Browse entries in the PDBbind-CN Database
HEADER 5CP5_COMPLEX COMPND 5CP5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 127 PRO ARG GLY SER ASN PRO PRO PRO PRO GLU THR SER ASN SEQRES 2 A 127 PRO ASN LYS PRO LYS ARG GLN THR ASN GLN LEU GLN TYR SEQRES 3 A 127 LEU LEU ARG VAL VAL LEU LYS THR LEU TRP LYS HIS GLN SEQRES 4 A 127 PHE ALA TRP PRO PHE GLN GLN PRO VAL ASP ALA VAL LYS SEQRES 5 A 127 LEU ASN LEU PRO ASP TYR TYR LYS ILE ILE LYS THR PRO SEQRES 6 A 127 MET ASP MET GLY THR ILE LYS LYS ARG LEU GLU ASN ASN SEQRES 7 A 127 TYR TYR TRP ASN ALA GLN GLU CYS ILE GLN ASP PHE ASN SEQRES 8 A 127 THR MET PHE THR ASN CYS TYR ILE TYR ASN LYS PRO GLY SEQRES 9 A 127 ASP ASP ILE VAL LEU MET ALA GLU ALA LEU GLU LYS LEU SEQRES 10 A 127 PHE LEU GLN LYS ILE ASN GLU LEU PRO THR HET EB A 0 41 ATOM 1 N PRO A 40 -13.557 22.175 2.267 1.00 49.13 N ATOM 2 CA PRO A 40 -14.601 22.454 3.261 1.00 46.03 C ATOM 3 C PRO A 40 -14.247 21.966 4.682 1.00 44.87 C ATOM 4 O PRO A 40 -13.399 21.080 4.828 1.00 39.63 O ATOM 5 CB PRO A 40 -15.815 21.701 2.699 1.00 43.63 C ATOM 6 CG PRO A 40 -15.613 21.704 1.205 1.00 45.27 C ATOM 7 CD PRO A 40 -14.135 21.949 0.925 1.00 46.77 C ATOM 8 HN2 PRO A 40 -13.032 21.325 2.557 1.00 0.00 H ATOM 9 HN1 PRO A 40 -12.906 22.985 2.223 1.00 0.00 H ATOM 10 N ARG A 41 -14.848 22.590 5.698 1.00 43.98 N ATOM 11 CA ARG A 41 -14.891 22.066 7.079 1.00 47.05 C ATOM 12 C ARG A 41 -15.545 23.061 8.056 1.00 47.90 C ATOM 13 O ARG A 41 -15.384 24.267 7.878 1.00 49.63 O ATOM 14 CB ARG A 41 -13.505 21.666 7.640 1.00 45.15 C ATOM 15 CG ARG A 41 -12.359 22.635 7.368 1.00 45.01 C ATOM 16 CD ARG A 41 -11.139 22.437 8.270 1.00 44.05 C ATOM 17 NE ARG A 41 -11.096 21.159 8.993 1.00 44.06 N ATOM 18 CZ ARG A 41 -11.640 20.930 10.193 1.00 42.63 C ATOM 19 NH1 ARG A 41 -11.553 19.718 10.741 1.00 42.84 N ATOM 20 NH2 ARG A 41 -12.283 21.889 10.849 1.00 41.25 N ATOM 21 HE ARG A 41 -10.602 20.367 8.534 1.00 0.00 H ATOM 22 HH12 ARG A 41 -11.975 19.538 11.674 1.00 0.00 H ATOM 23 HH11 ARG A 41 -11.063 18.953 10.235 1.00 0.00 H ATOM 24 HH22 ARG A 41 -12.700 21.692 11.781 1.00 0.00 H ATOM 25 HH21 ARG A 41 -12.370 22.837 10.430 1.00 0.00 H ATOM 26 H ARG A 41 -15.314 23.500 5.506 1.00 0.00 H ATOM 27 N GLY A 42 -16.271 22.591 9.082 1.00 47.78 N ATOM 28 CA GLY A 42 -16.703 21.186 9.255 1.00 47.51 C ATOM 29 C GLY A 42 -15.743 20.295 10.006 1.00 45.25 C ATOM 30 O GLY A 42 -14.823 20.792 10.673 1.00 47.88 O ATOM 31 H GLY A 42 -16.554 23.271 9.817 1.00 0.00 H ATOM 32 N SER A 43 -15.951 18.975 9.935 1.00 42.07 N ATOM 33 CA SER A 43 -15.153 18.067 10.752 1.00 35.45 C ATOM 34 C SER A 43 -15.326 16.565 10.516 1.00 29.71 C ATOM 35 O SER A 43 -16.321 16.106 9.966 1.00 31.75 O ATOM 36 CB SER A 43 -15.428 18.319 12.251 1.00 37.35 C ATOM 37 OG SER A 43 -14.220 18.225 12.970 1.00 35.52 O ATOM 38 HG SER A 43 -14.396 18.386 13.931 1.00 0.00 H ATOM 39 H SER A 43 -16.681 18.597 9.298 1.00 0.00 H ATOM 40 N ASN A 44 -14.332 15.830 10.994 1.00 25.39 N ATOM 41 CA ASN A 44 -14.347 14.359 11.048 1.00 22.38 C ATOM 42 C ASN A 44 -14.849 13.890 12.407 1.00 20.84 C ATOM 43 O ASN A 44 -14.584 14.534 13.407 1.00 20.23 O ATOM 44 CB ASN A 44 -12.936 13.810 10.841 1.00 21.72 C ATOM 45 CG ASN A 44 -12.453 13.985 9.425 1.00 21.12 C ATOM 46 OD1 ASN A 44 -13.144 13.612 8.494 1.00 20.45 O ATOM 47 ND2 ASN A 44 -11.248 14.534 9.258 1.00 22.54 N ATOM 48 HD22 ASN A 44 -10.695 14.837 10.085 1.00 0.00 H ATOM 49 HD21 ASN A 44 -10.862 14.659 8.301 1.00 0.00 H ATOM 50 H ASN A 44 -13.490 16.323 11.353 1.00 0.00 H ATOM 51 N PRO A 45 -15.534 12.735 12.459 1.00 18.48 N ATOM 52 CA PRO A 45 -15.982 12.180 13.744 1.00 17.39 C ATOM 53 C PRO A 45 -14.813 11.614 14.523 1.00 17.93 C ATOM 54 O PRO A 45 -13.737 11.391 13.928 1.00 17.97 O ATOM 55 CB PRO A 45 -16.898 11.019 13.321 1.00 16.69 C ATOM 56 CG PRO A 45 -16.306 10.565 12.031 1.00 17.00 C ATOM 57 CD PRO A 45 -15.790 11.803 11.346 1.00 18.02 C ATOM 58 N PRO A 46 -15.016 11.333 15.834 1.00 18.64 N ATOM 59 CA PRO A 46 -14.007 10.553 16.527 1.00 18.50 C ATOM 60 C PRO A 46 -13.893 9.182 15.842 1.00 17.90 C ATOM 61 O PRO A 46 -14.916 8.653 15.353 1.00 17.74 O ATOM 62 CB PRO A 46 -14.560 10.414 17.970 1.00 19.17 C ATOM 63 CG PRO A 46 -16.007 10.770 17.887 1.00 19.74 C ATOM 64 CD PRO A 46 -16.180 11.651 16.696 1.00 19.35 C ATOM 65 N PRO A 47 -12.672 8.624 15.774 1.00 17.99 N ATOM 66 CA PRO A 47 -12.539 7.347 15.115 1.00 17.60 C ATOM 67 C PRO A 47 -13.150 6.232 15.954 1.00 17.35 C ATOM 68 O PRO A 47 -13.390 6.395 17.159 1.00 17.62 O ATOM 69 CB PRO A 47 -11.019 7.184 14.998 1.00 18.10 C ATOM 70 CG PRO A 47 -10.506 7.842 16.242 1.00 18.48 C ATOM 71 CD PRO A 47 -11.418 9.031 16.434 1.00 18.85 C ATOM 72 N PRO A 48 -13.387 5.072 15.338 1.00 17.52 N ATOM 73 CA PRO A 48 -13.869 3.947 16.118 1.00 16.81 C ATOM 74 C PRO A 48 -12.908 3.565 17.245 1.00 17.29 C ATOM 75 O PRO A 48 -11.703 3.704 17.099 1.00 15.63 O ATOM 76 CB PRO A 48 -13.959 2.815 15.095 1.00 16.95 C ATOM 77 CG PRO A 48 -13.846 3.445 13.756 1.00 16.50 C ATOM 78 CD PRO A 48 -13.153 4.732 13.924 1.00 16.40 C ATOM 79 N GLU A 49 -13.442 3.113 18.378 1.00 17.10 N ATOM 80 CA GLU A 49 -12.582 2.700 19.504 1.00 18.02 C ATOM 81 C GLU A 49 -11.652 1.526 19.131 1.00 17.67 C ATOM 82 O GLU A 49 -11.995 0.674 18.328 1.00 16.31 O ATOM 83 CB GLU A 49 -13.404 2.331 20.751 1.00 20.12 C ATOM 84 CG GLU A 49 -14.163 1.008 20.676 1.00 21.84 C ATOM 85 CD GLU A 49 -15.004 0.714 21.910 1.00 23.33 C ATOM 86 OE1 GLU A 49 -15.476 -0.436 22.055 1.00 24.02 O ATOM 87 OE2 GLU A 49 -15.210 1.621 22.730 1.00 26.01 O ATOM 88 H GLU A 49 -14.476 3.050 18.470 1.00 0.00 H ATOM 89 N THR A 50 -10.465 1.524 19.698 1.00 17.33 N ATOM 90 CA THR A 50 -9.542 0.392 19.575 1.00 18.13 C ATOM 91 C THR A 50 -9.214 -0.245 20.922 1.00 17.95 C ATOM 92 O THR A 50 -8.503 -1.255 20.958 1.00 18.08 O ATOM 93 CB THR A 50 -8.269 0.817 18.828 1.00 19.41 C ATOM 94 OG1 THR A 50 -7.583 1.840 19.565 1.00 20.03 O ATOM 95 CG2 THR A 50 -8.643 1.346 17.424 1.00 18.90 C ATOM 96 HG1 THR A 50 -8.177 2.625 19.669 1.00 0.00 H ATOM 97 H THR A 50 -10.172 2.354 20.252 1.00 0.00 H ATOM 98 N SER A 51 -9.741 0.356 21.997 1.00 18.98 N ATOM 99 CA SER A 51 -9.642 -0.138 23.359 1.00 21.02 C ATOM 100 C SER A 51 -10.969 0.022 24.080 1.00 18.77 C ATOM 101 O SER A 51 -11.705 0.961 23.845 1.00 19.67 O ATOM 102 CB SER A 51 -8.546 0.629 24.117 1.00 22.54 C ATOM 103 OG SER A 51 -7.378 -0.162 24.097 1.00 29.16 O ATOM 104 HG SER A 51 -6.653 0.309 24.580 1.00 0.00 H ATOM 105 H SER A 51 -10.261 1.244 21.845 1.00 0.00 H ATOM 106 N ASN A 52 -11.290 -0.945 24.932 1.00 18.37 N ATOM 107 CA ASN A 52 -12.466 -0.860 25.769 1.00 17.39 C ATOM 108 C ASN A 52 -12.243 -1.830 26.921 1.00 16.99 C ATOM 109 O ASN A 52 -12.519 -2.999 26.783 1.00 16.10 O ATOM 110 CB ASN A 52 -13.722 -1.223 24.980 1.00 18.68 C ATOM 111 CG ASN A 52 -14.989 -1.026 25.784 1.00 19.65 C ATOM 112 OD1 ASN A 52 -14.978 -1.069 27.020 1.00 19.76 O ATOM 113 ND2 ASN A 52 -16.107 -0.795 25.079 1.00 21.41 N ATOM 114 HD22 ASN A 52 -16.070 -0.767 24.040 1.00 0.00 H ATOM 115 HD21 ASN A 52 -17.010 -0.644 25.572 1.00 0.00 H ATOM 116 H ASN A 52 -10.680 -1.785 24.999 1.00 0.00 H ATOM 117 N PRO A 53 -11.713 -1.349 28.056 1.00 16.89 N ATOM 118 CA PRO A 53 -11.295 -2.304 29.085 1.00 17.38 C ATOM 119 C PRO A 53 -12.405 -3.173 29.674 1.00 16.74 C ATOM 120 O PRO A 53 -12.115 -4.279 30.143 1.00 16.44 O ATOM 121 CB PRO A 53 -10.669 -1.409 30.151 1.00 17.22 C ATOM 122 CG PRO A 53 -10.172 -0.242 29.378 1.00 17.59 C ATOM 123 CD PRO A 53 -11.254 0.016 28.380 1.00 17.33 C ATOM 124 N ASN A 54 -13.647 -2.686 29.663 1.00 16.53 N ATOM 125 CA ASN A 54 -14.758 -3.514 30.108 1.00 17.00 C ATOM 126 C ASN A 54 -15.336 -4.457 29.050 1.00 17.28 C ATOM 127 O ASN A 54 -16.187 -5.282 29.382 1.00 18.63 O ATOM 128 CB ASN A 54 -15.859 -2.675 30.735 1.00 17.45 C ATOM 129 CG ASN A 54 -15.551 -2.309 32.153 1.00 17.78 C ATOM 130 OD1 ASN A 54 -15.108 -3.171 32.931 1.00 18.70 O ATOM 131 ND2 ASN A 54 -15.795 -1.066 32.518 1.00 17.28 N ATOM 132 HD22 ASN A 54 -16.166 -0.384 31.826 1.00 0.00 H ATOM 133 HD21 ASN A 54 -15.617 -0.767 33.498 1.00 0.00 H ATOM 134 H ASN A 54 -13.821 -1.714 29.336 1.00 0.00 H ATOM 135 N LYS A 55 -14.878 -4.365 27.806 1.00 16.77 N ATOM 136 CA LYS A 55 -15.339 -5.299 26.780 1.00 17.90 C ATOM 137 C LYS A 55 -14.667 -6.654 27.008 1.00 17.67 C ATOM 138 O LYS A 55 -13.460 -6.705 27.238 1.00 19.85 O ATOM 139 CB LYS A 55 -15.036 -4.769 25.371 1.00 18.07 C ATOM 140 CG LYS A 55 -15.659 -5.600 24.262 1.00 18.23 C ATOM 141 CD LYS A 55 -15.145 -5.158 22.893 1.00 17.82 C ATOM 142 CE LYS A 55 -15.541 -6.123 21.778 1.00 17.61 C ATOM 143 NZ LYS A 55 -14.994 -7.489 21.967 1.00 17.09 N ATOM 144 HZ1 LYS A 55 -13.955 -7.445 21.991 1.00 0.00 H ATOM 145 HZ2 LYS A 55 -15.347 -7.881 22.863 1.00 0.00 H ATOM 146 HZ3 LYS A 55 -15.298 -8.095 21.178 1.00 0.00 H ATOM 147 H LYS A 55 -14.189 -3.626 27.561 1.00 0.00 H ATOM 148 N PRO A 56 -15.448 -7.757 26.975 1.00 18.75 N ATOM 149 CA PRO A 56 -14.852 -9.080 27.074 1.00 19.12 C ATOM 150 C PRO A 56 -13.953 -9.392 25.885 1.00 18.88 C ATOM 151 O PRO A 56 -14.298 -9.046 24.760 1.00 19.54 O ATOM 152 CB PRO A 56 -16.059 -10.026 27.041 1.00 19.26 C ATOM 153 CG PRO A 56 -17.216 -9.201 27.457 1.00 19.61 C ATOM 154 CD PRO A 56 -16.920 -7.821 26.954 1.00 19.80 C ATOM 155 N LYS A 57 -12.834 -10.048 26.142 1.00 19.44 N ATOM 156 CA LYS A 57 -11.932 -10.466 25.063 1.00 21.00 C ATOM 157 C LYS A 57 -11.200 -11.774 25.347 1.00 21.73 C ATOM 158 O LYS A 57 -11.058 -12.195 26.501 1.00 22.06 O ATOM 159 CB LYS A 57 -10.915 -9.362 24.777 1.00 22.10 C ATOM 160 CG LYS A 57 -10.283 -8.749 26.023 1.00 23.17 C ATOM 161 CD LYS A 57 -9.722 -7.364 25.797 1.00 25.43 C ATOM 162 CE LYS A 57 -10.728 -6.288 25.355 1.00 25.00 C ATOM 163 NZ LYS A 57 -11.104 -5.415 26.501 1.00 25.68 N ATOM 164 HZ1 LYS A 57 -11.537 -5.994 27.249 1.00 0.00 H ATOM 165 HZ2 LYS A 57 -10.253 -4.947 26.873 1.00 0.00 H ATOM 166 HZ3 LYS A 57 -11.784 -4.696 26.179 1.00 0.00 H ATOM 167 H LYS A 57 -12.589 -10.272 27.128 1.00 0.00 H ATOM 168 N ARG A 58 -10.711 -12.373 24.267 1.00 21.52 N ATOM 169 CA ARG A 58 -9.984 -13.635 24.287 1.00 23.40 C ATOM 170 C ARG A 58 -8.886 -13.598 23.244 1.00 24.43 C ATOM 171 O ARG A 58 -8.986 -12.902 22.235 1.00 24.73 O ATOM 172 CB ARG A 58 -10.861 -14.821 23.894 1.00 24.83 C ATOM 173 CG ARG A 58 -12.059 -15.070 24.739 1.00 25.91 C ATOM 174 CD ARG A 58 -12.618 -16.459 24.525 1.00 27.09 C ATOM 175 NE ARG A 58 -13.306 -16.642 23.241 1.00 29.60 N ATOM 176 CZ ARG A 58 -14.283 -17.534 23.020 1.00 31.37 C ATOM 177 NH1 ARG A 58 -14.732 -18.351 23.995 1.00 30.23 N ATOM 178 NH2 ARG A 58 -14.848 -17.601 21.813 1.00 31.85 N ATOM 179 HE ARG A 58 -13.015 -16.037 22.447 1.00 0.00 H ATOM 180 HH12 ARG A 58 -15.491 -19.033 23.794 1.00 0.00 H ATOM 181 HH11 ARG A 58 -14.319 -18.299 24.948 1.00 0.00 H ATOM 182 HH22 ARG A 58 -15.606 -18.289 21.631 1.00 0.00 H ATOM 183 HH21 ARG A 58 -14.530 -16.965 21.054 1.00 0.00 H ATOM 184 H ARG A 58 -10.857 -11.911 23.347 1.00 0.00 H ATOM 185 N GLN A 59 -7.840 -14.371 23.494 1.00 27.05 N ATOM 186 CA GLN A 59 -6.871 -14.678 22.464 1.00 30.61 C ATOM 187 C GLN A 59 -7.268 -16.048 21.964 1.00 29.63 C ATOM 188 O GLN A 59 -7.412 -16.982 22.757 1.00 31.86 O ATOM 189 CB GLN A 59 -5.437 -14.626 23.007 1.00 32.47 C ATOM 190 CG GLN A 59 -5.003 -13.193 23.310 1.00 37.13 C ATOM 191 CD GLN A 59 -3.494 -13.011 23.464 1.00 41.90 C ATOM 192 OE1 GLN A 59 -2.696 -13.467 22.628 1.00 45.41 O ATOM 193 NE2 GLN A 59 -3.099 -12.310 24.522 1.00 42.90 N ATOM 194 HE22 GLN A 59 -3.802 -11.947 25.197 1.00 0.00 H ATOM 195 HE21 GLN A 59 -2.087 -12.125 24.675 1.00 0.00 H ATOM 196 H GLN A 59 -7.713 -14.765 24.448 1.00 0.00 H ATOM 197 N THR A 60 -7.555 -16.146 20.670 1.00 26.76 N ATOM 198 CA THR A 60 -7.745 -17.434 20.030 1.00 24.75 C ATOM 199 C THR A 60 -6.687 -17.529 18.948 1.00 24.90 C ATOM 200 O THR A 60 -6.125 -16.517 18.513 1.00 25.61 O ATOM 201 CB THR A 60 -9.151 -17.622 19.430 1.00 24.17 C ATOM 202 OG1 THR A 60 -9.298 -16.847 18.225 1.00 22.64 O ATOM 203 CG2 THR A 60 -10.245 -17.234 20.429 1.00 24.86 C ATOM 204 HG1 THR A 60 -10.207 -16.982 17.856 1.00 0.00 H ATOM 205 H THR A 60 -7.646 -15.279 20.103 1.00 0.00 H ATOM 206 N ASN A 61 -6.385 -18.750 18.545 1.00 24.52 N ATOM 207 CA ASN A 61 -5.422 -18.964 17.449 1.00 24.67 C ATOM 208 C ASN A 61 -5.949 -18.422 16.101 1.00 23.94 C ATOM 209 O ASN A 61 -5.156 -18.031 15.243 1.00 22.89 O ATOM 210 CB ASN A 61 -5.076 -20.447 17.337 1.00 27.61 C ATOM 211 CG ASN A 61 -6.241 -21.264 16.850 1.00 28.21 C ATOM 212 OD1 ASN A 61 -7.357 -21.124 17.349 1.00 33.38 O ATOM 213 ND2 ASN A 61 -6.009 -22.085 15.841 1.00 31.77 N ATOM 214 HD22 ASN A 61 -5.049 -22.171 15.451 1.00 0.00 H ATOM 215 HD21 ASN A 61 -6.787 -22.645 15.437 1.00 0.00 H ATOM 216 H ASN A 61 -6.831 -19.569 19.005 1.00 0.00 H ATOM 217 N GLN A 62 -7.276 -18.384 15.945 1.00 23.03 N ATOM 218 CA GLN A 62 -7.936 -17.773 14.786 1.00 22.24 C ATOM 219 C GLN A 62 -7.756 -16.261 14.734 1.00 20.74 C ATOM 220 O GLN A 62 -7.534 -15.708 13.652 1.00 19.21 O ATOM 221 CB GLN A 62 -9.425 -18.082 14.760 1.00 23.48 C ATOM 222 CG GLN A 62 -9.773 -19.507 14.352 1.00 24.82 C ATOM 223 CD GLN A 62 -11.275 -19.745 14.310 1.00 24.43 C ATOM 224 OE1 GLN A 62 -12.056 -19.013 14.926 1.00 23.20 O ATOM 225 NE2 GLN A 62 -11.689 -20.766 13.577 1.00 24.28 N ATOM 226 HE22 GLN A 62 -10.998 -21.359 13.073 1.00 0.00 H ATOM 227 HE21 GLN A 62 -12.705 -20.976 13.504 1.00 0.00 H ATOM 228 H GLN A 62 -7.872 -18.810 16.684 1.00 0.00 H ATOM 229 N LEU A 63 -7.871 -15.602 15.892 1.00 18.30 N ATOM 230 CA LEU A 63 -7.557 -14.176 15.994 1.00 18.53 C ATOM 231 C LEU A 63 -6.056 -13.921 15.745 1.00 19.55 C ATOM 232 O LEU A 63 -5.691 -12.957 15.097 1.00 19.95 O ATOM 233 CB LEU A 63 -8.027 -13.598 17.347 1.00 17.70 C ATOM 234 CG LEU A 63 -9.541 -13.330 17.442 1.00 17.74 C ATOM 235 CD1 LEU A 63 -10.009 -13.173 18.891 1.00 17.84 C ATOM 236 CD2 LEU A 63 -9.936 -12.095 16.637 1.00 17.71 C ATOM 237 H LEU A 63 -8.191 -16.114 16.739 1.00 0.00 H ATOM 238 N GLN A 64 -5.186 -14.818 16.211 1.00 19.88 N ATOM 239 CA GLN A 64 -3.760 -14.687 15.907 1.00 21.77 C ATOM 240 C GLN A 64 -3.478 -14.779 14.403 1.00 21.04 C ATOM 241 O GLN A 64 -2.672 -14.014 13.884 1.00 21.27 O ATOM 242 CB GLN A 64 -2.954 -15.754 16.640 1.00 25.29 C ATOM 243 CG GLN A 64 -2.802 -15.458 18.119 1.00 29.67 C ATOM 244 CD GLN A 64 -2.287 -16.645 18.915 1.00 33.87 C ATOM 245 OE1 GLN A 64 -2.042 -17.721 18.364 1.00 37.94 O ATOM 246 NE2 GLN A 64 -2.127 -16.454 20.222 1.00 36.64 N ATOM 247 HE22 GLN A 64 -2.347 -15.529 20.643 1.00 0.00 H ATOM 248 HE21 GLN A 64 -1.782 -17.230 20.823 1.00 0.00 H ATOM 249 H GLN A 64 -5.522 -15.613 16.792 1.00 0.00 H ATOM 250 N TYR A 65 -4.141 -15.713 13.734 1.00 18.87 N ATOM 251 CA TYR A 65 -4.040 -15.872 12.276 1.00 19.49 C ATOM 252 C TYR A 65 -4.602 -14.652 11.539 1.00 17.95 C ATOM 253 O TYR A 65 -4.096 -14.269 10.478 1.00 18.20 O ATOM 254 CB TYR A 65 -4.759 -17.143 11.847 1.00 20.12 C ATOM 255 CG TYR A 65 -4.821 -17.412 10.367 1.00 22.48 C ATOM 256 CD1 TYR A 65 -5.889 -16.924 9.605 1.00 23.14 C ATOM 257 CD2 TYR A 65 -3.844 -18.183 9.726 1.00 23.55 C ATOM 258 CE1 TYR A 65 -5.977 -17.175 8.250 1.00 25.55 C ATOM 259 CE2 TYR A 65 -3.926 -18.450 8.358 1.00 24.20 C ATOM 260 CZ TYR A 65 -4.993 -17.930 7.625 1.00 25.38 C ATOM 261 OH TYR A 65 -5.136 -18.157 6.271 1.00 27.03 O ATOM 262 HH TYR A 65 -5.953 -17.703 5.946 1.00 0.00 H ATOM 263 H TYR A 65 -4.759 -16.361 14.264 1.00 0.00 H ATOM 264 N LEU A 66 -5.644 -14.039 12.089 1.00 17.45 N ATOM 265 CA LEU A 66 -6.197 -12.821 11.479 1.00 17.30 C ATOM 266 C LEU A 66 -5.208 -11.681 11.475 1.00 17.42 C ATOM 267 O LEU A 66 -5.167 -10.905 10.508 1.00 17.34 O ATOM 268 CB LEU A 66 -7.498 -12.393 12.163 1.00 17.61 C ATOM 269 CG LEU A 66 -8.692 -13.173 11.627 1.00 17.08 C ATOM 270 CD1 LEU A 66 -9.844 -13.214 12.617 1.00 17.62 C ATOM 271 CD2 LEU A 66 -9.162 -12.561 10.315 1.00 17.77 C ATOM 272 H LEU A 66 -6.071 -14.423 12.956 1.00 0.00 H ATOM 273 N LEU A 67 -4.413 -11.573 12.535 1.00 17.34 N ATOM 274 CA LEU A 67 -3.398 -10.546 12.607 1.00 18.28 C ATOM 275 C LEU A 67 -2.236 -10.961 11.744 1.00 19.65 C ATOM 276 O LEU A 67 -1.902 -10.266 10.804 1.00 21.29 O ATOM 277 CB LEU A 67 -2.926 -10.318 14.032 1.00 17.78 C ATOM 278 CG LEU A 67 -1.849 -9.243 14.259 1.00 18.03 C ATOM 279 CD1 LEU A 67 -2.080 -7.929 13.522 1.00 18.43 C ATOM 280 CD2 LEU A 67 -1.705 -8.969 15.750 1.00 19.04 C ATOM 281 H LEU A 67 -4.523 -12.239 13.326 1.00 0.00 H ATOM 282 N ARG A 68 -1.664 -12.116 12.044 1.00 22.13 N ATOM 283 CA ARG A 68 -0.378 -12.517 11.462 1.00 25.02 C ATOM 284 C ARG A 68 -0.408 -12.822 9.974 1.00 24.22 C ATOM 285 O ARG A 68 0.577 -12.543 9.286 1.00 26.34 O ATOM 286 CB ARG A 68 0.204 -13.725 12.206 1.00 29.32 C ATOM 287 CG ARG A 68 0.641 -13.392 13.629 1.00 35.28 C ATOM 288 CD ARG A 68 1.505 -14.492 14.240 1.00 40.69 C ATOM 289 NE ARG A 68 0.817 -15.259 15.281 1.00 45.11 N ATOM 290 CZ ARG A 68 1.212 -16.449 15.737 1.00 48.08 C ATOM 291 NH1 ARG A 68 2.300 -17.054 15.257 1.00 49.85 N ATOM 292 NH2 ARG A 68 0.503 -17.051 16.688 1.00 50.16 N ATOM 293 HE ARG A 68 -0.043 -14.846 15.695 1.00 0.00 H ATOM 294 HH12 ARG A 68 2.586 -17.982 15.630 1.00 0.00 H ATOM 295 HH11 ARG A 68 2.862 -16.598 14.510 1.00 0.00 H ATOM 296 HH22 ARG A 68 0.802 -17.979 17.051 1.00 0.00 H ATOM 297 HH21 ARG A 68 -0.350 -16.594 17.069 1.00 0.00 H ATOM 298 H ARG A 68 -2.139 -12.757 12.711 1.00 0.00 H ATOM 299 N VAL A 69 -1.504 -13.410 9.497 1.00 22.78 N ATOM 300 CA VAL A 69 -1.672 -13.744 8.078 1.00 22.71 C ATOM 301 C VAL A 69 -2.626 -12.797 7.349 1.00 22.95 C ATOM 302 O VAL A 69 -2.221 -12.161 6.380 1.00 23.66 O ATOM 303 CB VAL A 69 -2.148 -15.196 7.884 1.00 22.70 C ATOM 304 CG1 VAL A 69 -2.381 -15.500 6.399 1.00 23.96 C ATOM 305 CG2 VAL A 69 -1.131 -16.144 8.481 1.00 21.95 C ATOM 306 H VAL A 69 -2.273 -13.642 10.158 1.00 0.00 H ATOM 307 N VAL A 70 -3.875 -12.692 7.802 1.00 22.02 N ATOM 308 CA VAL A 70 -4.896 -12.007 7.000 1.00 22.23 C ATOM 309 C VAL A 70 -4.611 -10.494 6.906 1.00 23.44 C ATOM 310 O VAL A 70 -4.439 -9.942 5.808 1.00 22.45 O ATOM 311 CB VAL A 70 -6.339 -12.252 7.536 1.00 22.06 C ATOM 312 CG1 VAL A 70 -7.362 -11.571 6.639 1.00 22.24 C ATOM 313 CG2 VAL A 70 -6.609 -13.749 7.630 1.00 21.81 C ATOM 314 H VAL A 70 -4.127 -13.097 8.726 1.00 0.00 H ATOM 315 N LEU A 71 -4.559 -9.840 8.059 1.00 22.94 N ATOM 316 CA LEU A 71 -4.317 -8.409 8.120 1.00 23.20 C ATOM 317 C LEU A 71 -2.982 -8.062 7.462 1.00 25.48 C ATOM 318 O LEU A 71 -2.931 -7.140 6.638 1.00 23.78 O ATOM 319 CB LEU A 71 -4.348 -7.916 9.571 1.00 23.23 C ATOM 320 CG LEU A 71 -4.254 -6.412 9.891 1.00 22.96 C ATOM 321 CD1 LEU A 71 -2.820 -5.894 9.779 1.00 23.39 C ATOM 322 CD2 LEU A 71 -5.206 -5.589 9.036 1.00 23.02 C ATOM 323 H LEU A 71 -4.695 -10.367 8.945 1.00 0.00 H ATOM 324 N LYS A 72 -1.920 -8.798 7.811 1.00 27.47 N ATOM 325 CA LYS A 72 -0.566 -8.495 7.302 1.00 30.02 C ATOM 326 C LYS A 72 -0.478 -8.545 5.784 1.00 28.31 C ATOM 327 O LYS A 72 0.170 -7.693 5.188 1.00 26.58 O ATOM 328 CB LYS A 72 0.496 -9.457 7.847 1.00 34.21 C ATOM 329 CG LYS A 72 0.701 -9.480 9.349 1.00 38.78 C ATOM 330 CD LYS A 72 0.821 -8.113 10.005 1.00 41.96 C ATOM 331 CE LYS A 72 1.128 -8.255 11.492 1.00 46.37 C ATOM 332 NZ LYS A 72 1.833 -7.055 12.025 1.00 48.49 N ATOM 333 HZ1 LYS A 72 2.730 -6.927 11.515 1.00 0.00 H ATOM 334 HZ2 LYS A 72 1.234 -6.215 11.892 1.00 0.00 H ATOM 335 HZ3 LYS A 72 2.025 -7.189 13.038 1.00 0.00 H ATOM 336 H LYS A 72 -2.051 -9.603 8.456 1.00 0.00 H ATOM 337 N THR A 73 -1.132 -9.529 5.163 1.00 26.44 N ATOM 338 CA THR A 73 -1.079 -9.675 3.710 1.00 25.91 C ATOM 339 C THR A 73 -1.877 -8.580 3.019 1.00 24.50 C ATOM 340 O THR A 73 -1.399 -8.014 2.028 1.00 23.69 O ATOM 341 CB THR A 73 -1.639 -11.014 3.206 1.00 26.99 C ATOM 342 OG1 THR A 73 -3.056 -11.073 3.453 1.00 32.41 O ATOM 343 CG2 THR A 73 -0.914 -12.182 3.837 1.00 25.26 C ATOM 344 HG1 THR A 73 -3.224 -10.992 4.425 1.00 0.00 H ATOM 345 H THR A 73 -1.690 -10.204 5.724 1.00 0.00 H ATOM 346 N LEU A 74 -3.099 -8.319 3.506 1.00 21.50 N ATOM 347 CA LEU A 74 -3.892 -7.194 2.983 1.00 21.71 C ATOM 348 C LEU A 74 -3.177 -5.873 3.200 1.00 19.83 C ATOM 349 O LEU A 74 -3.232 -4.989 2.325 1.00 19.52 O ATOM 350 CB LEU A 74 -5.270 -7.098 3.645 1.00 22.30 C ATOM 351 CG LEU A 74 -6.324 -8.184 3.443 1.00 23.99 C ATOM 352 CD1 LEU A 74 -7.683 -7.676 3.925 1.00 24.40 C ATOM 353 CD2 LEU A 74 -6.414 -8.597 2.000 1.00 24.10 C ATOM 354 H LEU A 74 -3.491 -8.918 4.261 1.00 0.00 H ATOM 355 N TRP A 75 -2.520 -5.723 4.351 1.00 18.64 N ATOM 356 CA TRP A 75 -1.856 -4.471 4.702 1.00 18.66 C ATOM 357 C TRP A 75 -0.751 -4.083 3.707 1.00 20.05 C ATOM 358 O TRP A 75 -0.619 -2.909 3.372 1.00 18.86 O ATOM 359 CB TRP A 75 -1.291 -4.530 6.113 1.00 19.14 C ATOM 360 CG TRP A 75 -0.832 -3.219 6.646 1.00 19.01 C ATOM 361 CD1 TRP A 75 0.439 -2.718 6.613 1.00 18.78 C ATOM 362 CD2 TRP A 75 -1.633 -2.235 7.309 1.00 18.14 C ATOM 363 NE1 TRP A 75 0.475 -1.493 7.197 1.00 19.32 N ATOM 364 CE2 TRP A 75 -0.779 -1.161 7.634 1.00 18.37 C ATOM 365 CE3 TRP A 75 -2.990 -2.147 7.635 1.00 17.65 C ATOM 366 CZ2 TRP A 75 -1.228 -0.017 8.281 1.00 18.50 C ATOM 367 CZ3 TRP A 75 -3.441 -1.009 8.283 1.00 17.16 C ATOM 368 CH2 TRP A 75 -2.560 0.042 8.603 1.00 18.02 C ATOM 369 HE1 TRP A 75 1.323 -0.899 7.297 1.00 0.00 H ATOM 370 H TRP A 75 -2.480 -6.520 5.017 1.00 0.00 H ATOM 371 N LYS A 76 0.008 -5.073 3.232 1.00 20.90 N ATOM 372 CA LYS A 76 1.142 -4.844 2.324 1.00 22.54 C ATOM 373 C LYS A 76 0.711 -4.572 0.887 1.00 22.22 C ATOM 374 O LYS A 76 1.547 -4.156 0.073 1.00 24.22 O ATOM 375 CB LYS A 76 2.029 -6.095 2.202 1.00 24.69 C ATOM 376 CG LYS A 76 2.617 -6.737 3.439 1.00 29.00 C ATOM 377 CD LYS A 76 2.893 -8.226 3.127 1.00 30.39 C ATOM 378 CE LYS A 76 3.213 -9.085 4.341 1.00 32.66 C ATOM 379 NZ LYS A 76 4.640 -9.015 4.736 1.00 33.74 N ATOM 380 HZ1 LYS A 76 5.233 -9.345 3.948 1.00 0.00 H ATOM 381 HZ2 LYS A 76 4.886 -8.032 4.969 1.00 0.00 H ATOM 382 HZ3 LYS A 76 4.798 -9.619 5.567 1.00 0.00 H ATOM 383 H LYS A 76 -0.212 -6.049 3.516 1.00 0.00 H ATOM 384 N HIS A 77 -0.538 -4.909 0.550 1.00 19.87 N ATOM 385 CA HIS A 77 -1.049 -4.839 -0.813 1.00 18.59 C ATOM 386 C HIS A 77 -1.026 -3.402 -1.324 1.00 17.79 C ATOM 387 O HIS A 77 -1.197 -2.472 -0.527 1.00 17.86 O ATOM 388 CB HIS A 77 -2.481 -5.379 -0.862 1.00 18.12 C ATOM 389 CG HIS A 77 -2.942 -5.769 -2.225 1.00 17.61 C ATOM 390 ND1 HIS A 77 -3.364 -4.861 -3.173 1.00 17.29 N ATOM 391 CD2 HIS A 77 -3.054 -6.985 -2.803 1.00 17.69 C ATOM 392 CE1 HIS A 77 -3.732 -5.499 -4.267 1.00 17.17 C ATOM 393 NE2 HIS A 77 -3.564 -6.793 -4.063 1.00 17.74 N ATOM 394 H HIS A 77 -1.179 -5.238 1.300 1.00 0.00 H ATOM 395 N GLN A 78 -0.812 -3.234 -2.636 1.00 18.10 N ATOM 396 CA GLN A 78 -0.754 -1.897 -3.296 1.00 19.37 C ATOM 397 C GLN A 78 -2.072 -1.102 -3.258 1.00 17.87 C ATOM 398 O GLN A 78 -2.077 0.093 -3.523 1.00 18.18 O ATOM 399 CB GLN A 78 -0.278 -2.011 -4.769 1.00 19.78 C ATOM 400 CG GLN A 78 -1.285 -2.656 -5.727 1.00 21.63 C ATOM 401 CD GLN A 78 -1.051 -2.311 -7.196 1.00 23.14 C ATOM 402 OE1 GLN A 78 -1.041 -1.131 -7.601 1.00 25.94 O ATOM 403 NE2 GLN A 78 -0.912 -3.328 -8.000 1.00 22.57 N ATOM 404 HE22 GLN A 78 -0.926 -4.296 -7.621 1.00 0.00 H ATOM 405 HE21 GLN A 78 -0.787 -3.171 -9.020 1.00 0.00 H ATOM 406 H GLN A 78 -0.679 -4.080 -3.226 1.00 0.00 H ATOM 407 N PHE A 79 -3.164 -1.773 -2.929 1.00 16.95 N ATOM 408 CA PHE A 79 -4.507 -1.205 -2.837 1.00 15.91 C ATOM 409 C PHE A 79 -4.919 -1.032 -1.368 1.00 15.97 C ATOM 410 O PHE A 79 -6.029 -0.593 -1.109 1.00 15.39 O ATOM 411 CB PHE A 79 -5.533 -2.099 -3.530 1.00 15.47 C ATOM 412 CG PHE A 79 -5.415 -2.172 -5.042 1.00 14.94 C ATOM 413 CD1 PHE A 79 -4.689 -1.253 -5.787 1.00 15.08 C ATOM 414 CD2 PHE A 79 -6.096 -3.181 -5.726 1.00 15.41 C ATOM 415 CE1 PHE A 79 -4.616 -1.351 -7.164 1.00 15.78 C ATOM 416 CE2 PHE A 79 -6.031 -3.294 -7.109 1.00 15.73 C ATOM 417 CZ PHE A 79 -5.315 -2.372 -7.832 1.00 16.04 C ATOM 418 H PHE A 79 -3.058 -2.786 -2.719 1.00 0.00 H ATOM 419 N ALA A 80 -4.023 -1.326 -0.410 1.00 15.43 N ATOM 420 CA ALA A 80 -4.375 -1.199 1.016 1.00 15.12 C ATOM 421 C ALA A 80 -4.477 0.251 1.460 1.00 14.99 C ATOM 422 O ALA A 80 -5.229 0.556 2.371 1.00 14.21 O ATOM 423 CB ALA A 80 -3.344 -1.891 1.883 1.00 15.52 C ATOM 424 H ALA A 80 -3.071 -1.647 -0.678 1.00 0.00 H ATOM 425 N TRP A 81 -3.676 1.140 0.869 1.00 13.70 N ATOM 426 CA TRP A 81 -3.467 2.481 1.432 1.00 13.87 C ATOM 427 C TRP A 81 -4.731 3.338 1.716 1.00 13.11 C ATOM 428 O TRP A 81 -4.765 4.028 2.739 1.00 13.95 O ATOM 429 CB TRP A 81 -2.389 3.257 0.636 1.00 13.48 C ATOM 430 CG TRP A 81 -2.748 3.562 -0.779 1.00 13.61 C ATOM 431 CD1 TRP A 81 -2.420 2.845 -1.892 1.00 13.93 C ATOM 432 CD2 TRP A 81 -3.523 4.671 -1.223 1.00 14.57 C ATOM 433 NE1 TRP A 81 -2.942 3.454 -3.013 1.00 14.75 N ATOM 434 CE2 TRP A 81 -3.654 4.560 -2.621 1.00 14.45 C ATOM 435 CE3 TRP A 81 -4.170 5.729 -0.560 1.00 14.98 C ATOM 436 CZ2 TRP A 81 -4.363 5.500 -3.377 1.00 14.84 C ATOM 437 CZ3 TRP A 81 -4.892 6.646 -1.309 1.00 14.50 C ATOM 438 CH2 TRP A 81 -4.979 6.533 -2.689 1.00 14.14 C ATOM 439 HE1 TRP A 81 -2.817 3.129 -3.993 1.00 0.00 H ATOM 440 H TRP A 81 -3.188 0.877 -0.011 1.00 0.00 H ATOM 441 N PRO A 82 -5.772 3.268 0.852 1.00 12.28 N ATOM 442 CA PRO A 82 -6.983 4.040 1.176 1.00 12.18 C ATOM 443 C PRO A 82 -7.760 3.527 2.375 1.00 11.93 C ATOM 444 O PRO A 82 -8.582 4.265 2.912 1.00 11.86 O ATOM 445 CB PRO A 82 -7.858 3.871 -0.073 1.00 12.17 C ATOM 446 CG PRO A 82 -6.942 3.388 -1.122 1.00 12.35 C ATOM 447 CD PRO A 82 -5.959 2.525 -0.400 1.00 12.34 C ATOM 448 N PHE A 83 -7.502 2.273 2.764 1.00 11.47 N ATOM 449 CA PHE A 83 -8.184 1.562 3.852 1.00 12.39 C ATOM 450 C PHE A 83 -7.333 1.455 5.132 1.00 12.63 C ATOM 451 O PHE A 83 -7.750 0.849 6.124 1.00 12.69 O ATOM 452 CB PHE A 83 -8.491 0.154 3.334 1.00 12.47 C ATOM 453 CG PHE A 83 -9.282 0.145 2.052 1.00 12.79 C ATOM 454 CD1 PHE A 83 -10.676 0.115 2.076 1.00 13.60 C ATOM 455 CD2 PHE A 83 -8.637 0.149 0.803 1.00 12.95 C ATOM 456 CE1 PHE A 83 -11.414 0.078 0.899 1.00 13.48 C ATOM 457 CE2 PHE A 83 -9.375 0.115 -0.367 1.00 13.30 C ATOM 458 CZ PHE A 83 -10.763 0.094 -0.320 1.00 13.49 C ATOM 459 H PHE A 83 -6.756 1.759 2.253 1.00 0.00 H ATOM 460 N GLN A 84 -6.146 2.062 5.130 1.00 12.86 N ATOM 461 CA GLN A 84 -5.235 1.939 6.272 1.00 13.45 C ATOM 462 C GLN A 84 -5.489 2.899 7.436 1.00 14.01 C ATOM 463 O GLN A 84 -4.807 2.815 8.462 1.00 14.00 O ATOM 464 CB GLN A 84 -3.794 2.098 5.808 1.00 14.24 C ATOM 465 CG GLN A 84 -3.230 0.868 5.119 1.00 14.64 C ATOM 466 CD GLN A 84 -1.839 1.109 4.529 1.00 14.79 C ATOM 467 OE1 GLN A 84 -1.434 2.234 4.307 1.00 14.87 O ATOM 468 NE2 GLN A 84 -1.133 0.035 4.234 1.00 14.70 N ATOM 469 HE22 GLN A 84 -1.514 -0.911 4.440 1.00 0.00 H ATOM 470 HE21 GLN A 84 -0.195 0.133 3.796 1.00 0.00 H ATOM 471 H GLN A 84 -5.862 2.631 4.307 1.00 0.00 H ATOM 472 N GLN A 85 -6.421 3.831 7.267 1.00 14.41 N ATOM 473 CA GLN A 85 -6.843 4.727 8.338 1.00 14.78 C ATOM 474 C GLN A 85 -8.280 5.171 8.080 1.00 14.20 C ATOM 475 O GLN A 85 -8.766 5.031 6.964 1.00 13.03 O ATOM 476 CB GLN A 85 -5.907 5.962 8.385 1.00 15.34 C ATOM 477 CG GLN A 85 -5.779 6.726 7.065 1.00 15.95 C ATOM 478 CD GLN A 85 -4.943 6.033 6.026 1.00 15.60 C ATOM 479 OE1 GLN A 85 -3.831 5.582 6.306 1.00 17.55 O ATOM 480 NE2 GLN A 85 -5.461 5.949 4.814 1.00 15.99 N ATOM 481 HE22 GLN A 85 -6.404 6.344 4.623 1.00 0.00 H ATOM 482 HE21 GLN A 85 -4.926 5.488 4.051 1.00 0.00 H ATOM 483 H GLN A 85 -6.868 3.926 6.333 1.00 0.00 H ATOM 484 N PRO A 86 -8.950 5.729 9.104 1.00 14.30 N ATOM 485 CA PRO A 86 -10.263 6.305 8.880 1.00 15.04 C ATOM 486 C PRO A 86 -10.278 7.336 7.767 1.00 16.15 C ATOM 487 O PRO A 86 -9.284 8.054 7.551 1.00 16.40 O ATOM 488 CB PRO A 86 -10.575 7.002 10.205 1.00 15.27 C ATOM 489 CG PRO A 86 -9.807 6.240 11.220 1.00 15.64 C ATOM 490 CD PRO A 86 -8.537 5.861 10.516 1.00 14.75 C ATOM 491 N VAL A 87 -11.410 7.400 7.085 1.00 16.06 N ATOM 492 CA VAL A 87 -11.649 8.378 6.053 1.00 16.71 C ATOM 493 C VAL A 87 -11.560 9.774 6.683 1.00 16.86 C ATOM 494 O VAL A 87 -12.278 10.085 7.635 1.00 16.24 O ATOM 495 CB VAL A 87 -13.012 8.138 5.388 1.00 16.67 C ATOM 496 CG1 VAL A 87 -13.422 9.329 4.545 1.00 17.17 C ATOM 497 CG2 VAL A 87 -12.978 6.850 4.547 1.00 16.35 C ATOM 498 H VAL A 87 -12.161 6.714 7.303 1.00 0.00 H ATOM 499 N ASP A 88 -10.632 10.570 6.159 1.00 17.52 N ATOM 500 CA ASP A 88 -10.529 11.997 6.438 1.00 18.74 C ATOM 501 C ASP A 88 -11.384 12.693 5.389 1.00 19.04 C ATOM 502 O ASP A 88 -10.942 12.964 4.261 1.00 19.85 O ATOM 503 CB ASP A 88 -9.055 12.445 6.398 1.00 20.55 C ATOM 504 CG ASP A 88 -8.840 13.894 6.874 1.00 21.28 C ATOM 505 OD1 ASP A 88 -9.783 14.697 6.826 1.00 21.68 O ATOM 506 OD2 ASP A 88 -7.713 14.227 7.294 1.00 24.05 O ATOM 507 H ASP A 88 -9.937 10.148 5.510 1.00 0.00 H ATOM 508 N ALA A 89 -12.633 12.953 5.759 1.00 18.25 N ATOM 509 CA ALA A 89 -13.602 13.588 4.869 1.00 19.60 C ATOM 510 C ALA A 89 -13.240 15.033 4.469 1.00 19.63 C ATOM 511 O ALA A 89 -13.722 15.534 3.440 1.00 18.88 O ATOM 512 CB ALA A 89 -15.001 13.568 5.492 1.00 18.96 C ATOM 513 H ALA A 89 -12.933 12.694 6.721 1.00 0.00 H ATOM 514 N VAL A 90 -12.440 15.686 5.307 1.00 22.11 N ATOM 515 CA VAL A 90 -11.956 17.043 5.047 1.00 23.75 C ATOM 516 C VAL A 90 -10.860 17.037 3.986 1.00 26.01 C ATOM 517 O VAL A 90 -10.998 17.695 2.948 1.00 26.07 O ATOM 518 CB VAL A 90 -11.432 17.724 6.328 1.00 24.65 C ATOM 519 CG1 VAL A 90 -10.922 19.127 6.008 1.00 25.86 C ATOM 520 CG2 VAL A 90 -12.505 17.759 7.421 1.00 25.22 C ATOM 521 H VAL A 90 -12.146 15.212 6.185 1.00 0.00 H ATOM 522 N LYS A 91 -9.782 16.299 4.257 1.00 26.18 N ATOM 523 CA LYS A 91 -8.643 16.173 3.326 1.00 28.32 C ATOM 524 C LYS A 91 -9.028 15.619 1.971 1.00 28.78 C ATOM 525 O LYS A 91 -8.629 16.168 0.929 1.00 30.80 O ATOM 526 CB LYS A 91 -7.552 15.281 3.928 1.00 30.36 C ATOM 527 CG LYS A 91 -6.309 15.132 3.059 1.00 30.97 C ATOM 528 CD LYS A 91 -5.281 14.241 3.722 1.00 32.65 C ATOM 529 CE LYS A 91 -4.170 13.892 2.754 1.00 33.75 C ATOM 530 NZ LYS A 91 -3.146 13.030 3.403 1.00 34.84 N ATOM 531 HZ1 LYS A 91 -2.735 13.533 4.215 1.00 0.00 H ATOM 532 HZ2 LYS A 91 -3.593 12.149 3.730 1.00 0.00 H ATOM 533 HZ3 LYS A 91 -2.397 12.807 2.717 1.00 0.00 H ATOM 534 H LYS A 91 -9.742 15.790 5.163 1.00 0.00 H ATOM 535 N LEU A 92 -9.815 14.544 1.973 1.00 25.44 N ATOM 536 CA LEU A 92 -10.185 13.855 0.744 1.00 24.64 C ATOM 537 C LEU A 92 -11.349 14.501 -0.003 1.00 22.37 C ATOM 538 O LEU A 92 -11.775 14.010 -1.049 1.00 25.78 O ATOM 539 CB LEU A 92 -10.499 12.395 1.065 1.00 24.06 C ATOM 540 CG LEU A 92 -9.380 11.623 1.781 1.00 24.92 C ATOM 541 CD1 LEU A 92 -9.845 10.197 2.030 1.00 25.52 C ATOM 542 CD2 LEU A 92 -8.048 11.625 1.037 1.00 25.39 C ATOM 543 H LEU A 92 -10.176 14.186 2.880 1.00 0.00 H ATOM 544 N ASN A 93 -11.889 15.587 0.537 1.00 22.55 N ATOM 545 CA ASN A 93 -12.989 16.295 -0.080 1.00 22.71 C ATOM 546 C ASN A 93 -14.209 15.408 -0.306 1.00 21.44 C ATOM 547 O ASN A 93 -14.801 15.361 -1.391 1.00 22.16 O ATOM 548 CB ASN A 93 -12.494 16.959 -1.375 1.00 24.71 C ATOM 549 CG ASN A 93 -12.795 18.424 -1.412 1.00 25.25 C ATOM 550 OD1 ASN A 93 -13.240 19.003 -0.424 1.00 24.15 O ATOM 551 ND2 ASN A 93 -12.538 19.042 -2.558 1.00 26.97 N ATOM 552 HD22 ASN A 93 -12.162 18.505 -3.365 1.00 0.00 H ATOM 553 HD21 ASN A 93 -12.713 20.063 -2.649 1.00 0.00 H ATOM 554 H ASN A 93 -11.507 15.942 1.437 1.00 0.00 H ATOM 555 N LEU A 94 -14.586 14.709 0.766 1.00 19.51 N ATOM 556 CA LEU A 94 -15.754 13.832 0.777 1.00 19.40 C ATOM 557 C LEU A 94 -16.687 14.310 1.876 1.00 20.01 C ATOM 558 O LEU A 94 -16.928 13.598 2.848 1.00 18.47 O ATOM 559 CB LEU A 94 -15.323 12.386 1.020 1.00 18.36 C ATOM 560 CG LEU A 94 -14.285 11.865 -0.010 1.00 20.38 C ATOM 561 CD1 LEU A 94 -13.783 10.462 0.359 1.00 19.33 C ATOM 562 CD2 LEU A 94 -14.865 11.860 -1.415 1.00 19.77 C ATOM 563 H LEU A 94 -14.021 14.793 1.635 1.00 0.00 H ATOM 564 N PRO A 95 -17.246 15.517 1.714 1.00 19.54 N ATOM 565 CA PRO A 95 -18.013 16.116 2.809 1.00 19.38 C ATOM 566 C PRO A 95 -19.300 15.389 3.159 1.00 18.64 C ATOM 567 O PRO A 95 -19.804 15.546 4.271 1.00 20.26 O ATOM 568 CB PRO A 95 -18.284 17.544 2.294 1.00 19.62 C ATOM 569 CG PRO A 95 -18.330 17.377 0.826 1.00 19.26 C ATOM 570 CD PRO A 95 -17.204 16.411 0.545 1.00 20.42 C ATOM 571 N ASP A 96 -19.816 14.593 2.232 1.00 17.93 N ATOM 572 CA ASP A 96 -20.987 13.781 2.471 1.00 18.29 C ATOM 573 C ASP A 96 -20.671 12.419 3.086 1.00 17.00 C ATOM 574 O ASP A 96 -21.604 11.662 3.399 1.00 17.57 O ATOM 575 CB ASP A 96 -21.760 13.560 1.165 1.00 19.07 C ATOM 576 CG ASP A 96 -20.919 12.936 0.079 1.00 19.39 C ATOM 577 OD1 ASP A 96 -19.671 12.892 0.223 1.00 22.30 O ATOM 578 OD2 ASP A 96 -21.504 12.541 -0.929 1.00 20.70 O ATOM 579 H ASP A 96 -19.361 14.552 1.298 1.00 0.00 H ATOM 580 N TYR A 97 -19.384 12.087 3.243 1.00 15.61 N ATOM 581 CA TYR A 97 -19.039 10.712 3.641 1.00 14.44 C ATOM 582 C TYR A 97 -19.752 10.266 4.906 1.00 14.41 C ATOM 583 O TYR A 97 -20.384 9.214 4.903 1.00 13.76 O ATOM 584 CB TYR A 97 -17.530 10.491 3.812 1.00 14.28 C ATOM 585 CG TYR A 97 -17.211 9.015 3.973 1.00 14.23 C ATOM 586 CD1 TYR A 97 -17.153 8.170 2.863 1.00 14.19 C ATOM 587 CD2 TYR A 97 -16.983 8.463 5.244 1.00 13.77 C ATOM 588 CE1 TYR A 97 -16.872 6.812 2.997 1.00 13.89 C ATOM 589 CE2 TYR A 97 -16.693 7.110 5.390 1.00 14.02 C ATOM 590 CZ TYR A 97 -16.643 6.290 4.278 1.00 13.91 C ATOM 591 OH TYR A 97 -16.374 4.948 4.446 1.00 13.28 O ATOM 592 HH TYR A 97 -16.373 4.500 3.563 1.00 0.00 H ATOM 593 H TYR A 97 -18.636 12.792 3.086 1.00 0.00 H ATOM 594 N TYR A 98 -19.643 11.070 5.963 1.00 15.10 N ATOM 595 CA TYR A 98 -20.237 10.767 7.271 1.00 15.67 C ATOM 596 C TYR A 98 -21.716 11.196 7.390 1.00 16.38 C ATOM 597 O TYR A 98 -22.324 11.026 8.447 1.00 17.48 O ATOM 598 CB TYR A 98 -19.368 11.332 8.406 1.00 15.47 C ATOM 599 CG TYR A 98 -17.989 10.667 8.471 1.00 15.14 C ATOM 600 CD1 TYR A 98 -17.871 9.328 8.818 1.00 15.19 C ATOM 601 CD2 TYR A 98 -16.818 11.363 8.154 1.00 14.92 C ATOM 602 CE1 TYR A 98 -16.641 8.700 8.854 1.00 15.04 C ATOM 603 CE2 TYR A 98 -15.556 10.739 8.221 1.00 14.91 C ATOM 604 CZ TYR A 98 -15.484 9.390 8.556 1.00 15.59 C ATOM 605 OH TYR A 98 -14.286 8.688 8.626 1.00 16.04 O ATOM 606 HH TYR A 98 -13.839 8.711 7.743 1.00 0.00 H ATOM 607 H TYR A 98 -19.110 11.957 5.856 1.00 0.00 H ATOM 608 N LYS A 99 -22.289 11.729 6.308 1.00 17.66 N ATOM 609 CA LYS A 99 -23.749 11.803 6.157 1.00 18.28 C ATOM 610 C LYS A 99 -24.317 10.442 5.739 1.00 18.31 C ATOM 611 O LYS A 99 -25.411 10.041 6.133 1.00 18.95 O ATOM 612 CB LYS A 99 -24.140 12.876 5.144 1.00 18.62 C ATOM 613 CG LYS A 99 -23.517 14.234 5.361 1.00 20.29 C ATOM 614 CD LYS A 99 -23.823 14.813 6.731 1.00 21.18 C ATOM 615 CE LYS A 99 -23.533 16.313 6.794 1.00 23.53 C ATOM 616 NZ LYS A 99 -23.321 16.746 8.202 1.00 24.79 N ATOM 617 HZ1 LYS A 99 -24.176 16.544 8.758 1.00 0.00 H ATOM 618 HZ2 LYS A 99 -22.514 16.229 8.605 1.00 0.00 H ATOM 619 HZ3 LYS A 99 -23.126 17.767 8.224 1.00 0.00 H ATOM 620 H LYS A 99 -21.684 12.103 5.549 1.00 0.00 H ATOM 621 N ILE A 100 -23.545 9.714 4.941 1.00 18.30 N ATOM 622 CA ILE A 100 -23.966 8.441 4.355 1.00 17.44 C ATOM 623 C ILE A 100 -23.506 7.272 5.226 1.00 17.12 C ATOM 624 O ILE A 100 -24.302 6.374 5.547 1.00 17.24 O ATOM 625 CB ILE A 100 -23.452 8.344 2.891 1.00 17.82 C ATOM 626 CG1 ILE A 100 -24.146 9.408 2.035 1.00 18.73 C ATOM 627 CG2 ILE A 100 -23.737 6.984 2.280 1.00 17.59 C ATOM 628 CD1 ILE A 100 -23.365 9.797 0.801 1.00 19.78 C ATOM 629 H ILE A 100 -22.592 10.067 4.721 1.00 0.00 H ATOM 630 N ILE A 101 -22.234 7.298 5.636 1.00 15.92 N ATOM 631 CA ILE A 101 -21.630 6.196 6.386 1.00 15.79 C ATOM 632 C ILE A 101 -21.624 6.545 7.883 1.00 15.70 C ATOM 633 O ILE A 101 -20.841 7.391 8.324 1.00 15.82 O ATOM 634 CB ILE A 101 -20.200 5.899 5.869 1.00 14.86 C ATOM 635 CG1 ILE A 101 -20.232 5.561 4.360 1.00 14.94 C ATOM 636 CG2 ILE A 101 -19.539 4.770 6.652 1.00 15.32 C ATOM 637 CD1 ILE A 101 -21.102 4.392 3.957 1.00 14.84 C ATOM 638 H ILE A 101 -21.653 8.131 5.414 1.00 0.00 H ATOM 639 N LYS A 102 -22.480 5.855 8.642 1.00 16.62 N ATOM 640 CA LYS A 102 -22.607 6.051 10.102 1.00 17.40 C ATOM 641 C LYS A 102 -21.933 4.969 10.939 1.00 17.13 C ATOM 642 O LYS A 102 -21.864 5.125 12.149 1.00 16.01 O ATOM 643 CB LYS A 102 -24.092 6.088 10.507 1.00 19.13 C ATOM 644 CG LYS A 102 -24.933 7.119 9.782 1.00 20.40 C ATOM 645 CD LYS A 102 -24.344 8.502 9.996 1.00 21.38 C ATOM 646 CE LYS A 102 -25.350 9.597 9.729 1.00 22.58 C ATOM 647 NZ LYS A 102 -24.667 10.899 9.750 1.00 23.27 N ATOM 648 HZ1 LYS A 102 -24.231 11.045 10.683 1.00 0.00 H ATOM 649 HZ2 LYS A 102 -23.931 10.915 9.016 1.00 0.00 H ATOM 650 HZ3 LYS A 102 -25.358 11.654 9.566 1.00 0.00 H ATOM 651 H LYS A 102 -23.087 5.145 8.184 1.00 0.00 H ATOM 652 N THR A 103 -21.480 3.877 10.313 1.00 17.33 N ATOM 653 CA THR A 103 -20.663 2.843 10.984 1.00 17.09 C ATOM 654 C THR A 103 -19.326 2.703 10.236 1.00 15.74 C ATOM 655 O THR A 103 -19.051 1.706 9.556 1.00 15.18 O ATOM 656 CB THR A 103 -21.416 1.501 11.090 1.00 18.55 C ATOM 657 OG1 THR A 103 -22.702 1.720 11.681 1.00 20.22 O ATOM 658 CG2 THR A 103 -20.681 0.538 11.961 1.00 19.72 C ATOM 659 HG1 THR A 103 -23.184 0.858 11.748 1.00 0.00 H ATOM 660 H THR A 103 -21.713 3.749 9.308 1.00 0.00 H ATOM 661 N PRO A 104 -18.471 3.726 10.355 1.00 14.30 N ATOM 662 CA PRO A 104 -17.231 3.659 9.590 1.00 13.89 C ATOM 663 C PRO A 104 -16.278 2.598 10.141 1.00 13.28 C ATOM 664 O PRO A 104 -16.319 2.268 11.322 1.00 12.13 O ATOM 665 CB PRO A 104 -16.632 5.059 9.742 1.00 14.35 C ATOM 666 CG PRO A 104 -17.325 5.686 10.887 1.00 14.79 C ATOM 667 CD PRO A 104 -18.641 5.005 11.065 1.00 14.47 C ATOM 668 N MET A 105 -15.455 2.049 9.270 1.00 12.24 N ATOM 669 CA MET A 105 -14.446 1.093 9.687 1.00 12.53 C ATOM 670 C MET A 105 -13.332 1.089 8.651 1.00 12.66 C ATOM 671 O MET A 105 -13.567 1.386 7.477 1.00 12.43 O ATOM 672 CB MET A 105 -15.071 -0.286 9.834 1.00 12.42 C ATOM 673 CG MET A 105 -14.135 -1.338 10.334 1.00 12.84 C ATOM 674 SD MET A 105 -13.319 -0.941 11.887 1.00 13.43 S ATOM 675 CE MET A 105 -14.687 -0.737 13.004 1.00 12.95 C ATOM 676 H MET A 105 -15.530 2.306 8.265 1.00 0.00 H ATOM 677 N ASP A 106 -12.112 0.799 9.115 1.00 12.27 N ATOM 678 CA ASP A 106 -10.913 0.817 8.270 1.00 12.35 C ATOM 679 C ASP A 106 -9.894 -0.198 8.813 1.00 12.08 C ATOM 680 O ASP A 106 -10.040 -0.675 9.938 1.00 12.09 O ATOM 681 CB ASP A 106 -10.313 2.208 8.306 1.00 12.72 C ATOM 682 CG ASP A 106 -9.829 2.580 9.697 1.00 13.35 C ATOM 683 OD1 ASP A 106 -10.685 3.006 10.517 1.00 13.25 O ATOM 684 OD2 ASP A 106 -8.610 2.373 9.978 1.00 13.82 O ATOM 685 H ASP A 106 -12.009 0.550 10.119 1.00 0.00 H ATOM 686 N MET A 107 -8.893 -0.552 8.024 1.00 12.22 N ATOM 687 CA MET A 107 -7.913 -1.571 8.452 1.00 13.41 C ATOM 688 C MET A 107 -6.948 -1.074 9.529 1.00 12.86 C ATOM 689 O MET A 107 -6.355 -1.880 10.254 1.00 12.13 O ATOM 690 CB MET A 107 -7.100 -2.128 7.264 1.00 14.68 C ATOM 691 CG MET A 107 -7.883 -2.876 6.204 1.00 16.08 C ATOM 692 SD MET A 107 -6.797 -4.065 5.358 1.00 17.79 S ATOM 693 CE MET A 107 -5.550 -2.944 4.791 1.00 17.95 C ATOM 694 H MET A 107 -8.795 -0.107 7.089 1.00 0.00 H ATOM 695 N GLY A 108 -6.784 0.239 9.649 1.00 12.81 N ATOM 696 CA GLY A 108 -5.974 0.809 10.714 1.00 12.83 C ATOM 697 C GLY A 108 -6.573 0.533 12.081 1.00 13.41 C ATOM 698 O GLY A 108 -5.873 0.108 13.000 1.00 13.80 O ATOM 699 H GLY A 108 -7.245 0.873 8.966 1.00 0.00 H ATOM 700 N THR A 109 -7.885 0.746 12.180 1.00 12.00 N ATOM 701 CA THR A 109 -8.686 0.397 13.349 1.00 12.73 C ATOM 702 C THR A 109 -8.639 -1.092 13.601 1.00 12.50 C ATOM 703 O THR A 109 -8.408 -1.508 14.724 1.00 13.08 O ATOM 704 CB THR A 109 -10.155 0.862 13.150 1.00 12.94 C ATOM 705 OG1 THR A 109 -10.176 2.277 12.996 1.00 13.96 O ATOM 706 CG2 THR A 109 -11.084 0.478 14.296 1.00 13.26 C ATOM 707 HG1 THR A 109 -9.798 2.702 13.806 1.00 0.00 H ATOM 708 H THR A 109 -8.369 1.189 11.373 1.00 0.00 H ATOM 709 N ILE A 110 -8.835 -1.900 12.567 1.00 12.80 N ATOM 710 CA ILE A 110 -8.809 -3.354 12.744 1.00 13.11 C ATOM 711 C ILE A 110 -7.424 -3.813 13.229 1.00 14.06 C ATOM 712 O ILE A 110 -7.326 -4.637 14.149 1.00 14.23 O ATOM 713 CB ILE A 110 -9.211 -4.109 11.468 1.00 12.62 C ATOM 714 CG1 ILE A 110 -10.670 -3.836 11.115 1.00 12.80 C ATOM 715 CG2 ILE A 110 -9.029 -5.609 11.627 1.00 13.21 C ATOM 716 CD1 ILE A 110 -11.046 -4.270 9.717 1.00 12.46 C ATOM 717 H ILE A 110 -9.008 -1.498 11.624 1.00 0.00 H ATOM 718 N LYS A 111 -6.369 -3.294 12.611 1.00 14.94 N ATOM 719 CA LYS A 111 -5.000 -3.607 13.039 1.00 16.27 C ATOM 720 C LYS A 111 -4.798 -3.326 14.529 1.00 17.02 C ATOM 721 O LYS A 111 -4.290 -4.179 15.258 1.00 17.70 O ATOM 722 CB LYS A 111 -3.992 -2.792 12.223 1.00 17.62 C ATOM 723 CG LYS A 111 -2.521 -3.115 12.488 1.00 19.17 C ATOM 724 CD LYS A 111 -1.674 -2.480 11.385 1.00 20.78 C ATOM 725 CE LYS A 111 -0.209 -2.846 11.524 1.00 23.67 C ATOM 726 NZ LYS A 111 0.438 -2.147 12.655 1.00 26.01 N ATOM 727 HZ1 LYS A 111 0.374 -1.119 12.508 1.00 0.00 H ATOM 728 HZ2 LYS A 111 -0.044 -2.402 13.540 1.00 0.00 H ATOM 729 HZ3 LYS A 111 1.437 -2.429 12.709 1.00 0.00 H ATOM 730 H LYS A 111 -6.516 -2.652 11.806 1.00 0.00 H ATOM 731 N LYS A 112 -5.211 -2.142 14.970 1.00 17.38 N ATOM 732 CA LYS A 112 -5.070 -1.764 16.370 1.00 18.26 C ATOM 733 C LYS A 112 -5.922 -2.642 17.288 1.00 17.46 C ATOM 734 O LYS A 112 -5.464 -3.031 18.373 1.00 17.79 O ATOM 735 CB LYS A 112 -5.381 -0.289 16.576 1.00 20.92 C ATOM 736 CG LYS A 112 -4.296 0.594 15.968 1.00 25.15 C ATOM 737 CD LYS A 112 -4.275 2.004 16.506 1.00 29.93 C ATOM 738 CE LYS A 112 -3.049 2.722 15.936 1.00 32.07 C ATOM 739 NZ LYS A 112 -3.050 4.189 16.194 1.00 35.40 N ATOM 740 HZ1 LYS A 112 -3.893 4.616 15.759 1.00 0.00 H ATOM 741 HZ2 LYS A 112 -3.064 4.359 17.220 1.00 0.00 H ATOM 742 HZ3 LYS A 112 -2.194 4.613 15.782 1.00 0.00 H ATOM 743 H LYS A 112 -5.643 -1.472 14.302 1.00 0.00 H ATOM 744 N ARG A 113 -7.129 -2.974 16.847 1.00 15.93 N ATOM 745 CA ARG A 113 -7.990 -3.901 17.605 1.00 15.55 C ATOM 746 C ARG A 113 -7.333 -5.276 17.755 1.00 16.31 C ATOM 747 O ARG A 113 -7.328 -5.848 18.848 1.00 16.92 O ATOM 748 CB ARG A 113 -9.376 -4.022 16.945 1.00 14.94 C ATOM 749 CG ARG A 113 -10.256 -2.809 17.191 1.00 14.07 C ATOM 750 CD ARG A 113 -11.612 -2.919 16.515 1.00 14.18 C ATOM 751 NE ARG A 113 -12.415 -1.744 16.835 1.00 13.62 N ATOM 752 CZ ARG A 113 -13.731 -1.618 16.627 1.00 14.09 C ATOM 753 NH1 ARG A 113 -14.456 -2.580 16.064 1.00 13.79 N ATOM 754 NH2 ARG A 113 -14.335 -0.488 16.988 1.00 13.95 N ATOM 755 HE ARG A 113 -11.922 -0.934 17.262 1.00 0.00 H ATOM 756 HH12 ARG A 113 -15.477 -2.445 15.919 1.00 0.00 H ATOM 757 HH11 ARG A 113 -14.002 -3.468 15.769 1.00 0.00 H ATOM 758 HH22 ARG A 113 -15.357 -0.372 16.834 1.00 0.00 H ATOM 759 HH21 ARG A 113 -13.785 0.279 17.424 1.00 0.00 H ATOM 760 H ARG A 113 -7.474 -2.573 15.951 1.00 0.00 H ATOM 761 N LEU A 114 -6.740 -5.798 16.680 1.00 16.55 N ATOM 762 CA LEU A 114 -6.047 -7.072 16.791 1.00 17.75 C ATOM 763 C LEU A 114 -4.813 -6.975 17.704 1.00 19.83 C ATOM 764 O LEU A 114 -4.637 -7.805 18.594 1.00 20.76 O ATOM 765 CB LEU A 114 -5.669 -7.622 15.425 1.00 17.31 C ATOM 766 CG LEU A 114 -6.852 -8.100 14.581 1.00 17.10 C ATOM 767 CD1 LEU A 114 -6.518 -8.168 13.096 1.00 16.79 C ATOM 768 CD2 LEU A 114 -7.378 -9.449 15.060 1.00 16.35 C ATOM 769 H LEU A 114 -6.773 -5.297 15.769 1.00 0.00 H ATOM 770 N GLU A 115 -3.973 -5.965 17.492 1.00 21.43 N ATOM 771 CA GLU A 115 -2.767 -5.770 18.322 1.00 22.39 C ATOM 772 C GLU A 115 -3.091 -5.563 19.820 1.00 23.21 C ATOM 773 O GLU A 115 -2.327 -6.014 20.690 1.00 23.62 O ATOM 774 CB GLU A 115 -1.947 -4.589 17.812 1.00 22.27 C ATOM 775 CG GLU A 115 -1.333 -4.810 16.442 1.00 22.81 C ATOM 776 CD GLU A 115 -0.762 -3.542 15.837 1.00 22.89 C ATOM 777 OE1 GLU A 115 -1.070 -2.429 16.306 1.00 25.03 O ATOM 778 OE2 GLU A 115 -0.021 -3.667 14.847 1.00 25.91 O ATOM 779 H GLU A 115 -4.171 -5.295 16.721 1.00 0.00 H ATOM 780 N ASN A 116 -4.225 -4.909 20.098 1.00 23.59 N ATOM 781 CA ASN A 116 -4.700 -4.633 21.459 1.00 24.59 C ATOM 782 C ASN A 116 -5.585 -5.747 22.045 1.00 23.40 C ATOM 783 O ASN A 116 -6.132 -5.568 23.118 1.00 24.72 O ATOM 784 CB ASN A 116 -5.506 -3.322 21.502 1.00 27.21 C ATOM 785 CG ASN A 116 -4.683 -2.098 21.158 1.00 30.56 C ATOM 786 OD1 ASN A 116 -3.470 -2.179 20.993 1.00 34.44 O ATOM 787 ND2 ASN A 116 -5.350 -0.947 21.044 1.00 31.76 N ATOM 788 HD22 ASN A 116 -6.379 -0.925 21.193 1.00 0.00 H ATOM 789 HD21 ASN A 116 -4.840 -0.072 20.806 1.00 0.00 H ATOM 790 H ASN A 116 -4.805 -4.576 19.301 1.00 0.00 H ATOM 791 N ASN A 117 -5.728 -6.872 21.351 1.00 22.46 N ATOM 792 CA ASN A 117 -6.594 -7.982 21.768 1.00 24.10 C ATOM 793 C ASN A 117 -8.030 -7.533 22.114 1.00 21.45 C ATOM 794 O ASN A 117 -8.588 -7.937 23.112 1.00 23.04 O ATOM 795 CB ASN A 117 -5.958 -8.776 22.930 1.00 26.55 C ATOM 796 CG ASN A 117 -4.512 -9.148 22.655 1.00 29.49 C ATOM 797 OD1 ASN A 117 -4.231 -10.007 21.832 1.00 32.94 O ATOM 798 ND2 ASN A 117 -3.588 -8.471 23.317 1.00 32.10 N ATOM 799 HD22 ASN A 117 -3.869 -7.748 24.009 1.00 0.00 H ATOM 800 HD21 ASN A 117 -2.580 -8.662 23.145 1.00 0.00 H ATOM 801 H ASN A 117 -5.196 -6.971 20.463 1.00 0.00 H ATOM 802 N TYR A 118 -8.614 -6.712 21.249 1.00 18.18 N ATOM 803 CA TYR A 118 -9.942 -6.143 21.468 1.00 15.74 C ATOM 804 C TYR A 118 -11.090 -7.147 21.327 1.00 15.15 C ATOM 805 O TYR A 118 -12.157 -6.963 21.923 1.00 14.42 O ATOM 806 CB TYR A 118 -10.101 -4.980 20.490 1.00 15.57 C ATOM 807 CG TYR A 118 -11.413 -4.257 20.479 1.00 15.39 C ATOM 808 CD1 TYR A 118 -11.641 -3.184 21.339 1.00 15.16 C ATOM 809 CD2 TYR A 118 -12.399 -4.589 19.563 1.00 15.18 C ATOM 810 CE1 TYR A 118 -12.832 -2.486 21.320 1.00 15.80 C ATOM 811 CE2 TYR A 118 -13.600 -3.900 19.524 1.00 15.94 C ATOM 812 CZ TYR A 118 -13.811 -2.850 20.393 1.00 16.31 C ATOM 813 OH TYR A 118 -14.996 -2.185 20.345 1.00 17.52 O ATOM 814 HH TYR A 118 -14.996 -1.464 21.024 1.00 0.00 H ATOM 815 H TYR A 118 -8.104 -6.463 20.378 1.00 0.00 H ATOM 816 N TYR A 119 -10.876 -8.202 20.548 1.00 13.90 N ATOM 817 CA TYR A 119 -11.949 -9.089 20.153 1.00 14.44 C ATOM 818 C TYR A 119 -12.155 -10.279 21.105 1.00 14.62 C ATOM 819 O TYR A 119 -11.217 -10.762 21.723 1.00 15.42 O ATOM 820 CB TYR A 119 -11.662 -9.630 18.748 1.00 13.88 C ATOM 821 CG TYR A 119 -11.586 -8.566 17.648 1.00 13.28 C ATOM 822 CD1 TYR A 119 -12.731 -7.864 17.245 1.00 13.57 C ATOM 823 CD2 TYR A 119 -10.399 -8.285 17.003 1.00 13.44 C ATOM 824 CE1 TYR A 119 -12.664 -6.896 16.240 1.00 13.27 C ATOM 825 CE2 TYR A 119 -10.333 -7.322 15.998 1.00 13.34 C ATOM 826 CZ TYR A 119 -11.458 -6.643 15.607 1.00 13.20 C ATOM 827 OH TYR A 119 -11.357 -5.697 14.579 1.00 12.50 O ATOM 828 HH TYR A 119 -12.247 -5.296 14.413 1.00 0.00 H ATOM 829 H TYR A 119 -9.911 -8.396 20.213 1.00 0.00 H ATOM 830 N TRP A 120 -13.382 -10.770 21.120 1.00 14.60 N ATOM 831 CA TRP A 120 -13.760 -12.031 21.795 1.00 15.01 C ATOM 832 C TRP A 120 -13.570 -13.264 20.883 1.00 14.74 C ATOM 833 O TRP A 120 -13.230 -14.356 21.349 1.00 16.35 O ATOM 834 CB TRP A 120 -15.221 -11.933 22.242 1.00 14.52 C ATOM 835 CG TRP A 120 -15.735 -13.126 22.945 1.00 14.63 C ATOM 836 CD1 TRP A 120 -16.535 -14.090 22.431 1.00 14.76 C ATOM 837 CD2 TRP A 120 -15.481 -13.486 24.296 1.00 15.32 C ATOM 838 NE1 TRP A 120 -16.817 -15.039 23.389 1.00 15.18 N ATOM 839 CE2 TRP A 120 -16.174 -14.693 24.546 1.00 15.41 C ATOM 840 CE3 TRP A 120 -14.741 -12.897 25.339 1.00 15.98 C ATOM 841 CZ2 TRP A 120 -16.149 -15.326 25.795 1.00 15.91 C ATOM 842 CZ3 TRP A 120 -14.718 -13.523 26.576 1.00 16.02 C ATOM 843 CH2 TRP A 120 -15.421 -14.728 26.791 1.00 16.13 C ATOM 844 HE1 TRP A 120 -17.418 -15.877 23.255 1.00 0.00 H ATOM 845 H TRP A 120 -14.127 -10.237 20.627 1.00 0.00 H ATOM 846 N ASN A 121 -13.820 -13.093 19.593 1.00 14.67 N ATOM 847 CA ASN A 121 -13.683 -14.181 18.627 1.00 15.60 C ATOM 848 C ASN A 121 -13.369 -13.636 17.225 1.00 15.67 C ATOM 849 O ASN A 121 -13.442 -12.410 16.982 1.00 14.88 O ATOM 850 CB ASN A 121 -14.920 -15.094 18.641 1.00 16.11 C ATOM 851 CG ASN A 121 -16.216 -14.383 18.291 1.00 17.47 C ATOM 852 OD1 ASN A 121 -16.227 -13.357 17.614 1.00 18.08 O ATOM 853 ND2 ASN A 121 -17.338 -14.982 18.691 1.00 17.68 N ATOM 854 HD22 ASN A 121 -17.289 -15.849 19.263 1.00 0.00 H ATOM 855 HD21 ASN A 121 -18.262 -14.582 18.431 1.00 0.00 H ATOM 856 H ASN A 121 -14.123 -12.156 19.258 1.00 0.00 H ATOM 857 N ALA A 122 -13.022 -14.548 16.313 1.00 16.25 N ATOM 858 CA ALA A 122 -12.730 -14.181 14.922 1.00 16.30 C ATOM 859 C ALA A 122 -13.919 -13.514 14.225 1.00 16.54 C ATOM 860 O ALA A 122 -13.739 -12.603 13.399 1.00 16.71 O ATOM 861 CB ALA A 122 -12.295 -15.419 14.144 1.00 17.25 C ATOM 862 H ALA A 122 -12.957 -15.547 16.596 1.00 0.00 H ATOM 863 N GLN A 123 -15.138 -13.947 14.531 1.00 16.36 N ATOM 864 CA GLN A 123 -16.309 -13.381 13.844 1.00 19.91 C ATOM 865 C GLN A 123 -16.471 -11.893 14.066 1.00 17.27 C ATOM 866 O GLN A 123 -16.841 -11.174 13.138 1.00 16.97 O ATOM 867 CB GLN A 123 -17.624 -14.097 14.195 1.00 23.11 C ATOM 868 CG GLN A 123 -18.749 -13.861 13.191 1.00 29.48 C ATOM 869 CD GLN A 123 -18.320 -14.095 11.733 1.00 32.99 C ATOM 870 OE1 GLN A 123 -17.628 -15.077 11.422 1.00 38.28 O ATOM 871 NE2 GLN A 123 -18.696 -13.167 10.841 1.00 35.90 N ATOM 872 HE22 GLN A 123 -19.276 -12.359 11.144 1.00 0.00 H ATOM 873 HE21 GLN A 123 -18.407 -13.255 9.846 1.00 0.00 H ATOM 874 H GLN A 123 -15.263 -14.684 15.254 1.00 0.00 H ATOM 875 N GLU A 124 -16.193 -11.423 15.283 1.00 15.69 N ATOM 876 CA GLU A 124 -16.211 -9.989 15.548 1.00 15.25 C ATOM 877 C GLU A 124 -15.265 -9.226 14.629 1.00 14.40 C ATOM 878 O GLU A 124 -15.600 -8.139 14.151 1.00 13.40 O ATOM 879 CB GLU A 124 -15.829 -9.673 17.000 1.00 16.48 C ATOM 880 CG GLU A 124 -16.928 -9.957 18.014 1.00 18.14 C ATOM 881 CD GLU A 124 -16.502 -9.644 19.453 1.00 19.21 C ATOM 882 OE1 GLU A 124 -15.312 -9.305 19.679 1.00 18.20 O ATOM 883 OE2 GLU A 124 -17.369 -9.743 20.376 1.00 22.20 O ATOM 884 H GLU A 124 -15.961 -12.086 16.050 1.00 0.00 H ATOM 885 N CYS A 125 -14.080 -9.792 14.419 1.00 13.29 N ATOM 886 CA CYS A 125 -13.080 -9.215 13.547 1.00 13.69 C ATOM 887 C CYS A 125 -13.477 -9.271 12.086 1.00 14.18 C ATOM 888 O CYS A 125 -13.433 -8.263 11.392 1.00 13.22 O ATOM 889 CB CYS A 125 -11.700 -9.851 13.790 1.00 13.99 C ATOM 890 SG CYS A 125 -10.411 -9.195 12.694 1.00 14.36 S ATOM 891 H CYS A 125 -13.863 -10.687 14.902 1.00 0.00 H ATOM 892 N ILE A 126 -13.908 -10.440 11.618 1.00 15.10 N ATOM 893 CA ILE A 126 -14.409 -10.568 10.239 1.00 15.73 C ATOM 894 C ILE A 126 -15.561 -9.581 9.970 1.00 16.10 C ATOM 895 O ILE A 126 -15.600 -8.980 8.911 1.00 16.27 O ATOM 896 CB ILE A 126 -14.808 -12.017 9.938 1.00 16.74 C ATOM 897 CG1 ILE A 126 -13.537 -12.897 9.918 1.00 17.44 C ATOM 898 CG2 ILE A 126 -15.609 -12.105 8.645 1.00 17.24 C ATOM 899 CD1 ILE A 126 -13.787 -14.372 10.216 1.00 18.23 C ATOM 900 H ILE A 126 -13.891 -11.276 12.236 1.00 0.00 H ATOM 901 N GLN A 127 -16.443 -9.389 10.956 1.00 16.29 N ATOM 902 CA GLN A 127 -17.487 -8.337 10.950 1.00 18.28 C ATOM 903 C GLN A 127 -16.938 -6.957 10.549 1.00 16.56 C ATOM 904 O GLN A 127 -17.531 -6.247 9.711 1.00 14.33 O ATOM 905 CB GLN A 127 -18.085 -8.215 12.368 1.00 23.25 C ATOM 906 CG GLN A 127 -19.583 -8.175 12.512 1.00 28.66 C ATOM 907 CD GLN A 127 -20.019 -8.701 13.881 1.00 31.94 C ATOM 908 OE1 GLN A 127 -20.460 -9.849 14.005 1.00 36.24 O ATOM 909 NE2 GLN A 127 -19.844 -7.874 14.927 1.00 34.73 N ATOM 910 HE22 GLN A 127 -19.470 -6.916 14.775 1.00 0.00 H ATOM 911 HE21 GLN A 127 -20.083 -8.193 15.888 1.00 0.00 H ATOM 912 H GLN A 127 -16.393 -10.019 11.782 1.00 0.00 H ATOM 913 N ASP A 128 -15.821 -6.577 11.162 1.00 14.32 N ATOM 914 CA ASP A 128 -15.220 -5.263 10.894 1.00 13.70 C ATOM 915 C ASP A 128 -14.716 -5.164 9.467 1.00 12.95 C ATOM 916 O ASP A 128 -14.894 -4.133 8.831 1.00 12.38 O ATOM 917 CB ASP A 128 -14.064 -4.931 11.865 1.00 13.80 C ATOM 918 CG ASP A 128 -14.536 -4.622 13.278 1.00 14.84 C ATOM 919 OD1 ASP A 128 -15.739 -4.317 13.503 1.00 13.99 O ATOM 920 OD2 ASP A 128 -13.677 -4.668 14.190 1.00 14.57 O ATOM 921 H ASP A 128 -15.366 -7.219 11.841 1.00 0.00 H ATOM 922 N PHE A 129 -14.082 -6.218 8.958 1.00 12.73 N ATOM 923 CA PHE A 129 -13.676 -6.225 7.540 1.00 13.26 C ATOM 924 C PHE A 129 -14.886 -6.090 6.636 1.00 14.15 C ATOM 925 O PHE A 129 -14.865 -5.286 5.705 1.00 13.86 O ATOM 926 CB PHE A 129 -12.915 -7.504 7.169 1.00 13.37 C ATOM 927 CG PHE A 129 -11.476 -7.499 7.575 1.00 13.33 C ATOM 928 CD1 PHE A 129 -10.527 -6.861 6.777 1.00 13.48 C ATOM 929 CD2 PHE A 129 -11.052 -8.158 8.728 1.00 13.46 C ATOM 930 CE1 PHE A 129 -9.184 -6.866 7.118 1.00 14.14 C ATOM 931 CE2 PHE A 129 -9.703 -8.172 9.067 1.00 13.38 C ATOM 932 CZ PHE A 129 -8.776 -7.517 8.266 1.00 13.76 C ATOM 933 H PHE A 129 -13.872 -7.039 9.562 1.00 0.00 H ATOM 934 N ASN A 130 -15.946 -6.856 6.912 1.00 14.67 N ATOM 935 CA ASN A 130 -17.167 -6.771 6.116 1.00 15.65 C ATOM 936 C ASN A 130 -17.781 -5.376 6.157 1.00 14.36 C ATOM 937 O ASN A 130 -18.224 -4.892 5.128 1.00 14.87 O ATOM 938 CB ASN A 130 -18.204 -7.814 6.530 1.00 18.03 C ATOM 939 CG ASN A 130 -17.765 -9.252 6.241 1.00 21.53 C ATOM 940 OD1 ASN A 130 -16.843 -9.504 5.479 1.00 24.70 O ATOM 941 ND2 ASN A 130 -18.450 -10.206 6.860 1.00 23.97 N ATOM 942 HD22 ASN A 130 -19.229 -9.954 7.502 1.00 0.00 H ATOM 943 HD21 ASN A 130 -18.208 -11.205 6.703 1.00 0.00 H ATOM 944 H ASN A 130 -15.900 -7.524 7.708 1.00 0.00 H ATOM 945 N THR A 131 -17.784 -4.720 7.311 1.00 13.86 N ATOM 946 CA THR A 131 -18.295 -3.336 7.436 1.00 14.00 C ATOM 947 C THR A 131 -17.483 -2.378 6.545 1.00 13.63 C ATOM 948 O THR A 131 -18.053 -1.564 5.822 1.00 13.03 O ATOM 949 CB THR A 131 -18.272 -2.849 8.910 1.00 14.73 C ATOM 950 OG1 THR A 131 -19.162 -3.659 9.692 1.00 14.64 O ATOM 951 CG2 THR A 131 -18.683 -1.398 9.054 1.00 14.58 C ATOM 952 HG1 THR A 131 -19.148 -3.349 10.632 1.00 0.00 H ATOM 953 H THR A 131 -17.414 -5.196 8.159 1.00 0.00 H ATOM 954 N MET A 132 -16.163 -2.486 6.614 1.00 12.63 N ATOM 955 CA MET A 132 -15.260 -1.650 5.793 1.00 12.76 C ATOM 956 C MET A 132 -15.544 -1.834 4.291 1.00 12.70 C ATOM 957 O MET A 132 -15.714 -0.862 3.584 1.00 12.05 O ATOM 958 CB MET A 132 -13.802 -1.979 6.124 1.00 12.60 C ATOM 959 CG MET A 132 -12.762 -1.320 5.225 1.00 12.50 C ATOM 960 SD MET A 132 -11.114 -1.942 5.545 1.00 13.44 S ATOM 961 CE MET A 132 -11.122 -3.479 4.623 1.00 13.51 C ATOM 962 H MET A 132 -15.749 -3.182 7.267 1.00 0.00 H ATOM 963 N PHE A 133 -15.623 -3.082 3.825 1.00 12.72 N ATOM 964 CA PHE A 133 -15.958 -3.338 2.414 1.00 13.59 C ATOM 965 C PHE A 133 -17.345 -2.817 2.039 1.00 13.75 C ATOM 966 O PHE A 133 -17.490 -2.091 1.054 1.00 13.93 O ATOM 967 CB PHE A 133 -15.826 -4.826 2.053 1.00 14.05 C ATOM 968 CG PHE A 133 -14.408 -5.332 2.118 1.00 14.66 C ATOM 969 CD1 PHE A 133 -13.383 -4.654 1.458 1.00 15.64 C ATOM 970 CD2 PHE A 133 -14.090 -6.455 2.888 1.00 15.61 C ATOM 971 CE1 PHE A 133 -12.076 -5.112 1.528 1.00 15.69 C ATOM 972 CE2 PHE A 133 -12.786 -6.922 2.953 1.00 15.57 C ATOM 973 CZ PHE A 133 -11.783 -6.242 2.285 1.00 16.19 C ATOM 974 H PHE A 133 -15.446 -3.882 4.465 1.00 0.00 H ATOM 975 N THR A 134 -18.340 -3.154 2.851 1.00 14.13 N ATOM 976 CA THR A 134 -19.713 -2.746 2.604 1.00 15.19 C ATOM 977 C THR A 134 -19.787 -1.221 2.514 1.00 14.00 C ATOM 978 O THR A 134 -20.413 -0.692 1.609 1.00 14.53 O ATOM 979 CB THR A 134 -20.644 -3.312 3.712 1.00 15.69 C ATOM 980 OG1 THR A 134 -20.646 -4.748 3.635 1.00 16.79 O ATOM 981 CG2 THR A 134 -22.046 -2.795 3.564 1.00 16.96 C ATOM 982 HG1 THR A 134 -19.725 -5.086 3.768 1.00 0.00 H ATOM 983 H THR A 134 -18.130 -3.729 3.692 1.00 0.00 H ATOM 984 N ASN A 135 -19.130 -0.508 3.431 1.00 13.36 N ATOM 985 CA ASN A 135 -19.178 0.961 3.398 1.00 13.05 C ATOM 986 C ASN A 135 -18.675 1.528 2.073 1.00 13.07 C ATOM 987 O ASN A 135 -19.228 2.508 1.562 1.00 13.23 O ATOM 988 CB ASN A 135 -18.348 1.609 4.477 1.00 13.02 C ATOM 989 CG ASN A 135 -18.909 1.419 5.874 1.00 12.57 C ATOM 990 OD1 ASN A 135 -20.096 1.094 6.079 1.00 13.73 O ATOM 991 ND2 ASN A 135 -18.028 1.582 6.856 1.00 12.06 N ATOM 992 HD22 ASN A 135 -17.049 1.854 6.636 1.00 0.00 H ATOM 993 HD21 ASN A 135 -18.318 1.438 7.844 1.00 0.00 H ATOM 994 H ASN A 135 -18.583 -0.993 4.171 1.00 0.00 H ATOM 995 N CYS A 136 -17.612 0.914 1.550 1.00 12.38 N ATOM 996 CA CYS A 136 -17.047 1.296 0.264 1.00 13.32 C ATOM 997 C CYS A 136 -18.032 1.118 -0.892 1.00 13.76 C ATOM 998 O CYS A 136 -18.170 2.001 -1.736 1.00 13.26 O ATOM 999 CB CYS A 136 -15.776 0.517 -0.008 1.00 13.22 C ATOM 1000 SG CYS A 136 -14.829 1.158 -1.421 1.00 13.97 S ATOM 1001 H CYS A 136 -17.172 0.135 2.080 1.00 0.00 H ATOM 1002 N TYR A 137 -18.714 -0.019 -0.897 1.00 14.01 N ATOM 1003 CA TYR A 137 -19.665 -0.339 -1.956 1.00 14.51 C ATOM 1004 C TYR A 137 -20.924 0.525 -1.849 1.00 15.78 C ATOM 1005 O TYR A 137 -21.504 0.881 -2.867 1.00 16.96 O ATOM 1006 CB TYR A 137 -20.003 -1.830 -1.944 1.00 14.15 C ATOM 1007 CG TYR A 137 -18.794 -2.745 -2.033 1.00 14.30 C ATOM 1008 CD1 TYR A 137 -17.702 -2.425 -2.847 1.00 15.10 C ATOM 1009 CD2 TYR A 137 -18.716 -3.911 -1.277 1.00 13.94 C ATOM 1010 CE1 TYR A 137 -16.593 -3.246 -2.924 1.00 14.19 C ATOM 1011 CE2 TYR A 137 -17.627 -4.752 -1.378 1.00 14.05 C ATOM 1012 CZ TYR A 137 -16.562 -4.401 -2.189 1.00 14.37 C ATOM 1013 OH TYR A 137 -15.445 -5.211 -2.292 1.00 15.14 O ATOM 1014 HH TYR A 137 -15.714 -6.099 -2.637 1.00 0.00 H ATOM 1015 H TYR A 137 -18.567 -0.701 -0.126 1.00 0.00 H ATOM 1016 N ILE A 138 -21.323 0.876 -0.628 1.00 16.01 N ATOM 1017 CA ILE A 138 -22.448 1.786 -0.399 1.00 16.03 C ATOM 1018 C ILE A 138 -22.156 3.212 -0.856 1.00 16.04 C ATOM 1019 O ILE A 138 -22.998 3.847 -1.499 1.00 15.17 O ATOM 1020 CB ILE A 138 -22.833 1.812 1.096 1.00 16.51 C ATOM 1021 CG1 ILE A 138 -23.478 0.496 1.476 1.00 17.46 C ATOM 1022 CG2 ILE A 138 -23.732 2.997 1.431 1.00 17.10 C ATOM 1023 CD1 ILE A 138 -23.519 0.262 2.968 1.00 18.14 C ATOM 1024 H ILE A 138 -20.817 0.489 0.194 1.00 0.00 H ATOM 1025 N TYR A 139 -20.994 3.741 -0.485 1.00 14.71 N ATOM 1026 CA TYR A 139 -20.672 5.140 -0.755 1.00 15.40 C ATOM 1027 C TYR A 139 -20.330 5.406 -2.229 1.00 16.37 C ATOM 1028 O TYR A 139 -20.625 6.494 -2.774 1.00 16.15 O ATOM 1029 CB TYR A 139 -19.530 5.601 0.186 1.00 14.91 C ATOM 1030 CG TYR A 139 -19.136 7.038 -0.028 1.00 15.37 C ATOM 1031 CD1 TYR A 139 -19.947 8.079 0.420 1.00 15.22 C ATOM 1032 CD2 TYR A 139 -18.012 7.361 -0.753 1.00 16.09 C ATOM 1033 CE1 TYR A 139 -19.602 9.399 0.187 1.00 15.95 C ATOM 1034 CE2 TYR A 139 -17.657 8.690 -0.998 1.00 16.57 C ATOM 1035 CZ TYR A 139 -18.473 9.706 -0.529 1.00 16.22 C ATOM 1036 OH TYR A 139 -18.153 11.026 -0.764 1.00 18.26 O ATOM 1037 HH TYR A 139 -18.843 11.609 -0.359 1.00 0.00 H ATOM 1038 H TYR A 139 -20.299 3.145 0.008 1.00 0.00 H ATOM 1039 N ASN A 140 -19.741 4.419 -2.888 1.00 16.57 N ATOM 1040 CA ASN A 140 -19.184 4.615 -4.233 1.00 18.49 C ATOM 1041 C ASN A 140 -20.009 3.861 -5.269 1.00 20.87 C ATOM 1042 O ASN A 140 -21.003 3.248 -4.933 1.00 23.70 O ATOM 1043 CB ASN A 140 -17.730 4.154 -4.236 1.00 17.36 C ATOM 1044 CG ASN A 140 -16.881 4.932 -3.251 1.00 16.15 C ATOM 1045 OD1 ASN A 140 -16.588 6.106 -3.468 1.00 16.40 O ATOM 1046 ND2 ASN A 140 -16.508 4.301 -2.145 1.00 15.34 N ATOM 1047 HD22 ASN A 140 -16.776 3.307 -1.998 1.00 0.00 H ATOM 1048 HD21 ASN A 140 -15.948 4.801 -1.425 1.00 0.00 H ATOM 1049 H ASN A 140 -19.671 3.482 -2.442 1.00 0.00 H ATOM 1050 N LYS A 141 -19.591 3.905 -6.518 1.00 23.61 N ATOM 1051 CA LYS A 141 -20.314 3.278 -7.613 1.00 25.69 C ATOM 1052 C LYS A 141 -19.540 2.087 -8.170 1.00 24.38 C ATOM 1053 O LYS A 141 -18.302 2.102 -8.173 1.00 21.38 O ATOM 1054 CB LYS A 141 -20.545 4.313 -8.719 1.00 29.97 C ATOM 1055 CG LYS A 141 -21.487 5.433 -8.306 1.00 34.18 C ATOM 1056 CD LYS A 141 -21.530 6.562 -9.337 1.00 39.46 C ATOM 1057 CE LYS A 141 -22.091 7.858 -8.742 1.00 42.76 C ATOM 1058 NZ LYS A 141 -23.325 7.645 -7.923 1.00 44.56 N ATOM 1059 HZ1 LYS A 141 -24.067 7.225 -8.519 1.00 0.00 H ATOM 1060 HZ2 LYS A 141 -23.109 7.004 -7.133 1.00 0.00 H ATOM 1061 HZ3 LYS A 141 -23.654 8.558 -7.550 1.00 0.00 H ATOM 1062 H LYS A 141 -18.707 4.410 -6.730 1.00 0.00 H ATOM 1063 N PRO A 142 -20.253 1.056 -8.662 1.00 23.64 N ATOM 1064 CA PRO A 142 -19.515 -0.052 -9.282 1.00 24.06 C ATOM 1065 C PRO A 142 -18.626 0.454 -10.405 1.00 22.94 C ATOM 1066 O PRO A 142 -19.017 1.357 -11.152 1.00 23.74 O ATOM 1067 CB PRO A 142 -20.623 -0.966 -9.830 1.00 24.26 C ATOM 1068 CG PRO A 142 -21.844 -0.595 -9.059 1.00 24.74 C ATOM 1069 CD PRO A 142 -21.714 0.869 -8.774 1.00 24.77 C ATOM 1070 N GLY A 143 -17.421 -0.076 -10.488 1.00 22.60 N ATOM 1071 CA GLY A 143 -16.460 0.376 -11.482 1.00 23.24 C ATOM 1072 C GLY A 143 -15.576 1.551 -11.089 1.00 23.33 C ATOM 1073 O GLY A 143 -14.583 1.791 -11.765 1.00 23.56 O ATOM 1074 H GLY A 143 -17.152 -0.834 -9.828 1.00 0.00 H ATOM 1075 N ASP A 144 -15.931 2.303 -10.039 1.00 21.84 N ATOM 1076 CA ASP A 144 -15.028 3.318 -9.489 1.00 20.27 C ATOM 1077 C ASP A 144 -13.696 2.694 -9.102 1.00 19.17 C ATOM 1078 O ASP A 144 -13.671 1.561 -8.610 1.00 17.86 O ATOM 1079 CB ASP A 144 -15.622 3.977 -8.240 1.00 21.16 C ATOM 1080 CG ASP A 144 -16.687 4.999 -8.555 1.00 22.35 C ATOM 1081 OD1 ASP A 144 -16.906 5.342 -9.747 1.00 22.36 O ATOM 1082 OD2 ASP A 144 -17.313 5.464 -7.581 1.00 21.90 O ATOM 1083 H ASP A 144 -16.866 2.164 -9.605 1.00 0.00 H ATOM 1084 N ASP A 145 -12.598 3.428 -9.305 1.00 17.47 N ATOM 1085 CA ASP A 145 -11.262 2.934 -8.907 1.00 16.75 C ATOM 1086 C ASP A 145 -11.225 2.442 -7.447 1.00 15.52 C ATOM 1087 O ASP A 145 -10.677 1.377 -7.166 1.00 15.24 O ATOM 1088 CB ASP A 145 -10.205 4.019 -9.084 1.00 17.25 C ATOM 1089 CG ASP A 145 -9.633 4.080 -10.482 1.00 18.14 C ATOM 1090 OD1 ASP A 145 -9.837 3.146 -11.277 1.00 18.81 O ATOM 1091 OD2 ASP A 145 -8.901 5.072 -10.744 1.00 19.60 O ATOM 1092 H ASP A 145 -12.684 4.364 -9.751 1.00 0.00 H ATOM 1093 N ILE A 146 -11.811 3.202 -6.522 1.00 15.69 N ATOM 1094 CA ILE A 146 -11.846 2.759 -5.095 1.00 15.60 C ATOM 1095 C ILE A 146 -12.570 1.420 -4.900 1.00 15.23 C ATOM 1096 O ILE A 146 -12.180 0.613 -4.039 1.00 14.33 O ATOM 1097 CB ILE A 146 -12.412 3.854 -4.160 1.00 15.70 C ATOM 1098 CG1 ILE A 146 -12.133 3.539 -2.679 1.00 16.50 C ATOM 1099 CG2 ILE A 146 -13.905 4.065 -4.366 1.00 15.63 C ATOM 1100 CD1 ILE A 146 -10.671 3.523 -2.277 1.00 16.40 C ATOM 1101 H ILE A 146 -12.246 4.107 -6.794 1.00 0.00 H ATOM 1102 N VAL A 147 -13.597 1.163 -5.718 1.00 14.47 N ATOM 1103 CA VAL A 147 -14.373 -0.074 -5.617 1.00 14.41 C ATOM 1104 C VAL A 147 -13.594 -1.258 -6.199 1.00 14.52 C ATOM 1105 O VAL A 147 -13.636 -2.373 -5.647 1.00 14.02 O ATOM 1106 CB VAL A 147 -15.756 0.071 -6.294 1.00 14.01 C ATOM 1107 CG1 VAL A 147 -16.446 -1.290 -6.453 1.00 14.33 C ATOM 1108 CG2 VAL A 147 -16.621 1.039 -5.496 1.00 14.34 C ATOM 1109 H VAL A 147 -13.851 1.861 -6.446 1.00 0.00 H ATOM 1110 N LEU A 148 -12.869 -1.010 -7.290 1.00 15.16 N ATOM 1111 CA LEU A 148 -11.958 -2.002 -7.844 1.00 15.85 C ATOM 1112 C LEU A 148 -10.904 -2.407 -6.809 1.00 15.45 C ATOM 1113 O LEU A 148 -10.603 -3.600 -6.649 1.00 14.40 O ATOM 1114 CB LEU A 148 -11.277 -1.480 -9.110 1.00 17.46 C ATOM 1115 CG LEU A 148 -12.199 -1.091 -10.273 1.00 19.63 C ATOM 1116 CD1 LEU A 148 -11.388 -0.602 -11.462 1.00 20.34 C ATOM 1117 CD2 LEU A 148 -13.093 -2.262 -10.663 1.00 20.63 C ATOM 1118 H LEU A 148 -12.956 -0.085 -7.757 1.00 0.00 H ATOM 1119 N MET A 149 -10.353 -1.428 -6.099 1.00 15.06 N ATOM 1120 CA MET A 149 -9.424 -1.721 -4.978 1.00 14.77 C ATOM 1121 C MET A 149 -10.062 -2.593 -3.889 1.00 14.65 C ATOM 1122 O MET A 149 -9.493 -3.621 -3.456 1.00 13.57 O ATOM 1123 CB MET A 149 -8.926 -0.418 -4.333 1.00 14.75 C ATOM 1124 CG MET A 149 -8.016 0.412 -5.212 1.00 15.42 C ATOM 1125 SD MET A 149 -6.966 1.456 -4.189 1.00 16.19 S ATOM 1126 CE MET A 149 -5.998 2.354 -5.399 1.00 15.75 C ATOM 1127 H MET A 149 -10.576 -0.439 -6.332 1.00 0.00 H ATOM 1128 N ALA A 150 -11.230 -2.164 -3.430 1.00 14.20 N ATOM 1129 CA ALA A 150 -11.963 -2.904 -2.376 1.00 14.69 C ATOM 1130 C ALA A 150 -12.262 -4.344 -2.799 1.00 15.21 C ATOM 1131 O ALA A 150 -12.092 -5.290 -2.009 1.00 15.37 O ATOM 1132 CB ALA A 150 -13.262 -2.169 -2.020 1.00 14.09 C ATOM 1133 H ALA A 150 -11.640 -1.290 -3.818 1.00 0.00 H ATOM 1134 N GLU A 151 -12.719 -4.504 -4.034 1.00 15.32 N ATOM 1135 CA GLU A 151 -13.011 -5.819 -4.598 1.00 16.72 C ATOM 1136 C GLU A 151 -11.768 -6.708 -4.651 1.00 15.56 C ATOM 1137 O GLU A 151 -11.831 -7.870 -4.270 1.00 16.17 O ATOM 1138 CB GLU A 151 -13.645 -5.702 -5.998 1.00 18.25 C ATOM 1139 CG GLU A 151 -15.100 -5.260 -5.986 1.00 20.39 C ATOM 1140 CD GLU A 151 -15.658 -4.954 -7.371 1.00 23.31 C ATOM 1141 OE1 GLU A 151 -14.886 -4.727 -8.331 1.00 28.30 O ATOM 1142 OE2 GLU A 151 -16.893 -4.912 -7.499 1.00 24.63 O ATOM 1143 H GLU A 151 -12.875 -3.661 -4.623 1.00 0.00 H ATOM 1144 N ALA A 152 -10.632 -6.156 -5.085 1.00 14.99 N ATOM 1145 CA ALA A 152 -9.376 -6.903 -5.070 1.00 15.82 C ATOM 1146 C ALA A 152 -8.980 -7.290 -3.649 1.00 15.29 C ATOM 1147 O ALA A 152 -8.569 -8.425 -3.410 1.00 15.92 O ATOM 1148 CB ALA A 152 -8.247 -6.101 -5.704 1.00 16.66 C ATOM 1149 H ALA A 152 -10.641 -5.178 -5.440 1.00 0.00 H ATOM 1150 N LEU A 153 -9.080 -6.357 -2.708 1.00 14.56 N ATOM 1151 CA LEU A 153 -8.737 -6.688 -1.331 1.00 15.07 C ATOM 1152 C LEU A 153 -9.675 -7.725 -0.758 1.00 14.37 C ATOM 1153 O LEU A 153 -9.250 -8.614 -0.024 1.00 14.94 O ATOM 1154 CB LEU A 153 -8.774 -5.469 -0.430 1.00 15.43 C ATOM 1155 CG LEU A 153 -7.658 -4.464 -0.620 1.00 16.18 C ATOM 1156 CD1 LEU A 153 -7.920 -3.326 0.363 1.00 16.96 C ATOM 1157 CD2 LEU A 153 -6.280 -5.079 -0.428 1.00 16.72 C ATOM 1158 H LEU A 153 -9.400 -5.398 -2.952 1.00 0.00 H ATOM 1159 N GLU A 154 -10.957 -7.601 -1.092 1.00 15.06 N ATOM 1160 CA GLU A 154 -11.959 -8.516 -0.559 1.00 16.20 C ATOM 1161 C GLU A 154 -11.721 -9.917 -1.124 1.00 16.93 C ATOM 1162 O GLU A 154 -11.878 -10.913 -0.419 1.00 16.58 O ATOM 1163 CB GLU A 154 -13.377 -8.029 -0.878 1.00 17.11 C ATOM 1164 CG GLU A 154 -14.456 -8.918 -0.289 1.00 18.54 C ATOM 1165 CD GLU A 154 -15.879 -8.466 -0.568 1.00 20.45 C ATOM 1166 OE1 GLU A 154 -16.161 -7.651 -1.475 1.00 19.60 O ATOM 1167 OE2 GLU A 154 -16.750 -8.996 0.134 1.00 24.24 O ATOM 1168 H GLU A 154 -11.248 -6.842 -1.741 1.00 0.00 H ATOM 1169 N LYS A 155 -11.347 -10.008 -2.391 1.00 18.01 N ATOM 1170 CA LYS A 155 -11.059 -11.321 -2.984 1.00 20.07 C ATOM 1171 C LYS A 155 -9.926 -12.020 -2.239 1.00 19.60 C ATOM 1172 O LYS A 155 -10.061 -13.210 -1.889 1.00 18.59 O ATOM 1173 CB LYS A 155 -10.775 -11.179 -4.488 1.00 22.00 C ATOM 1174 CG LYS A 155 -10.355 -12.459 -5.195 1.00 25.89 C ATOM 1175 CD LYS A 155 -10.350 -12.309 -6.710 1.00 27.90 C ATOM 1176 CE LYS A 155 -9.716 -13.543 -7.337 1.00 30.54 C ATOM 1177 NZ LYS A 155 -9.776 -13.578 -8.830 1.00 32.93 N ATOM 1178 HZ1 LYS A 155 -10.770 -13.558 -9.136 1.00 0.00 H ATOM 1179 HZ2 LYS A 155 -9.277 -12.751 -9.215 1.00 0.00 H ATOM 1180 HZ3 LYS A 155 -9.323 -14.449 -9.174 1.00 0.00 H ATOM 1181 H LYS A 155 -11.257 -9.147 -2.968 1.00 0.00 H ATOM 1182 N LEU A 156 -8.852 -11.271 -1.958 1.00 18.60 N ATOM 1183 CA LEU A 156 -7.692 -11.766 -1.225 1.00 18.91 C ATOM 1184 C LEU A 156 -8.073 -12.109 0.233 1.00 19.32 C ATOM 1185 O LEU A 156 -7.722 -13.169 0.754 1.00 18.77 O ATOM 1186 CB LEU A 156 -6.572 -10.723 -1.260 1.00 18.84 C ATOM 1187 CG LEU A 156 -5.224 -11.061 -0.644 1.00 19.87 C ATOM 1188 CD1 LEU A 156 -4.625 -12.311 -1.274 1.00 20.65 C ATOM 1189 CD2 LEU A 156 -4.262 -9.886 -0.748 1.00 19.85 C ATOM 1190 H LEU A 156 -8.845 -10.282 -2.280 1.00 0.00 H ATOM 1191 N PHE A 157 -8.812 -11.197 0.870 1.00 17.99 N ATOM 1192 CA PHE A 157 -9.374 -11.448 2.203 1.00 17.33 C ATOM 1193 C PHE A 157 -10.071 -12.808 2.274 1.00 18.40 C ATOM 1194 O PHE A 157 -9.719 -13.624 3.122 1.00 17.66 O ATOM 1195 CB PHE A 157 -10.334 -10.318 2.573 1.00 16.89 C ATOM 1196 CG PHE A 157 -11.082 -10.531 3.851 1.00 16.42 C ATOM 1197 CD1 PHE A 157 -10.423 -10.433 5.067 1.00 15.87 C ATOM 1198 CD2 PHE A 157 -12.442 -10.801 3.838 1.00 16.72 C ATOM 1199 CE1 PHE A 157 -11.105 -10.610 6.246 1.00 16.18 C ATOM 1200 CE2 PHE A 157 -13.131 -10.984 5.023 1.00 16.87 C ATOM 1201 CZ PHE A 157 -12.461 -10.913 6.224 1.00 15.99 C ATOM 1202 H PHE A 157 -8.995 -10.283 0.409 1.00 0.00 H ATOM 1203 N LEU A 158 -11.012 -13.053 1.366 1.00 19.88 N ATOM 1204 CA LEU A 158 -11.812 -14.288 1.373 1.00 22.54 C ATOM 1205 C LEU A 158 -10.958 -15.554 1.169 1.00 23.68 C ATOM 1206 O LEU A 158 -11.211 -16.602 1.798 1.00 23.89 O ATOM 1207 CB LEU A 158 -12.963 -14.201 0.369 1.00 23.22 C ATOM 1208 CG LEU A 158 -14.051 -13.141 0.643 1.00 24.87 C ATOM 1209 CD1 LEU A 158 -15.076 -13.147 -0.480 1.00 26.81 C ATOM 1210 CD2 LEU A 158 -14.734 -13.328 1.991 1.00 26.48 C ATOM 1211 H LEU A 158 -11.189 -12.346 0.624 1.00 0.00 H ATOM 1212 N GLN A 159 -9.924 -15.445 0.336 1.00 24.48 N ATOM 1213 CA GLN A 159 -8.965 -16.524 0.148 1.00 26.20 C ATOM 1214 C GLN A 159 -8.203 -16.849 1.434 1.00 24.71 C ATOM 1215 O GLN A 159 -8.011 -18.027 1.770 1.00 24.75 O ATOM 1216 CB GLN A 159 -7.964 -16.162 -0.952 1.00 28.13 C ATOM 1217 CG GLN A 159 -6.998 -17.275 -1.333 1.00 32.36 C ATOM 1218 CD GLN A 159 -5.923 -16.795 -2.301 1.00 35.60 C ATOM 1219 OE1 GLN A 159 -4.764 -16.601 -1.919 1.00 41.00 O ATOM 1220 NE2 GLN A 159 -6.308 -16.573 -3.551 1.00 37.43 N ATOM 1221 HE22 GLN A 159 -7.294 -16.750 -3.831 1.00 0.00 H ATOM 1222 HE21 GLN A 159 -5.624 -16.222 -4.251 1.00 0.00 H ATOM 1223 H GLN A 159 -9.798 -14.561 -0.197 1.00 0.00 H ATOM 1224 N LYS A 160 -7.759 -15.813 2.139 1.00 23.24 N ATOM 1225 CA LYS A 160 -7.039 -15.990 3.399 1.00 23.56 C ATOM 1226 C LYS A 160 -7.960 -16.509 4.495 1.00 24.44 C ATOM 1227 O LYS A 160 -7.584 -17.408 5.249 1.00 23.23 O ATOM 1228 CB LYS A 160 -6.352 -14.685 3.838 1.00 24.62 C ATOM 1229 CG LYS A 160 -5.273 -14.192 2.882 1.00 26.01 C ATOM 1230 CD LYS A 160 -4.065 -15.110 2.835 1.00 28.23 C ATOM 1231 CE LYS A 160 -3.702 -15.462 1.407 1.00 31.39 C ATOM 1232 NZ LYS A 160 -2.436 -16.261 1.345 1.00 31.89 N ATOM 1233 HZ1 LYS A 160 -1.658 -15.708 1.757 1.00 0.00 H ATOM 1234 HZ2 LYS A 160 -2.558 -17.143 1.882 1.00 0.00 H ATOM 1235 HZ3 LYS A 160 -2.217 -16.485 0.353 1.00 0.00 H ATOM 1236 H LYS A 160 -7.929 -14.850 1.784 1.00 0.00 H ATOM 1237 N ILE A 161 -9.175 -15.953 4.547 1.00 23.35 N ATOM 1238 CA ILE A 161 -10.242 -16.414 5.455 1.00 25.01 C ATOM 1239 C ILE A 161 -10.573 -17.897 5.233 1.00 24.17 C ATOM 1240 O ILE A 161 -10.862 -18.633 6.182 1.00 20.98 O ATOM 1241 CB ILE A 161 -11.504 -15.488 5.318 1.00 27.07 C ATOM 1242 CG1 ILE A 161 -11.708 -14.681 6.589 1.00 28.80 C ATOM 1243 CG2 ILE A 161 -12.789 -16.248 4.991 1.00 29.00 C ATOM 1244 CD1 ILE A 161 -10.541 -13.820 6.957 1.00 28.54 C ATOM 1245 H ILE A 161 -9.378 -15.153 3.914 1.00 0.00 H ATOM 1246 N ASN A 162 -10.513 -18.322 3.980 1.00 23.55 N ATOM 1247 CA ASN A 162 -10.724 -19.707 3.633 1.00 24.13 C ATOM 1248 C ASN A 162 -9.797 -20.689 4.346 1.00 23.95 C ATOM 1249 O ASN A 162 -10.187 -21.838 4.566 1.00 24.31 O ATOM 1250 CB ASN A 162 -10.552 -19.909 2.135 1.00 25.63 C ATOM 1251 CG ASN A 162 -11.022 -21.256 1.691 1.00 26.21 C ATOM 1252 OD1 ASN A 162 -10.236 -22.070 1.196 1.00 27.47 O ATOM 1253 ND2 ASN A 162 -12.309 -21.513 1.871 1.00 26.93 N ATOM 1254 HD22 ASN A 162 -12.929 -20.792 2.293 1.00 0.00 H ATOM 1255 HD21 ASN A 162 -12.699 -22.435 1.591 1.00 0.00 H ATOM 1256 H ASN A 162 -10.308 -17.638 3.224 1.00 0.00 H ATOM 1257 N GLU A 163 -8.578 -20.268 4.674 1.00 23.85 N ATOM 1258 CA GLU A 163 -7.635 -21.155 5.371 1.00 25.83 C ATOM 1259 C GLU A 163 -7.551 -20.890 6.878 1.00 22.94 C ATOM 1260 O GLU A 163 -6.597 -21.286 7.518 1.00 20.65 O ATOM 1261 CB GLU A 163 -6.251 -21.122 4.694 1.00 28.79 C ATOM 1262 CG GLU A 163 -6.197 -21.755 3.289 1.00 32.21 C ATOM 1263 CD GLU A 163 -6.824 -23.152 3.190 1.00 36.00 C ATOM 1264 OE1 GLU A 163 -6.594 -23.989 4.093 1.00 39.31 O ATOM 1265 OE2 GLU A 163 -7.567 -23.423 2.211 1.00 40.08 O ATOM 1266 H GLU A 163 -8.288 -19.298 4.434 1.00 0.00 H ATOM 1267 N LEU A 164 -8.586 -20.255 7.439 1.00 21.45 N ATOM 1268 CA LEU A 164 -8.658 -19.980 8.874 1.00 21.68 C ATOM 1269 C LEU A 164 -8.492 -21.303 9.644 1.00 21.65 C ATOM 1270 O LEU A 164 -9.150 -22.290 9.318 1.00 21.00 O ATOM 1271 CB LEU A 164 -9.985 -19.303 9.246 1.00 22.87 C ATOM 1272 CG LEU A 164 -10.113 -18.652 10.630 1.00 24.94 C ATOM 1273 CD1 LEU A 164 -9.303 -17.365 10.731 1.00 25.87 C ATOM 1274 CD2 LEU A 164 -11.576 -18.389 10.948 1.00 25.21 C ATOM 1275 H LEU A 164 -9.371 -19.945 6.831 1.00 0.00 H ATOM 1276 N PRO A 165 -7.584 -21.326 10.634 1.00 22.48 N ATOM 1277 CA PRO A 165 -7.358 -22.591 11.346 1.00 24.81 C ATOM 1278 C PRO A 165 -8.472 -23.001 12.289 1.00 26.83 C ATOM 1279 O PRO A 165 -9.336 -22.200 12.663 1.00 25.10 O ATOM 1280 CB PRO A 165 -6.074 -22.328 12.146 1.00 24.44 C ATOM 1281 CG PRO A 165 -5.959 -20.846 12.242 1.00 24.94 C ATOM 1282 CD PRO A 165 -6.594 -20.300 11.010 1.00 23.48 C ATOM 1283 N THR A 166 -8.413 -24.256 12.696 1.00 28.07 N ATOM 1284 CA THR A 166 -9.364 -24.777 13.679 1.00 30.73 C ATOM 1285 C THR A 166 -9.182 -24.075 15.031 1.00 29.81 C ATOM 1286 O THR A 166 -10.172 -23.731 15.702 1.00 33.47 O ATOM 1287 CB THR A 166 -9.209 -26.304 13.828 1.00 30.77 C ATOM 1288 OG1 THR A 166 -7.957 -26.603 14.452 1.00 37.60 O ATOM 1289 CG2 THR A 166 -9.236 -26.979 12.454 1.00 30.37 C ATOM 1290 HG1 THR A 166 -7.862 -27.584 14.545 1.00 0.00 H ATOM 1291 H THR A 166 -7.679 -24.884 12.312 1.00 0.00 H TER 1292 THR A 166 HETATM 1293 O HOH 1 -5.699 -26.255 4.462 1.00 37.61 O HETATM 1294 O HOH 2 -15.866 3.668 2.283 1.00 15.62 O HETATM 1295 O HOH 3 -3.543 -18.885 4.379 1.00 32.38 O HETATM 1296 O HOH 4 -15.778 7.215 13.377 1.00 20.26 O HETATM 1297 O HOH 5 -17.863 2.004 13.442 1.00 30.28 O HETATM 1298 O HOH 6 6.579 -8.313 3.085 1.00 26.10 O HETATM 1299 O HOH 7 -14.127 -19.852 2.828 1.00 37.23 O HETATM 1300 O HOH 8 -15.582 3.366 6.438 1.00 15.32 O HETATM 1301 O HOH 9 -18.066 -3.477 12.138 1.00 25.66 O HETATM 1302 O HOH 10 -15.439 6.749 -6.146 1.00 36.74 O HETATM 1303 O HOH 11 -1.963 5.060 4.439 1.00 23.99 O HETATM 1304 O HOH 12 -6.729 -24.705 6.687 1.00 32.14 O HETATM 1305 O HOH 13 -21.132 -0.186 -5.315 1.00 26.42 O HETATM 1306 O HOH 14 0.672 -1.094 1.830 1.00 22.02 O HETATM 1307 O HOH 15 -17.023 -6.019 15.183 1.00 26.28 O HETATM 1308 O HOH 16 -0.900 0.222 -0.262 1.00 15.68 O HETATM 1309 O HOH 17 -10.806 -5.322 -8.749 1.00 22.50 O HETATM 1310 O HOH 18 -7.543 9.344 9.208 1.00 24.17 O HETATM 1311 O HOH 19 -14.519 1.586 3.411 1.00 15.83 O HETATM 1312 O HOH 20 -12.431 2.425 5.221 1.00 17.90 O HETATM 1313 O HOH 21 -7.144 -9.800 -5.303 1.00 18.51 O HETATM 1314 O HOH 22 -17.216 15.005 7.613 1.00 28.41 O HETATM 1315 O HOH 23 -9.694 4.007 15.094 1.00 19.56 O HETATM 1316 O HOH 24 -12.968 -6.282 -9.581 1.00 37.98 O HETATM 1317 O HOH 25 -23.392 13.352 9.894 1.00 23.73 O HETATM 1318 O HOH 26 -11.045 -24.485 0.111 1.00 40.37 O HETATM 1319 O HOH 27 -20.189 17.584 6.106 1.00 28.91 O HETATM 1320 O HOH 28 -10.509 4.213 4.918 1.00 12.44 O HETATM 1321 O HOH 29 -10.584 10.691 -5.215 1.00 23.16 O HETATM 1322 O HOH 30 -7.944 6.967 3.343 1.00 21.10 O HETATM 1323 O HOH 31 -9.667 -3.222 25.228 1.00 21.11 O HETATM 1324 O HOH 32 -13.163 4.326 10.220 1.00 15.32 O HETATM 1325 O HOH 33 -20.920 15.262 8.343 1.00 29.47 O HETATM 1326 O HOH 34 -17.211 -9.032 23.109 1.00 20.88 O HETATM 1327 O HOH 35 -2.409 -9.358 19.436 1.00 41.34 O HETATM 1328 O HOH 36 -14.889 -19.087 15.186 1.00 34.04 O HETATM 1329 O HOH 37 -9.704 3.544 21.554 1.00 31.31 O HETATM 1330 O HOH 38 -21.655 -3.211 8.385 1.00 41.81 O HETATM 1331 O HOH 39 -11.463 10.985 10.215 1.00 24.46 O HETATM 1332 O HOH 40 2.100 -1.934 -1.628 1.00 34.27 O HETATM 1333 O HOH 41 -17.823 11.938 -3.447 1.00 38.50 O HETATM 1334 O HOH 42 -12.602 9.360 12.268 1.00 17.88 O HETATM 1335 O HOH 43 -13.700 -18.161 19.256 1.00 22.72 O HETATM 1336 O HOH 44 -8.412 9.003 4.979 1.00 16.76 O HETATM 1337 O HOH 45 -16.490 -17.860 19.462 1.00 43.82 O HETATM 1338 O HOH 46 -16.564 16.132 14.766 1.00 24.84 O HETATM 1339 O HOH 47 -18.551 -5.021 -5.126 1.00 26.09 O HETATM 1340 O HOH 48 -7.502 -11.962 -9.624 1.00 35.14 O HETATM 1341 O HOH 49 -20.378 -6.483 9.196 1.00 31.05 O HETATM 1342 O HOH 50 -12.056 -17.218 17.216 1.00 20.29 O HETATM 1343 O HOH 51 -8.565 -9.851 19.896 1.00 33.05 O HETATM 1344 O HOH 52 -20.517 -9.130 8.614 1.00 29.09 O HETATM 1345 O HOH 53 0.109 -5.457 -4.290 1.00 24.55 O HETATM 1346 O HOH 54 -13.886 7.208 11.125 1.00 17.78 O HETATM 1347 O HOH 55 -8.251 7.409 -9.087 1.00 24.22 O HETATM 1348 O HOH 56 -2.651 -14.765 -2.814 1.00 37.36 O HETATM 1349 O HOH 57 -8.273 -3.372 23.046 1.00 23.56 O HETATM 1350 O HOH 58 -21.655 -1.428 6.407 1.00 31.35 O HETATM 1351 O HOH 59 -0.535 -8.888 -0.700 1.00 30.87 O HETATM 1352 O HOH 60 -16.152 -16.542 15.625 1.00 24.51 O HETATM 1353 O HOH 61 -6.992 -6.214 25.919 1.00 32.79 O HETATM 1354 O HOH 62 -12.867 5.971 -7.019 1.00 17.25 O HETATM 1355 O HOH 63 -18.649 -16.874 21.868 1.00 25.52 O HETATM 1356 O HOH 64 -21.271 -5.781 6.413 1.00 34.81 O HETATM 1357 O HOH 65 -12.764 6.129 -10.677 1.00 29.34 O HETATM 1358 O HOH 66 -26.510 13.298 9.441 1.00 32.67 O HETATM 1359 O HOH 67 -13.288 5.087 7.738 1.00 15.15 O HETATM 1360 O HOH 68 -11.659 21.949 -2.225 1.00 31.26 O HETATM 1361 O HOH 69 -18.071 8.542 -4.617 1.00 34.25 O HETATM 1362 O HOH 70 -7.667 -15.466 26.519 1.00 36.22 O HETATM 1363 O HOH 71 -23.519 5.207 -4.391 1.00 38.35 O HETATM 1364 O HOH 72 -16.658 2.489 18.182 1.00 40.17 O HETATM 1365 O HOH 73 -18.555 -7.356 2.437 1.00 32.56 O HETATM 1366 O HOH 74 -6.007 -10.845 19.025 1.00 35.68 O HETATM 1367 O HOH 75 -5.296 -13.601 20.055 1.00 38.23 O HETATM 1368 O HOH 76 -18.230 -18.314 24.025 1.00 33.06 O HETATM 1369 O HOH 77 -21.633 -10.232 4.992 1.00 44.64 O HETATM 1370 O HOH 78 -19.818 -2.842 -6.382 1.00 36.26 O HETATM 1371 O HOH 79 -20.352 -12.674 4.621 1.00 40.28 O HETATM 1372 O HOH 80 -2.497 7.131 2.429 1.00 34.48 O HETATM 1373 O HOH 81 -6.426 -12.614 -4.891 1.00 30.84 O HETATM 1374 O HOH 82 -9.931 10.098 12.814 1.00 34.30 O HETATM 1375 O HOH 83 -11.784 7.584 -8.849 1.00 30.81 O HETATM 1376 O HOH 84 -17.003 -5.446 18.063 1.00 30.88 O HETATM 1377 O HOH 85 -8.048 -9.101 -7.851 1.00 28.99 O HETATM 1378 O HOH 86 -6.600 -6.978 -8.994 1.00 41.11 O HETATM 1379 CAO EB A 0 -12.037 3.424 1.353 1.00 -0.04 C HETATM 1380 CAN EB A 0 -12.424 4.764 1.905 1.00 0.05 C HETATM 1381 NAK EB A 0 -12.538 5.665 0.720 1.00 -0.22 N HETATM 1382 CAL EB A 0 -13.652 5.910 -0.005 1.00 0.23 C HETATM 1383 OAM EB A 0 -14.729 5.309 0.154 1.00 -0.37 O HETATM 1384 CAJ EB A 0 -13.375 6.827 -0.963 1.00 0.06 C HETATM 1385 CAI EB A 0 -14.081 7.445 -1.933 1.00 -0.04 C HETATM 1386 CAH EB A 0 -13.461 8.387 -2.774 1.00 -0.05 C HETATM 1387 CAG EB A 0 -12.092 8.672 -2.581 1.00 -0.05 C HETATM 1388 CAD EB A 0 -11.381 8.013 -1.544 1.00 0.00 C HETATM 1389 CAE EB A 0 -12.067 7.115 -0.803 1.00 0.02 C HETATM 1390 CAF EB A 0 -11.550 6.419 0.223 1.00 0.08 C HETATM 1391 CAA EB A 0 -10.232 6.542 0.531 1.00 -0.04 C HETATM 1392 CAB EB A 0 -9.447 7.460 -0.180 1.00 -0.05 C HETATM 1393 CAC EB A 0 -10.003 8.188 -1.239 1.00 0.11 C HETATM 1394 SAP EB A 0 -8.923 9.284 -2.155 1.00 0.08 S HETATM 1395 OAQ EB A 0 -7.516 9.066 -1.601 1.00 -0.15 O HETATM 1396 OAR EB A 0 -9.395 10.719 -1.968 1.00 -0.15 O HETATM 1397 NAS EB A 0 -9.026 8.907 -3.709 1.00 -0.19 N HETATM 1398 CAT EB A 0 -8.937 7.644 -4.201 1.00 0.06 C HETATM 1399 CAU EB A 0 -8.182 6.601 -3.663 1.00 -0.05 C HETATM 1400 CAV EB A 0 -8.124 5.349 -4.291 1.00 -0.04 C HETATM 1401 CAW EB A 0 -8.816 5.124 -5.467 1.00 0.11 C HETATM 1402 FAZ EB A 0 -8.798 3.944 -6.079 1.00 -0.20 F HETATM 1403 CAX EB A 0 -9.559 6.157 -6.020 1.00 -0.04 C HETATM 1404 CAY EB A 0 -9.597 7.400 -5.396 1.00 -0.05 C HETATM 1405 H15 EB A 0 -10.160 8.203 -5.858 1.00 0.05 H HETATM 1406 H14 EB A 0 -10.111 5.995 -6.939 1.00 0.06 H HETATM 1407 H13 EB A 0 -7.533 4.553 -3.852 1.00 0.06 H HETATM 1408 H12 EB A 0 -7.631 6.762 -2.744 1.00 0.05 H HETATM 1409 H11 EB A 0 -9.165 9.652 -4.361 1.00 0.21 H HETATM 1410 H10 EB A 0 -8.408 7.607 0.090 1.00 0.06 H HETATM 1411 H9 EB A 0 -9.793 5.938 1.317 1.00 0.05 H HETATM 1412 H8 EB A 0 -11.588 9.388 -3.220 1.00 0.07 H HETATM 1413 H7 EB A 0 -14.024 8.885 -3.555 1.00 0.06 H HETATM 1414 H6 EB A 0 -15.132 7.214 -2.065 1.00 0.07 H HETATM 1415 H4 EB A 0 -11.652 5.133 2.596 1.00 0.06 H HETATM 1416 H5 EB A 0 -13.387 4.699 2.433 1.00 0.06 H HETATM 1417 H1 EB A 0 -11.934 2.704 2.178 1.00 0.03 H HETATM 1418 H2 EB A 0 -11.079 3.510 0.820 1.00 0.03 H HETATM 1419 H3 EB A 0 -12.814 3.076 0.657 1.00 0.03 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1379 1380 1417 1418 1419 CONECT 1380 1379 1381 1415 1416 CONECT 1381 1380 1382 1390 CONECT 1382 1381 1383 1384 CONECT 1383 1382 CONECT 1384 1382 1385 1389 CONECT 1385 1384 1386 1414 CONECT 1386 1385 1387 1413 CONECT 1387 1386 1388 1412 CONECT 1388 1387 1389 1393 CONECT 1389 1384 1388 1390 CONECT 1390 1381 1389 1391 CONECT 1391 1390 1392 1411 CONECT 1392 1391 1393 1410 CONECT 1393 1388 1392 1394 CONECT 1394 1393 1395 1396 1397 CONECT 1395 1394 CONECT 1396 1394 CONECT 1397 1394 1398 1409 CONECT 1398 1397 1399 1404 CONECT 1399 1398 1400 1408 CONECT 1400 1399 1401 1407 CONECT 1401 1400 1402 1403 CONECT 1402 1401 CONECT 1403 1401 1404 1406 CONECT 1404 1398 1403 1405 CONECT 1405 1404 CONECT 1406 1403 CONECT 1407 1400 CONECT 1408 1399 CONECT 1409 1397 CONECT 1410 1392 CONECT 1411 1391 CONECT 1412 1387 CONECT 1413 1386 CONECT 1414 1385 CONECT 1415 1380 CONECT 1416 1380 CONECT 1417 1379 CONECT 1418 1379 CONECT 1419 1379 MASTER 0 0 0 0 0 0 0 0 1418 1 44 10 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5cp5
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain-containing protein 4
Ligand Name
EB0
EC.Number
E.C.-.-.-.-
Resolution
1.79(Å)
Affinity (Kd/Ki/IC50)
Kd=1.234uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 1565-1579
Ligand Properties
Formula
C
1
9
H
1
5
FN
2
O
3
S
Molecular Weight
370.397
Exact Mass
370.079
No. of atoms
41
No. of bonds
44
Polar Surface Area
76.55
LOGP Value
3.26 (
Computed with XLOGP3
)
4.71 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
CCn1c2ccc(c3c2c(c1=O)ccc3)S(=O)(=O)Nc1ccc(cc1)F
InChI String
InChI=1S/C19H15FN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O60885
Entrez Gene ID
NCBI Entrez Gene ID:
23476
ASD
Information of known allosteric effects of PDB entries
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