Browse entries in the PDBbind-CN Database
HEADER 5Y7W_COMPLEX COMPND 5Y7W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 ASP ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU GLY SEQRES 2 A 125 ALA HIS MET THR GLY VAL GLU SER PHE MET THR LYS GLN SEQRES 3 A 125 ASP THR THR GLY LYS ILE ILE SER ILE ASP THR SER SER SEQRES 4 A 125 LEU ARG ALA ALA GLY ARG THR GLY TRP GLU ASP LEU VAL SEQRES 5 A 125 ARG LYS CYS ILE TYR ALA PHE PHE GLN PRO GLN GLY ARG SEQRES 6 A 125 GLU PRO SER TYR ALA ARG GLN LEU PHE GLN GLU VAL MET SEQRES 7 A 125 THR ARG GLY THR ALA SER SER PRO SER TYR ARG PHE ILE SEQRES 8 A 125 LEU ASN ASP GLY THR MET LEU SER ALA HIS THR LYS CYS SEQRES 9 A 125 LYS LEU CYS TYR PRO GLN SER PRO ASP MET GLN PRO PHE SEQRES 10 A 125 ILE MET GLY ILE HIS ILE ILE ASP HET LEU A 185 278 ATOM 1 N ASP A 241 35.940 -24.595 -19.784 1.00 60.93 N ATOM 2 CA ASP A 241 36.928 -24.561 -18.716 1.00 43.12 C ATOM 3 C ASP A 241 37.127 -23.137 -18.172 1.00 52.61 C ATOM 4 O ASP A 241 36.282 -22.256 -18.387 1.00 53.59 O ATOM 5 CB ASP A 241 38.257 -25.164 -19.203 1.00 53.12 C ATOM 6 CG ASP A 241 38.868 -24.419 -20.402 1.00 57.53 C ATOM 7 OD1 ASP A 241 39.932 -24.881 -20.877 1.00 57.34 O ATOM 8 OD2 ASP A 241 38.330 -23.382 -20.858 1.00 48.14 O ATOM 9 HN3 ASP A 241 36.255 -23.986 -20.566 1.00 0.00 H ATOM 10 HN2 ASP A 241 35.028 -24.252 -19.422 1.00 0.00 H ATOM 11 HN1 ASP A 241 35.833 -25.572 -20.125 1.00 0.00 H ATOM 12 N ILE A 242 38.245 -22.919 -17.471 1.00 44.88 N ATOM 13 CA ILE A 242 38.454 -21.658 -16.761 1.00 35.28 C ATOM 14 C ILE A 242 38.596 -20.496 -17.746 1.00 44.38 C ATOM 15 O ILE A 242 38.014 -19.423 -17.544 1.00 37.83 O ATOM 16 CB ILE A 242 39.669 -21.770 -15.819 1.00 39.77 C ATOM 17 CG1 ILE A 242 39.361 -22.669 -14.611 1.00 32.13 C ATOM 18 CG2 ILE A 242 40.098 -20.389 -15.320 1.00 26.99 C ATOM 19 CD1 ILE A 242 39.599 -24.137 -14.833 1.00 41.70 C ATOM 20 H ILE A 242 38.976 -23.657 -17.430 1.00 0.00 H ATOM 21 N PHE A 243 39.355 -20.692 -18.829 1.00 43.00 N ATOM 22 CA PHE A 243 39.485 -19.656 -19.855 1.00 41.56 C ATOM 23 C PHE A 243 38.138 -19.317 -20.481 1.00 50.57 C ATOM 24 O PHE A 243 37.817 -18.140 -20.698 1.00 48.22 O ATOM 25 CB PHE A 243 40.461 -20.109 -20.942 1.00 35.46 C ATOM 26 CG PHE A 243 41.898 -19.947 -20.573 1.00 32.94 C ATOM 27 CD1 PHE A 243 42.482 -18.684 -20.535 1.00 26.83 C ATOM 28 CD2 PHE A 243 42.670 -21.050 -20.260 1.00 26.28 C ATOM 29 CE1 PHE A 243 43.820 -18.525 -20.192 1.00 23.49 C ATOM 30 CE2 PHE A 243 44.009 -20.903 -19.922 1.00 29.82 C ATOM 31 CZ PHE A 243 44.588 -19.636 -19.887 1.00 29.93 C ATOM 32 H PHE A 243 39.860 -21.594 -18.944 1.00 0.00 H ATOM 33 N GLU A 244 37.348 -20.343 -20.810 1.00 49.14 N ATOM 34 CA GLU A 244 36.055 -20.111 -21.446 1.00 41.95 C ATOM 35 C GLU A 244 35.130 -19.321 -20.530 1.00 51.68 C ATOM 36 O GLU A 244 34.475 -18.366 -20.963 1.00 59.64 O ATOM 37 CB GLU A 244 35.418 -21.444 -21.838 1.00 57.92 C ATOM 38 H GLU A 244 37.657 -21.316 -20.611 1.00 0.00 H ATOM 39 N ALA A 245 35.079 -19.697 -19.248 1.00 53.27 N ATOM 40 CA ALA A 245 34.232 -19.002 -18.285 1.00 50.92 C ATOM 41 C ALA A 245 34.516 -17.507 -18.246 1.00 49.94 C ATOM 42 O ALA A 245 33.638 -16.712 -17.887 1.00 56.90 O ATOM 43 CB ALA A 245 34.425 -19.612 -16.896 1.00 49.30 C ATOM 44 H ALA A 245 35.656 -20.502 -18.931 1.00 0.00 H ATOM 45 N GLN A 246 35.736 -17.110 -18.610 1.00 50.62 N ATOM 46 CA GLN A 246 36.104 -15.699 -18.650 1.00 49.27 C ATOM 47 C GLN A 246 35.273 -14.921 -19.663 1.00 52.52 C ATOM 48 O GLN A 246 35.080 -13.708 -19.512 1.00 49.18 O ATOM 49 CB GLN A 246 37.581 -15.592 -18.998 1.00 45.76 C ATOM 50 CG GLN A 246 38.359 -14.514 -18.326 1.00 44.42 C ATOM 51 CD GLN A 246 39.831 -14.622 -18.681 1.00 33.39 C ATOM 52 OE1 GLN A 246 40.670 -13.933 -18.112 1.00 33.31 O ATOM 53 NE2 GLN A 246 40.150 -15.508 -19.628 1.00 36.78 N ATOM 54 HE22 GLN A 246 39.405 -16.072 -20.085 1.00 0.00 H ATOM 55 HE21 GLN A 246 41.143 -15.634 -19.909 1.00 0.00 H ATOM 56 H GLN A 246 36.444 -17.825 -18.872 1.00 0.00 H ATOM 57 N LYS A 247 34.792 -15.593 -20.707 1.00 47.24 N ATOM 58 CA LYS A 247 34.084 -14.931 -21.791 1.00 52.31 C ATOM 59 C LYS A 247 32.579 -14.880 -21.574 1.00 53.05 C ATOM 60 O LYS A 247 31.906 -14.073 -22.224 1.00 44.69 O ATOM 61 CB LYS A 247 34.392 -15.635 -23.121 1.00 46.28 C ATOM 62 H LYS A 247 34.927 -16.623 -20.748 1.00 0.00 H ATOM 63 N ILE A 248 32.049 -15.710 -20.668 1.00 45.72 N ATOM 64 CA ILE A 248 30.607 -15.773 -20.414 1.00 51.33 C ATOM 65 C ILE A 248 30.047 -14.384 -20.113 1.00 56.71 C ATOM 66 O ILE A 248 29.114 -13.905 -20.773 1.00 52.95 O ATOM 67 CB ILE A 248 30.310 -16.742 -19.256 1.00 55.71 C ATOM 68 CG1 ILE A 248 30.719 -18.176 -19.615 1.00 51.25 C ATOM 69 CG2 ILE A 248 28.844 -16.650 -18.843 1.00 45.00 C ATOM 70 CD1 ILE A 248 29.673 -18.950 -20.370 1.00 51.77 C ATOM 71 H ILE A 248 32.682 -16.332 -20.125 1.00 0.00 H ATOM 72 N GLU A 249 30.606 -13.722 -19.097 1.00 51.51 N ATOM 73 CA GLU A 249 30.031 -12.467 -18.620 1.00 48.70 C ATOM 74 C GLU A 249 30.068 -11.381 -19.681 1.00 46.80 C ATOM 75 O GLU A 249 29.163 -10.544 -19.747 1.00 38.01 O ATOM 76 CB GLU A 249 30.773 -12.001 -17.374 1.00 52.06 C ATOM 77 CG GLU A 249 32.262 -12.293 -17.406 1.00 62.31 C ATOM 78 CD GLU A 249 32.963 -11.846 -16.136 1.00 72.74 C ATOM 79 OE1 GLU A 249 33.670 -12.676 -15.511 1.00 67.96 O ATOM 80 OE2 GLU A 249 32.793 -10.662 -15.764 1.00 68.79 O ATOM 81 H GLU A 249 31.459 -14.104 -18.641 1.00 0.00 H ATOM 82 N TRP A 250 31.091 -11.380 -20.528 1.00 46.80 N ATOM 83 CA TRP A 250 31.177 -10.337 -21.539 1.00 48.34 C ATOM 84 C TRP A 250 30.296 -10.634 -22.750 1.00 47.69 C ATOM 85 O TRP A 250 29.789 -9.698 -23.380 1.00 41.77 O ATOM 86 CB TRP A 250 32.642 -10.128 -21.928 1.00 52.46 C ATOM 87 CG TRP A 250 33.504 -9.767 -20.713 1.00 50.49 C ATOM 88 CD1 TRP A 250 34.466 -10.540 -20.131 1.00 44.56 C ATOM 89 CD2 TRP A 250 33.439 -8.560 -19.933 1.00 44.85 C ATOM 90 NE1 TRP A 250 35.012 -9.887 -19.053 1.00 54.53 N ATOM 91 CE2 TRP A 250 34.396 -8.672 -18.908 1.00 43.88 C ATOM 92 CE3 TRP A 250 32.664 -7.398 -20.003 1.00 47.40 C ATOM 93 CZ2 TRP A 250 34.604 -7.663 -17.966 1.00 46.80 C ATOM 94 CZ3 TRP A 250 32.873 -6.394 -19.066 1.00 38.56 C ATOM 95 CH2 TRP A 250 33.834 -6.534 -18.064 1.00 36.65 C ATOM 96 HE1 TRP A 250 35.771 -10.256 -18.445 1.00 0.00 H ATOM 97 H TRP A 250 31.823 -12.117 -20.469 1.00 0.00 H ATOM 98 N HIS A 251 30.078 -11.913 -23.077 1.00 42.08 N ATOM 99 CA HIS A 251 29.085 -12.250 -24.094 1.00 41.51 C ATOM 100 C HIS A 251 27.690 -11.847 -23.633 1.00 47.69 C ATOM 101 O HIS A 251 26.871 -11.387 -24.435 1.00 53.49 O ATOM 102 CB HIS A 251 29.124 -13.751 -24.418 1.00 54.99 C ATOM 103 CG HIS A 251 30.310 -14.184 -25.237 1.00 65.54 C ATOM 104 ND1 HIS A 251 31.223 -13.297 -25.772 1.00 60.87 N ATOM 105 CD2 HIS A 251 30.728 -15.419 -25.608 1.00 61.52 C ATOM 106 CE1 HIS A 251 32.153 -13.967 -26.432 1.00 64.71 C ATOM 107 NE2 HIS A 251 31.875 -15.256 -26.348 1.00 71.42 N ATOM 108 H HIS A 251 30.616 -12.668 -22.606 1.00 0.00 H ATOM 109 N GLU A 252 27.403 -12.011 -22.337 1.00 58.99 N ATOM 110 CA GLU A 252 26.099 -11.612 -21.811 1.00 56.48 C ATOM 111 C GLU A 252 25.933 -10.095 -21.837 1.00 50.34 C ATOM 112 O GLU A 252 24.846 -9.591 -22.148 1.00 46.95 O ATOM 113 CB GLU A 252 25.913 -12.156 -20.394 1.00 47.60 C ATOM 114 CG GLU A 252 24.652 -11.664 -19.702 1.00 51.94 C ATOM 115 CD GLU A 252 23.514 -12.659 -19.745 1.00 66.79 C ATOM 116 OE1 GLU A 252 22.787 -12.764 -18.733 1.00 67.87 O ATOM 117 OE2 GLU A 252 23.338 -13.329 -20.789 1.00 82.19 O ATOM 118 H GLU A 252 28.112 -12.425 -21.699 1.00 0.00 H ATOM 119 N GLY A 253 27.005 -9.353 -21.539 1.00 42.50 N ATOM 120 CA GLY A 253 26.958 -7.899 -21.577 1.00 45.40 C ATOM 121 C GLY A 253 26.690 -7.316 -22.952 1.00 46.67 C ATOM 122 O GLY A 253 26.268 -6.159 -23.051 1.00 48.24 O ATOM 123 H GLY A 253 27.893 -9.826 -21.274 1.00 0.00 H ATOM 124 N ALA A 254 26.907 -8.093 -24.014 1.00 47.12 N ATOM 125 CA ALA A 254 26.702 -7.635 -25.383 1.00 53.79 C ATOM 126 C ALA A 254 25.293 -7.890 -25.906 1.00 49.74 C ATOM 127 O ALA A 254 25.006 -7.532 -27.054 1.00 56.23 O ATOM 128 CB ALA A 254 27.715 -8.306 -26.317 1.00 54.21 C ATOM 129 H ALA A 254 27.237 -9.067 -23.859 1.00 0.00 H ATOM 130 N HIS A 255 24.419 -8.499 -25.106 1.00 52.08 N ATOM 131 CA HIS A 255 23.058 -8.844 -25.515 1.00 52.25 C ATOM 132 C HIS A 255 22.100 -8.678 -24.338 1.00 57.12 C ATOM 133 O HIS A 255 21.307 -9.565 -24.016 1.00 48.12 O ATOM 134 CB HIS A 255 22.988 -10.271 -26.060 1.00 46.40 C ATOM 135 CG HIS A 255 23.722 -10.465 -27.350 1.00 69.15 C ATOM 136 ND1 HIS A 255 25.041 -10.865 -27.402 1.00 64.58 N ATOM 137 CD2 HIS A 255 23.321 -10.320 -28.636 1.00 65.95 C ATOM 138 CE1 HIS A 255 25.422 -10.952 -28.664 1.00 65.19 C ATOM 139 NE2 HIS A 255 24.397 -10.628 -29.433 1.00 70.08 N ATOM 140 H HIS A 255 24.720 -8.742 -24.141 1.00 0.00 H ATOM 141 N MET A 256 22.165 -7.531 -23.672 1.00 56.18 N ATOM 142 CA MET A 256 21.300 -7.267 -22.528 1.00 57.87 C ATOM 143 C MET A 256 20.055 -6.538 -23.016 1.00 55.87 C ATOM 144 O MET A 256 20.137 -5.407 -23.504 1.00 63.58 O ATOM 145 CB MET A 256 22.035 -6.457 -21.466 1.00 49.63 C ATOM 146 CG MET A 256 23.032 -7.264 -20.658 1.00 38.57 C ATOM 147 SD MET A 256 23.823 -6.228 -19.424 1.00 51.38 S ATOM 148 CE MET A 256 24.214 -4.772 -20.400 1.00 33.63 C ATOM 149 H MET A 256 22.847 -6.806 -23.973 1.00 0.00 H ATOM 150 N THR A 257 18.906 -7.186 -22.893 1.00 52.67 N ATOM 151 CA THR A 257 17.649 -6.555 -23.260 1.00 60.85 C ATOM 152 C THR A 257 17.166 -5.662 -22.121 1.00 59.57 C ATOM 153 O THR A 257 17.194 -6.059 -20.950 1.00 58.35 O ATOM 154 CB THR A 257 16.606 -7.617 -23.607 1.00 61.83 C ATOM 155 OG1 THR A 257 16.772 -8.744 -22.737 1.00 69.45 O ATOM 156 CG2 THR A 257 16.764 -8.068 -25.063 1.00 51.86 C ATOM 157 HG1 THR A 257 16.652 -8.455 -21.798 1.00 0.00 H ATOM 158 H THR A 257 18.903 -8.160 -22.529 1.00 0.00 H ATOM 159 N GLY A 258 16.740 -4.446 -22.468 1.00 45.06 N ATOM 160 CA GLY A 258 16.240 -3.497 -21.498 1.00 38.52 C ATOM 161 C GLY A 258 17.294 -2.682 -20.780 1.00 42.88 C ATOM 162 O GLY A 258 16.941 -1.862 -19.923 1.00 41.63 O ATOM 163 H GLY A 258 16.769 -4.171 -23.471 1.00 0.00 H ATOM 164 N VAL A 259 18.571 -2.871 -21.095 1.00 42.44 N ATOM 165 CA VAL A 259 19.662 -2.153 -20.450 1.00 33.55 C ATOM 166 C VAL A 259 20.452 -1.434 -21.529 1.00 31.30 C ATOM 167 O VAL A 259 20.880 -2.057 -22.505 1.00 32.52 O ATOM 168 CB VAL A 259 20.561 -3.115 -19.655 1.00 43.19 C ATOM 169 CG1 VAL A 259 21.768 -2.389 -19.109 1.00 40.66 C ATOM 170 CG2 VAL A 259 19.760 -3.782 -18.536 1.00 33.31 C ATOM 171 H VAL A 259 18.802 -3.563 -21.836 1.00 0.00 H ATOM 172 N GLU A 260 20.629 -0.125 -21.371 1.00 32.49 N ATOM 173 CA GLU A 260 21.440 0.654 -22.303 1.00 34.61 C ATOM 174 C GLU A 260 22.900 0.597 -21.863 1.00 25.98 C ATOM 175 O GLU A 260 23.239 0.999 -20.742 1.00 21.39 O ATOM 176 CB GLU A 260 20.969 2.109 -22.380 1.00 33.53 C ATOM 177 CG GLU A 260 20.067 2.433 -23.566 1.00 46.99 C ATOM 178 CD GLU A 260 19.732 3.922 -23.666 1.00 58.27 C ATOM 179 OE1 GLU A 260 19.709 4.604 -22.616 1.00 58.55 O ATOM 180 OE2 GLU A 260 19.494 4.410 -24.797 1.00 60.97 O ATOM 181 H GLU A 260 20.179 0.355 -20.565 1.00 0.00 H ATOM 182 N SER A 261 23.766 0.135 -22.752 1.00 23.09 N ATOM 183 CA SER A 261 25.165 -0.001 -22.385 1.00 21.28 C ATOM 184 C SER A 261 26.029 -0.072 -23.637 1.00 25.41 C ATOM 185 O SER A 261 25.540 -0.253 -24.755 1.00 20.17 O ATOM 186 CB SER A 261 25.370 -1.249 -21.528 1.00 17.74 C ATOM 187 OG SER A 261 25.122 -2.384 -22.324 1.00 25.42 O ATOM 188 HG SER A 261 24.191 -2.353 -22.660 1.00 0.00 H ATOM 189 H SER A 261 23.447 -0.129 -23.706 1.00 0.00 H ATOM 190 N PHE A 262 27.338 0.049 -23.420 1.00 19.79 N ATOM 191 CA PHE A 262 28.328 -0.286 -24.426 1.00 16.37 C ATOM 192 C PHE A 262 29.536 -0.839 -23.686 1.00 19.50 C ATOM 193 O PHE A 262 29.636 -0.731 -22.465 1.00 20.05 O ATOM 194 CB PHE A 262 28.674 0.924 -25.319 1.00 19.05 C ATOM 195 CG PHE A 262 29.272 2.093 -24.574 1.00 18.89 C ATOM 196 CD1 PHE A 262 30.647 2.238 -24.465 1.00 17.52 C ATOM 197 CD2 PHE A 262 28.460 3.048 -23.981 1.00 18.01 C ATOM 198 CE1 PHE A 262 31.199 3.308 -23.762 1.00 20.95 C ATOM 199 CE2 PHE A 262 29.017 4.121 -23.293 1.00 22.24 C ATOM 200 CZ PHE A 262 30.383 4.247 -23.180 1.00 12.93 C ATOM 201 H PHE A 262 27.662 0.397 -22.495 1.00 0.00 H ATOM 202 N MET A 263 30.441 -1.466 -24.432 1.00 16.55 N ATOM 203 CA MET A 263 31.622 -2.098 -23.867 1.00 29.13 C ATOM 204 C MET A 263 32.879 -1.560 -24.530 1.00 21.52 C ATOM 205 O MET A 263 32.851 -1.107 -25.675 1.00 23.56 O ATOM 206 CB MET A 263 31.575 -3.616 -24.023 1.00 28.61 C ATOM 207 CG MET A 263 30.703 -4.279 -22.979 1.00 33.94 C ATOM 208 SD MET A 263 30.172 -5.932 -23.448 1.00 41.51 S ATOM 209 CE MET A 263 31.658 -6.848 -23.135 1.00 47.04 C ATOM 210 H MET A 263 30.298 -1.506 -25.461 1.00 0.00 H ATOM 211 N THR A 264 33.978 -1.597 -23.792 1.00 15.67 N ATOM 212 CA THR A 264 35.258 -1.146 -24.302 1.00 19.23 C ATOM 213 C THR A 264 36.303 -2.207 -24.012 1.00 22.02 C ATOM 214 O THR A 264 36.157 -3.018 -23.097 1.00 17.97 O ATOM 215 CB THR A 264 35.712 0.183 -23.679 1.00 26.16 C ATOM 216 OG1 THR A 264 35.719 0.067 -22.248 1.00 23.08 O ATOM 217 CG2 THR A 264 34.805 1.355 -24.120 1.00 24.73 C ATOM 218 HG1 THR A 264 36.343 -0.653 -21.979 1.00 0.00 H ATOM 219 H THR A 264 33.921 -1.960 -22.819 1.00 0.00 H ATOM 220 N LYS A 265 37.364 -2.180 -24.809 1.00 16.76 N ATOM 221 CA LYS A 265 38.542 -3.008 -24.604 1.00 21.57 C ATOM 222 C LYS A 265 39.734 -2.058 -24.531 1.00 17.88 C ATOM 223 O LYS A 265 39.905 -1.215 -25.413 1.00 22.15 O ATOM 224 CB LYS A 265 38.666 -4.035 -25.742 1.00 25.48 C ATOM 225 CG LYS A 265 39.730 -5.102 -25.588 1.00 31.80 C ATOM 226 CD LYS A 265 39.486 -6.292 -26.548 1.00 32.97 C ATOM 227 CE LYS A 265 40.825 -6.869 -27.052 1.00 38.82 C ATOM 228 NZ LYS A 265 40.696 -8.224 -27.674 1.00 48.58 N ATOM 229 HZ1 LYS A 265 40.313 -8.891 -26.973 1.00 0.00 H ATOM 230 HZ2 LYS A 265 40.053 -8.170 -28.490 1.00 0.00 H ATOM 231 HZ3 LYS A 265 41.632 -8.550 -27.989 1.00 0.00 H ATOM 232 H LYS A 265 37.352 -1.533 -25.623 1.00 0.00 H ATOM 233 N GLN A 266 40.492 -2.124 -23.442 1.00 14.61 N ATOM 234 CA GLN A 266 41.690 -1.316 -23.254 1.00 17.19 C ATOM 235 C GLN A 266 42.905 -2.224 -23.204 1.00 22.91 C ATOM 236 O GLN A 266 42.857 -3.312 -22.614 1.00 20.02 O ATOM 237 CB GLN A 266 41.663 -0.511 -21.948 1.00 20.04 C ATOM 238 CG GLN A 266 40.798 0.741 -21.917 1.00 21.80 C ATOM 239 CD GLN A 266 40.554 1.191 -20.482 1.00 25.63 C ATOM 240 OE1 GLN A 266 39.860 0.515 -19.733 1.00 27.75 O ATOM 241 NE2 GLN A 266 41.157 2.303 -20.087 1.00 19.99 N ATOM 242 HE22 GLN A 266 41.737 2.846 -20.758 1.00 0.00 H ATOM 243 HE21 GLN A 266 41.050 2.633 -19.106 1.00 0.00 H ATOM 244 H GLN A 266 40.217 -2.784 -22.687 1.00 0.00 H ATOM 245 N ASP A 267 44.002 -1.771 -23.791 1.00 20.76 N ATOM 246 CA ASP A 267 45.226 -2.494 -23.540 1.00 22.70 C ATOM 247 C ASP A 267 45.685 -2.149 -22.132 1.00 29.84 C ATOM 248 O ASP A 267 45.098 -1.296 -21.451 1.00 21.37 O ATOM 249 CB ASP A 267 46.273 -2.198 -24.618 1.00 24.32 C ATOM 250 CG ASP A 267 46.812 -0.772 -24.579 1.00 32.03 C ATOM 251 OD1 ASP A 267 46.825 -0.121 -23.513 1.00 41.37 O ATOM 252 OD2 ASP A 267 47.248 -0.291 -25.651 1.00 47.64 O ATOM 253 H ASP A 267 43.983 -0.932 -24.405 1.00 0.00 H ATOM 254 N THR A 268 46.763 -2.792 -21.694 1.00 25.38 N ATOM 255 CA THR A 268 47.233 -2.597 -20.333 1.00 26.80 C ATOM 256 C THR A 268 48.037 -1.316 -20.146 1.00 26.06 C ATOM 257 O THR A 268 48.532 -1.084 -19.041 1.00 28.24 O ATOM 258 CB THR A 268 48.047 -3.812 -19.894 1.00 26.48 C ATOM 259 OG1 THR A 268 49.017 -4.105 -20.902 1.00 30.30 O ATOM 260 CG2 THR A 268 47.114 -5.020 -19.723 1.00 23.41 C ATOM 261 HG1 THR A 268 48.555 -4.300 -21.756 1.00 0.00 H ATOM 262 H THR A 268 47.273 -3.438 -22.329 1.00 0.00 H ATOM 263 N THR A 269 48.184 -0.475 -21.172 1.00 26.38 N ATOM 264 CA THR A 269 48.609 0.897 -20.922 1.00 26.66 C ATOM 265 C THR A 269 47.433 1.833 -20.687 1.00 29.66 C ATOM 266 O THR A 269 47.655 3.005 -20.361 1.00 30.05 O ATOM 267 CB THR A 269 49.448 1.454 -22.080 1.00 33.92 C ATOM 268 OG1 THR A 269 48.618 1.613 -23.242 1.00 40.39 O ATOM 269 CG2 THR A 269 50.621 0.534 -22.403 1.00 28.11 C ATOM 270 HG1 THR A 269 48.242 0.734 -23.500 1.00 0.00 H ATOM 271 H THR A 269 47.997 -0.796 -22.143 1.00 0.00 H ATOM 272 N GLY A 270 46.196 1.348 -20.858 1.00 27.17 N ATOM 273 CA GLY A 270 45.003 2.149 -20.692 1.00 23.91 C ATOM 274 C GLY A 270 44.390 2.654 -21.978 1.00 25.06 C ATOM 275 O GLY A 270 43.299 3.241 -21.935 1.00 25.31 O ATOM 276 H GLY A 270 46.088 0.348 -21.123 1.00 0.00 H ATOM 277 N LYS A 271 45.040 2.435 -23.117 1.00 23.79 N ATOM 278 CA LYS A 271 44.525 2.947 -24.381 1.00 27.23 C ATOM 279 C LYS A 271 43.331 2.122 -24.859 1.00 23.12 C ATOM 280 O LYS A 271 43.383 0.892 -24.914 1.00 21.00 O ATOM 281 CB LYS A 271 45.631 2.947 -25.434 1.00 23.55 C ATOM 282 CG LYS A 271 45.140 3.079 -26.857 1.00 27.50 C ATOM 283 CD LYS A 271 46.316 3.333 -27.794 1.00 42.90 C ATOM 284 CE LYS A 271 46.033 2.827 -29.217 1.00 43.48 C ATOM 285 NZ LYS A 271 45.057 3.681 -29.960 1.00 50.10 N ATOM 286 HZ1 LYS A 271 44.153 3.700 -29.446 1.00 0.00 H ATOM 287 HZ2 LYS A 271 45.433 4.648 -30.038 1.00 0.00 H ATOM 288 HZ3 LYS A 271 44.908 3.288 -30.911 1.00 0.00 H ATOM 289 H LYS A 271 45.927 1.892 -23.106 1.00 0.00 H ATOM 290 N ILE A 272 42.257 2.807 -25.228 1.00 16.17 N ATOM 291 CA ILE A 272 41.069 2.122 -25.709 1.00 20.61 C ATOM 292 C ILE A 272 41.348 1.584 -27.098 1.00 26.83 C ATOM 293 O ILE A 272 41.672 2.341 -28.018 1.00 26.90 O ATOM 294 CB ILE A 272 39.856 3.055 -25.725 1.00 17.00 C ATOM 295 CG1 ILE A 272 39.614 3.626 -24.329 1.00 18.65 C ATOM 296 CG2 ILE A 272 38.643 2.301 -26.267 1.00 11.32 C ATOM 297 CD1 ILE A 272 38.557 4.720 -24.300 1.00 22.43 C ATOM 298 H ILE A 272 42.265 3.845 -25.173 1.00 0.00 H ATOM 299 N ILE A 273 41.185 0.278 -27.270 1.00 21.98 N ATOM 300 CA ILE A 273 41.498 -0.345 -28.542 1.00 23.46 C ATOM 301 C ILE A 273 40.260 -0.787 -29.300 1.00 22.61 C ATOM 302 O ILE A 273 40.345 -0.985 -30.521 1.00 30.73 O ATOM 303 CB ILE A 273 42.486 -1.519 -28.370 1.00 30.85 C ATOM 304 CG1 ILE A 273 41.965 -2.544 -27.369 1.00 29.76 C ATOM 305 CG2 ILE A 273 43.851 -1.007 -27.903 1.00 27.98 C ATOM 306 CD1 ILE A 273 43.074 -3.494 -26.863 1.00 34.45 C ATOM 307 H ILE A 273 40.829 -0.304 -26.485 1.00 0.00 H ATOM 308 N SER A 274 39.116 -0.938 -28.644 1.00 18.10 N ATOM 309 CA SER A 274 37.885 -1.122 -29.402 1.00 22.34 C ATOM 310 C SER A 274 36.709 -0.668 -28.553 1.00 20.93 C ATOM 311 O SER A 274 36.787 -0.615 -27.324 1.00 20.62 O ATOM 312 CB SER A 274 37.700 -2.573 -29.860 1.00 27.35 C ATOM 313 OG SER A 274 37.698 -3.459 -28.754 1.00 30.21 O ATOM 314 HG SER A 274 36.956 -3.221 -28.144 1.00 0.00 H ATOM 315 H SER A 274 39.098 -0.925 -27.604 1.00 0.00 H ATOM 316 N ILE A 275 35.623 -0.322 -29.230 1.00 22.65 N ATOM 317 CA ILE A 275 34.385 0.069 -28.571 1.00 23.21 C ATOM 318 C ILE A 275 33.256 -0.690 -29.237 1.00 25.24 C ATOM 319 O ILE A 275 33.074 -0.586 -30.453 1.00 26.70 O ATOM 320 CB ILE A 275 34.127 1.579 -28.651 1.00 24.96 C ATOM 321 CG1 ILE A 275 35.283 2.368 -28.040 1.00 21.63 C ATOM 322 CG2 ILE A 275 32.848 1.917 -27.937 1.00 23.72 C ATOM 323 CD1 ILE A 275 35.053 3.866 -28.094 1.00 26.14 C ATOM 324 H ILE A 275 35.657 -0.330 -30.269 1.00 0.00 H ATOM 325 N ASP A 276 32.504 -1.453 -28.452 1.00 28.38 N ATOM 326 CA ASP A 276 31.399 -2.251 -28.969 1.00 25.85 C ATOM 327 C ASP A 276 30.077 -1.544 -28.681 1.00 30.00 C ATOM 328 O ASP A 276 29.683 -1.384 -27.519 1.00 26.76 O ATOM 329 CB ASP A 276 31.420 -3.650 -28.357 1.00 29.61 C ATOM 330 CG ASP A 276 30.206 -4.487 -28.748 1.00 41.93 C ATOM 331 OD1 ASP A 276 29.481 -4.124 -29.697 1.00 42.02 O ATOM 332 OD2 ASP A 276 29.979 -5.528 -28.101 1.00 60.41 O ATOM 333 H ASP A 276 32.711 -1.482 -27.433 1.00 0.00 H ATOM 334 N THR A 277 29.386 -1.146 -29.748 1.00 31.62 N ATOM 335 CA THR A 277 28.139 -0.397 -29.670 1.00 30.85 C ATOM 336 C THR A 277 26.973 -1.152 -30.289 1.00 31.39 C ATOM 337 O THR A 277 25.955 -0.541 -30.612 1.00 32.78 O ATOM 338 CB THR A 277 28.289 0.947 -30.370 1.00 29.47 C ATOM 339 OG1 THR A 277 28.556 0.713 -31.760 1.00 36.35 O ATOM 340 CG2 THR A 277 29.441 1.733 -29.770 1.00 25.77 C ATOM 341 HG1 THR A 277 27.804 0.207 -32.159 1.00 0.00 H ATOM 342 H THR A 277 29.758 -1.383 -30.690 1.00 0.00 H ATOM 343 N SER A 278 27.097 -2.466 -30.458 1.00 31.45 N ATOM 344 CA SER A 278 26.088 -3.210 -31.201 1.00 38.44 C ATOM 345 C SER A 278 24.748 -3.236 -30.475 1.00 40.49 C ATOM 346 O SER A 278 23.697 -3.307 -31.120 1.00 44.13 O ATOM 347 CB SER A 278 26.582 -4.629 -31.463 1.00 32.36 C ATOM 348 OG SER A 278 26.788 -5.322 -30.245 1.00 46.69 O ATOM 349 HG SER A 278 27.464 -4.842 -29.704 1.00 0.00 H ATOM 350 H SER A 278 27.918 -2.964 -30.058 1.00 0.00 H ATOM 351 N SER A 279 24.760 -3.178 -29.144 1.00 37.97 N ATOM 352 CA SER A 279 23.506 -3.145 -28.401 1.00 40.21 C ATOM 353 C SER A 279 22.761 -1.837 -28.625 1.00 45.10 C ATOM 354 O SER A 279 21.536 -1.838 -28.799 1.00 39.67 O ATOM 355 CB SER A 279 23.772 -3.358 -26.914 1.00 32.48 C ATOM 356 OG SER A 279 23.645 -4.727 -26.610 1.00 52.38 O ATOM 357 HG SER A 279 24.301 -5.244 -27.142 1.00 0.00 H ATOM 358 H SER A 279 25.666 -3.156 -28.634 1.00 0.00 H ATOM 359 N LEU A 280 23.487 -0.714 -28.622 1.00 34.83 N ATOM 360 CA LEU A 280 22.857 0.586 -28.831 1.00 39.16 C ATOM 361 C LEU A 280 22.313 0.726 -30.248 1.00 42.46 C ATOM 362 O LEU A 280 21.202 1.232 -30.443 1.00 49.14 O ATOM 363 CB LEU A 280 23.859 1.705 -28.545 1.00 35.28 C ATOM 364 CG LEU A 280 24.243 1.957 -27.096 1.00 37.79 C ATOM 365 CD1 LEU A 280 25.473 2.858 -27.028 1.00 33.58 C ATOM 366 CD2 LEU A 280 23.072 2.565 -26.340 1.00 29.34 C ATOM 367 H LEU A 280 24.514 -0.768 -28.469 1.00 0.00 H ATOM 368 N ARG A 281 23.088 0.304 -31.253 1.00 44.97 N ATOM 369 CA ARG A 281 22.654 0.459 -32.641 1.00 43.22 C ATOM 370 C ARG A 281 21.473 -0.455 -32.956 1.00 48.01 C ATOM 371 O ARG A 281 20.575 -0.078 -33.720 1.00 53.80 O ATOM 372 CB ARG A 281 23.828 0.193 -33.590 1.00 37.59 C ATOM 373 CG ARG A 281 25.067 1.082 -33.335 1.00 43.90 C ATOM 374 CD ARG A 281 26.236 0.762 -34.283 1.00 44.53 C ATOM 375 NE ARG A 281 26.197 -0.618 -34.775 1.00 54.46 N ATOM 376 CZ ARG A 281 27.045 -1.580 -34.415 1.00 55.92 C ATOM 377 NH1 ARG A 281 26.918 -2.811 -34.914 1.00 53.74 N ATOM 378 NH2 ARG A 281 28.021 -1.317 -33.554 1.00 47.03 N ATOM 379 HE ARG A 281 25.451 -0.865 -35.456 1.00 0.00 H ATOM 380 HH12 ARG A 281 27.583 -3.559 -34.630 1.00 0.00 H ATOM 381 HH11 ARG A 281 26.154 -3.023 -35.587 1.00 0.00 H ATOM 382 HH22 ARG A 281 28.683 -2.068 -33.273 1.00 0.00 H ATOM 383 HH21 ARG A 281 28.123 -0.360 -33.161 1.00 0.00 H ATOM 384 H ARG A 281 24.006 -0.138 -31.046 1.00 0.00 H ATOM 385 N ALA A 282 21.451 -1.656 -32.367 1.00 44.93 N ATOM 386 CA ALA A 282 20.306 -2.548 -32.526 1.00 49.92 C ATOM 387 C ALA A 282 19.039 -1.940 -31.934 1.00 52.39 C ATOM 388 O ALA A 282 17.978 -1.963 -32.568 1.00 62.71 O ATOM 389 CB ALA A 282 20.602 -3.906 -31.886 1.00 51.62 C ATOM 390 H ALA A 282 22.260 -1.958 -31.788 1.00 0.00 H ATOM 391 N ALA A 283 19.128 -1.382 -30.725 1.00 54.22 N ATOM 392 CA ALA A 283 17.976 -0.749 -30.088 1.00 60.91 C ATOM 393 C ALA A 283 17.462 0.480 -30.840 1.00 65.85 C ATOM 394 O ALA A 283 16.544 1.139 -30.339 1.00 68.15 O ATOM 395 CB ALA A 283 18.313 -0.368 -28.644 1.00 55.72 C ATOM 396 H ALA A 283 20.039 -1.398 -30.224 1.00 0.00 H ATOM 397 N GLY A 284 18.027 0.821 -31.998 1.00 60.47 N ATOM 398 CA GLY A 284 17.415 1.793 -32.888 1.00 67.42 C ATOM 399 C GLY A 284 17.238 3.208 -32.369 1.00 75.40 C ATOM 400 O GLY A 284 16.720 4.068 -33.092 1.00 77.62 O ATOM 401 H GLY A 284 18.928 0.380 -32.271 1.00 0.00 H ATOM 402 N ARG A 285 17.642 3.472 -31.129 1.00 71.09 N ATOM 403 CA ARG A 285 17.636 4.841 -30.640 1.00 64.21 C ATOM 404 C ARG A 285 18.654 5.651 -31.427 1.00 65.01 C ATOM 405 O ARG A 285 19.801 5.227 -31.604 1.00 55.69 O ATOM 406 CB ARG A 285 17.951 4.881 -29.147 1.00 57.29 C ATOM 407 H ARG A 285 17.962 2.700 -30.510 1.00 0.00 H ATOM 408 N THR A 286 18.221 6.792 -31.944 1.00 64.93 N ATOM 409 CA THR A 286 19.146 7.697 -32.598 1.00 59.93 C ATOM 410 C THR A 286 19.827 8.566 -31.549 1.00 60.47 C ATOM 411 O THR A 286 19.290 8.799 -30.461 1.00 71.54 O ATOM 412 CB THR A 286 18.423 8.572 -33.623 1.00 61.13 C ATOM 413 OG1 THR A 286 17.440 9.373 -32.955 1.00 60.41 O ATOM 414 CG2 THR A 286 17.746 7.709 -34.681 1.00 52.19 C ATOM 415 HG1 THR A 286 17.886 9.948 -32.284 1.00 0.00 H ATOM 416 H THR A 286 17.213 7.039 -31.880 1.00 0.00 H ATOM 417 N GLY A 287 21.018 9.049 -31.885 1.00 47.97 N ATOM 418 CA GLY A 287 21.830 9.779 -30.940 1.00 37.02 C ATOM 419 C GLY A 287 22.791 8.924 -30.151 1.00 31.49 C ATOM 420 O GLY A 287 23.340 9.403 -29.152 1.00 42.01 O ATOM 421 H GLY A 287 21.374 8.898 -32.851 1.00 0.00 H ATOM 422 N TRP A 288 23.026 7.678 -30.572 1.00 30.47 N ATOM 423 CA TRP A 288 23.907 6.797 -29.811 1.00 30.86 C ATOM 424 C TRP A 288 25.354 7.265 -29.881 1.00 28.88 C ATOM 425 O TRP A 288 26.086 7.171 -28.890 1.00 32.55 O ATOM 426 CB TRP A 288 23.775 5.354 -30.303 1.00 21.46 C ATOM 427 CG TRP A 288 24.192 5.156 -31.727 1.00 33.31 C ATOM 428 CD1 TRP A 288 23.384 5.172 -32.830 1.00 34.44 C ATOM 429 CD2 TRP A 288 25.523 4.915 -32.210 1.00 33.11 C ATOM 430 NE1 TRP A 288 24.130 4.957 -33.966 1.00 37.13 N ATOM 431 CE2 TRP A 288 25.445 4.805 -33.612 1.00 39.60 C ATOM 432 CE3 TRP A 288 26.773 4.787 -31.591 1.00 36.58 C ATOM 433 CZ2 TRP A 288 26.569 4.565 -34.404 1.00 51.18 C ATOM 434 CZ3 TRP A 288 27.889 4.558 -32.381 1.00 33.59 C ATOM 435 CH2 TRP A 288 27.780 4.451 -33.771 1.00 40.24 C ATOM 436 HE1 TRP A 288 23.756 4.916 -34.936 1.00 0.00 H ATOM 437 H TRP A 288 22.579 7.334 -31.446 1.00 0.00 H ATOM 438 N GLU A 289 25.786 7.786 -31.031 1.00 21.66 N ATOM 439 CA GLU A 289 27.165 8.252 -31.133 1.00 28.26 C ATOM 440 C GLU A 289 27.435 9.362 -30.130 1.00 27.60 C ATOM 441 O GLU A 289 28.481 9.373 -29.465 1.00 27.44 O ATOM 442 CB GLU A 289 27.466 8.728 -32.557 1.00 23.92 C ATOM 443 H GLU A 289 25.146 7.859 -31.847 1.00 0.00 H ATOM 444 N ASP A 290 26.494 10.299 -29.996 1.00 29.44 N ATOM 445 CA ASP A 290 26.652 11.374 -29.027 1.00 24.56 C ATOM 446 C ASP A 290 26.619 10.835 -27.603 1.00 27.03 C ATOM 447 O ASP A 290 27.369 11.299 -26.739 1.00 21.20 O ATOM 448 CB ASP A 290 25.555 12.418 -29.228 1.00 27.51 C ATOM 449 CG ASP A 290 25.596 13.521 -28.175 1.00 40.56 C ATOM 450 OD1 ASP A 290 26.652 14.181 -28.039 1.00 41.02 O ATOM 451 OD2 ASP A 290 24.571 13.737 -27.489 1.00 40.94 O ATOM 452 H ASP A 290 25.640 10.261 -30.589 1.00 0.00 H ATOM 453 N LEU A 291 25.755 9.852 -27.340 1.00 25.37 N ATOM 454 CA LEU A 291 25.710 9.252 -26.013 1.00 28.33 C ATOM 455 C LEU A 291 27.066 8.653 -25.635 1.00 21.43 C ATOM 456 O LEU A 291 27.583 8.889 -24.540 1.00 22.94 O ATOM 457 CB LEU A 291 24.602 8.201 -25.974 1.00 33.70 C ATOM 458 CG LEU A 291 24.341 7.538 -24.623 1.00 36.53 C ATOM 459 CD1 LEU A 291 22.871 7.186 -24.466 1.00 32.32 C ATOM 460 CD2 LEU A 291 25.193 6.302 -24.485 1.00 34.00 C ATOM 461 H LEU A 291 25.112 9.514 -28.084 1.00 0.00 H ATOM 462 N VAL A 292 27.674 7.903 -26.548 1.00 22.25 N ATOM 463 CA VAL A 292 28.930 7.225 -26.251 1.00 19.21 C ATOM 464 C VAL A 292 30.052 8.231 -26.041 1.00 20.24 C ATOM 465 O VAL A 292 30.834 8.127 -25.088 1.00 18.11 O ATOM 466 CB VAL A 292 29.261 6.241 -27.384 1.00 24.25 C ATOM 467 CG1 VAL A 292 30.643 5.628 -27.180 1.00 21.55 C ATOM 468 CG2 VAL A 292 28.188 5.180 -27.453 1.00 16.09 C ATOM 469 H VAL A 292 27.247 7.798 -27.490 1.00 0.00 H ATOM 470 N ARG A 293 30.153 9.216 -26.933 1.00 20.21 N ATOM 471 CA ARG A 293 31.183 10.241 -26.786 1.00 19.89 C ATOM 472 C ARG A 293 31.050 10.965 -25.451 1.00 15.25 C ATOM 473 O ARG A 293 32.022 11.105 -24.701 1.00 20.76 O ATOM 474 CB ARG A 293 31.102 11.225 -27.962 1.00 23.80 C ATOM 475 CG ARG A 293 32.241 12.233 -28.006 1.00 39.27 C ATOM 476 CD ARG A 293 32.109 13.207 -29.192 1.00 39.01 C ATOM 477 NE ARG A 293 32.784 12.729 -30.401 1.00 42.58 N ATOM 478 CZ ARG A 293 32.197 12.020 -31.361 1.00 40.48 C ATOM 479 NH1 ARG A 293 32.892 11.638 -32.425 1.00 34.32 N ATOM 480 NH2 ARG A 293 30.912 11.698 -31.262 1.00 40.74 N ATOM 481 HE ARG A 293 33.791 12.960 -30.517 1.00 0.00 H ATOM 482 HH12 ARG A 293 32.432 11.084 -33.175 1.00 0.00 H ATOM 483 HH11 ARG A 293 33.897 11.893 -32.509 1.00 0.00 H ATOM 484 HH22 ARG A 293 30.455 11.144 -32.014 1.00 0.00 H ATOM 485 HH21 ARG A 293 30.363 12.000 -30.432 1.00 0.00 H ATOM 486 H ARG A 293 29.495 9.255 -27.738 1.00 0.00 H ATOM 487 N LYS A 294 29.846 11.408 -25.120 1.00 15.86 N ATOM 488 CA LYS A 294 29.675 12.138 -23.868 1.00 23.67 C ATOM 489 C LYS A 294 29.938 11.242 -22.655 1.00 17.18 C ATOM 490 O LYS A 294 30.535 11.686 -21.668 1.00 14.21 O ATOM 491 CB LYS A 294 28.270 12.743 -23.816 1.00 22.49 C ATOM 492 CG LYS A 294 28.026 13.812 -24.895 1.00 26.58 C ATOM 493 CD LYS A 294 28.473 15.211 -24.431 1.00 38.46 C ATOM 494 CE LYS A 294 28.381 16.273 -25.545 1.00 43.77 C ATOM 495 NZ LYS A 294 27.107 16.182 -26.325 1.00 44.60 N ATOM 496 HZ1 LYS A 294 27.041 15.245 -26.771 1.00 0.00 H ATOM 497 HZ2 LYS A 294 26.299 16.320 -25.685 1.00 0.00 H ATOM 498 HZ3 LYS A 294 27.098 16.918 -27.060 1.00 0.00 H ATOM 499 H LYS A 294 29.032 11.238 -25.745 1.00 0.00 H ATOM 500 N CYS A 295 29.513 9.977 -22.713 1.00 15.68 N ATOM 501 CA CYS A 295 29.748 9.077 -21.588 1.00 15.51 C ATOM 502 C CYS A 295 31.239 8.859 -21.370 1.00 15.59 C ATOM 503 O CYS A 295 31.732 8.923 -20.234 1.00 16.72 O ATOM 504 CB CYS A 295 29.039 7.745 -21.831 1.00 20.91 C ATOM 505 SG CYS A 295 29.163 6.586 -20.461 1.00 24.09 S ATOM 506 H CYS A 295 29.015 9.634 -23.559 1.00 0.00 H ATOM 507 N ILE A 296 31.979 8.647 -22.455 1.00 13.68 N ATOM 508 CA ILE A 296 33.411 8.404 -22.342 1.00 14.85 C ATOM 509 C ILE A 296 34.139 9.656 -21.857 1.00 16.17 C ATOM 510 O ILE A 296 35.039 9.583 -21.012 1.00 16.96 O ATOM 511 CB ILE A 296 33.947 7.901 -23.692 1.00 18.73 C ATOM 512 CG1 ILE A 296 33.576 6.432 -23.863 1.00 16.39 C ATOM 513 CG2 ILE A 296 35.452 8.099 -23.782 1.00 21.86 C ATOM 514 CD1 ILE A 296 33.744 5.923 -25.295 1.00 24.90 C ATOM 515 H ILE A 296 31.531 8.655 -23.393 1.00 0.00 H ATOM 516 N TYR A 297 33.764 10.825 -22.362 1.00 17.54 N ATOM 517 CA TYR A 297 34.416 12.034 -21.876 1.00 20.77 C ATOM 518 C TYR A 297 34.172 12.244 -20.383 1.00 17.32 C ATOM 519 O TYR A 297 35.098 12.600 -19.644 1.00 18.51 O ATOM 520 CB TYR A 297 33.975 13.235 -22.715 1.00 22.22 C ATOM 521 CG TYR A 297 34.755 13.234 -24.012 1.00 47.67 C ATOM 522 CD1 TYR A 297 36.037 12.688 -24.051 1.00 47.52 C ATOM 523 CD2 TYR A 297 34.217 13.728 -25.195 1.00 51.69 C ATOM 524 CE1 TYR A 297 36.771 12.651 -25.210 1.00 48.57 C ATOM 525 CE2 TYR A 297 34.953 13.696 -26.378 1.00 52.30 C ATOM 526 CZ TYR A 297 36.232 13.154 -26.374 1.00 62.12 C ATOM 527 OH TYR A 297 36.988 13.107 -27.530 1.00 56.46 O ATOM 528 HH TYR A 297 37.128 14.027 -27.869 1.00 0.00 H ATOM 529 H TYR A 297 33.021 10.877 -23.088 1.00 0.00 H ATOM 530 N ALA A 298 32.945 11.998 -19.910 1.00 15.74 N ATOM 531 CA ALA A 298 32.672 12.136 -18.479 1.00 16.62 C ATOM 532 C ALA A 298 33.477 11.134 -17.663 1.00 17.57 C ATOM 533 O ALA A 298 33.938 11.444 -16.558 1.00 15.28 O ATOM 534 CB ALA A 298 31.179 11.944 -18.214 1.00 15.50 C ATOM 535 H ALA A 298 32.186 11.709 -20.559 1.00 0.00 H ATOM 536 N PHE A 299 33.647 9.919 -18.198 1.00 19.79 N ATOM 537 CA PHE A 299 34.424 8.881 -17.530 1.00 18.59 C ATOM 538 C PHE A 299 35.871 9.320 -17.310 1.00 11.73 C ATOM 539 O PHE A 299 36.448 9.054 -16.252 1.00 13.30 O ATOM 540 CB PHE A 299 34.337 7.597 -18.366 1.00 15.99 C ATOM 541 CG PHE A 299 35.036 6.402 -17.771 1.00 12.58 C ATOM 542 CD1 PHE A 299 34.818 6.027 -16.456 1.00 16.18 C ATOM 543 CD2 PHE A 299 35.875 5.617 -18.561 1.00 15.41 C ATOM 544 CE1 PHE A 299 35.446 4.904 -15.918 1.00 14.51 C ATOM 545 CE2 PHE A 299 36.501 4.496 -18.046 1.00 14.16 C ATOM 546 CZ PHE A 299 36.292 4.132 -16.718 1.00 14.63 C ATOM 547 H PHE A 299 33.212 9.708 -19.119 1.00 0.00 H ATOM 548 N PHE A 300 36.464 10.025 -18.275 1.00 13.68 N ATOM 549 CA PHE A 300 37.877 10.419 -18.192 1.00 16.27 C ATOM 550 C PHE A 300 38.108 11.804 -17.583 1.00 22.42 C ATOM 551 O PHE A 300 39.266 12.201 -17.408 1.00 20.94 O ATOM 552 CB PHE A 300 38.522 10.379 -19.582 1.00 17.52 C ATOM 553 CG PHE A 300 38.905 9.012 -20.023 1.00 13.48 C ATOM 554 CD1 PHE A 300 40.165 8.523 -19.767 1.00 15.00 C ATOM 555 CD2 PHE A 300 37.997 8.205 -20.675 1.00 16.37 C ATOM 556 CE1 PHE A 300 40.531 7.258 -20.172 1.00 18.39 C ATOM 557 CE2 PHE A 300 38.347 6.929 -21.076 1.00 23.27 C ATOM 558 CZ PHE A 300 39.625 6.453 -20.823 1.00 18.06 C ATOM 559 H PHE A 300 35.910 10.304 -19.110 1.00 0.00 H ATOM 560 N GLN A 301 37.060 12.534 -17.245 1.00 14.61 N ATOM 561 CA GLN A 301 37.139 13.892 -16.719 1.00 19.46 C ATOM 562 C GLN A 301 37.518 13.884 -15.232 1.00 21.15 C ATOM 563 O GLN A 301 37.000 13.072 -14.468 1.00 22.19 O ATOM 564 CB GLN A 301 35.786 14.587 -16.917 1.00 20.01 C ATOM 565 CG GLN A 301 35.752 16.044 -16.580 1.00 37.15 C ATOM 566 CD GLN A 301 36.653 16.875 -17.481 1.00 47.40 C ATOM 567 OE1 GLN A 301 37.117 16.417 -18.539 1.00 41.77 O ATOM 568 NE2 GLN A 301 36.917 18.104 -17.056 1.00 34.92 N ATOM 569 HE22 GLN A 301 36.506 18.445 -16.164 1.00 0.00 H ATOM 570 HE21 GLN A 301 37.535 18.726 -17.615 1.00 0.00 H ATOM 571 H GLN A 301 36.116 12.112 -17.362 1.00 0.00 H ATOM 572 N PRO A 302 38.406 14.778 -14.784 1.00 29.26 N ATOM 573 CA PRO A 302 38.774 14.788 -13.359 1.00 28.62 C ATOM 574 C PRO A 302 37.567 15.033 -12.458 1.00 29.92 C ATOM 575 O PRO A 302 36.640 15.759 -12.808 1.00 28.29 O ATOM 576 CB PRO A 302 39.790 15.932 -13.260 1.00 24.84 C ATOM 577 CG PRO A 302 40.355 16.054 -14.632 1.00 24.32 C ATOM 578 CD PRO A 302 39.231 15.713 -15.571 1.00 28.80 C ATOM 579 N GLN A 303 37.586 14.389 -11.286 1.00 30.16 N ATOM 580 CA GLN A 303 36.474 14.418 -10.325 1.00 31.33 C ATOM 581 C GLN A 303 36.817 15.430 -9.234 1.00 36.85 C ATOM 582 O GLN A 303 37.278 15.085 -8.140 1.00 37.41 O ATOM 583 CB GLN A 303 36.232 13.026 -9.732 1.00 30.21 C ATOM 584 CG GLN A 303 35.554 12.031 -10.659 1.00 30.00 C ATOM 585 CD GLN A 303 34.144 12.453 -10.992 1.00 34.05 C ATOM 586 OE1 GLN A 303 33.458 13.032 -10.155 1.00 45.60 O ATOM 587 NE2 GLN A 303 33.702 12.175 -12.220 1.00 30.87 N ATOM 588 HE22 GLN A 303 34.320 11.682 -12.896 1.00 0.00 H ATOM 589 HE21 GLN A 303 32.740 12.451 -12.501 1.00 0.00 H ATOM 590 H GLN A 303 38.433 13.838 -11.041 1.00 0.00 H ATOM 591 N GLY A 304 36.596 16.703 -9.546 1.00 35.42 N ATOM 592 CA GLY A 304 37.060 17.759 -8.672 1.00 36.63 C ATOM 593 C GLY A 304 38.553 17.675 -8.415 1.00 36.63 C ATOM 594 O GLY A 304 39.365 17.865 -9.326 1.00 38.41 O ATOM 595 H GLY A 304 36.088 16.941 -10.422 1.00 0.00 H ATOM 596 N ARG A 305 38.929 17.372 -7.178 1.00 35.09 N ATOM 597 CA ARG A 305 40.330 17.283 -6.803 1.00 34.41 C ATOM 598 C ARG A 305 40.889 15.874 -6.936 1.00 40.72 C ATOM 599 O ARG A 305 42.110 15.701 -6.883 1.00 39.24 O ATOM 600 CB ARG A 305 40.516 17.780 -5.361 1.00 47.50 C ATOM 601 H ARG A 305 38.200 17.193 -6.458 1.00 0.00 H ATOM 602 N GLU A 306 40.037 14.879 -7.107 1.00 36.63 N ATOM 603 CA GLU A 306 40.424 13.485 -7.248 1.00 32.85 C ATOM 604 C GLU A 306 40.674 13.141 -8.713 1.00 29.25 C ATOM 605 O GLU A 306 40.263 13.877 -9.619 1.00 27.78 O ATOM 606 CB GLU A 306 39.324 12.592 -6.669 1.00 33.43 C ATOM 607 H GLU A 306 39.023 15.108 -7.143 1.00 0.00 H ATOM 608 N PRO A 307 41.344 12.026 -8.992 1.00 35.24 N ATOM 609 CA PRO A 307 41.508 11.603 -10.387 1.00 25.42 C ATOM 610 C PRO A 307 40.176 11.205 -11.002 1.00 22.17 C ATOM 611 O PRO A 307 39.188 10.957 -10.312 1.00 24.59 O ATOM 612 CB PRO A 307 42.453 10.399 -10.293 1.00 22.64 C ATOM 613 CG PRO A 307 43.118 10.535 -8.957 1.00 31.36 C ATOM 614 CD PRO A 307 42.094 11.158 -8.067 1.00 39.34 C ATOM 615 N SER A 308 40.157 11.164 -12.328 1.00 12.36 N ATOM 616 CA SER A 308 38.983 10.689 -13.041 1.00 16.96 C ATOM 617 C SER A 308 38.670 9.255 -12.635 1.00 17.20 C ATOM 618 O SER A 308 39.550 8.499 -12.218 1.00 16.80 O ATOM 619 CB SER A 308 39.224 10.739 -14.545 1.00 17.91 C ATOM 620 OG SER A 308 40.329 9.901 -14.871 1.00 17.30 O ATOM 621 HG SER A 308 40.488 9.931 -15.848 1.00 0.00 H ATOM 622 H SER A 308 40.992 11.476 -12.864 1.00 0.00 H ATOM 623 N TYR A 309 37.403 8.874 -12.778 1.00 14.15 N ATOM 624 CA TYR A 309 37.059 7.476 -12.564 1.00 17.58 C ATOM 625 C TYR A 309 37.843 6.559 -13.505 1.00 20.41 C ATOM 626 O TYR A 309 38.226 5.454 -13.101 1.00 15.49 O ATOM 627 CB TYR A 309 35.547 7.285 -12.709 1.00 15.81 C ATOM 628 CG TYR A 309 34.775 7.927 -11.566 1.00 17.55 C ATOM 629 CD1 TYR A 309 35.271 7.912 -10.260 1.00 20.38 C ATOM 630 CD2 TYR A 309 33.580 8.591 -11.801 1.00 22.84 C ATOM 631 CE1 TYR A 309 34.577 8.524 -9.210 1.00 18.49 C ATOM 632 CE2 TYR A 309 32.883 9.211 -10.763 1.00 24.44 C ATOM 633 CZ TYR A 309 33.381 9.166 -9.474 1.00 23.48 C ATOM 634 OH TYR A 309 32.667 9.775 -8.461 1.00 32.09 O ATOM 635 HH TYR A 309 33.148 9.658 -7.604 1.00 0.00 H ATOM 636 H TYR A 309 36.670 9.564 -13.039 1.00 0.00 H ATOM 637 N ALA A 310 38.140 7.011 -14.736 1.00 11.86 N ATOM 638 CA ALA A 310 38.946 6.182 -15.639 1.00 17.60 C ATOM 639 C ALA A 310 40.312 5.863 -15.033 1.00 15.84 C ATOM 640 O ALA A 310 40.774 4.714 -15.090 1.00 14.34 O ATOM 641 CB ALA A 310 39.111 6.864 -16.998 1.00 13.50 C ATOM 642 H ALA A 310 37.800 7.944 -15.046 1.00 0.00 H ATOM 643 N ARG A 311 40.967 6.870 -14.453 1.00 14.73 N ATOM 644 CA ARG A 311 42.262 6.656 -13.817 1.00 19.92 C ATOM 645 C ARG A 311 42.127 5.757 -12.597 1.00 17.21 C ATOM 646 O ARG A 311 42.905 4.811 -12.420 1.00 18.99 O ATOM 647 CB ARG A 311 42.882 7.998 -13.418 1.00 18.84 C ATOM 648 CG ARG A 311 43.614 8.715 -14.535 1.00 25.67 C ATOM 649 CD ARG A 311 44.051 10.120 -14.106 1.00 30.58 C ATOM 650 NE ARG A 311 43.008 11.124 -14.341 1.00 24.26 N ATOM 651 CZ ARG A 311 42.885 12.251 -13.653 1.00 15.49 C ATOM 652 NH1 ARG A 311 43.733 12.543 -12.674 1.00 24.11 N ATOM 653 NH2 ARG A 311 41.916 13.084 -13.949 1.00 19.84 N ATOM 654 HE ARG A 311 42.319 10.940 -15.098 1.00 0.00 H ATOM 655 HH12 ARG A 311 43.627 13.430 -12.141 1.00 0.00 H ATOM 656 HH11 ARG A 311 44.504 11.885 -12.440 1.00 0.00 H ATOM 657 HH22 ARG A 311 41.811 13.970 -13.415 1.00 0.00 H ATOM 658 HH21 ARG A 311 41.253 12.858 -14.717 1.00 0.00 H ATOM 659 H ARG A 311 40.548 7.822 -14.454 1.00 0.00 H ATOM 660 N GLN A 312 41.148 6.049 -11.737 1.00 15.11 N ATOM 661 CA GLN A 312 40.968 5.249 -10.529 1.00 17.10 C ATOM 662 C GLN A 312 40.711 3.794 -10.884 1.00 16.50 C ATOM 663 O GLN A 312 41.330 2.893 -10.313 1.00 20.95 O ATOM 664 CB GLN A 312 39.821 5.807 -9.694 1.00 16.25 C ATOM 665 CG GLN A 312 40.031 7.240 -9.265 1.00 18.80 C ATOM 666 CD GLN A 312 38.998 7.700 -8.278 1.00 23.98 C ATOM 667 OE1 GLN A 312 38.674 6.987 -7.321 1.00 23.73 O ATOM 668 NE2 GLN A 312 38.466 8.898 -8.496 1.00 20.42 N ATOM 669 HE22 GLN A 312 38.771 9.461 -9.315 1.00 0.00 H ATOM 670 HE21 GLN A 312 37.745 9.272 -7.847 1.00 0.00 H ATOM 671 H GLN A 312 40.512 6.849 -11.928 1.00 0.00 H ATOM 672 N LEU A 313 39.846 3.545 -11.867 1.00 17.22 N ATOM 673 CA LEU A 313 39.541 2.155 -12.221 1.00 17.04 C ATOM 674 C LEU A 313 40.731 1.476 -12.878 1.00 17.88 C ATOM 675 O LEU A 313 41.001 0.302 -12.606 1.00 15.06 O ATOM 676 CB LEU A 313 38.325 2.080 -13.151 1.00 11.76 C ATOM 677 CG LEU A 313 36.977 1.928 -12.428 1.00 17.56 C ATOM 678 CD1 LEU A 313 36.694 3.150 -11.584 1.00 17.26 C ATOM 679 CD2 LEU A 313 35.847 1.667 -13.417 1.00 14.01 C ATOM 680 H LEU A 313 39.392 4.329 -12.378 1.00 0.00 H ATOM 681 N PHE A 314 41.441 2.189 -13.767 1.00 15.98 N ATOM 682 CA PHE A 314 42.602 1.591 -14.416 1.00 17.62 C ATOM 683 C PHE A 314 43.675 1.236 -13.394 1.00 18.40 C ATOM 684 O PHE A 314 44.257 0.152 -13.445 1.00 18.96 O ATOM 685 CB PHE A 314 43.148 2.538 -15.480 1.00 18.72 C ATOM 686 CG PHE A 314 44.450 2.089 -16.084 1.00 21.70 C ATOM 687 CD1 PHE A 314 44.471 1.133 -17.078 1.00 17.02 C ATOM 688 CD2 PHE A 314 45.653 2.650 -15.671 1.00 22.54 C ATOM 689 CE1 PHE A 314 45.669 0.729 -17.646 1.00 27.46 C ATOM 690 CE2 PHE A 314 46.859 2.255 -16.235 1.00 24.82 C ATOM 691 CZ PHE A 314 46.870 1.290 -17.220 1.00 25.14 C ATOM 692 H PHE A 314 41.164 3.166 -13.992 1.00 0.00 H ATOM 693 N GLN A 315 43.937 2.131 -12.445 1.00 18.56 N ATOM 694 CA GLN A 315 44.894 1.824 -11.389 1.00 24.33 C ATOM 695 C GLN A 315 44.459 0.583 -10.611 1.00 29.09 C ATOM 696 O GLN A 315 45.249 -0.346 -10.397 1.00 24.42 O ATOM 697 CB GLN A 315 45.045 3.033 -10.459 1.00 20.68 C ATOM 698 CG GLN A 315 46.175 2.920 -9.460 1.00 36.91 C ATOM 699 H GLN A 315 43.457 3.054 -12.457 1.00 0.00 H ATOM 700 N GLU A 316 43.183 0.526 -10.229 1.00 22.70 N ATOM 701 CA GLU A 316 42.698 -0.609 -9.449 1.00 24.15 C ATOM 702 C GLU A 316 42.640 -1.891 -10.280 1.00 22.62 C ATOM 703 O GLU A 316 42.950 -2.974 -9.775 1.00 17.93 O ATOM 704 CB GLU A 316 41.323 -0.286 -8.862 1.00 21.23 C ATOM 705 CG GLU A 316 40.738 -1.421 -8.030 1.00 33.93 C ATOM 706 CD GLU A 316 41.362 -1.516 -6.632 1.00 45.84 C ATOM 707 OE1 GLU A 316 42.284 -0.717 -6.336 1.00 51.31 O ATOM 708 OE2 GLU A 316 40.926 -2.387 -5.832 1.00 41.06 O ATOM 709 H GLU A 316 42.530 1.293 -10.488 1.00 0.00 H ATOM 710 N VAL A 317 42.225 -1.808 -11.548 1.00 19.10 N ATOM 711 CA VAL A 317 42.056 -3.053 -12.300 1.00 20.10 C ATOM 712 C VAL A 317 43.403 -3.715 -12.596 1.00 26.29 C ATOM 713 O VAL A 317 43.477 -4.943 -12.701 1.00 19.70 O ATOM 714 CB VAL A 317 41.253 -2.836 -13.597 1.00 19.08 C ATOM 715 CG1 VAL A 317 42.130 -2.323 -14.689 1.00 16.17 C ATOM 716 CG2 VAL A 317 40.629 -4.147 -14.033 1.00 22.86 C ATOM 717 H VAL A 317 42.028 -0.886 -11.987 1.00 0.00 H ATOM 718 N MET A 318 44.479 -2.929 -12.727 1.00 22.92 N ATOM 719 CA MET A 318 45.803 -3.502 -12.940 1.00 29.13 C ATOM 720 C MET A 318 46.336 -4.178 -11.678 1.00 31.37 C ATOM 721 O MET A 318 46.982 -5.224 -11.761 1.00 40.56 O ATOM 722 CB MET A 318 46.768 -2.413 -13.417 1.00 23.51 C ATOM 723 CG MET A 318 46.471 -1.901 -14.823 1.00 24.39 C ATOM 724 SD MET A 318 46.292 -3.222 -16.049 1.00 33.21 S ATOM 725 CE MET A 318 47.975 -3.845 -16.061 1.00 35.57 C ATOM 726 H MET A 318 44.369 -1.896 -12.676 1.00 0.00 H ATOM 727 N THR A 319 46.061 -3.612 -10.501 1.00 27.57 N ATOM 728 CA THR A 319 46.530 -4.199 -9.247 1.00 27.43 C ATOM 729 C THR A 319 45.690 -5.397 -8.796 1.00 29.52 C ATOM 730 O THR A 319 46.242 -6.421 -8.386 1.00 32.30 O ATOM 731 CB THR A 319 46.524 -3.141 -8.153 1.00 31.23 C ATOM 732 OG1 THR A 319 47.240 -1.994 -8.608 1.00 46.61 O ATOM 733 CG2 THR A 319 47.181 -3.685 -6.910 1.00 41.82 C ATOM 734 HG1 THR A 319 46.804 -1.635 -9.421 1.00 0.00 H ATOM 735 H THR A 319 45.502 -2.736 -10.475 1.00 0.00 H ATOM 736 N ARG A 320 44.351 -5.282 -8.825 1.00 26.46 N ATOM 737 CA ARG A 320 43.478 -6.310 -8.260 1.00 21.29 C ATOM 738 C ARG A 320 42.666 -7.087 -9.281 1.00 19.43 C ATOM 739 O ARG A 320 41.991 -8.047 -8.890 1.00 23.83 O ATOM 740 CB ARG A 320 42.486 -5.708 -7.250 1.00 24.82 C ATOM 741 CG ARG A 320 43.039 -4.648 -6.326 1.00 28.50 C ATOM 742 CD ARG A 320 44.010 -5.234 -5.334 1.00 29.57 C ATOM 743 NE ARG A 320 44.700 -4.173 -4.606 1.00 36.40 N ATOM 744 CZ ARG A 320 45.762 -4.373 -3.834 1.00 40.41 C ATOM 745 NH1 ARG A 320 46.330 -3.352 -3.210 1.00 48.43 N ATOM 746 NH2 ARG A 320 46.260 -5.593 -3.688 1.00 37.99 N ATOM 747 HE ARG A 320 44.338 -3.202 -4.697 1.00 0.00 H ATOM 748 HH12 ARG A 320 47.162 -3.509 -2.606 1.00 0.00 H ATOM 749 HH11 ARG A 320 45.944 -2.393 -3.324 1.00 0.00 H ATOM 750 HH22 ARG A 320 47.092 -5.746 -3.083 1.00 0.00 H ATOM 751 HH21 ARG A 320 45.819 -6.397 -4.179 1.00 0.00 H ATOM 752 H ARG A 320 43.925 -4.439 -9.261 1.00 0.00 H ATOM 753 N GLY A 321 42.668 -6.694 -10.556 1.00 15.79 N ATOM 754 CA GLY A 321 41.996 -7.459 -11.593 1.00 16.88 C ATOM 755 C GLY A 321 40.541 -7.105 -11.869 1.00 20.52 C ATOM 756 O GLY A 321 39.966 -7.652 -12.820 1.00 17.11 O ATOM 757 H GLY A 321 43.164 -5.817 -10.815 1.00 0.00 H ATOM 758 N THR A 322 39.919 -6.229 -11.071 1.00 19.61 N ATOM 759 CA THR A 322 38.526 -5.822 -11.276 1.00 20.93 C ATOM 760 C THR A 322 38.307 -4.481 -10.579 1.00 16.85 C ATOM 761 O THR A 322 39.005 -4.159 -9.614 1.00 14.85 O ATOM 762 CB THR A 322 37.524 -6.884 -10.768 1.00 27.37 C ATOM 763 OG1 THR A 322 36.196 -6.527 -11.169 1.00 33.12 O ATOM 764 CG2 THR A 322 37.551 -7.038 -9.230 1.00 21.69 C ATOM 765 HG1 THR A 322 36.152 -6.480 -12.157 1.00 0.00 H ATOM 766 H THR A 322 40.446 -5.820 -10.273 1.00 0.00 H ATOM 767 N ALA A 323 37.350 -3.695 -11.084 1.00 14.39 N ATOM 768 CA ALA A 323 37.095 -2.374 -10.515 1.00 13.24 C ATOM 769 C ALA A 323 35.717 -1.882 -10.947 1.00 14.26 C ATOM 770 O ALA A 323 35.150 -2.358 -11.929 1.00 13.81 O ATOM 771 CB ALA A 323 38.176 -1.364 -10.943 1.00 18.39 C ATOM 772 H ALA A 323 36.782 -4.027 -11.889 1.00 0.00 H ATOM 773 N SER A 324 35.200 -0.890 -10.221 1.00 12.43 N ATOM 774 CA SER A 324 33.892 -0.333 -10.547 1.00 14.13 C ATOM 775 C SER A 324 33.804 1.132 -10.130 1.00 10.40 C ATOM 776 O SER A 324 34.337 1.533 -9.093 1.00 11.03 O ATOM 777 CB SER A 324 32.775 -1.140 -9.870 1.00 17.75 C ATOM 778 OG SER A 324 32.960 -1.125 -8.463 1.00 13.09 O ATOM 779 HG SER A 324 33.837 -1.528 -8.242 1.00 0.00 H ATOM 780 H SER A 324 35.735 -0.510 -9.414 1.00 0.00 H ATOM 781 N SER A 325 33.143 1.920 -10.943 1.00 12.88 N ATOM 782 CA SER A 325 32.906 3.319 -10.622 1.00 14.28 C ATOM 783 C SER A 325 31.508 3.512 -10.053 1.00 11.81 C ATOM 784 O SER A 325 30.591 2.746 -10.357 1.00 13.40 O ATOM 785 CB SER A 325 33.053 4.195 -11.870 1.00 10.01 C ATOM 786 OG SER A 325 31.887 4.097 -12.690 1.00 9.39 O ATOM 787 HG SER A 325 31.097 4.399 -12.176 1.00 0.00 H ATOM 788 H SER A 325 32.780 1.536 -11.839 1.00 0.00 H ATOM 789 N PRO A 326 31.297 4.562 -9.255 1.00 10.46 N ATOM 790 CA PRO A 326 29.927 5.017 -9.001 1.00 16.95 C ATOM 791 C PRO A 326 29.378 5.736 -10.220 1.00 22.01 C ATOM 792 O PRO A 326 30.038 5.784 -11.265 1.00 15.28 O ATOM 793 CB PRO A 326 30.094 5.978 -7.821 1.00 22.34 C ATOM 794 CG PRO A 326 31.395 6.622 -8.090 1.00 15.64 C ATOM 795 CD PRO A 326 32.279 5.488 -8.658 1.00 18.86 C ATOM 796 N SER A 327 28.182 6.303 -10.084 1.00 19.43 N ATOM 797 CA SER A 327 27.530 7.011 -11.179 1.00 22.10 C ATOM 798 C SER A 327 28.217 8.342 -11.470 1.00 21.70 C ATOM 799 O SER A 327 28.671 9.043 -10.560 1.00 21.85 O ATOM 800 CB SER A 327 26.062 7.259 -10.839 1.00 21.69 C ATOM 801 OG SER A 327 25.321 6.054 -10.942 1.00 26.44 O ATOM 802 HG SER A 327 24.373 6.231 -10.719 1.00 0.00 H ATOM 803 H SER A 327 27.696 6.239 -9.167 1.00 0.00 H ATOM 804 N TYR A 328 28.320 8.673 -12.753 1.00 19.05 N ATOM 805 CA TYR A 328 28.744 9.991 -13.193 1.00 20.41 C ATOM 806 C TYR A 328 27.748 10.463 -14.241 1.00 19.65 C ATOM 807 O TYR A 328 27.069 9.659 -14.884 1.00 22.32 O ATOM 808 CB TYR A 328 30.175 9.979 -13.749 1.00 19.62 C ATOM 809 CG TYR A 328 30.438 8.866 -14.745 1.00 23.59 C ATOM 810 CD1 TYR A 328 30.883 7.609 -14.317 1.00 22.22 C ATOM 811 CD2 TYR A 328 30.244 9.067 -16.114 1.00 22.08 C ATOM 812 CE1 TYR A 328 31.112 6.580 -15.233 1.00 18.82 C ATOM 813 CE2 TYR A 328 30.479 8.056 -17.034 1.00 18.84 C ATOM 814 CZ TYR A 328 30.908 6.814 -16.587 1.00 21.31 C ATOM 815 OH TYR A 328 31.130 5.801 -17.489 1.00 25.50 O ATOM 816 HH TYR A 328 31.429 4.990 -17.006 1.00 0.00 H ATOM 817 H TYR A 328 28.087 7.959 -13.472 1.00 0.00 H ATOM 818 N ARG A 329 27.645 11.776 -14.399 1.00 19.85 N ATOM 819 CA ARG A 329 26.608 12.356 -15.240 1.00 26.71 C ATOM 820 C ARG A 329 27.215 13.091 -16.427 1.00 20.79 C ATOM 821 O ARG A 329 28.371 13.533 -16.398 1.00 22.19 O ATOM 822 CB ARG A 329 25.712 13.324 -14.448 1.00 31.67 C ATOM 823 CG ARG A 329 25.260 12.802 -13.106 1.00 25.89 C ATOM 824 CD ARG A 329 24.140 13.665 -12.509 1.00 37.52 C ATOM 825 NE ARG A 329 24.607 15.007 -12.166 1.00 52.06 N ATOM 826 CZ ARG A 329 23.877 16.108 -12.314 1.00 54.60 C ATOM 827 NH1 ARG A 329 22.643 16.019 -12.795 1.00 48.98 N ATOM 828 NH2 ARG A 329 24.379 17.297 -11.986 1.00 45.70 N ATOM 829 HE ARG A 329 25.569 15.106 -11.783 1.00 0.00 H ATOM 830 HH12 ARG A 329 22.068 16.877 -12.913 1.00 0.00 H ATOM 831 HH11 ARG A 329 22.252 15.091 -13.054 1.00 0.00 H ATOM 832 HH22 ARG A 329 23.803 18.155 -12.104 1.00 0.00 H ATOM 833 HH21 ARG A 329 25.347 17.368 -11.612 1.00 0.00 H ATOM 834 H ARG A 329 28.318 12.403 -13.913 1.00 0.00 H ATOM 835 N PHE A 330 26.387 13.238 -17.460 1.00 22.29 N ATOM 836 CA PHE A 330 26.751 13.929 -18.688 1.00 24.17 C ATOM 837 C PHE A 330 25.470 14.398 -19.377 1.00 24.35 C ATOM 838 O PHE A 330 24.375 13.907 -19.091 1.00 24.11 O ATOM 839 CB PHE A 330 27.592 13.027 -19.604 1.00 19.98 C ATOM 840 CG PHE A 330 27.038 11.638 -19.773 1.00 17.16 C ATOM 841 CD1 PHE A 330 27.334 10.640 -18.857 1.00 22.09 C ATOM 842 CD2 PHE A 330 26.231 11.323 -20.858 1.00 20.40 C ATOM 843 CE1 PHE A 330 26.828 9.358 -19.022 1.00 21.23 C ATOM 844 CE2 PHE A 330 25.728 10.059 -21.022 1.00 20.00 C ATOM 845 CZ PHE A 330 26.025 9.072 -20.101 1.00 18.47 C ATOM 846 H PHE A 330 25.430 12.838 -17.385 1.00 0.00 H ATOM 847 N ILE A 331 25.616 15.358 -20.288 1.00 28.80 N ATOM 848 CA ILE A 331 24.484 16.021 -20.940 1.00 34.08 C ATOM 849 C ILE A 331 24.541 15.741 -22.438 1.00 26.23 C ATOM 850 O ILE A 331 25.526 16.079 -23.101 1.00 27.77 O ATOM 851 CB ILE A 331 24.486 17.535 -20.672 1.00 30.42 C ATOM 852 CG1 ILE A 331 24.573 17.803 -19.168 1.00 31.25 C ATOM 853 CG2 ILE A 331 23.259 18.173 -21.268 1.00 31.90 C ATOM 854 CD1 ILE A 331 24.857 19.243 -18.822 1.00 43.49 C ATOM 855 H ILE A 331 26.579 15.651 -20.549 1.00 0.00 H ATOM 856 N LEU A 332 23.487 15.138 -22.972 1.00 34.64 N ATOM 857 CA LEU A 332 23.439 14.860 -24.395 1.00 34.29 C ATOM 858 C LEU A 332 23.340 16.164 -25.188 1.00 43.21 C ATOM 859 O LEU A 332 23.150 17.255 -24.639 1.00 40.09 O ATOM 860 CB LEU A 332 22.259 13.946 -24.719 1.00 35.93 C ATOM 861 CG LEU A 332 22.285 12.591 -24.011 1.00 41.63 C ATOM 862 CD1 LEU A 332 21.012 11.804 -24.304 1.00 37.02 C ATOM 863 CD2 LEU A 332 23.526 11.818 -24.428 1.00 29.37 C ATOM 864 H LEU A 332 22.688 14.862 -22.365 1.00 0.00 H ATOM 865 N ASN A 333 23.469 16.043 -26.510 1.00 41.03 N ATOM 866 CA ASN A 333 23.430 17.238 -27.342 1.00 49.82 C ATOM 867 C ASN A 333 22.062 17.901 -27.332 1.00 48.31 C ATOM 868 O ASN A 333 21.981 19.116 -27.543 1.00 49.22 O ATOM 869 CB ASN A 333 23.854 16.905 -28.771 1.00 44.57 C ATOM 870 CG ASN A 333 25.326 17.201 -29.013 1.00 51.13 C ATOM 871 OD1 ASN A 333 25.913 18.072 -28.362 1.00 60.59 O ATOM 872 ND2 ASN A 333 25.931 16.474 -29.943 1.00 50.60 N ATOM 873 HD22 ASN A 333 25.397 15.751 -30.467 1.00 0.00 H ATOM 874 HD21 ASN A 333 26.939 16.627 -30.148 1.00 0.00 H ATOM 875 H ASN A 333 23.596 15.106 -26.942 1.00 0.00 H ATOM 876 N ASP A 334 21.000 17.147 -27.050 1.00 44.74 N ATOM 877 CA ASP A 334 19.655 17.694 -26.933 1.00 44.59 C ATOM 878 C ASP A 334 19.330 18.197 -25.529 1.00 44.85 C ATOM 879 O ASP A 334 18.175 18.539 -25.265 1.00 51.34 O ATOM 880 CB ASP A 334 18.618 16.648 -27.365 1.00 49.31 C ATOM 881 CG ASP A 334 18.305 15.635 -26.269 1.00 64.65 C ATOM 882 OD1 ASP A 334 19.230 15.235 -25.525 1.00 61.40 O ATOM 883 OD2 ASP A 334 17.125 15.239 -26.146 1.00 70.26 O ATOM 884 H ASP A 334 21.137 16.126 -26.908 1.00 0.00 H ATOM 885 N GLY A 335 20.308 18.243 -24.623 1.00 44.23 N ATOM 886 CA GLY A 335 20.099 18.783 -23.296 1.00 39.17 C ATOM 887 C GLY A 335 19.687 17.780 -22.238 1.00 35.72 C ATOM 888 O GLY A 335 19.602 18.147 -21.061 1.00 38.40 O ATOM 889 H GLY A 335 21.249 17.880 -24.877 1.00 0.00 H ATOM 890 N THR A 336 19.430 16.533 -22.609 1.00 36.58 N ATOM 891 CA THR A 336 19.034 15.529 -21.632 1.00 36.60 C ATOM 892 C THR A 336 20.189 15.187 -20.696 1.00 39.57 C ATOM 893 O THR A 336 21.323 14.965 -21.133 1.00 38.91 O ATOM 894 CB THR A 336 18.569 14.259 -22.339 1.00 42.16 C ATOM 895 OG1 THR A 336 17.499 14.571 -23.235 1.00 49.34 O ATOM 896 CG2 THR A 336 18.103 13.223 -21.328 1.00 42.47 C ATOM 897 HG1 THR A 336 17.814 15.226 -23.908 1.00 0.00 H ATOM 898 H THR A 336 19.512 16.269 -23.611 1.00 0.00 H ATOM 899 N MET A 337 19.890 15.128 -19.405 1.00 28.45 N ATOM 900 CA MET A 337 20.848 14.676 -18.408 1.00 31.21 C ATOM 901 C MET A 337 20.782 13.160 -18.274 1.00 36.70 C ATOM 902 O MET A 337 19.694 12.598 -18.129 1.00 31.81 O ATOM 903 CB MET A 337 20.551 15.319 -17.062 1.00 43.65 C ATOM 904 CG MET A 337 21.508 14.890 -15.981 1.00 55.33 C ATOM 905 SD MET A 337 22.943 15.966 -16.025 1.00 62.41 S ATOM 906 CE MET A 337 22.161 17.568 -15.767 1.00 57.30 C ATOM 907 H MET A 337 18.939 15.414 -19.095 1.00 0.00 H ATOM 908 N LEU A 338 21.936 12.498 -18.338 1.00 26.33 N ATOM 909 CA LEU A 338 22.003 11.060 -18.111 1.00 28.35 C ATOM 910 C LEU A 338 23.104 10.755 -17.101 1.00 28.01 C ATOM 911 O LEU A 338 23.958 11.594 -16.797 1.00 27.86 O ATOM 912 CB LEU A 338 22.254 10.272 -19.409 1.00 26.22 C ATOM 913 CG LEU A 338 21.169 10.275 -20.493 1.00 35.40 C ATOM 914 CD1 LEU A 338 21.559 9.394 -21.667 1.00 30.82 C ATOM 915 CD2 LEU A 338 19.818 9.843 -19.949 1.00 30.97 C ATOM 916 H LEU A 338 22.809 13.019 -18.555 1.00 0.00 H ATOM 917 N SER A 339 23.065 9.549 -16.556 1.00 21.13 N ATOM 918 CA SER A 339 24.130 9.106 -15.678 1.00 24.55 C ATOM 919 C SER A 339 24.555 7.707 -16.099 1.00 20.98 C ATOM 920 O SER A 339 23.848 7.008 -16.826 1.00 23.79 O ATOM 921 CB SER A 339 23.713 9.159 -14.198 1.00 23.64 C ATOM 922 OG SER A 339 23.217 7.925 -13.750 1.00 42.84 O ATOM 923 HG SER A 339 23.918 7.233 -13.851 1.00 0.00 H ATOM 924 H SER A 339 22.265 8.916 -16.759 1.00 0.00 H ATOM 925 N ALA A 340 25.746 7.318 -15.670 1.00 21.54 N ATOM 926 CA ALA A 340 26.262 6.014 -16.034 1.00 21.04 C ATOM 927 C ALA A 340 27.246 5.581 -14.971 1.00 19.66 C ATOM 928 O ALA A 340 27.760 6.402 -14.206 1.00 19.01 O ATOM 929 CB ALA A 340 26.935 6.023 -17.409 1.00 16.39 C ATOM 930 H ALA A 340 26.313 7.951 -15.070 1.00 0.00 H ATOM 931 N HIS A 341 27.489 4.273 -14.925 1.00 14.52 N ATOM 932 CA HIS A 341 28.561 3.726 -14.111 1.00 17.44 C ATOM 933 C HIS A 341 29.290 2.662 -14.921 1.00 11.83 C ATOM 934 O HIS A 341 28.769 2.138 -15.905 1.00 14.67 O ATOM 935 CB HIS A 341 28.039 3.164 -12.785 1.00 14.03 C ATOM 936 CG HIS A 341 27.363 1.836 -12.907 1.00 16.16 C ATOM 937 ND1 HIS A 341 26.042 1.701 -13.272 1.00 20.54 N ATOM 938 CD2 HIS A 341 27.814 0.583 -12.658 1.00 21.02 C ATOM 939 CE1 HIS A 341 25.717 0.422 -13.277 1.00 22.34 C ATOM 940 NE2 HIS A 341 26.774 -0.279 -12.906 1.00 21.08 N ATOM 941 H HIS A 341 26.897 3.627 -15.485 1.00 0.00 H ATOM 942 N THR A 342 30.511 2.364 -14.511 1.00 10.43 N ATOM 943 CA THR A 342 31.404 1.517 -15.289 1.00 16.65 C ATOM 944 C THR A 342 31.908 0.400 -14.390 1.00 17.50 C ATOM 945 O THR A 342 32.108 0.612 -13.198 1.00 15.32 O ATOM 946 CB THR A 342 32.595 2.343 -15.873 1.00 18.71 C ATOM 947 OG1 THR A 342 32.113 3.259 -16.868 1.00 18.88 O ATOM 948 CG2 THR A 342 33.669 1.440 -16.506 1.00 21.10 C ATOM 949 HG1 THR A 342 31.677 2.752 -17.598 1.00 0.00 H ATOM 950 H THR A 342 30.844 2.747 -13.603 1.00 0.00 H ATOM 951 N LYS A 343 32.087 -0.788 -14.956 1.00 16.92 N ATOM 952 CA LYS A 343 32.775 -1.887 -14.292 1.00 22.98 C ATOM 953 C LYS A 343 33.800 -2.474 -15.250 1.00 19.00 C ATOM 954 O LYS A 343 33.546 -2.551 -16.454 1.00 18.43 O ATOM 955 CB LYS A 343 31.790 -2.969 -13.867 1.00 18.70 C ATOM 956 CG LYS A 343 30.672 -2.423 -13.023 1.00 29.33 C ATOM 957 CD LYS A 343 29.796 -3.524 -12.516 1.00 40.08 C ATOM 958 CE LYS A 343 29.212 -4.302 -13.665 1.00 37.12 C ATOM 959 NZ LYS A 343 28.255 -5.298 -13.121 1.00 47.03 N ATOM 960 HZ1 LYS A 343 28.755 -5.941 -12.474 1.00 0.00 H ATOM 961 HZ2 LYS A 343 27.499 -4.805 -12.605 1.00 0.00 H ATOM 962 HZ3 LYS A 343 27.843 -5.844 -13.904 1.00 0.00 H ATOM 963 H LYS A 343 31.719 -0.941 -15.917 1.00 0.00 H ATOM 964 N CYS A 344 34.949 -2.907 -14.731 1.00 16.94 N ATOM 965 CA CYS A 344 35.914 -3.501 -15.642 1.00 22.93 C ATOM 966 C CYS A 344 36.733 -4.598 -14.969 1.00 19.59 C ATOM 967 O CYS A 344 36.816 -4.691 -13.740 1.00 21.37 O ATOM 968 CB CYS A 344 36.821 -2.427 -16.257 1.00 25.82 C ATOM 969 SG CYS A 344 37.778 -1.501 -15.097 1.00 34.99 S ATOM 970 H CYS A 344 35.148 -2.823 -13.714 1.00 0.00 H ATOM 971 N LYS A 345 37.351 -5.423 -15.820 1.00 18.37 N ATOM 972 CA LYS A 345 38.025 -6.658 -15.448 1.00 22.50 C ATOM 973 C LYS A 345 39.239 -6.875 -16.338 1.00 21.12 C ATOM 974 O LYS A 345 39.180 -6.663 -17.554 1.00 18.73 O ATOM 975 CB LYS A 345 37.089 -7.866 -15.598 1.00 22.24 C ATOM 976 CG LYS A 345 36.566 -8.463 -14.309 1.00 39.95 C ATOM 977 CD LYS A 345 35.735 -9.713 -14.590 1.00 48.20 C ATOM 978 CE LYS A 345 34.798 -10.045 -13.427 1.00 64.86 C ATOM 979 NZ LYS A 345 33.653 -9.075 -13.281 1.00 47.74 N ATOM 980 HZ1 LYS A 345 34.029 -8.119 -13.116 1.00 0.00 H ATOM 981 HZ2 LYS A 345 33.084 -9.079 -14.151 1.00 0.00 H ATOM 982 HZ3 LYS A 345 33.060 -9.360 -12.476 1.00 0.00 H ATOM 983 H LYS A 345 37.350 -5.162 -16.827 1.00 0.00 H ATOM 984 N LEU A 346 40.326 -7.339 -15.741 1.00 20.17 N ATOM 985 CA LEU A 346 41.464 -7.794 -16.526 1.00 20.90 C ATOM 986 C LEU A 346 41.190 -9.213 -17.026 1.00 23.68 C ATOM 987 O LEU A 346 40.748 -10.071 -16.257 1.00 23.30 O ATOM 988 CB LEU A 346 42.727 -7.726 -15.678 1.00 20.43 C ATOM 989 CG LEU A 346 44.088 -8.003 -16.309 1.00 30.92 C ATOM 990 CD1 LEU A 346 44.281 -7.206 -17.577 1.00 27.07 C ATOM 991 CD2 LEU A 346 45.163 -7.629 -15.303 1.00 29.23 C ATOM 992 H LEU A 346 40.367 -7.379 -14.703 1.00 0.00 H ATOM 993 N CYS A 347 41.391 -9.436 -18.327 1.00 17.83 N ATOM 994 CA CYS A 347 41.131 -10.713 -18.988 1.00 18.43 C ATOM 995 C CYS A 347 42.430 -11.316 -19.513 1.00 25.96 C ATOM 996 O CYS A 347 43.197 -10.646 -20.217 1.00 20.73 O ATOM 997 CB CYS A 347 40.150 -10.539 -20.151 1.00 23.20 C ATOM 998 SG CYS A 347 38.478 -10.086 -19.598 1.00 47.67 S ATOM 999 H CYS A 347 41.755 -8.652 -18.906 1.00 0.00 H ATOM 1000 N TYR A 348 42.662 -12.590 -19.198 1.00 22.62 N ATOM 1001 CA TYR A 348 43.895 -13.261 -19.605 1.00 26.26 C ATOM 1002 C TYR A 348 43.577 -14.265 -20.708 1.00 28.18 C ATOM 1003 O TYR A 348 43.133 -15.384 -20.420 1.00 29.90 O ATOM 1004 CB TYR A 348 44.554 -13.956 -18.412 1.00 24.18 C ATOM 1005 CG TYR A 348 45.123 -13.016 -17.380 1.00 31.75 C ATOM 1006 CD1 TYR A 348 46.425 -12.513 -17.500 1.00 26.20 C ATOM 1007 CD2 TYR A 348 44.367 -12.644 -16.272 1.00 28.03 C ATOM 1008 CE1 TYR A 348 46.953 -11.658 -16.547 1.00 29.86 C ATOM 1009 CE2 TYR A 348 44.881 -11.789 -15.309 1.00 29.57 C ATOM 1010 CZ TYR A 348 46.167 -11.301 -15.448 1.00 41.98 C ATOM 1011 OH TYR A 348 46.657 -10.451 -14.479 1.00 46.49 O ATOM 1012 HH TYR A 348 47.582 -10.186 -14.711 1.00 0.00 H ATOM 1013 H TYR A 348 41.951 -13.117 -18.652 1.00 0.00 H ATOM 1014 N PRO A 349 43.765 -13.920 -21.972 1.00 23.96 N ATOM 1015 CA PRO A 349 43.327 -14.816 -23.039 1.00 24.80 C ATOM 1016 C PRO A 349 44.188 -16.064 -23.100 1.00 28.43 C ATOM 1017 O PRO A 349 45.364 -16.061 -22.731 1.00 30.36 O ATOM 1018 CB PRO A 349 43.483 -13.966 -24.300 1.00 22.85 C ATOM 1019 CG PRO A 349 44.564 -13.003 -23.964 1.00 29.40 C ATOM 1020 CD PRO A 349 44.429 -12.715 -22.492 1.00 25.87 C ATOM 1021 N GLN A 350 43.574 -17.141 -23.580 1.00 29.56 N ATOM 1022 CA GLN A 350 44.256 -18.423 -23.681 1.00 35.18 C ATOM 1023 C GLN A 350 45.303 -18.435 -24.786 1.00 26.61 C ATOM 1024 O GLN A 350 46.324 -19.108 -24.647 1.00 34.18 O ATOM 1025 CB GLN A 350 43.229 -19.528 -23.912 1.00 30.39 C ATOM 1026 CG GLN A 350 43.832 -20.908 -24.045 1.00 44.71 C ATOM 1027 CD GLN A 350 42.772 -21.995 -24.111 1.00 57.25 C ATOM 1028 OE1 GLN A 350 41.573 -21.710 -24.200 1.00 53.97 O ATOM 1029 NE2 GLN A 350 43.210 -23.248 -24.082 1.00 52.85 N ATOM 1030 HE22 GLN A 350 44.229 -23.441 -24.006 1.00 0.00 H ATOM 1031 HE21 GLN A 350 42.534 -24.037 -24.135 1.00 0.00 H ATOM 1032 H GLN A 350 42.584 -17.066 -23.890 1.00 0.00 H ATOM 1033 N SER A 351 45.078 -17.698 -25.873 1.00 29.88 N ATOM 1034 CA SER A 351 45.975 -17.772 -27.019 1.00 26.40 C ATOM 1035 C SER A 351 47.301 -17.118 -26.669 1.00 30.68 C ATOM 1036 O SER A 351 47.316 -16.018 -26.112 1.00 32.80 O ATOM 1037 CB SER A 351 45.374 -17.092 -28.247 1.00 23.37 C ATOM 1038 H SER A 351 44.254 -17.064 -25.904 1.00 0.00 H ATOM 1039 N PRO A 352 48.428 -17.764 -26.962 1.00 33.45 N ATOM 1040 CA PRO A 352 49.733 -17.137 -26.681 1.00 30.75 C ATOM 1041 C PRO A 352 50.015 -15.900 -27.521 1.00 34.26 C ATOM 1042 O PRO A 352 50.894 -15.110 -27.161 1.00 27.69 O ATOM 1043 CB PRO A 352 50.740 -18.259 -26.993 1.00 31.35 C ATOM 1044 CG PRO A 352 49.970 -19.227 -27.902 1.00 36.82 C ATOM 1045 CD PRO A 352 48.548 -19.163 -27.408 1.00 27.47 C ATOM 1046 N ASP A 353 49.307 -15.694 -28.622 1.00 29.35 N ATOM 1047 CA ASP A 353 49.601 -14.540 -29.463 1.00 35.41 C ATOM 1048 C ASP A 353 48.915 -13.261 -28.997 1.00 31.10 C ATOM 1049 O ASP A 353 49.226 -12.187 -29.521 1.00 44.05 O ATOM 1050 CB ASP A 353 49.204 -14.864 -30.902 1.00 40.92 C ATOM 1051 CG ASP A 353 49.687 -16.247 -31.330 1.00 61.96 C ATOM 1052 OD1 ASP A 353 48.849 -17.190 -31.359 1.00 50.39 O ATOM 1053 OD2 ASP A 353 50.902 -16.385 -31.633 1.00 56.33 O ATOM 1054 H ASP A 353 48.546 -16.352 -28.885 1.00 0.00 H ATOM 1055 N MET A 354 48.010 -13.340 -28.028 1.00 34.26 N ATOM 1056 CA MET A 354 47.285 -12.179 -27.536 1.00 30.84 C ATOM 1057 C MET A 354 47.856 -11.725 -26.195 1.00 30.39 C ATOM 1058 O MET A 354 48.384 -12.526 -25.421 1.00 34.13 O ATOM 1059 CB MET A 354 45.794 -12.498 -27.401 1.00 28.36 C ATOM 1060 CG MET A 354 45.203 -13.243 -28.599 1.00 37.95 C ATOM 1061 SD MET A 354 43.399 -13.458 -28.631 1.00 47.46 S ATOM 1062 CE MET A 354 42.821 -11.780 -28.374 1.00 52.92 C ATOM 1063 H MET A 354 47.812 -14.269 -27.604 1.00 0.00 H ATOM 1064 N GLN A 355 47.769 -10.426 -25.939 1.00 24.90 N ATOM 1065 CA GLN A 355 48.117 -9.871 -24.639 1.00 31.10 C ATOM 1066 C GLN A 355 46.899 -9.833 -23.727 1.00 22.37 C ATOM 1067 O GLN A 355 45.761 -9.820 -24.199 1.00 21.79 O ATOM 1068 CB GLN A 355 48.662 -8.457 -24.799 1.00 26.97 C ATOM 1069 CG GLN A 355 49.835 -8.329 -25.722 1.00 33.73 C ATOM 1070 CD GLN A 355 50.748 -7.185 -25.304 1.00 64.59 C ATOM 1071 OE1 GLN A 355 50.917 -6.210 -26.042 1.00 59.87 O ATOM 1072 NE2 GLN A 355 51.341 -7.298 -24.103 1.00 52.80 N ATOM 1073 HE22 GLN A 355 51.169 -8.138 -23.515 1.00 0.00 H ATOM 1074 HE21 GLN A 355 51.972 -6.545 -23.762 1.00 0.00 H ATOM 1075 H GLN A 355 47.442 -9.785 -26.690 1.00 0.00 H ATOM 1076 N PRO A 356 47.103 -9.785 -22.410 1.00 27.49 N ATOM 1077 CA PRO A 356 45.991 -9.451 -21.512 1.00 20.81 C ATOM 1078 C PRO A 356 45.369 -8.116 -21.900 1.00 27.55 C ATOM 1079 O PRO A 356 46.022 -7.250 -22.488 1.00 21.75 O ATOM 1080 CB PRO A 356 46.658 -9.374 -20.133 1.00 21.24 C ATOM 1081 CG PRO A 356 47.870 -10.239 -20.260 1.00 23.83 C ATOM 1082 CD PRO A 356 48.357 -10.019 -21.669 1.00 24.89 C ATOM 1083 N PHE A 357 44.081 -7.965 -21.601 1.00 19.02 N ATOM 1084 CA PHE A 357 43.408 -6.706 -21.884 1.00 19.43 C ATOM 1085 C PHE A 357 42.351 -6.461 -20.814 1.00 23.75 C ATOM 1086 O PHE A 357 42.029 -7.337 -20.009 1.00 19.34 O ATOM 1087 CB PHE A 357 42.803 -6.690 -23.293 1.00 17.70 C ATOM 1088 CG PHE A 357 41.809 -7.794 -23.544 1.00 25.49 C ATOM 1089 CD1 PHE A 357 40.467 -7.615 -23.273 1.00 23.79 C ATOM 1090 CD2 PHE A 357 42.223 -9.018 -24.049 1.00 25.15 C ATOM 1091 CE1 PHE A 357 39.550 -8.643 -23.509 1.00 26.32 C ATOM 1092 CE2 PHE A 357 41.314 -10.043 -24.275 1.00 33.94 C ATOM 1093 CZ PHE A 357 39.979 -9.854 -24.007 1.00 26.03 C ATOM 1094 H PHE A 357 43.554 -8.748 -21.164 1.00 0.00 H ATOM 1095 N ILE A 358 41.834 -5.238 -20.802 1.00 17.98 N ATOM 1096 CA ILE A 358 40.829 -4.804 -19.847 1.00 18.06 C ATOM 1097 C ILE A 358 39.516 -4.667 -20.598 1.00 20.69 C ATOM 1098 O ILE A 358 39.428 -3.919 -21.579 1.00 22.31 O ATOM 1099 CB ILE A 358 41.220 -3.480 -19.181 1.00 19.64 C ATOM 1100 CG1 ILE A 358 42.541 -3.620 -18.425 1.00 18.48 C ATOM 1101 CG2 ILE A 358 40.115 -2.972 -18.254 1.00 18.55 C ATOM 1102 CD1 ILE A 358 43.161 -2.268 -18.123 1.00 18.11 C ATOM 1103 H ILE A 358 42.166 -4.555 -21.513 1.00 0.00 H ATOM 1104 N MET A 359 38.507 -5.397 -20.154 1.00 15.25 N ATOM 1105 CA MET A 359 37.153 -5.256 -20.670 1.00 19.71 C ATOM 1106 C MET A 359 36.369 -4.342 -19.741 1.00 19.44 C ATOM 1107 O MET A 359 36.410 -4.514 -18.520 1.00 17.30 O ATOM 1108 CB MET A 359 36.449 -6.607 -20.769 1.00 23.80 C ATOM 1109 CG MET A 359 36.865 -7.447 -21.946 1.00 36.42 C ATOM 1110 SD MET A 359 36.693 -6.607 -23.545 1.00 48.04 S ATOM 1111 CE MET A 359 34.925 -6.593 -23.798 1.00 28.74 C ATOM 1112 H MET A 359 38.687 -6.099 -19.408 1.00 0.00 H ATOM 1113 N GLY A 360 35.668 -3.389 -20.315 1.00 15.88 N ATOM 1114 CA GLY A 360 34.871 -2.454 -19.539 1.00 14.98 C ATOM 1115 C GLY A 360 33.450 -2.445 -20.055 1.00 16.71 C ATOM 1116 O GLY A 360 33.215 -2.565 -21.254 1.00 15.02 O ATOM 1117 H GLY A 360 35.684 -3.302 -21.351 1.00 0.00 H ATOM 1118 N ILE A 361 32.501 -2.338 -19.135 1.00 18.18 N ATOM 1119 CA ILE A 361 31.106 -2.159 -19.516 1.00 14.62 C ATOM 1120 C ILE A 361 30.614 -0.870 -18.880 1.00 13.88 C ATOM 1121 O ILE A 361 30.878 -0.607 -17.702 1.00 16.09 O ATOM 1122 CB ILE A 361 30.223 -3.366 -19.132 1.00 22.48 C ATOM 1123 CG1 ILE A 361 28.788 -3.122 -19.586 1.00 20.30 C ATOM 1124 CG2 ILE A 361 30.249 -3.643 -17.634 1.00 18.69 C ATOM 1125 CD1 ILE A 361 28.095 -4.324 -20.220 1.00 28.24 C ATOM 1126 H ILE A 361 32.756 -2.382 -18.128 1.00 0.00 H ATOM 1127 N HIS A 362 29.922 -0.065 -19.670 1.00 13.74 N ATOM 1128 CA HIS A 362 29.408 1.227 -19.243 1.00 16.47 C ATOM 1129 C HIS A 362 27.893 1.152 -19.339 1.00 14.46 C ATOM 1130 O HIS A 362 27.351 0.913 -20.418 1.00 17.40 O ATOM 1131 CB HIS A 362 30.010 2.326 -20.124 1.00 19.04 C ATOM 1132 CG HIS A 362 31.491 2.185 -20.279 1.00 15.04 C ATOM 1133 ND1 HIS A 362 32.389 2.910 -19.524 1.00 20.28 N ATOM 1134 CD2 HIS A 362 32.232 1.330 -21.025 1.00 17.93 C ATOM 1135 CE1 HIS A 362 33.619 2.543 -19.834 1.00 22.43 C ATOM 1136 NE2 HIS A 362 33.553 1.580 -20.737 1.00 23.50 N ATOM 1137 H HIS A 362 29.736 -0.372 -20.646 1.00 0.00 H ATOM 1138 N ILE A 363 27.210 1.293 -18.215 1.00 13.75 N ATOM 1139 CA ILE A 363 25.767 1.082 -18.165 1.00 18.79 C ATOM 1140 C ILE A 363 25.096 2.417 -17.873 1.00 14.58 C ATOM 1141 O ILE A 363 25.478 3.110 -16.924 1.00 20.12 O ATOM 1142 CB ILE A 363 25.400 0.018 -17.114 1.00 25.48 C ATOM 1143 CG1 ILE A 363 25.944 -1.342 -17.548 1.00 23.08 C ATOM 1144 CG2 ILE A 363 23.884 -0.050 -16.880 1.00 16.92 C ATOM 1145 CD1 ILE A 363 26.376 -2.218 -16.385 1.00 18.09 C ATOM 1146 H ILE A 363 27.714 1.561 -17.346 1.00 0.00 H ATOM 1147 N ILE A 364 24.116 2.784 -18.702 1.00 22.41 N ATOM 1148 CA ILE A 364 23.331 3.999 -18.495 1.00 23.02 C ATOM 1149 C ILE A 364 22.274 3.736 -17.432 1.00 29.96 C ATOM 1150 O ILE A 364 21.598 2.699 -17.452 1.00 28.39 O ATOM 1151 CB ILE A 364 22.686 4.461 -19.806 1.00 33.85 C ATOM 1152 CG1 ILE A 364 23.652 4.238 -20.962 1.00 33.43 C ATOM 1153 CG2 ILE A 364 22.331 5.934 -19.728 1.00 33.21 C ATOM 1154 CD1 ILE A 364 24.889 5.066 -20.860 1.00 26.62 C ATOM 1155 H ILE A 364 23.904 2.184 -19.524 1.00 0.00 H ATOM 1156 N ASP A 365 22.132 4.670 -16.497 1.00 31.28 N ATOM 1157 CA ASP A 365 21.267 4.454 -15.336 1.00 39.89 C ATOM 1158 C ASP A 365 19.867 5.015 -15.579 1.00 35.32 C ATOM 1159 O ASP A 365 19.380 5.033 -16.712 1.00 40.19 O ATOM 1160 CB ASP A 365 21.876 5.086 -14.071 1.00 40.21 C ATOM 1161 CG ASP A 365 23.316 4.581 -13.760 1.00 50.34 C ATOM 1162 OD1 ASP A 365 23.743 3.488 -14.246 1.00 41.65 O ATOM 1163 OD2 ASP A 365 24.025 5.293 -13.005 1.00 42.85 O ATOM 1164 H ASP A 365 22.644 5.570 -16.592 1.00 0.00 H TER 1165 ASP A 365 HETATM 1166 O HOH 1 46.056 -7.944 -4.603 1.00 40.55 O HETATM 1167 O HOH 2 41.626 10.840 -16.865 1.00 25.76 O HETATM 1168 O HOH 3 39.892 5.013 -6.231 1.00 33.09 O HETATM 1169 O HOH 4 47.103 -5.221 -23.666 1.00 33.97 O HETATM 1170 O HOH 5 22.929 -3.399 -23.342 1.00 39.35 O HETATM 1171 O HOH 6 39.097 -4.297 -6.985 1.00 17.50 O HETATM 1172 O HOH 7 23.805 -4.199 -33.606 1.00 50.55 O HETATM 1173 O HOH 8 19.979 1.022 -18.708 1.00 35.92 O HETATM 1174 O HOH 9 26.235 -1.121 -27.167 1.00 29.39 O HETATM 1175 O HOH 10 34.127 15.172 -13.442 1.00 27.84 O HETATM 1176 O HOH 11 40.087 -9.904 -8.966 1.00 25.10 O HETATM 1177 O HOH 12 41.704 3.359 -7.713 1.00 40.46 O HETATM 1178 O HOH 13 37.210 14.012 -20.474 1.00 35.12 O HETATM 1179 O HOH 14 28.086 16.283 -20.721 1.00 30.68 O HETATM 1180 O HOH 15 23.264 6.892 -9.454 1.00 35.27 O HETATM 1181 O HOH 16 41.059 -23.912 -18.654 1.00 39.52 O HETATM 1182 O HOH 17 20.674 0.667 -15.935 1.00 35.53 O HETATM 1183 O HOH 18 27.054 -3.764 -24.131 1.00 34.79 O HETATM 1184 O HOH 19 35.609 10.732 -14.132 1.00 20.55 O HETATM 1185 O HOH 20 32.637 13.077 -14.754 1.00 36.61 O HETATM 1186 O HOH 21 48.903 -6.966 -7.872 1.00 44.88 O HETATM 1187 O HOH 22 30.357 14.446 -21.489 1.00 32.46 O HETATM 1188 O HOH 23 37.890 -1.207 -21.044 1.00 25.09 O HETATM 1189 O HOH 24 32.519 1.106 -32.641 1.00 38.41 O HETATM 1190 O HOH 25 47.322 5.431 -21.767 1.00 33.30 O HETATM 1191 O HOH 26 36.681 9.894 -6.540 1.00 34.95 O HETATM 1192 O HOH 27 42.437 4.931 -28.902 1.00 28.44 O HETATM 1193 O HOH 28 22.461 -1.191 -24.912 1.00 38.04 O HETATM 1194 O HOH 29 42.687 5.634 -25.358 1.00 27.68 O HETATM 1195 O HOH 30 23.778 20.779 -29.026 1.00 42.31 O HETATM 1196 O HOH 31 26.232 -3.085 -12.520 1.00 36.28 O HETATM 1197 O HOH 32 21.965 1.254 -13.792 1.00 41.72 O HETATM 1198 O HOH 33 34.994 -3.459 -27.689 1.00 31.77 O HETATM 1199 O HOH 34 34.739 -3.120 -7.319 1.00 17.41 O HETATM 1200 O HOH 35 40.174 3.135 -17.473 1.00 17.49 O HETATM 1201 O HOH 36 30.442 -2.596 -32.476 1.00 40.91 O HETATM 1202 O HOH 37 39.738 -2.817 -3.142 1.00 40.35 O HETATM 1203 O HOH 38 33.837 -5.644 -12.750 1.00 40.08 O HETATM 1204 O HOH 39 20.401 7.841 -16.536 1.00 29.69 O HETATM 1205 O HOH 40 37.088 -0.252 -7.937 1.00 15.11 O HETATM 1206 O HOH 41 49.241 2.815 -25.956 1.00 44.39 O HETATM 1207 O HOH 42 16.995 4.407 -14.891 1.00 52.11 O HETATM 1208 O HOH 43 30.446 11.482 -10.009 1.00 43.00 O HETATM 1209 O HOH 44 40.497 -16.946 -23.785 1.00 37.97 O HETATM 1210 O HOH 45 47.360 -13.863 -21.804 1.00 42.44 O HETATM 1211 O HOH 46 39.559 14.005 -19.945 1.00 36.29 O HETATM 1212 O HOH 47 49.664 -20.209 -31.160 1.00 48.01 O HETATM 1213 O HOH 48 42.283 -16.782 -26.975 1.00 31.55 O HETATM 1214 O HOH 49 27.195 -3.704 -26.989 1.00 40.45 O HETATM 1215 O HOH 50 37.186 -2.410 -6.219 1.00 19.05 O HETATM 1216 O HOH 51 19.894 16.569 -30.696 1.00 44.50 O HETATM 1217 O HOH 52 39.962 13.975 -25.708 1.00 35.22 O HETATM 1218 O HOH 53 44.362 12.694 -24.015 1.00 31.88 O HETATM 1219 O HOH 54 44.956 3.605 -38.432 1.00 41.55 O HETATM 1220 O HOH 55 45.582 10.322 -30.797 1.00 39.13 O HETATM 1221 O HOH 56 42.574 5.809 -22.666 1.00 21.63 O HETATM 1222 O HOH 57 44.605 5.804 -32.506 1.00 45.54 O HETATM 1223 O HOH 58 41.894 4.912 -31.789 1.00 31.18 O HETATM 1224 O HOH 59 45.530 9.105 -26.053 1.00 39.11 O HETATM 1225 N LEU A 60 46.973 7.044 -17.057 1.00 0.24 N HETATM 1226 CA LEU A 60 46.740 6.823 -18.482 1.00 0.07 C HETATM 1227 C LEU A 60 46.348 8.125 -19.174 1.00 0.23 C HETATM 1228 O LEU A 60 46.070 9.134 -18.516 1.00 -0.39 O HETATM 1229 N LEU A 60 46.340 8.094 -20.523 1.00 -0.26 N HETATM 1230 CA LEU A 60 45.938 9.201 -21.381 1.00 0.13 C HETATM 1231 C LEU A 60 44.490 9.034 -21.782 1.00 0.21 C HETATM 1232 O LEU A 60 44.093 7.935 -22.186 1.00 -0.39 O HETATM 1233 N LEU A 60 43.671 10.081 -21.710 1.00 -0.25 N HETATM 1234 CA LEU A 60 42.333 9.978 -22.280 1.00 0.13 C HETATM 1235 C LEU A 60 42.414 9.874 -23.789 1.00 0.21 C HETATM 1236 O LEU A 60 43.393 10.325 -24.407 1.00 -0.39 O HETATM 1237 N LEU A 60 41.424 9.263 -24.423 1.00 -0.25 N HETATM 1238 CA LEU A 60 41.405 9.266 -25.882 1.00 0.13 C HETATM 1239 C LEU A 60 41.251 10.684 -26.403 1.00 0.20 C HETATM 1240 O LEU A 60 40.477 11.481 -25.872 1.00 -0.39 O HETATM 1241 N LEU A 60 42.025 10.999 -27.432 1.00 -0.26 N HETATM 1242 CA LEU A 60 41.830 12.225 -28.177 1.00 0.16 C HETATM 1243 C LEU A 60 40.611 12.074 -29.082 1.00 0.21 C HETATM 1244 O LEU A 60 40.104 10.973 -29.305 1.00 -0.39 O HETATM 1245 N LEU A 60 40.160 13.198 -29.638 1.00 -0.26 N HETATM 1246 CA LEU A 60 39.028 13.162 -30.562 1.00 0.13 C HETATM 1247 C LEU A 60 39.318 12.326 -31.805 1.00 0.20 C HETATM 1248 O LEU A 60 38.400 11.745 -32.397 1.00 -0.39 O HETATM 1249 N LEU A 60 40.584 12.274 -32.226 1.00 -0.26 N HETATM 1250 CA LEU A 60 40.933 11.434 -33.363 1.00 0.13 C HETATM 1251 C LEU A 60 40.931 9.961 -32.980 1.00 0.20 C HETATM 1252 O LEU A 60 40.542 9.118 -33.795 1.00 -0.39 O HETATM 1253 N LEU A 60 41.350 9.633 -31.748 1.00 -0.26 N HETATM 1254 CA LEU A 60 41.276 8.250 -31.278 1.00 0.14 C HETATM 1255 C LEU A 60 39.849 7.750 -31.318 1.00 0.21 C HETATM 1256 O LEU A 60 39.575 6.652 -31.821 1.00 -0.39 O HETATM 1257 N LEU A 60 38.927 8.540 -30.769 1.00 -0.26 N HETATM 1258 CA LEU A 60 37.529 8.168 -30.733 1.00 0.13 C HETATM 1259 C LEU A 60 36.987 8.073 -32.143 1.00 0.20 C HETATM 1260 O LEU A 60 36.325 7.097 -32.480 1.00 -0.39 O HETATM 1261 N LEU A 60 37.288 9.070 -32.970 1.00 -0.27 N HETATM 1262 CA LEU A 60 36.851 9.040 -34.376 1.00 0.13 C HETATM 1263 C LEU A 60 37.201 7.640 -35.011 1.00 0.23 C HETATM 1264 O LEU A 60 36.316 6.967 -35.596 1.00 -0.34 O HETATM 1265 N LEU A 60 38.452 7.230 -34.862 1.00 -0.26 N HETATM 1266 CA LEU A 60 38.908 5.962 -35.392 1.00 0.13 C HETATM 1267 C LEU A 60 38.136 4.771 -34.811 1.00 0.20 C HETATM 1268 O LEU A 60 37.819 3.816 -35.522 1.00 -0.39 O HETATM 1269 N LEU A 60 37.821 4.837 -33.521 1.00 -0.26 N HETATM 1270 CA LEU A 60 37.135 3.742 -32.859 1.00 0.13 C HETATM 1271 C LEU A 60 35.747 3.552 -33.437 1.00 0.20 C HETATM 1272 O LEU A 60 35.251 2.434 -33.500 1.00 -0.39 O HETATM 1273 N LEU A 60 35.121 4.641 -33.873 1.00 -0.26 N HETATM 1274 CA LEU A 60 33.823 4.536 -34.505 1.00 0.13 C HETATM 1275 C LEU A 60 33.936 4.186 -35.991 1.00 0.20 C HETATM 1276 O LEU A 60 33.169 3.385 -36.525 1.00 -0.39 O HETATM 1277 N LEU A 60 34.915 4.796 -36.671 1.00 -0.27 N HETATM 1278 CA LEU A 60 35.099 4.597 -38.126 1.00 0.13 C HETATM 1279 C LEU A 60 35.337 3.092 -38.505 1.00 0.23 C HETATM 1280 O LEU A 60 34.754 2.607 -39.505 1.00 -0.34 O HETATM 1281 N LEU A 60 36.185 2.404 -37.749 1.00 -0.26 N HETATM 1282 CA LEU A 60 36.576 1.058 -38.125 1.00 0.14 C HETATM 1283 C LEU A 60 35.950 -0.019 -37.220 1.00 0.20 C HETATM 1284 O LEU A 60 35.284 0.283 -36.219 1.00 -0.39 O HETATM 1285 N LEU A 60 36.154 -1.279 -37.596 1.00 -0.30 N HETATM 1286 H147 LEU A 60 35.776 -2.030 -37.054 1.00 0.18 H HETATM 1287 H148 LEU A 60 36.685 -1.475 -38.420 1.00 0.18 H HETATM 1288 CB LEU A 60 38.104 0.955 -38.135 1.00 0.02 C HETATM 1289 CG LEU A 60 38.763 1.922 -39.094 1.00 -0.05 C HETATM 1290 CD1 LEU A 60 39.559 2.963 -38.626 1.00 -0.07 C HETATM 1291 CE1 LEU A 60 40.173 3.862 -39.510 1.00 -0.04 C HETATM 1292 CZ LEU A 60 39.990 3.720 -40.874 1.00 0.08 C HETATM 1293 CE2 LEU A 60 39.211 2.688 -41.364 1.00 -0.04 C HETATM 1294 CD2 LEU A 60 38.595 1.797 -40.466 1.00 -0.07 C HETATM 1295 H143 LEU A 60 37.976 0.996 -40.854 1.00 0.05 H HETATM 1296 H145 LEU A 60 39.076 2.566 -42.433 1.00 0.05 H HETATM 1297 OH LEU A 60 40.599 4.615 -41.739 1.00 -0.34 O HETATM 1298 H146 LEU A 60 41.091 5.254 -41.237 1.00 0.25 H HETATM 1299 H144 LEU A 60 40.790 4.666 -39.126 1.00 0.05 H HETATM 1300 H142 LEU A 60 39.707 3.081 -37.559 1.00 0.05 H HETATM 1301 H140 LEU A 60 38.383 -0.069 -38.425 1.00 0.05 H HETATM 1302 H141 LEU A 60 38.474 1.163 -37.120 1.00 0.05 H HETATM 1303 H139 LEU A 60 36.216 0.878 -39.148 1.00 0.08 H HETATM 1304 H138 LEU A 60 36.556 2.816 -36.916 1.00 0.19 H HETATM 1305 CB LEU A 60 36.383 5.196 -38.700 1.00 -0.02 C HETATM 1306 CG LEU A 60 36.312 6.641 -39.120 1.00 -0.05 C HETATM 1307 CD LEU A 60 37.715 7.091 -39.494 1.00 -0.05 C HETATM 1308 CE LEU A 60 37.723 8.539 -39.750 1.00 -0.05 C HETATM 1309 CE LEU A 60 37.993 9.780 -38.971 1.00 -0.05 C HETATM 1310 CD LEU A 60 38.187 9.426 -37.553 1.00 -0.05 C HETATM 1311 CG LEU A 60 37.139 10.132 -36.694 1.00 -0.05 C HETATM 1312 CB LEU A 60 37.550 10.125 -35.230 1.00 -0.02 C HETATM 1313 H76 LEU A 60 38.636 9.957 -35.178 1.00 0.03 H HETATM 1314 H77 LEU A 60 37.310 11.109 -34.800 1.00 0.03 H HETATM 1315 H82 LEU A 60 37.035 11.173 -37.035 1.00 0.03 H HETATM 1316 H83 LEU A 60 36.175 9.613 -36.801 1.00 0.03 H HETATM 1317 H78 LEU A 60 39.192 9.739 -37.233 1.00 0.03 H HETATM 1318 H79 LEU A 60 38.085 8.338 -37.431 1.00 0.03 H HETATM 1319 H80 LEU A 60 38.901 10.267 -39.357 1.00 0.03 H HETATM 1320 H81 LEU A 60 37.140 10.467 -39.066 1.00 0.03 H HETATM 1321 H131 LEU A 60 38.438 8.625 -40.581 1.00 0.03 H HETATM 1322 H132 LEU A 60 36.704 8.715 -40.124 1.00 0.03 H HETATM 1323 H129 LEU A 60 38.404 6.863 -38.667 1.00 0.03 H HETATM 1324 H130 LEU A 60 38.040 6.558 -40.400 1.00 0.03 H HETATM 1325 H133 LEU A 60 35.933 7.253 -38.288 1.00 0.03 H HETATM 1326 H134 LEU A 60 35.643 6.745 -39.987 1.00 0.03 H HETATM 1327 H127 LEU A 60 36.665 4.603 -39.583 1.00 0.03 H HETATM 1328 H128 LEU A 60 37.167 5.107 -37.933 1.00 0.03 H HETATM 1329 CB1 LEU A 60 33.901 5.105 -38.929 1.00 -0.03 C HETATM 1330 H135 LEU A 60 34.081 4.937 -40.001 1.00 0.02 H HETATM 1331 H136 LEU A 60 33.765 6.181 -38.744 1.00 0.02 H HETATM 1332 H137 LEU A 60 32.996 4.562 -38.620 1.00 0.02 H HETATM 1333 H126 LEU A 60 35.540 5.404 -36.181 1.00 0.18 H HETATM 1334 CB LEU A 60 32.977 5.810 -34.403 1.00 -0.01 C HETATM 1335 CG LEU A 60 32.945 6.317 -32.977 1.00 -0.04 C HETATM 1336 CD2 LEU A 60 32.173 7.634 -32.940 1.00 -0.05 C HETATM 1337 CE2 LEU A 60 32.028 8.141 -31.529 1.00 -0.05 C HETATM 1338 CZ LEU A 60 31.310 7.092 -30.712 1.00 -0.05 C HETATM 1339 CE1 LEU A 60 32.109 5.801 -30.665 1.00 -0.05 C HETATM 1340 CD1 LEU A 60 32.346 5.257 -32.061 1.00 -0.05 C HETATM 1341 H124 LEU A 60 33.038 4.404 -32.000 1.00 0.03 H HETATM 1342 H125 LEU A 60 31.387 4.921 -32.482 1.00 0.03 H HETATM 1343 H122 LEU A 60 31.553 5.055 -30.078 1.00 0.03 H HETATM 1344 H123 LEU A 60 33.080 5.996 -30.185 1.00 0.03 H HETATM 1345 H120 LEU A 60 30.328 6.892 -31.166 1.00 0.03 H HETATM 1346 H121 LEU A 60 31.171 7.467 -29.687 1.00 0.03 H HETATM 1347 H118 LEU A 60 31.445 9.074 -31.528 1.00 0.03 H HETATM 1348 H119 LEU A 60 33.023 8.329 -31.099 1.00 0.03 H HETATM 1349 H116 LEU A 60 31.172 7.476 -33.369 1.00 0.03 H HETATM 1350 H117 LEU A 60 32.713 8.384 -33.537 1.00 0.03 H HETATM 1351 H115 LEU A 60 33.976 6.511 -32.645 1.00 0.03 H HETATM 1352 H113 LEU A 60 31.951 5.589 -34.731 1.00 0.03 H HETATM 1353 H114 LEU A 60 33.411 6.585 -35.052 1.00 0.03 H HETATM 1354 H112 LEU A 60 33.280 3.725 -33.997 1.00 0.08 H HETATM 1355 H111 LEU A 60 35.550 5.538 -33.764 1.00 0.19 H HETATM 1356 CB LEU A 60 37.052 3.987 -31.358 1.00 -0.01 C HETATM 1357 CG LEU A 60 38.407 3.852 -30.668 1.00 -0.04 C HETATM 1358 CD1 LEU A 60 38.363 4.514 -29.287 1.00 -0.06 C HETATM 1359 H105 LEU A 60 39.344 4.411 -28.799 1.00 0.02 H HETATM 1360 H106 LEU A 60 37.594 4.026 -28.671 1.00 0.02 H HETATM 1361 H107 LEU A 60 38.120 5.581 -29.399 1.00 0.02 H HETATM 1362 CD2 LEU A 60 38.867 2.383 -30.597 1.00 -0.06 C HETATM 1363 H108 LEU A 60 38.882 1.954 -31.610 1.00 0.02 H HETATM 1364 H109 LEU A 60 38.170 1.811 -29.967 1.00 0.02 H HETATM 1365 H110 LEU A 60 39.877 2.336 -30.164 1.00 0.02 H HETATM 1366 H104 LEU A 60 39.146 4.396 -31.274 1.00 0.03 H HETATM 1367 H102 LEU A 60 36.358 3.255 -30.919 1.00 0.03 H HETATM 1368 H103 LEU A 60 36.669 5.004 -31.187 1.00 0.03 H HETATM 1369 H101 LEU A 60 37.711 2.820 -33.029 1.00 0.08 H HETATM 1370 H100 LEU A 60 38.061 5.655 -32.998 1.00 0.19 H HETATM 1371 CB LEU A 60 40.394 5.802 -35.116 1.00 -0.01 C HETATM 1372 CG LEU A 60 41.281 6.573 -36.052 1.00 -0.04 C HETATM 1373 CD LEU A 60 42.371 5.673 -36.603 1.00 -0.01 C HETATM 1374 CE LEU A 60 43.667 5.884 -35.865 1.00 -0.04 C HETATM 1375 NZ LEU A 60 44.654 4.799 -36.146 1.00 0.22 N HETATM 1376 H97 LEU A 60 45.504 4.978 -35.635 1.00 0.20 H HETATM 1377 H98 LEU A 60 44.855 4.775 -37.133 1.00 0.20 H HETATM 1378 H99 LEU A 60 44.270 3.912 -35.859 1.00 0.20 H HETATM 1379 H95 LEU A 60 43.461 5.906 -34.785 1.00 0.08 H HETATM 1380 H96 LEU A 60 44.100 6.847 -36.175 1.00 0.08 H HETATM 1381 H93 LEU A 60 42.522 5.901 -37.668 1.00 0.03 H HETATM 1382 H94 LEU A 60 42.061 4.623 -36.493 1.00 0.03 H HETATM 1383 H91 LEU A 60 41.742 7.411 -35.508 1.00 0.03 H HETATM 1384 H92 LEU A 60 40.678 6.964 -36.885 1.00 0.03 H HETATM 1385 H89 LEU A 60 40.648 4.735 -35.201 1.00 0.03 H HETATM 1386 H90 LEU A 60 40.593 6.146 -34.090 1.00 0.03 H HETATM 1387 H88 LEU A 60 38.752 5.970 -36.481 1.00 0.08 H HETATM 1388 H87 LEU A 60 39.099 7.812 -34.370 1.00 0.19 H HETATM 1389 CB1 LEU A 60 35.333 9.173 -34.505 1.00 -0.03 C HETATM 1390 H84 LEU A 60 35.052 9.146 -35.568 1.00 0.02 H HETATM 1391 H85 LEU A 60 35.010 10.128 -34.065 1.00 0.02 H HETATM 1392 H86 LEU A 60 34.846 8.341 -33.975 1.00 0.02 H HETATM 1393 H75 LEU A 60 37.817 9.849 -32.633 1.00 0.18 H HETATM 1394 CB LEU A 60 36.716 9.163 -29.899 1.00 -0.01 C HETATM 1395 CG LEU A 60 36.712 8.671 -28.455 1.00 -0.04 C HETATM 1396 CD1 LEU A 60 36.489 9.807 -27.480 1.00 -0.06 C HETATM 1397 H69 LEU A 60 36.492 9.414 -26.453 1.00 0.02 H HETATM 1398 H70 LEU A 60 35.519 10.283 -27.687 1.00 0.02 H HETATM 1399 H71 LEU A 60 37.293 10.549 -27.592 1.00 0.02 H HETATM 1400 CD2 LEU A 60 35.661 7.577 -28.280 1.00 -0.06 C HETATM 1401 H72 LEU A 60 35.850 6.768 -29.001 1.00 0.02 H HETATM 1402 H73 LEU A 60 34.660 7.998 -28.456 1.00 0.02 H HETATM 1403 H74 LEU A 60 35.715 7.176 -27.257 1.00 0.02 H HETATM 1404 H68 LEU A 60 37.699 8.234 -28.241 1.00 0.03 H HETATM 1405 H66 LEU A 60 35.685 9.215 -30.279 1.00 0.03 H HETATM 1406 H67 LEU A 60 37.177 10.160 -29.953 1.00 0.03 H HETATM 1407 H65 LEU A 60 37.446 7.178 -30.262 1.00 0.08 H HETATM 1408 H64 LEU A 60 39.209 9.413 -30.371 1.00 0.19 H HETATM 1409 CB LEU A 60 41.798 8.117 -29.847 1.00 0.04 C HETATM 1410 CG LEU A 60 43.290 8.302 -29.735 1.00 0.04 C HETATM 1411 OD1 LEU A 60 44.030 7.856 -30.651 1.00 -0.57 O HETATM 1412 OD2 LEU A 60 43.718 8.875 -28.698 1.00 -0.57 O HETATM 1413 H62 LEU A 60 41.542 7.114 -29.474 1.00 0.05 H HETATM 1414 H63 LEU A 60 41.305 8.877 -29.224 1.00 0.05 H HETATM 1415 H61 LEU A 60 41.893 7.625 -31.940 1.00 0.08 H HETATM 1416 H60 LEU A 60 41.717 10.342 -31.145 1.00 0.19 H HETATM 1417 CB LEU A 60 42.294 11.843 -33.928 1.00 0.00 C HETATM 1418 CG LEU A 60 42.988 10.780 -34.807 1.00 0.04 C HETATM 1419 CD LEU A 60 44.491 10.559 -34.494 1.00 0.17 C HETATM 1420 OE1 LEU A 60 44.904 10.382 -33.332 1.00 -0.40 O HETATM 1421 NE2 LEU A 60 45.306 10.554 -35.550 1.00 -0.30 N HETATM 1422 H58 LEU A 60 46.288 10.417 -35.423 1.00 0.18 H HETATM 1423 H59 LEU A 60 44.935 10.687 -36.469 1.00 0.18 H HETATM 1424 H56 LEU A 60 42.900 11.094 -35.858 1.00 0.05 H HETATM 1425 H57 LEU A 60 42.464 9.823 -34.665 1.00 0.05 H HETATM 1426 H54 LEU A 60 42.959 12.072 -33.082 1.00 0.03 H HETATM 1427 H55 LEU A 60 42.151 12.748 -34.537 1.00 0.03 H HETATM 1428 H53 LEU A 60 40.175 11.585 -34.146 1.00 0.08 H HETATM 1429 H52 LEU A 60 41.290 12.810 -31.762 1.00 0.19 H HETATM 1430 CB LEU A 60 38.625 14.592 -30.956 1.00 -0.00 C HETATM 1431 CG LEU A 60 37.140 14.722 -31.321 1.00 0.00 C HETATM 1432 CD LEU A 60 36.197 14.510 -30.135 1.00 0.04 C HETATM 1433 OE1 LEU A 60 35.366 13.585 -30.171 1.00 -0.57 O HETATM 1434 OE2 LEU A 60 36.299 15.283 -29.162 1.00 -0.57 O HETATM 1435 H50 LEU A 60 36.904 13.973 -32.091 1.00 0.04 H HETATM 1436 H51 LEU A 60 36.968 15.730 -31.726 1.00 0.04 H HETATM 1437 H48 LEU A 60 39.227 14.898 -31.824 1.00 0.03 H HETATM 1438 H49 LEU A 60 38.837 15.261 -30.109 1.00 0.03 H HETATM 1439 H47 LEU A 60 38.180 12.698 -30.037 1.00 0.08 H HETATM 1440 H46 LEU A 60 40.598 14.070 -29.422 1.00 0.19 H HETATM 1441 CB LEU A 60 43.062 12.539 -29.032 1.00 0.09 C HETATM 1442 OG1 LEU A 60 43.126 11.593 -30.112 1.00 -0.39 O HETATM 1443 H42 LEU A 60 43.194 10.714 -29.758 1.00 0.21 H HETATM 1444 CG2 LEU A 60 44.360 12.436 -28.217 1.00 -0.03 C HETATM 1445 H43 LEU A 60 45.219 12.668 -28.864 1.00 0.03 H HETATM 1446 H44 LEU A 60 44.464 11.415 -27.821 1.00 0.03 H HETATM 1447 H45 LEU A 60 44.327 13.151 -27.382 1.00 0.03 H HETATM 1448 H41 LEU A 60 42.970 13.558 -29.436 1.00 0.06 H HETATM 1449 H40 LEU A 60 41.661 13.052 -27.472 1.00 0.08 H HETATM 1450 H39 LEU A 60 42.760 10.376 -27.700 1.00 0.19 H HETATM 1451 CB LEU A 60 40.188 8.399 -26.221 1.00 -0.01 C HETATM 1452 CG LEU A 60 39.293 8.551 -25.040 1.00 -0.03 C HETATM 1453 CD LEU A 60 40.209 8.649 -23.852 1.00 0.04 C HETATM 1454 H37 LEU A 60 39.774 9.287 -23.068 1.00 0.05 H HETATM 1455 H38 LEU A 60 40.426 7.654 -23.436 1.00 0.05 H HETATM 1456 H35 LEU A 60 38.631 7.678 -24.944 1.00 0.03 H HETATM 1457 H36 LEU A 60 38.685 9.463 -25.133 1.00 0.03 H HETATM 1458 H33 LEU A 60 40.483 7.348 -26.355 1.00 0.03 H HETATM 1459 H34 LEU A 60 39.694 8.760 -27.135 1.00 0.03 H HETATM 1460 H32 LEU A 60 42.325 8.824 -26.291 1.00 0.08 H HETATM 1461 CB LEU A 60 41.664 11.297 -21.840 1.00 -0.01 C HETATM 1462 CG LEU A 60 42.491 11.772 -20.683 1.00 -0.03 C HETATM 1463 CD LEU A 60 43.892 11.375 -21.056 1.00 0.04 C HETATM 1464 H30 LEU A 60 44.344 12.102 -21.747 1.00 0.05 H HETATM 1465 H31 LEU A 60 44.529 11.271 -20.166 1.00 0.05 H HETATM 1466 H28 LEU A 60 42.179 11.279 -19.750 1.00 0.03 H HETATM 1467 H29 LEU A 60 42.411 12.863 -20.566 1.00 0.03 H HETATM 1468 H26 LEU A 60 40.624 11.120 -21.527 1.00 0.03 H HETATM 1469 H27 LEU A 60 41.681 12.033 -22.657 1.00 0.03 H HETATM 1470 H25 LEU A 60 41.793 9.108 -21.878 1.00 0.08 H HETATM 1471 CB LEU A 60 46.795 9.237 -22.637 1.00 -0.01 C HETATM 1472 CG LEU A 60 48.195 9.797 -22.481 1.00 -0.04 C HETATM 1473 CD1 LEU A 60 49.048 9.310 -23.625 1.00 -0.06 C HETATM 1474 H19 LEU A 60 50.067 9.712 -23.520 1.00 0.02 H HETATM 1475 H20 LEU A 60 48.615 9.652 -24.577 1.00 0.02 H HETATM 1476 H21 LEU A 60 49.084 8.211 -23.613 1.00 0.02 H HETATM 1477 CD2 LEU A 60 48.095 11.278 -22.498 1.00 -0.06 C HETATM 1478 H22 LEU A 60 47.470 11.613 -21.657 1.00 0.02 H HETATM 1479 H23 LEU A 60 47.641 11.604 -23.445 1.00 0.02 H HETATM 1480 H24 LEU A 60 49.100 11.714 -22.404 1.00 0.02 H HETATM 1481 H18 LEU A 60 48.632 9.464 -21.528 1.00 0.03 H HETATM 1482 H16 LEU A 60 46.270 9.851 -23.383 1.00 0.03 H HETATM 1483 H17 LEU A 60 46.886 8.206 -23.010 1.00 0.03 H HETATM 1484 H15 LEU A 60 46.059 10.146 -20.831 1.00 0.08 H HETATM 1485 H14 LEU A 60 46.632 7.247 -20.968 1.00 0.19 H HETATM 1486 CB LEU A 60 45.655 5.750 -18.699 1.00 0.01 C HETATM 1487 CG LEU A 60 44.158 6.089 -18.600 1.00 -0.04 C HETATM 1488 CD1 LEU A 60 43.303 4.902 -18.975 1.00 -0.06 C HETATM 1489 H8 LEU A 60 42.241 5.175 -18.895 1.00 0.02 H HETATM 1490 H9 LEU A 60 43.519 4.065 -18.295 1.00 0.02 H HETATM 1491 H10 LEU A 60 43.527 4.601 -20.009 1.00 0.02 H HETATM 1492 CD2 LEU A 60 43.792 6.509 -17.231 1.00 -0.06 C HETATM 1493 H11 LEU A 60 44.404 7.374 -16.937 1.00 0.02 H HETATM 1494 H12 LEU A 60 43.971 5.679 -16.532 1.00 0.02 H HETATM 1495 H13 LEU A 60 42.728 6.787 -17.205 1.00 0.02 H HETATM 1496 H7 LEU A 60 43.945 6.915 -19.294 1.00 0.03 H HETATM 1497 H5 LEU A 60 45.844 4.962 -17.955 1.00 0.03 H HETATM 1498 H6 LEU A 60 45.816 5.346 -19.710 1.00 0.03 H HETATM 1499 H4 LEU A 60 47.677 6.462 -18.931 1.00 0.11 H HETATM 1500 H1 LEU A 60 47.230 6.173 -16.620 1.00 0.20 H HETATM 1501 H2 LEU A 60 46.132 7.399 -16.630 1.00 0.20 H HETATM 1502 H3 LEU A 60 47.718 7.713 -16.938 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1225 1226 1500 1501 1502 CONECT 1226 1225 1227 1486 1499 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1485 CONECT 1230 1229 1231 1471 1484 CONECT 1231 1230 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1463 CONECT 1234 1233 1235 1461 1470 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 1238 1453 CONECT 1238 1237 1239 1451 1460 CONECT 1239 1238 1240 1241 CONECT 1240 1239 CONECT 1241 1239 1242 1450 CONECT 1242 1241 1243 1441 1449 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1440 CONECT 1246 1245 1247 1430 1439 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1429 CONECT 1250 1249 1251 1417 1428 CONECT 1251 1250 1252 1253 CONECT 1252 1251 CONECT 1253 1251 1254 1416 CONECT 1254 1253 1255 1409 1415 CONECT 1255 1254 1256 1257 CONECT 1256 1255 CONECT 1257 1255 1258 1408 CONECT 1258 1257 1259 1394 1407 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 1262 1393 CONECT 1262 1261 1263 1312 1389 CONECT 1263 1262 1264 1265 CONECT 1264 1263 CONECT 1265 1263 1266 1388 CONECT 1266 1265 1267 1371 1387 CONECT 1267 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 1270 1370 CONECT 1270 1269 1271 1356 1369 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 1274 1355 CONECT 1274 1273 1275 1334 1354 CONECT 1275 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 1278 1333 CONECT 1278 1277 1279 1305 1329 CONECT 1279 1278 1280 1281 CONECT 1280 1279 CONECT 1281 1279 1282 1304 CONECT 1282 1281 1283 1288 1303 CONECT 1283 1282 1284 1285 CONECT 1284 1283 CONECT 1285 1283 1286 1287 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1282 1289 1301 1302 CONECT 1289 1288 1290 1294 CONECT 1290 1289 1291 1300 CONECT 1291 1290 1292 1299 CONECT 1292 1291 1293 1297 CONECT 1293 1292 1294 1296 CONECT 1294 1289 1293 1295 CONECT 1295 1294 CONECT 1296 1293 CONECT 1297 1292 1298 CONECT 1298 1297 CONECT 1299 1291 CONECT 1300 1290 CONECT 1301 1288 CONECT 1302 1288 CONECT 1303 1282 CONECT 1304 1281 CONECT 1305 1278 1306 1327 1328 CONECT 1306 1305 1307 1325 1326 CONECT 1307 1306 1308 1323 1324 CONECT 1308 1307 1309 1321 1322 CONECT 1309 1308 1310 1319 1320 CONECT 1310 1309 1311 1317 1318 CONECT 1311 1310 1312 1315 1316 CONECT 1312 1262 1311 1313 1314 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1311 CONECT 1316 1311 CONECT 1317 1310 CONECT 1318 1310 CONECT 1319 1309 CONECT 1320 1309 CONECT 1321 1308 CONECT 1322 1308 CONECT 1323 1307 CONECT 1324 1307 CONECT 1325 1306 CONECT 1326 1306 CONECT 1327 1305 CONECT 1328 1305 CONECT 1329 1278 1330 1331 1332 CONECT 1330 1329 CONECT 1331 1329 CONECT 1332 1329 CONECT 1333 1277 CONECT 1334 1274 1335 1352 1353 CONECT 1335 1334 1336 1340 1351 CONECT 1336 1335 1337 1349 1350 CONECT 1337 1336 1338 1347 1348 CONECT 1338 1337 1339 1345 1346 CONECT 1339 1338 1340 1343 1344 CONECT 1340 1335 1339 1341 1342 CONECT 1341 1340 CONECT 1342 1340 CONECT 1343 1339 CONECT 1344 1339 CONECT 1345 1338 CONECT 1346 1338 CONECT 1347 1337 CONECT 1348 1337 CONECT 1349 1336 CONECT 1350 1336 CONECT 1351 1335 CONECT 1352 1334 CONECT 1353 1334 CONECT 1354 1274 CONECT 1355 1273 CONECT 1356 1270 1357 1367 1368 CONECT 1357 1356 1358 1362 1366 CONECT 1358 1357 1359 1360 1361 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1358 CONECT 1362 1357 1363 1364 1365 CONECT 1363 1362 CONECT 1364 1362 CONECT 1365 1362 CONECT 1366 1357 CONECT 1367 1356 CONECT 1368 1356 CONECT 1369 1270 CONECT 1370 1269 CONECT 1371 1266 1372 1385 1386 CONECT 1372 1371 1373 1383 1384 CONECT 1373 1372 1374 1381 1382 CONECT 1374 1373 1375 1379 1380 CONECT 1375 1374 1376 1377 1378 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1375 CONECT 1379 1374 CONECT 1380 1374 CONECT 1381 1373 CONECT 1382 1373 CONECT 1383 1372 CONECT 1384 1372 CONECT 1385 1371 CONECT 1386 1371 CONECT 1387 1266 CONECT 1388 1265 CONECT 1389 1262 1390 1391 1392 CONECT 1390 1389 CONECT 1391 1389 CONECT 1392 1389 CONECT 1393 1261 CONECT 1394 1258 1395 1405 1406 CONECT 1395 1394 1396 1400 1404 CONECT 1396 1395 1397 1398 1399 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1396 CONECT 1400 1395 1401 1402 1403 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1400 CONECT 1404 1395 CONECT 1405 1394 CONECT 1406 1394 CONECT 1407 1258 CONECT 1408 1257 CONECT 1409 1254 1410 1413 1414 CONECT 1410 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 CONECT 1413 1409 CONECT 1414 1409 CONECT 1415 1254 CONECT 1416 1253 CONECT 1417 1250 1418 1426 1427 CONECT 1418 1417 1419 1424 1425 CONECT 1419 1418 1420 1421 CONECT 1420 1419 CONECT 1421 1419 1422 1423 CONECT 1422 1421 CONECT 1423 1421 CONECT 1424 1418 CONECT 1425 1418 CONECT 1426 1417 CONECT 1427 1417 CONECT 1428 1250 CONECT 1429 1249 CONECT 1430 1246 1431 1437 1438 CONECT 1431 1430 1432 1435 1436 CONECT 1432 1431 1433 1434 CONECT 1433 1432 CONECT 1434 1432 CONECT 1435 1431 CONECT 1436 1431 CONECT 1437 1430 CONECT 1438 1430 CONECT 1439 1246 CONECT 1440 1245 CONECT 1441 1242 1442 1444 1448 CONECT 1442 1441 1443 CONECT 1443 1442 CONECT 1444 1441 1445 1446 1447 CONECT 1445 1444 CONECT 1446 1444 CONECT 1447 1444 CONECT 1448 1441 CONECT 1449 1242 CONECT 1450 1241 CONECT 1451 1238 1452 1458 1459 CONECT 1452 1451 1453 1456 1457 CONECT 1453 1237 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 CONECT 1456 1452 CONECT 1457 1452 CONECT 1458 1451 CONECT 1459 1451 CONECT 1460 1238 CONECT 1461 1234 1462 1468 1469 CONECT 1462 1461 1463 1466 1467 CONECT 1463 1233 1462 1464 1465 CONECT 1464 1463 CONECT 1465 1463 CONECT 1466 1462 CONECT 1467 1462 CONECT 1468 1461 CONECT 1469 1461 CONECT 1470 1234 CONECT 1471 1230 1472 1482 1483 CONECT 1472 1471 1473 1477 1481 CONECT 1473 1472 1474 1475 1476 CONECT 1474 1473 CONECT 1475 1473 CONECT 1476 1473 CONECT 1477 1472 1478 1479 1480 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1477 CONECT 1481 1472 CONECT 1482 1471 CONECT 1483 1471 CONECT 1484 1230 CONECT 1485 1229 CONECT 1486 1226 1487 1497 1498 CONECT 1487 1486 1488 1492 1496 CONECT 1488 1487 1489 1490 1491 CONECT 1489 1488 CONECT 1490 1488 CONECT 1491 1488 CONECT 1492 1487 1493 1494 1495 CONECT 1493 1492 CONECT 1494 1492 CONECT 1495 1492 CONECT 1496 1487 CONECT 1497 1486 CONECT 1498 1486 CONECT 1499 1226 CONECT 1500 1225 CONECT 1501 1225 CONECT 1502 1225 MASTER 0 0 0 0 0 0 0 0 1501 1 282 10 END
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Entry Information
PDB ID
5y7w
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
nuclear receptor coactivator 1
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
Ki=20nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Am. Chem. Soc. Vol. 139: pp. 16056-16059
Ligand Properties
Formula
C
9
0
H
1
5
0
N
1
8
O
2
2
Molecular Weight
1836.260
Exact Mass
1835.120
No. of atoms
280
No. of bonds
284
Polar Surface Area
646.34
LOGP Value
2.88 (
Computed with XLOGP3
)
5.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 54
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 5
Canonical SMILES
[NH3+]CCCC[C@@H]1NC(=O)[C@](C)(CCCCCCCC[C@@](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CC1CCCCC1)(C)C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])CC(C)C)CCC(=O)O)CCC(=O)N)CC(=O)O)CC(C)C
InChI String
InChI=1S/C90H148N18O22/c1-50(2)43-58(92)75(117)101-67(46-53(7)8)85(127)108-42-24-29-69(108)86(128)107-41-23-28-68(107)83(125)104-73(54(9)109)84(126)96-61(35-37-71(112)113)77(119)95-60(34-36-70(93)111)78(120)100-66(49-72(114)115)80(122)98-64(45-52(5)6)81(123)105-89(10)38-20-14-12-13-15-21-39-90(11,88(130)103-62(74(94)116)47-56-30-32-57(110)33-31-56)106-82(124)65(48-55-25-17-16-18-26-55)99-79(121)63(44-51(3)4)97-76(118)59(102-87(89)129)27-19-22-40-91/h30-33,50-55,58-69,73,109-110H,12-29,34-49,91-92H2,1-11H3,(H2,93,111)(H2,94,116)(H,95,119)(H,96,126)(H,97,118)(H,98,122)(H,99,121)(H,100,120)(H,101,117)(H,102,129)(H,103,130)(H,104,125)(H,105,123)(H,106,124)(H,112,113)(H,114,115)/p+2/t54-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,73+,89+,90+/m1/s1
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UniProtKB AC
UniProt accession number (AC):
P70365
Entrez Gene ID
NCBI Entrez Gene ID:
17977
ASD
Information of known allosteric effects of PDB entries
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