Browse entries in the PDBbind-CN Database
HEADER 5JF4_COMPLEX COMPND 5JF4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 ALA ALA ILE ASP LYS LEU VAL LYS ALA SER HIS LEU ILE SEQRES 2 A 129 ASP MET ASN ASP ILE ILE ARG GLU GLY ASN PRO THR LEU SEQRES 3 A 129 ARG LYS VAL ALA GLU GLU VAL THR PHE PRO LEU SER GLU SEQRES 4 A 129 LYS GLU GLU ILE LEU GLY GLU LYS MET MET GLN PHE LEU SEQRES 5 A 129 LYS HIS SER GLN ASP PRO ILE MET ALA GLU LYS LEU GLY SEQRES 6 A 129 LEU ARG GLY GLY VAL GLY LEU ALA ALA PRO GLN LEU ASP SEQRES 7 A 129 ILE SER LYS ARG ILE ILE ALA VAL LEU VAL PRO ASN VAL SEQRES 8 A 129 GLU ASP ALA GLN GLY ASN PRO PRO LYS GLU ALA TYR SER SEQRES 9 A 129 LEU GLN GLU VAL MET TYR ASN PRO LYS VAL VAL SER HIS SEQRES 10 A 129 SER VAL GLN ASP ALA ALA LEU SER ASP GLY GLU GLY SEQRES 1 A 73 LEU SER VAL ASP ARG GLU VAL PRO GLY TYR VAL VAL ARG SEQRES 2 A 73 HIS ALA ARG VAL THR ILE GLU TYR PHE ASP LYS THR GLY SEQRES 3 A 73 GLU LYS HIS ARG LEU LYS LEU LYS GLY TYR ASN SER ILE SEQRES 4 A 73 VAL VAL GLN HIS GLU ILE ASP HIS ILE ASP GLY ILE MET SEQRES 5 A 73 PHE TYR ASP ARG ILE ASN GLU LYS ASN PRO PHE ALA VAL SEQRES 6 A 73 LYS GLU GLY LEU LEU ILE LEU GLU HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ZN A 5 1 HET ZN A 6 1 HET ZN A 7 1 HET ZN A 8 1 HET ZN A 9 1 HET UNN A 405 28 ATOM 1 N ALA A 2 2.095 -17.848 28.529 1.00 43.95 N ATOM 2 CA ALA A 2 2.356 -17.364 27.148 1.00 42.13 C ATOM 3 C ALA A 2 1.253 -16.358 26.849 1.00 40.52 C ATOM 4 O ALA A 2 0.203 -16.401 27.500 1.00 41.17 O ATOM 5 CB ALA A 2 2.313 -18.538 26.148 1.00 41.54 C ATOM 6 HN3 ALA A 2 1.156 -18.293 28.567 1.00 0.00 H ATOM 7 HN2 ALA A 2 2.126 -17.044 29.188 1.00 0.00 H ATOM 8 HN1 ALA A 2 2.821 -18.544 28.794 1.00 0.00 H ATOM 9 N ALA A 3 1.485 -15.454 25.900 1.00 37.98 N ATOM 10 CA ALA A 3 0.427 -14.533 25.464 1.00 36.37 C ATOM 11 C ALA A 3 -0.944 -15.220 25.334 1.00 34.45 C ATOM 12 O ALA A 3 -1.949 -14.671 25.802 1.00 34.16 O ATOM 13 CB ALA A 3 0.802 -13.815 24.155 1.00 34.47 C ATOM 14 H ALA A 3 2.427 -15.399 25.462 1.00 0.00 H ATOM 15 N ILE A 4 -0.983 -16.413 24.734 1.00 33.33 N ATOM 16 CA ILE A 4 -2.265 -16.986 24.322 1.00 32.01 C ATOM 17 C ILE A 4 -3.065 -17.422 25.505 1.00 33.47 C ATOM 18 O ILE A 4 -4.278 -17.474 25.457 1.00 33.26 O ATOM 19 CB ILE A 4 -2.165 -18.164 23.286 1.00 31.88 C ATOM 20 CG1 ILE A 4 -3.587 -18.491 22.779 1.00 29.26 C ATOM 21 CG2 ILE A 4 -1.392 -19.376 23.873 1.00 29.96 C ATOM 22 CD1 ILE A 4 -3.673 -18.891 21.387 1.00 31.75 C ATOM 23 H ILE A 4 -0.101 -16.935 24.559 1.00 0.00 H ATOM 24 N ASP A 5 -2.346 -17.762 26.563 1.00 35.71 N ATOM 25 CA ASP A 5 -2.926 -18.188 27.816 1.00 37.80 C ATOM 26 C ASP A 5 -3.596 -17.036 28.561 1.00 36.92 C ATOM 27 O ASP A 5 -4.672 -17.209 29.049 1.00 37.88 O ATOM 28 CB ASP A 5 -1.870 -18.939 28.620 1.00 40.14 C ATOM 29 CG ASP A 5 -1.515 -20.279 27.971 1.00 44.02 C ATOM 30 OD1 ASP A 5 -2.393 -21.184 27.930 1.00 50.70 O ATOM 31 OD2 ASP A 5 -0.384 -20.425 27.460 1.00 49.61 O ATOM 32 H ASP A 5 -1.310 -17.720 26.489 1.00 0.00 H ATOM 33 N LYS A 6 -2.993 -15.850 28.579 1.00 36.48 N ATOM 34 CA LYS A 6 -3.670 -14.624 29.032 1.00 36.14 C ATOM 35 C LYS A 6 -4.968 -14.334 28.205 1.00 35.00 C ATOM 36 O LYS A 6 -6.072 -14.214 28.746 1.00 34.35 O ATOM 37 CB LYS A 6 -2.687 -13.442 29.004 1.00 35.70 C ATOM 38 H LYS A 6 -2.005 -15.787 28.261 1.00 0.00 H ATOM 39 N LEU A 7 -4.821 -14.311 26.881 1.00 33.81 N ATOM 40 CA LEU A 7 -5.901 -13.967 25.964 1.00 32.51 C ATOM 41 C LEU A 7 -7.163 -14.809 26.026 1.00 31.68 C ATOM 42 O LEU A 7 -8.256 -14.287 25.849 1.00 30.77 O ATOM 43 CB LEU A 7 -5.373 -13.964 24.536 1.00 32.62 C ATOM 44 CG LEU A 7 -4.201 -13.015 24.236 1.00 32.66 C ATOM 45 CD1 LEU A 7 -4.012 -13.035 22.770 1.00 31.55 C ATOM 46 CD2 LEU A 7 -4.481 -11.605 24.729 1.00 32.15 C ATOM 47 H LEU A 7 -3.891 -14.550 26.482 1.00 0.00 H ATOM 48 N VAL A 8 -7.016 -16.107 26.272 1.00 31.99 N ATOM 49 CA VAL A 8 -8.162 -17.040 26.211 1.00 30.98 C ATOM 50 C VAL A 8 -8.845 -17.380 27.549 1.00 32.08 C ATOM 51 O VAL A 8 -9.868 -18.081 27.536 1.00 32.47 O ATOM 52 CB VAL A 8 -7.855 -18.344 25.397 1.00 30.16 C ATOM 53 CG1 VAL A 8 -7.230 -17.993 24.066 1.00 29.45 C ATOM 54 CG2 VAL A 8 -6.957 -19.267 26.162 1.00 30.81 C ATOM 55 H VAL A 8 -6.074 -16.475 26.513 1.00 0.00 H ATOM 56 N LYS A 9 -8.312 -16.898 28.675 1.00 32.53 N ATOM 57 CA LYS A 9 -9.060 -16.918 29.947 1.00 34.58 C ATOM 58 C LYS A 9 -10.497 -16.395 29.709 1.00 34.41 C ATOM 59 O LYS A 9 -10.713 -15.377 29.029 1.00 34.50 O ATOM 60 CB LYS A 9 -8.293 -16.126 31.109 1.00 35.67 C ATOM 61 H LYS A 9 -7.351 -16.501 28.655 1.00 0.00 H ATOM 62 N ALA A 10 -11.493 -17.131 30.178 1.00 35.60 N ATOM 63 CA ALA A 10 -12.891 -16.817 29.859 1.00 35.81 C ATOM 64 C ALA A 10 -13.296 -15.366 30.142 1.00 36.56 C ATOM 65 O ALA A 10 -14.114 -14.785 29.403 1.00 37.21 O ATOM 66 CB ALA A 10 -13.808 -17.747 30.624 1.00 36.72 C ATOM 67 H ALA A 10 -11.280 -17.948 30.785 1.00 0.00 H ATOM 68 N SER A 11 -12.776 -14.793 31.227 1.00 36.70 N ATOM 69 CA SER A 11 -13.146 -13.442 31.635 1.00 37.31 C ATOM 70 C SER A 11 -12.316 -12.333 30.988 1.00 35.14 C ATOM 71 O SER A 11 -12.631 -11.161 31.154 1.00 36.65 O ATOM 72 CB SER A 11 -13.052 -13.303 33.157 1.00 39.41 C ATOM 73 OG SER A 11 -11.703 -13.556 33.556 1.00 42.36 O ATOM 74 HG SER A 11 -11.446 -14.473 33.284 1.00 0.00 H ATOM 75 H SER A 11 -12.088 -15.323 31.798 1.00 0.00 H ATOM 76 N HIS A 12 -11.260 -12.696 30.270 1.00 32.69 N ATOM 77 CA HIS A 12 -10.387 -11.737 29.615 1.00 29.65 C ATOM 78 C HIS A 12 -10.964 -11.042 28.387 1.00 28.10 C ATOM 79 O HIS A 12 -11.430 -11.720 27.439 1.00 27.26 O ATOM 80 CB HIS A 12 -9.089 -12.378 29.197 1.00 28.79 C ATOM 81 CG HIS A 12 -8.036 -11.363 28.885 1.00 29.42 C ATOM 82 ND1 HIS A 12 -7.669 -11.039 27.596 1.00 30.26 N ATOM 83 CD2 HIS A 12 -7.318 -10.552 29.698 1.00 29.06 C ATOM 84 CE1 HIS A 12 -6.752 -10.089 27.631 1.00 31.16 C ATOM 85 NE2 HIS A 12 -6.526 -9.774 28.894 1.00 30.47 N ATOM 86 H HIS A 12 -11.049 -13.710 30.172 1.00 0.00 H ATOM 87 N LEU A 13 -10.892 -9.699 28.389 1.00 26.62 N ATOM 88 CA LEU A 13 -11.257 -8.900 27.218 1.00 24.54 C ATOM 89 C LEU A 13 -10.011 -8.246 26.642 1.00 24.12 C ATOM 90 O LEU A 13 -9.252 -7.589 27.358 1.00 23.99 O ATOM 91 CB LEU A 13 -12.382 -7.850 27.482 1.00 24.05 C ATOM 92 CG LEU A 13 -13.688 -8.312 28.135 1.00 23.83 C ATOM 93 CD1 LEU A 13 -14.549 -7.135 28.461 1.00 23.50 C ATOM 94 CD2 LEU A 13 -14.426 -9.287 27.273 1.00 22.79 C ATOM 95 H LEU A 13 -10.567 -9.213 29.249 1.00 0.00 H ATOM 96 N ILE A 14 -9.816 -8.455 25.330 1.00 23.37 N ATOM 97 CA ILE A 14 -8.698 -7.854 24.595 1.00 22.85 C ATOM 98 C ILE A 14 -8.905 -6.336 24.638 1.00 23.06 C ATOM 99 O ILE A 14 -10.017 -5.819 24.455 1.00 23.00 O ATOM 100 CB ILE A 14 -8.581 -8.430 23.115 1.00 21.46 C ATOM 101 CG1 ILE A 14 -8.209 -9.920 23.142 1.00 21.76 C ATOM 102 CG2 ILE A 14 -7.614 -7.620 22.274 1.00 18.67 C ATOM 103 CD1 ILE A 14 -8.136 -10.562 21.731 1.00 20.94 C ATOM 104 H ILE A 14 -10.483 -9.066 24.816 1.00 0.00 H ATOM 105 N ASP A 15 -7.842 -5.644 24.975 1.00 23.42 N ATOM 106 CA ASP A 15 -7.808 -4.203 24.934 1.00 23.72 C ATOM 107 C ASP A 15 -6.450 -3.780 24.331 1.00 22.62 C ATOM 108 O ASP A 15 -5.711 -4.625 23.835 1.00 20.93 O ATOM 109 CB ASP A 15 -8.059 -3.609 26.344 1.00 25.45 C ATOM 110 CG ASP A 15 -6.955 -3.976 27.407 1.00 27.35 C ATOM 111 OD1 ASP A 15 -5.747 -4.171 27.113 1.00 27.26 O ATOM 112 OD2 ASP A 15 -7.330 -4.042 28.602 1.00 31.09 O ATOM 113 H ASP A 15 -6.991 -6.155 25.284 1.00 0.00 H ATOM 114 N MET A 16 -6.112 -2.499 24.420 1.00 23.72 N ATOM 115 CA MET A 16 -4.861 -1.978 23.843 1.00 24.62 C ATOM 116 C MET A 16 -3.595 -2.469 24.512 1.00 25.51 C ATOM 117 O MET A 16 -2.529 -2.455 23.903 1.00 26.48 O ATOM 118 CB MET A 16 -4.865 -0.449 23.809 1.00 24.82 C ATOM 119 CG MET A 16 -5.998 0.138 22.979 1.00 25.11 C ATOM 120 SD MET A 16 -6.172 -0.582 21.310 1.00 29.40 S ATOM 121 CE MET A 16 -4.583 -0.101 20.534 1.00 26.01 C ATOM 122 H MET A 16 -6.751 -1.843 24.913 1.00 0.00 H ATOM 123 N ASN A 17 -3.687 -2.908 25.761 1.00 26.88 N ATOM 124 CA ASN A 17 -2.499 -3.412 26.450 1.00 27.23 C ATOM 125 C ASN A 17 -2.090 -4.800 25.991 1.00 25.21 C ATOM 126 O ASN A 17 -1.045 -5.288 26.363 1.00 25.03 O ATOM 127 CB ASN A 17 -2.667 -3.369 27.978 1.00 29.43 C ATOM 128 CG ASN A 17 -2.745 -1.945 28.518 1.00 32.20 C ATOM 129 OD1 ASN A 17 -2.132 -1.014 27.988 1.00 36.48 O ATOM 130 ND2 ASN A 17 -3.505 -1.774 29.573 1.00 35.29 N ATOM 131 HD22 ASN A 17 -4.005 -2.585 29.990 1.00 0.00 H ATOM 132 HD21 ASN A 17 -3.607 -0.828 29.992 1.00 0.00 H ATOM 133 H ASN A 17 -4.605 -2.894 26.250 1.00 0.00 H ATOM 134 N ASP A 18 -2.922 -5.419 25.173 1.00 23.40 N ATOM 135 CA ASP A 18 -2.599 -6.698 24.555 1.00 22.91 C ATOM 136 C ASP A 18 -1.905 -6.571 23.210 1.00 21.28 C ATOM 137 O ASP A 18 -1.412 -7.579 22.705 1.00 20.66 O ATOM 138 CB ASP A 18 -3.889 -7.470 24.343 1.00 23.44 C ATOM 139 CG ASP A 18 -4.530 -7.823 25.639 1.00 26.60 C ATOM 140 OD1 ASP A 18 -3.750 -8.141 26.582 1.00 27.75 O ATOM 141 OD2 ASP A 18 -5.770 -7.759 25.711 1.00 27.19 O ATOM 142 H ASP A 18 -3.840 -4.978 24.963 1.00 0.00 H ATOM 143 N ILE A 19 -1.874 -5.342 22.662 1.00 19.50 N ATOM 144 CA ILE A 19 -1.437 -5.079 21.313 1.00 18.93 C ATOM 145 C ILE A 19 0.041 -4.735 21.327 1.00 20.82 C ATOM 146 O ILE A 19 0.474 -3.807 22.039 1.00 21.52 O ATOM 147 CB ILE A 19 -2.399 -4.061 20.567 1.00 18.21 C ATOM 148 CG1 ILE A 19 -3.678 -4.810 20.165 1.00 17.22 C ATOM 149 CG2 ILE A 19 -1.773 -3.487 19.295 1.00 17.12 C ATOM 150 CD1 ILE A 19 -4.877 -4.021 20.298 1.00 15.99 C ATOM 151 H ILE A 19 -2.182 -4.537 23.244 1.00 0.00 H ATOM 152 N ILE A 20 0.840 -5.519 20.601 1.00 20.76 N ATOM 153 CA ILE A 20 2.286 -5.258 20.602 1.00 21.35 C ATOM 154 C ILE A 20 2.605 -4.107 19.668 1.00 22.85 C ATOM 155 O ILE A 20 1.775 -3.697 18.819 1.00 22.91 O ATOM 156 CB ILE A 20 3.129 -6.496 20.292 1.00 21.51 C ATOM 157 CG1 ILE A 20 2.848 -7.016 18.863 1.00 20.45 C ATOM 158 CG2 ILE A 20 2.868 -7.552 21.330 1.00 20.68 C ATOM 159 CD1 ILE A 20 3.785 -8.117 18.391 1.00 17.45 C ATOM 160 H ILE A 20 0.445 -6.303 20.043 1.00 0.00 H ATOM 161 N ARG A 21 3.783 -3.536 19.850 1.00 24.33 N ATOM 162 CA ARG A 21 4.098 -2.317 19.143 1.00 25.75 C ATOM 163 C ARG A 21 5.207 -2.474 18.094 1.00 24.70 C ATOM 164 O ARG A 21 6.026 -3.403 18.099 1.00 22.96 O ATOM 165 CB ARG A 21 4.439 -1.185 20.145 1.00 28.23 C ATOM 166 CG ARG A 21 3.289 -0.850 21.150 1.00 34.27 C ATOM 167 CD ARG A 21 1.884 -0.625 20.448 1.00 41.30 C ATOM 168 NE ARG A 21 0.804 -0.924 21.402 1.00 46.53 N ATOM 169 CZ ARG A 21 -0.132 -0.063 21.811 1.00 48.32 C ATOM 170 NH1 ARG A 21 -1.035 -0.413 22.731 1.00 46.17 N ATOM 171 NH2 ARG A 21 -0.176 1.148 21.295 1.00 50.71 N ATOM 172 HE ARG A 21 0.766 -1.888 21.791 1.00 0.00 H ATOM 173 HH12 ARG A 21 -1.757 0.270 23.038 1.00 0.00 H ATOM 174 HH11 ARG A 21 -1.016 -1.369 23.141 1.00 0.00 H ATOM 175 HH22 ARG A 21 -0.903 1.822 21.610 1.00 0.00 H ATOM 176 HH21 ARG A 21 0.516 1.431 20.572 1.00 0.00 H ATOM 177 H ARG A 21 4.477 -3.961 20.497 1.00 0.00 H ATOM 178 N GLU A 22 5.197 -1.507 17.195 1.00 24.74 N ATOM 179 CA GLU A 22 6.257 -1.292 16.265 1.00 24.54 C ATOM 180 C GLU A 22 7.631 -1.524 16.874 1.00 25.08 C ATOM 181 O GLU A 22 8.021 -0.853 17.823 1.00 26.14 O ATOM 182 CB GLU A 22 6.140 0.129 15.798 1.00 25.23 C ATOM 183 CG GLU A 22 6.081 0.179 14.329 1.00 24.57 C ATOM 184 CD GLU A 22 6.421 1.499 13.787 1.00 24.25 C ATOM 185 OE1 GLU A 22 6.189 2.531 14.454 1.00 22.99 O ATOM 186 OE2 GLU A 22 6.905 1.493 12.652 1.00 29.77 O ATOM 187 H GLU A 22 4.375 -0.870 17.163 1.00 0.00 H ATOM 188 N GLY A 23 8.366 -2.481 16.331 1.00 23.81 N ATOM 189 CA GLY A 23 9.641 -2.775 16.865 1.00 23.93 C ATOM 190 C GLY A 23 9.680 -4.186 17.392 1.00 24.85 C ATOM 191 O GLY A 23 10.745 -4.815 17.347 1.00 26.20 O ATOM 192 H GLY A 23 8.007 -3.015 15.514 1.00 0.00 H ATOM 193 N ASN A 24 8.543 -4.702 17.860 1.00 23.30 N ATOM 194 CA ASN A 24 8.469 -6.056 18.362 1.00 23.52 C ATOM 195 C ASN A 24 8.673 -7.037 17.234 1.00 23.37 C ATOM 196 O ASN A 24 7.930 -6.969 16.244 1.00 23.32 O ATOM 197 CB ASN A 24 7.099 -6.327 18.943 1.00 23.05 C ATOM 198 CG ASN A 24 7.052 -7.620 19.711 1.00 24.52 C ATOM 199 OD1 ASN A 24 7.427 -8.710 19.217 1.00 23.66 O ATOM 200 ND2 ASN A 24 6.554 -7.525 20.937 1.00 26.03 N ATOM 201 HD22 ASN A 24 6.255 -6.600 21.307 1.00 0.00 H ATOM 202 HD21 ASN A 24 6.462 -8.376 21.528 1.00 0.00 H ATOM 203 H ASN A 24 7.685 -4.114 17.864 1.00 0.00 H ATOM 204 N PRO A 25 9.681 -7.955 17.358 1.00 23.99 N ATOM 205 CA PRO A 25 10.020 -8.843 16.229 1.00 21.96 C ATOM 206 C PRO A 25 8.898 -9.694 15.668 1.00 19.96 C ATOM 207 O PRO A 25 9.016 -10.113 14.531 1.00 21.33 O ATOM 208 CB PRO A 25 11.130 -9.734 16.808 1.00 24.32 C ATOM 209 CG PRO A 25 11.764 -8.856 17.926 1.00 24.60 C ATOM 210 CD PRO A 25 10.576 -8.197 18.528 1.00 24.74 C ATOM 211 N THR A 26 7.842 -9.959 16.429 1.00 17.59 N ATOM 212 CA THR A 26 6.706 -10.792 16.006 1.00 16.02 C ATOM 213 C THR A 26 5.917 -10.208 14.813 1.00 14.79 C ATOM 214 O THR A 26 5.355 -10.955 14.027 1.00 15.21 O ATOM 215 CB THR A 26 5.758 -11.147 17.243 1.00 16.22 C ATOM 216 OG1 THR A 26 6.556 -11.681 18.295 1.00 18.97 O ATOM 217 CG2 THR A 26 4.669 -12.229 16.916 1.00 13.40 C ATOM 218 HG1 THR A 26 5.977 -11.904 19.066 1.00 0.00 H ATOM 219 H THR A 26 7.817 -9.551 17.385 1.00 0.00 H ATOM 220 N LEU A 27 5.859 -8.881 14.704 1.00 13.91 N ATOM 221 CA LEU A 27 5.241 -8.181 13.574 1.00 11.90 C ATOM 222 C LEU A 27 5.930 -8.373 12.236 1.00 11.65 C ATOM 223 O LEU A 27 5.346 -8.058 11.201 1.00 11.86 O ATOM 224 CB LEU A 27 5.136 -6.667 13.868 1.00 12.02 C ATOM 225 CG LEU A 27 4.257 -6.275 15.057 1.00 11.30 C ATOM 226 CD1 LEU A 27 4.437 -4.806 15.446 1.00 9.32 C ATOM 227 CD2 LEU A 27 2.788 -6.648 14.785 1.00 9.50 C ATOM 228 H LEU A 27 6.277 -8.309 15.465 1.00 0.00 H ATOM 229 N ARG A 28 7.173 -8.864 12.274 1.00 11.97 N ATOM 230 CA ARG A 28 8.039 -9.064 11.115 1.00 10.73 C ATOM 231 C ARG A 28 8.215 -10.546 10.754 1.00 10.54 C ATOM 232 O ARG A 28 8.882 -10.877 9.804 1.00 9.33 O ATOM 233 CB ARG A 28 9.416 -8.408 11.344 1.00 11.27 C ATOM 234 CG ARG A 28 9.483 -6.910 11.114 1.00 12.15 C ATOM 235 CD ARG A 28 8.731 -6.456 9.842 1.00 12.21 C ATOM 236 NE ARG A 28 8.958 -5.064 9.454 1.00 14.86 N ATOM 237 CZ ARG A 28 8.493 -4.485 8.326 1.00 14.96 C ATOM 238 NH1 ARG A 28 8.776 -3.200 8.054 1.00 10.50 N ATOM 239 NH2 ARG A 28 7.730 -5.168 7.467 1.00 12.34 N ATOM 240 HE ARG A 28 9.522 -4.473 10.098 1.00 0.00 H ATOM 241 HH12 ARG A 28 8.414 -2.761 7.183 1.00 0.00 H ATOM 242 HH11 ARG A 28 9.357 -2.644 8.714 1.00 0.00 H ATOM 243 HH22 ARG A 28 7.380 -4.708 6.603 1.00 0.00 H ATOM 244 HH21 ARG A 28 7.486 -6.160 7.663 1.00 0.00 H ATOM 245 H ARG A 28 7.555 -9.125 13.206 1.00 0.00 H ATOM 246 N LYS A 29 7.619 -11.444 11.519 1.00 11.18 N ATOM 247 CA LYS A 29 7.686 -12.840 11.154 1.00 12.62 C ATOM 248 C LYS A 29 6.641 -13.215 10.122 1.00 12.33 C ATOM 249 O LYS A 29 5.683 -12.472 9.939 1.00 12.17 O ATOM 250 CB LYS A 29 7.489 -13.688 12.403 1.00 13.54 C ATOM 251 CG LYS A 29 8.626 -13.524 13.398 1.00 16.45 C ATOM 252 CD LYS A 29 8.275 -14.268 14.651 1.00 23.78 C ATOM 253 CE LYS A 29 9.507 -14.411 15.545 1.00 30.98 C ATOM 254 NZ LYS A 29 9.077 -14.741 16.937 1.00 35.10 N ATOM 255 HZ1 LYS A 29 8.470 -13.979 17.301 1.00 0.00 H ATOM 256 HZ2 LYS A 29 8.546 -15.635 16.932 1.00 0.00 H ATOM 257 HZ3 LYS A 29 9.916 -14.838 17.544 1.00 0.00 H ATOM 258 H LYS A 29 7.107 -11.149 12.375 1.00 0.00 H ATOM 259 N VAL A 30 6.810 -14.378 9.480 1.00 12.49 N ATOM 260 CA VAL A 30 5.734 -15.064 8.775 1.00 11.78 C ATOM 261 C VAL A 30 5.029 -15.990 9.807 1.00 13.35 C ATOM 262 O VAL A 30 5.632 -16.939 10.311 1.00 14.76 O ATOM 263 CB VAL A 30 6.292 -15.913 7.523 1.00 11.24 C ATOM 264 CG1 VAL A 30 5.214 -16.570 6.752 1.00 9.68 C ATOM 265 CG2 VAL A 30 7.075 -15.059 6.587 1.00 12.12 C ATOM 266 H VAL A 30 7.755 -14.813 9.485 1.00 0.00 H ATOM 267 N ALA A 31 3.757 -15.722 10.096 1.00 13.82 N ATOM 268 CA ALA A 31 2.933 -16.522 11.004 1.00 14.04 C ATOM 269 C ALA A 31 2.856 -17.977 10.573 1.00 15.95 C ATOM 270 O ALA A 31 3.020 -18.280 9.404 1.00 17.55 O ATOM 271 CB ALA A 31 1.547 -15.896 11.135 1.00 12.21 C ATOM 272 H ALA A 31 3.321 -14.891 9.648 1.00 0.00 H ATOM 273 N GLU A 32 2.708 -18.891 11.538 1.00 18.13 N ATOM 274 CA GLU A 32 2.543 -20.315 11.279 1.00 19.65 C ATOM 275 C GLU A 32 1.120 -20.660 10.872 1.00 19.60 C ATOM 276 O GLU A 32 0.169 -20.161 11.468 1.00 18.71 O ATOM 277 CB GLU A 32 2.961 -21.117 12.524 1.00 22.18 C ATOM 278 CG GLU A 32 3.547 -22.558 12.278 1.00 26.33 C ATOM 279 CD GLU A 32 4.848 -22.629 11.429 1.00 34.19 C ATOM 280 OE1 GLU A 32 5.287 -23.775 11.107 1.00 41.56 O ATOM 281 OE2 GLU A 32 5.474 -21.592 11.086 1.00 36.07 O ATOM 282 H GLU A 32 2.711 -18.568 12.526 1.00 0.00 H ATOM 283 N GLU A 33 0.979 -21.453 9.802 1.00 20.79 N ATOM 284 CA GLU A 33 -0.287 -22.054 9.427 1.00 22.80 C ATOM 285 C GLU A 33 -0.926 -22.733 10.626 1.00 22.59 C ATOM 286 O GLU A 33 -0.219 -23.388 11.425 1.00 23.69 O ATOM 287 CB GLU A 33 -0.071 -23.100 8.339 1.00 23.95 C ATOM 288 CG GLU A 33 0.415 -22.468 7.056 1.00 32.14 C ATOM 289 CD GLU A 33 -0.600 -22.481 5.870 1.00 39.23 C ATOM 290 OE1 GLU A 33 -0.751 -21.416 5.174 1.00 39.17 O ATOM 291 OE2 GLU A 33 -1.204 -23.570 5.624 1.00 41.93 O ATOM 292 H GLU A 33 1.814 -21.647 9.214 1.00 0.00 H ATOM 293 N VAL A 34 -2.250 -22.594 10.764 1.00 21.47 N ATOM 294 CA VAL A 34 -2.983 -23.416 11.749 1.00 21.29 C ATOM 295 C VAL A 34 -3.409 -24.757 11.109 1.00 22.04 C ATOM 296 O VAL A 34 -3.610 -24.839 9.883 1.00 20.85 O ATOM 297 CB VAL A 34 -4.184 -22.663 12.427 1.00 20.40 C ATOM 298 CG1 VAL A 34 -3.845 -21.203 12.680 1.00 17.81 C ATOM 299 CG2 VAL A 34 -5.428 -22.791 11.591 1.00 20.19 C ATOM 300 H VAL A 34 -2.764 -21.906 10.177 1.00 0.00 H ATOM 301 N THR A 35 -3.531 -25.805 11.937 1.00 23.98 N ATOM 302 CA THR A 35 -4.047 -27.125 11.466 1.00 24.24 C ATOM 303 C THR A 35 -5.448 -27.395 12.033 1.00 23.60 C ATOM 304 O THR A 35 -5.749 -27.009 13.155 1.00 22.41 O ATOM 305 CB THR A 35 -3.055 -28.333 11.702 1.00 25.83 C ATOM 306 OG1 THR A 35 -3.198 -28.821 13.036 1.00 29.60 O ATOM 307 CG2 THR A 35 -1.590 -27.942 11.513 1.00 25.45 C ATOM 308 HG1 THR A 35 -2.989 -28.095 13.676 1.00 0.00 H ATOM 309 H THR A 35 -3.259 -25.695 12.935 1.00 0.00 H ATOM 310 N PHE A 36 -6.298 -28.012 11.201 1.00 23.63 N ATOM 311 CA PHE A 36 -7.654 -28.441 11.549 1.00 22.87 C ATOM 312 C PHE A 36 -7.743 -29.930 11.971 1.00 24.79 C ATOM 313 O PHE A 36 -7.096 -30.780 11.408 1.00 25.37 O ATOM 314 CB PHE A 36 -8.656 -28.105 10.420 1.00 21.32 C ATOM 315 CG PHE A 36 -8.824 -26.644 10.211 1.00 17.57 C ATOM 316 CD1 PHE A 36 -7.952 -25.945 9.351 1.00 15.55 C ATOM 317 CD2 PHE A 36 -9.775 -25.931 10.956 1.00 15.01 C ATOM 318 CE1 PHE A 36 -8.048 -24.532 9.190 1.00 14.83 C ATOM 319 CE2 PHE A 36 -9.908 -24.523 10.811 1.00 13.67 C ATOM 320 CZ PHE A 36 -9.045 -23.820 9.924 1.00 16.13 C ATOM 321 H PHE A 36 -5.969 -28.201 10.233 1.00 0.00 H ATOM 322 N PRO A 37 -8.569 -30.239 12.980 1.00 25.94 N ATOM 323 CA PRO A 37 -9.465 -29.316 13.718 1.00 24.07 C ATOM 324 C PRO A 37 -8.675 -28.388 14.608 1.00 23.12 C ATOM 325 O PRO A 37 -7.532 -28.718 15.006 1.00 22.73 O ATOM 326 CB PRO A 37 -10.326 -30.259 14.565 1.00 26.12 C ATOM 327 CG PRO A 37 -10.098 -31.668 13.958 1.00 28.39 C ATOM 328 CD PRO A 37 -8.664 -31.620 13.479 1.00 27.73 C ATOM 329 N LEU A 38 -9.263 -27.226 14.898 1.00 21.79 N ATOM 330 CA LEU A 38 -8.587 -26.229 15.688 1.00 22.24 C ATOM 331 C LEU A 38 -8.462 -26.683 17.120 1.00 24.52 C ATOM 332 O LEU A 38 -9.414 -27.235 17.642 1.00 26.64 O ATOM 333 CB LEU A 38 -9.330 -24.890 15.695 1.00 20.02 C ATOM 334 CG LEU A 38 -9.376 -24.066 14.436 1.00 17.64 C ATOM 335 CD1 LEU A 38 -10.127 -22.814 14.714 1.00 10.77 C ATOM 336 CD2 LEU A 38 -7.940 -23.866 13.884 1.00 15.17 C ATOM 337 H LEU A 38 -10.224 -27.037 14.548 1.00 0.00 H ATOM 338 N SER A 39 -7.333 -26.384 17.773 1.00 25.68 N ATOM 339 CA SER A 39 -7.320 -26.427 19.210 1.00 28.06 C ATOM 340 C SER A 39 -8.407 -25.515 19.810 1.00 29.67 C ATOM 341 O SER A 39 -9.016 -24.698 19.098 1.00 28.67 O ATOM 342 CB SER A 39 -5.956 -26.100 19.755 1.00 27.81 C ATOM 343 OG SER A 39 -5.643 -24.769 19.575 1.00 26.92 O ATOM 344 HG SER A 39 -4.742 -24.590 19.944 1.00 0.00 H ATOM 345 H SER A 39 -6.475 -26.123 17.247 1.00 0.00 H ATOM 346 N GLU A 40 -8.665 -25.682 21.118 1.00 32.71 N ATOM 347 CA GLU A 40 -9.690 -24.914 21.830 1.00 34.14 C ATOM 348 C GLU A 40 -9.244 -23.466 21.850 1.00 30.34 C ATOM 349 O GLU A 40 -10.043 -22.585 21.610 1.00 29.60 O ATOM 350 CB GLU A 40 -9.898 -25.444 23.265 1.00 35.88 C ATOM 351 CG GLU A 40 -11.383 -25.360 23.791 1.00 41.11 C ATOM 352 CD GLU A 40 -11.493 -25.025 25.331 1.00 43.97 C ATOM 353 OE1 GLU A 40 -12.594 -24.564 25.798 1.00 52.79 O ATOM 354 OE2 GLU A 40 -10.479 -25.201 26.078 1.00 52.47 O ATOM 355 H GLU A 40 -8.113 -26.387 21.648 1.00 0.00 H ATOM 356 N LYS A 41 -7.953 -23.265 22.082 1.00 28.80 N ATOM 357 CA LYS A 41 -7.283 -21.973 22.121 1.00 27.75 C ATOM 358 C LYS A 41 -7.370 -21.124 20.847 1.00 26.23 C ATOM 359 O LYS A 41 -7.595 -19.905 20.907 1.00 25.61 O ATOM 360 CB LYS A 41 -5.805 -22.168 22.452 1.00 27.74 C ATOM 361 CG LYS A 41 -5.504 -22.477 23.885 1.00 29.70 C ATOM 362 CD LYS A 41 -4.087 -22.968 23.969 1.00 32.09 C ATOM 363 CE LYS A 41 -3.500 -22.671 25.292 1.00 36.67 C ATOM 364 NZ LYS A 41 -2.039 -22.998 25.236 1.00 42.25 N ATOM 365 HZ1 LYS A 41 -1.919 -24.006 25.008 1.00 0.00 H ATOM 366 HZ2 LYS A 41 -1.583 -22.419 24.503 1.00 0.00 H ATOM 367 HZ3 LYS A 41 -1.604 -22.796 26.159 1.00 0.00 H ATOM 368 H LYS A 41 -7.366 -24.107 22.251 1.00 0.00 H ATOM 369 N GLU A 42 -7.144 -21.759 19.709 1.00 25.65 N ATOM 370 CA GLU A 42 -7.132 -21.071 18.440 1.00 24.87 C ATOM 371 C GLU A 42 -8.534 -20.610 18.076 1.00 24.21 C ATOM 372 O GLU A 42 -8.738 -19.541 17.480 1.00 24.04 O ATOM 373 CB GLU A 42 -6.571 -22.012 17.373 1.00 25.40 C ATOM 374 CG GLU A 42 -5.081 -22.149 17.470 1.00 27.23 C ATOM 375 CD GLU A 42 -4.558 -23.258 16.597 1.00 32.56 C ATOM 376 OE1 GLU A 42 -5.280 -24.271 16.392 1.00 34.31 O ATOM 377 OE2 GLU A 42 -3.406 -23.140 16.135 1.00 35.32 O ATOM 378 H GLU A 42 -6.970 -22.784 19.729 1.00 0.00 H ATOM 379 N GLU A 43 -9.498 -21.436 18.435 1.00 24.31 N ATOM 380 CA GLU A 43 -10.886 -21.098 18.313 1.00 24.38 C ATOM 381 C GLU A 43 -11.308 -19.966 19.229 1.00 23.73 C ATOM 382 O GLU A 43 -12.005 -19.049 18.789 1.00 24.91 O ATOM 383 CB GLU A 43 -11.723 -22.330 18.604 1.00 25.95 C ATOM 384 CG GLU A 43 -13.175 -22.101 18.352 1.00 29.36 C ATOM 385 CD GLU A 43 -14.059 -23.160 18.987 1.00 39.39 C ATOM 386 OE1 GLU A 43 -15.282 -23.144 18.646 1.00 41.52 O ATOM 387 OE2 GLU A 43 -13.547 -24.000 19.808 1.00 43.11 O ATOM 388 H GLU A 43 -9.242 -22.367 18.821 1.00 0.00 H ATOM 389 N ILE A 44 -10.928 -20.031 20.504 1.00 23.52 N ATOM 390 CA ILE A 44 -11.278 -18.999 21.445 1.00 22.41 C ATOM 391 C ILE A 44 -10.544 -17.707 21.047 1.00 20.99 C ATOM 392 O ILE A 44 -11.145 -16.625 21.052 1.00 20.98 O ATOM 393 CB ILE A 44 -10.923 -19.387 22.900 1.00 24.67 C ATOM 394 CG1 ILE A 44 -11.795 -20.524 23.416 1.00 25.99 C ATOM 395 CG2 ILE A 44 -11.103 -18.178 23.878 1.00 25.37 C ATOM 396 CD1 ILE A 44 -11.225 -21.132 24.755 1.00 25.55 C ATOM 397 H ILE A 44 -10.366 -20.845 20.827 1.00 0.00 H ATOM 398 N LEU A 45 -9.263 -17.806 20.699 1.00 18.93 N ATOM 399 CA LEU A 45 -8.543 -16.628 20.184 1.00 17.65 C ATOM 400 C LEU A 45 -9.300 -15.877 19.045 1.00 16.27 C ATOM 401 O LEU A 45 -9.377 -14.676 19.045 1.00 16.64 O ATOM 402 CB LEU A 45 -7.113 -17.000 19.757 1.00 16.75 C ATOM 403 CG LEU A 45 -6.319 -15.788 19.248 1.00 15.25 C ATOM 404 CD1 LEU A 45 -6.128 -14.662 20.298 1.00 10.89 C ATOM 405 CD2 LEU A 45 -5.041 -16.260 18.676 1.00 9.71 C ATOM 406 H LEU A 45 -8.769 -18.717 20.791 1.00 0.00 H ATOM 407 N GLY A 46 -9.853 -16.593 18.077 1.00 16.34 N ATOM 408 CA GLY A 46 -10.610 -15.968 17.013 1.00 15.21 C ATOM 409 C GLY A 46 -11.835 -15.235 17.517 1.00 15.35 C ATOM 410 O GLY A 46 -12.140 -14.154 17.073 1.00 17.63 O ATOM 411 H GLY A 46 -9.741 -17.627 18.082 1.00 0.00 H ATOM 412 N GLU A 47 -12.549 -15.803 18.448 1.00 15.73 N ATOM 413 CA GLU A 47 -13.729 -15.163 19.022 1.00 16.20 C ATOM 414 C GLU A 47 -13.449 -13.926 19.829 1.00 15.29 C ATOM 415 O GLU A 47 -14.199 -12.985 19.768 1.00 16.06 O ATOM 416 CB GLU A 47 -14.426 -16.169 19.917 1.00 17.97 C ATOM 417 CG GLU A 47 -15.227 -17.124 19.134 1.00 22.26 C ATOM 418 CD GLU A 47 -15.430 -18.450 19.848 1.00 33.75 C ATOM 419 OE1 GLU A 47 -15.799 -19.428 19.151 1.00 36.97 O ATOM 420 OE2 GLU A 47 -15.248 -18.526 21.094 1.00 37.35 O ATOM 421 H GLU A 47 -12.269 -16.743 18.793 1.00 0.00 H ATOM 422 N LYS A 48 -12.376 -13.953 20.608 1.00 14.81 N ATOM 423 CA LYS A 48 -11.840 -12.809 21.292 1.00 14.70 C ATOM 424 C LYS A 48 -11.460 -11.624 20.375 1.00 14.03 C ATOM 425 O LYS A 48 -11.735 -10.449 20.704 1.00 11.99 O ATOM 426 CB LYS A 48 -10.587 -13.213 22.087 1.00 15.82 C ATOM 427 CG LYS A 48 -10.791 -14.283 23.172 1.00 18.98 C ATOM 428 CD LYS A 48 -11.712 -13.830 24.286 1.00 20.18 C ATOM 429 CE LYS A 48 -11.564 -14.756 25.473 1.00 22.32 C ATOM 430 NZ LYS A 48 -12.079 -14.095 26.619 1.00 25.02 N ATOM 431 HZ1 LYS A 48 -11.545 -13.218 26.781 1.00 0.00 H ATOM 432 HZ2 LYS A 48 -13.082 -13.868 26.465 1.00 0.00 H ATOM 433 HZ3 LYS A 48 -11.986 -14.717 27.447 1.00 0.00 H ATOM 434 H LYS A 48 -11.890 -14.864 20.732 1.00 0.00 H ATOM 435 N MET A 49 -10.764 -11.950 19.270 1.00 13.47 N ATOM 436 CA MET A 49 -10.304 -10.964 18.269 1.00 11.48 C ATOM 437 C MET A 49 -11.525 -10.280 17.665 1.00 11.12 C ATOM 438 O MET A 49 -11.606 -9.043 17.663 1.00 11.58 O ATOM 439 CB MET A 49 -9.481 -11.680 17.204 1.00 11.53 C ATOM 440 CG MET A 49 -8.054 -12.069 17.649 1.00 9.08 C ATOM 441 SD MET A 49 -7.250 -13.140 16.435 1.00 10.44 S ATOM 442 CE MET A 49 -7.090 -12.067 15.023 1.00 6.43 C ATOM 443 H MET A 49 -10.537 -12.952 19.111 1.00 0.00 H ATOM 444 N MET A 50 -12.513 -11.081 17.250 1.00 10.39 N ATOM 445 CA MET A 50 -13.791 -10.564 16.794 1.00 10.51 C ATOM 446 C MET A 50 -14.529 -9.742 17.862 1.00 12.37 C ATOM 447 O MET A 50 -15.126 -8.674 17.557 1.00 14.12 O ATOM 448 CB MET A 50 -14.682 -11.686 16.221 1.00 11.00 C ATOM 449 CG MET A 50 -16.051 -11.208 15.687 1.00 10.81 C ATOM 450 SD MET A 50 -15.877 -9.998 14.329 1.00 17.83 S ATOM 451 CE MET A 50 -15.398 -11.018 12.943 1.00 13.36 C ATOM 452 H MET A 50 -12.360 -12.110 17.254 1.00 0.00 H ATOM 453 N GLN A 51 -14.509 -10.225 19.104 1.00 12.99 N ATOM 454 CA GLN A 51 -15.088 -9.477 20.207 1.00 14.63 C ATOM 455 C GLN A 51 -14.432 -8.080 20.396 1.00 14.40 C ATOM 456 O GLN A 51 -15.105 -7.045 20.583 1.00 15.06 O ATOM 457 CB GLN A 51 -15.015 -10.323 21.488 1.00 15.61 C ATOM 458 CG GLN A 51 -15.666 -9.622 22.645 1.00 18.04 C ATOM 459 CD GLN A 51 -15.464 -10.336 23.945 1.00 22.21 C ATOM 460 OE1 GLN A 51 -16.447 -10.538 24.685 1.00 26.10 O ATOM 461 NE2 GLN A 51 -14.219 -10.754 24.240 1.00 18.28 N ATOM 462 HE22 GLN A 51 -13.436 -10.557 23.585 1.00 0.00 H ATOM 463 HE21 GLN A 51 -14.040 -11.274 25.123 1.00 0.00 H ATOM 464 H GLN A 51 -14.072 -11.151 19.286 1.00 0.00 H ATOM 465 N PHE A 52 -13.112 -8.064 20.311 1.00 13.97 N ATOM 466 CA PHE A 52 -12.373 -6.840 20.290 1.00 14.03 C ATOM 467 C PHE A 52 -12.853 -5.866 19.191 1.00 13.21 C ATOM 468 O PHE A 52 -12.914 -4.653 19.421 1.00 14.55 O ATOM 469 CB PHE A 52 -10.867 -7.118 20.183 1.00 12.72 C ATOM 470 CG PHE A 52 -10.042 -5.866 19.970 1.00 17.22 C ATOM 471 CD1 PHE A 52 -9.786 -5.380 18.647 1.00 15.07 C ATOM 472 CD2 PHE A 52 -9.565 -5.136 21.062 1.00 15.55 C ATOM 473 CE1 PHE A 52 -9.063 -4.258 18.438 1.00 12.42 C ATOM 474 CE2 PHE A 52 -8.835 -3.997 20.857 1.00 15.17 C ATOM 475 CZ PHE A 52 -8.582 -3.540 19.540 1.00 15.20 C ATOM 476 H PHE A 52 -12.598 -8.966 20.258 1.00 0.00 H ATOM 477 N LEU A 53 -13.152 -6.345 17.992 1.00 11.89 N ATOM 478 CA LEU A 53 -13.479 -5.391 16.957 1.00 11.13 C ATOM 479 C LEU A 53 -14.855 -4.842 17.141 1.00 12.67 C ATOM 480 O LEU A 53 -15.082 -3.660 16.926 1.00 13.51 O ATOM 481 CB LEU A 53 -13.337 -6.002 15.573 1.00 10.92 C ATOM 482 CG LEU A 53 -11.917 -6.360 15.166 1.00 7.08 C ATOM 483 CD1 LEU A 53 -12.023 -7.302 13.953 1.00 4.64 C ATOM 484 CD2 LEU A 53 -11.143 -5.078 14.918 1.00 3.46 C ATOM 485 H LEU A 53 -13.151 -7.368 17.803 1.00 0.00 H ATOM 486 N LYS A 54 -15.781 -5.713 17.531 1.00 14.65 N ATOM 487 CA LYS A 54 -17.128 -5.308 17.991 1.00 16.35 C ATOM 488 C LYS A 54 -17.024 -4.305 19.083 1.00 16.46 C ATOM 489 O LYS A 54 -17.602 -3.282 18.965 1.00 18.55 O ATOM 490 CB LYS A 54 -17.958 -6.502 18.482 1.00 16.70 C ATOM 491 CG LYS A 54 -18.190 -7.560 17.419 1.00 18.29 C ATOM 492 CD LYS A 54 -19.558 -7.478 16.832 1.00 26.13 C ATOM 493 CE LYS A 54 -19.775 -8.583 15.810 1.00 30.60 C ATOM 494 NZ LYS A 54 -21.233 -8.656 15.483 1.00 38.77 N ATOM 495 HZ1 LYS A 54 -21.771 -8.864 16.348 1.00 0.00 H ATOM 496 HZ2 LYS A 54 -21.545 -7.745 15.090 1.00 0.00 H ATOM 497 HZ3 LYS A 54 -21.393 -9.409 14.784 1.00 0.00 H ATOM 498 H LYS A 54 -15.548 -6.726 17.512 1.00 0.00 H ATOM 499 N HIS A 55 -16.275 -4.587 20.142 1.00 16.58 N ATOM 500 CA HIS A 55 -16.134 -3.605 21.223 1.00 17.27 C ATOM 501 C HIS A 55 -15.637 -2.246 20.771 1.00 18.20 C ATOM 502 O HIS A 55 -16.163 -1.236 21.206 1.00 19.14 O ATOM 503 CB HIS A 55 -15.285 -4.117 22.389 1.00 16.37 C ATOM 504 CG HIS A 55 -15.942 -5.207 23.192 1.00 15.80 C ATOM 505 ND1 HIS A 55 -15.230 -6.079 23.998 1.00 17.44 N ATOM 506 CD2 HIS A 55 -17.232 -5.604 23.270 1.00 14.06 C ATOM 507 CE1 HIS A 55 -16.054 -6.944 24.563 1.00 14.37 C ATOM 508 NE2 HIS A 55 -17.281 -6.669 24.148 1.00 13.42 N ATOM 509 H HIS A 55 -15.788 -5.504 20.205 1.00 0.00 H ATOM 510 N SER A 56 -14.585 -2.232 19.953 1.00 18.96 N ATOM 511 CA SER A 56 -13.941 -1.024 19.401 1.00 19.76 C ATOM 512 C SER A 56 -14.882 -0.133 18.553 1.00 22.21 C ATOM 513 O SER A 56 -14.699 1.082 18.452 1.00 22.56 O ATOM 514 CB SER A 56 -12.733 -1.468 18.560 1.00 18.78 C ATOM 515 OG SER A 56 -13.143 -1.732 17.230 1.00 14.40 O ATOM 516 HG SER A 56 -13.823 -2.452 17.232 1.00 0.00 H ATOM 517 H SER A 56 -14.183 -3.152 19.680 1.00 0.00 H ATOM 518 N GLN A 57 -15.910 -0.747 17.972 1.00 24.46 N ATOM 519 CA GLN A 57 -16.931 -0.045 17.213 1.00 26.90 C ATOM 520 C GLN A 57 -18.201 0.306 18.023 1.00 31.44 C ATOM 521 O GLN A 57 -19.122 0.981 17.494 1.00 33.16 O ATOM 522 CB GLN A 57 -17.301 -0.887 15.994 1.00 25.37 C ATOM 523 CG GLN A 57 -16.169 -0.988 14.968 1.00 20.60 C ATOM 524 CD GLN A 57 -16.508 -1.914 13.859 1.00 17.52 C ATOM 525 OE1 GLN A 57 -17.666 -2.303 13.716 1.00 19.08 O ATOM 526 NE2 GLN A 57 -15.509 -2.311 13.072 1.00 13.15 N ATOM 527 HE22 GLN A 57 -14.546 -1.953 13.234 1.00 0.00 H ATOM 528 HE21 GLN A 57 -15.692 -2.979 12.296 1.00 0.00 H ATOM 529 H GLN A 57 -15.986 -1.780 18.066 1.00 0.00 H ATOM 530 N ASP A 58 -18.269 -0.163 19.275 1.00 33.41 N ATOM 531 CA ASP A 58 -19.382 0.136 20.171 1.00 36.94 C ATOM 532 C ASP A 58 -18.990 1.366 20.982 1.00 38.97 C ATOM 533 O ASP A 58 -17.954 1.324 21.671 1.00 38.32 O ATOM 534 CB ASP A 58 -19.623 -1.056 21.096 1.00 37.66 C ATOM 535 CG ASP A 58 -20.830 -0.884 21.989 1.00 42.66 C ATOM 536 OD1 ASP A 58 -20.791 -1.350 23.152 1.00 46.94 O ATOM 537 OD2 ASP A 58 -21.834 -0.299 21.550 1.00 49.04 O ATOM 538 H ASP A 58 -17.497 -0.766 19.624 1.00 0.00 H ATOM 539 N PRO A 59 -19.822 2.456 20.943 1.00 41.30 N ATOM 540 CA PRO A 59 -19.355 3.728 21.586 1.00 42.26 C ATOM 541 C PRO A 59 -19.053 3.533 23.091 1.00 42.03 C ATOM 542 O PRO A 59 -18.004 3.957 23.578 1.00 41.93 O ATOM 543 CB PRO A 59 -20.522 4.716 21.341 1.00 44.12 C ATOM 544 CG PRO A 59 -21.378 4.061 20.222 1.00 43.40 C ATOM 545 CD PRO A 59 -21.203 2.581 20.388 1.00 41.75 C ATOM 546 N ILE A 60 -19.951 2.821 23.773 1.00 41.99 N ATOM 547 CA ILE A 60 -19.819 2.451 25.199 1.00 42.30 C ATOM 548 C ILE A 60 -18.617 1.552 25.577 1.00 39.02 C ATOM 549 O ILE A 60 -17.877 1.865 26.519 1.00 39.32 O ATOM 550 CB ILE A 60 -21.173 1.887 25.740 1.00 42.81 C ATOM 551 CG1 ILE A 60 -22.170 3.046 25.786 1.00 45.97 C ATOM 552 CG2 ILE A 60 -21.025 1.241 27.127 1.00 42.63 C ATOM 553 CD1 ILE A 60 -23.484 2.776 26.640 1.00 49.42 C ATOM 554 H ILE A 60 -20.803 2.504 23.267 1.00 0.00 H ATOM 555 N MET A 61 -18.431 0.452 24.855 1.00 35.65 N ATOM 556 CA MET A 61 -17.341 -0.451 25.189 1.00 33.78 C ATOM 557 C MET A 61 -15.971 0.109 24.786 1.00 32.57 C ATOM 558 O MET A 61 -14.974 -0.127 25.474 1.00 32.24 O ATOM 559 CB MET A 61 -17.603 -1.856 24.657 1.00 32.70 C ATOM 560 CG MET A 61 -18.759 -2.589 25.383 1.00 32.64 C ATOM 561 SD MET A 61 -18.423 -3.110 27.113 1.00 35.65 S ATOM 562 CE MET A 61 -16.762 -3.785 27.187 1.00 26.55 C ATOM 563 H MET A 61 -19.061 0.238 24.056 1.00 0.00 H ATOM 564 N ALA A 62 -15.943 0.901 23.713 1.00 31.76 N ATOM 565 CA ALA A 62 -14.736 1.533 23.265 1.00 30.71 C ATOM 566 C ALA A 62 -14.284 2.476 24.369 1.00 32.45 C ATOM 567 O ALA A 62 -13.109 2.487 24.755 1.00 31.00 O ATOM 568 CB ALA A 62 -14.951 2.275 21.915 1.00 29.60 C ATOM 569 H ALA A 62 -16.824 1.065 23.185 1.00 0.00 H ATOM 570 N GLU A 63 -15.241 3.243 24.887 1.00 34.93 N ATOM 571 CA GLU A 63 -14.996 4.107 26.051 1.00 38.25 C ATOM 572 C GLU A 63 -14.702 3.337 27.370 1.00 37.18 C ATOM 573 O GLU A 63 -13.750 3.671 28.016 1.00 38.76 O ATOM 574 CB GLU A 63 -16.079 5.204 26.183 1.00 40.87 C ATOM 575 CG GLU A 63 -15.637 6.583 25.672 1.00 47.50 C ATOM 576 CD GLU A 63 -14.696 7.295 26.686 1.00 59.11 C ATOM 577 OE1 GLU A 63 -15.157 7.717 27.761 1.00 67.20 O ATOM 578 OE2 GLU A 63 -13.485 7.453 26.443 1.00 62.19 O ATOM 579 H GLU A 63 -16.188 3.231 24.457 1.00 0.00 H ATOM 580 N LYS A 64 -15.456 2.296 27.740 1.00 35.57 N ATOM 581 CA LYS A 64 -15.047 1.440 28.868 1.00 35.52 C ATOM 582 C LYS A 64 -13.647 0.852 28.770 1.00 35.18 C ATOM 583 O LYS A 64 -12.916 0.815 29.783 1.00 35.57 O ATOM 584 CB LYS A 64 -16.015 0.305 29.139 1.00 34.58 C ATOM 585 CG LYS A 64 -17.250 0.737 29.860 1.00 36.50 C ATOM 586 CD LYS A 64 -18.191 -0.391 30.102 1.00 33.47 C ATOM 587 CE LYS A 64 -19.448 0.190 30.722 1.00 36.74 C ATOM 588 NZ LYS A 64 -20.369 -0.882 31.247 1.00 36.85 N ATOM 589 HZ1 LYS A 64 -20.652 -1.508 30.466 1.00 0.00 H ATOM 590 HZ2 LYS A 64 -19.874 -1.436 31.975 1.00 0.00 H ATOM 591 HZ3 LYS A 64 -21.214 -0.439 31.661 1.00 0.00 H ATOM 592 H LYS A 64 -16.337 2.089 27.228 1.00 0.00 H ATOM 593 N LEU A 65 -13.257 0.397 27.571 1.00 33.83 N ATOM 594 CA LEU A 65 -11.986 -0.312 27.447 1.00 32.77 C ATOM 595 C LEU A 65 -10.807 0.534 27.003 1.00 32.37 C ATOM 596 O LEU A 65 -9.659 0.048 27.056 1.00 32.03 O ATOM 597 CB LEU A 65 -12.122 -1.575 26.596 1.00 31.13 C ATOM 598 CG LEU A 65 -12.998 -2.694 27.199 1.00 33.41 C ATOM 599 CD1 LEU A 65 -13.252 -3.762 26.168 1.00 29.56 C ATOM 600 CD2 LEU A 65 -12.451 -3.304 28.514 1.00 32.54 C ATOM 601 H LEU A 65 -13.856 0.548 26.734 1.00 0.00 H ATOM 602 N GLY A 66 -11.065 1.765 26.568 1.00 32.22 N ATOM 603 CA GLY A 66 -10.000 2.626 26.036 1.00 33.83 C ATOM 604 C GLY A 66 -9.552 2.258 24.627 1.00 33.28 C ATOM 605 O GLY A 66 -8.409 2.401 24.261 1.00 32.12 O ATOM 606 H GLY A 66 -12.040 2.125 26.605 1.00 0.00 H ATOM 607 N LEU A 67 -10.505 1.797 23.835 1.00 34.75 N ATOM 608 CA LEU A 67 -10.260 1.188 22.537 1.00 35.17 C ATOM 609 C LEU A 67 -10.459 2.183 21.402 1.00 37.20 C ATOM 610 O LEU A 67 -11.477 2.886 21.335 1.00 38.34 O ATOM 611 CB LEU A 67 -11.262 0.060 22.345 1.00 33.56 C ATOM 612 CG LEU A 67 -10.852 -1.371 22.627 1.00 30.61 C ATOM 613 CD1 LEU A 67 -9.867 -1.504 23.772 1.00 29.08 C ATOM 614 CD2 LEU A 67 -12.119 -2.110 22.865 1.00 24.76 C ATOM 615 H LEU A 67 -11.490 1.875 24.160 1.00 0.00 H ATOM 616 N ARG A 68 -9.511 2.197 20.476 1.00 38.73 N ATOM 617 CA ARG A 68 -9.693 2.992 19.271 1.00 41.01 C ATOM 618 C ARG A 68 -10.416 2.155 18.200 1.00 39.06 C ATOM 619 O ARG A 68 -10.015 0.992 17.973 1.00 38.55 O ATOM 620 CB ARG A 68 -8.329 3.545 18.769 1.00 42.04 C ATOM 621 CG ARG A 68 -7.119 2.611 18.847 1.00 41.52 C ATOM 622 CD ARG A 68 -5.839 3.314 18.277 1.00 42.89 C ATOM 623 NE ARG A 68 -5.842 3.565 16.811 1.00 49.29 N ATOM 624 CZ ARG A 68 -4.729 3.612 16.036 1.00 50.87 C ATOM 625 NH1 ARG A 68 -3.504 3.422 16.577 1.00 48.67 N ATOM 626 NH2 ARG A 68 -4.820 3.837 14.710 1.00 48.85 N ATOM 627 HE ARG A 68 -6.761 3.715 16.348 1.00 0.00 H ATOM 628 HH12 ARG A 68 -2.658 3.460 15.974 1.00 0.00 H ATOM 629 HH11 ARG A 68 -3.408 3.238 17.596 1.00 0.00 H ATOM 630 HH22 ARG A 68 -3.959 3.870 14.128 1.00 0.00 H ATOM 631 HH21 ARG A 68 -5.751 3.977 14.269 1.00 0.00 H ATOM 632 H ARG A 68 -8.641 1.643 20.610 1.00 0.00 H ATOM 633 N GLY A 69 -11.485 2.733 17.618 1.00 38.64 N ATOM 634 CA GLY A 69 -12.225 2.213 16.424 1.00 35.93 C ATOM 635 C GLY A 69 -11.311 1.398 15.509 1.00 33.81 C ATOM 636 O GLY A 69 -10.128 1.763 15.302 1.00 35.17 O ATOM 637 H GLY A 69 -11.828 3.621 18.036 1.00 0.00 H ATOM 638 N GLY A 70 -11.804 0.260 14.999 1.00 30.74 N ATOM 639 CA GLY A 70 -10.936 -0.686 14.263 1.00 25.04 C ATOM 640 C GLY A 70 -11.798 -1.576 13.401 1.00 21.36 C ATOM 641 O GLY A 70 -12.931 -1.879 13.775 1.00 21.15 O ATOM 642 H GLY A 70 -12.813 0.039 15.123 1.00 0.00 H ATOM 643 N VAL A 71 -11.267 -2.028 12.266 1.00 18.04 N ATOM 644 CA VAL A 71 -12.011 -2.949 11.375 1.00 15.26 C ATOM 645 C VAL A 71 -11.318 -4.288 11.083 1.00 13.47 C ATOM 646 O VAL A 71 -11.877 -5.192 10.442 1.00 13.62 O ATOM 647 CB VAL A 71 -12.443 -2.249 10.056 1.00 15.02 C ATOM 648 CG1 VAL A 71 -13.502 -1.152 10.334 1.00 12.60 C ATOM 649 CG2 VAL A 71 -11.191 -1.696 9.311 1.00 16.49 C ATOM 650 H VAL A 71 -10.308 -1.727 11.999 1.00 0.00 H ATOM 651 N GLY A 72 -10.086 -4.419 11.535 1.00 12.06 N ATOM 652 CA GLY A 72 -9.367 -5.675 11.356 1.00 9.85 C ATOM 653 C GLY A 72 -8.374 -5.837 12.486 1.00 9.84 C ATOM 654 O GLY A 72 -7.951 -4.826 13.072 1.00 8.77 O ATOM 655 H GLY A 72 -9.625 -3.623 12.021 1.00 0.00 H ATOM 656 N LEU A 73 -8.000 -7.096 12.764 1.00 8.73 N ATOM 657 CA LEU A 73 -6.958 -7.441 13.753 1.00 9.03 C ATOM 658 C LEU A 73 -6.291 -8.783 13.358 1.00 8.80 C ATOM 659 O LEU A 73 -6.983 -9.735 12.972 1.00 9.81 O ATOM 660 CB LEU A 73 -7.584 -7.571 15.139 1.00 8.93 C ATOM 661 CG LEU A 73 -6.683 -7.856 16.315 1.00 9.08 C ATOM 662 CD1 LEU A 73 -5.714 -6.654 16.636 1.00 8.89 C ATOM 663 CD2 LEU A 73 -7.575 -8.178 17.485 1.00 11.48 C ATOM 664 H LEU A 73 -8.470 -7.872 12.255 1.00 0.00 H ATOM 665 N ALA A 74 -4.975 -8.868 13.427 1.00 8.55 N ATOM 666 CA ALA A 74 -4.272 -10.109 13.065 1.00 8.74 C ATOM 667 C ALA A 74 -3.653 -10.671 14.330 1.00 9.22 C ATOM 668 O ALA A 74 -3.371 -9.929 15.225 1.00 9.22 O ATOM 669 CB ALA A 74 -3.211 -9.844 12.027 1.00 7.83 C ATOM 670 H ALA A 74 -4.426 -8.043 13.743 1.00 0.00 H ATOM 671 N ALA A 75 -3.449 -11.991 14.424 1.00 10.11 N ATOM 672 CA ALA A 75 -3.005 -12.559 15.683 1.00 9.52 C ATOM 673 C ALA A 75 -1.541 -12.127 15.974 1.00 10.33 C ATOM 674 O ALA A 75 -1.164 -11.970 17.136 1.00 12.48 O ATOM 675 CB ALA A 75 -3.214 -14.082 15.711 1.00 8.77 C ATOM 676 H ALA A 75 -3.608 -12.605 13.600 1.00 0.00 H ATOM 677 N PRO A 76 -0.695 -11.952 14.931 1.00 9.83 N ATOM 678 CA PRO A 76 0.639 -11.364 15.215 1.00 9.87 C ATOM 679 C PRO A 76 0.633 -10.077 16.088 1.00 11.61 C ATOM 680 O PRO A 76 1.575 -9.812 16.848 1.00 12.19 O ATOM 681 CB PRO A 76 1.203 -11.137 13.826 1.00 9.50 C ATOM 682 CG PRO A 76 0.545 -12.271 12.981 1.00 8.27 C ATOM 683 CD PRO A 76 -0.841 -12.367 13.514 1.00 8.04 C ATOM 684 N GLN A 77 -0.454 -9.323 16.045 1.00 11.99 N ATOM 685 CA GLN A 77 -0.554 -8.057 16.756 1.00 12.72 C ATOM 686 C GLN A 77 -0.757 -8.282 18.257 1.00 13.74 C ATOM 687 O GLN A 77 -0.544 -7.388 19.057 1.00 14.78 O ATOM 688 CB GLN A 77 -1.702 -7.254 16.151 1.00 12.31 C ATOM 689 CG GLN A 77 -1.402 -6.664 14.780 1.00 10.88 C ATOM 690 CD GLN A 77 -2.553 -5.801 14.264 1.00 11.71 C ATOM 691 OE1 GLN A 77 -3.605 -6.305 13.822 1.00 11.90 O ATOM 692 NE2 GLN A 77 -2.370 -4.495 14.330 1.00 11.31 N ATOM 693 HE22 GLN A 77 -1.478 -4.113 14.705 1.00 0.00 H ATOM 694 HE21 GLN A 77 -3.118 -3.848 14.007 1.00 0.00 H ATOM 695 H GLN A 77 -1.266 -9.647 15.482 1.00 0.00 H ATOM 696 N LEU A 78 -1.157 -9.499 18.618 1.00 13.58 N ATOM 697 CA LEU A 78 -1.374 -9.887 19.972 1.00 14.54 C ATOM 698 C LEU A 78 -0.191 -10.749 20.457 1.00 16.90 C ATOM 699 O LEU A 78 -0.307 -11.433 21.457 1.00 18.37 O ATOM 700 CB LEU A 78 -2.689 -10.686 20.062 1.00 13.68 C ATOM 701 CG LEU A 78 -4.011 -9.980 19.663 1.00 11.00 C ATOM 702 CD1 LEU A 78 -5.139 -11.011 19.435 1.00 8.43 C ATOM 703 CD2 LEU A 78 -4.396 -8.995 20.750 1.00 8.04 C ATOM 704 H LEU A 78 -1.320 -10.205 17.872 1.00 0.00 H ATOM 705 N ASP A 79 0.906 -10.756 19.701 1.00 17.55 N ATOM 706 CA ASP A 79 2.082 -11.599 19.953 1.00 19.75 C ATOM 707 C ASP A 79 1.876 -13.090 19.670 1.00 19.36 C ATOM 708 O ASP A 79 2.545 -13.922 20.282 1.00 20.36 O ATOM 709 CB ASP A 79 2.609 -11.412 21.390 1.00 21.36 C ATOM 710 CG ASP A 79 4.112 -11.401 21.456 1.00 25.62 C ATOM 711 OD1 ASP A 79 4.840 -11.103 20.445 1.00 28.06 O ATOM 712 OD2 ASP A 79 4.595 -11.667 22.565 1.00 30.72 O ATOM 713 H ASP A 79 0.931 -10.122 18.877 1.00 0.00 H ATOM 714 N ILE A 80 0.942 -13.429 18.771 1.00 18.54 N ATOM 715 CA ILE A 80 0.602 -14.821 18.485 1.00 17.98 C ATOM 716 C ILE A 80 0.913 -15.047 17.031 1.00 16.50 C ATOM 717 O ILE A 80 0.201 -14.553 16.174 1.00 16.49 O ATOM 718 CB ILE A 80 -0.928 -15.163 18.762 1.00 18.38 C ATOM 719 CG1 ILE A 80 -1.390 -14.804 20.163 1.00 18.19 C ATOM 720 CG2 ILE A 80 -1.226 -16.653 18.540 1.00 18.22 C ATOM 721 CD1 ILE A 80 -0.631 -15.508 21.209 1.00 23.86 C ATOM 722 H ILE A 80 0.441 -12.675 18.259 1.00 0.00 H ATOM 723 N SER A 81 1.959 -15.803 16.741 1.00 16.39 N ATOM 724 CA SER A 81 2.397 -16.043 15.346 1.00 14.38 C ATOM 725 C SER A 81 1.646 -17.145 14.617 1.00 12.21 C ATOM 726 O SER A 81 2.242 -18.112 14.214 1.00 12.04 O ATOM 727 CB SER A 81 3.908 -16.343 15.286 1.00 15.44 C ATOM 728 OG SER A 81 4.535 -15.690 14.182 1.00 15.40 O ATOM 729 HG SER A 81 4.415 -14.711 14.268 1.00 0.00 H ATOM 730 H SER A 81 2.492 -16.244 17.518 1.00 0.00 H ATOM 731 N LYS A 82 0.352 -16.950 14.428 1.00 10.58 N ATOM 732 CA LYS A 82 -0.521 -17.844 13.719 1.00 10.38 C ATOM 733 C LYS A 82 -1.262 -17.088 12.634 1.00 9.11 C ATOM 734 O LYS A 82 -1.481 -15.907 12.745 1.00 9.43 O ATOM 735 CB LYS A 82 -1.521 -18.485 14.669 1.00 11.00 C ATOM 736 CG LYS A 82 -0.837 -19.160 15.820 1.00 16.73 C ATOM 737 CD LYS A 82 -1.608 -20.387 16.304 1.00 29.33 C ATOM 738 CE LYS A 82 -0.893 -21.120 17.467 1.00 32.44 C ATOM 739 NZ LYS A 82 -1.696 -22.314 17.864 1.00 35.75 N ATOM 740 HZ1 LYS A 82 -2.641 -22.008 18.173 1.00 0.00 H ATOM 741 HZ2 LYS A 82 -1.787 -22.955 17.050 1.00 0.00 H ATOM 742 HZ3 LYS A 82 -1.218 -22.808 18.645 1.00 0.00 H ATOM 743 H LYS A 82 -0.066 -16.083 14.823 1.00 0.00 H ATOM 744 N ARG A 83 -1.646 -17.798 11.574 1.00 8.66 N ATOM 745 CA ARG A 83 -2.325 -17.231 10.429 1.00 6.74 C ATOM 746 C ARG A 83 -3.849 -17.126 10.718 1.00 7.16 C ATOM 747 O ARG A 83 -4.701 -17.927 10.227 1.00 5.51 O ATOM 748 CB ARG A 83 -1.963 -18.057 9.186 1.00 6.44 C ATOM 749 CG ARG A 83 -0.490 -18.079 8.900 1.00 5.26 C ATOM 750 CD ARG A 83 -0.206 -18.787 7.578 1.00 5.88 C ATOM 751 NE ARG A 83 -0.418 -17.856 6.479 1.00 9.50 N ATOM 752 CZ ARG A 83 0.433 -16.871 6.162 1.00 7.82 C ATOM 753 NH1 ARG A 83 1.576 -16.702 6.844 1.00 5.13 N ATOM 754 NH2 ARG A 83 0.140 -16.074 5.154 1.00 8.12 N ATOM 755 HE ARG A 83 -1.280 -17.962 5.907 1.00 0.00 H ATOM 756 HH12 ARG A 83 2.227 -15.933 6.586 1.00 0.00 H ATOM 757 HH11 ARG A 83 1.811 -17.340 7.631 1.00 0.00 H ATOM 758 HH22 ARG A 83 0.789 -15.304 4.894 1.00 0.00 H ATOM 759 HH21 ARG A 83 -0.740 -16.215 4.619 1.00 0.00 H ATOM 760 H ARG A 83 -1.446 -18.819 11.569 1.00 0.00 H ATOM 761 N ILE A 84 -4.152 -16.144 11.586 1.00 8.25 N ATOM 762 CA ILE A 84 -5.522 -15.855 12.062 1.00 9.08 C ATOM 763 C ILE A 84 -5.797 -14.347 12.000 1.00 8.72 C ATOM 764 O ILE A 84 -5.105 -13.558 12.643 1.00 9.07 O ATOM 765 CB ILE A 84 -5.792 -16.333 13.493 1.00 9.58 C ATOM 766 CG1 ILE A 84 -5.386 -17.794 13.636 1.00 11.16 C ATOM 767 CG2 ILE A 84 -7.312 -16.272 13.808 1.00 10.13 C ATOM 768 CD1 ILE A 84 -5.249 -18.270 15.101 1.00 12.36 C ATOM 769 H ILE A 84 -3.376 -15.552 11.944 1.00 0.00 H ATOM 770 N ILE A 85 -6.813 -13.967 11.222 1.00 6.65 N ATOM 771 CA ILE A 85 -7.290 -12.608 11.219 1.00 5.43 C ATOM 772 C ILE A 85 -8.822 -12.533 11.481 1.00 5.99 C ATOM 773 O ILE A 85 -9.572 -13.487 11.189 1.00 5.67 O ATOM 774 CB ILE A 85 -6.916 -11.883 9.863 1.00 4.98 C ATOM 775 CG1 ILE A 85 -7.794 -12.379 8.701 1.00 2.85 C ATOM 776 CG2 ILE A 85 -5.402 -12.079 9.496 1.00 3.58 C ATOM 777 CD1 ILE A 85 -7.363 -11.881 7.345 1.00 4.98 C ATOM 778 H ILE A 85 -7.270 -14.668 10.604 1.00 0.00 H ATOM 779 N ALA A 86 -9.266 -11.383 12.000 1.00 6.07 N ATOM 780 CA ALA A 86 -10.690 -11.043 12.100 1.00 6.69 C ATOM 781 C ALA A 86 -10.914 -9.725 11.340 1.00 7.97 C ATOM 782 O ALA A 86 -10.055 -8.781 11.379 1.00 8.05 O ATOM 783 CB ALA A 86 -11.158 -10.941 13.562 1.00 5.30 C ATOM 784 H ALA A 86 -8.568 -10.696 12.350 1.00 0.00 H ATOM 785 N VAL A 87 -12.039 -9.671 10.616 1.00 8.56 N ATOM 786 CA VAL A 87 -12.407 -8.463 9.881 1.00 9.26 C ATOM 787 C VAL A 87 -13.850 -8.150 10.148 1.00 9.61 C ATOM 788 O VAL A 87 -14.702 -9.029 10.153 1.00 9.76 O ATOM 789 CB VAL A 87 -12.092 -8.558 8.351 1.00 9.38 C ATOM 790 CG1 VAL A 87 -10.562 -8.672 8.139 1.00 9.23 C ATOM 791 CG2 VAL A 87 -12.861 -9.739 7.706 1.00 9.85 C ATOM 792 H VAL A 87 -12.662 -10.503 10.576 1.00 0.00 H ATOM 793 N LEU A 88 -14.108 -6.885 10.410 1.00 10.86 N ATOM 794 CA LEU A 88 -15.430 -6.422 10.755 1.00 11.60 C ATOM 795 C LEU A 88 -15.583 -5.079 10.146 1.00 11.78 C ATOM 796 O LEU A 88 -15.243 -4.113 10.772 1.00 12.00 O ATOM 797 CB LEU A 88 -15.558 -6.261 12.270 1.00 11.45 C ATOM 798 CG LEU A 88 -16.997 -6.120 12.765 1.00 12.88 C ATOM 799 CD1 LEU A 88 -17.825 -7.294 12.322 1.00 9.97 C ATOM 800 CD2 LEU A 88 -17.091 -5.923 14.252 1.00 13.52 C ATOM 801 H LEU A 88 -13.331 -6.195 10.367 1.00 0.00 H ATOM 802 N VAL A 89 -16.097 -5.018 8.927 1.00 13.01 N ATOM 803 CA VAL A 89 -16.226 -3.735 8.205 1.00 14.88 C ATOM 804 C VAL A 89 -17.691 -3.270 8.192 1.00 16.90 C ATOM 805 O VAL A 89 -18.512 -3.908 7.543 1.00 17.27 O ATOM 806 CB VAL A 89 -15.726 -3.831 6.737 1.00 13.72 C ATOM 807 CG1 VAL A 89 -15.869 -2.510 6.043 1.00 13.90 C ATOM 808 CG2 VAL A 89 -14.316 -4.317 6.683 1.00 12.18 C ATOM 809 H VAL A 89 -16.418 -5.894 8.467 1.00 0.00 H ATOM 810 N PRO A 90 -18.018 -2.163 8.912 1.00 18.93 N ATOM 811 CA PRO A 90 -19.416 -1.770 9.001 1.00 20.79 C ATOM 812 C PRO A 90 -19.924 -1.041 7.773 1.00 22.53 C ATOM 813 O PRO A 90 -19.169 -0.385 7.013 1.00 21.90 O ATOM 814 CB PRO A 90 -19.446 -0.842 10.202 1.00 21.72 C ATOM 815 CG PRO A 90 -18.107 -0.168 10.139 1.00 21.50 C ATOM 816 CD PRO A 90 -17.148 -1.239 9.666 1.00 18.88 C ATOM 817 N ASN A 91 -21.229 -1.208 7.567 1.00 24.14 N ATOM 818 CA ASN A 91 -21.950 -0.398 6.615 1.00 25.17 C ATOM 819 C ASN A 91 -22.420 0.901 7.267 1.00 26.75 C ATOM 820 O ASN A 91 -22.634 0.964 8.475 1.00 26.34 O ATOM 821 CB ASN A 91 -23.127 -1.184 6.065 1.00 24.85 C ATOM 822 CG ASN A 91 -22.722 -2.131 4.980 1.00 21.41 C ATOM 823 OD1 ASN A 91 -23.305 -3.184 4.828 1.00 20.94 O ATOM 824 ND2 ASN A 91 -21.738 -1.765 4.229 1.00 17.96 N ATOM 825 HD22 ASN A 91 -21.268 -0.853 4.396 1.00 0.00 H ATOM 826 HD21 ASN A 91 -21.416 -2.382 3.457 1.00 0.00 H ATOM 827 H ASN A 91 -21.740 -1.938 8.104 1.00 0.00 H ATOM 828 N VAL A 92 -22.658 1.920 6.458 1.00 28.96 N ATOM 829 CA VAL A 92 -23.078 3.168 7.056 1.00 31.96 C ATOM 830 C VAL A 92 -24.591 3.489 6.921 1.00 33.32 C ATOM 831 O VAL A 92 -25.231 3.134 5.917 1.00 34.12 O ATOM 832 CB VAL A 92 -22.086 4.289 6.660 1.00 32.52 C ATOM 833 CG1 VAL A 92 -22.706 5.262 5.702 1.00 33.94 C ATOM 834 CG2 VAL A 92 -21.561 4.973 7.952 1.00 36.84 C ATOM 835 H VAL A 92 -22.547 1.827 5.428 1.00 0.00 H ATOM 836 N GLU A 93 -25.170 4.067 7.980 1.00 34.44 N ATOM 837 CA GLU A 93 -26.502 4.728 7.934 1.00 35.73 C ATOM 838 C GLU A 93 -26.673 5.690 6.734 1.00 35.69 C ATOM 839 O GLU A 93 -25.703 6.208 6.203 1.00 35.38 O ATOM 840 CB GLU A 93 -26.670 5.543 9.191 1.00 36.84 C ATOM 841 CG GLU A 93 -26.898 4.712 10.419 1.00 41.09 C ATOM 842 CD GLU A 93 -27.343 5.551 11.582 1.00 47.12 C ATOM 843 OE1 GLU A 93 -27.801 4.963 12.589 1.00 51.95 O ATOM 844 OE2 GLU A 93 -27.242 6.801 11.487 1.00 50.78 O ATOM 845 H GLU A 93 -24.660 4.053 8.886 1.00 0.00 H ATOM 846 N ASP A 94 -27.898 5.953 6.316 1.00 35.86 N ATOM 847 CA ASP A 94 -28.121 6.949 5.277 1.00 36.02 C ATOM 848 C ASP A 94 -28.318 8.385 5.859 1.00 37.87 C ATOM 849 O ASP A 94 -28.332 8.560 7.072 1.00 37.28 O ATOM 850 CB ASP A 94 -29.319 6.509 4.433 1.00 36.17 C ATOM 851 CG ASP A 94 -30.610 6.383 5.253 1.00 36.57 C ATOM 852 OD1 ASP A 94 -31.534 5.602 4.877 1.00 36.57 O ATOM 853 OD2 ASP A 94 -30.726 7.078 6.271 1.00 36.00 O ATOM 854 H ASP A 94 -28.707 5.447 6.730 1.00 0.00 H ATOM 855 N ALA A 95 -28.515 9.396 4.994 1.00 40.07 N ATOM 856 CA ALA A 95 -28.730 10.780 5.449 1.00 42.10 C ATOM 857 C ALA A 95 -29.935 10.921 6.352 1.00 44.14 C ATOM 858 O ALA A 95 -29.953 11.772 7.244 1.00 47.10 O ATOM 859 CB ALA A 95 -28.807 11.755 4.287 1.00 43.34 C ATOM 860 H ALA A 95 -28.515 9.194 3.974 1.00 0.00 H ATOM 861 N GLN A 96 -30.936 10.080 6.169 1.00 44.23 N ATOM 862 CA GLN A 96 -32.086 10.096 7.045 1.00 45.32 C ATOM 863 C GLN A 96 -31.816 9.427 8.441 1.00 43.87 C ATOM 864 O GLN A 96 -32.661 9.443 9.333 1.00 45.24 O ATOM 865 CB GLN A 96 -33.297 9.492 6.290 1.00 47.13 C ATOM 866 CG GLN A 96 -33.726 10.250 4.991 1.00 50.61 C ATOM 867 CD GLN A 96 -32.669 10.267 3.818 1.00 53.80 C ATOM 868 OE1 GLN A 96 -32.370 11.355 3.261 1.00 56.11 O ATOM 869 NE2 GLN A 96 -32.135 9.076 3.421 1.00 48.89 N ATOM 870 HE22 GLN A 96 -32.406 8.197 3.906 1.00 0.00 H ATOM 871 HE21 GLN A 96 -31.456 9.047 2.633 1.00 0.00 H ATOM 872 H GLN A 96 -30.897 9.398 5.385 1.00 0.00 H ATOM 873 N GLY A 97 -30.644 8.845 8.651 1.00 41.57 N ATOM 874 CA GLY A 97 -30.387 8.142 9.925 1.00 40.49 C ATOM 875 C GLY A 97 -30.819 6.668 10.017 1.00 39.36 C ATOM 876 O GLY A 97 -30.806 6.095 11.108 1.00 40.62 O ATOM 877 H GLY A 97 -29.906 8.883 7.920 1.00 0.00 H ATOM 878 N ASN A 98 -31.168 6.040 8.884 1.00 37.69 N ATOM 879 CA ASN A 98 -31.652 4.662 8.872 1.00 35.91 C ATOM 880 C ASN A 98 -30.515 3.702 8.787 1.00 33.53 C ATOM 881 O ASN A 98 -29.608 3.888 7.960 1.00 33.05 O ATOM 882 CB ASN A 98 -32.598 4.359 7.692 1.00 36.08 C ATOM 883 CG ASN A 98 -33.770 5.281 7.622 1.00 35.32 C ATOM 884 OD1 ASN A 98 -34.429 5.513 8.617 1.00 33.03 O ATOM 885 ND2 ASN A 98 -34.052 5.807 6.423 1.00 33.58 N ATOM 886 HD22 ASN A 98 -33.457 5.577 5.601 1.00 0.00 H ATOM 887 HD21 ASN A 98 -34.866 6.445 6.313 1.00 0.00 H ATOM 888 H ASN A 98 -31.091 6.553 7.982 1.00 0.00 H ATOM 889 N PRO A 99 -30.551 2.663 9.626 1.00 32.65 N ATOM 890 CA PRO A 99 -29.467 1.656 9.566 1.00 31.60 C ATOM 891 C PRO A 99 -29.385 1.016 8.159 1.00 31.04 C ATOM 892 O PRO A 99 -30.376 1.024 7.432 1.00 32.70 O ATOM 893 CB PRO A 99 -29.860 0.638 10.669 1.00 31.47 C ATOM 894 CG PRO A 99 -30.718 1.494 11.648 1.00 33.58 C ATOM 895 CD PRO A 99 -31.522 2.386 10.705 1.00 33.33 C ATOM 896 N PRO A 100 -28.205 0.532 7.747 1.00 29.11 N ATOM 897 CA PRO A 100 -28.149 -0.281 6.524 1.00 28.83 C ATOM 898 C PRO A 100 -28.862 -1.649 6.625 1.00 28.76 C ATOM 899 O PRO A 100 -29.082 -2.136 7.721 1.00 29.07 O ATOM 900 CB PRO A 100 -26.646 -0.432 6.288 1.00 27.81 C ATOM 901 CG PRO A 100 -26.044 -0.309 7.669 1.00 26.31 C ATOM 902 CD PRO A 100 -26.881 0.730 8.337 1.00 26.95 C ATOM 903 N LYS A 101 -29.262 -2.224 5.479 1.00 30.19 N ATOM 904 CA LYS A 101 -29.857 -3.558 5.375 1.00 30.99 C ATOM 905 C LYS A 101 -28.966 -4.577 6.049 1.00 30.17 C ATOM 906 O LYS A 101 -29.421 -5.343 6.908 1.00 31.32 O ATOM 907 CB LYS A 101 -29.988 -3.959 3.922 1.00 31.87 C ATOM 908 CG LYS A 101 -30.747 -2.992 3.056 1.00 37.24 C ATOM 909 CD LYS A 101 -30.655 -3.470 1.593 1.00 42.46 C ATOM 910 CE LYS A 101 -30.563 -2.298 0.611 1.00 43.97 C ATOM 911 NZ LYS A 101 -31.881 -2.069 0.036 1.00 45.77 N ATOM 912 HZ1 LYS A 101 -32.194 -2.926 -0.463 1.00 0.00 H ATOM 913 HZ2 LYS A 101 -32.555 -1.843 0.795 1.00 0.00 H ATOM 914 HZ3 LYS A 101 -31.833 -1.275 -0.634 1.00 0.00 H ATOM 915 H LYS A 101 -29.140 -1.681 4.600 1.00 0.00 H ATOM 916 N GLU A 102 -27.686 -4.556 5.649 1.00 28.43 N ATOM 917 CA GLU A 102 -26.580 -5.298 6.267 1.00 25.94 C ATOM 918 C GLU A 102 -25.837 -4.411 7.267 1.00 24.12 C ATOM 919 O GLU A 102 -25.343 -3.328 6.911 1.00 23.10 O ATOM 920 CB GLU A 102 -25.547 -5.660 5.185 1.00 27.02 C ATOM 921 CG GLU A 102 -26.076 -6.352 3.884 1.00 31.07 C ATOM 922 CD GLU A 102 -26.456 -7.714 4.251 1.00 33.33 C ATOM 923 OE1 GLU A 102 -26.903 -8.528 3.409 1.00 32.15 O ATOM 924 OE2 GLU A 102 -26.246 -7.938 5.468 1.00 36.62 O ATOM 925 H GLU A 102 -27.456 -3.961 4.828 1.00 0.00 H ATOM 926 N ALA A 103 -25.706 -4.887 8.503 1.00 22.20 N ATOM 927 CA ALA A 103 -24.895 -4.230 9.503 1.00 20.44 C ATOM 928 C ALA A 103 -23.400 -4.089 9.050 1.00 18.94 C ATOM 929 O ALA A 103 -22.754 -3.083 9.302 1.00 18.15 O ATOM 930 CB ALA A 103 -25.037 -4.959 10.856 1.00 20.04 C ATOM 931 H ALA A 103 -26.205 -5.763 8.758 1.00 0.00 H ATOM 932 N TYR A 104 -22.887 -5.081 8.333 1.00 18.21 N ATOM 933 CA TYR A 104 -21.475 -5.161 7.942 1.00 17.65 C ATOM 934 C TYR A 104 -21.358 -5.551 6.473 1.00 17.77 C ATOM 935 O TYR A 104 -22.119 -6.384 5.993 1.00 18.20 O ATOM 936 CB TYR A 104 -20.766 -6.245 8.814 1.00 15.92 C ATOM 937 CG TYR A 104 -20.898 -5.938 10.284 1.00 16.23 C ATOM 938 CD1 TYR A 104 -20.168 -4.895 10.876 1.00 15.26 C ATOM 939 CD2 TYR A 104 -21.785 -6.670 11.100 1.00 19.99 C ATOM 940 CE1 TYR A 104 -20.331 -4.600 12.198 1.00 14.84 C ATOM 941 CE2 TYR A 104 -21.940 -6.371 12.465 1.00 14.84 C ATOM 942 CZ TYR A 104 -21.218 -5.353 12.972 1.00 16.14 C ATOM 943 OH TYR A 104 -21.369 -5.073 14.282 1.00 20.01 O ATOM 944 HH TYR A 104 -20.787 -4.310 14.524 1.00 0.00 H ATOM 945 H TYR A 104 -23.523 -5.846 8.031 1.00 0.00 H ATOM 946 N SER A 105 -20.372 -5.010 5.764 1.00 17.55 N ATOM 947 CA SER A 105 -20.076 -5.518 4.410 1.00 17.20 C ATOM 948 C SER A 105 -19.159 -6.729 4.524 1.00 16.66 C ATOM 949 O SER A 105 -19.045 -7.557 3.620 1.00 17.18 O ATOM 950 CB SER A 105 -19.451 -4.434 3.520 1.00 17.74 C ATOM 951 OG SER A 105 -18.364 -3.794 4.170 1.00 16.11 O ATOM 952 HG SER A 105 -17.984 -3.103 3.572 1.00 0.00 H ATOM 953 H SER A 105 -19.810 -4.231 6.162 1.00 0.00 H ATOM 954 N LEU A 106 -18.504 -6.867 5.661 1.00 15.83 N ATOM 955 CA LEU A 106 -17.655 -8.023 5.886 1.00 14.58 C ATOM 956 C LEU A 106 -17.490 -8.229 7.372 1.00 13.68 C ATOM 957 O LEU A 106 -17.121 -7.330 8.100 1.00 13.74 O ATOM 958 CB LEU A 106 -16.277 -7.825 5.211 1.00 14.84 C ATOM 959 CG LEU A 106 -15.264 -8.970 5.103 1.00 12.82 C ATOM 960 CD1 LEU A 106 -15.711 -9.992 4.117 1.00 15.05 C ATOM 961 CD2 LEU A 106 -13.909 -8.376 4.732 1.00 12.53 C ATOM 962 H LEU A 106 -18.597 -6.142 6.401 1.00 0.00 H ATOM 963 N GLN A 107 -17.804 -9.434 7.785 1.00 13.84 N ATOM 964 CA GLN A 107 -17.665 -9.897 9.132 1.00 14.06 C ATOM 965 C GLN A 107 -17.166 -11.347 9.085 1.00 13.71 C ATOM 966 O GLN A 107 -17.930 -12.219 8.713 1.00 14.38 O ATOM 967 CB GLN A 107 -19.014 -9.875 9.837 1.00 14.45 C ATOM 968 CG GLN A 107 -18.869 -10.360 11.271 1.00 16.81 C ATOM 969 CD GLN A 107 -20.152 -10.399 12.048 1.00 22.84 C ATOM 970 OE1 GLN A 107 -21.244 -10.078 11.550 1.00 21.42 O ATOM 971 NE2 GLN A 107 -20.028 -10.805 13.308 1.00 27.46 N ATOM 972 HE22 GLN A 107 -19.092 -11.064 13.681 1.00 0.00 H ATOM 973 HE21 GLN A 107 -20.867 -10.864 13.920 1.00 0.00 H ATOM 974 H GLN A 107 -18.181 -10.101 7.082 1.00 0.00 H ATOM 975 N GLU A 108 -15.924 -11.603 9.515 1.00 13.33 N ATOM 976 CA GLU A 108 -15.321 -12.926 9.426 1.00 12.55 C ATOM 977 C GLU A 108 -14.081 -13.145 10.308 1.00 10.99 C ATOM 978 O GLU A 108 -13.219 -12.273 10.454 1.00 9.79 O ATOM 979 CB GLU A 108 -14.985 -13.225 7.945 1.00 13.82 C ATOM 980 CG GLU A 108 -14.697 -14.716 7.623 1.00 20.06 C ATOM 981 CD GLU A 108 -15.914 -15.604 7.871 1.00 29.29 C ATOM 982 OE1 GLU A 108 -15.956 -16.315 8.898 1.00 31.77 O ATOM 983 OE2 GLU A 108 -16.874 -15.507 7.073 1.00 36.83 O ATOM 984 H GLU A 108 -15.368 -10.827 9.929 1.00 0.00 H ATOM 985 N VAL A 109 -13.973 -14.348 10.869 1.00 10.90 N ATOM 986 CA VAL A 109 -12.674 -14.835 11.397 1.00 9.83 C ATOM 987 C VAL A 109 -12.060 -15.809 10.392 1.00 9.55 C ATOM 988 O VAL A 109 -12.670 -16.814 10.038 1.00 9.29 O ATOM 989 CB VAL A 109 -12.713 -15.386 12.855 1.00 10.12 C ATOM 990 CG1 VAL A 109 -11.320 -15.704 13.346 1.00 10.25 C ATOM 991 CG2 VAL A 109 -13.291 -14.333 13.812 1.00 10.77 C ATOM 992 H VAL A 109 -14.813 -14.957 10.938 1.00 0.00 H ATOM 993 N MET A 110 -10.878 -15.452 9.885 1.00 9.31 N ATOM 994 CA MET A 110 -10.245 -16.198 8.767 1.00 10.16 C ATOM 995 C MET A 110 -8.990 -16.912 9.225 1.00 9.02 C ATOM 996 O MET A 110 -8.139 -16.299 9.815 1.00 10.38 O ATOM 997 CB MET A 110 -9.903 -15.245 7.593 1.00 8.65 C ATOM 998 CG MET A 110 -11.093 -14.427 7.055 1.00 8.60 C ATOM 999 SD MET A 110 -10.621 -13.406 5.586 1.00 12.99 S ATOM 1000 CE MET A 110 -12.182 -12.660 5.169 1.00 9.68 C ATOM 1001 H MET A 110 -10.386 -14.627 10.284 1.00 0.00 H ATOM 1002 N TYR A 111 -8.909 -18.206 8.981 1.00 10.14 N ATOM 1003 CA TYR A 111 -7.730 -19.018 9.266 1.00 10.31 C ATOM 1004 C TYR A 111 -7.024 -19.315 7.966 1.00 10.57 C ATOM 1005 O TYR A 111 -7.651 -19.618 6.968 1.00 11.60 O ATOM 1006 CB TYR A 111 -8.087 -20.328 10.008 1.00 10.80 C ATOM 1007 CG TYR A 111 -8.721 -20.060 11.366 1.00 11.28 C ATOM 1008 CD1 TYR A 111 -7.938 -20.090 12.530 1.00 9.20 C ATOM 1009 CD2 TYR A 111 -10.078 -19.693 11.470 1.00 8.42 C ATOM 1010 CE1 TYR A 111 -8.478 -19.802 13.736 1.00 10.43 C ATOM 1011 CE2 TYR A 111 -10.643 -19.386 12.693 1.00 9.33 C ATOM 1012 CZ TYR A 111 -9.835 -19.470 13.825 1.00 10.86 C ATOM 1013 OH TYR A 111 -10.348 -19.212 15.059 1.00 12.85 O ATOM 1014 HH TYR A 111 -9.637 -19.319 15.740 1.00 0.00 H ATOM 1015 H TYR A 111 -9.736 -18.676 8.560 1.00 0.00 H ATOM 1016 N ASN A 112 -5.701 -19.223 7.989 1.00 10.58 N ATOM 1017 CA ASN A 112 -4.882 -19.403 6.793 1.00 10.00 C ATOM 1018 C ASN A 112 -5.388 -18.623 5.554 1.00 8.94 C ATOM 1019 O ASN A 112 -5.549 -19.173 4.493 1.00 8.64 O ATOM 1020 CB ASN A 112 -4.653 -20.894 6.518 1.00 9.61 C ATOM 1021 CG ASN A 112 -4.232 -21.650 7.733 1.00 10.57 C ATOM 1022 OD1 ASN A 112 -3.533 -21.151 8.658 1.00 11.48 O ATOM 1023 ND2 ASN A 112 -4.673 -22.871 7.771 1.00 10.50 N ATOM 1024 HD22 ASN A 112 -5.246 -23.242 6.986 1.00 0.00 H ATOM 1025 HD21 ASN A 112 -4.453 -23.478 8.586 1.00 0.00 H ATOM 1026 H ASN A 112 -5.229 -19.015 8.892 1.00 0.00 H ATOM 1027 N PRO A 113 -5.647 -17.330 5.717 1.00 9.15 N ATOM 1028 CA PRO A 113 -6.125 -16.656 4.524 1.00 9.12 C ATOM 1029 C PRO A 113 -5.005 -16.383 3.539 1.00 9.33 C ATOM 1030 O PRO A 113 -3.851 -16.224 3.920 1.00 10.46 O ATOM 1031 CB PRO A 113 -6.744 -15.357 5.078 1.00 7.57 C ATOM 1032 CG PRO A 113 -5.990 -15.074 6.373 1.00 7.63 C ATOM 1033 CD PRO A 113 -5.515 -16.412 6.893 1.00 9.73 C ATOM 1034 N LYS A 114 -5.323 -16.357 2.261 1.00 10.82 N ATOM 1035 CA LYS A 114 -4.329 -15.886 1.283 1.00 11.43 C ATOM 1036 C LYS A 114 -4.927 -15.201 0.053 1.00 10.61 C ATOM 1037 O LYS A 114 -6.070 -15.480 -0.309 1.00 11.01 O ATOM 1038 CB LYS A 114 -3.371 -17.033 0.896 1.00 13.45 C ATOM 1039 CG LYS A 114 -3.939 -18.197 0.156 1.00 14.57 C ATOM 1040 CD LYS A 114 -2.713 -18.988 -0.324 1.00 23.27 C ATOM 1041 CE LYS A 114 -3.137 -20.118 -1.321 1.00 32.63 C ATOM 1042 NZ LYS A 114 -3.134 -21.570 -0.834 1.00 35.00 N ATOM 1043 HZ1 LYS A 114 -2.174 -21.831 -0.532 1.00 0.00 H ATOM 1044 HZ2 LYS A 114 -3.789 -21.667 -0.032 1.00 0.00 H ATOM 1045 HZ3 LYS A 114 -3.437 -22.195 -1.608 1.00 0.00 H ATOM 1046 H LYS A 114 -6.265 -16.666 1.947 1.00 0.00 H ATOM 1047 N VAL A 115 -4.164 -14.320 -0.576 1.00 9.69 N ATOM 1048 CA VAL A 115 -4.499 -13.845 -1.931 1.00 9.21 C ATOM 1049 C VAL A 115 -4.063 -14.873 -2.985 1.00 9.63 C ATOM 1050 O VAL A 115 -2.875 -15.144 -3.147 1.00 8.99 O ATOM 1051 CB VAL A 115 -3.897 -12.438 -2.205 1.00 9.61 C ATOM 1052 CG1 VAL A 115 -4.358 -11.844 -3.594 1.00 8.50 C ATOM 1053 CG2 VAL A 115 -4.256 -11.449 -1.034 1.00 9.77 C ATOM 1054 H VAL A 115 -3.311 -13.956 -0.105 1.00 0.00 H ATOM 1055 N VAL A 116 -5.052 -15.476 -3.648 1.00 10.89 N ATOM 1056 CA VAL A 116 -4.869 -16.376 -4.805 1.00 11.63 C ATOM 1057 C VAL A 116 -4.850 -15.685 -6.202 1.00 12.65 C ATOM 1058 O VAL A 116 -4.227 -16.205 -7.111 1.00 12.63 O ATOM 1059 CB VAL A 116 -5.884 -17.583 -4.832 1.00 11.99 C ATOM 1060 CG1 VAL A 116 -5.567 -18.564 -3.656 1.00 8.95 C ATOM 1061 CG2 VAL A 116 -7.316 -17.109 -4.882 1.00 9.32 C ATOM 1062 H VAL A 116 -6.025 -15.299 -3.326 1.00 0.00 H ATOM 1063 N SER A 117 -5.507 -14.527 -6.359 1.00 12.47 N ATOM 1064 CA SER A 117 -5.350 -13.706 -7.550 1.00 13.50 C ATOM 1065 C SER A 117 -5.834 -12.308 -7.273 1.00 12.35 C ATOM 1066 O SER A 117 -6.434 -12.078 -6.269 1.00 11.65 O ATOM 1067 CB SER A 117 -6.079 -14.310 -8.746 1.00 14.69 C ATOM 1068 OG SER A 117 -7.445 -14.231 -8.506 1.00 21.08 O ATOM 1069 HG SER A 117 -7.937 -14.619 -9.273 1.00 0.00 H ATOM 1070 H SER A 117 -6.149 -14.206 -5.606 1.00 0.00 H ATOM 1071 N HIS A 118 -5.534 -11.349 -8.156 1.00 12.58 N ATOM 1072 CA HIS A 118 -5.849 -9.934 -7.910 1.00 10.28 C ATOM 1073 C HIS A 118 -5.888 -9.205 -9.246 1.00 11.65 C ATOM 1074 O HIS A 118 -5.543 -9.765 -10.301 1.00 11.07 O ATOM 1075 CB HIS A 118 -4.779 -9.307 -7.031 1.00 9.52 C ATOM 1076 CG HIS A 118 -3.403 -9.449 -7.597 1.00 9.82 C ATOM 1077 ND1 HIS A 118 -2.891 -8.579 -8.540 1.00 11.15 N ATOM 1078 CD2 HIS A 118 -2.481 -10.427 -7.454 1.00 10.13 C ATOM 1079 CE1 HIS A 118 -1.696 -8.991 -8.920 1.00 10.61 C ATOM 1080 NE2 HIS A 118 -1.419 -10.105 -8.270 1.00 10.97 N ATOM 1081 H HIS A 118 -5.063 -11.613 -9.045 1.00 0.00 H ATOM 1082 N SER A 119 -6.286 -7.940 -9.194 1.00 12.66 N ATOM 1083 CA SER A 119 -6.311 -7.096 -10.358 1.00 13.83 C ATOM 1084 C SER A 119 -4.920 -6.528 -10.654 1.00 15.53 C ATOM 1085 O SER A 119 -4.062 -6.381 -9.736 1.00 16.72 O ATOM 1086 CB SER A 119 -7.299 -5.965 -10.143 1.00 12.84 C ATOM 1087 OG SER A 119 -6.914 -5.197 -9.025 1.00 13.00 O ATOM 1088 HG SER A 119 -6.013 -4.819 -9.181 1.00 0.00 H ATOM 1089 H SER A 119 -6.590 -7.546 -8.281 1.00 0.00 H ATOM 1090 N VAL A 120 -4.690 -6.227 -11.935 1.00 16.39 N ATOM 1091 CA VAL A 120 -3.546 -5.442 -12.376 1.00 16.87 C ATOM 1092 C VAL A 120 -3.699 -4.060 -11.762 1.00 17.29 C ATOM 1093 O VAL A 120 -2.711 -3.476 -11.347 1.00 18.37 O ATOM 1094 CB VAL A 120 -3.443 -5.350 -13.947 1.00 18.46 C ATOM 1095 CG1 VAL A 120 -2.279 -4.496 -14.352 1.00 17.46 C ATOM 1096 CG2 VAL A 120 -3.283 -6.737 -14.565 1.00 17.55 C ATOM 1097 H VAL A 120 -5.361 -6.570 -12.652 1.00 0.00 H ATOM 1098 N GLN A 121 -4.930 -3.542 -11.668 1.00 16.98 N ATOM 1099 CA GLN A 121 -5.146 -2.230 -11.058 1.00 15.96 C ATOM 1100 C GLN A 121 -4.839 -2.135 -9.556 1.00 15.05 C ATOM 1101 O GLN A 121 -5.137 -3.044 -8.798 1.00 15.15 O ATOM 1102 CB GLN A 121 -6.571 -1.776 -11.287 1.00 15.84 C ATOM 1103 CG GLN A 121 -6.774 -0.303 -10.860 1.00 15.43 C ATOM 1104 CD GLN A 121 -8.121 0.200 -11.176 1.00 16.36 C ATOM 1105 OE1 GLN A 121 -9.090 -0.538 -11.086 1.00 17.62 O ATOM 1106 NE2 GLN A 121 -8.213 1.477 -11.576 1.00 18.88 N ATOM 1107 HE22 GLN A 121 -7.358 2.066 -11.636 1.00 0.00 H ATOM 1108 HE21 GLN A 121 -9.139 1.878 -11.826 1.00 0.00 H ATOM 1109 H GLN A 121 -5.742 -4.079 -12.033 1.00 0.00 H ATOM 1110 N ASP A 122 -4.296 -0.997 -9.131 1.00 15.27 N ATOM 1111 CA ASP A 122 -3.946 -0.748 -7.745 1.00 14.94 C ATOM 1112 C ASP A 122 -4.974 0.166 -7.131 1.00 14.80 C ATOM 1113 O ASP A 122 -5.667 0.874 -7.833 1.00 17.09 O ATOM 1114 CB ASP A 122 -2.553 -0.113 -7.656 1.00 15.74 C ATOM 1115 CG ASP A 122 -1.439 -1.075 -7.988 1.00 19.08 C ATOM 1116 OD1 ASP A 122 -0.296 -0.642 -8.223 1.00 23.37 O ATOM 1117 OD2 ASP A 122 -1.676 -2.307 -7.988 1.00 26.33 O ATOM 1118 H ASP A 122 -4.113 -0.247 -9.828 1.00 0.00 H ATOM 1119 N ALA A 123 -5.087 0.176 -5.817 1.00 14.06 N ATOM 1120 CA ALA A 123 -6.024 1.099 -5.152 1.00 14.22 C ATOM 1121 C ALA A 123 -5.331 1.616 -3.891 1.00 13.84 C ATOM 1122 O ALA A 123 -4.420 0.961 -3.407 1.00 13.87 O ATOM 1123 CB ALA A 123 -7.334 0.396 -4.814 1.00 12.57 C ATOM 1124 H ALA A 123 -4.510 -0.473 -5.245 1.00 0.00 H ATOM 1125 N ALA A 124 -5.752 2.770 -3.363 1.00 14.77 N ATOM 1126 CA ALA A 124 -5.245 3.282 -2.071 1.00 14.99 C ATOM 1127 C ALA A 124 -6.339 4.048 -1.358 1.00 16.06 C ATOM 1128 O ALA A 124 -7.089 4.762 -1.986 1.00 18.52 O ATOM 1129 CB ALA A 124 -3.945 4.166 -2.271 1.00 13.83 C ATOM 1130 H ALA A 124 -6.462 3.328 -3.879 1.00 0.00 H ATOM 1131 N LEU A 125 -6.459 3.905 -0.047 1.00 17.08 N ATOM 1132 CA LEU A 125 -7.309 4.823 0.683 1.00 18.23 C ATOM 1133 C LEU A 125 -6.751 6.213 0.541 1.00 21.17 C ATOM 1134 O LEU A 125 -5.566 6.462 0.755 1.00 20.78 O ATOM 1135 CB LEU A 125 -7.409 4.491 2.151 1.00 17.30 C ATOM 1136 CG LEU A 125 -8.009 3.134 2.511 1.00 16.12 C ATOM 1137 CD1 LEU A 125 -8.028 2.994 4.051 1.00 13.51 C ATOM 1138 CD2 LEU A 125 -9.408 2.996 1.858 1.00 15.14 C ATOM 1139 H LEU A 125 -5.951 3.146 0.450 1.00 0.00 H ATOM 1140 N SER A 126 -7.641 7.131 0.189 1.00 24.34 N ATOM 1141 CA SER A 126 -7.319 8.535 0.046 1.00 26.67 C ATOM 1142 C SER A 126 -6.794 9.189 1.371 1.00 27.40 C ATOM 1143 O SER A 126 -6.063 10.193 1.345 1.00 28.55 O ATOM 1144 CB SER A 126 -8.585 9.201 -0.500 1.00 27.42 C ATOM 1145 OG SER A 126 -8.771 10.517 -0.011 1.00 31.64 O ATOM 1146 HG SER A 126 -9.601 10.896 -0.395 1.00 0.00 H ATOM 1147 H SER A 126 -8.619 6.827 0.007 1.00 0.00 H ATOM 1148 N ASP A 127 -7.156 8.599 2.509 1.00 27.77 N ATOM 1149 CA ASP A 127 -6.806 9.088 3.853 1.00 29.32 C ATOM 1150 C ASP A 127 -5.549 8.439 4.485 1.00 27.57 C ATOM 1151 O ASP A 127 -5.160 8.776 5.607 1.00 28.30 O ATOM 1152 CB ASP A 127 -8.046 9.009 4.773 1.00 31.15 C ATOM 1153 CG ASP A 127 -9.096 10.110 4.434 1.00 38.48 C ATOM 1154 OD1 ASP A 127 -10.337 9.833 4.313 1.00 43.00 O ATOM 1155 OD2 ASP A 127 -8.651 11.284 4.263 1.00 45.67 O ATOM 1156 H ASP A 127 -7.726 7.732 2.444 1.00 0.00 H ATOM 1157 N GLY A 128 -4.897 7.553 3.737 1.00 24.98 N ATOM 1158 CA GLY A 128 -3.786 6.801 4.230 1.00 22.42 C ATOM 1159 C GLY A 128 -4.337 5.632 5.031 1.00 21.33 C ATOM 1160 O GLY A 128 -5.545 5.364 5.012 1.00 20.23 O ATOM 1161 H GLY A 128 -5.208 7.402 2.756 1.00 0.00 H ATOM 1162 N GLU A 129 -3.448 4.936 5.735 1.00 19.89 N ATOM 1163 CA GLU A 129 -3.854 3.869 6.601 1.00 19.83 C ATOM 1164 C GLU A 129 -3.286 4.085 7.995 1.00 20.75 C ATOM 1165 O GLU A 129 -2.383 4.875 8.201 1.00 23.04 O ATOM 1166 CB GLU A 129 -3.447 2.503 6.052 1.00 18.05 C ATOM 1167 CG GLU A 129 -3.996 2.147 4.672 1.00 18.32 C ATOM 1168 CD GLU A 129 -3.823 0.673 4.356 1.00 18.54 C ATOM 1169 OE1 GLU A 129 -4.258 0.246 3.250 1.00 18.21 O ATOM 1170 OE2 GLU A 129 -3.283 -0.047 5.240 1.00 16.92 O ATOM 1171 H GLU A 129 -2.438 5.171 5.655 1.00 0.00 H ATOM 1172 N GLY A 130 -3.861 3.404 8.966 1.00 21.22 N ATOM 1173 CA GLY A 130 -3.380 3.486 10.327 1.00 20.82 C ATOM 1174 C GLY A 130 -3.045 2.080 10.775 1.00 19.90 C ATOM 1175 O GLY A 130 -3.182 1.096 9.998 1.00 18.06 O ATOM 1176 H GLY A 130 -4.676 2.796 8.749 1.00 0.00 H TER 1177 GLY A 130 ATOM 1178 N LEU A 132 -3.090 -0.121 14.761 1.00 16.57 N ATOM 1179 CA LEU A 132 -3.064 -0.388 16.195 1.00 17.97 C ATOM 1180 C LEU A 132 -1.679 -0.510 16.832 1.00 18.25 C ATOM 1181 O LEU A 132 -1.517 -0.176 18.001 1.00 19.51 O ATOM 1182 CB LEU A 132 -3.858 -1.681 16.506 1.00 17.76 C ATOM 1183 CG LEU A 132 -5.323 -1.670 16.138 1.00 18.67 C ATOM 1184 CD1 LEU A 132 -5.912 -3.083 16.140 1.00 19.55 C ATOM 1185 CD2 LEU A 132 -6.058 -0.718 17.093 1.00 20.19 C ATOM 1186 HN3 LEU A 132 -2.608 -0.893 14.257 1.00 0.00 H ATOM 1187 HN2 LEU A 132 -2.604 0.778 14.568 1.00 0.00 H ATOM 1188 HN1 LEU A 132 -4.077 -0.059 14.439 1.00 0.00 H ATOM 1189 N SER A 133 -0.693 -1.005 16.086 1.00 17.60 N ATOM 1190 CA SER A 133 0.655 -1.171 16.617 1.00 17.53 C ATOM 1191 C SER A 133 1.569 0.039 16.420 1.00 18.88 C ATOM 1192 O SER A 133 2.676 0.086 16.965 1.00 21.14 O ATOM 1193 CB SER A 133 1.296 -2.411 15.978 1.00 17.61 C ATOM 1194 OG SER A 133 0.487 -3.574 16.104 1.00 14.95 O ATOM 1195 HG SER A 133 0.339 -3.769 17.063 1.00 0.00 H ATOM 1196 H SER A 133 -0.889 -1.279 15.102 1.00 0.00 H ATOM 1197 N VAL A 134 1.116 1.013 15.646 1.00 19.20 N ATOM 1198 CA VAL A 134 1.901 2.152 15.240 1.00 20.37 C ATOM 1199 C VAL A 134 1.341 3.410 15.921 1.00 24.16 C ATOM 1200 O VAL A 134 0.172 3.768 15.775 1.00 24.17 O ATOM 1201 CB VAL A 134 1.970 2.253 13.659 1.00 19.07 C ATOM 1202 CG1 VAL A 134 2.834 3.431 13.169 1.00 16.03 C ATOM 1203 CG2 VAL A 134 2.555 0.957 13.120 1.00 15.75 C ATOM 1204 H VAL A 134 0.134 0.953 15.310 1.00 0.00 H ATOM 1205 N ASP A 135 2.190 4.064 16.696 1.00 28.14 N ATOM 1206 CA ASP A 135 1.799 5.229 17.504 1.00 32.45 C ATOM 1207 C ASP A 135 2.485 6.444 16.828 1.00 33.33 C ATOM 1208 O ASP A 135 2.991 7.354 17.493 1.00 35.85 O ATOM 1209 CB ASP A 135 2.227 5.025 18.998 1.00 33.79 C ATOM 1210 CG ASP A 135 1.681 3.675 19.626 1.00 39.06 C ATOM 1211 OD1 ASP A 135 2.453 2.694 19.877 1.00 44.08 O ATOM 1212 OD2 ASP A 135 0.449 3.570 19.875 1.00 45.52 O ATOM 1213 H ASP A 135 3.178 3.740 16.736 1.00 0.00 H ATOM 1214 N ARG A 136 2.552 6.414 15.503 1.00 32.24 N ATOM 1215 CA ARG A 136 3.107 7.524 14.726 1.00 32.70 C ATOM 1216 C ARG A 136 2.127 7.989 13.673 1.00 32.89 C ATOM 1217 O ARG A 136 1.216 7.238 13.281 1.00 32.62 O ATOM 1218 CB ARG A 136 4.404 7.128 14.027 1.00 31.64 C ATOM 1219 CG ARG A 136 5.489 6.698 14.934 1.00 31.45 C ATOM 1220 CD ARG A 136 6.758 6.386 14.182 1.00 31.82 C ATOM 1221 NE ARG A 136 6.639 5.230 13.285 1.00 30.74 N ATOM 1222 CZ ARG A 136 6.658 5.286 11.955 1.00 28.14 C ATOM 1223 NH1 ARG A 136 6.552 4.156 11.241 1.00 19.92 N ATOM 1224 NH2 ARG A 136 6.798 6.467 11.350 1.00 25.98 N ATOM 1225 HE ARG A 136 6.531 4.293 13.723 1.00 0.00 H ATOM 1226 HH12 ARG A 136 6.566 4.194 10.202 1.00 0.00 H ATOM 1227 HH11 ARG A 136 6.455 3.241 11.726 1.00 0.00 H ATOM 1228 HH22 ARG A 136 6.814 6.521 10.312 1.00 0.00 H ATOM 1229 HH21 ARG A 136 6.891 7.334 11.917 1.00 0.00 H ATOM 1230 H ARG A 136 2.199 5.575 15.000 1.00 0.00 H ATOM 1231 N GLU A 137 2.310 9.233 13.218 1.00 34.32 N ATOM 1232 CA GLU A 137 1.547 9.779 12.103 1.00 33.75 C ATOM 1233 C GLU A 137 2.317 9.402 10.844 1.00 32.70 C ATOM 1234 O GLU A 137 3.486 9.763 10.688 1.00 34.28 O ATOM 1235 CB GLU A 137 1.377 11.320 12.266 1.00 36.20 C ATOM 1236 H GLU A 137 3.024 9.834 13.677 1.00 0.00 H ATOM 1237 N VAL A 138 1.726 8.548 10.003 1.00 30.54 N ATOM 1238 CA VAL A 138 2.426 8.059 8.782 1.00 27.19 C ATOM 1239 C VAL A 138 1.604 8.500 7.585 1.00 27.10 C ATOM 1240 O VAL A 138 0.575 7.884 7.278 1.00 26.05 O ATOM 1241 CB VAL A 138 2.606 6.521 8.751 1.00 25.38 C ATOM 1242 CG1 VAL A 138 3.461 6.126 7.598 1.00 22.14 C ATOM 1243 CG2 VAL A 138 3.184 6.009 10.053 1.00 23.82 C ATOM 1244 H VAL A 138 0.760 8.219 10.204 1.00 0.00 H ATOM 1245 N PRO A 139 2.028 9.583 6.918 1.00 27.30 N ATOM 1246 CA PRO A 139 1.260 10.073 5.783 1.00 27.38 C ATOM 1247 C PRO A 139 1.523 9.279 4.486 1.00 26.05 C ATOM 1248 O PRO A 139 2.598 8.744 4.304 1.00 27.60 O ATOM 1249 CB PRO A 139 1.754 11.520 5.657 1.00 29.08 C ATOM 1250 CG PRO A 139 3.244 11.417 6.093 1.00 29.35 C ATOM 1251 CD PRO A 139 3.229 10.403 7.193 1.00 28.59 C ATOM 1252 N GLY A 140 0.565 9.202 3.580 1.00 25.38 N ATOM 1253 CA GLY A 140 0.868 8.680 2.251 1.00 23.96 C ATOM 1254 C GLY A 140 -0.071 7.569 1.802 1.00 22.41 C ATOM 1255 O GLY A 140 -0.775 6.948 2.613 1.00 20.34 O ATOM 1256 H GLY A 140 -0.400 9.512 3.812 1.00 0.00 H ATOM 1257 N TYR A 141 -0.043 7.308 0.501 1.00 21.15 N ATOM 1258 CA TYR A 141 -0.872 6.274 -0.093 1.00 19.52 C ATOM 1259 C TYR A 141 -0.214 4.939 0.080 1.00 16.72 C ATOM 1260 O TYR A 141 0.930 4.718 -0.380 1.00 15.61 O ATOM 1261 CB TYR A 141 -1.090 6.517 -1.592 1.00 20.90 C ATOM 1262 CG TYR A 141 -1.809 7.761 -1.900 1.00 24.82 C ATOM 1263 CD1 TYR A 141 -2.989 8.076 -1.222 1.00 26.47 C ATOM 1264 CD2 TYR A 141 -1.331 8.643 -2.877 1.00 28.74 C ATOM 1265 CE1 TYR A 141 -3.668 9.254 -1.479 1.00 29.51 C ATOM 1266 CE2 TYR A 141 -2.020 9.849 -3.162 1.00 29.56 C ATOM 1267 CZ TYR A 141 -3.187 10.138 -2.456 1.00 30.60 C ATOM 1268 OH TYR A 141 -3.908 11.297 -2.701 1.00 30.90 O ATOM 1269 HH TYR A 141 -4.699 11.324 -2.106 1.00 0.00 H ATOM 1270 H TYR A 141 0.591 7.860 -0.111 1.00 0.00 H ATOM 1271 N VAL A 142 -0.968 4.036 0.698 1.00 14.77 N ATOM 1272 CA VAL A 142 -0.543 2.657 0.869 1.00 12.78 C ATOM 1273 C VAL A 142 -1.074 1.916 -0.343 1.00 12.97 C ATOM 1274 O VAL A 142 -2.281 1.684 -0.465 1.00 12.86 O ATOM 1275 CB VAL A 142 -1.070 2.042 2.208 1.00 12.12 C ATOM 1276 CG1 VAL A 142 -0.604 0.602 2.345 1.00 10.59 C ATOM 1277 CG2 VAL A 142 -0.657 2.869 3.424 1.00 8.81 C ATOM 1278 H VAL A 142 -1.894 4.326 1.072 1.00 0.00 H ATOM 1279 N VAL A 143 -0.181 1.596 -1.275 1.00 13.54 N ATOM 1280 CA VAL A 143 -0.586 1.036 -2.582 1.00 12.68 C ATOM 1281 C VAL A 143 -0.906 -0.468 -2.512 1.00 12.26 C ATOM 1282 O VAL A 143 -0.080 -1.313 -2.134 1.00 12.91 O ATOM 1283 CB VAL A 143 0.421 1.437 -3.694 1.00 14.28 C ATOM 1284 CG1 VAL A 143 -0.021 0.906 -5.065 1.00 11.51 C ATOM 1285 CG2 VAL A 143 0.580 2.991 -3.723 1.00 12.28 C ATOM 1286 H VAL A 143 0.830 1.744 -1.079 1.00 0.00 H ATOM 1287 N ARG A 144 -2.165 -0.799 -2.779 1.00 11.99 N ATOM 1288 CA ARG A 144 -2.618 -2.163 -2.629 1.00 10.50 C ATOM 1289 C ARG A 144 -3.220 -2.601 -3.991 1.00 10.60 C ATOM 1290 O ARG A 144 -3.275 -1.802 -4.884 1.00 11.72 O ATOM 1291 CB ARG A 144 -3.638 -2.216 -1.484 1.00 10.84 C ATOM 1292 CG ARG A 144 -3.027 -1.815 -0.107 1.00 9.91 C ATOM 1293 CD ARG A 144 -3.801 -2.375 1.085 1.00 7.66 C ATOM 1294 NE ARG A 144 -3.130 -2.086 2.359 1.00 8.38 N ATOM 1295 CZ ARG A 144 -2.187 -2.848 2.925 1.00 8.33 C ATOM 1296 NH1 ARG A 144 -1.750 -3.955 2.331 1.00 8.68 N ATOM 1297 NH2 ARG A 144 -1.667 -2.503 4.090 1.00 7.75 N ATOM 1298 HE ARG A 144 -3.410 -1.220 2.861 1.00 0.00 H ATOM 1299 HH12 ARG A 144 -1.016 -4.535 2.786 1.00 0.00 H ATOM 1300 HH11 ARG A 144 -2.142 -4.241 1.411 1.00 0.00 H ATOM 1301 HH22 ARG A 144 -0.934 -3.096 4.529 1.00 0.00 H ATOM 1302 HH21 ARG A 144 -1.991 -1.638 4.568 1.00 0.00 H ATOM 1303 H ARG A 144 -2.832 -0.068 -3.100 1.00 0.00 H ATOM 1304 N HIS A 145 -3.633 -3.856 -4.132 1.00 9.22 N ATOM 1305 CA HIS A 145 -4.473 -4.286 -5.215 1.00 9.84 C ATOM 1306 C HIS A 145 -5.848 -3.712 -5.066 1.00 10.03 C ATOM 1307 O HIS A 145 -6.371 -3.621 -3.957 1.00 12.15 O ATOM 1308 CB HIS A 145 -4.594 -5.822 -5.274 1.00 8.53 C ATOM 1309 CG HIS A 145 -3.289 -6.537 -5.187 1.00 8.24 C ATOM 1310 ND1 HIS A 145 -2.323 -6.458 -6.177 1.00 10.60 N ATOM 1311 CD2 HIS A 145 -2.788 -7.362 -4.240 1.00 4.91 C ATOM 1312 CE1 HIS A 145 -1.278 -7.203 -5.846 1.00 8.29 C ATOM 1313 NE2 HIS A 145 -1.535 -7.764 -4.674 1.00 8.45 N ATOM 1314 H HIS A 145 -3.334 -4.559 -3.426 1.00 0.00 H ATOM 1315 N ALA A 146 -6.467 -3.396 -6.188 1.00 10.60 N ATOM 1316 CA ALA A 146 -7.851 -2.920 -6.218 1.00 11.13 C ATOM 1317 C ALA A 146 -8.824 -4.061 -5.826 1.00 11.08 C ATOM 1318 O ALA A 146 -9.687 -3.911 -4.959 1.00 10.83 O ATOM 1319 CB ALA A 146 -8.193 -2.318 -7.613 1.00 10.63 C ATOM 1320 H ALA A 146 -5.951 -3.489 -7.086 1.00 0.00 H ATOM 1321 N ARG A 147 -8.649 -5.211 -6.463 1.00 10.90 N ATOM 1322 CA ARG A 147 -9.530 -6.331 -6.257 1.00 10.04 C ATOM 1323 C ARG A 147 -8.662 -7.527 -5.971 1.00 9.30 C ATOM 1324 O ARG A 147 -7.565 -7.637 -6.522 1.00 10.01 O ATOM 1325 CB ARG A 147 -10.392 -6.520 -7.526 1.00 11.72 C ATOM 1326 CG ARG A 147 -11.201 -5.254 -7.864 1.00 12.90 C ATOM 1327 CD ARG A 147 -11.907 -5.273 -9.157 1.00 14.07 C ATOM 1328 NE ARG A 147 -11.021 -5.190 -10.336 1.00 19.97 N ATOM 1329 CZ ARG A 147 -10.486 -4.059 -10.830 1.00 23.16 C ATOM 1330 NH1 ARG A 147 -10.677 -2.861 -10.227 1.00 19.84 N ATOM 1331 NH2 ARG A 147 -9.712 -4.140 -11.921 1.00 23.50 N ATOM 1332 HE ARG A 147 -10.792 -6.079 -10.824 1.00 0.00 H ATOM 1333 HH12 ARG A 147 -10.252 -2.002 -10.631 1.00 0.00 H ATOM 1334 HH11 ARG A 147 -11.249 -2.800 -9.361 1.00 0.00 H ATOM 1335 HH22 ARG A 147 -9.287 -3.280 -12.322 1.00 0.00 H ATOM 1336 HH21 ARG A 147 -9.536 -5.063 -12.367 1.00 0.00 H ATOM 1337 H ARG A 147 -7.855 -5.306 -7.128 1.00 0.00 H ATOM 1338 N VAL A 148 -9.136 -8.415 -5.096 1.00 9.02 N ATOM 1339 CA VAL A 148 -8.423 -9.676 -4.760 1.00 8.02 C ATOM 1340 C VAL A 148 -9.392 -10.831 -4.783 1.00 8.40 C ATOM 1341 O VAL A 148 -10.581 -10.608 -4.618 1.00 8.28 O ATOM 1342 CB VAL A 148 -7.665 -9.609 -3.398 1.00 7.22 C ATOM 1343 CG1 VAL A 148 -6.578 -8.580 -3.496 1.00 5.78 C ATOM 1344 CG2 VAL A 148 -8.616 -9.194 -2.214 1.00 5.41 C ATOM 1345 H VAL A 148 -10.044 -8.217 -4.628 1.00 0.00 H ATOM 1346 N THR A 149 -8.898 -12.055 -5.025 1.00 8.73 N ATOM 1347 CA THR A 149 -9.668 -13.243 -4.704 1.00 9.23 C ATOM 1348 C THR A 149 -8.881 -13.853 -3.602 1.00 9.20 C ATOM 1349 O THR A 149 -7.672 -14.080 -3.760 1.00 7.40 O ATOM 1350 CB THR A 149 -9.811 -14.246 -5.899 1.00 10.53 C ATOM 1351 OG1 THR A 149 -10.274 -13.536 -7.042 1.00 14.39 O ATOM 1352 CG2 THR A 149 -10.828 -15.356 -5.584 1.00 10.68 C ATOM 1353 HG1 THR A 149 -9.623 -12.827 -7.275 1.00 0.00 H ATOM 1354 H THR A 149 -7.953 -12.154 -5.447 1.00 0.00 H ATOM 1355 N ILE A 150 -9.542 -14.086 -2.474 1.00 8.93 N ATOM 1356 CA ILE A 150 -8.912 -14.825 -1.380 1.00 9.48 C ATOM 1357 C ILE A 150 -9.557 -16.187 -1.124 1.00 9.45 C ATOM 1358 O ILE A 150 -10.754 -16.382 -1.328 1.00 10.60 O ATOM 1359 CB ILE A 150 -8.898 -13.997 -0.023 1.00 9.77 C ATOM 1360 CG1 ILE A 150 -10.316 -14.022 0.536 1.00 9.98 C ATOM 1361 CG2 ILE A 150 -8.208 -12.537 -0.273 1.00 5.15 C ATOM 1362 CD1 ILE A 150 -10.567 -13.388 1.860 1.00 12.73 C ATOM 1363 H ILE A 150 -10.517 -13.740 -2.367 1.00 0.00 H ATOM 1364 N GLU A 151 -8.733 -17.133 -0.684 1.00 9.79 N ATOM 1365 CA GLU A 151 -9.160 -18.336 0.009 1.00 10.28 C ATOM 1366 C GLU A 151 -8.827 -18.331 1.486 1.00 9.55 C ATOM 1367 O GLU A 151 -7.812 -17.790 1.913 1.00 9.66 O ATOM 1368 CB GLU A 151 -8.469 -19.531 -0.610 1.00 11.69 C ATOM 1369 CG GLU A 151 -9.020 -19.855 -2.002 1.00 15.36 C ATOM 1370 CD GLU A 151 -8.151 -20.891 -2.663 1.00 19.53 C ATOM 1371 OE1 GLU A 151 -8.468 -21.303 -3.796 1.00 23.87 O ATOM 1372 OE2 GLU A 151 -7.131 -21.288 -2.044 1.00 21.54 O ATOM 1373 H GLU A 151 -7.714 -17.003 -0.847 1.00 0.00 H ATOM 1374 N TYR A 152 -9.642 -19.005 2.275 1.00 9.42 N ATOM 1375 CA TYR A 152 -9.410 -19.044 3.718 1.00 9.30 C ATOM 1376 C TYR A 152 -10.256 -20.151 4.332 1.00 9.88 C ATOM 1377 O TYR A 152 -11.190 -20.617 3.692 1.00 9.75 O ATOM 1378 CB TYR A 152 -9.703 -17.659 4.361 1.00 7.71 C ATOM 1379 CG TYR A 152 -11.178 -17.275 4.421 1.00 7.50 C ATOM 1380 CD1 TYR A 152 -11.981 -17.693 5.493 1.00 7.11 C ATOM 1381 CD2 TYR A 152 -11.768 -16.478 3.408 1.00 4.42 C ATOM 1382 CE1 TYR A 152 -13.327 -17.358 5.554 1.00 7.19 C ATOM 1383 CE2 TYR A 152 -13.134 -16.142 3.465 1.00 4.56 C ATOM 1384 CZ TYR A 152 -13.893 -16.568 4.533 1.00 8.06 C ATOM 1385 OH TYR A 152 -15.257 -16.227 4.601 1.00 10.80 O ATOM 1386 HH TYR A 152 -15.651 -16.609 5.425 1.00 0.00 H ATOM 1387 H TYR A 152 -10.454 -19.511 1.868 1.00 0.00 H ATOM 1388 N PHE A 153 -9.940 -20.551 5.563 1.00 10.24 N ATOM 1389 CA PHE A 153 -10.763 -21.479 6.306 1.00 11.49 C ATOM 1390 C PHE A 153 -11.425 -20.770 7.463 1.00 12.16 C ATOM 1391 O PHE A 153 -10.822 -19.894 8.064 1.00 12.23 O ATOM 1392 CB PHE A 153 -9.952 -22.689 6.766 1.00 12.62 C ATOM 1393 CG PHE A 153 -9.334 -23.438 5.631 1.00 14.65 C ATOM 1394 CD1 PHE A 153 -9.917 -24.600 5.160 1.00 17.00 C ATOM 1395 CD2 PHE A 153 -8.223 -22.916 4.963 1.00 15.51 C ATOM 1396 CE1 PHE A 153 -9.394 -25.266 4.070 1.00 12.88 C ATOM 1397 CE2 PHE A 153 -7.703 -23.552 3.848 1.00 17.18 C ATOM 1398 CZ PHE A 153 -8.283 -24.754 3.408 1.00 16.04 C ATOM 1399 H PHE A 153 -9.073 -20.184 6.004 1.00 0.00 H ATOM 1400 N ASP A 154 -12.663 -21.136 7.765 1.00 12.91 N ATOM 1401 CA ASP A 154 -13.291 -20.693 8.989 1.00 14.21 C ATOM 1402 C ASP A 154 -13.019 -21.702 10.098 1.00 15.02 C ATOM 1403 O ASP A 154 -12.317 -22.680 9.864 1.00 16.36 O ATOM 1404 CB ASP A 154 -14.807 -20.346 8.810 1.00 15.22 C ATOM 1405 CG ASP A 154 -15.694 -21.544 8.462 1.00 16.03 C ATOM 1406 OD1 ASP A 154 -15.548 -22.636 9.006 1.00 20.28 O ATOM 1407 OD2 ASP A 154 -16.627 -21.374 7.643 1.00 22.96 O ATOM 1408 H ASP A 154 -13.190 -21.751 7.112 1.00 0.00 H ATOM 1409 N LYS A 155 -13.595 -21.491 11.271 1.00 15.73 N ATOM 1410 CA LYS A 155 -13.247 -22.290 12.463 1.00 18.12 C ATOM 1411 C LYS A 155 -13.745 -23.720 12.426 1.00 18.98 C ATOM 1412 O LYS A 155 -13.322 -24.520 13.241 1.00 19.38 O ATOM 1413 CB LYS A 155 -13.697 -21.582 13.761 1.00 18.14 C ATOM 1414 CG LYS A 155 -15.172 -21.703 14.024 1.00 22.06 C ATOM 1415 CD LYS A 155 -15.752 -20.536 14.734 1.00 26.23 C ATOM 1416 CE LYS A 155 -15.723 -20.696 16.247 1.00 29.20 C ATOM 1417 NZ LYS A 155 -16.643 -19.635 16.836 1.00 33.99 N ATOM 1418 HZ1 LYS A 155 -16.302 -18.691 16.563 1.00 0.00 H ATOM 1419 HZ2 LYS A 155 -17.608 -19.774 16.473 1.00 0.00 H ATOM 1420 HZ3 LYS A 155 -16.646 -19.717 17.873 1.00 0.00 H ATOM 1421 H LYS A 155 -14.312 -20.742 11.355 1.00 0.00 H ATOM 1422 N THR A 156 -14.630 -24.040 11.485 1.00 19.90 N ATOM 1423 CA THR A 156 -15.057 -25.418 11.249 1.00 21.89 C ATOM 1424 C THR A 156 -14.074 -26.119 10.308 1.00 22.06 C ATOM 1425 O THR A 156 -14.152 -27.336 10.123 1.00 24.34 O ATOM 1426 CB THR A 156 -16.505 -25.473 10.609 1.00 24.12 C ATOM 1427 OG1 THR A 156 -16.462 -25.057 9.228 1.00 24.82 O ATOM 1428 CG2 THR A 156 -17.511 -24.571 11.355 1.00 23.23 C ATOM 1429 HG1 THR A 156 -16.121 -24.129 9.175 1.00 0.00 H ATOM 1430 H THR A 156 -15.032 -23.283 10.897 1.00 0.00 H ATOM 1431 N GLY A 157 -13.134 -25.393 9.694 1.00 19.55 N ATOM 1432 CA GLY A 157 -12.280 -26.060 8.735 1.00 17.88 C ATOM 1433 C GLY A 157 -12.846 -26.024 7.331 1.00 18.27 C ATOM 1434 O GLY A 157 -12.201 -26.488 6.409 1.00 19.39 O ATOM 1435 H GLY A 157 -13.020 -24.380 9.899 1.00 0.00 H ATOM 1436 N GLU A 158 -14.042 -25.461 7.161 1.00 17.34 N ATOM 1437 CA GLU A 158 -14.615 -25.215 5.848 1.00 16.95 C ATOM 1438 C GLU A 158 -13.882 -24.124 5.052 1.00 15.03 C ATOM 1439 O GLU A 158 -13.626 -23.019 5.544 1.00 12.60 O ATOM 1440 CB GLU A 158 -16.115 -24.864 5.955 1.00 17.83 C ATOM 1441 CG GLU A 158 -16.701 -24.400 4.637 1.00 19.96 C ATOM 1442 CD GLU A 158 -18.185 -24.275 4.614 1.00 25.40 C ATOM 1443 OE1 GLU A 158 -18.725 -24.279 3.486 1.00 27.18 O ATOM 1444 OE2 GLU A 158 -18.818 -24.166 5.694 1.00 29.16 O ATOM 1445 H GLU A 158 -14.588 -25.186 8.003 1.00 0.00 H ATOM 1446 N LYS A 159 -13.598 -24.456 3.796 1.00 15.40 N ATOM 1447 CA LYS A 159 -12.846 -23.604 2.893 1.00 15.97 C ATOM 1448 C LYS A 159 -13.774 -22.642 2.132 1.00 15.29 C ATOM 1449 O LYS A 159 -14.822 -23.082 1.593 1.00 15.88 O ATOM 1450 CB LYS A 159 -12.058 -24.480 1.921 1.00 15.69 C ATOM 1451 CG LYS A 159 -11.157 -23.705 1.006 1.00 17.54 C ATOM 1452 CD LYS A 159 -10.398 -24.615 0.030 1.00 18.46 C ATOM 1453 CE LYS A 159 -9.175 -23.811 -0.548 1.00 20.08 C ATOM 1454 NZ LYS A 159 -8.554 -24.506 -1.706 1.00 20.61 N ATOM 1455 HZ1 LYS A 159 -8.217 -25.443 -1.406 1.00 0.00 H ATOM 1456 HZ2 LYS A 159 -9.260 -24.616 -2.462 1.00 0.00 H ATOM 1457 HZ3 LYS A 159 -7.753 -23.944 -2.057 1.00 0.00 H ATOM 1458 H LYS A 159 -13.932 -25.375 3.442 1.00 0.00 H ATOM 1459 N HIS A 160 -13.397 -21.353 2.121 1.00 13.14 N ATOM 1460 CA HIS A 160 -14.091 -20.309 1.369 1.00 12.83 C ATOM 1461 C HIS A 160 -13.217 -19.699 0.290 1.00 12.49 C ATOM 1462 O HIS A 160 -12.023 -19.546 0.464 1.00 10.73 O ATOM 1463 CB HIS A 160 -14.645 -19.240 2.298 1.00 12.68 C ATOM 1464 CG HIS A 160 -15.548 -19.802 3.362 1.00 13.58 C ATOM 1465 ND1 HIS A 160 -16.921 -19.866 3.221 1.00 15.80 N ATOM 1466 CD2 HIS A 160 -15.267 -20.362 4.567 1.00 12.37 C ATOM 1467 CE1 HIS A 160 -17.444 -20.439 4.297 1.00 15.18 C ATOM 1468 NE2 HIS A 160 -16.465 -20.758 5.121 1.00 11.89 N ATOM 1469 H HIS A 160 -12.563 -21.082 2.680 1.00 0.00 H ATOM 1470 N ARG A 161 -13.834 -19.408 -0.857 1.00 13.29 N ATOM 1471 CA ARG A 161 -13.190 -18.671 -1.970 1.00 13.73 C ATOM 1472 C ARG A 161 -14.034 -17.441 -2.186 1.00 13.22 C ATOM 1473 O ARG A 161 -15.229 -17.559 -2.404 1.00 13.67 O ATOM 1474 CB ARG A 161 -13.148 -19.523 -3.227 1.00 13.92 C ATOM 1475 CG ARG A 161 -12.667 -20.972 -2.916 1.00 16.74 C ATOM 1476 CD ARG A 161 -12.267 -21.798 -4.158 1.00 18.19 C ATOM 1477 NE ARG A 161 -11.200 -21.108 -4.888 1.00 20.43 N ATOM 1478 CZ ARG A 161 -11.158 -20.964 -6.211 1.00 18.89 C ATOM 1479 NH1 ARG A 161 -12.128 -21.442 -6.980 1.00 17.57 N ATOM 1480 NH2 ARG A 161 -10.142 -20.332 -6.748 1.00 17.21 N ATOM 1481 HE ARG A 161 -10.420 -20.702 -4.333 1.00 0.00 H ATOM 1482 HH12 ARG A 161 -12.081 -21.321 -8.012 1.00 0.00 H ATOM 1483 HH11 ARG A 161 -12.936 -21.937 -6.551 1.00 0.00 H ATOM 1484 HH22 ARG A 161 -10.092 -20.210 -7.780 1.00 0.00 H ATOM 1485 HH21 ARG A 161 -9.386 -19.953 -6.142 1.00 0.00 H ATOM 1486 H ARG A 161 -14.820 -19.715 -0.976 1.00 0.00 H ATOM 1487 N LEU A 162 -13.425 -16.258 -2.096 1.00 12.28 N ATOM 1488 CA LEU A 162 -14.169 -14.999 -2.129 1.00 11.96 C ATOM 1489 C LEU A 162 -13.474 -13.915 -2.956 1.00 10.37 C ATOM 1490 O LEU A 162 -12.311 -13.688 -2.745 1.00 10.08 O ATOM 1491 CB LEU A 162 -14.238 -14.479 -0.687 1.00 11.16 C ATOM 1492 CG LEU A 162 -15.439 -13.864 -0.004 1.00 12.76 C ATOM 1493 CD1 LEU A 162 -14.914 -12.768 0.859 1.00 11.93 C ATOM 1494 CD2 LEU A 162 -16.599 -13.370 -0.884 1.00 13.71 C ATOM 1495 H LEU A 162 -12.390 -16.230 -1.999 1.00 0.00 H ATOM 1496 N LYS A 163 -14.199 -13.193 -3.805 1.00 9.83 N ATOM 1497 CA LYS A 163 -13.685 -11.979 -4.432 1.00 10.52 C ATOM 1498 C LYS A 163 -14.087 -10.683 -3.673 1.00 10.74 C ATOM 1499 O LYS A 163 -15.215 -10.547 -3.204 1.00 10.66 O ATOM 1500 CB LYS A 163 -14.142 -11.871 -5.882 1.00 11.27 C ATOM 1501 CG LYS A 163 -13.615 -12.945 -6.789 1.00 14.16 C ATOM 1502 CD LYS A 163 -14.125 -12.736 -8.232 1.00 18.49 C ATOM 1503 CE LYS A 163 -13.336 -13.636 -9.172 1.00 23.71 C ATOM 1504 NZ LYS A 163 -13.336 -13.160 -10.581 1.00 26.08 N ATOM 1505 HZ1 LYS A 163 -14.314 -13.120 -10.932 1.00 0.00 H ATOM 1506 HZ2 LYS A 163 -12.912 -12.212 -10.625 1.00 0.00 H ATOM 1507 HZ3 LYS A 163 -12.782 -13.817 -11.167 1.00 0.00 H ATOM 1508 H LYS A 163 -15.166 -13.504 -4.030 1.00 0.00 H ATOM 1509 N LEU A 164 -13.149 -9.749 -3.559 1.00 10.60 N ATOM 1510 CA LEU A 164 -13.369 -8.519 -2.853 1.00 11.17 C ATOM 1511 C LEU A 164 -12.872 -7.335 -3.671 1.00 12.07 C ATOM 1512 O LEU A 164 -11.893 -7.416 -4.413 1.00 11.24 O ATOM 1513 CB LEU A 164 -12.670 -8.544 -1.495 1.00 10.56 C ATOM 1514 CG LEU A 164 -13.132 -9.669 -0.524 1.00 13.47 C ATOM 1515 CD1 LEU A 164 -11.978 -10.051 0.392 1.00 12.91 C ATOM 1516 CD2 LEU A 164 -14.403 -9.285 0.268 1.00 11.76 C ATOM 1517 H LEU A 164 -12.221 -9.915 -3.998 1.00 0.00 H ATOM 1518 N LYS A 165 -13.567 -6.226 -3.492 1.00 12.73 N ATOM 1519 CA LYS A 165 -13.161 -4.975 -4.023 1.00 13.81 C ATOM 1520 C LYS A 165 -13.460 -3.909 -2.955 1.00 14.02 C ATOM 1521 O LYS A 165 -13.917 -4.235 -1.860 1.00 13.43 O ATOM 1522 CB LYS A 165 -13.937 -4.707 -5.313 1.00 15.74 C ATOM 1523 CG LYS A 165 -15.434 -4.748 -5.126 1.00 17.06 C ATOM 1524 CD LYS A 165 -16.146 -4.593 -6.429 1.00 21.82 C ATOM 1525 CE LYS A 165 -17.608 -4.349 -6.167 1.00 27.71 C ATOM 1526 NZ LYS A 165 -18.431 -5.336 -6.962 1.00 32.23 N ATOM 1527 HZ1 LYS A 165 -18.234 -5.213 -7.976 1.00 0.00 H ATOM 1528 HZ2 LYS A 165 -18.182 -6.304 -6.674 1.00 0.00 H ATOM 1529 HZ3 LYS A 165 -19.441 -5.168 -6.781 1.00 0.00 H ATOM 1530 H LYS A 165 -14.447 -6.272 -2.940 1.00 0.00 H ATOM 1531 N GLY A 166 -13.183 -2.650 -3.293 1.00 15.05 N ATOM 1532 CA GLY A 166 -13.439 -1.514 -2.444 1.00 16.13 C ATOM 1533 C GLY A 166 -12.686 -1.572 -1.128 1.00 16.57 C ATOM 1534 O GLY A 166 -11.538 -2.018 -1.059 1.00 16.35 O ATOM 1535 H GLY A 166 -12.756 -2.477 -4.226 1.00 0.00 H ATOM 1536 N TYR A 167 -13.346 -1.097 -0.079 1.00 17.10 N ATOM 1537 CA TYR A 167 -12.754 -1.008 1.232 1.00 17.29 C ATOM 1538 C TYR A 167 -12.457 -2.420 1.845 1.00 15.02 C ATOM 1539 O TYR A 167 -11.440 -2.617 2.482 1.00 15.50 O ATOM 1540 CB TYR A 167 -13.690 -0.144 2.095 1.00 18.94 C ATOM 1541 CG TYR A 167 -13.154 0.190 3.444 1.00 25.43 C ATOM 1542 CD1 TYR A 167 -13.939 0.034 4.602 1.00 28.18 C ATOM 1543 CD2 TYR A 167 -11.824 0.697 3.606 1.00 31.91 C ATOM 1544 CE1 TYR A 167 -13.418 0.408 5.895 1.00 28.60 C ATOM 1545 CE2 TYR A 167 -11.295 1.037 4.905 1.00 29.36 C ATOM 1546 CZ TYR A 167 -12.109 0.874 6.019 1.00 26.36 C ATOM 1547 OH TYR A 167 -11.626 1.213 7.247 1.00 27.49 O ATOM 1548 HH TYR A 167 -12.319 1.040 7.932 1.00 0.00 H ATOM 1549 H TYR A 167 -14.327 -0.777 -0.208 1.00 0.00 H ATOM 1550 N ASN A 168 -13.351 -3.385 1.659 1.00 14.09 N ATOM 1551 CA ASN A 168 -13.170 -4.795 2.077 1.00 12.62 C ATOM 1552 C ASN A 168 -11.895 -5.428 1.621 1.00 10.97 C ATOM 1553 O ASN A 168 -11.242 -6.146 2.370 1.00 9.45 O ATOM 1554 CB ASN A 168 -14.289 -5.662 1.494 1.00 13.58 C ATOM 1555 CG ASN A 168 -15.600 -5.439 2.172 1.00 15.02 C ATOM 1556 OD1 ASN A 168 -15.696 -4.630 3.095 1.00 17.47 O ATOM 1557 ND2 ASN A 168 -16.627 -6.125 1.704 1.00 14.85 N ATOM 1558 HD22 ASN A 168 -16.491 -6.797 0.922 1.00 0.00 H ATOM 1559 HD21 ASN A 168 -17.572 -5.994 2.118 1.00 0.00 H ATOM 1560 H ASN A 168 -14.242 -3.133 1.186 1.00 0.00 H ATOM 1561 N SER A 169 -11.574 -5.180 0.359 1.00 10.58 N ATOM 1562 CA SER A 169 -10.292 -5.592 -0.237 1.00 8.98 C ATOM 1563 C SER A 169 -9.043 -4.944 0.447 1.00 8.99 C ATOM 1564 O SER A 169 -8.068 -5.648 0.775 1.00 8.43 O ATOM 1565 CB SER A 169 -10.390 -5.346 -1.751 1.00 7.96 C ATOM 1566 OG SER A 169 -9.193 -5.142 -2.385 1.00 6.71 O ATOM 1567 HG SER A 169 -9.353 -4.993 -3.351 1.00 0.00 H ATOM 1568 H SER A 169 -12.258 -4.672 -0.237 1.00 0.00 H ATOM 1569 N ILE A 170 -9.079 -3.622 0.672 1.00 9.67 N ATOM 1570 CA ILE A 170 -8.003 -2.905 1.370 1.00 10.06 C ATOM 1571 C ILE A 170 -7.807 -3.466 2.783 1.00 10.66 C ATOM 1572 O ILE A 170 -6.657 -3.689 3.189 1.00 11.47 O ATOM 1573 CB ILE A 170 -8.240 -1.329 1.489 1.00 11.07 C ATOM 1574 CG1 ILE A 170 -8.353 -0.612 0.110 1.00 10.62 C ATOM 1575 CG2 ILE A 170 -7.175 -0.665 2.415 1.00 9.79 C ATOM 1576 CD1 ILE A 170 -7.132 -0.589 -0.736 1.00 11.34 C ATOM 1577 H ILE A 170 -9.903 -3.082 0.338 1.00 0.00 H ATOM 1578 N VAL A 171 -8.919 -3.684 3.518 1.00 11.29 N ATOM 1579 CA VAL A 171 -8.893 -4.183 4.904 1.00 10.35 C ATOM 1580 C VAL A 171 -8.212 -5.537 5.010 1.00 9.31 C ATOM 1581 O VAL A 171 -7.266 -5.718 5.781 1.00 8.94 O ATOM 1582 CB VAL A 171 -10.301 -4.214 5.588 1.00 11.08 C ATOM 1583 CG1 VAL A 171 -10.173 -4.878 6.974 1.00 12.04 C ATOM 1584 CG2 VAL A 171 -10.898 -2.787 5.732 1.00 10.03 C ATOM 1585 H VAL A 171 -9.843 -3.489 3.082 1.00 0.00 H ATOM 1586 N VAL A 172 -8.730 -6.493 4.255 1.00 8.73 N ATOM 1587 CA VAL A 172 -8.200 -7.866 4.187 1.00 8.04 C ATOM 1588 C VAL A 172 -6.727 -7.978 3.768 1.00 7.02 C ATOM 1589 O VAL A 172 -5.947 -8.746 4.354 1.00 7.38 O ATOM 1590 CB VAL A 172 -9.129 -8.715 3.264 1.00 7.88 C ATOM 1591 CG1 VAL A 172 -8.515 -10.015 2.828 1.00 9.17 C ATOM 1592 CG2 VAL A 172 -10.384 -8.995 4.004 1.00 9.11 C ATOM 1593 H VAL A 172 -9.561 -6.261 3.675 1.00 0.00 H ATOM 1594 N GLN A 173 -6.337 -7.229 2.739 1.00 7.95 N ATOM 1595 CA GLN A 173 -4.901 -7.151 2.338 1.00 6.99 C ATOM 1596 C GLN A 173 -4.004 -6.676 3.471 1.00 6.30 C ATOM 1597 O GLN A 173 -2.910 -7.225 3.667 1.00 5.81 O ATOM 1598 CB GLN A 173 -4.736 -6.246 1.129 1.00 7.46 C ATOM 1599 CG GLN A 173 -5.281 -6.869 -0.180 1.00 5.99 C ATOM 1600 CD GLN A 173 -5.084 -5.935 -1.346 1.00 4.68 C ATOM 1601 OE1 GLN A 173 -3.967 -5.797 -1.833 1.00 6.25 O ATOM 1602 NE2 GLN A 173 -6.170 -5.299 -1.813 1.00 0.65 N ATOM 1603 HE22 GLN A 173 -7.095 -5.451 -1.363 1.00 0.00 H ATOM 1604 HE21 GLN A 173 -6.086 -4.654 -2.625 1.00 0.00 H ATOM 1605 H GLN A 173 -7.046 -6.688 2.204 1.00 0.00 H ATOM 1606 N HIS A 174 -4.483 -5.663 4.203 1.00 5.66 N ATOM 1607 CA HIS A 174 -3.803 -5.100 5.392 1.00 5.58 C ATOM 1608 C HIS A 174 -3.516 -6.145 6.490 1.00 5.85 C ATOM 1609 O HIS A 174 -2.395 -6.255 6.962 1.00 6.92 O ATOM 1610 CB HIS A 174 -4.598 -3.919 5.934 1.00 4.72 C ATOM 1611 CG HIS A 174 -3.970 -3.264 7.124 1.00 6.37 C ATOM 1612 ND1 HIS A 174 -3.517 -1.962 7.116 1.00 9.07 N ATOM 1613 CD2 HIS A 174 -3.710 -3.727 8.362 1.00 7.27 C ATOM 1614 CE1 HIS A 174 -3.010 -1.652 8.288 1.00 2.82 C ATOM 1615 NE2 HIS A 174 -3.091 -2.716 9.053 1.00 7.98 N ATOM 1616 H HIS A 174 -5.391 -5.244 3.918 1.00 0.00 H ATOM 1617 N GLU A 175 -4.535 -6.915 6.864 1.00 6.62 N ATOM 1618 CA GLU A 175 -4.459 -8.042 7.774 1.00 7.10 C ATOM 1619 C GLU A 175 -3.641 -9.240 7.279 1.00 7.91 C ATOM 1620 O GLU A 175 -2.799 -9.739 8.014 1.00 9.06 O ATOM 1621 CB GLU A 175 -5.877 -8.513 8.176 1.00 7.10 C ATOM 1622 CG GLU A 175 -6.769 -7.478 8.915 1.00 7.73 C ATOM 1623 CD GLU A 175 -6.010 -6.503 9.844 1.00 11.46 C ATOM 1624 OE1 GLU A 175 -5.101 -6.943 10.570 1.00 12.56 O ATOM 1625 OE2 GLU A 175 -6.358 -5.287 9.888 1.00 14.22 O ATOM 1626 H GLU A 175 -5.470 -6.688 6.468 1.00 0.00 H ATOM 1627 N ILE A 176 -3.879 -9.725 6.066 1.00 8.03 N ATOM 1628 CA ILE A 176 -2.996 -10.750 5.502 1.00 8.85 C ATOM 1629 C ILE A 176 -1.520 -10.372 5.546 1.00 9.61 C ATOM 1630 O ILE A 176 -0.662 -11.206 5.815 1.00 11.30 O ATOM 1631 CB ILE A 176 -3.414 -11.175 4.026 1.00 9.53 C ATOM 1632 CG1 ILE A 176 -4.800 -11.793 4.043 1.00 6.45 C ATOM 1633 CG2 ILE A 176 -2.392 -12.230 3.375 1.00 7.59 C ATOM 1634 CD1 ILE A 176 -5.270 -12.206 2.729 1.00 3.80 C ATOM 1635 H ILE A 176 -4.691 -9.378 5.517 1.00 0.00 H ATOM 1636 N ASP A 177 -1.219 -9.114 5.267 1.00 9.58 N ATOM 1637 CA ASP A 177 0.133 -8.633 5.313 1.00 9.33 C ATOM 1638 C ASP A 177 0.752 -8.857 6.681 1.00 9.17 C ATOM 1639 O ASP A 177 1.941 -9.175 6.766 1.00 10.33 O ATOM 1640 CB ASP A 177 0.111 -7.160 5.050 1.00 9.65 C ATOM 1641 CG ASP A 177 0.489 -6.788 3.637 1.00 14.04 C ATOM 1642 OD1 ASP A 177 0.805 -7.672 2.775 1.00 12.82 O ATOM 1643 OD2 ASP A 177 0.512 -5.529 3.411 1.00 20.32 O ATOM 1644 H ASP A 177 -1.982 -8.456 5.008 1.00 0.00 H ATOM 1645 N HIS A 178 -0.027 -8.640 7.745 1.00 7.73 N ATOM 1646 CA HIS A 178 0.416 -8.841 9.129 1.00 6.97 C ATOM 1647 C HIS A 178 0.899 -10.263 9.392 1.00 7.87 C ATOM 1648 O HIS A 178 1.846 -10.468 10.187 1.00 9.94 O ATOM 1649 CB HIS A 178 -0.697 -8.496 10.140 1.00 6.29 C ATOM 1650 CG HIS A 178 -0.772 -7.040 10.513 1.00 4.07 C ATOM 1651 ND1 HIS A 178 0.313 -6.320 10.967 1.00 4.43 N ATOM 1652 CD2 HIS A 178 -1.807 -6.171 10.502 1.00 5.88 C ATOM 1653 CE1 HIS A 178 -0.047 -5.082 11.231 1.00 4.06 C ATOM 1654 NE2 HIS A 178 -1.330 -4.958 10.943 1.00 5.75 N ATOM 1655 H HIS A 178 -1.000 -8.311 7.583 1.00 0.00 H ATOM 1656 N ILE A 179 0.268 -11.250 8.743 1.00 6.29 N ATOM 1657 CA ILE A 179 0.615 -12.667 8.980 1.00 5.04 C ATOM 1658 C ILE A 179 1.805 -13.105 8.099 1.00 5.28 C ATOM 1659 O ILE A 179 2.338 -14.248 8.197 1.00 3.76 O ATOM 1660 CB ILE A 179 -0.603 -13.615 8.901 1.00 3.72 C ATOM 1661 CG1 ILE A 179 -1.261 -13.558 7.513 1.00 3.90 C ATOM 1662 CG2 ILE A 179 -1.595 -13.280 10.033 1.00 1.87 C ATOM 1663 CD1 ILE A 179 -2.385 -14.562 7.326 1.00 4.62 C ATOM 1664 H ILE A 179 -0.480 -11.015 8.060 1.00 0.00 H ATOM 1665 N ASP A 180 2.229 -12.154 7.279 1.00 5.73 N ATOM 1666 CA ASP A 180 3.407 -12.292 6.439 1.00 7.54 C ATOM 1667 C ASP A 180 4.561 -11.404 6.888 1.00 7.42 C ATOM 1668 O ASP A 180 5.620 -11.462 6.268 1.00 10.24 O ATOM 1669 CB ASP A 180 3.070 -11.995 4.983 1.00 7.87 C ATOM 1670 CG ASP A 180 2.187 -13.060 4.339 1.00 13.52 C ATOM 1671 OD1 ASP A 180 2.169 -14.225 4.802 1.00 18.04 O ATOM 1672 OD2 ASP A 180 1.519 -12.750 3.312 1.00 18.69 O ATOM 1673 H ASP A 180 1.692 -11.265 7.234 1.00 0.00 H ATOM 1674 N GLY A 181 4.372 -10.603 7.941 1.00 7.52 N ATOM 1675 CA GLY A 181 5.408 -9.704 8.504 1.00 7.25 C ATOM 1676 C GLY A 181 5.559 -8.388 7.742 1.00 8.14 C ATOM 1677 O GLY A 181 6.559 -7.746 7.826 1.00 8.53 O ATOM 1678 H GLY A 181 3.437 -10.611 8.395 1.00 0.00 H ATOM 1679 N ILE A 182 4.542 -7.993 6.983 1.00 8.69 N ATOM 1680 CA ILE A 182 4.542 -6.762 6.217 1.00 9.40 C ATOM 1681 C ILE A 182 3.689 -5.706 6.963 1.00 10.35 C ATOM 1682 O ILE A 182 2.578 -6.005 7.429 1.00 10.28 O ATOM 1683 CB ILE A 182 4.112 -7.039 4.736 1.00 8.35 C ATOM 1684 CG1 ILE A 182 5.112 -8.000 4.079 1.00 8.85 C ATOM 1685 CG2 ILE A 182 4.070 -5.766 3.917 1.00 10.62 C ATOM 1686 CD1 ILE A 182 4.491 -8.834 2.945 1.00 11.23 C ATOM 1687 H ILE A 182 3.699 -8.601 6.936 1.00 0.00 H ATOM 1688 N MET A 183 4.279 -4.513 7.143 1.00 11.81 N ATOM 1689 CA MET A 183 3.662 -3.306 7.741 1.00 12.55 C ATOM 1690 C MET A 183 3.181 -2.330 6.652 1.00 12.89 C ATOM 1691 O MET A 183 3.740 -2.292 5.583 1.00 13.74 O ATOM 1692 CB MET A 183 4.675 -2.589 8.641 1.00 14.49 C ATOM 1693 CG MET A 183 5.183 -3.417 9.856 1.00 14.83 C ATOM 1694 SD MET A 183 3.890 -3.743 11.052 1.00 24.47 S ATOM 1695 CE MET A 183 3.696 -2.152 11.881 1.00 18.69 C ATOM 1696 H MET A 183 5.268 -4.428 6.832 1.00 0.00 H ATOM 1697 N PHE A 184 2.173 -1.512 6.941 1.00 12.76 N ATOM 1698 CA PHE A 184 1.520 -0.757 5.907 1.00 11.93 C ATOM 1699 C PHE A 184 2.462 0.179 5.237 1.00 12.87 C ATOM 1700 O PHE A 184 2.429 0.356 4.014 1.00 13.65 O ATOM 1701 CB PHE A 184 0.236 -0.066 6.432 1.00 11.77 C ATOM 1702 CG PHE A 184 0.471 1.080 7.352 1.00 11.15 C ATOM 1703 CD1 PHE A 184 0.488 2.392 6.860 1.00 10.14 C ATOM 1704 CD2 PHE A 184 0.647 0.875 8.717 1.00 10.17 C ATOM 1705 CE1 PHE A 184 0.669 3.480 7.737 1.00 9.40 C ATOM 1706 CE2 PHE A 184 0.886 1.960 9.583 1.00 4.14 C ATOM 1707 CZ PHE A 184 0.874 3.244 9.100 1.00 6.45 C ATOM 1708 H PHE A 184 1.854 -1.418 7.926 1.00 0.00 H ATOM 1709 N TYR A 185 3.354 0.764 6.012 1.00 13.75 N ATOM 1710 CA TYR A 185 4.264 1.757 5.431 1.00 14.59 C ATOM 1711 C TYR A 185 5.323 1.183 4.462 1.00 15.04 C ATOM 1712 O TYR A 185 6.050 1.927 3.802 1.00 16.13 O ATOM 1713 CB TYR A 185 4.849 2.665 6.536 1.00 15.31 C ATOM 1714 CG TYR A 185 5.430 1.912 7.701 1.00 14.62 C ATOM 1715 CD1 TYR A 185 4.779 1.892 8.917 1.00 14.20 C ATOM 1716 CD2 TYR A 185 6.639 1.211 7.578 1.00 13.51 C ATOM 1717 CE1 TYR A 185 5.317 1.202 9.990 1.00 15.60 C ATOM 1718 CE2 TYR A 185 7.180 0.517 8.635 1.00 14.21 C ATOM 1719 CZ TYR A 185 6.513 0.527 9.845 1.00 15.87 C ATOM 1720 OH TYR A 185 7.019 -0.171 10.925 1.00 18.02 O ATOM 1721 HH TYR A 185 6.418 -0.054 11.703 1.00 0.00 H ATOM 1722 H TYR A 185 3.412 0.524 7.022 1.00 0.00 H ATOM 1723 N ASP A 186 5.390 -0.139 4.359 1.00 15.00 N ATOM 1724 CA ASP A 186 6.252 -0.821 3.373 1.00 15.34 C ATOM 1725 C ASP A 186 5.699 -0.644 1.912 1.00 14.88 C ATOM 1726 O ASP A 186 6.395 -0.961 0.915 1.00 15.71 O ATOM 1727 CB ASP A 186 6.365 -2.343 3.709 1.00 14.19 C ATOM 1728 CG ASP A 186 7.057 -2.662 5.089 1.00 15.34 C ATOM 1729 OD1 ASP A 186 7.642 -1.798 5.790 1.00 15.82 O ATOM 1730 OD2 ASP A 186 7.033 -3.852 5.473 1.00 15.80 O ATOM 1731 H ASP A 186 4.811 -0.719 5.000 1.00 0.00 H ATOM 1732 N ARG A 187 4.428 -0.228 1.799 1.00 13.51 N ATOM 1733 CA ARG A 187 3.747 -0.061 0.512 1.00 11.99 C ATOM 1734 C ARG A 187 3.459 1.403 0.243 1.00 12.51 C ATOM 1735 O ARG A 187 2.585 1.706 -0.566 1.00 13.16 O ATOM 1736 CB ARG A 187 2.425 -0.843 0.466 1.00 11.89 C ATOM 1737 CG ARG A 187 2.479 -2.297 0.963 1.00 10.66 C ATOM 1738 CD ARG A 187 1.354 -3.109 0.450 1.00 10.91 C ATOM 1739 NE ARG A 187 1.483 -4.514 0.835 1.00 14.07 N ATOM 1740 CZ ARG A 187 2.132 -5.450 0.132 1.00 15.10 C ATOM 1741 NH1 ARG A 187 2.723 -5.152 -1.018 1.00 14.09 N ATOM 1742 NH2 ARG A 187 2.215 -6.689 0.595 1.00 13.30 N ATOM 1743 HE ARG A 187 1.035 -4.809 1.726 1.00 0.00 H ATOM 1744 HH12 ARG A 187 3.223 -5.891 -1.552 1.00 0.00 H ATOM 1745 HH11 ARG A 187 2.686 -4.180 -1.385 1.00 0.00 H ATOM 1746 HH22 ARG A 187 2.719 -7.416 0.048 1.00 0.00 H ATOM 1747 HH21 ARG A 187 1.776 -6.935 1.505 1.00 0.00 H ATOM 1748 H ARG A 187 3.900 -0.013 2.669 1.00 0.00 H ATOM 1749 N ILE A 188 4.160 2.296 0.962 1.00 13.16 N ATOM 1750 CA ILE A 188 4.143 3.744 0.755 1.00 14.29 C ATOM 1751 C ILE A 188 5.467 4.129 0.034 1.00 17.60 C ATOM 1752 O ILE A 188 6.581 3.672 0.421 1.00 15.62 O ATOM 1753 CB ILE A 188 3.923 4.602 2.073 1.00 14.26 C ATOM 1754 CG1 ILE A 188 2.598 4.287 2.765 1.00 12.43 C ATOM 1755 CG2 ILE A 188 3.944 6.122 1.755 1.00 14.72 C ATOM 1756 CD1 ILE A 188 2.524 4.832 4.179 1.00 12.67 C ATOM 1757 H ILE A 188 4.762 1.929 1.726 1.00 0.00 H ATOM 1758 N ASN A 189 5.323 4.937 -1.035 1.00 20.82 N ATOM 1759 CA ASN A 189 6.442 5.373 -1.889 1.00 23.64 C ATOM 1760 C ASN A 189 7.503 6.043 -1.007 1.00 26.58 C ATOM 1761 O ASN A 189 7.183 6.922 -0.155 1.00 27.45 O ATOM 1762 CB ASN A 189 5.896 6.342 -2.938 1.00 24.91 C ATOM 1763 CG ASN A 189 6.943 6.794 -4.001 1.00 27.34 C ATOM 1764 OD1 ASN A 189 7.966 7.435 -3.712 1.00 28.14 O ATOM 1765 ND2 ASN A 189 6.624 6.515 -5.239 1.00 27.39 N ATOM 1766 HD22 ASN A 189 5.759 5.976 -5.444 1.00 0.00 H ATOM 1767 HD21 ASN A 189 7.236 6.833 -6.018 1.00 0.00 H ATOM 1768 H ASN A 189 4.367 5.272 -1.271 1.00 0.00 H ATOM 1769 N GLU A 190 8.750 5.611 -1.212 1.00 28.44 N ATOM 1770 CA GLU A 190 9.899 5.953 -0.373 1.00 31.24 C ATOM 1771 C GLU A 190 10.275 7.419 -0.529 1.00 34.32 C ATOM 1772 O GLU A 190 10.699 8.048 0.437 1.00 36.61 O ATOM 1773 CB GLU A 190 11.086 5.084 -0.779 1.00 31.00 C ATOM 1774 CG GLU A 190 11.505 3.856 0.057 1.00 31.15 C ATOM 1775 CD GLU A 190 10.564 3.408 1.167 1.00 30.75 C ATOM 1776 OE1 GLU A 190 9.841 2.376 1.060 1.00 29.87 O ATOM 1777 OE2 GLU A 190 10.594 4.078 2.202 1.00 32.19 O ATOM 1778 H GLU A 190 8.916 4.986 -2.027 1.00 0.00 H ATOM 1779 N LYS A 191 10.138 7.960 -1.740 1.00 35.98 N ATOM 1780 CA LYS A 191 10.530 9.348 -2.024 1.00 37.57 C ATOM 1781 C LYS A 191 9.362 10.360 -1.962 1.00 38.47 C ATOM 1782 O LYS A 191 9.498 11.415 -1.324 1.00 40.85 O ATOM 1783 CB LYS A 191 11.325 9.450 -3.362 1.00 37.58 C ATOM 1784 H LYS A 191 9.741 7.382 -2.508 1.00 0.00 H ATOM 1785 N ASN A 192 8.232 10.063 -2.614 1.00 37.21 N ATOM 1786 CA ASN A 192 7.010 10.876 -2.463 1.00 36.05 C ATOM 1787 C ASN A 192 5.845 10.066 -1.926 1.00 33.77 C ATOM 1788 O ASN A 192 5.282 9.279 -2.661 1.00 34.44 O ATOM 1789 CB ASN A 192 6.586 11.444 -3.806 1.00 36.92 C ATOM 1790 CG ASN A 192 5.505 12.547 -3.670 1.00 39.39 C ATOM 1791 OD1 ASN A 192 5.061 12.911 -2.555 1.00 35.50 O ATOM 1792 ND2 ASN A 192 5.088 13.096 -4.829 1.00 40.56 N ATOM 1793 HD22 ASN A 192 5.482 12.765 -5.733 1.00 0.00 H ATOM 1794 HD21 ASN A 192 4.372 13.851 -4.819 1.00 0.00 H ATOM 1795 H ASN A 192 8.215 9.236 -3.245 1.00 0.00 H ATOM 1796 N PRO A 193 5.467 10.249 -0.652 1.00 32.32 N ATOM 1797 CA PRO A 193 4.348 9.497 -0.074 1.00 29.65 C ATOM 1798 C PRO A 193 3.036 9.555 -0.867 1.00 29.50 C ATOM 1799 O PRO A 193 2.223 8.614 -0.784 1.00 28.97 O ATOM 1800 CB PRO A 193 4.151 10.153 1.295 1.00 29.71 C ATOM 1801 CG PRO A 193 5.497 10.761 1.622 1.00 32.33 C ATOM 1802 CD PRO A 193 6.100 11.171 0.326 1.00 33.11 C ATOM 1803 N PHE A 194 2.818 10.667 -1.577 1.00 30.46 N ATOM 1804 CA PHE A 194 1.590 10.974 -2.331 1.00 30.27 C ATOM 1805 C PHE A 194 1.768 10.890 -3.862 1.00 31.22 C ATOM 1806 O PHE A 194 0.967 11.449 -4.618 1.00 31.97 O ATOM 1807 CB PHE A 194 1.031 12.342 -1.904 1.00 30.72 C ATOM 1808 CG PHE A 194 0.658 12.383 -0.443 1.00 32.08 C ATOM 1809 CD1 PHE A 194 -0.480 11.684 0.026 1.00 30.29 C ATOM 1810 CD2 PHE A 194 1.478 13.040 0.487 1.00 31.60 C ATOM 1811 CE1 PHE A 194 -0.785 11.656 1.383 1.00 31.11 C ATOM 1812 CE2 PHE A 194 1.157 13.035 1.869 1.00 27.95 C ATOM 1813 CZ PHE A 194 0.024 12.361 2.302 1.00 29.55 C ATOM 1814 H PHE A 194 3.580 11.375 -1.599 1.00 0.00 H ATOM 1815 N ALA A 195 2.804 10.171 -4.292 1.00 31.03 N ATOM 1816 CA ALA A 195 3.002 9.856 -5.669 1.00 32.58 C ATOM 1817 C ALA A 195 1.816 9.026 -6.146 1.00 32.78 C ATOM 1818 O ALA A 195 1.482 7.991 -5.541 1.00 32.96 O ATOM 1819 CB ALA A 195 4.315 9.093 -5.864 1.00 31.55 C ATOM 1820 H ALA A 195 3.496 9.826 -3.596 1.00 0.00 H ATOM 1821 N VAL A 196 1.164 9.498 -7.206 1.00 33.71 N ATOM 1822 CA VAL A 196 0.111 8.764 -7.883 1.00 33.82 C ATOM 1823 C VAL A 196 0.603 8.268 -9.253 1.00 34.64 C ATOM 1824 O VAL A 196 0.764 9.060 -10.179 1.00 36.27 O ATOM 1825 CB VAL A 196 -1.134 9.634 -8.089 1.00 34.19 C ATOM 1826 CG1 VAL A 196 -2.168 8.844 -8.784 1.00 35.74 C ATOM 1827 CG2 VAL A 196 -1.693 10.096 -6.762 1.00 34.65 C ATOM 1828 H VAL A 196 1.422 10.439 -7.567 1.00 0.00 H ATOM 1829 N LYS A 197 0.872 6.964 -9.369 1.00 34.18 N ATOM 1830 CA LYS A 197 1.032 6.306 -10.672 1.00 34.47 C ATOM 1831 C LYS A 197 -0.342 6.231 -11.354 1.00 33.67 C ATOM 1832 O LYS A 197 -1.364 5.846 -10.744 1.00 32.56 O ATOM 1833 CB LYS A 197 1.603 4.903 -10.474 1.00 33.33 C ATOM 1834 CG LYS A 197 2.405 4.347 -11.628 1.00 35.37 C ATOM 1835 CD LYS A 197 2.561 2.810 -11.555 1.00 36.66 C ATOM 1836 CE LYS A 197 3.492 2.282 -10.413 1.00 43.99 C ATOM 1837 NZ LYS A 197 2.735 1.919 -9.116 1.00 47.83 N ATOM 1838 HZ1 LYS A 197 2.246 2.762 -8.754 1.00 0.00 H ATOM 1839 HZ2 LYS A 197 2.039 1.174 -9.319 1.00 0.00 H ATOM 1840 HZ3 LYS A 197 3.412 1.577 -8.405 1.00 0.00 H ATOM 1841 H LYS A 197 0.972 6.394 -8.505 1.00 0.00 H ATOM 1842 N GLU A 198 -0.377 6.648 -12.616 1.00 34.06 N ATOM 1843 CA GLU A 198 -1.612 6.644 -13.431 1.00 32.60 C ATOM 1844 C GLU A 198 -2.339 5.295 -13.405 1.00 29.89 C ATOM 1845 O GLU A 198 -1.712 4.233 -13.542 1.00 28.45 O ATOM 1846 CB GLU A 198 -1.237 7.007 -14.852 1.00 34.17 C ATOM 1847 CG GLU A 198 -2.355 7.372 -15.754 1.00 37.09 C ATOM 1848 CD GLU A 198 -1.848 7.495 -17.165 1.00 42.12 C ATOM 1849 OE1 GLU A 198 -2.126 8.516 -17.834 1.00 46.44 O ATOM 1850 OE2 GLU A 198 -1.123 6.584 -17.604 1.00 44.55 O ATOM 1851 H GLU A 198 0.503 6.992 -13.050 1.00 0.00 H ATOM 1852 N GLY A 199 -3.660 5.364 -13.227 1.00 28.20 N ATOM 1853 CA GLY A 199 -4.524 4.200 -13.131 1.00 26.31 C ATOM 1854 C GLY A 199 -4.908 3.859 -11.684 1.00 24.91 C ATOM 1855 O GLY A 199 -5.772 3.006 -11.458 1.00 25.21 O ATOM 1856 H GLY A 199 -4.096 6.305 -13.153 1.00 0.00 H ATOM 1857 N LEU A 200 -4.254 4.498 -10.714 1.00 23.57 N ATOM 1858 CA LEU A 200 -4.463 4.220 -9.299 1.00 22.19 C ATOM 1859 C LEU A 200 -5.838 4.626 -8.856 1.00 23.41 C ATOM 1860 O LEU A 200 -6.164 5.814 -8.895 1.00 24.80 O ATOM 1861 CB LEU A 200 -3.466 4.969 -8.419 1.00 20.87 C ATOM 1862 CG LEU A 200 -3.555 4.730 -6.912 1.00 17.90 C ATOM 1863 CD1 LEU A 200 -3.201 3.319 -6.520 1.00 9.47 C ATOM 1864 CD2 LEU A 200 -2.623 5.747 -6.149 1.00 20.29 C ATOM 1865 H LEU A 200 -3.563 5.228 -10.979 1.00 0.00 H ATOM 1866 N LEU A 201 -6.610 3.643 -8.398 1.00 23.27 N ATOM 1867 CA LEU A 201 -7.915 3.886 -7.799 1.00 24.33 C ATOM 1868 C LEU A 201 -7.780 4.464 -6.383 1.00 25.44 C ATOM 1869 O LEU A 201 -7.417 3.763 -5.424 1.00 25.80 O ATOM 1870 CB LEU A 201 -8.755 2.585 -7.818 1.00 23.07 C ATOM 1871 CG LEU A 201 -10.258 2.663 -7.585 1.00 23.99 C ATOM 1872 CD1 LEU A 201 -10.958 3.526 -8.677 1.00 24.10 C ATOM 1873 CD2 LEU A 201 -10.797 1.251 -7.582 1.00 22.21 C ATOM 1874 H LEU A 201 -6.268 2.664 -8.471 1.00 0.00 H ATOM 1875 N ILE A 202 -8.081 5.747 -6.245 1.00 28.07 N ATOM 1876 CA ILE A 202 -8.090 6.398 -4.942 1.00 29.01 C ATOM 1877 C ILE A 202 -9.500 6.269 -4.300 1.00 30.51 C ATOM 1878 O ILE A 202 -10.471 6.764 -4.829 1.00 32.07 O ATOM 1879 CB ILE A 202 -7.551 7.879 -5.056 1.00 30.26 C ATOM 1880 CG1 ILE A 202 -6.074 7.883 -5.539 1.00 28.15 C ATOM 1881 CG2 ILE A 202 -7.725 8.624 -3.737 1.00 30.03 C ATOM 1882 CD1 ILE A 202 -5.477 9.246 -5.786 1.00 30.58 C ATOM 1883 H ILE A 202 -8.317 6.305 -7.090 1.00 0.00 H ATOM 1884 N LEU A 203 -9.608 5.564 -3.173 1.00 30.92 N ATOM 1885 CA LEU A 203 -10.895 5.358 -2.493 1.00 31.85 C ATOM 1886 C LEU A 203 -11.246 6.439 -1.416 1.00 34.12 C ATOM 1887 O LEU A 203 -10.500 6.667 -0.471 1.00 33.50 O ATOM 1888 CB LEU A 203 -10.941 3.922 -1.935 1.00 30.27 C ATOM 1889 CG LEU A 203 -10.587 2.842 -2.985 1.00 27.35 C ATOM 1890 CD1 LEU A 203 -10.203 1.509 -2.411 1.00 21.21 C ATOM 1891 CD2 LEU A 203 -11.739 2.670 -3.946 1.00 27.27 C ATOM 1892 H LEU A 203 -8.750 5.145 -2.760 1.00 0.00 H ATOM 1893 N GLU A 204 -12.393 7.102 -1.559 1.00 38.46 N ATOM 1894 CA GLU A 204 -12.717 8.301 -0.736 1.00 41.90 C ATOM 1895 C GLU A 204 -13.343 7.988 0.614 1.00 42.64 C ATOM 1896 O GLU A 204 -12.865 7.078 1.323 1.00 42.82 O ATOM 1897 CB GLU A 204 -13.553 9.329 -1.527 1.00 44.25 C ATOM 1898 CG GLU A 204 -12.791 9.941 -2.783 1.00 47.87 C ATOM 1899 CD GLU A 204 -11.504 10.730 -2.394 1.00 52.86 C ATOM 1900 OE1 GLU A 204 -10.598 10.939 -3.257 1.00 54.09 O ATOM 1901 OE2 GLU A 204 -11.389 11.147 -1.212 1.00 55.08 O ATOM 1902 OXT GLU A 204 -14.268 8.605 0.973 1.00100.93 O ATOM 1903 H GLU A 204 -13.082 6.773 -2.265 1.00 0.00 H TER 1904 GLU A 204 HETATM 1905 ZN ZN A 1 -2.763 -3.330 11.081 1.00 20.97 ZN HETATM 1906 ZN ZN A 2 -19.247 -7.379 24.555 1.00 25.28 ZN HETATM 1907 ZN ZN A 3 0.443 -11.178 -8.302 1.00 29.84 ZN HETATM 1908 ZN ZN A 4 9.567 3.913 3.763 1.00 23.71 ZN HETATM 1909 ZN ZN A 5 -0.134 -9.105 -3.577 1.00 21.61 ZN HETATM 1910 ZN ZN A 6 -5.447 -7.756 28.348 1.00 62.49 ZN HETATM 1911 ZN ZN A 7 -16.651 -21.300 20.361 1.00 62.04 ZN HETATM 1912 ZN ZN A 8 -7.333 -22.578 -4.718 1.00 38.73 ZN HETATM 1913 ZN ZN A 9 4.907 -24.915 9.458 1.00 77.41 ZN HETATM 1914 O HOH 10 6.699 -25.245 11.902 1.00 40.65 O HETATM 1915 O HOH 11 -4.784 -26.139 15.313 1.00 32.97 O HETATM 1916 O HOH 12 -4.789 -22.792 -1.708 1.00 31.48 O HETATM 1917 O HOH 13 -16.169 -25.254 18.495 1.00 37.75 O HETATM 1918 O HOH 14 6.867 -11.976 22.441 1.00 16.50 O HETATM 1919 O HOH 15 -14.353 -26.117 20.346 1.00 24.21 O HETATM 1920 O HOH 16 3.991 -13.467 13.670 1.00 11.93 O HETATM 1921 O HOH 17 -5.947 -3.822 30.495 1.00 42.23 O HETATM 1922 O HOH 18 -13.214 2.460 8.539 1.00 37.00 O HETATM 1923 O HOH 19 0.104 -3.732 5.140 1.00 5.89 O HETATM 1924 O HOH 20 -18.589 -22.965 7.762 1.00 33.22 O HETATM 1925 O HOH 21 2.008 -2.307 -2.796 1.00 36.98 O HETATM 1926 O HOH 22 -16.572 -13.205 19.203 1.00 25.36 O HETATM 1927 O HOH 23 2.483 6.051 -4.406 1.00 27.52 O HETATM 1928 O HOH 24 8.286 2.454 4.731 1.00 21.41 O HETATM 1929 O HOH 25 3.510 -12.491 11.154 1.00 11.07 O HETATM 1930 O HOH 26 -1.684 -4.990 -0.451 1.00 13.94 O HETATM 1931 O HOH 27 -12.053 -9.660 23.573 1.00 8.54 O HETATM 1932 O HOH 28 2.688 5.893 -1.775 1.00 15.09 O HETATM 1933 O HOH 29 -22.473 -1.766 25.003 1.00 28.64 O HETATM 1934 O HOH 30 2.870 -7.546 10.945 1.00 15.94 O HETATM 1935 O HOH 31 3.032 -16.310 3.563 1.00 20.52 O HETATM 1936 O HOH 32 -33.844 7.296 2.608 1.00 16.61 O HETATM 1937 O HOH 33 -2.342 -4.851 -8.247 1.00 4.22 O HETATM 1938 O HOH 34 6.495 -9.937 23.103 1.00 38.13 O HETATM 1939 O HOH 35 11.306 -10.512 13.306 1.00 23.72 O HETATM 1940 O HOH 36 -0.884 -10.195 23.725 1.00 30.20 O HETATM 1941 O HOH 37 -28.573 -2.850 10.226 1.00 25.85 O HETATM 1942 O HOH 38 9.289 0.174 5.108 1.00 13.49 O HETATM 1943 O HOH 39 -3.150 -24.279 20.375 1.00 35.10 O HETATM 1944 O HOH 40 -17.403 -23.573 1.065 1.00 22.86 O HETATM 1945 O HOH 41 -17.628 -17.624 1.913 1.00 26.81 O HETATM 1946 O HOH 42 0.896 -10.274 2.094 1.00 14.83 O HETATM 1947 O HOH 43 -19.570 -15.537 6.890 1.00 50.17 O HETATM 1948 O HOH 44 -10.372 -7.371 -11.803 1.00 28.97 O HETATM 1949 O HOH 45 -4.677 1.951 1.175 1.00 10.06 O HETATM 1950 O HOH 46 -12.525 -6.712 23.894 1.00 11.52 O HETATM 1951 O HOH 47 10.392 0.240 2.656 1.00 28.59 O HETATM 1952 O HOH 48 -1.714 -13.699 0.446 1.00 15.74 O HETATM 1953 O HOH 49 6.060 -17.819 13.416 1.00 29.74 O HETATM 1954 O HOH 50 -14.766 -12.897 25.846 1.00 38.80 O HETATM 1955 O HOH 51 5.167 3.357 16.852 1.00 21.89 O HETATM 1956 O HOH 52 -27.545 2.804 4.488 1.00 21.16 O HETATM 1957 O HOH 53 -7.067 -0.560 26.378 1.00 21.70 O HETATM 1958 O HOH 54 -3.556 4.761 1.542 1.00 18.14 O HETATM 1959 O HOH 55 -11.971 -26.926 13.415 1.00 23.20 O HETATM 1960 O HOH 56 8.786 -5.155 14.338 1.00 23.39 O HETATM 1961 O HOH 57 -18.719 -16.425 9.002 1.00 23.38 O HETATM 1962 O HOH 58 -12.541 -2.071 -8.337 1.00 28.05 O HETATM 1963 O HOH 59 -20.115 -3.077 17.814 1.00 20.16 O HETATM 1964 O HOH 60 -0.725 6.357 5.323 1.00 18.90 O HETATM 1965 O HOH 61 8.010 -10.836 20.913 1.00 38.27 O HETATM 1966 O HOH 62 -17.319 -1.581 2.848 1.00 26.04 O HETATM 1967 O HOH 63 -0.041 -4.870 7.496 1.00 10.16 O HETATM 1968 O HOH 64 5.234 8.001 4.799 1.00 18.98 O HETATM 1969 O HOH 65 -21.805 0.376 17.044 1.00 38.20 O HETATM 1970 O HOH 66 -14.477 -18.406 11.455 1.00 21.96 O HETATM 1971 O HOH 67 -13.527 4.371 30.714 1.00 11.85 O HETATM 1972 O HOH 68 0.046 2.233 -8.380 1.00 25.51 O HETATM 1973 O HOH 69 -23.314 -1.221 11.325 1.00 31.59 O HETATM 1974 O HOH 70 -11.326 5.905 27.357 1.00 44.51 O HETATM 1975 O HOH 71 2.818 -19.797 7.041 1.00 28.33 O HETATM 1976 O HOH 72 -3.353 0.979 -10.911 1.00 16.83 O HETATM 1977 O HOH 73 -29.802 2.727 5.247 1.00 26.56 O HETATM 1978 O HOH 74 -19.325 -2.483 33.336 1.00 17.72 O HETATM 1979 O HOH 75 -5.072 -21.083 2.453 1.00 25.98 O HETATM 1980 O HOH 76 -1.952 10.169 4.457 1.00 33.98 O HETATM 1981 O HOH 77 -10.629 12.252 2.471 1.00 43.09 O HETATM 1982 O HOH 78 1.442 -3.526 24.702 1.00 27.47 O HETATM 1983 O HOH 79 3.074 -22.086 7.964 1.00 21.32 O HETATM 1984 O HOH 80 -2.424 -18.938 4.740 1.00 27.83 O HETATM 1985 O HOH 81 -33.348 4.784 2.800 1.00 19.30 O HETATM 1986 O HOH 82 0.525 -2.636 9.015 1.00 17.13 O HETATM 1987 O HOH 83 -2.611 8.631 6.946 1.00 27.45 O HETATM 1988 O HOH 84 -3.207 -10.143 -11.950 1.00 28.53 O HETATM 1989 O HOH 85 -1.261 4.366 13.000 1.00 23.96 O HETATM 1990 O HOH 86 -1.089 9.344 -20.405 1.00 25.51 O HETATM 1991 O HOH 87 -29.188 6.865 14.295 1.00 33.59 O HETATM 1992 O HOH 88 3.415 -20.053 16.068 1.00 16.75 O HETATM 1993 O HOH 89 -10.080 -28.484 6.833 1.00 32.70 O HETATM 1994 O HOH 90 9.435 3.780 -3.431 1.00 25.86 O HETATM 1995 O HOH 91 -12.132 -29.281 11.068 1.00 31.67 O HETATM 1996 O HOH 92 -11.475 -1.361 -5.342 1.00 36.09 O HETATM 1997 O HOH 93 -0.408 -15.732 -1.612 1.00 37.72 O HETATM 1998 O HOH 94 8.938 -2.266 11.777 1.00 31.23 O HETATM 1999 O HOH 95 1.641 -20.444 3.708 1.00 32.25 O HETATM 2000 O HOH 96 -19.583 -10.898 5.911 1.00 39.85 O HETATM 2001 O HOH 97 0.681 4.811 -7.332 1.00 26.21 O HETATM 2002 O HOH 98 -13.108 -18.434 15.892 1.00 25.09 O HETATM 2003 O HOH 99 -9.441 7.146 -8.507 1.00 27.84 O HETATM 2004 O HOH 100 -10.239 2.107 30.109 1.00 30.22 O HETATM 2005 O HOH 101 5.512 -4.643 22.043 1.00 25.76 O HETATM 2006 O HOH 102 -10.508 -8.100 30.905 1.00 18.97 O HETATM 2007 O HOH 103 -3.849 -23.751 4.196 1.00 32.80 O HETATM 2008 O HOH 104 -27.758 -6.742 9.698 1.00 32.30 O HETATM 2009 O HOH 105 0.248 -2.297 -10.686 1.00 36.56 O HETATM 2010 O HOH 106 1.138 -17.780 23.074 1.00 36.74 O HETATM 2011 O HOH 107 -16.082 -6.346 -1.776 1.00 14.75 O HETATM 2012 O HOH 108 3.485 -12.912 1.016 1.00 38.78 O HETATM 2013 O HOH 109 -13.672 7.296 30.368 1.00 17.11 O HETATM 2014 O HOH 110 -4.913 7.961 -12.282 1.00 22.00 O HETATM 2015 O HOH 111 -14.818 -27.008 2.665 1.00 29.84 O HETATM 2016 O HOH 112 -9.162 -1.867 29.728 1.00 33.62 O HETATM 2017 O HOH 113 -9.350 -11.087 -8.625 1.00 19.32 O HETATM 2018 O HOH 114 -17.110 -13.967 -4.430 1.00 12.54 O HETATM 2019 O HOH 115 4.158 4.683 -5.408 1.00 39.22 O HETATM 2020 O HOH 116 -6.533 -11.309 31.561 1.00 14.35 O HETATM 2021 O HOH 117 2.241 7.663 -13.878 1.00 31.86 O HETATM 2022 O HOH 118 -0.451 -14.944 2.348 1.00 24.00 O HETATM 2023 O HOH 119 -6.153 3.063 26.264 1.00 38.63 O HETATM 2024 O HOH 120 -12.052 -16.756 33.519 1.00 31.83 O HETATM 2025 O HOH 121 -16.515 3.607 18.305 1.00 43.66 O HETATM 2026 O HOH 122 -5.102 -28.843 8.442 1.00 21.42 O HETATM 2027 O HOH 123 -18.536 -17.445 18.039 1.00 36.84 O HETATM 2028 O HOH 124 -9.967 7.010 2.612 1.00 45.54 O HETATM 2029 O HOH 125 -0.569 6.171 10.901 1.00 32.64 O HETATM 2030 O HOH 126 -0.498 -11.007 -4.102 1.00 14.14 O HETATM 2031 O HOH 127 -3.334 10.897 -16.113 1.00 37.32 O HETATM 2032 O HOH 128 -12.415 -27.844 16.703 1.00 31.98 O HETATM 2033 O HOH 129 0.088 5.987 -20.515 1.00 20.15 O HETATM 2034 O HOH 130 -21.587 -2.852 1.210 1.00 32.53 O HETATM 2035 O HOH 131 -23.004 -5.318 2.435 1.00 31.96 O HETATM 2036 O HOH 132 -16.246 -2.848 0.273 1.00 24.00 O HETATM 2037 O HOH 133 0.107 -12.108 -6.197 1.00 25.52 O HETATM 2038 O HOH 134 -23.615 1.512 3.365 1.00 33.62 O HETATM 2039 O HOH 135 4.526 1.939 -3.206 1.00 34.82 O HETATM 2040 O HOH 136 -2.410 -27.478 15.952 1.00 38.66 O HETATM 2041 O HOH 137 -28.276 -0.210 3.021 1.00 30.72 O HETATM 2042 O HOH 138 -3.337 -12.754 -10.247 1.00 16.08 O HETATM 2043 O HOH 139 2.820 11.960 -8.770 1.00 30.81 O HETATM 2044 O HOH 140 -24.267 -8.234 8.169 1.00 20.08 O HETATM 2045 O HOH 141 7.187 -3.700 13.415 1.00 26.15 O HETATM 2046 O HOH 142 12.174 -11.113 10.525 1.00 42.59 O HETATM 2047 O HOH 143 9.669 -16.204 9.767 1.00 21.66 O HETATM 2048 O HOH 144 2.501 -1.983 -6.804 1.00 34.60 O HETATM 2049 O HOH 145 -26.638 1.768 12.181 1.00 40.70 O HETATM 2050 O HOH 146 3.842 -15.046 23.440 1.00 47.32 O HETATM 2051 O HOH 147 -5.359 12.233 5.657 1.00 41.68 O HETATM 2052 O HOH 148 12.142 12.670 0.534 1.00 40.91 O HETATM 2053 O HOH 149 5.844 -15.003 19.062 1.00 37.53 O HETATM 2054 O HOH 150 -13.508 5.618 -6.166 1.00 32.92 O HETATM 2055 O HOH 151 11.419 -5.641 13.988 1.00 28.33 O HETATM 2056 O HOH 152 -26.478 -2.258 3.262 1.00 19.63 O HETATM 2057 O HOH 153 -14.126 -25.111 28.928 1.00 41.88 O HETATM 2058 O HOH 154 -11.967 5.420 4.307 1.00 30.53 O HETATM 2059 O HOH 155 -0.205 -21.952 14.650 1.00 34.43 O HETATM 2060 O HOH 156 10.737 -1.148 14.059 1.00 31.32 O HETATM 2061 O HOH 157 8.350 -6.155 3.114 1.00 44.84 O HETATM 2062 O HOH 158 0.720 -4.923 -3.945 1.00 21.43 O HETATM 2063 O HOH 159 5.360 -27.228 10.259 1.00 33.37 O HETATM 2064 O HOH 160 -20.650 2.884 10.777 1.00 30.43 O HETATM 2065 O HOH 161 -10.049 -24.592 -4.981 1.00 29.49 O HETATM 2066 O HOH 162 -14.526 3.862 1.496 1.00 38.71 O HETATM 2067 O HOH 163 -10.795 -4.763 -15.339 1.00 31.07 O HETATM 2068 O HOH 164 -15.038 -21.803 22.677 1.00 43.48 O HETATM 2069 O HOH 165 -5.988 -21.024 -6.464 1.00 22.44 O HETATM 2070 O HOH 166 -6.324 9.364 -9.748 1.00 35.66 O HETATM 2071 O HOH 167 -14.041 -30.152 7.722 1.00 31.40 O HETATM 2072 O HOH 168 6.859 -14.261 21.133 1.00 32.27 O HETATM 2073 O HOH 169 -19.771 -11.658 17.153 1.00 41.32 O HETATM 2074 O HOH 170 -14.985 7.084 4.423 1.00 37.27 O HETATM 2075 O HOH 171 -18.173 -11.045 18.785 1.00 25.72 O HETATM 2076 O HOH 172 10.541 -22.896 10.211 1.00 31.48 O HETATM 2077 O HOH 173 1.281 -11.551 -10.524 1.00 21.62 O HETATM 2078 O HOH 174 -0.110 -6.328 -9.848 1.00 40.39 O HETATM 2079 O HOH 175 -34.442 -4.880 0.273 1.00 32.32 O HETATM 2080 O HOH 176 -17.721 -4.067 -1.688 1.00 32.55 O HETATM 2081 O HOH 177 10.065 1.655 15.799 1.00 48.41 O HETATM 2082 O HOH 178 -17.330 -13.163 22.057 1.00 34.32 O HETATM 2083 O HOH 179 2.369 -9.597 24.884 1.00 31.85 O HETATM 2084 O HOH 180 6.806 1.072 -2.377 1.00 27.17 O HETATM 2085 O HOH 181 -5.927 6.643 9.012 1.00 32.88 O HETATM 2086 O HOH 182 6.672 6.360 18.009 1.00 33.74 O HETATM 2087 O HOH 183 0.801 -3.568 -5.321 1.00 32.01 O HETATM 2088 O HOH 184 -15.644 -28.950 6.607 1.00 37.30 O HETATM 2089 O HOH 185 -0.962 -13.693 -6.706 1.00 45.58 O HETATM 2090 O HOH 186 0.170 -18.289 1.889 1.00 41.69 O HETATM 2091 O HOH 187 -4.517 -6.016 30.643 1.00 19.32 O HETATM 2092 O HOH 188 -7.512 -18.275 -8.953 1.00 28.19 O HETATM 2093 O HOH 189 -7.805 -23.157 -8.494 1.00 32.03 O HETATM 2094 O HOH 190 -17.631 -14.198 12.695 1.00 25.04 O HETATM 2095 O HOH 191 -18.474 -14.022 3.337 1.00 27.55 O HETATM 2096 O HOH 192 -8.548 -11.020 32.882 1.00 33.88 O HETATM 2097 O HOH 193 -0.892 -8.744 -12.182 1.00 31.56 O HETATM 2098 O HOH 194 -5.684 1.188 27.615 1.00 35.54 O HETATM 2099 O HOH 195 -10.047 5.944 6.002 1.00 39.80 O HETATM 2100 O HOH 196 2.405 -3.957 -7.671 1.00 21.86 O HETATM 2101 O HOH 197 0.678 -19.545 20.337 1.00 37.98 O HETATM 2102 O HOH 198 -8.652 6.180 -12.683 1.00 27.80 O HETATM 2103 O HOH 199 -25.901 -4.175 1.298 1.00 21.00 O HETATM 2104 O HOH 200 -26.580 -1.355 11.631 1.00 32.69 O HETATM 2105 O HOH 201 -7.729 -28.165 5.716 1.00 33.24 O HETATM 2106 O HOH 202 0.037 16.115 -1.123 1.00 39.59 O HETATM 2107 N1 UNN A 203 -5.406 -3.648 11.801 1.00 -0.16 N HETATM 2108 O2 UNN A 203 -4.360 -4.625 11.679 1.00 -0.27 O HETATM 2109 H2 UNN A 203 -4.698 -5.396 11.239 1.00 0.25 H HETATM 2110 C3 UNN A 203 -5.162 -2.456 12.398 1.00 0.21 C HETATM 2111 O4 UNN A 203 -4.068 -2.149 12.867 1.00 -0.40 O HETATM 2112 C5 UNN A 203 -6.349 -1.465 12.439 1.00 0.09 C HETATM 2113 C6 UNN A 203 -6.429 -0.730 11.097 1.00 0.15 C HETATM 2114 C7 UNN A 203 -6.943 -1.647 9.946 1.00 0.02 C HETATM 2115 C17 UNN A 203 -6.993 -1.110 8.711 1.00 -0.02 C HETATM 2116 C18 UNN A 203 -7.435 -1.763 7.636 1.00 -0.11 C HETATM 2117 C21 UNN A 203 -7.311 -0.917 6.601 1.00 -0.13 C HETATM 2118 C20 UNN A 203 -6.796 0.237 7.035 1.00 -0.13 C HETATM 2119 C19 UNN A 203 -6.598 0.115 8.340 1.00 -0.11 C HETATM 2120 H9 UNN A 203 -6.185 0.879 8.997 1.00 0.03 H HETATM 2121 H10 UNN A 203 -6.579 1.115 6.429 1.00 0.03 H HETATM 2122 H11 UNN A 203 -7.587 -1.137 5.571 1.00 0.03 H HETATM 2123 H8 UNN A 203 -7.820 -2.781 7.604 1.00 0.03 H HETATM 2124 H6 UNN A 203 -7.248 -2.676 10.132 1.00 0.16 H HETATM 2125 C12 UNN A 203 -7.470 0.172 11.501 1.00 0.26 C HETATM 2126 O13 UNN A 203 -8.771 0.124 11.287 1.00 -0.13 O HETATM 2127 N15 UNN A 203 -9.265 1.345 11.433 1.00 -0.13 N HETATM 2128 C16 UNN A 203 -8.256 2.145 11.716 1.00 0.07 C HETATM 2129 N14 UNN A 203 -7.135 1.420 11.751 1.00 -0.27 N HETATM 2130 H7 UNN A 203 -8.325 3.217 11.892 1.00 0.09 H HETATM 2131 H5 UNN A 203 -5.490 -0.234 10.810 1.00 0.10 H HETATM 2132 H3 UNN A 203 -6.195 -0.738 13.250 1.00 0.06 H HETATM 2133 H4 UNN A 203 -7.285 -2.017 12.614 1.00 0.06 H HETATM 2134 H1 UNN A 203 -6.318 -3.848 11.444 1.00 0.22 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 85 83 84 1910 CONECT 140 139 1910 CONECT 141 139 1910 CONECT 280 279 1913 CONECT 419 418 1911 CONECT 508 506 507 1906 CONECT 1080 1078 1079 1907 CONECT 1178 1179 1186 1187 1188 CONECT 1186 1178 CONECT 1187 1178 CONECT 1188 1178 CONECT 1313 1311 1312 1909 CONECT 1371 1370 1912 CONECT 1615 1613 1614 1905 CONECT 1654 1652 1653 1905 CONECT 1777 1775 1908 CONECT 1905 1615 1654 CONECT 1906 508 CONECT 1907 1080 CONECT 1908 1777 CONECT 1909 1313 CONECT 1910 85 140 141 CONECT 1911 419 CONECT 1912 1371 CONECT 1913 280 CONECT 2107 2108 2110 2134 CONECT 2108 2107 2109 CONECT 2109 2108 CONECT 2110 2107 2111 2112 CONECT 2111 2110 CONECT 2112 2110 2113 2132 2133 CONECT 2113 2112 2114 2125 2131 CONECT 2114 2113 2115 2124 CONECT 2115 2114 2116 2119 CONECT 2116 2115 2117 2123 CONECT 2117 2116 2118 2122 CONECT 2118 2117 2119 2121 CONECT 2119 2115 2118 2120 CONECT 2120 2119 CONECT 2121 2118 CONECT 2122 2117 CONECT 2123 2116 CONECT 2124 2114 CONECT 2125 2113 2126 2129 CONECT 2126 2125 2127 CONECT 2127 2126 2128 CONECT 2128 2127 2129 2130 CONECT 2129 2125 2128 CONECT 2130 2128 CONECT 2131 2113 CONECT 2132 2112 CONECT 2133 2112 CONECT 2134 2107 MASTER 0 0 0 0 0 0 0 0 2132 2 57 16 END
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Related entries of code: 5jf4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5jf1
RCSB PDB
PDBbind
204aa, >5JF1_1|Chain... *
5jf2
RCSB PDB
PDBbind
204aa, >5JF2_1|Chain... at 100%
5jf3
RCSB PDB
PDBbind
204aa, >5JF3_1|Chain... at 100%
5jf5
RCSB PDB
PDBbind
204aa, >5JF5_1|Chain... at 100%
5jf6
RCSB PDB
PDBbind
204aa, >5JF6_1|Chain... at 100%
5jf7
RCSB PDB
PDBbind
204aa, >5JF7_1|Chain... at 100%
5jf8
RCSB PDB
PDBbind
204aa, >5JF8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5jf4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
type 2 PDF from Streptococcus agalactiae
Ligand Name
6JT
EC.Number
E.C.3.5.1.88
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Ki=65nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 35429-35429
Ligand Properties
Formula
C
1
1
H
1
1
N
3
O
3
Molecular Weight
233.223
Exact Mass
233.080
No. of atoms
28
No. of bonds
29
Polar Surface Area
88.25
LOGP Value
0.57 (
Computed with XLOGP3
)
1.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
ONC(=O)C[C@H](c1ncno1)/C=C/1\C=CC=C1
InChI String
InChI=1S/C11H11N3O3/c15-10(14-16)6-9(11-12-7-13-17-11)5-8-3-1-2-4-8/h1-5,7,9,16H,6H2,(H,14,15)/t9-/m1/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):
Q8E378
Entrez Gene ID
NCBI Entrez Gene ID:
61439046
ASD
Information of known allosteric effects of PDB entries
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