25.324 15.629 1.00 34.05 C ATOM 1361 HG1 THR A 146 22.371 23.873 13.495 1.00 0.00 H ATOM 1362 H THR A 146 18.755 23.459 14.934 1.00 0.00 H ATOM 1363 N MET A 147 19.184 25.276 17.491 1.00 43.59 N ATOM 1364 CA MET A 147 18.926 26.153 18.656 1.00 36.59 C ATOM 1365 C MET A 147 18.111 25.454 19.740 1.00 38.67 C ATOM 1366 O MET A 147 18.159 25.850 20.909 1.00 42.35 O ATOM 1367 CB MET A 147 18.260 27.492 18.231 1.00 34.48 C ATOM 1368 CG MET A 147 19.122 28.505 17.496 1.00 30.93 C ATOM 1369 SD MET A 147 20.811 28.998 17.988 1.00 34.83 S ATOM 1370 CE MET A 147 20.521 30.293 19.170 1.00 25.71 C ATOM 1371 H MET A 147 18.478 25.199 16.731 1.00 0.00 H ATOM 1372 N ASN A 148 17.375 24.407 19.371 1.00 40.16 N ATOM 1373 CA ASN A 148 16.755 23.526 20.366 1.00 37.39 C ATOM 1374 C ASN A 148 17.693 22.906 21.393 1.00 41.32 C ATOM 1375 O ASN A 148 17.241 22.475 22.449 1.00 41.91 O ATOM 1376 CB ASN A 148 16.005 22.411 19.661 1.00 37.93 C ATOM 1377 CG ASN A 148 14.643 22.850 19.218 1.00 38.20 C ATOM 1378 OD1 ASN A 148 14.214 23.973 19.526 1.00 33.79 O ATOM 1379 ND2 ASN A 148 13.938 21.967 18.507 1.00 34.40 N ATOM 1380 HD22 ASN A 148 14.347 21.039 18.277 1.00 0.00 H ATOM 1381 HD21 ASN A 148 12.979 22.207 18.183 1.00 0.00 H ATOM 1382 H ASN A 148 17.238 24.211 18.359 1.00 0.00 H ATOM 1383 N LEU A 149 18.983 22.829 21.033 1.00 39.32 N ATOM 1384 CA LEU A 149 20.071 22.409 21.920 1.00 31.40 C ATOM 1385 C LEU A 149 20.404 23.515 22.902 1.00 32.20 C ATOM 1386 O LEU A 149 20.904 23.215 23.968 1.00 29.64 O ATOM 1387 CB LEU A 149 21.361 22.084 21.143 1.00 26.37 C ATOM 1388 CG LEU A 149 21.453 21.146 19.926 1.00 30.44 C ATOM 1389 CD1 LEU A 149 22.884 21.031 19.380 1.00 29.52 C ATOM 1390 CD2 LEU A 149 20.899 19.782 20.268 1.00 29.49 C ATOM 1391 H LEU A 149 19.228 23.086 20.055 1.00 0.00 H ATOM 1392 N LEU A 150 20.179 24.784 22.506 1.00 33.91 N ATOM 1393 CA LEU A 150 20.478 25.962 23.353 1.00 35.04 C ATOM 1394 C LEU A 150 19.264 26.483 24.105 1.00 37.79 C ATOM 1395 O LEU A 150 18.116 26.258 23.678 1.00 36.96 O ATOM 1396 CB LEU A 150 21.087 27.094 22.521 1.00 30.90 C ATOM 1397 CG LEU A 150 22.437 26.689 21.883 1.00 29.03 C ATOM 1398 CD1 LEU A 150 23.243 27.909 21.421 1.00 25.28 C ATOM 1399 CD2 LEU A 150 23.148 25.922 22.989 1.00 30.62 C ATOM 1400 H LEU A 150 19.776 24.944 21.561 1.00 0.00 H ATOM 1401 N THR A 151 19.540 27.195 25.208 1.00 38.27 N ATOM 1402 CA THR A 151 18.505 27.741 26.105 1.00 36.05 C ATOM 1403 C THR A 151 18.637 29.292 26.263 1.00 34.12 C ATOM 1404 O THR A 151 19.481 29.789 27.018 1.00 37.75 O ATOM 1405 CB THR A 151 18.576 27.054 27.482 1.00 36.89 C ATOM 1406 OG1 THR A 151 18.193 25.671 27.359 1.00 40.37 O ATOM 1407 CG2 THR A 151 17.645 27.732 28.468 1.00 40.21 C ATOM 1408 HG1 THR A 151 18.241 25.236 28.247 1.00 0.00 H ATOM 1409 H THR A 151 20.538 27.371 25.443 1.00 0.00 H ATOM 1410 N GLY A 152 17.832 30.051 25.518 1.00 32.36 N ATOM 1411 CA GLY A 152 17.703 31.500 25.724 1.00 33.73 C ATOM 1412 C GLY A 152 17.236 31.850 27.134 1.00 32.07 C ATOM 1413 O GLY A 152 16.480 31.092 27.773 1.00 30.59 O ATOM 1414 H GLY A 152 17.275 29.601 24.764 1.00 0.00 H ATOM 1415 N VAL A 153 17.707 32.984 27.631 1.00 31.48 N ATOM 1416 CA VAL A 153 17.214 33.525 28.879 1.00 29.62 C ATOM 1417 C VAL A 153 17.155 35.035 28.714 1.00 35.32 C ATOM 1418 O VAL A 153 18.029 35.645 28.061 1.00 35.48 O ATOM 1419 CB VAL A 153 18.058 33.121 30.151 1.00 29.06 C ATOM 1420 CG1 VAL A 153 18.096 31.610 30.321 1.00 24.61 C ATOM 1421 CG2 VAL A 153 19.462 33.668 30.081 1.00 27.82 C ATOM 1422 H VAL A 153 18.448 33.497 27.112 1.00 0.00 H ATOM 1423 N PRO A 154 16.094 35.648 29.273 1.00 35.45 N ATOM 1424 CA PRO A 154 15.898 37.074 29.259 1.00 32.36 C ATOM 1425 C PRO A 154 17.241 37.785 29.417 1.00 31.08 C ATOM 1426 O PRO A 154 17.960 37.518 30.402 1.00 30.51 O ATOM 1427 CB PRO A 154 15.045 37.305 30.516 1.00 31.13 C ATOM 1428 CG PRO A 154 14.538 35.940 30.944 1.00 31.83 C ATOM 1429 CD PRO A 154 14.940 34.952 29.888 1.00 33.17 C ATOM 1430 N ASN A 155 17.559 38.654 28.458 1.00 28.71 N ATOM 1431 CA ASN A 155 18.753 39.503 28.505 1.00 33.67 C ATOM 1432 C ASN A 155 18.894 40.102 29.875 1.00 32.49 C ATOM 1433 O ASN A 155 19.929 39.989 30.499 1.00 30.99 O ATOM 1434 CB ASN A 155 18.641 40.669 27.510 1.00 32.60 C ATOM 1435 CG ASN A 155 19.849 41.628 27.564 1.00 37.52 C ATOM 1436 OD1 ASN A 155 20.931 41.316 27.038 1.00 43.99 O ATOM 1437 ND2 ASN A 155 19.659 42.825 28.159 1.00 32.40 N ATOM 1438 HD22 ASN A 155 18.740 43.052 28.589 1.00 0.00 H ATOM 1439 HD21 ASN A 155 20.432 43.520 28.187 1.00 0.00 H ATOM 1440 H ASN A 155 16.928 38.734 27.635 1.00 0.00 H ATOM 1441 N GLY A 156 17.820 40.738 30.334 1.00 37.39 N ATOM 1442 CA GLY A 156 17.880 41.637 31.477 1.00 38.38 C ATOM 1443 C GLY A 156 18.336 40.905 32.717 1.00 40.95 C ATOM 1444 O GLY A 156 18.758 41.533 33.670 1.00 38.45 O ATOM 1445 H GLY A 156 16.906 40.588 29.860 1.00 0.00 H ATOM 1446 N MET A 157 18.231 39.574 32.687 1.00 43.84 N ATOM 1447 CA MET A 157 18.664 38.700 33.768 1.00 45.06 C ATOM 1448 C MET A 157 20.188 38.397 33.733 1.00 46.65 C ATOM 1449 O MET A 157 20.653 37.642 34.571 1.00 50.07 O ATOM 1450 CB MET A 157 17.875 37.383 33.731 1.00 42.33 C ATOM 1451 CG MET A 157 16.406 37.437 34.184 1.00 46.49 C ATOM 1452 SD MET A 157 15.831 35.706 34.209 1.00 52.41 S ATOM 1453 CE MET A 157 14.038 35.762 34.135 1.00 43.33 C ATOM 1454 H MET A 157 17.815 39.135 31.841 1.00 0.00 H ATOM 1455 N LEU A 158 20.942 38.985 32.785 1.00 42.34 N ATOM 1456 CA LEU A 158 22.366 38.634 32.548 1.00 43.36 C ATOM 1457 C LEU A 158 23.294 38.575 33.788 1.00 44.87 C ATOM 1458 O LEU A 158 24.026 37.581 33.971 1.00 46.02 O ATOM 1459 CB LEU A 158 23.004 39.499 31.418 1.00 37.35 C ATOM 1460 CG LEU A 158 24.439 39.119 30.986 1.00 38.66 C ATOM 1461 CD1 LEU A 158 24.463 38.004 29.938 1.00 32.97 C ATOM 1462 CD2 LEU A 158 25.294 40.309 30.529 1.00 38.02 C ATOM 1463 H LEU A 158 20.507 39.719 32.191 1.00 0.00 H ATOM 1464 N GLN A 159 23.294 39.633 34.615 1.00 51.70 N ATOM 1465 CA GLN A 159 24.253 39.713 35.735 1.00 45.74 C ATOM 1466 C GLN A 159 23.727 38.950 36.944 1.00 48.03 C ATOM 1467 O GLN A 159 24.105 39.259 38.089 1.00 58.31 O ATOM 1468 CB GLN A 159 24.672 41.162 36.155 1.00 47.43 C ATOM 1469 CG GLN A 159 24.287 42.392 35.317 1.00 46.18 C ATOM 1470 CD GLN A 159 25.245 42.742 34.160 1.00 50.13 C ATOM 1471 OE1 GLN A 159 25.267 43.900 33.675 1.00 46.98 O ATOM 1472 NE2 GLN A 159 26.016 41.744 33.680 1.00 54.25 N ATOM 1473 HE22 GLN A 159 25.969 40.798 34.109 1.00 0.00 H ATOM 1474 HE21 GLN A 159 26.657 41.921 32.881 1.00 0.00 H ATOM 1475 H GLN A 159 22.612 40.404 34.465 1.00 0.00 H ATOM 1476 N SER A 160 22.896 37.932 36.701 1.00 45.86 N ATOM 1477 CA SER A 160 22.252 37.180 37.793 1.00 41.08 C ATOM 1478 C SER A 160 22.667 35.734 37.981 1.00 47.55 C ATOM 1479 O SER A 160 22.494 34.896 37.062 1.00 44.40 O ATOM 1480 CB SER A 160 20.728 37.195 37.665 1.00 37.78 C ATOM 1481 OG SER A 160 20.167 36.979 38.951 1.00 33.78 O ATOM 1482 HG SER A 160 19.179 36.986 38.884 1.00 0.00 H ATOM 1483 H SER A 160 22.699 37.663 35.716 1.00 0.00 H ATOM 1484 N PRO A 161 23.164 35.425 39.203 1.00 44.59 N ATOM 1485 CA PRO A 161 23.419 34.104 39.768 1.00 45.96 C ATOM 1486 C PRO A 161 22.444 32.973 39.364 1.00 49.68 C ATOM 1487 O PRO A 161 22.913 31.842 39.186 1.00 51.64 O ATOM 1488 CB PRO A 161 23.345 34.360 41.294 1.00 42.40 C ATOM 1489 CG PRO A 161 23.596 35.839 41.458 1.00 43.02 C ATOM 1490 CD PRO A 161 23.722 36.469 40.089 1.00 45.32 C ATOM 1491 N GLN A 162 21.133 33.242 39.215 1.00 45.23 N ATOM 1492 CA GLN A 162 20.173 32.155 38.869 1.00 47.66 C ATOM 1493 C GLN A 162 20.427 31.559 37.491 1.00 40.65 C ATOM 1494 O GLN A 162 20.103 30.387 37.210 1.00 29.83 O ATOM 1495 CB GLN A 162 18.714 32.636 38.876 1.00 48.72 C ATOM 1496 CG GLN A 162 17.916 32.204 40.083 1.00 51.59 C ATOM 1497 CD GLN A 162 17.933 33.273 41.140 1.00 61.67 C ATOM 1498 OE1 GLN A 162 18.651 34.289 41.014 1.00 67.85 O ATOM 1499 NE2 GLN A 162 17.144 33.068 42.193 1.00 65.03 N ATOM 1500 HE22 GLN A 162 16.566 32.205 42.250 1.00 0.00 H ATOM 1501 HE21 GLN A 162 17.106 33.771 42.959 1.00 0.00 H ATOM 1502 H GLN A 162 20.788 34.215 39.342 1.00 0.00 H ATOM 1503 N VAL A 163 20.976 32.390 36.617 1.00 41.77 N ATOM 1504 CA VAL A 163 20.977 32.002 35.211 1.00 48.11 C ATOM 1505 C VAL A 163 22.171 31.104 34.810 1.00 46.32 C ATOM 1506 O VAL A 163 22.004 30.161 34.027 1.00 51.32 O ATOM 1507 CB VAL A 163 20.667 33.214 34.270 1.00 41.42 C ATOM 1508 CG1 VAL A 163 19.201 33.606 34.394 1.00 45.44 C ATOM 1509 CG2 VAL A 163 21.565 34.413 34.567 1.00 38.97 C ATOM 1510 H VAL A 163 21.394 33.292 36.924 1.00 0.00 H ATOM 1511 N LEU A 164 23.341 31.379 35.406 1.00 49.73 N ATOM 1512 CA LEU A 164 24.648 30.846 34.965 1.00 48.25 C ATOM 1513 C LEU A 164 24.759 29.328 34.852 1.00 48.80 C ATOM 1514 O LEU A 164 25.406 28.832 33.935 1.00 53.58 O ATOM 1515 CB LEU A 164 25.771 31.369 35.853 1.00 48.48 C ATOM 1516 CG LEU A 164 25.569 32.688 36.594 1.00 44.56 C ATOM 1517 CD1 LEU A 164 26.857 33.053 37.352 1.00 45.72 C ATOM 1518 CD2 LEU A 164 25.152 33.823 35.663 1.00 49.14 C ATOM 1519 H LEU A 164 23.328 32.009 36.233 1.00 0.00 H ATOM 1520 N PRO A 165 24.129 28.571 35.766 1.00 41.89 N ATOM 1521 CA PRO A 165 24.114 27.116 35.517 1.00 38.03 C ATOM 1522 C PRO A 165 23.536 26.722 34.130 1.00 42.71 C ATOM 1523 O PRO A 165 23.912 25.664 33.537 1.00 45.44 O ATOM 1524 CB PRO A 165 23.261 26.582 36.671 1.00 36.37 C ATOM 1525 CG PRO A 165 23.577 27.552 37.764 1.00 40.21 C ATOM 1526 CD PRO A 165 23.638 28.901 37.116 1.00 40.53 C ATOM 1527 N THR A 166 22.648 27.566 33.610 1.00 35.32 N ATOM 1528 CA THR A 166 22.085 27.357 32.285 1.00 30.69 C ATOM 1529 C THR A 166 23.013 27.936 31.213 1.00 28.96 C ATOM 1530 O THR A 166 23.161 27.365 30.140 1.00 36.11 O ATOM 1531 CB THR A 166 20.644 27.972 32.217 1.00 33.48 C ATOM 1532 OG1 THR A 166 19.731 27.224 33.063 1.00 28.54 O ATOM 1533 CG2 THR A 166 20.095 27.941 30.784 1.00 29.58 C ATOM 1534 HG1 THR A 166 18.828 27.626 33.008 1.00 0.00 H ATOM 1535 H THR A 166 22.350 28.394 34.164 1.00 0.00 H ATOM 1536 N LEU A 167 23.632 29.070 31.512 1.00 30.76 N ATOM 1537 CA LEU A 167 24.584 29.788 30.625 1.00 29.58 C ATOM 1538 C LEU A 167 25.925 29.044 30.441 1.00 39.02 C ATOM 1539 O LEU A 167 26.510 29.055 29.328 1.00 36.65 O ATOM 1540 CB LEU A 167 24.835 31.233 31.152 1.00 25.85 C ATOM 1541 CG LEU A 167 23.602 32.175 31.215 1.00 24.46 C ATOM 1542 CD1 LEU A 167 23.938 33.545 31.749 1.00 21.20 C ATOM 1543 CD2 LEU A 167 22.933 32.362 29.866 1.00 22.95 C ATOM 1544 H LEU A 167 23.435 29.491 32.442 1.00 0.00 H ATOM 1545 N ARG A 168 26.423 28.418 31.518 1.00 35.15 N ATOM 1546 CA ARG A 168 27.453 27.399 31.359 1.00 39.16 C ATOM 1547 C ARG A 168 26.908 26.242 30.465 1.00 40.02 C ATOM 1548 O ARG A 168 27.551 25.868 29.471 1.00 39.08 O ATOM 1549 CB ARG A 168 27.994 26.912 32.722 1.00 39.49 C ATOM 1550 CG ARG A 168 29.095 25.834 32.670 1.00 34.18 C ATOM 1551 CD ARG A 168 29.580 25.342 34.070 1.00 30.81 C ATOM 1552 NE ARG A 168 30.170 26.453 34.830 1.00 29.91 N ATOM 1553 CZ ARG A 168 31.428 26.902 34.701 1.00 27.05 C ATOM 1554 NH1 ARG A 168 31.854 27.966 35.396 1.00 29.33 N ATOM 1555 NH2 ARG A 168 32.278 26.278 33.906 1.00 31.91 N ATOM 1556 HE ARG A 168 29.562 26.931 35.525 1.00 0.00 H ATOM 1557 HH12 ARG A 168 32.832 28.302 35.285 1.00 0.00 H ATOM 1558 HH11 ARG A 168 31.207 28.456 36.046 1.00 0.00 H ATOM 1559 HH22 ARG A 168 33.252 26.629 33.808 1.00 0.00 H ATOM 1560 HH21 ARG A 168 31.973 25.436 33.377 1.00 0.00 H ATOM 1561 H ARG A 168 26.074 28.660 32.467 1.00 0.00 H ATOM 1562 N ARG A 169 25.713 25.724 30.747 1.00 33.51 N ATOM 1563 CA ARG A 169 25.192 24.543 30.011 1.00 37.35 C ATOM 1564 C ARG A 169 24.966 24.723 28.484 1.00 40.48 C ATOM 1565 O ARG A 169 25.030 23.752 27.709 1.00 40.21 O ATOM 1566 CB ARG A 169 23.924 24.015 30.691 1.00 46.25 C ATOM 1567 CG ARG A 169 23.428 22.637 30.222 1.00 54.15 C ATOM 1568 CD ARG A 169 22.426 21.997 31.206 1.00 65.09 C ATOM 1569 NE ARG A 169 21.358 22.914 31.622 1.00 73.19 N ATOM 1570 CZ ARG A 169 20.274 23.206 30.903 1.00 80.98 C ATOM 1571 NH1 ARG A 169 20.082 22.634 29.710 1.00 81.73 N ATOM 1572 NH2 ARG A 169 19.373 24.067 31.389 1.00 82.21 N ATOM 1573 HE ARG A 169 21.455 23.372 32.551 1.00 0.00 H ATOM 1574 HH12 ARG A 169 19.235 22.865 29.153 1.00 0.00 H ATOM 1575 HH11 ARG A 169 20.780 21.958 29.339 1.00 0.00 H ATOM 1576 HH22 ARG A 169 18.525 24.300 30.834 1.00 0.00 H ATOM 1577 HH21 ARG A 169 19.521 24.503 32.321 1.00 0.00 H ATOM 1578 H ARG A 169 25.134 26.154 31.496 1.00 0.00 H ATOM 1579 N ASN A 170 24.673 25.961 28.076 1.00 41.37 N ATOM 1580 CA ASN A 170 24.704 26.378 26.675 1.00 42.51 C ATOM 1581 C ASN A 170 26.133 26.271 26.148 1.00 47.99 C ATOM 1582 O ASN A 170 26.363 25.560 25.160 1.00 53.31 O ATOM 1583 CB ASN A 170 24.220 27.821 26.528 1.00 33.85 C ATOM 1584 CG ASN A 170 22.758 27.963 26.814 1.00 28.57 C ATOM 1585 OD1 ASN A 170 21.975 27.027 26.611 1.00 25.13 O ATOM 1586 ND2 ASN A 170 22.373 29.145 27.242 1.00 23.81 N ATOM 1587 HD22 ASN A 170 23.075 29.896 27.396 1.00 0.00 H ATOM 1588 HD21 ASN A 170 21.366 29.329 27.427 1.00 0.00 H ATOM 1589 H ASN A 170 24.409 26.666 28.793 1.00 0.00 H ATOM 1590 N GLN A 171 27.081 26.922 26.843 1.00 44.98 N ATOM 1591 CA GLN A 171 28.514 26.834 26.510 1.00 43.33 C ATOM 1592 C GLN A 171 29.170 25.442 26.532 1.00 44.10 C ATOM 1593 O GLN A 171 30.304 25.319 26.041 1.00 51.30 O ATOM 1594 CB GLN A 171 29.359 27.815 27.328 1.00 36.02 C ATOM 1595 CG GLN A 171 30.660 28.185 26.615 1.00 33.28 C ATOM 1596 CD GLN A 171 31.240 29.507 27.057 1.00 32.38 C ATOM 1597 OE1 GLN A 171 32.421 29.799 26.810 1.00 31.83 O ATOM 1598 NE2 GLN A 171 30.417 30.344 27.660 1.00 31.07 N ATOM 1599 HE22 GLN A 171 29.434 30.061 27.849 1.00 0.00 H ATOM 1600 HE21 GLN A 171 30.751 31.286 27.946 1.00 0.00 H ATOM 1601 H GLN A 171 26.792 27.512 27.649 1.00 0.00 H ATOM 1602 N GLU A 172 28.512 24.402 27.072 1.00 41.48 N ATOM 1603 CA GLU A 172 29.116 23.047 26.989 1.00 36.59 C ATOM 1604 C GLU A 172 28.635 22.469 25.685 1.00 37.73 C ATOM 1605 O GLU A 172 29.433 22.028 24.839 1.00 28.78 O ATOM 1606 CB GLU A 172 28.875 22.174 28.246 1.00 40.35 C ATOM 1607 CG GLU A 172 29.171 23.008 29.521 1.00 39.21 C ATOM 1608 CD GLU A 172 29.403 22.288 30.841 1.00 41.54 C ATOM 1609 OE1 GLU A 172 30.162 22.893 31.662 1.00 32.64 O ATOM 1610 OE2 GLU A 172 28.829 21.184 31.096 1.00 39.83 O ATOM 1611 H GLU A 172 27.594 24.543 27.541 1.00 0.00 H ATOM 1612 N LYS A 173 27.322 22.584 25.489 1.00 35.20 N ATOM 1613 CA LYS A 173 26.669 22.080 24.313 1.00 34.34 C ATOM 1614 C LYS A 173 26.997 22.866 23.070 1.00 33.69 C ATOM 1615 O LYS A 173 26.649 22.441 21.984 1.00 33.16 O ATOM 1616 CB LYS A 173 25.167 22.105 24.495 1.00 33.22 C ATOM 1617 CG LYS A 173 24.627 20.922 25.255 1.00 29.43 C ATOM 1618 CD LYS A 173 23.134 21.146 25.394 1.00 32.03 C ATOM 1619 CE LYS A 173 22.344 20.248 24.495 1.00 30.16 C ATOM 1620 NZ LYS A 173 20.901 20.578 24.718 1.00 32.33 N ATOM 1621 HZ1 LYS A 173 20.658 20.410 25.715 1.00 0.00 H ATOM 1622 HZ2 LYS A 173 20.735 21.577 24.483 1.00 0.00 H ATOM 1623 HZ3 LYS A 173 20.311 19.975 24.110 1.00 0.00 H ATOM 1624 H LYS A 173 26.748 23.057 26.216 1.00 0.00 H ATOM 1625 N LEU A 174 27.632 24.019 23.259 1.00 30.33 N ATOM 1626 CA LEU A 174 28.102 24.842 22.159 1.00 27.91 C ATOM 1627 C LEU A 174 29.437 24.283 21.732 1.00 26.92 C ATOM 1628 O LEU A 174 29.825 24.355 20.584 1.00 23.51 O ATOM 1629 CB LEU A 174 28.324 26.263 22.649 1.00 22.80 C ATOM 1630 CG LEU A 174 29.258 27.163 21.853 1.00 22.38 C ATOM 1631 CD1 LEU A 174 28.891 27.286 20.382 1.00 20.80 C ATOM 1632 CD2 LEU A 174 29.480 28.528 22.513 1.00 22.83 C ATOM 1633 H LEU A 174 27.798 24.344 24.233 1.00 0.00 H ATOM 1634 N TYR A 175 30.169 23.751 22.694 1.00 28.99 N ATOM 1635 CA TYR A 175 31.394 23.126 22.334 1.00 31.50 C ATOM 1636 C TYR A 175 31.038 21.770 21.728 1.00 33.44 C ATOM 1637 O TYR A 175 31.512 21.478 20.639 1.00 43.92 O ATOM 1638 CB TYR A 175 32.311 23.042 23.523 1.00 34.04 C ATOM 1639 CG TYR A 175 32.905 24.378 23.925 1.00 33.49 C ATOM 1640 CD1 TYR A 175 33.150 25.404 22.987 1.00 34.60 C ATOM 1641 CD2 TYR A 175 33.231 24.604 25.258 1.00 35.22 C ATOM 1642 CE1 TYR A 175 33.733 26.630 23.391 1.00 33.84 C ATOM 1643 CE2 TYR A 175 33.796 25.789 25.666 1.00 31.56 C ATOM 1644 CZ TYR A 175 34.046 26.789 24.767 1.00 30.38 C ATOM 1645 OH TYR A 175 34.581 27.910 25.324 1.00 27.71 O ATOM 1646 HH TYR A 175 34.734 28.587 24.618 1.00 0.00 H ATOM 1647 H TYR A 175 29.858 23.788 23.686 1.00 0.00 H ATOM 1648 N ARG A 176 30.137 21.000 22.372 1.00 34.54 N ATOM 1649 CA ARG A 176 29.733 19.700 21.826 1.00 33.99 C ATOM 1650 C ARG A 176 29.351 20.028 20.424 1.00 32.77 C ATOM 1651 O ARG A 176 29.810 19.370 19.487 1.00 27.79 O ATOM 1652 CB ARG A 176 28.573 19.004 22.582 1.00 35.72 C ATOM 1653 CG ARG A 176 28.876 18.599 24.027 1.00 42.31 C ATOM 1654 CD ARG A 176 28.312 17.232 24.458 1.00 52.85 C ATOM 1655 NE ARG A 176 28.744 16.130 23.581 1.00 57.20 N ATOM 1656 CZ ARG A 176 28.925 14.851 23.958 1.00 60.54 C ATOM 1657 NH1 ARG A 176 28.746 14.482 25.222 1.00 58.20 N ATOM 1658 NH2 ARG A 176 29.300 13.925 23.063 1.00 56.06 N ATOM 1659 HE ARG A 176 28.925 16.361 22.583 1.00 0.00 H ATOM 1660 HH12 ARG A 176 28.889 13.490 25.499 1.00 0.00 H ATOM 1661 HH11 ARG A 176 28.463 15.185 25.934 1.00 0.00 H ATOM 1662 HH22 ARG A 176 29.438 12.939 23.362 1.00 0.00 H ATOM 1663 HH21 ARG A 176 29.453 14.193 22.070 1.00 0.00 H ATOM 1664 H ARG A 176 29.724 21.332 23.267 1.00 0.00 H ATOM 1665 N PHE A 177 28.601 21.128 20.270 1.00 31.66 N ATOM 1666 CA PHE A 177 28.143 21.467 18.943 1.00 32.25 C ATOM 1667 C PHE A 177 29.229 21.526 17.880 1.00 28.87 C ATOM 1668 O PHE A 177 29.176 20.856 16.841 1.00 32.82 O ATOM 1669 CB PHE A 177 27.285 22.737 18.875 1.00 29.50 C ATOM 1670 CG PHE A 177 26.701 22.928 17.506 1.00 25.86 C ATOM 1671 CD1 PHE A 177 25.745 22.026 17.037 1.00 28.73 C ATOM 1672 CD2 PHE A 177 27.147 23.931 16.669 1.00 27.35 C ATOM 1673 CE1 PHE A 177 25.215 22.116 15.759 1.00 26.61 C ATOM 1674 CE2 PHE A 177 26.617 24.046 15.366 1.00 27.09 C ATOM 1675 CZ PHE A 177 25.654 23.121 14.918 1.00 25.96 C ATOM 1676 H PHE A 177 28.355 21.723 21.087 1.00 0.00 H ATOM 1677 N LEU A 178 30.190 22.383 18.125 1.00 27.85 N ATOM 1678 CA LEU A 178 31.213 22.653 17.116 1.00 30.37 C ATOM 1679 C LEU A 178 32.115 21.454 16.832 1.00 37.43 C ATOM 1680 O LEU A 178 32.480 21.209 15.659 1.00 34.97 O ATOM 1681 CB LEU A 178 32.087 23.815 17.542 1.00 27.53 C ATOM 1682 CG LEU A 178 31.494 25.191 17.632 1.00 23.70 C ATOM 1683 CD1 LEU A 178 32.662 26.161 17.473 1.00 19.45 C ATOM 1684 CD2 LEU A 178 30.540 25.353 16.499 1.00 20.55 C ATOM 1685 H LEU A 178 30.225 22.873 19.042 1.00 0.00 H ATOM 1686 N ALA A 179 32.474 20.757 17.929 1.00 42.17 N ATOM 1687 CA ALA A 179 33.251 19.511 17.936 1.00 44.38 C ATOM 1688 C ALA A 179 32.613 18.533 16.967 1.00 42.88 C ATOM 1689 O ALA A 179 33.271 18.069 16.016 1.00 42.89 O ATOM 1690 CB ALA A 179 33.310 18.920 19.359 1.00 41.52 C ATOM 1691 H ALA A 179 32.174 21.135 18.850 1.00 0.00 H ATOM 1692 N HIS A 180 31.313 18.284 17.156 1.00 46.60 N ATOM 1693 CA HIS A 180 30.545 17.443 16.215 1.00 42.88 C ATOM 1694 C HIS A 180 30.642 17.821 14.747 1.00 41.15 C ATOM 1695 O HIS A 180 30.690 16.913 13.893 1.00 40.10 O ATOM 1696 CB HIS A 180 29.076 17.350 16.604 1.00 48.36 C ATOM 1697 CG HIS A 180 28.560 15.948 16.638 1.00 56.52 C ATOM 1698 ND1 HIS A 180 27.346 15.587 16.089 1.00 63.06 N ATOM 1699 CD2 HIS A 180 29.099 14.810 17.149 1.00 60.92 C ATOM 1700 CE1 HIS A 180 27.155 14.289 16.268 1.00 66.79 C ATOM 1701 NE2 HIS A 180 28.203 13.794 16.907 1.00 63.67 N ATOM 1702 H HIS A 180 30.832 18.691 17.983 1.00 0.00 H ATOM 1703 N HIS A 181 30.639 19.122 14.434 1.00 37.15 N ATOM 1704 CA HIS A 181 30.513 19.565 13.036 1.00 34.65 C ATOM 1705 C HIS A 181 31.748 20.211 12.403 1.00 34.86 C ATOM 1706 O HIS A 181 31.837 20.306 11.159 1.00 34.57 O ATOM 1707 CB HIS A 181 29.288 20.481 12.829 1.00 35.00 C ATOM 1708 CG HIS A 181 27.967 19.765 12.872 1.00 29.52 C ATOM 1709 ND1 HIS A 181 27.095 19.867 13.940 1.00 28.74 N ATOM 1710 CD2 HIS A 181 27.383 18.923 11.991 1.00 26.80 C ATOM 1711 CE1 HIS A 181 26.034 19.109 13.722 1.00 29.26 C ATOM 1712 NE2 HIS A 181 26.174 18.543 12.529 1.00 29.89 N ATOM 1713 H HIS A 181 30.727 19.831 15.190 1.00 0.00 H ATOM 1714 N SER A 182 32.685 20.692 13.209 1.00 31.67 N ATOM 1715 CA SER A 182 33.808 21.398 12.610 1.00 32.90 C ATOM 1716 C SER A 182 35.198 20.728 12.743 1.00 34.27 C ATOM 1717 O SER A 182 35.719 20.615 13.848 1.00 40.17 O ATOM 1718 CB SER A 182 33.871 22.848 13.073 1.00 29.87 C ATOM 1719 OG SER A 182 35.216 23.294 12.975 1.00 32.20 O ATOM 1720 HG SER A 182 35.517 23.226 12.035 1.00 0.00 H ATOM 1721 H SER A 182 32.619 20.568 14.240 1.00 0.00 H ATOM 1722 N PRO A 183 35.820 20.331 11.599 1.00 35.89 N ATOM 1723 CA PRO A 183 37.199 19.814 11.648 1.00 36.10 C ATOM 1724 C PRO A 183 38.202 20.782 12.260 1.00 34.45 C ATOM 1725 O PRO A 183 39.023 20.388 13.043 1.00 39.08 O ATOM 1726 CB PRO A 183 37.516 19.539 10.179 1.00 37.78 C ATOM 1727 CG PRO A 183 36.181 19.240 9.544 1.00 35.56 C ATOM 1728 CD PRO A 183 35.144 20.002 10.322 1.00 34.33 C ATOM 1729 N TYR A 184 38.105 22.057 11.925 1.00 37.50 N ATOM 1730 CA TYR A 184 38.920 23.076 12.550 1.00 30.41 C ATOM 1731 C TYR A 184 38.652 23.224 14.043 1.00 37.97 C ATOM 1732 O TYR A 184 39.589 23.533 14.814 1.00 37.21 O ATOM 1733 CB TYR A 184 38.632 24.397 11.840 1.00 33.04 C ATOM 1734 CG TYR A 184 39.513 25.554 12.184 1.00 28.26 C ATOM 1735 CD1 TYR A 184 39.352 26.228 13.384 1.00 26.81 C ATOM 1736 CD2 TYR A 184 40.472 26.004 11.301 1.00 29.14 C ATOM 1737 CE1 TYR A 184 40.171 27.279 13.724 1.00 24.99 C ATOM 1738 CE2 TYR A 184 41.278 27.088 11.620 1.00 27.35 C ATOM 1739 CZ TYR A 184 41.110 27.721 12.843 1.00 28.22 C ATOM 1740 OH TYR A 184 41.881 28.821 13.216 1.00 28.41 O ATOM 1741 HH TYR A 184 41.608 29.123 14.118 1.00 0.00 H ATOM 1742 H TYR A 184 37.423 22.336 11.191 1.00 0.00 H ATOM 1743 N PHE A 185 37.389 23.068 14.472 1.00 32.72 N ATOM 1744 CA PHE A 185 37.152 23.101 15.906 1.00 32.09 C ATOM 1745 C PHE A 185 38.001 22.045 16.628 1.00 32.74 C ATOM 1746 O PHE A 185 38.869 22.402 17.425 1.00 35.43 O ATOM 1747 CB PHE A 185 35.681 22.968 16.313 1.00 28.78 C ATOM 1748 CG PHE A 185 35.482 23.129 17.786 1.00 27.56 C ATOM 1749 CD1 PHE A 185 35.988 24.245 18.446 1.00 29.40 C ATOM 1750 CD2 PHE A 185 34.870 22.145 18.534 1.00 29.12 C ATOM 1751 CE1 PHE A 185 35.834 24.390 19.809 1.00 30.56 C ATOM 1752 CE2 PHE A 185 34.711 22.276 19.895 1.00 25.78 C ATOM 1753 CZ PHE A 185 35.203 23.402 20.540 1.00 29.25 C ATOM 1754 H PHE A 185 36.607 22.928 13.801 1.00 0.00 H ATOM 1755 N ARG A 186 37.775 20.763 16.318 1.00 37.11 N ATOM 1756 CA ARG A 186 38.513 19.659 16.951 1.00 35.95 C ATOM 1757 C ARG A 186 40.016 19.896 16.914 1.00 41.58 C ATOM 1758 O ARG A 186 40.704 19.803 17.946 1.00 48.96 O ATOM 1759 CB ARG A 186 38.135 18.326 16.308 1.00 37.14 C ATOM 1760 CG ARG A 186 36.640 18.061 16.485 1.00 39.96 C ATOM 1761 CD ARG A 186 36.073 16.962 15.621 1.00 40.54 C ATOM 1762 NE ARG A 186 36.485 17.078 14.227 1.00 44.90 N ATOM 1763 CZ ARG A 186 35.671 17.137 13.175 1.00 48.61 C ATOM 1764 NH1 ARG A 186 34.345 17.137 13.316 1.00 53.63 N ATOM 1765 NH2 ARG A 186 36.192 17.214 11.963 1.00 45.86 N ATOM 1766 HE ARG A 186 37.507 17.118 14.037 1.00 0.00 H ATOM 1767 HH12 ARG A 186 33.733 17.184 12.477 1.00 0.00 H ATOM 1768 HH11 ARG A 186 33.923 17.090 14.265 1.00 0.00 H ATOM 1769 HH22 ARG A 186 35.569 17.261 11.131 1.00 0.00 H ATOM 1770 HH21 ARG A 186 37.225 17.228 11.841 1.00 0.00 H ATOM 1771 H ARG A 186 37.052 20.539 15.604 1.00 0.00 H ATOM 1772 N SER A 187 40.516 20.239 15.736 1.00 42.97 N ATOM 1773 CA SER A 187 41.922 20.582 15.559 1.00 44.53 C ATOM 1774 C SER A 187 42.456 21.567 16.560 1.00 43.50 C ATOM 1775 O SER A 187 43.585 21.385 16.997 1.00 36.41 O ATOM 1776 CB SER A 187 42.188 21.112 14.156 1.00 43.69 C ATOM 1777 OG SER A 187 41.895 20.104 13.200 1.00 49.13 O ATOM 1778 HG SER A 187 40.943 19.844 13.278 1.00 0.00 H ATOM 1779 H SER A 187 39.885 20.264 14.910 1.00 0.00 H ATOM 1780 N HIS A 188 41.662 22.597 16.917 1.00 44.60 N ATOM 1781 CA HIS A 188 42.154 23.708 17.778 1.00 40.04 C ATOM 1782 C HIS A 188 41.445 23.777 19.124 1.00 39.63 C ATOM 1783 O HIS A 188 41.668 24.691 19.941 1.00 39.12 O ATOM 1784 CB HIS A 188 42.023 25.047 17.062 1.00 43.14 C ATOM 1785 CG HIS A 188 42.859 25.154 15.822 1.00 40.93 C ATOM 1786 ND1 HIS A 188 42.645 24.363 14.711 1.00 40.01 N ATOM 1787 CD2 HIS A 188 43.905 25.961 15.517 1.00 39.76 C ATOM 1788 CE1 HIS A 188 43.517 24.677 13.768 1.00 36.48 C ATOM 1789 NE2 HIS A 188 44.289 25.651 14.228 1.00 44.02 N ATOM 1790 H HIS A 188 40.678 22.616 16.581 1.00 0.00 H ATOM 1791 N ARG A 189 40.642 22.752 19.346 1.00 35.61 N ATOM 1792 CA ARG A 189 39.646 22.697 20.384 1.00 38.86 C ATOM 1793 C ARG A 189 40.078 23.146 21.748 1.00 41.48 C ATOM 1794 O ARG A 189 39.362 23.922 22.396 1.00 50.07 O ATOM 1795 CB ARG A 189 39.128 21.295 20.501 1.00 35.00 C ATOM 1796 CG ARG A 189 38.034 21.195 21.536 1.00 33.97 C ATOM 1797 CD ARG A 189 37.241 19.980 21.178 1.00 32.09 C ATOM 1798 NE ARG A 189 36.153 19.792 22.103 1.00 35.66 N ATOM 1799 CZ ARG A 189 35.531 18.642 22.284 1.00 33.44 C ATOM 1800 NH1 ARG A 189 35.934 17.575 21.610 1.00 27.84 N ATOM 1801 NH2 ARG A 189 34.511 18.565 23.145 1.00 41.54 N ATOM 1802 HE ARG A 189 35.839 20.611 22.661 1.00 0.00 H ATOM 1803 HH12 ARG A 189 35.452 16.663 21.744 1.00 0.00 H ATOM 1804 HH11 ARG A 189 36.732 17.649 20.947 1.00 0.00 H ATOM 1805 HH22 ARG A 189 34.019 17.660 23.289 1.00 0.00 H ATOM 1806 HH21 ARG A 189 34.209 19.410 23.671 1.00 0.00 H ATOM 1807 H ARG A 189 40.736 21.923 18.725 1.00 0.00 H ATOM 1808 N ALA A 190 41.233 22.647 22.175 1.00 42.22 N ATOM 1809 CA ALA A 190 41.792 22.951 23.481 1.00 41.54 C ATOM 1810 C ALA A 190 42.105 24.435 23.702 1.00 37.64 C ATOM 1811 O ALA A 190 41.763 24.986 24.765 1.00 32.71 O ATOM 1812 CB ALA A 190 43.035 22.096 23.739 1.00 43.91 C ATOM 1813 H ALA A 190 41.761 22.010 21.545 1.00 0.00 H ATOM 1814 N ALA A 191 42.750 25.062 22.710 1.00 33.30 N ATOM 1815 CA ALA A 191 43.197 26.493 22.804 1.00 29.79 C ATOM 1816 C ALA A 191 42.010 27.459 22.570 1.00 29.64 C ATOM 1817 O ALA A 191 42.031 28.631 22.985 1.00 25.04 O ATOM 1818 CB ALA A 191 44.291 26.761 21.763 1.00 28.77 C ATOM 1819 H ALA A 191 42.950 24.535 21.836 1.00 0.00 H ATOM 1820 N ILE A 192 41.016 26.935 21.844 1.00 29.59 N ATOM 1821 CA ILE A 192 39.748 27.600 21.547 1.00 36.99 C ATOM 1822 C ILE A 192 38.851 27.662 22.801 1.00 36.74 C ATOM 1823 O ILE A 192 38.421 28.747 23.206 1.00 39.46 O ATOM 1824 CB ILE A 192 38.994 26.864 20.423 1.00 33.65 C ATOM 1825 CG1 ILE A 192 39.522 27.328 19.050 1.00 38.70 C ATOM 1826 CG2 ILE A 192 37.483 27.071 20.571 1.00 41.26 C ATOM 1827 CD1 ILE A 192 38.765 26.786 17.844 1.00 36.52 C ATOM 1828 H ILE A 192 41.156 25.979 21.460 1.00 0.00 H ATOM 1829 N GLU A 193 38.566 26.493 23.387 1.00 36.45 N ATOM 1830 CA GLU A 193 37.834 26.403 24.662 1.00 32.08 C ATOM 1831 C GLU A 193 38.545 27.098 25.787 1.00 32.21 C ATOM 1832 O GLU A 193 37.908 27.524 26.743 1.00 35.56 O ATOM 1833 CB GLU A 193 37.639 24.972 25.076 1.00 31.14 C ATOM 1834 CG GLU A 193 36.700 24.221 24.181 1.00 26.14 C ATOM 1835 CD GLU A 193 36.205 22.942 24.812 1.00 29.05 C ATOM 1836 OE1 GLU A 193 36.390 22.780 26.052 1.00 35.94 O ATOM 1837 OE2 GLU A 193 35.586 22.090 24.102 1.00 33.42 O ATOM 1838 H GLU A 193 38.873 25.614 22.924 1.00 0.00 H ATOM 1839 N HIS A 194 39.871 27.189 25.715 1.00 34.45 N ATOM 1840 CA HIS A 194 40.593 28.009 26.694 1.00 32.09 C ATOM 1841 C HIS A 194 40.493 29.514 26.439 1.00 32.51 C ATOM 1842 O HIS A 194 40.387 30.267 27.407 1.00 38.99 O ATOM 1843 CB HIS A 194 42.058 27.533 26.908 1.00 34.50 C ATOM 1844 CG HIS A 194 42.973 28.584 27.473 1.00 34.11 C ATOM 1845 ND1 HIS A 194 43.604 29.530 26.682 1.00 36.45 N ATOM 1846 CD2 HIS A 194 43.348 28.855 28.750 1.00 35.68 C ATOM 1847 CE1 HIS A 194 44.331 30.332 27.441 1.00 33.00 C ATOM 1848 NE2 HIS A 194 44.190 29.946 28.701 1.00 39.54 N ATOM 1849 H HIS A 194 40.391 26.683 24.970 1.00 0.00 H ATOM 1850 N ALA A 195 40.517 29.973 25.181 1.00 29.35 N ATOM 1851 CA ALA A 195 40.559 31.415 24.931 1.00 26.14 C ATOM 1852 C ALA A 195 39.143 32.072 24.892 1.00 26.54 C ATOM 1853 O ALA A 195 39.002 33.330 24.924 1.00 17.89 O ATOM 1854 CB ALA A 195 41.316 31.704 23.635 1.00 27.80 C ATOM 1855 H ALA A 195 40.506 29.306 24.383 1.00 0.00 H ATOM 1856 N THR A 196 38.131 31.213 24.790 1.00 24.41 N ATOM 1857 CA THR A 196 36.752 31.633 24.768 1.00 29.82 C ATOM 1858 C THR A 196 35.993 31.112 26.012 1.00 34.68 C ATOM 1859 O THR A 196 34.751 31.103 25.996 1.00 36.13 O ATOM 1860 CB THR A 196 35.997 31.103 23.527 1.00 28.04 C ATOM 1861 OG1 THR A 196 35.787 29.685 23.689 1.00 31.59 O ATOM 1862 CG2 THR A 196 36.716 31.400 22.162 1.00 23.67 C ATOM 1863 HG1 THR A 196 35.251 29.523 24.506 1.00 0.00 H ATOM 1864 H THR A 196 38.344 30.197 24.723 1.00 0.00 H ATOM 1865 N ALA A 197 36.713 30.717 27.080 1.00 35.95 N ATOM 1866 CA ALA A 197 36.074 30.109 28.295 1.00 40.62 C ATOM 1867 C ALA A 197 34.897 30.888 28.915 1.00 36.04 C ATOM 1868 O ALA A 197 34.773 32.107 28.748 1.00 40.63 O ATOM 1869 CB ALA A 197 37.120 29.801 29.384 1.00 36.11 C ATOM 1870 H ALA A 197 37.746 30.837 27.062 1.00 0.00 H ATOM 1871 N PHE A 198 34.049 30.186 29.650 1.00 34.93 N ATOM 1872 CA PHE A 198 32.978 30.846 30.401 1.00 33.56 C ATOM 1873 C PHE A 198 33.396 32.096 31.132 1.00 36.68 C ATOM 1874 O PHE A 198 32.672 33.124 31.091 1.00 35.33 O ATOM 1875 CB PHE A 198 32.340 29.908 31.399 1.00 36.99 C ATOM 1876 CG PHE A 198 31.010 30.393 31.928 1.00 35.30 C ATOM 1877 CD1 PHE A 198 29.843 30.200 31.196 1.00 37.11 C ATOM 1878 CD2 PHE A 198 30.928 31.010 33.155 1.00 37.04 C ATOM 1879 CE1 PHE A 198 28.618 30.644 31.666 1.00 38.57 C ATOM 1880 CE2 PHE A 198 29.712 31.451 33.649 1.00 35.88 C ATOM 1881 CZ PHE A 198 28.550 31.259 32.902 1.00 36.63 C ATOM 1882 H PHE A 198 34.144 29.151 29.695 1.00 0.00 H ATOM 1883 N ASP A 199 34.565 32.024 31.785 1.00 37.06 N ATOM 1884 CA ASP A 199 35.033 33.125 32.637 1.00 36.36 C ATOM 1885 C ASP A 199 36.272 33.830 32.149 1.00 32.82 C ATOM 1886 O ASP A 199 37.042 34.345 32.955 1.00 34.34 O ATOM 1887 CB ASP A 199 35.243 32.671 34.082 1.00 41.76 C ATOM 1888 CG ASP A 199 35.879 31.293 34.176 1.00 45.97 C ATOM 1889 OD1 ASP A 199 36.218 30.696 33.101 1.00 46.94 O ATOM 1890 OD2 ASP A 199 36.013 30.809 35.330 1.00 41.60 O ATOM 1891 H ASP A 199 35.152 31.171 31.686 1.00 0.00 H ATOM 1892 N LYS A 200 36.456 33.910 30.842 1.00 27.40 N ATOM 1893 CA LYS A 200 37.668 34.507 30.382 1.00 24.21 C ATOM 1894 C LYS A 200 37.815 35.925 30.820 1.00 28.50 C ATOM 1895 O LYS A 200 38.924 36.355 31.179 1.00 32.93 O ATOM 1896 CB LYS A 200 37.843 34.435 28.875 1.00 22.27 C ATOM 1897 CG LYS A 200 39.207 35.025 28.518 1.00 24.15 C ATOM 1898 CD LYS A 200 40.350 34.178 29.077 1.00 22.61 C ATOM 1899 CE LYS A 200 41.550 34.288 28.199 1.00 25.57 C ATOM 1900 NZ LYS A 200 42.295 32.994 28.294 1.00 32.11 N ATOM 1901 HZ1 LYS A 200 42.579 32.831 29.281 1.00 0.00 H ATOM 1902 HZ2 LYS A 200 41.681 32.218 27.976 1.00 0.00 H ATOM 1903 HZ3 LYS A 200 43.141 33.037 27.691 1.00 0.00 H ATOM 1904 H LYS A 200 35.744 33.551 30.174 1.00 0.00 H ATOM 1905 N MET A 201 36.743 36.702 30.748 1.00 28.71 N ATOM 1906 CA MET A 201 36.908 38.132 31.056 1.00 31.21 C ATOM 1907 C MET A 201 37.381 38.448 32.497 1.00 33.13 C ATOM 1908 O MET A 201 37.819 39.570 32.794 1.00 35.98 O ATOM 1909 CB MET A 201 35.674 38.953 30.645 1.00 32.35 C ATOM 1910 CG MET A 201 35.127 38.564 29.279 1.00 29.08 C ATOM 1911 SD MET A 201 36.255 38.669 27.861 1.00 41.20 S ATOM 1912 CE MET A 201 36.930 40.326 28.118 1.00 22.51 C ATOM 1913 H MET A 201 35.815 36.314 30.482 1.00 0.00 H ATOM 1914 N LYS A 202 37.358 37.448 33.371 1.00 36.19 N ATOM 1915 CA LYS A 202 38.052 37.577 34.703 1.00 33.25 C ATOM 1916 C LYS A 202 39.214 36.559 34.835 1.00 34.12 C ATOM 1917 O LYS A 202 39.763 36.339 35.934 1.00 29.16 O ATOM 1918 CB LYS A 202 37.061 37.413 35.844 1.00 32.65 C ATOM 1919 CG LYS A 202 35.707 38.116 35.652 1.00 33.86 C ATOM 1920 CD LYS A 202 34.594 37.147 36.057 1.00 32.22 C ATOM 1921 CE LYS A 202 33.563 37.840 36.918 1.00 34.09 C ATOM 1922 NZ LYS A 202 34.183 38.064 38.253 1.00 35.47 N ATOM 1923 HZ1 LYS A 202 34.451 37.149 38.667 1.00 0.00 H ATOM 1924 HZ2 LYS A 202 35.030 38.658 38.145 1.00 0.00 H ATOM 1925 HZ3 LYS A 202 33.500 38.541 38.875 1.00 0.00 H ATOM 1926 H LYS A 202 36.857 36.568 33.134 1.00 0.00 H ATOM 1927 N GLN A 203 39.516 35.892 33.718 1.00 34.81 N ATOM 1928 CA GLN A 203 40.775 35.159 33.498 1.00 38.93 C ATOM 1929 C GLN A 203 41.757 35.974 32.620 1.00 39.52 C ATOM 1930 O GLN A 203 42.802 35.438 32.190 1.00 39.09 O ATOM 1931 CB GLN A 203 40.496 33.841 32.763 1.00 42.29 C ATOM 1932 CG GLN A 203 40.180 32.613 33.600 1.00 44.78 C ATOM 1933 CD GLN A 203 39.689 31.450 32.717 1.00 50.50 C ATOM 1934 OE1 GLN A 203 40.035 31.346 31.518 1.00 45.61 O ATOM 1935 NE2 GLN A 203 38.885 30.560 33.308 1.00 48.55 N ATOM 1936 HE22 GLN A 203 38.620 30.681 34.306 1.00 0.00 H ATOM 1937 HE21 GLN A 203 38.525 29.747 32.769 1.00 0.00 H ATOM 1938 H GLN A 203 38.814 35.890 32.951 1.00 0.00 H ATOM 1939 N LEU A 204 41.430 37.246 32.324 1.00 38.88 N ATOM 1940 CA LEU A 204 42.257 38.050 31.399 1.00 32.98 C ATOM 1941 C LEU A 204 43.708 38.253 31.868 1.00 38.01 C ATOM 1942 O LEU A 204 44.548 38.642 31.013 1.00 34.65 O ATOM 1943 CB LEU A 204 41.585 39.384 31.020 1.00 33.63 C ATOM 1944 CG LEU A 204 40.556 39.344 29.877 1.00 32.04 C ATOM 1945 CD1 LEU A 204 39.900 40.703 29.597 1.00 29.81 C ATOM 1946 CD2 LEU A 204 41.265 38.804 28.624 1.00 30.20 C ATOM 1947 OXT LEU A 204 44.063 38.021 33.062 1.00 34.82 O ATOM 1948 H LEU A 204 40.582 37.670 32.753 1.00 0.00 H TER 1949 LEU A 204 HETATM 1950 O HOH 1 15.327 24.101 5.994 1.00 29.27 O HETATM 1951 O HOH 2 31.600 38.658 28.097 1.00 30.99 O HETATM 1952 O HOH 3 40.438 39.862 33.743 1.00 31.41 O HETATM 1953 O HOH 4 8.300 51.029 -3.397 1.00 35.23 O HETATM 1954 O HOH 5 21.800 42.887 34.285 1.00 29.02 O HETATM 1955 O HOH 6 28.042 31.222 28.059 1.00 24.04 O HETATM 1956 O HOH 7 20.610 35.190 21.447 1.00 18.60 O HETATM 1957 O HOH 8 22.566 49.308 17.689 1.00 21.27 O HETATM 1958 O HOH 9 19.771 39.233 18.203 1.00 33.90 O HETATM 1959 O HOH 10 22.932 38.899 -0.275 1.00 28.86 O HETATM 1960 O HOH 11 16.302 46.408 20.178 1.00 34.06 O HETATM 1961 O HOH 12 10.238 37.658 22.011 1.00 24.87 O HETATM 1962 C1 UNN A 13 37.156 42.786 12.471 1.00 -0.04 C HETATM 1963 C2 UNN A 13 37.716 43.429 13.565 1.00 0.03 C HETATM 1964 C3 UNN A 13 38.900 42.954 14.161 1.00 -0.04 C HETATM 1965 C4 UNN A 13 39.534 41.796 13.664 1.00 0.02 C HETATM 1966 C5 UNN A 13 38.955 41.149 12.580 1.00 -0.04 C HETATM 1967 C6 UNN A 13 37.796 41.655 12.005 1.00 0.03 C HETATM 1968 CL7 UNN A 13 37.102 40.847 10.671 1.00 -0.07 CL HETATM 1969 H24 UNN A 13 39.408 40.248 12.182 1.00 0.06 H HETATM 1970 C9 UNN A 13 40.801 41.188 14.291 1.00 0.10 C HETATM 1971 C10 UNN A 13 40.261 40.038 15.108 1.00 0.24 C HETATM 1972 O12 UNN A 13 40.045 38.939 14.599 1.00 -0.39 O HETATM 1973 N13 UNN A 13 39.995 40.322 16.405 1.00 -0.26 N HETATM 1974 C14 UNN A 13 39.482 39.277 17.263 1.00 0.14 C HETATM 1975 C15 UNN A 13 38.254 39.875 17.897 1.00 0.20 C HETATM 1976 N16 UNN A 13 37.506 39.003 18.575 1.00 -0.27 N HETATM 1977 C22 UNN A 13 36.339 39.502 19.266 1.00 0.12 C HETATM 1978 C23 UNN A 13 35.955 38.459 20.264 1.00 0.20 C HETATM 1979 N24 UNN A 13 35.474 38.907 21.466 1.00 -0.29 N HETATM 1980 C25 UNN A 13 35.016 37.985 22.503 1.00 0.03 C HETATM 1981 C27 UNN A 13 33.487 38.127 22.554 1.00 -0.01 C HETATM 1982 C28 UNN A 13 32.905 39.542 22.770 1.00 0.07 C HETATM 1983 S29 UNN A 13 32.357 39.887 24.386 1.00 -0.03 S HETATM 1984 C30 UNN A 13 33.968 39.794 25.207 1.00 0.05 C HETATM 1985 H21 UNN A 13 33.843 39.989 26.282 1.00 0.05 H HETATM 1986 H22 UNN A 13 34.644 40.546 24.774 1.00 0.05 H HETATM 1987 H23 UNN A 13 34.395 38.791 25.064 1.00 0.05 H HETATM 1988 O31 UNN A 13 31.543 38.702 24.721 1.00 -0.17 O HETATM 1989 O32 UNN A 13 31.845 41.253 24.576 1.00 -0.17 O HETATM 1990 H19 UNN A 13 32.050 39.665 22.089 1.00 0.05 H HETATM 1991 H20 UNN A 13 33.686 40.273 22.514 1.00 0.05 H HETATM 1992 H17 UNN A 13 33.125 37.494 23.377 1.00 0.03 H HETATM 1993 H18 UNN A 13 33.090 37.750 21.600 1.00 0.03 H HETATM 1994 H15 UNN A 13 35.295 36.953 22.246 1.00 0.05 H HETATM 1995 H16 UNN A 13 35.457 38.253 23.474 1.00 0.05 H HETATM 1996 H30 UNN A 13 35.435 39.891 21.638 1.00 0.19 H HETATM 1997 O26 UNN A 13 36.089 37.291 19.887 1.00 -0.39 O HETATM 1998 H13 UNN A 13 36.576 40.447 19.777 1.00 0.08 H HETATM 1999 H14 UNN A 13 35.517 39.666 18.553 1.00 0.08 H HETATM 2000 H29 UNN A 13 37.746 38.033 18.604 1.00 0.19 H HETATM 2001 O17 UNN A 13 38.020 41.094 17.816 1.00 -0.39 O HETATM 2002 C18 UNN A 13 40.586 38.997 18.352 1.00 0.00 C HETATM 2003 C19 UNN A 13 40.255 37.908 19.442 1.00 -0.06 C HETATM 2004 H4 UNN A 13 41.104 37.813 20.135 1.00 0.02 H HETATM 2005 H5 UNN A 13 40.072 36.941 18.951 1.00 0.02 H HETATM 2006 H6 UNN A 13 39.358 38.210 20.002 1.00 0.02 H HETATM 2007 C20 UNN A 13 41.930 38.498 17.716 1.00 -0.06 C HETATM 2008 H7 UNN A 13 42.248 39.202 16.933 1.00 0.02 H HETATM 2009 H8 UNN A 13 41.779 37.502 17.275 1.00 0.02 H HETATM 2010 H9 UNN A 13 42.705 38.441 18.494 1.00 0.02 H HETATM 2011 C21 UNN A 13 40.788 40.379 19.070 1.00 -0.06 C HETATM 2012 H10 UNN A 13 39.834 40.708 19.507 1.00 0.02 H HETATM 2013 H11 UNN A 13 41.133 41.125 18.339 1.00 0.02 H HETATM 2014 H12 UNN A 13 41.539 40.272 19.867 1.00 0.02 H HETATM 2015 H3 UNN A 13 39.240 38.361 16.703 1.00 0.08 H HETATM 2016 H28 UNN A 13 40.151 41.242 16.765 1.00 0.19 H HETATM 2017 N11 UNN A 13 41.765 40.670 13.310 1.00 0.26 N HETATM 2018 C33 UNN A 13 43.173 40.699 13.736 1.00 -0.03 C HETATM 2019 C34 UNN A 13 44.061 40.631 12.457 1.00 -0.02 C HETATM 2020 H33 UNN A 13 45.122 40.651 12.746 1.00 0.03 H HETATM 2021 H34 UNN A 13 43.840 41.494 11.811 1.00 0.03 H HETATM 2022 H35 UNN A 13 43.847 39.700 11.911 1.00 0.03 H HETATM 2023 H31 UNN A 13 43.385 39.836 14.385 1.00 0.08 H HETATM 2024 H32 UNN A 13 43.379 41.630 14.285 1.00 0.08 H HETATM 2025 H26 UNN A 13 41.682 41.222 12.471 1.00 0.20 H HETATM 2026 H27 UNN A 13 41.520 39.713 13.108 1.00 0.20 H HETATM 2027 H25 UNN A 13 41.302 41.930 14.930 1.00 0.13 H HETATM 2028 H2 UNN A 13 39.327 43.481 15.007 1.00 0.06 H HETATM 2029 CL8 UNN A 13 36.889 44.855 14.132 1.00 -0.07 CL HETATM 2030 H1 UNN A 13 36.252 43.157 12.001 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1962 1963 1967 2030 CONECT 1963 1962 1964 2029 CONECT 1964 1963 1965 2028 CONECT 1965 1964 1966 1970 CONECT 1966 1965 1967 1969 CONECT 1967 1962 1966 1968 CONECT 1968 1967 CONECT 1969 1966 CONECT 1970 1965 1971 2017 2027 CONECT 1971 1970 1972 1973 CONECT 1972 1971 CONECT 1973 1971 1974 2016 CONECT 1974 1973 1975 2002 2015 CONECT 1975 1974 1976 2001 CONECT 1976 1975 1977 2000 CONECT 1977 1976 1978 1998 1999 CONECT 1978 1977 1979 1997 CONECT 1979 1978 1980 1996 CONECT 1980 1979 1981 1994 1995 CONECT 1981 1980 1982 1992 1993 CONECT 1982 1981 1983 1990 1991 CONECT 1983 1982 1984 1988 1989 CONECT 1984 1983 1985 1986 1987 CONECT 1985 1984 CONECT 1986 1984 CONECT 1987 1984 CONECT 1988 1983 CONECT 1989 1983 CONECT 1990 1982 CONECT 1991 1982 CONECT 1992 1981 CONECT 1993 1981 CONECT 1994 1980 CONECT 1995 1980 CONECT 1996 1979 CONECT 1997 1978 CONECT 1998 1977 CONECT 1999 1977 CONECT 2000 1976 CONECT 2001 1975 CONECT 2002 1974 2003 2007 2011 CONECT 2003 2002 2004 2005 2006 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2003 CONECT 2007 2002 2008 2009 2010 CONECT 2008 2007 CONECT 2009 2007 CONECT 2010 2007 CONECT 2011 2002 2012 2013 2014 CONECT 2012 2011 CONECT 2013 2011 CONECT 2014 2011 CONECT 2015 1974 CONECT 2016 1973 CONECT 2017 1970 2018 2025 2026 CONECT 2018 2017 2019 2023 2024 CONECT 2019 2018 2020 2021 2022 CONECT 2020 2019 CONECT 2021 2019 CONECT 2022 2019 CONECT 2023 2018 CONECT 2024 2018 CONECT 2025 2017 CONECT 2026 2017 CONECT 2027 1970 CONECT 2028 1964 CONECT 2029 1963 CONECT 2030 1962 MASTER 0 0 0 0 0 0 0 0 2029 1 73 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Protein-Ligand
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Related entries of code: 4wx6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4piq
RCSB PDB
PDBbind
11aa, >4PIQ_2|Chain... *
4pis
RCSB PDB
PDBbind
11aa, >4PIS_2|Chain... at 100%
4wx7
RCSB PDB
PDBbind
11aa, >4WX7_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4wx6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protease
Ligand Name
3VK
EC.Number
E.C.3.4.22.39
Resolution
2.15(Å)
Affinity (Kd/Ki/IC50)
IC50<0.001uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Bioorg.Med.Chem.Lett. Vol. 25: pp. 438-443
Ligand Properties
Formula
C
2
2
H
3
5
Cl
2
N
4
O
5
S
Molecular Weight
538.508
Exact Mass
537.171
No. of atoms
69
No. of bonds
69
Polar Surface Area
146.43
LOGP Value
2.64 (
Computed with XLOGP3
)
3.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
Canonical SMILES
CC[NH2+][C@@H](c1cc(Cl)cc(c1)Cl)C(=O)N[C@@H](C(C)(C)C)C(=O)NCC(=O)NCCCS(=O)(=O)C
InChI String
InChI=1S/C22H34Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h10-12,18-19,25H,6-9,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/p+1/t18-,19+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
B9A5C1
B9A5F5
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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