Browse entries in the PDBbind-CN Database
HEADER 5H5S_COMPLEX COMPND 5H5S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 ASP TRP ARG ALA ALA ARG SER MET HIS GLU PHE SER ALA SEQRES 2 A 164 LYS ASP ILE ASP GLY HIS MET VAL ASN LEU ASP LYS TYR SEQRES 3 A 164 ARG GLY PHE VAL SER ILE VAL THR ASN VAL ALA SER GLN SEQRES 4 A 164 CSD GLY LYS THR GLU VAL ASN TYR THR GLN LEU VAL ASP SEQRES 5 A 164 LEU HIS ALA ARG TYR ALA GLU ARG GLY LEU ARG ILE LEU SEQRES 6 A 164 ALA PHE PRO SER ASN GLN PHE GLY LYS GLN GLU PRO GLY SEQRES 7 A 164 SER ASN GLU GLU ILE LYS GLU PHE ALA ALA GLY TYR ASN SEQRES 8 A 164 VAL LYS PHE ASP MET PHE SER LYS ILE GLU VAL ASN GLY SEQRES 9 A 164 ASP ASP ALA HIS PRO LEU TRP LYS TRP MET LYS ILE GLN SEQRES 10 A 164 PRO LYS GLY LYS GLY ILE LEU GLY ASN ALA ILE LYS TRP SEQRES 11 A 164 ASN PHE THR LYS PHE LEU ILE ASP LYS ASN GLY VAL VAL SEQRES 12 A 164 VAL LYS ARG TYR GLY PRO MET GLU GLU PRO LEU VAL ILE SEQRES 13 A 164 GLU LYS ASP LEU PRO HIS TYR PHE HET CSD A 73 9 HET VAL A 291 217 ATOM 1 N ASP A 34 -9.620 -14.668 13.992 1.00 35.88 N ATOM 2 CA ASP A 34 -9.720 -14.229 12.568 1.00 34.78 C ATOM 3 C ASP A 34 -8.461 -13.480 12.145 1.00 31.50 C ATOM 4 O ASP A 34 -7.974 -13.706 11.036 1.00 31.56 O ATOM 5 CB ASP A 34 -10.991 -13.402 12.295 1.00 36.61 C ATOM 6 CG ASP A 34 -11.046 -12.102 13.087 1.00 37.20 C ATOM 7 OD1 ASP A 34 -10.515 -12.061 14.231 1.00 37.51 O ATOM 8 OD2 ASP A 34 -11.632 -11.124 12.565 1.00 38.90 O ATOM 9 HN3 ASP A 34 -9.503 -13.835 14.603 1.00 0.00 H ATOM 10 HN2 ASP A 34 -8.800 -15.298 14.102 1.00 0.00 H ATOM 11 HN1 ASP A 34 -10.488 -15.176 14.259 1.00 0.00 H ATOM 12 N TRP A 35 -7.925 -12.614 13.011 1.00 28.31 N ATOM 13 CA TRP A 35 -6.615 -11.985 12.746 1.00 25.96 C ATOM 14 C TRP A 35 -5.507 -13.040 12.658 1.00 25.31 C ATOM 15 O TRP A 35 -4.510 -12.824 11.979 1.00 24.49 O ATOM 16 CB TRP A 35 -6.236 -10.906 13.781 1.00 24.30 C ATOM 17 CG TRP A 35 -6.092 -11.401 15.195 1.00 24.07 C ATOM 18 CD1 TRP A 35 -7.038 -11.332 16.181 1.00 24.45 C ATOM 19 CD2 TRP A 35 -4.955 -12.045 15.782 1.00 23.37 C ATOM 20 NE1 TRP A 35 -6.563 -11.888 17.335 1.00 24.12 N ATOM 21 CE2 TRP A 35 -5.285 -12.329 17.123 1.00 23.63 C ATOM 22 CE3 TRP A 35 -3.683 -12.402 15.312 1.00 22.97 C ATOM 23 CZ2 TRP A 35 -4.399 -12.967 17.994 1.00 23.56 C ATOM 24 CZ3 TRP A 35 -2.788 -13.032 16.200 1.00 22.72 C ATOM 25 CH2 TRP A 35 -3.158 -13.301 17.517 1.00 22.96 C ATOM 26 HE1 TRP A 35 -7.088 -11.964 18.230 1.00 0.00 H ATOM 27 H TRP A 35 -8.438 -12.380 13.885 1.00 0.00 H ATOM 28 N ARG A 36 -5.678 -14.166 13.354 1.00 25.99 N ATOM 29 CA ARG A 36 -4.734 -15.295 13.256 1.00 26.26 C ATOM 30 C ARG A 36 -4.632 -15.885 11.846 1.00 26.24 C ATOM 31 O ARG A 36 -3.567 -16.364 11.441 1.00 26.83 O ATOM 32 CB ARG A 36 -5.095 -16.393 14.260 1.00 27.65 C ATOM 33 CG ARG A 36 -4.703 -16.061 15.692 1.00 27.63 C ATOM 34 CD ARG A 36 -5.012 -17.214 16.634 1.00 29.26 C ATOM 35 NE ARG A 36 -4.747 -16.852 18.025 1.00 29.59 N ATOM 36 CZ ARG A 36 -5.541 -16.081 18.774 1.00 30.17 C ATOM 37 NH1 ARG A 36 -5.189 -15.796 20.026 1.00 30.43 N ATOM 38 NH2 ARG A 36 -6.674 -15.567 18.287 1.00 30.29 N ATOM 39 HE ARG A 36 -3.879 -17.221 18.463 1.00 0.00 H ATOM 40 HH12 ARG A 36 -5.802 -15.197 20.615 1.00 0.00 H ATOM 41 HH11 ARG A 36 -4.301 -16.173 20.415 1.00 0.00 H ATOM 42 HH22 ARG A 36 -7.275 -14.970 18.890 1.00 0.00 H ATOM 43 HH21 ARG A 36 -6.955 -15.764 17.305 1.00 0.00 H ATOM 44 H ARG A 36 -6.501 -14.250 13.984 1.00 0.00 H ATOM 45 N ALA A 37 -5.733 -15.851 11.112 1.00 26.09 N ATOM 46 CA ALA A 37 -5.791 -16.401 9.768 1.00 26.20 C ATOM 47 C ALA A 37 -5.134 -15.535 8.703 1.00 24.79 C ATOM 48 O ALA A 37 -4.976 -16.001 7.579 1.00 24.94 O ATOM 49 CB ALA A 37 -7.234 -16.692 9.386 1.00 27.11 C ATOM 50 H ALA A 37 -6.588 -15.415 11.512 1.00 0.00 H ATOM 51 N ALA A 38 -4.756 -14.288 9.029 1.00 23.14 N ATOM 52 CA ALA A 38 -4.090 -13.422 8.067 1.00 22.04 C ATOM 53 C ALA A 38 -2.687 -13.923 7.752 1.00 21.62 C ATOM 54 O ALA A 38 -2.039 -14.561 8.585 1.00 21.23 O ATOM 55 CB ALA A 38 -4.038 -11.980 8.563 1.00 21.07 C ATOM 56 H ALA A 38 -4.943 -13.934 9.989 1.00 0.00 H ATOM 57 N ARG A 39 -2.234 -13.640 6.540 1.00 21.41 N ATOM 58 CA ARG A 39 -0.898 -14.006 6.089 1.00 21.63 C ATOM 59 C ARG A 39 -0.084 -12.821 5.593 1.00 20.69 C ATOM 60 O ARG A 39 1.045 -12.993 5.149 1.00 20.79 O ATOM 61 CB ARG A 39 -1.035 -15.050 4.985 1.00 23.28 C ATOM 62 CG ARG A 39 -1.716 -16.323 5.458 1.00 24.49 C ATOM 63 CD ARG A 39 -0.785 -17.173 6.291 1.00 25.12 C ATOM 64 NE ARG A 39 -1.418 -18.399 6.776 1.00 26.67 N ATOM 65 CZ ARG A 39 -2.022 -18.568 7.962 1.00 27.03 C ATOM 66 NH1 ARG A 39 -2.530 -19.751 8.261 1.00 28.24 N ATOM 67 NH2 ARG A 39 -2.139 -17.584 8.857 1.00 26.55 N ATOM 68 HE ARG A 39 -1.398 -19.221 6.139 1.00 0.00 H ATOM 69 HH12 ARG A 39 -3.001 -19.898 9.176 1.00 0.00 H ATOM 70 HH11 ARG A 39 -2.458 -20.535 7.581 1.00 0.00 H ATOM 71 HH22 ARG A 39 -2.615 -17.760 9.764 1.00 0.00 H ATOM 72 HH21 ARG A 39 -1.754 -16.641 8.647 1.00 0.00 H ATOM 73 H ARG A 39 -2.860 -13.134 5.881 1.00 0.00 H ATOM 74 N SER A 40 -0.630 -11.619 5.713 1.00 19.89 N ATOM 75 CA SER A 40 0.014 -10.406 5.238 1.00 19.30 C ATOM 76 C SER A 40 -0.532 -9.216 6.007 1.00 18.82 C ATOM 77 O SER A 40 -1.727 -9.179 6.322 1.00 18.77 O ATOM 78 CB SER A 40 -0.306 -10.213 3.756 1.00 19.82 C ATOM 79 OG SER A 40 0.134 -8.962 3.285 1.00 19.40 O ATOM 80 HG SER A 40 1.114 -8.892 3.404 1.00 0.00 H ATOM 81 H SER A 40 -1.562 -11.541 6.168 1.00 0.00 H ATOM 82 N MET A 41 0.340 -8.240 6.260 1.00 18.27 N ATOM 83 CA MET A 41 -0.058 -6.917 6.761 1.00 18.06 C ATOM 84 C MET A 41 -1.144 -6.292 5.902 1.00 18.09 C ATOM 85 O MET A 41 -1.991 -5.548 6.412 1.00 18.03 O ATOM 86 CB MET A 41 1.155 -5.970 6.792 1.00 18.15 C ATOM 87 CG MET A 41 0.824 -4.556 7.234 1.00 18.43 C ATOM 88 SD MET A 41 2.198 -3.414 7.189 1.00 19.83 S ATOM 89 CE MET A 41 2.336 -3.063 5.457 1.00 20.03 C ATOM 90 H MET A 41 1.350 -8.424 6.095 1.00 0.00 H ATOM 91 N HIS A 42 -1.113 -6.593 4.605 1.00 18.25 N ATOM 92 CA HIS A 42 -2.033 -5.997 3.639 1.00 18.64 C ATOM 93 C HIS A 42 -3.487 -6.404 3.863 1.00 18.90 C ATOM 94 O HIS A 42 -4.378 -5.773 3.318 1.00 19.40 O ATOM 95 CB HIS A 42 -1.611 -6.325 2.202 1.00 19.45 C ATOM 96 CG HIS A 42 -0.203 -5.939 1.900 1.00 19.21 C ATOM 97 ND1 HIS A 42 0.569 -6.615 0.984 1.00 19.83 N ATOM 98 CD2 HIS A 42 0.592 -4.985 2.436 1.00 18.57 C ATOM 99 CE1 HIS A 42 1.774 -6.082 0.958 1.00 19.29 C ATOM 100 NE2 HIS A 42 1.814 -5.088 1.824 1.00 18.87 N ATOM 101 H HIS A 42 -0.407 -7.278 4.267 1.00 0.00 H ATOM 102 N GLU A 43 -3.718 -7.446 4.659 1.00 18.47 N ATOM 103 CA GLU A 43 -5.064 -7.851 5.056 1.00 18.82 C ATOM 104 C GLU A 43 -5.694 -6.989 6.167 1.00 18.12 C ATOM 105 O GLU A 43 -6.870 -7.173 6.476 1.00 18.87 O ATOM 106 CB GLU A 43 -5.060 -9.327 5.462 1.00 19.48 C ATOM 107 CG GLU A 43 -4.670 -10.243 4.316 1.00 20.32 C ATOM 108 CD GLU A 43 -4.655 -11.699 4.714 1.00 21.28 C ATOM 109 OE1 GLU A 43 -5.713 -12.232 5.103 1.00 22.46 O ATOM 110 OE2 GLU A 43 -3.584 -12.330 4.623 1.00 21.56 O ATOM 111 H GLU A 43 -2.907 -7.994 5.012 1.00 0.00 H ATOM 112 N PHE A 44 -4.945 -6.050 6.740 1.00 16.89 N ATOM 113 CA PHE A 44 -5.430 -5.244 7.876 1.00 16.42 C ATOM 114 C PHE A 44 -5.720 -3.799 7.475 1.00 16.19 C ATOM 115 O PHE A 44 -5.271 -3.322 6.430 1.00 15.81 O ATOM 116 CB PHE A 44 -4.419 -5.256 9.016 1.00 15.58 C ATOM 117 CG PHE A 44 -4.219 -6.603 9.619 1.00 15.65 C ATOM 118 CD1 PHE A 44 -3.264 -7.466 9.108 1.00 15.68 C ATOM 119 CD2 PHE A 44 -4.984 -7.013 10.694 1.00 16.12 C ATOM 120 CE1 PHE A 44 -3.074 -8.725 9.656 1.00 15.94 C ATOM 121 CE2 PHE A 44 -4.822 -8.280 11.233 1.00 16.32 C ATOM 122 CZ PHE A 44 -3.857 -9.130 10.719 1.00 16.30 C ATOM 123 H PHE A 44 -3.986 -5.879 6.375 1.00 0.00 H ATOM 124 N SER A 45 -6.511 -3.147 8.321 1.00 16.17 N ATOM 125 CA SER A 45 -6.782 -1.733 8.232 1.00 16.18 C ATOM 126 C SER A 45 -6.493 -1.107 9.587 1.00 15.80 C ATOM 127 O SER A 45 -6.531 -1.800 10.604 1.00 15.68 O ATOM 128 CB SER A 45 -8.249 -1.502 7.842 1.00 17.14 C ATOM 129 OG SER A 45 -8.475 -1.842 6.476 1.00 17.53 O ATOM 130 HG SER A 45 -9.426 -1.684 6.251 1.00 0.00 H ATOM 131 H SER A 45 -6.959 -3.686 9.089 1.00 0.00 H ATOM 132 N ALA A 46 -6.205 0.199 9.603 1.00 15.45 N ATOM 133 CA ALA A 46 -5.884 0.918 10.853 1.00 15.06 C ATOM 134 C ALA A 46 -6.238 2.396 10.729 1.00 15.29 C ATOM 135 O ALA A 46 -6.120 2.990 9.644 1.00 15.42 O ATOM 136 CB ALA A 46 -4.413 0.768 11.203 1.00 14.34 C ATOM 137 H ALA A 46 -6.207 0.726 8.706 1.00 0.00 H ATOM 138 N LYS A 47 -6.661 2.980 11.840 1.00 15.23 N ATOM 139 CA LYS A 47 -7.097 4.356 11.863 1.00 15.60 C ATOM 140 C LYS A 47 -5.899 5.273 11.962 1.00 14.94 C ATOM 141 O LYS A 47 -5.103 5.153 12.903 1.00 14.28 O ATOM 142 CB LYS A 47 -8.029 4.590 13.034 1.00 16.19 C ATOM 143 CG LYS A 47 -8.785 5.894 12.943 1.00 16.88 C ATOM 144 CD LYS A 47 -9.901 5.962 13.952 1.00 17.85 C ATOM 145 CE LYS A 47 -9.400 5.782 15.386 1.00 17.50 C ATOM 146 NZ LYS A 47 -10.462 6.131 16.369 1.00 18.43 N ATOM 147 HZ1 LYS A 47 -10.744 7.123 16.235 1.00 0.00 H ATOM 148 HZ2 LYS A 47 -11.285 5.513 16.222 1.00 0.00 H ATOM 149 HZ3 LYS A 47 -10.096 6.000 17.334 1.00 0.00 H ATOM 150 H LYS A 47 -6.680 2.430 12.723 1.00 0.00 H ATOM 151 N ASP A 48 -5.748 6.169 10.979 1.00 15.13 N ATOM 152 CA ASP A 48 -4.605 7.090 10.986 1.00 14.88 C ATOM 153 C ASP A 48 -4.759 8.148 12.095 1.00 15.10 C ATOM 154 O ASP A 48 -5.807 8.230 12.749 1.00 15.13 O ATOM 155 CB ASP A 48 -4.341 7.707 9.602 1.00 15.24 C ATOM 156 CG ASP A 48 -5.359 8.744 9.184 1.00 16.26 C ATOM 157 OD1 ASP A 48 -6.116 9.303 10.006 1.00 16.65 O ATOM 158 OD2 ASP A 48 -5.383 9.028 7.967 1.00 17.15 O ATOM 159 H ASP A 48 -6.443 6.213 10.207 1.00 0.00 H ATOM 160 N ILE A 49 -3.725 8.963 12.296 1.00 14.91 N ATOM 161 CA ILE A 49 -3.734 9.910 13.426 1.00 15.23 C ATOM 162 C ILE A 49 -4.809 10.999 13.314 1.00 16.51 C ATOM 163 O ILE A 49 -5.102 11.637 14.319 1.00 16.63 O ATOM 164 CB ILE A 49 -2.336 10.559 13.627 1.00 14.65 C ATOM 165 CG1 ILE A 49 -2.175 11.075 15.061 1.00 14.50 C ATOM 166 CG2 ILE A 49 -2.085 11.629 12.564 1.00 15.05 C ATOM 167 CD1 ILE A 49 -0.751 11.051 15.546 1.00 13.97 C ATOM 168 H ILE A 49 -2.908 8.931 11.653 1.00 0.00 H ATOM 169 N ASP A 50 -5.349 11.225 12.099 1.00 17.36 N ATOM 170 CA ASP A 50 -6.458 12.172 11.862 1.00 18.82 C ATOM 171 C ASP A 50 -7.843 11.521 11.999 1.00 19.03 C ATOM 172 O ASP A 50 -8.852 12.182 11.792 1.00 19.61 O ATOM 173 CB ASP A 50 -6.332 12.829 10.474 1.00 19.81 C ATOM 174 CG ASP A 50 -4.979 13.506 10.264 1.00 19.99 C ATOM 175 OD1 ASP A 50 -4.489 14.201 11.173 1.00 20.63 O ATOM 176 OD2 ASP A 50 -4.369 13.305 9.197 1.00 20.67 O ATOM 177 H ASP A 50 -4.964 10.705 11.285 1.00 0.00 H ATOM 178 N GLY A 51 -7.891 10.243 12.362 1.00 18.16 N ATOM 179 CA GLY A 51 -9.173 9.550 12.564 1.00 18.71 C ATOM 180 C GLY A 51 -9.739 8.879 11.328 1.00 18.85 C ATOM 181 O GLY A 51 -10.898 8.464 11.351 1.00 19.36 O ATOM 182 H GLY A 51 -7.003 9.722 12.506 1.00 0.00 H ATOM 183 N HIS A 52 -8.937 8.735 10.266 1.00 18.35 N ATOM 184 CA HIS A 52 -9.421 8.149 8.995 1.00 18.99 C ATOM 185 C HIS A 52 -8.846 6.774 8.763 1.00 18.18 C ATOM 186 O HIS A 52 -7.674 6.578 8.973 1.00 17.34 O ATOM 187 CB HIS A 52 -9.073 9.049 7.819 1.00 19.53 C ATOM 188 CG HIS A 52 -9.541 10.451 8.001 1.00 20.49 C ATOM 189 ND1 HIS A 52 -10.846 10.757 8.305 1.00 21.84 N ATOM 190 CD2 HIS A 52 -8.875 11.629 7.951 1.00 20.71 C ATOM 191 CE1 HIS A 52 -10.970 12.070 8.426 1.00 22.56 C ATOM 192 NE2 HIS A 52 -9.783 12.620 8.223 1.00 21.86 N ATOM 193 H HIS A 52 -7.946 9.043 10.335 1.00 0.00 H ATOM 194 N MET A 53 -9.677 5.829 8.322 1.00 18.70 N ATOM 195 CA MET A 53 -9.223 4.456 8.117 1.00 18.34 C ATOM 196 C MET A 53 -8.279 4.331 6.945 1.00 17.97 C ATOM 197 O MET A 53 -8.489 4.947 5.897 1.00 18.30 O ATOM 198 CB MET A 53 -10.389 3.511 7.893 1.00 19.48 C ATOM 199 CG MET A 53 -11.306 3.355 9.085 1.00 20.03 C ATOM 200 SD MET A 53 -10.383 3.080 10.602 1.00 19.66 S ATOM 201 CE MET A 53 -9.632 1.482 10.311 1.00 18.50 C ATOM 202 H MET A 53 -10.667 6.074 8.120 1.00 0.00 H ATOM 203 N VAL A 54 -7.240 3.529 7.139 1.00 17.09 N ATOM 204 CA VAL A 54 -6.280 3.221 6.091 1.00 16.98 C ATOM 205 C VAL A 54 -6.328 1.716 5.824 1.00 17.06 C ATOM 206 O VAL A 54 -6.131 0.920 6.742 1.00 16.49 O ATOM 207 CB VAL A 54 -4.857 3.616 6.521 1.00 16.19 C ATOM 208 CG1 VAL A 54 -3.845 3.279 5.426 1.00 16.17 C ATOM 209 CG2 VAL A 54 -4.793 5.093 6.886 1.00 16.33 C ATOM 210 H VAL A 54 -7.107 3.103 8.079 1.00 0.00 H ATOM 211 N ASN A 55 -6.585 1.337 4.575 1.00 17.56 N ATOM 212 CA ASN A 55 -6.415 -0.026 4.125 1.00 17.97 C ATOM 213 C ASN A 55 -4.917 -0.265 3.955 1.00 17.20 C ATOM 214 O ASN A 55 -4.298 0.366 3.092 1.00 17.30 O ATOM 215 CB ASN A 55 -7.117 -0.225 2.761 1.00 19.27 C ATOM 216 CG ASN A 55 -7.204 -1.687 2.350 1.00 19.91 C ATOM 217 OD1 ASN A 55 -6.475 -2.543 2.857 1.00 20.10 O ATOM 218 ND2 ASN A 55 -8.088 -1.978 1.406 1.00 21.31 N ATOM 219 HD22 ASN A 55 -8.685 -1.227 1.003 1.00 0.00 H ATOM 220 HD21 ASN A 55 -8.185 -2.957 1.068 1.00 0.00 H ATOM 221 H ASN A 55 -6.921 2.049 3.896 1.00 0.00 H ATOM 222 N LEU A 56 -4.335 -1.173 4.743 1.00 16.66 N ATOM 223 CA LEU A 56 -2.891 -1.416 4.649 1.00 16.22 C ATOM 224 C LEU A 56 -2.435 -2.137 3.357 1.00 16.82 C ATOM 225 O LEU A 56 -1.228 -2.255 3.117 1.00 16.12 O ATOM 226 CB LEU A 56 -2.338 -2.108 5.910 1.00 15.46 C ATOM 227 CG LEU A 56 -2.697 -1.439 7.234 1.00 14.96 C ATOM 228 CD1 LEU A 56 -1.979 -2.154 8.372 1.00 14.47 C ATOM 229 CD2 LEU A 56 -2.363 0.054 7.242 1.00 14.58 C ATOM 230 H LEU A 56 -4.907 -1.710 5.426 1.00 0.00 H ATOM 231 N ASP A 57 -3.369 -2.595 2.517 1.00 17.98 N ATOM 232 CA ASP A 57 -2.995 -3.037 1.164 1.00 19.08 C ATOM 233 C ASP A 57 -2.364 -1.940 0.284 1.00 19.04 C ATOM 234 O ASP A 57 -1.734 -2.260 -0.733 1.00 19.54 O ATOM 235 CB ASP A 57 -4.157 -3.777 0.441 1.00 20.47 C ATOM 236 CG ASP A 57 -5.235 -2.845 -0.141 1.00 21.61 C ATOM 237 OD1 ASP A 57 -5.143 -1.596 -0.046 1.00 21.86 O ATOM 238 OD2 ASP A 57 -6.208 -3.384 -0.738 1.00 23.06 O ATOM 239 H ASP A 57 -4.363 -2.639 2.821 1.00 0.00 H ATOM 240 N LYS A 58 -2.512 -0.667 0.641 1.00 18.80 N ATOM 241 CA LYS A 58 -1.822 0.395 -0.104 1.00 19.37 C ATOM 242 C LYS A 58 -0.302 0.308 0.007 1.00 18.39 C ATOM 243 O LYS A 58 0.392 0.950 -0.769 1.00 18.73 O ATOM 244 CB LYS A 58 -2.261 1.791 0.335 1.00 20.05 C ATOM 245 CG LYS A 58 -1.808 2.177 1.716 1.00 19.89 C ATOM 246 CD LYS A 58 -2.270 3.576 2.071 1.00 20.86 C ATOM 247 CE LYS A 58 -1.201 4.603 1.790 1.00 21.54 C ATOM 248 NZ LYS A 58 -1.690 5.920 2.268 1.00 22.54 N ATOM 249 HZ1 LYS A 58 -2.566 6.167 1.765 1.00 0.00 H ATOM 250 HZ2 LYS A 58 -1.879 5.868 3.289 1.00 0.00 H ATOM 251 HZ3 LYS A 58 -0.967 6.645 2.084 1.00 0.00 H ATOM 252 H LYS A 58 -3.118 -0.423 1.450 1.00 0.00 H ATOM 253 N TYR A 59 0.205 -0.436 0.999 1.00 17.19 N ATOM 254 CA TYR A 59 1.653 -0.688 1.135 1.00 16.63 C ATOM 255 C TYR A 59 2.137 -1.859 0.282 1.00 17.35 C ATOM 256 O TYR A 59 3.339 -2.149 0.256 1.00 16.83 O ATOM 257 CB TYR A 59 2.025 -0.889 2.608 1.00 15.48 C ATOM 258 CG TYR A 59 1.702 0.335 3.399 1.00 14.78 C ATOM 259 CD1 TYR A 59 2.538 1.438 3.368 1.00 14.66 C ATOM 260 CD2 TYR A 59 0.512 0.433 4.128 1.00 14.69 C ATOM 261 CE1 TYR A 59 2.216 2.594 4.058 1.00 14.35 C ATOM 262 CE2 TYR A 59 0.184 1.588 4.825 1.00 14.26 C ATOM 263 CZ TYR A 59 1.035 2.662 4.788 1.00 14.12 C ATOM 264 OH TYR A 59 0.720 3.814 5.474 1.00 13.87 O ATOM 265 HH TYR A 59 1.437 4.483 5.340 1.00 0.00 H ATOM 266 H TYR A 59 -0.444 -0.851 1.698 1.00 0.00 H ATOM 267 N ARG A 60 1.227 -2.511 -0.452 1.00 18.30 N ATOM 268 CA ARG A 60 1.647 -3.597 -1.318 1.00 19.47 C ATOM 269 C ARG A 60 2.648 -3.076 -2.354 1.00 19.59 C ATOM 270 O ARG A 60 2.416 -2.062 -3.018 1.00 19.44 O ATOM 271 CB ARG A 60 0.462 -4.291 -2.006 1.00 21.17 C ATOM 272 CG ARG A 60 0.916 -5.503 -2.833 1.00 22.75 C ATOM 273 CD ARG A 60 -0.190 -6.492 -3.161 1.00 24.43 C ATOM 274 NE ARG A 60 -1.070 -5.928 -4.167 1.00 26.17 N ATOM 275 CZ ARG A 60 -1.757 -6.608 -5.099 1.00 27.80 C ATOM 276 NH1 ARG A 60 -2.504 -5.914 -5.945 1.00 29.04 N ATOM 277 NH2 ARG A 60 -1.707 -7.943 -5.219 1.00 28.55 N ATOM 278 HE ARG A 60 -1.180 -4.894 -4.166 1.00 0.00 H ATOM 279 HH12 ARG A 60 -3.050 -6.406 -6.681 1.00 0.00 H ATOM 280 HH11 ARG A 60 -2.544 -4.877 -5.874 1.00 0.00 H ATOM 281 HH22 ARG A 60 -2.260 -8.420 -5.960 1.00 0.00 H ATOM 282 HH21 ARG A 60 -1.115 -8.502 -4.571 1.00 0.00 H ATOM 283 H ARG A 60 0.224 -2.241 -0.402 1.00 0.00 H ATOM 284 N GLY A 61 3.764 -3.784 -2.467 1.00 19.57 N ATOM 285 CA GLY A 61 4.838 -3.409 -3.371 1.00 20.08 C ATOM 286 C GLY A 61 5.881 -2.496 -2.739 1.00 19.45 C ATOM 287 O GLY A 61 6.851 -2.125 -3.414 1.00 19.61 O ATOM 288 H GLY A 61 3.874 -4.640 -1.887 1.00 0.00 H ATOM 289 N PHE A 62 5.701 -2.146 -1.456 1.00 18.50 N ATOM 290 CA PHE A 62 6.625 -1.272 -0.722 1.00 18.08 C ATOM 291 C PHE A 62 7.174 -2.009 0.471 1.00 16.96 C ATOM 292 O PHE A 62 6.458 -2.738 1.121 1.00 16.47 O ATOM 293 CB PHE A 62 5.902 -0.060 -0.174 1.00 18.43 C ATOM 294 CG PHE A 62 5.391 0.868 -1.225 1.00 19.77 C ATOM 295 CD1 PHE A 62 6.262 1.658 -1.933 1.00 20.76 C ATOM 296 CD2 PHE A 62 4.033 0.958 -1.494 1.00 20.76 C ATOM 297 CE1 PHE A 62 5.814 2.533 -2.898 1.00 21.78 C ATOM 298 CE2 PHE A 62 3.559 1.831 -2.453 1.00 21.52 C ATOM 299 CZ PHE A 62 4.454 2.625 -3.164 1.00 22.26 C ATOM 300 H PHE A 62 4.865 -2.512 -0.957 1.00 0.00 H ATOM 301 N VAL A 63 8.446 -1.789 0.763 1.00 16.51 N ATOM 302 CA VAL A 63 9.063 -2.276 1.989 1.00 15.74 C ATOM 303 C VAL A 63 8.634 -1.317 3.076 1.00 14.74 C ATOM 304 O VAL A 63 8.717 -0.092 2.879 1.00 14.98 O ATOM 305 CB VAL A 63 10.598 -2.302 1.866 1.00 15.99 C ATOM 306 CG1 VAL A 63 11.252 -2.708 3.183 1.00 15.44 C ATOM 307 CG2 VAL A 63 11.001 -3.250 0.737 1.00 16.91 C ATOM 308 H VAL A 63 9.027 -1.248 0.091 1.00 0.00 H ATOM 309 N SER A 64 8.164 -1.861 4.205 1.00 13.84 N ATOM 310 CA SER A 64 7.580 -1.055 5.283 1.00 13.04 C ATOM 311 C SER A 64 8.256 -1.337 6.616 1.00 12.33 C ATOM 312 O SER A 64 8.592 -2.475 6.916 1.00 12.42 O ATOM 313 CB SER A 64 6.075 -1.308 5.421 1.00 13.06 C ATOM 314 OG SER A 64 5.400 -1.036 4.190 1.00 13.74 O ATOM 315 HG SER A 64 4.431 -1.206 4.302 1.00 0.00 H ATOM 316 H SER A 64 8.215 -2.893 4.322 1.00 0.00 H ATOM 317 N ILE A 65 8.443 -0.285 7.406 1.00 11.77 N ATOM 318 CA ILE A 65 8.848 -0.394 8.812 1.00 11.02 C ATOM 319 C ILE A 65 7.604 -0.034 9.635 1.00 10.58 C ATOM 320 O ILE A 65 7.033 1.047 9.447 1.00 10.33 O ATOM 321 CB ILE A 65 9.989 0.582 9.170 1.00 11.08 C ATOM 322 CG1 ILE A 65 11.273 0.221 8.403 1.00 11.56 C ATOM 323 CG2 ILE A 65 10.281 0.554 10.676 1.00 10.72 C ATOM 324 CD1 ILE A 65 12.328 1.308 8.420 1.00 11.84 C ATOM 325 H ILE A 65 8.295 0.664 7.007 1.00 0.00 H ATOM 326 N VAL A 66 7.197 -0.926 10.542 1.00 10.21 N ATOM 327 CA VAL A 66 6.073 -0.654 11.454 1.00 10.03 C ATOM 328 C VAL A 66 6.683 -0.536 12.846 1.00 9.80 C ATOM 329 O VAL A 66 7.425 -1.441 13.257 1.00 9.77 O ATOM 330 CB VAL A 66 5.013 -1.780 11.388 1.00 10.23 C ATOM 331 CG1 VAL A 66 3.869 -1.506 12.348 1.00 10.27 C ATOM 332 CG2 VAL A 66 4.473 -1.911 9.968 1.00 10.61 C ATOM 333 H VAL A 66 7.689 -1.840 10.606 1.00 0.00 H ATOM 334 N THR A 67 6.388 0.562 13.548 1.00 9.55 N ATOM 335 CA THR A 67 6.986 0.833 14.854 1.00 9.43 C ATOM 336 C THR A 67 5.986 1.450 15.825 1.00 9.56 C ATOM 337 O THR A 67 5.064 2.170 15.406 1.00 9.77 O ATOM 338 CB THR A 67 8.235 1.727 14.705 1.00 9.36 C ATOM 339 OG1 THR A 67 8.879 1.886 15.983 1.00 9.30 O ATOM 340 CG2 THR A 67 7.866 3.085 14.123 1.00 9.52 C ATOM 341 HG1 THR A 67 9.151 0.998 16.327 1.00 0.00 H ATOM 342 H THR A 67 5.711 1.246 13.153 1.00 0.00 H ATOM 343 N ASN A 68 6.157 1.152 17.109 1.00 9.49 N ATOM 344 CA ASN A 68 5.349 1.753 18.183 1.00 9.73 C ATOM 345 C ASN A 68 6.158 2.913 18.763 1.00 9.68 C ATOM 346 O ASN A 68 7.323 2.734 19.110 1.00 9.48 O ATOM 347 CB ASN A 68 4.957 0.757 19.285 1.00 9.89 C ATOM 348 CG ASN A 68 6.143 0.074 19.938 1.00 9.75 C ATOM 349 OD1 ASN A 68 6.950 -0.587 19.264 1.00 9.57 O ATOM 350 ND2 ASN A 68 6.246 0.203 21.265 1.00 9.92 N ATOM 351 HD22 ASN A 68 5.546 0.767 21.789 1.00 0.00 H ATOM 352 HD21 ASN A 68 7.026 -0.261 21.774 1.00 0.00 H ATOM 353 H ASN A 68 6.894 0.464 17.366 1.00 0.00 H ATOM 354 N VAL A 69 5.552 4.096 18.825 1.00 9.93 N ATOM 355 CA VAL A 69 6.275 5.323 19.203 1.00 10.30 C ATOM 356 C VAL A 69 5.759 5.902 20.519 1.00 10.66 C ATOM 357 O VAL A 69 4.672 5.545 20.998 1.00 11.12 O ATOM 358 CB VAL A 69 6.242 6.397 18.070 1.00 10.43 C ATOM 359 CG1 VAL A 69 6.922 5.873 16.805 1.00 10.47 C ATOM 360 CG2 VAL A 69 4.821 6.832 17.761 1.00 10.80 C ATOM 361 H VAL A 69 4.538 4.156 18.600 1.00 0.00 H ATOM 362 N ALA A 70 6.576 6.777 21.098 1.00 10.95 N ATOM 363 CA ALA A 70 6.267 7.512 22.329 1.00 11.52 C ATOM 364 C ALA A 70 7.065 8.804 22.341 1.00 11.84 C ATOM 365 O ALA A 70 8.215 8.846 21.896 1.00 11.61 O ATOM 366 CB ALA A 70 6.590 6.677 23.569 1.00 11.56 C ATOM 367 H ALA A 70 7.497 6.952 20.647 1.00 0.00 H ATOM 368 N SER A 71 6.464 9.852 22.877 1.00 12.28 N ATOM 369 CA SER A 71 7.052 11.181 22.843 1.00 12.86 C ATOM 370 C SER A 71 7.968 11.459 24.031 1.00 13.36 C ATOM 371 O SER A 71 8.814 12.347 23.953 1.00 13.28 O ATOM 372 CB SER A 71 5.939 12.233 22.801 1.00 13.49 C ATOM 373 OG SER A 71 5.146 12.054 21.643 1.00 13.49 O ATOM 374 HG SER A 71 4.741 11.151 21.658 1.00 0.00 H ATOM 375 H SER A 71 5.541 9.722 23.338 1.00 0.00 H ATOM 376 N GLN A 72 7.793 10.713 25.117 1.00 13.86 N ATOM 377 CA GLN A 72 8.550 10.952 26.356 1.00 14.99 C ATOM 378 C GLN A 72 9.417 9.772 26.811 1.00 14.87 C ATOM 379 O GLN A 72 9.417 9.437 28.008 1.00 15.03 O ATOM 380 CB GLN A 72 7.588 11.385 27.464 1.00 16.18 C ATOM 381 CG GLN A 72 6.793 12.612 27.070 1.00 17.13 C ATOM 382 CD GLN A 72 5.844 13.075 28.137 1.00 18.43 C ATOM 383 OE1 GLN A 72 5.879 12.619 29.282 1.00 19.39 O ATOM 384 NE2 GLN A 72 5.011 14.015 27.777 1.00 19.15 N ATOM 385 HE22 GLN A 72 5.018 14.369 26.799 1.00 0.00 H ATOM 386 HE21 GLN A 72 4.341 14.409 28.468 1.00 0.00 H ATOM 387 H GLN A 72 7.101 9.937 25.090 1.00 0.00 H HETATM 388 N CSD A 73 10.207 9.220 25.868 1.00 14.45 N HETATM 389 CA CSD A 73 11.140 8.085 26.085 1.00 14.47 C HETATM 390 C CSD A 73 12.539 8.673 25.958 1.00 14.43 C HETATM 391 O CSD A 73 12.763 9.672 25.245 1.00 14.43 O HETATM 392 CB CSD A 73 10.971 6.934 25.031 1.00 14.53 C HETATM 393 SG CSD A 73 11.632 5.342 25.390 1.00 15.67 S HETATM 394 OD2 CSD A 73 13.064 5.300 24.570 1.00 15.50 O HETATM 395 OD1 CSD A 73 12.068 5.424 26.840 1.00 15.66 O HETATM 396 H CSD A 73 10.159 9.622 24.910 1.00 0.00 H ATOM 397 N GLY A 74 13.507 8.053 26.618 1.00 14.18 N ATOM 398 CA GLY A 74 14.922 8.444 26.477 1.00 14.31 C ATOM 399 C GLY A 74 15.450 8.378 25.049 1.00 14.19 C ATOM 400 O GLY A 74 16.371 9.105 24.703 1.00 14.26 O ATOM 401 H GLY A 74 13.261 7.268 27.254 1.00 0.00 H ATOM 402 N LYS A 75 14.864 7.512 24.220 1.00 13.46 N ATOM 403 CA LYS A 75 15.270 7.375 22.822 1.00 13.48 C ATOM 404 C LYS A 75 14.274 7.924 21.818 1.00 12.71 C ATOM 405 O LYS A 75 14.374 7.626 20.644 1.00 12.34 O ATOM 406 CB LYS A 75 15.559 5.905 22.509 1.00 13.91 C ATOM 407 CG LYS A 75 16.597 5.302 23.416 1.00 15.03 C ATOM 408 CD LYS A 75 17.920 6.072 23.360 1.00 16.27 C ATOM 409 CE LYS A 75 19.118 5.160 23.503 1.00 17.51 C ATOM 410 NZ LYS A 75 18.954 4.305 24.703 1.00 18.01 N ATOM 411 HZ1 LYS A 75 18.875 4.907 25.548 1.00 0.00 H ATOM 412 HZ2 LYS A 75 18.093 3.731 24.603 1.00 0.00 H ATOM 413 HZ3 LYS A 75 19.780 3.680 24.797 1.00 0.00 H ATOM 414 H LYS A 75 14.093 6.915 24.580 1.00 0.00 H ATOM 415 N THR A 76 13.329 8.750 22.250 1.00 12.52 N ATOM 416 CA THR A 76 12.408 9.417 21.317 1.00 12.29 C ATOM 417 C THR A 76 13.146 10.169 20.193 1.00 12.95 C ATOM 418 O THR A 76 12.837 9.987 18.987 1.00 12.25 O ATOM 419 CB THR A 76 11.448 10.343 22.075 1.00 12.33 C ATOM 420 OG1 THR A 76 10.610 9.555 22.960 1.00 11.95 O ATOM 421 CG2 THR A 76 10.593 11.161 21.135 1.00 12.41 C ATOM 422 HG1 THR A 76 10.088 8.905 22.426 1.00 0.00 H ATOM 423 H THR A 76 13.238 8.929 23.270 1.00 0.00 H ATOM 424 N GLU A 77 14.095 11.016 20.578 1.00 13.86 N ATOM 425 CA GLU A 77 14.838 11.800 19.610 1.00 15.30 C ATOM 426 C GLU A 77 15.608 10.942 18.602 1.00 14.71 C ATOM 427 O GLU A 77 15.471 11.158 17.398 1.00 14.69 O ATOM 428 CB GLU A 77 15.778 12.817 20.287 1.00 17.19 C ATOM 429 CG GLU A 77 16.535 13.698 19.296 1.00 19.10 C ATOM 430 CD GLU A 77 17.413 14.722 19.987 1.00 21.52 C ATOM 431 OE1 GLU A 77 16.991 15.878 20.105 1.00 24.38 O ATOM 432 OE2 GLU A 77 18.525 14.392 20.438 1.00 23.03 O ATOM 433 H GLU A 77 14.309 11.118 21.591 1.00 0.00 H ATOM 434 N VAL A 78 16.406 9.985 19.058 1.00 14.41 N ATOM 435 CA VAL A 78 17.180 9.174 18.088 1.00 14.45 C ATOM 436 C VAL A 78 16.259 8.427 17.110 1.00 13.39 C ATOM 437 O VAL A 78 16.544 8.356 15.902 1.00 13.40 O ATOM 438 CB VAL A 78 18.221 8.230 18.755 1.00 15.01 C ATOM 439 CG1 VAL A 78 17.573 7.154 19.591 1.00 14.64 C ATOM 440 CG2 VAL A 78 19.095 7.584 17.688 1.00 15.64 C ATOM 441 H VAL A 78 16.487 9.807 20.079 1.00 0.00 H ATOM 442 N ASN A 79 15.137 7.923 17.626 1.00 12.21 N ATOM 443 CA ASN A 79 14.214 7.155 16.814 1.00 11.60 C ATOM 444 C ASN A 79 13.501 7.980 15.761 1.00 11.60 C ATOM 445 O ASN A 79 13.541 7.608 14.582 1.00 11.68 O ATOM 446 CB ASN A 79 13.231 6.343 17.670 1.00 11.04 C ATOM 447 CG ASN A 79 13.819 5.029 18.095 1.00 10.83 C ATOM 448 OD1 ASN A 79 13.780 4.078 17.329 1.00 10.96 O ATOM 449 ND2 ASN A 79 14.424 4.975 19.284 1.00 10.82 N ATOM 450 HD22 ASN A 79 14.431 5.811 19.902 1.00 0.00 H ATOM 451 HD21 ASN A 79 14.888 4.097 19.592 1.00 0.00 H ATOM 452 H ASN A 79 14.920 8.084 18.630 1.00 0.00 H ATOM 453 N TYR A 80 12.862 9.085 16.160 1.00 11.36 N ATOM 454 CA TYR A 80 12.195 9.941 15.191 1.00 11.39 C ATOM 455 C TYR A 80 13.191 10.500 14.164 1.00 11.74 C ATOM 456 O TYR A 80 12.916 10.443 12.957 1.00 12.07 O ATOM 457 CB TYR A 80 11.446 11.088 15.873 1.00 11.60 C ATOM 458 CG TYR A 80 10.001 10.754 16.251 1.00 11.39 C ATOM 459 CD1 TYR A 80 8.994 10.806 15.288 1.00 11.52 C ATOM 460 CD2 TYR A 80 9.648 10.434 17.545 1.00 11.08 C ATOM 461 CE1 TYR A 80 7.668 10.532 15.596 1.00 11.44 C ATOM 462 CE2 TYR A 80 8.312 10.165 17.875 1.00 11.30 C ATOM 463 CZ TYR A 80 7.330 10.219 16.890 1.00 11.31 C ATOM 464 OH TYR A 80 6.012 9.984 17.162 1.00 11.71 O ATOM 465 HH TYR A 80 5.691 10.642 17.828 1.00 0.00 H ATOM 466 H TYR A 80 12.842 9.334 17.170 1.00 0.00 H ATOM 467 N THR A 81 14.335 11.007 14.624 1.00 11.81 N ATOM 468 CA THR A 81 15.329 11.598 13.722 1.00 12.38 C ATOM 469 C THR A 81 15.774 10.599 12.650 1.00 12.25 C ATOM 470 O THR A 81 15.833 10.930 11.463 1.00 12.69 O ATOM 471 CB THR A 81 16.539 12.151 14.508 1.00 12.84 C ATOM 472 OG1 THR A 81 16.079 13.153 15.421 1.00 12.97 O ATOM 473 CG2 THR A 81 17.568 12.771 13.579 1.00 13.66 C ATOM 474 HG1 THR A 81 15.427 12.752 16.048 1.00 0.00 H ATOM 475 H THR A 81 14.527 10.983 15.646 1.00 0.00 H ATOM 476 N GLN A 82 16.069 9.373 13.076 1.00 11.73 N ATOM 477 CA GLN A 82 16.567 8.352 12.165 1.00 11.77 C ATOM 478 C GLN A 82 15.493 7.823 11.205 1.00 11.47 C ATOM 479 O GLN A 82 15.789 7.583 10.055 1.00 11.57 O ATOM 480 CB GLN A 82 17.277 7.219 12.928 1.00 11.52 C ATOM 481 CG GLN A 82 18.574 7.672 13.574 1.00 11.96 C ATOM 482 CD GLN A 82 19.398 6.542 14.163 1.00 12.01 C ATOM 483 OE1 GLN A 82 18.994 5.393 14.145 1.00 11.66 O ATOM 484 NE2 GLN A 82 20.591 6.869 14.635 1.00 12.63 N ATOM 485 HE22 GLN A 82 20.897 7.863 14.632 1.00 0.00 H ATOM 486 HE21 GLN A 82 21.222 6.132 15.009 1.00 0.00 H ATOM 487 H GLN A 82 15.941 9.139 14.081 1.00 0.00 H ATOM 488 N LEU A 83 14.254 7.657 11.685 1.00 10.75 N ATOM 489 CA LEU A 83 13.144 7.255 10.828 1.00 10.64 C ATOM 490 C LEU A 83 12.840 8.297 9.759 1.00 11.10 C ATOM 491 O LEU A 83 12.649 7.949 8.607 1.00 11.33 O ATOM 492 CB LEU A 83 11.891 6.974 11.673 1.00 10.08 C ATOM 493 CG LEU A 83 11.986 5.732 12.581 1.00 9.73 C ATOM 494 CD1 LEU A 83 10.897 5.787 13.629 1.00 9.52 C ATOM 495 CD2 LEU A 83 11.885 4.446 11.785 1.00 9.77 C ATOM 496 H LEU A 83 14.078 7.819 12.697 1.00 0.00 H ATOM 497 N VAL A 84 12.814 9.569 10.143 1.00 11.40 N ATOM 498 CA VAL A 84 12.647 10.666 9.174 1.00 12.22 C ATOM 499 C VAL A 84 13.764 10.650 8.136 1.00 12.89 C ATOM 500 O VAL A 84 13.515 10.776 6.916 1.00 13.17 O ATOM 501 CB VAL A 84 12.570 12.051 9.876 1.00 12.54 C ATOM 502 CG1 VAL A 84 12.500 13.184 8.871 1.00 13.34 C ATOM 503 CG2 VAL A 84 11.315 12.105 10.742 1.00 12.21 C ATOM 504 H VAL A 84 12.914 9.796 11.153 1.00 0.00 H ATOM 505 N ASP A 85 14.988 10.472 8.609 1.00 13.17 N ATOM 506 CA ASP A 85 16.147 10.390 7.718 1.00 14.11 C ATOM 507 C ASP A 85 16.059 9.217 6.735 1.00 14.04 C ATOM 508 O ASP A 85 16.305 9.389 5.530 1.00 14.86 O ATOM 509 CB ASP A 85 17.414 10.286 8.557 1.00 14.56 C ATOM 510 CG ASP A 85 18.644 10.057 7.726 1.00 15.60 C ATOM 511 OD1 ASP A 85 18.833 10.730 6.686 1.00 16.73 O ATOM 512 OD2 ASP A 85 19.434 9.174 8.110 1.00 16.00 O ATOM 513 H ASP A 85 15.129 10.389 9.636 1.00 0.00 H ATOM 514 N LEU A 86 15.700 8.036 7.229 1.00 13.35 N ATOM 515 CA LEU A 86 15.511 6.867 6.340 1.00 13.52 C ATOM 516 C LEU A 86 14.435 7.115 5.287 1.00 13.73 C ATOM 517 O LEU A 86 14.628 6.822 4.103 1.00 14.02 O ATOM 518 CB LEU A 86 15.150 5.605 7.130 1.00 12.93 C ATOM 519 CG LEU A 86 16.240 4.978 7.991 1.00 12.96 C ATOM 520 CD1 LEU A 86 15.648 3.922 8.909 1.00 12.36 C ATOM 521 CD2 LEU A 86 17.373 4.400 7.143 1.00 13.74 C ATOM 522 H LEU A 86 15.550 7.932 8.253 1.00 0.00 H ATOM 523 N HIS A 87 13.293 7.628 5.740 1.00 13.49 N ATOM 524 CA HIS A 87 12.179 7.947 4.841 1.00 13.92 C ATOM 525 C HIS A 87 12.584 8.931 3.734 1.00 14.85 C ATOM 526 O HIS A 87 12.207 8.772 2.547 1.00 14.98 O ATOM 527 CB HIS A 87 11.000 8.502 5.639 1.00 13.67 C ATOM 528 CG HIS A 87 9.743 8.622 4.838 1.00 14.19 C ATOM 529 ND1 HIS A 87 9.077 9.814 4.677 1.00 14.69 N ATOM 530 CD2 HIS A 87 9.048 7.701 4.131 1.00 14.35 C ATOM 531 CE1 HIS A 87 8.007 9.618 3.927 1.00 15.04 C ATOM 532 NE2 HIS A 87 7.973 8.347 3.573 1.00 14.87 N ATOM 533 H HIS A 87 13.188 7.807 6.759 1.00 0.00 H ATOM 534 N ALA A 88 13.326 9.964 4.122 1.00 15.14 N ATOM 535 CA ALA A 88 13.781 10.977 3.161 1.00 16.37 C ATOM 536 C ALA A 88 14.706 10.333 2.122 1.00 17.24 C ATOM 537 O ALA A 88 14.581 10.583 0.926 1.00 17.82 O ATOM 538 CB ALA A 88 14.490 12.129 3.882 1.00 16.63 C ATOM 539 H ALA A 88 13.589 10.056 5.124 1.00 0.00 H ATOM 540 N ARG A 89 15.608 9.473 2.573 1.00 17.36 N ATOM 541 CA ARG A 89 16.617 8.921 1.673 1.00 18.74 C ATOM 542 C ARG A 89 16.145 7.701 0.880 1.00 18.94 C ATOM 543 O ARG A 89 16.705 7.421 -0.169 1.00 19.49 O ATOM 544 CB ARG A 89 17.927 8.647 2.414 1.00 19.05 C ATOM 545 CG ARG A 89 18.625 9.929 2.883 1.00 19.76 C ATOM 546 CD ARG A 89 20.012 9.661 3.487 1.00 20.31 C ATOM 547 NE ARG A 89 19.887 8.921 4.752 1.00 19.59 N ATOM 548 CZ ARG A 89 20.105 7.610 4.928 1.00 19.68 C ATOM 549 NH1 ARG A 89 20.534 6.825 3.944 1.00 20.84 N ATOM 550 NH2 ARG A 89 19.927 7.069 6.120 1.00 18.93 N ATOM 551 HE ARG A 89 19.602 9.467 5.590 1.00 0.00 H ATOM 552 HH12 ARG A 89 20.692 5.812 4.118 1.00 0.00 H ATOM 553 HH11 ARG A 89 20.712 7.224 3.000 1.00 0.00 H ATOM 554 HH22 ARG A 89 20.095 6.052 6.260 1.00 0.00 H ATOM 555 HH21 ARG A 89 19.619 7.660 6.918 1.00 0.00 H ATOM 556 H ARG A 89 15.597 9.190 3.574 1.00 0.00 H ATOM 557 N TYR A 90 15.127 6.986 1.361 1.00 18.56 N ATOM 558 CA TYR A 90 14.678 5.753 0.699 1.00 19.22 C ATOM 559 C TYR A 90 13.240 5.727 0.183 1.00 20.12 C ATOM 560 O TYR A 90 12.869 4.736 -0.446 1.00 20.37 O ATOM 561 CB TYR A 90 14.870 4.554 1.624 1.00 18.25 C ATOM 562 CG TYR A 90 16.293 4.164 1.824 1.00 18.27 C ATOM 563 CD1 TYR A 90 16.958 3.407 0.876 1.00 19.20 C ATOM 564 CD2 TYR A 90 16.980 4.540 2.974 1.00 17.95 C ATOM 565 CE1 TYR A 90 18.285 3.038 1.042 1.00 19.61 C ATOM 566 CE2 TYR A 90 18.303 4.170 3.163 1.00 18.24 C ATOM 567 CZ TYR A 90 18.953 3.420 2.194 1.00 19.20 C ATOM 568 OH TYR A 90 20.264 3.052 2.356 1.00 19.64 O ATOM 569 HH TYR A 90 20.353 2.503 3.175 1.00 0.00 H ATOM 570 H TYR A 90 14.641 7.308 2.222 1.00 0.00 H ATOM 571 N ALA A 91 12.434 6.771 0.413 1.00 21.14 N ATOM 572 CA ALA A 91 10.990 6.723 0.022 1.00 21.74 C ATOM 573 C ALA A 91 10.814 6.467 -1.493 1.00 23.48 C ATOM 574 O ALA A 91 9.911 5.718 -1.911 1.00 23.22 O ATOM 575 CB ALA A 91 10.244 7.994 0.435 1.00 21.60 C ATOM 576 H ALA A 91 12.815 7.625 0.868 1.00 0.00 H ATOM 577 N GLU A 92 11.716 7.038 -2.294 1.00 24.93 N ATOM 578 CA GLU A 92 11.762 6.763 -3.723 1.00 26.77 C ATOM 579 C GLU A 92 12.164 5.317 -4.126 1.00 26.83 C ATOM 580 O GLU A 92 11.763 4.860 -5.198 1.00 27.10 O ATOM 581 CB GLU A 92 12.666 7.770 -4.440 1.00 28.64 C ATOM 582 CG GLU A 92 12.368 7.833 -5.937 1.00 30.87 C ATOM 583 CD GLU A 92 13.102 8.934 -6.676 1.00 32.92 C ATOM 584 OE1 GLU A 92 12.442 9.918 -7.092 1.00 34.29 O ATOM 585 OE2 GLU A 92 14.335 8.805 -6.862 1.00 34.58 O ATOM 586 H GLU A 92 12.407 7.699 -1.885 1.00 0.00 H ATOM 587 N ARG A 93 12.968 4.626 -3.317 1.00 26.05 N ATOM 588 CA ARG A 93 13.197 3.171 -3.485 1.00 26.29 C ATOM 589 C ARG A 93 12.012 2.329 -3.030 1.00 24.72 C ATOM 590 O ARG A 93 11.995 1.132 -3.261 1.00 25.31 O ATOM 591 CB ARG A 93 14.422 2.686 -2.703 1.00 27.29 C ATOM 592 CG ARG A 93 15.748 3.092 -3.280 1.00 29.65 C ATOM 593 CD ARG A 93 16.231 2.128 -4.354 1.00 31.85 C ATOM 594 NE ARG A 93 16.845 0.897 -3.837 1.00 32.75 N ATOM 595 CZ ARG A 93 18.026 0.809 -3.210 1.00 33.89 C ATOM 596 NH1 ARG A 93 18.769 1.890 -2.936 1.00 34.91 N ATOM 597 NH2 ARG A 93 18.468 -0.384 -2.817 1.00 34.32 N ATOM 598 HE ARG A 93 16.314 0.013 -3.970 1.00 0.00 H ATOM 599 HH12 ARG A 93 19.681 1.784 -2.448 1.00 0.00 H ATOM 600 HH11 ARG A 93 18.434 2.835 -3.212 1.00 0.00 H ATOM 601 HH22 ARG A 93 19.383 -0.465 -2.329 1.00 0.00 H ATOM 602 HH21 ARG A 93 17.898 -1.235 -2.998 1.00 0.00 H ATOM 603 H ARG A 93 13.451 5.125 -2.542 1.00 0.00 H ATOM 604 N GLY A 94 11.051 2.935 -2.346 1.00 22.72 N ATOM 605 CA GLY A 94 9.842 2.261 -1.914 1.00 21.68 C ATOM 606 C GLY A 94 9.749 2.003 -0.415 1.00 20.06 C ATOM 607 O GLY A 94 9.038 1.065 0.002 1.00 20.33 O ATOM 608 H GLY A 94 11.170 3.940 -2.108 1.00 0.00 H ATOM 609 N LEU A 95 10.439 2.807 0.407 1.00 18.53 N ATOM 610 CA LEU A 95 10.346 2.640 1.856 1.00 16.92 C ATOM 611 C LEU A 95 9.138 3.392 2.407 1.00 16.06 C ATOM 612 O LEU A 95 8.974 4.594 2.167 1.00 15.99 O ATOM 613 CB LEU A 95 11.622 3.089 2.584 1.00 16.48 C ATOM 614 CG LEU A 95 11.604 2.858 4.108 1.00 15.68 C ATOM 615 CD1 LEU A 95 11.572 1.362 4.443 1.00 15.51 C ATOM 616 CD2 LEU A 95 12.780 3.532 4.794 1.00 15.56 C ATOM 617 H LEU A 95 11.044 3.554 0.011 1.00 0.00 H ATOM 618 N ARG A 96 8.326 2.682 3.184 1.00 15.30 N ATOM 619 CA ARG A 96 7.215 3.292 3.904 1.00 14.86 C ATOM 620 C ARG A 96 7.397 3.051 5.408 1.00 13.51 C ATOM 621 O ARG A 96 7.981 2.045 5.813 1.00 13.10 O ATOM 622 CB ARG A 96 5.901 2.736 3.366 1.00 15.71 C ATOM 623 CG ARG A 96 5.675 3.026 1.868 1.00 17.11 C ATOM 624 CD ARG A 96 5.438 4.519 1.647 1.00 17.99 C ATOM 625 NE ARG A 96 5.220 4.881 0.247 1.00 19.78 N ATOM 626 CZ ARG A 96 6.179 5.152 -0.650 1.00 20.54 C ATOM 627 NH1 ARG A 96 7.483 5.084 -0.339 1.00 20.69 N ATOM 628 NH2 ARG A 96 5.829 5.492 -1.883 1.00 21.50 N ATOM 629 HE ARG A 96 4.235 4.933 -0.082 1.00 0.00 H ATOM 630 HH12 ARG A 96 8.201 5.301 -1.059 1.00 0.00 H ATOM 631 HH11 ARG A 96 7.775 4.815 0.622 1.00 0.00 H ATOM 632 HH22 ARG A 96 6.560 5.705 -2.591 1.00 0.00 H ATOM 633 HH21 ARG A 96 4.823 5.545 -2.142 1.00 0.00 H ATOM 634 H ARG A 96 8.488 1.659 3.281 1.00 0.00 H ATOM 635 N ILE A 97 6.920 3.985 6.226 1.00 12.64 N ATOM 636 CA ILE A 97 7.021 3.870 7.687 1.00 11.74 C ATOM 637 C ILE A 97 5.640 4.141 8.278 1.00 11.55 C ATOM 638 O ILE A 97 4.985 5.183 7.939 1.00 11.70 O ATOM 639 CB ILE A 97 8.077 4.834 8.282 1.00 11.57 C ATOM 640 CG1 ILE A 97 9.471 4.557 7.682 1.00 11.72 C ATOM 641 CG2 ILE A 97 8.105 4.745 9.816 1.00 11.16 C ATOM 642 CD1 ILE A 97 10.572 5.504 8.129 1.00 11.81 C ATOM 643 H ILE A 97 6.461 4.824 5.818 1.00 0.00 H ATOM 644 N LEU A 98 5.184 3.189 9.100 1.00 11.09 N ATOM 645 CA LEU A 98 3.922 3.290 9.847 1.00 11.22 C ATOM 646 C LEU A 98 4.238 3.372 11.330 1.00 10.78 C ATOM 647 O LEU A 98 4.731 2.406 11.915 1.00 10.71 O ATOM 648 CB LEU A 98 3.035 2.065 9.596 1.00 11.54 C ATOM 649 CG LEU A 98 2.537 1.717 8.187 1.00 12.13 C ATOM 650 CD1 LEU A 98 3.636 1.227 7.255 1.00 12.29 C ATOM 651 CD2 LEU A 98 1.448 0.676 8.293 1.00 12.34 C ATOM 652 H LEU A 98 5.755 2.328 9.217 1.00 0.00 H ATOM 653 N ALA A 99 3.920 4.515 11.938 1.00 10.83 N ATOM 654 CA ALA A 99 4.226 4.790 13.334 1.00 10.57 C ATOM 655 C ALA A 99 2.923 4.779 14.150 1.00 10.75 C ATOM 656 O ALA A 99 2.012 5.581 13.892 1.00 10.96 O ATOM 657 CB ALA A 99 4.932 6.128 13.439 1.00 10.70 C ATOM 658 H ALA A 99 3.428 5.247 11.387 1.00 0.00 H ATOM 659 N PHE A 100 2.852 3.849 15.104 1.00 10.52 N ATOM 660 CA PHE A 100 1.721 3.684 16.003 1.00 10.69 C ATOM 661 C PHE A 100 2.074 4.186 17.386 1.00 10.69 C ATOM 662 O PHE A 100 2.827 3.523 18.103 1.00 10.17 O ATOM 663 CB PHE A 100 1.331 2.207 16.094 1.00 10.83 C ATOM 664 CG PHE A 100 0.643 1.698 14.869 1.00 11.10 C ATOM 665 CD1 PHE A 100 1.384 1.219 13.801 1.00 10.95 C ATOM 666 CD2 PHE A 100 -0.744 1.737 14.764 1.00 11.70 C ATOM 667 CE1 PHE A 100 0.746 0.743 12.665 1.00 11.33 C ATOM 668 CE2 PHE A 100 -1.382 1.269 13.627 1.00 11.94 C ATOM 669 CZ PHE A 100 -0.636 0.766 12.583 1.00 11.76 C ATOM 670 H PHE A 100 3.658 3.200 15.212 1.00 0.00 H ATOM 671 N PRO A 101 1.524 5.349 17.788 1.00 10.92 N ATOM 672 CA PRO A 101 1.718 5.757 19.182 1.00 11.17 C ATOM 673 C PRO A 101 1.091 4.751 20.157 1.00 11.56 C ATOM 674 O PRO A 101 0.063 4.122 19.838 1.00 11.68 O ATOM 675 CB PRO A 101 1.019 7.133 19.260 1.00 11.60 C ATOM 676 CG PRO A 101 0.813 7.558 17.843 1.00 11.58 C ATOM 677 CD PRO A 101 0.665 6.288 17.063 1.00 11.29 C ATOM 678 N SER A 102 1.747 4.559 21.309 1.00 11.76 N ATOM 679 CA SER A 102 1.173 3.761 22.386 1.00 12.43 C ATOM 680 C SER A 102 1.625 4.303 23.732 1.00 12.60 C ATOM 681 O SER A 102 2.785 4.687 23.895 1.00 12.07 O ATOM 682 CB SER A 102 1.577 2.287 22.229 1.00 12.30 C ATOM 683 OG SER A 102 1.029 1.469 23.260 1.00 13.16 O ATOM 684 HG SER A 102 0.041 1.523 23.233 1.00 0.00 H ATOM 685 H SER A 102 2.686 4.988 21.438 1.00 0.00 H ATOM 686 N ASN A 103 0.709 4.313 24.690 1.00 13.13 N ATOM 687 CA ASN A 103 0.989 4.798 26.033 1.00 13.71 C ATOM 688 C ASN A 103 1.260 3.653 27.011 1.00 13.81 C ATOM 689 O ASN A 103 1.250 3.857 28.222 1.00 14.37 O ATOM 690 CB ASN A 103 -0.193 5.654 26.530 1.00 14.62 C ATOM 691 CG ASN A 103 0.165 6.541 27.721 1.00 15.23 C ATOM 692 OD1 ASN A 103 1.260 7.109 27.810 1.00 14.80 O ATOM 693 ND2 ASN A 103 -0.784 6.685 28.637 1.00 16.14 N ATOM 694 HD22 ASN A 103 -1.692 6.191 28.527 1.00 0.00 H ATOM 695 HD21 ASN A 103 -0.620 7.292 29.465 1.00 0.00 H ATOM 696 H ASN A 103 -0.245 3.961 24.474 1.00 0.00 H ATOM 697 N GLN A 104 1.554 2.465 26.514 1.00 13.63 N ATOM 698 CA GLN A 104 1.659 1.289 27.380 1.00 14.09 C ATOM 699 C GLN A 104 3.007 1.090 28.089 1.00 13.98 C ATOM 700 O GLN A 104 3.142 0.146 28.873 1.00 14.34 O ATOM 701 CB GLN A 104 1.304 0.016 26.601 1.00 14.17 C ATOM 702 CG GLN A 104 -0.186 -0.232 26.485 1.00 14.95 C ATOM 703 CD GLN A 104 -0.516 -1.587 25.847 1.00 15.12 C ATOM 704 OE1 GLN A 104 0.002 -1.950 24.788 1.00 14.21 O ATOM 705 NE2 GLN A 104 -1.415 -2.324 26.489 1.00 15.95 N ATOM 706 HE22 GLN A 104 -1.828 -1.981 27.380 1.00 0.00 H ATOM 707 HE21 GLN A 104 -1.706 -3.244 26.101 1.00 0.00 H ATOM 708 H GLN A 104 1.713 2.363 25.491 1.00 0.00 H ATOM 709 N PHE A 105 3.990 1.946 27.827 1.00 13.30 N ATOM 710 CA PHE A 105 5.349 1.716 28.305 1.00 13.18 C ATOM 711 C PHE A 105 5.832 2.943 29.042 1.00 13.51 C ATOM 712 O PHE A 105 6.323 3.889 28.431 1.00 12.95 O ATOM 713 CB PHE A 105 6.289 1.337 27.151 1.00 12.26 C ATOM 714 CG PHE A 105 5.801 0.175 26.358 1.00 11.87 C ATOM 715 CD1 PHE A 105 5.896 -1.117 26.868 1.00 12.08 C ATOM 716 CD2 PHE A 105 5.182 0.371 25.132 1.00 11.53 C ATOM 717 CE1 PHE A 105 5.411 -2.191 26.152 1.00 12.04 C ATOM 718 CE2 PHE A 105 4.693 -0.692 24.418 1.00 11.53 C ATOM 719 CZ PHE A 105 4.814 -1.984 24.922 1.00 11.71 C ATOM 720 H PHE A 105 3.785 2.799 27.268 1.00 0.00 H ATOM 721 N GLY A 106 5.677 2.889 30.374 1.00 14.37 N ATOM 722 CA GLY A 106 5.999 4.019 31.255 1.00 15.17 C ATOM 723 C GLY A 106 5.109 5.238 31.110 1.00 15.66 C ATOM 724 O GLY A 106 5.484 6.331 31.534 1.00 15.88 O ATOM 725 H GLY A 106 5.314 2.012 30.799 1.00 0.00 H ATOM 726 N LYS A 107 3.923 5.054 30.521 1.00 16.10 N ATOM 727 CA LYS A 107 3.018 6.157 30.218 1.00 16.67 C ATOM 728 C LYS A 107 3.756 7.300 29.507 1.00 16.00 C ATOM 729 O LYS A 107 3.593 8.470 29.844 1.00 15.88 O ATOM 730 CB LYS A 107 2.283 6.623 31.480 1.00 18.37 C ATOM 731 CG LYS A 107 1.362 5.530 31.979 1.00 19.46 C ATOM 732 CD LYS A 107 0.639 5.844 33.260 1.00 21.38 C ATOM 733 CE LYS A 107 -0.249 4.668 33.630 1.00 22.32 C ATOM 734 NZ LYS A 107 -1.378 5.146 34.462 1.00 24.27 N ATOM 735 HZ1 LYS A 107 -1.007 5.587 35.327 1.00 0.00 H ATOM 736 HZ2 LYS A 107 -1.931 5.844 33.925 1.00 0.00 H ATOM 737 HZ3 LYS A 107 -1.986 4.341 34.715 1.00 0.00 H ATOM 738 H LYS A 107 3.635 4.087 30.269 1.00 0.00 H ATOM 739 N GLN A 108 4.525 6.931 28.482 1.00 15.08 N ATOM 740 CA GLN A 108 5.368 7.881 27.754 1.00 15.00 C ATOM 741 C GLN A 108 4.734 8.509 26.499 1.00 14.81 C ATOM 742 O GLN A 108 5.391 9.287 25.794 1.00 14.40 O ATOM 743 CB GLN A 108 6.718 7.245 27.451 1.00 14.53 C ATOM 744 CG GLN A 108 7.497 7.025 28.726 1.00 15.13 C ATOM 745 CD GLN A 108 8.817 6.297 28.552 1.00 15.02 C ATOM 746 OE1 GLN A 108 9.148 5.830 27.484 1.00 15.31 O ATOM 747 NE2 GLN A 108 9.564 6.195 29.631 1.00 15.86 N ATOM 748 HE22 GLN A 108 9.241 6.611 30.528 1.00 0.00 H ATOM 749 HE21 GLN A 108 10.477 5.699 29.587 1.00 0.00 H ATOM 750 H GLN A 108 4.526 5.933 28.189 1.00 0.00 H ATOM 751 N GLU A 109 3.454 8.227 26.281 1.00 15.16 N ATOM 752 CA GLU A 109 2.673 8.849 25.214 1.00 15.52 C ATOM 753 C GLU A 109 1.320 9.313 25.765 1.00 16.55 C ATOM 754 O GLU A 109 0.261 8.783 25.369 1.00 16.77 O ATOM 755 CB GLU A 109 2.513 7.857 24.063 1.00 15.05 C ATOM 756 CG GLU A 109 1.980 8.447 22.761 1.00 15.14 C ATOM 757 CD GLU A 109 3.007 9.285 22.042 1.00 15.14 C ATOM 758 OE1 GLU A 109 3.438 10.307 22.598 1.00 15.68 O ATOM 759 OE2 GLU A 109 3.372 8.920 20.910 1.00 14.96 O ATOM 760 H GLU A 109 2.987 7.532 26.898 1.00 0.00 H ATOM 761 N PRO A 110 1.348 10.292 26.702 1.00 17.25 N ATOM 762 CA PRO A 110 0.121 10.742 27.341 1.00 18.33 C ATOM 763 C PRO A 110 -0.801 11.597 26.468 1.00 18.64 C ATOM 764 O PRO A 110 -1.963 11.742 26.804 1.00 19.27 O ATOM 765 CB PRO A 110 0.633 11.606 28.506 1.00 18.96 C ATOM 766 CG PRO A 110 1.913 12.176 27.986 1.00 18.50 C ATOM 767 CD PRO A 110 2.521 11.011 27.247 1.00 17.44 C ATOM 768 N GLY A 111 -0.288 12.175 25.392 1.00 18.11 N ATOM 769 CA GLY A 111 -1.022 13.195 24.661 1.00 18.50 C ATOM 770 C GLY A 111 -2.180 12.663 23.847 1.00 18.43 C ATOM 771 O GLY A 111 -2.295 11.462 23.614 1.00 18.03 O ATOM 772 H GLY A 111 0.658 11.894 25.064 1.00 0.00 H ATOM 773 N SER A 112 -3.024 13.592 23.404 1.00 18.90 N ATOM 774 CA SER A 112 -4.058 13.324 22.416 1.00 18.94 C ATOM 775 C SER A 112 -3.413 13.042 21.068 1.00 18.03 C ATOM 776 O SER A 112 -2.258 13.399 20.845 1.00 17.09 O ATOM 777 CB SER A 112 -4.970 14.543 22.265 1.00 20.08 C ATOM 778 OG SER A 112 -4.271 15.580 21.593 1.00 19.81 O ATOM 779 HG SER A 112 -4.864 16.367 21.497 1.00 0.00 H ATOM 780 H SER A 112 -2.940 14.557 23.783 1.00 0.00 H ATOM 781 N ASN A 113 -4.171 12.421 20.162 1.00 18.02 N ATOM 782 CA ASN A 113 -3.667 12.177 18.802 1.00 17.59 C ATOM 783 C ASN A 113 -3.245 13.483 18.128 1.00 18.05 C ATOM 784 O ASN A 113 -2.189 13.536 17.480 1.00 17.07 O ATOM 785 CB ASN A 113 -4.705 11.437 17.950 1.00 17.83 C ATOM 786 CG ASN A 113 -4.835 9.971 18.338 1.00 17.25 C ATOM 787 OD1 ASN A 113 -3.842 9.299 18.556 1.00 15.95 O ATOM 788 ND2 ASN A 113 -6.072 9.473 18.399 1.00 17.96 N ATOM 789 HD22 ASN A 113 -6.889 10.086 18.205 1.00 0.00 H ATOM 790 HD21 ASN A 113 -6.218 8.472 18.641 1.00 0.00 H ATOM 791 H ASN A 113 -5.128 12.106 20.420 1.00 0.00 H ATOM 792 N GLU A 114 -4.023 14.544 18.328 1.00 19.30 N ATOM 793 CA GLU A 114 -3.650 15.838 17.780 1.00 20.36 C ATOM 794 C GLU A 114 -2.317 16.352 18.350 1.00 19.75 C ATOM 795 O GLU A 114 -1.463 16.839 17.603 1.00 19.25 O ATOM 796 CB GLU A 114 -4.780 16.859 17.974 1.00 22.43 C ATOM 797 CG GLU A 114 -4.498 18.251 17.414 1.00 23.92 C ATOM 798 CD GLU A 114 -3.950 18.237 15.987 1.00 24.34 C ATOM 799 OE1 GLU A 114 -3.023 19.028 15.705 1.00 25.00 O ATOM 800 OE2 GLU A 114 -4.447 17.444 15.129 1.00 25.34 O ATOM 801 H GLU A 114 -4.900 14.447 18.878 1.00 0.00 H ATOM 802 N GLU A 115 -2.140 16.243 19.663 1.00 19.54 N ATOM 803 CA GLU A 115 -0.870 16.634 20.296 1.00 19.26 C ATOM 804 C GLU A 115 0.324 15.802 19.825 1.00 17.64 C ATOM 805 O GLU A 115 1.426 16.336 19.655 1.00 17.14 O ATOM 806 CB GLU A 115 -0.982 16.572 21.821 1.00 20.06 C ATOM 807 CG GLU A 115 -1.885 17.645 22.403 1.00 21.87 C ATOM 808 CD GLU A 115 -2.229 17.417 23.873 1.00 22.82 C ATOM 809 OE1 GLU A 115 -2.226 16.256 24.359 1.00 22.45 O ATOM 810 OE2 GLU A 115 -2.524 18.424 24.544 1.00 24.63 O ATOM 811 H GLU A 115 -2.913 15.875 20.254 1.00 0.00 H ATOM 812 N ILE A 116 0.096 14.511 19.576 1.00 16.61 N ATOM 813 CA ILE A 116 1.142 13.610 19.079 1.00 15.64 C ATOM 814 C ILE A 116 1.480 13.975 17.640 1.00 15.51 C ATOM 815 O ILE A 116 2.656 14.034 17.264 1.00 14.75 O ATOM 816 CB ILE A 116 0.705 12.118 19.134 1.00 15.02 C ATOM 817 CG1 ILE A 116 0.469 11.676 20.585 1.00 15.13 C ATOM 818 CG2 ILE A 116 1.765 11.218 18.483 1.00 14.46 C ATOM 819 CD1 ILE A 116 -0.342 10.401 20.724 1.00 14.85 C ATOM 820 H ILE A 116 -0.858 14.130 19.740 1.00 0.00 H ATOM 821 N LYS A 117 0.442 14.215 16.837 1.00 16.01 N ATOM 822 CA LYS A 117 0.653 14.702 15.481 1.00 16.53 C ATOM 823 C LYS A 117 1.515 15.971 15.485 1.00 16.85 C ATOM 824 O LYS A 117 2.447 16.076 14.701 1.00 16.42 O ATOM 825 CB LYS A 117 -0.673 14.988 14.795 1.00 17.51 C ATOM 826 CG LYS A 117 -0.508 15.336 13.323 1.00 17.94 C ATOM 827 CD LYS A 117 -1.855 15.652 12.717 1.00 19.03 C ATOM 828 CE LYS A 117 -1.738 15.801 11.219 1.00 19.57 C ATOM 829 NZ LYS A 117 -2.972 16.441 10.707 1.00 21.01 N ATOM 830 HZ1 LYS A 117 -3.792 15.846 10.940 1.00 0.00 H ATOM 831 HZ2 LYS A 117 -3.084 17.376 11.148 1.00 0.00 H ATOM 832 HZ3 LYS A 117 -2.903 16.549 9.675 1.00 0.00 H ATOM 833 H LYS A 117 -0.526 14.053 17.182 1.00 0.00 H ATOM 834 N GLU A 118 1.211 16.908 16.377 1.00 17.57 N ATOM 835 CA GLU A 118 2.003 18.161 16.504 1.00 18.30 C ATOM 836 C GLU A 118 3.453 17.907 16.945 1.00 17.43 C ATOM 837 O GLU A 118 4.395 18.531 16.433 1.00 17.44 O ATOM 838 CB GLU A 118 1.301 19.176 17.425 1.00 19.61 C ATOM 839 CG GLU A 118 0.101 19.818 16.732 1.00 20.94 C ATOM 840 CD GLU A 118 -0.820 20.603 17.652 1.00 22.32 C ATOM 841 OE1 GLU A 118 -0.348 21.032 18.729 1.00 23.03 O ATOM 842 OE2 GLU A 118 -2.021 20.795 17.286 1.00 23.23 O ATOM 843 H GLU A 118 0.395 16.761 17.005 1.00 0.00 H ATOM 844 N PHE A 119 3.641 16.947 17.838 1.00 16.65 N ATOM 845 CA PHE A 119 4.983 16.533 18.243 1.00 16.06 C ATOM 846 C PHE A 119 5.815 15.954 17.077 1.00 15.58 C ATOM 847 O PHE A 119 6.973 16.365 16.853 1.00 15.38 O ATOM 848 CB PHE A 119 4.893 15.533 19.399 1.00 15.55 C ATOM 849 CG PHE A 119 6.223 15.062 19.895 1.00 14.96 C ATOM 850 CD1 PHE A 119 6.900 15.769 20.869 1.00 15.37 C ATOM 851 CD2 PHE A 119 6.810 13.908 19.369 1.00 14.26 C ATOM 852 CE1 PHE A 119 8.134 15.333 21.326 1.00 15.16 C ATOM 853 CE2 PHE A 119 8.041 13.471 19.821 1.00 13.89 C ATOM 854 CZ PHE A 119 8.702 14.177 20.810 1.00 14.36 C ATOM 855 H PHE A 119 2.815 16.477 18.261 1.00 0.00 H ATOM 856 N ALA A 120 5.225 15.011 16.343 1.00 15.31 N ATOM 857 CA ALA A 120 5.830 14.467 15.126 1.00 15.25 C ATOM 858 C ALA A 120 6.197 15.561 14.125 1.00 16.00 C ATOM 859 O ALA A 120 7.261 15.504 13.500 1.00 15.72 O ATOM 860 CB ALA A 120 4.900 13.457 14.480 1.00 15.26 C ATOM 861 H ALA A 120 4.299 14.648 16.647 1.00 0.00 H ATOM 862 N ALA A 121 5.351 16.579 14.007 1.00 16.94 N ATOM 863 CA ALA A 121 5.609 17.680 13.077 1.00 17.90 C ATOM 864 C ALA A 121 6.915 18.416 13.362 1.00 18.33 C ATOM 865 O ALA A 121 7.527 18.925 12.425 1.00 19.33 O ATOM 866 CB ALA A 121 4.440 18.664 13.038 1.00 18.81 C ATOM 867 H ALA A 121 4.488 16.594 14.587 1.00 0.00 H ATOM 868 N GLY A 122 7.330 18.479 14.627 1.00 18.12 N ATOM 869 CA GLY A 122 8.622 19.065 15.010 1.00 18.44 C ATOM 870 C GLY A 122 9.820 18.359 14.405 1.00 18.04 C ATOM 871 O GLY A 122 10.861 18.971 14.207 1.00 18.26 O ATOM 872 H GLY A 122 6.714 18.098 15.373 1.00 0.00 H ATOM 873 N TYR A 123 9.671 17.062 14.128 1.00 17.27 N ATOM 874 CA TYR A 123 10.703 16.264 13.465 1.00 17.15 C ATOM 875 C TYR A 123 10.567 16.265 11.926 1.00 17.50 C ATOM 876 O TYR A 123 11.326 15.586 11.255 1.00 16.86 O ATOM 877 CB TYR A 123 10.672 14.815 14.006 1.00 16.41 C ATOM 878 CG TYR A 123 11.239 14.695 15.414 1.00 16.36 C ATOM 879 CD1 TYR A 123 12.610 14.702 15.627 1.00 16.87 C ATOM 880 CD2 TYR A 123 10.413 14.613 16.529 1.00 16.41 C ATOM 881 CE1 TYR A 123 13.143 14.610 16.912 1.00 16.90 C ATOM 882 CE2 TYR A 123 10.942 14.530 17.823 1.00 16.51 C ATOM 883 CZ TYR A 123 12.307 14.526 18.003 1.00 16.74 C ATOM 884 OH TYR A 123 12.881 14.432 19.271 1.00 17.13 O ATOM 885 HH TYR A 123 13.867 14.446 19.187 1.00 0.00 H ATOM 886 H TYR A 123 8.780 16.597 14.396 1.00 0.00 H ATOM 887 N ASN A 124 9.607 17.015 11.386 1.00 18.47 N ATOM 888 CA ASN A 124 9.350 17.080 9.931 1.00 19.45 C ATOM 889 C ASN A 124 9.003 15.688 9.387 1.00 18.17 C ATOM 890 O ASN A 124 9.452 15.306 8.323 1.00 18.15 O ATOM 891 CB ASN A 124 10.551 17.697 9.174 1.00 21.24 C ATOM 892 CG ASN A 124 11.020 19.026 9.774 1.00 23.06 C ATOM 893 OD1 ASN A 124 10.234 19.960 9.941 1.00 24.68 O ATOM 894 ND2 ASN A 124 12.319 19.122 10.094 1.00 24.21 N ATOM 895 HD22 ASN A 124 12.954 18.313 9.939 1.00 0.00 H ATOM 896 HD21 ASN A 124 12.691 20.006 10.497 1.00 0.00 H ATOM 897 H ASN A 124 9.009 17.583 12.019 1.00 0.00 H ATOM 898 N VAL A 125 8.191 14.942 10.148 1.00 17.01 N ATOM 899 CA VAL A 125 7.722 13.605 9.776 1.00 15.93 C ATOM 900 C VAL A 125 6.778 13.683 8.569 1.00 16.19 C ATOM 901 O VAL A 125 5.755 14.383 8.604 1.00 16.16 O ATOM 902 CB VAL A 125 6.981 12.925 10.954 1.00 15.10 C ATOM 903 CG1 VAL A 125 6.207 11.684 10.528 1.00 14.86 C ATOM 904 CG2 VAL A 125 7.965 12.565 12.044 1.00 14.63 C ATOM 905 H VAL A 125 7.875 15.336 11.057 1.00 0.00 H ATOM 906 N LYS A 126 7.145 12.973 7.505 1.00 16.11 N ATOM 907 CA LYS A 126 6.327 12.866 6.306 1.00 16.48 C ATOM 908 C LYS A 126 5.847 11.435 6.061 1.00 15.48 C ATOM 909 O LYS A 126 5.198 11.171 5.048 1.00 15.44 O ATOM 910 CB LYS A 126 7.121 13.361 5.107 1.00 17.99 C ATOM 911 CG LYS A 126 7.489 14.839 5.190 1.00 19.27 C ATOM 912 CD LYS A 126 7.751 15.382 3.798 1.00 20.88 C ATOM 913 CE LYS A 126 8.586 16.639 3.838 1.00 22.23 C ATOM 914 NZ LYS A 126 7.886 17.725 4.585 1.00 23.10 N ATOM 915 HZ1 LYS A 126 6.983 17.940 4.117 1.00 0.00 H ATOM 916 HZ2 LYS A 126 7.706 17.413 5.561 1.00 0.00 H ATOM 917 HZ3 LYS A 126 8.483 18.577 4.596 1.00 0.00 H ATOM 918 H LYS A 126 8.056 12.473 7.531 1.00 0.00 H ATOM 919 N PHE A 127 6.170 10.512 6.967 1.00 14.34 N ATOM 920 CA PHE A 127 5.662 9.145 6.882 1.00 13.81 C ATOM 921 C PHE A 127 4.293 9.078 7.574 1.00 13.60 C ATOM 922 O PHE A 127 3.715 10.113 7.909 1.00 13.74 O ATOM 923 CB PHE A 127 6.689 8.109 7.364 1.00 13.31 C ATOM 924 CG PHE A 127 7.258 8.361 8.752 1.00 12.90 C ATOM 925 CD1 PHE A 127 6.536 8.024 9.907 1.00 12.54 C ATOM 926 CD2 PHE A 127 8.531 8.901 8.896 1.00 13.02 C ATOM 927 CE1 PHE A 127 7.076 8.256 11.174 1.00 12.27 C ATOM 928 CE2 PHE A 127 9.082 9.117 10.157 1.00 12.80 C ATOM 929 CZ PHE A 127 8.350 8.801 11.298 1.00 12.49 C ATOM 930 H PHE A 127 6.799 10.771 7.754 1.00 0.00 H ATOM 931 N ASP A 128 3.744 7.884 7.759 1.00 13.28 N ATOM 932 CA ASP A 128 2.349 7.754 8.141 1.00 13.63 C ATOM 933 C ASP A 128 2.176 7.549 9.644 1.00 13.24 C ATOM 934 O ASP A 128 2.672 6.572 10.216 1.00 12.78 O ATOM 935 CB ASP A 128 1.730 6.636 7.322 1.00 14.03 C ATOM 936 CG ASP A 128 1.867 6.891 5.819 1.00 14.87 C ATOM 937 OD1 ASP A 128 1.744 8.064 5.411 1.00 15.47 O ATOM 938 OD2 ASP A 128 2.142 5.945 5.069 1.00 15.06 O ATOM 939 H ASP A 128 4.321 7.029 7.628 1.00 0.00 H ATOM 940 N MET A 129 1.493 8.504 10.268 1.00 13.48 N ATOM 941 CA MET A 129 1.214 8.481 11.698 1.00 13.34 C ATOM 942 C MET A 129 -0.178 7.919 11.874 1.00 13.30 C ATOM 943 O MET A 129 -1.106 8.317 11.162 1.00 13.89 O ATOM 944 CB MET A 129 1.276 9.894 12.296 1.00 13.98 C ATOM 945 CG MET A 129 2.660 10.525 12.253 1.00 14.24 C ATOM 946 SD MET A 129 3.896 9.728 13.308 1.00 14.36 S ATOM 947 CE MET A 129 3.180 9.980 14.931 1.00 14.63 C ATOM 948 H MET A 129 1.141 9.307 9.708 1.00 0.00 H ATOM 949 N PHE A 130 -0.320 7.033 12.848 1.00 12.68 N ATOM 950 CA PHE A 130 -1.594 6.398 13.180 1.00 12.91 C ATOM 951 C PHE A 130 -2.120 6.855 14.541 1.00 13.17 C ATOM 952 O PHE A 130 -1.382 7.459 15.336 1.00 12.99 O ATOM 953 CB PHE A 130 -1.442 4.868 13.081 1.00 12.43 C ATOM 954 CG PHE A 130 -1.275 4.406 11.683 1.00 12.41 C ATOM 955 CD1 PHE A 130 -0.021 4.445 11.069 1.00 12.07 C ATOM 956 CD2 PHE A 130 -2.388 4.038 10.917 1.00 12.97 C ATOM 957 CE1 PHE A 130 0.122 4.090 9.742 1.00 12.22 C ATOM 958 CE2 PHE A 130 -2.249 3.670 9.581 1.00 13.03 C ATOM 959 CZ PHE A 130 -0.989 3.691 8.999 1.00 12.80 C ATOM 960 H PHE A 130 0.519 6.775 13.406 1.00 0.00 H ATOM 961 N SER A 131 -3.404 6.595 14.784 1.00 13.78 N ATOM 962 CA SER A 131 -4.022 6.891 16.074 1.00 14.37 C ATOM 963 C SER A 131 -3.420 6.001 17.148 1.00 13.70 C ATOM 964 O SER A 131 -3.035 4.861 16.873 1.00 13.18 O ATOM 965 CB SER A 131 -5.549 6.701 16.038 1.00 15.37 C ATOM 966 OG SER A 131 -6.159 7.789 15.368 1.00 16.57 O ATOM 967 HG SER A 131 -5.815 7.839 14.441 1.00 0.00 H ATOM 968 H SER A 131 -3.983 6.169 14.033 1.00 0.00 H ATOM 969 N LYS A 132 -3.334 6.533 18.363 1.00 13.95 N ATOM 970 CA LYS A 132 -2.769 5.790 19.504 1.00 13.76 C ATOM 971 C LYS A 132 -3.503 4.472 19.742 1.00 13.95 C ATOM 972 O LYS A 132 -4.730 4.424 19.766 1.00 14.18 O ATOM 973 CB LYS A 132 -2.840 6.635 20.770 1.00 14.36 C ATOM 974 CG LYS A 132 -2.082 6.074 21.968 1.00 14.31 C ATOM 975 CD LYS A 132 -2.562 6.675 23.285 1.00 15.25 C ATOM 976 CE LYS A 132 -2.493 8.185 23.287 1.00 15.62 C ATOM 977 NZ LYS A 132 -2.520 8.798 24.637 1.00 16.17 N ATOM 978 HZ1 LYS A 132 -3.403 8.534 25.119 1.00 0.00 H ATOM 979 HZ2 LYS A 132 -1.707 8.456 25.188 1.00 0.00 H ATOM 980 HZ3 LYS A 132 -2.469 9.833 24.548 1.00 0.00 H ATOM 981 H LYS A 132 -3.676 7.504 18.513 1.00 0.00 H ATOM 982 N ILE A 133 -2.730 3.419 19.966 1.00 13.77 N ATOM 983 CA ILE A 133 -3.259 2.086 20.187 1.00 14.22 C ATOM 984 C ILE A 133 -2.588 1.434 21.385 1.00 14.33 C ATOM 985 O ILE A 133 -1.634 1.960 21.934 1.00 13.83 O ATOM 986 CB ILE A 133 -3.030 1.177 18.957 1.00 14.00 C ATOM 987 CG1 ILE A 133 -1.552 1.134 18.549 1.00 13.26 C ATOM 988 CG2 ILE A 133 -3.900 1.613 17.790 1.00 14.37 C ATOM 989 CD1 ILE A 133 -1.210 -0.058 17.675 1.00 13.07 C ATOM 990 H ILE A 133 -1.699 3.554 19.984 1.00 0.00 H ATOM 991 N GLU A 134 -3.117 0.285 21.773 1.00 14.85 N ATOM 992 CA GLU A 134 -2.395 -0.651 22.627 1.00 14.89 C ATOM 993 C GLU A 134 -1.763 -1.668 21.699 1.00 14.27 C ATOM 994 O GLU A 134 -2.331 -2.002 20.643 1.00 14.07 O ATOM 995 CB GLU A 134 -3.353 -1.300 23.616 1.00 16.19 C ATOM 996 CG GLU A 134 -3.874 -0.254 24.577 1.00 17.28 C ATOM 997 CD GLU A 134 -4.849 -0.751 25.613 1.00 18.77 C ATOM 998 OE1 GLU A 134 -5.359 -1.884 25.525 1.00 19.59 O ATOM 999 OE2 GLU A 134 -5.111 0.042 26.534 1.00 19.84 O ATOM 1000 H GLU A 134 -4.078 0.042 21.459 1.00 0.00 H ATOM 1001 N VAL A 135 -0.571 -2.125 22.073 1.00 13.71 N ATOM 1002 CA VAL A 135 0.161 -3.145 21.313 1.00 13.33 C ATOM 1003 C VAL A 135 0.270 -4.492 22.028 1.00 13.59 C ATOM 1004 O VAL A 135 0.608 -5.490 21.374 1.00 13.70 O ATOM 1005 CB VAL A 135 1.578 -2.664 20.935 1.00 12.67 C ATOM 1006 CG1 VAL A 135 1.510 -1.484 19.980 1.00 12.43 C ATOM 1007 CG2 VAL A 135 2.396 -2.314 22.182 1.00 12.64 C ATOM 1008 H VAL A 135 -0.140 -1.744 22.939 1.00 0.00 H ATOM 1009 N ASN A 136 0.011 -4.511 23.345 1.00 13.88 N ATOM 1010 CA ASN A 136 -0.015 -5.733 24.156 1.00 14.47 C ATOM 1011 C ASN A 136 -1.380 -5.881 24.803 1.00 15.61 C ATOM 1012 O ASN A 136 -2.097 -4.898 24.970 1.00 15.39 O ATOM 1013 CB ASN A 136 1.030 -5.680 25.268 1.00 14.21 C ATOM 1014 CG ASN A 136 2.464 -5.852 24.766 1.00 13.51 C ATOM 1015 OD1 ASN A 136 2.726 -6.453 23.719 1.00 13.04 O ATOM 1016 ND2 ASN A 136 3.406 -5.305 25.531 1.00 13.17 N ATOM 1017 HD22 ASN A 136 3.142 -4.807 26.405 1.00 0.00 H ATOM 1018 HD21 ASN A 136 4.406 -5.375 25.254 1.00 0.00 H ATOM 1019 H ASN A 136 -0.183 -3.606 23.818 1.00 0.00 H ATOM 1020 N GLY A 137 -1.707 -7.109 25.179 1.00 16.91 N ATOM 1021 CA GLY A 137 -2.938 -7.407 25.879 1.00 18.67 C ATOM 1022 C GLY A 137 -4.081 -7.717 24.944 1.00 19.99 C ATOM 1023 O GLY A 137 -3.944 -7.668 23.713 1.00 19.46 O ATOM 1024 H GLY A 137 -1.054 -7.889 24.963 1.00 0.00 H ATOM 1025 N ASP A 138 -5.227 -8.026 25.544 1.00 21.99 N ATOM 1026 CA ASP A 138 -6.389 -8.518 24.808 1.00 23.75 C ATOM 1027 C ASP A 138 -7.012 -7.444 23.900 1.00 23.54 C ATOM 1028 O ASP A 138 -7.705 -7.795 22.957 1.00 24.28 O ATOM 1029 CB ASP A 138 -7.480 -9.087 25.770 1.00 25.87 C ATOM 1030 CG ASP A 138 -7.044 -10.372 26.537 1.00 27.48 C ATOM 1031 OD1 ASP A 138 -6.121 -11.090 26.080 1.00 27.62 O ATOM 1032 OD2 ASP A 138 -7.655 -10.686 27.608 1.00 28.75 O ATOM 1033 H ASP A 138 -5.299 -7.913 26.575 1.00 0.00 H ATOM 1034 N ASP A 139 -6.779 -6.153 24.173 1.00 22.90 N ATOM 1035 CA ASP A 139 -7.309 -5.062 23.329 1.00 22.71 C ATOM 1036 C ASP A 139 -6.293 -4.486 22.345 1.00 20.58 C ATOM 1037 O ASP A 139 -6.533 -3.426 21.763 1.00 20.15 O ATOM 1038 CB ASP A 139 -7.841 -3.924 24.199 1.00 23.93 C ATOM 1039 CG ASP A 139 -9.047 -4.320 24.998 1.00 26.35 C ATOM 1040 OD1 ASP A 139 -9.819 -5.203 24.565 1.00 27.58 O ATOM 1041 OD2 ASP A 139 -9.235 -3.727 26.077 1.00 27.98 O ATOM 1042 H ASP A 139 -6.206 -5.911 25.007 1.00 0.00 H ATOM 1043 N ALA A 140 -5.160 -5.157 22.150 1.00 19.10 N ATOM 1044 CA ALA A 140 -4.152 -4.655 21.216 1.00 17.58 C ATOM 1045 C ALA A 140 -4.696 -4.663 19.797 1.00 17.06 C ATOM 1046 O ALA A 140 -5.572 -5.466 19.460 1.00 17.16 O ATOM 1047 CB ALA A 140 -2.863 -5.460 21.286 1.00 17.01 C ATOM 1048 H ALA A 140 -4.990 -6.044 22.665 1.00 0.00 H ATOM 1049 N HIS A 141 -4.193 -3.744 18.984 1.00 15.99 N ATOM 1050 CA HIS A 141 -4.656 -3.634 17.613 1.00 15.87 C ATOM 1051 C HIS A 141 -4.359 -4.974 16.912 1.00 15.68 C ATOM 1052 O HIS A 141 -3.293 -5.557 17.138 1.00 14.98 O ATOM 1053 CB HIS A 141 -3.998 -2.449 16.897 1.00 15.32 C ATOM 1054 CG HIS A 141 -4.600 -2.152 15.556 1.00 15.73 C ATOM 1055 ND1 HIS A 141 -4.297 -2.892 14.442 1.00 15.55 N ATOM 1056 CD2 HIS A 141 -5.488 -1.211 15.149 1.00 16.17 C ATOM 1057 CE1 HIS A 141 -4.978 -2.438 13.405 1.00 16.05 C ATOM 1058 NE2 HIS A 141 -5.703 -1.409 13.806 1.00 16.27 N ATOM 1059 H HIS A 141 -3.459 -3.095 19.333 1.00 0.00 H ATOM 1060 N PRO A 142 -5.323 -5.500 16.127 1.00 16.01 N ATOM 1061 CA PRO A 142 -5.146 -6.830 15.506 1.00 16.02 C ATOM 1062 C PRO A 142 -3.886 -6.978 14.660 1.00 15.17 C ATOM 1063 O PRO A 142 -3.319 -8.060 14.605 1.00 15.22 O ATOM 1064 CB PRO A 142 -6.364 -6.961 14.594 1.00 16.86 C ATOM 1065 CG PRO A 142 -7.376 -6.039 15.155 1.00 17.39 C ATOM 1066 CD PRO A 142 -6.652 -4.926 15.827 1.00 16.74 C ATOM 1067 N LEU A 143 -3.473 -5.915 13.968 1.00 14.35 N ATOM 1068 CA LEU A 143 -2.170 -5.918 13.281 1.00 13.70 C ATOM 1069 C LEU A 143 -1.040 -6.296 14.208 1.00 13.11 C ATOM 1070 O LEU A 143 -0.225 -7.129 13.832 1.00 13.03 O ATOM 1071 CB LEU A 143 -1.828 -4.586 12.614 1.00 13.50 C ATOM 1072 CG LEU A 143 -0.463 -4.483 11.886 1.00 13.27 C ATOM 1073 CD1 LEU A 143 -0.403 -5.367 10.648 1.00 13.78 C ATOM 1074 CD2 LEU A 143 -0.188 -3.026 11.527 1.00 13.07 C ATOM 1075 H LEU A 143 -4.080 -5.072 13.913 1.00 0.00 H ATOM 1076 N TRP A 144 -1.003 -5.675 15.389 1.00 12.65 N ATOM 1077 CA TRP A 144 0.049 -5.934 16.363 1.00 12.39 C ATOM 1078 C TRP A 144 -0.047 -7.317 16.945 1.00 12.81 C ATOM 1079 O TRP A 144 0.961 -7.989 17.092 1.00 12.99 O ATOM 1080 CB TRP A 144 0.097 -4.836 17.436 1.00 12.03 C ATOM 1081 CG TRP A 144 0.736 -3.620 16.868 1.00 11.60 C ATOM 1082 CD1 TRP A 144 0.168 -2.724 16.006 1.00 11.64 C ATOM 1083 CD2 TRP A 144 2.111 -3.205 17.026 1.00 11.17 C ATOM 1084 NE1 TRP A 144 1.097 -1.765 15.652 1.00 11.29 N ATOM 1085 CE2 TRP A 144 2.285 -2.035 16.264 1.00 10.81 C ATOM 1086 CE3 TRP A 144 3.201 -3.705 17.751 1.00 10.92 C ATOM 1087 CZ2 TRP A 144 3.501 -1.346 16.207 1.00 10.48 C ATOM 1088 CZ3 TRP A 144 4.413 -3.016 17.694 1.00 10.66 C ATOM 1089 CH2 TRP A 144 4.554 -1.859 16.914 1.00 10.42 C ATOM 1090 HE1 TRP A 144 0.918 -0.961 15.017 1.00 0.00 H ATOM 1091 H TRP A 144 -1.747 -4.986 15.621 1.00 0.00 H ATOM 1092 N LYS A 145 -1.262 -7.773 17.252 1.00 13.47 N ATOM 1093 CA LYS A 145 -1.441 -9.177 17.627 1.00 14.06 C ATOM 1094 C LYS A 145 -0.848 -10.124 16.568 1.00 13.98 C ATOM 1095 O LYS A 145 -0.176 -11.105 16.902 1.00 14.17 O ATOM 1096 CB LYS A 145 -2.926 -9.492 17.819 1.00 14.96 C ATOM 1097 CG LYS A 145 -3.554 -8.825 19.026 1.00 15.31 C ATOM 1098 CD LYS A 145 -4.980 -9.336 19.197 1.00 16.40 C ATOM 1099 CE LYS A 145 -5.679 -8.716 20.400 1.00 17.00 C ATOM 1100 NZ LYS A 145 -7.084 -9.211 20.495 1.00 18.38 N ATOM 1101 HZ1 LYS A 145 -7.601 -8.952 19.631 1.00 0.00 H ATOM 1102 HZ2 LYS A 145 -7.079 -10.246 20.600 1.00 0.00 H ATOM 1103 HZ3 LYS A 145 -7.547 -8.779 21.320 1.00 0.00 H ATOM 1104 H LYS A 145 -2.081 -7.133 17.225 1.00 0.00 H ATOM 1105 N TRP A 146 -1.116 -9.832 15.297 1.00 13.71 N ATOM 1106 CA TRP A 146 -0.672 -10.676 14.191 1.00 13.96 C ATOM 1107 C TRP A 146 0.862 -10.614 14.026 1.00 13.42 C ATOM 1108 O TRP A 146 1.509 -11.646 13.920 1.00 13.75 O ATOM 1109 CB TRP A 146 -1.396 -10.279 12.889 1.00 14.20 C ATOM 1110 CG TRP A 146 -0.916 -11.001 11.688 1.00 14.63 C ATOM 1111 CD1 TRP A 146 -1.289 -12.255 11.269 1.00 15.45 C ATOM 1112 CD2 TRP A 146 0.061 -10.537 10.745 1.00 14.31 C ATOM 1113 NE1 TRP A 146 -0.598 -12.591 10.124 1.00 15.66 N ATOM 1114 CE2 TRP A 146 0.235 -11.560 9.784 1.00 14.90 C ATOM 1115 CE3 TRP A 146 0.790 -9.351 10.609 1.00 13.60 C ATOM 1116 CZ2 TRP A 146 1.123 -11.432 8.703 1.00 14.96 C ATOM 1117 CZ3 TRP A 146 1.675 -9.227 9.526 1.00 13.58 C ATOM 1118 CH2 TRP A 146 1.829 -10.259 8.598 1.00 14.17 C ATOM 1119 HE1 TRP A 146 -0.695 -13.485 9.602 1.00 0.00 H ATOM 1120 H TRP A 146 -1.661 -8.972 15.084 1.00 0.00 H ATOM 1121 N MET A 147 1.433 -9.414 14.009 1.00 12.75 N ATOM 1122 CA MET A 147 2.886 -9.263 13.793 1.00 12.63 C ATOM 1123 C MET A 147 3.711 -10.054 14.811 1.00 12.69 C ATOM 1124 O MET A 147 4.678 -10.733 14.445 1.00 13.16 O ATOM 1125 CB MET A 147 3.304 -7.795 13.848 1.00 12.02 C ATOM 1126 CG MET A 147 2.844 -6.988 12.641 1.00 12.11 C ATOM 1127 SD MET A 147 3.652 -5.388 12.536 1.00 12.03 S ATOM 1128 CE MET A 147 3.193 -4.669 14.106 1.00 11.64 C ATOM 1129 H MET A 147 0.846 -8.567 14.150 1.00 0.00 H ATOM 1130 N LYS A 148 3.298 -9.979 16.074 1.00 12.60 N ATOM 1131 CA LYS A 148 4.028 -10.586 17.201 1.00 12.78 C ATOM 1132 C LYS A 148 4.189 -12.103 17.135 1.00 13.54 C ATOM 1133 O LYS A 148 5.137 -12.637 17.727 1.00 14.02 O ATOM 1134 CB LYS A 148 3.366 -10.216 18.537 1.00 12.71 C ATOM 1135 CG LYS A 148 3.489 -8.751 18.915 1.00 12.12 C ATOM 1136 CD LYS A 148 2.996 -8.469 20.331 1.00 12.39 C ATOM 1137 CE LYS A 148 1.508 -8.662 20.510 1.00 13.03 C ATOM 1138 NZ LYS A 148 1.102 -8.263 21.887 1.00 13.26 N ATOM 1139 HZ1 LYS A 148 1.609 -8.850 22.580 1.00 0.00 H ATOM 1140 HZ2 LYS A 148 1.338 -7.262 22.040 1.00 0.00 H ATOM 1141 HZ3 LYS A 148 0.077 -8.400 21.998 1.00 0.00 H ATOM 1142 H LYS A 148 2.416 -9.466 16.276 1.00 0.00 H ATOM 1143 N ILE A 149 3.287 -12.800 16.448 1.00 14.15 N ATOM 1144 CA ILE A 149 3.348 -14.272 16.334 1.00 14.99 C ATOM 1145 C ILE A 149 3.873 -14.779 14.976 1.00 15.34 C ATOM 1146 O ILE A 149 3.941 -15.989 14.740 1.00 15.96 O ATOM 1147 CB ILE A 149 1.993 -14.935 16.690 1.00 15.69 C ATOM 1148 CG1 ILE A 149 0.896 -14.585 15.685 1.00 15.74 C ATOM 1149 CG2 ILE A 149 1.599 -14.549 18.115 1.00 15.70 C ATOM 1150 CD1 ILE A 149 -0.226 -15.588 15.645 1.00 16.67 C ATOM 1151 H ILE A 149 2.513 -12.291 15.975 1.00 0.00 H ATOM 1152 N GLN A 150 4.227 -13.859 14.082 1.00 15.00 N ATOM 1153 CA GLN A 150 4.757 -14.242 12.785 1.00 15.55 C ATOM 1154 C GLN A 150 6.088 -14.986 12.952 1.00 16.08 C ATOM 1155 O GLN A 150 6.836 -14.700 13.884 1.00 15.51 O ATOM 1156 CB GLN A 150 4.919 -13.010 11.873 1.00 14.95 C ATOM 1157 CG GLN A 150 3.584 -12.390 11.474 1.00 14.94 C ATOM 1158 CD GLN A 150 2.579 -13.443 11.082 1.00 15.83 C ATOM 1159 OE1 GLN A 150 2.765 -14.134 10.076 1.00 16.63 O ATOM 1160 NE2 GLN A 150 1.532 -13.608 11.881 1.00 16.02 N ATOM 1161 HE22 GLN A 150 1.416 -13.002 12.718 1.00 0.00 H ATOM 1162 HE21 GLN A 150 0.827 -14.343 11.670 1.00 0.00 H ATOM 1163 H GLN A 150 4.123 -12.851 14.315 1.00 0.00 H ATOM 1164 N PRO A 151 6.372 -15.961 12.070 1.00 17.28 N ATOM 1165 CA PRO A 151 7.658 -16.667 12.093 1.00 18.02 C ATOM 1166 C PRO A 151 8.876 -15.767 12.327 1.00 17.97 C ATOM 1167 O PRO A 151 9.674 -16.044 13.213 1.00 17.70 O ATOM 1168 CB PRO A 151 7.716 -17.299 10.712 1.00 18.69 C ATOM 1169 CG PRO A 151 6.296 -17.620 10.416 1.00 18.91 C ATOM 1170 CD PRO A 151 5.487 -16.499 11.022 1.00 17.86 C ATOM 1171 N LYS A 152 8.993 -14.686 11.559 1.00 18.07 N ATOM 1172 CA LYS A 152 10.133 -13.768 11.686 1.00 18.37 C ATOM 1173 C LYS A 152 9.803 -12.528 12.530 1.00 17.37 C ATOM 1174 O LYS A 152 10.620 -11.619 12.633 1.00 17.52 O ATOM 1175 CB LYS A 152 10.640 -13.386 10.287 1.00 19.35 C ATOM 1176 CG LYS A 152 11.151 -14.561 9.454 1.00 21.27 C ATOM 1177 CD LYS A 152 12.575 -14.924 9.865 1.00 22.55 C ATOM 1178 CE LYS A 152 13.064 -16.286 9.383 1.00 24.32 C ATOM 1179 NZ LYS A 152 12.626 -16.616 8.009 1.00 25.57 N ATOM 1180 HZ1 LYS A 152 11.587 -16.625 7.971 1.00 0.00 H ATOM 1181 HZ2 LYS A 152 12.992 -15.901 7.349 1.00 0.00 H ATOM 1182 HZ3 LYS A 152 12.992 -17.553 7.745 1.00 0.00 H ATOM 1183 H LYS A 152 8.258 -14.486 10.851 1.00 0.00 H ATOM 1184 N GLY A 153 8.616 -12.505 13.147 1.00 17.04 N ATOM 1185 CA GLY A 153 8.199 -11.460 14.098 1.00 16.08 C ATOM 1186 C GLY A 153 8.223 -11.872 15.573 1.00 16.07 C ATOM 1187 O GLY A 153 7.862 -11.075 16.435 1.00 15.86 O ATOM 1188 H GLY A 153 7.946 -13.273 12.942 1.00 0.00 H ATOM 1189 N LYS A 154 8.670 -13.097 15.874 1.00 16.36 N ATOM 1190 CA LYS A 154 8.707 -13.587 17.260 1.00 16.37 C ATOM 1191 C LYS A 154 9.644 -12.700 18.085 1.00 15.44 C ATOM 1192 O LYS A 154 10.645 -12.189 17.595 1.00 14.99 O ATOM 1193 CB LYS A 154 9.223 -15.032 17.353 1.00 17.51 C ATOM 1194 CG LYS A 154 8.435 -16.089 16.587 1.00 18.44 C ATOM 1195 CD LYS A 154 6.987 -16.242 17.042 1.00 18.49 C ATOM 1196 CE LYS A 154 6.428 -17.601 16.591 1.00 19.57 C ATOM 1197 NZ LYS A 154 4.934 -17.733 16.591 1.00 19.67 N ATOM 1198 HZ1 LYS A 154 4.574 -17.578 17.554 1.00 0.00 H ATOM 1199 HZ2 LYS A 154 4.525 -17.025 15.948 1.00 0.00 H ATOM 1200 HZ3 LYS A 154 4.671 -18.687 16.270 1.00 0.00 H ATOM 1201 H LYS A 154 9.000 -13.718 15.108 1.00 0.00 H ATOM 1202 N GLY A 155 9.329 -12.546 19.359 1.00 14.91 N ATOM 1203 CA GLY A 155 10.153 -11.707 20.202 1.00 14.08 C ATOM 1204 C GLY A 155 11.212 -12.555 20.839 1.00 14.29 C ATOM 1205 O GLY A 155 11.331 -13.764 20.552 1.00 14.85 O ATOM 1206 H GLY A 155 8.494 -13.025 19.753 1.00 0.00 H ATOM 1207 N ILE A 156 11.982 -11.930 21.715 1.00 13.55 N ATOM 1208 CA ILE A 156 12.891 -12.640 22.585 1.00 13.89 C ATOM 1209 C ILE A 156 12.368 -12.419 23.991 1.00 13.66 C ATOM 1210 O ILE A 156 12.151 -11.286 24.406 1.00 12.75 O ATOM 1211 CB ILE A 156 14.340 -12.169 22.436 1.00 13.99 C ATOM 1212 CG1 ILE A 156 14.819 -12.477 21.014 1.00 14.23 C ATOM 1213 CG2 ILE A 156 15.251 -12.860 23.450 1.00 14.67 C ATOM 1214 CD1 ILE A 156 16.268 -12.129 20.774 1.00 14.61 C ATOM 1215 H ILE A 156 11.931 -10.893 21.779 1.00 0.00 H ATOM 1216 N LEU A 157 12.219 -13.541 24.698 1.00 14.27 N ATOM 1217 CA LEU A 157 11.525 -13.652 25.983 1.00 14.62 C ATOM 1218 C LEU A 157 10.040 -13.477 25.766 1.00 14.34 C ATOM 1219 O LEU A 157 9.430 -12.566 26.278 1.00 13.81 O ATOM 1220 CB LEU A 157 12.062 -12.680 27.019 1.00 14.39 C ATOM 1221 CG LEU A 157 13.552 -12.790 27.298 1.00 14.75 C ATOM 1222 CD1 LEU A 157 13.961 -11.770 28.347 1.00 14.63 C ATOM 1223 CD2 LEU A 157 13.906 -14.183 27.761 1.00 15.81 C ATOM 1224 H LEU A 157 12.631 -14.411 24.303 1.00 0.00 H ATOM 1225 N GLY A 158 9.473 -14.390 24.995 1.00 14.75 N ATOM 1226 CA GLY A 158 8.095 -14.260 24.537 1.00 14.76 C ATOM 1227 C GLY A 158 7.936 -13.142 23.525 1.00 13.92 C ATOM 1228 O GLY A 158 8.884 -12.424 23.194 1.00 13.06 O ATOM 1229 H GLY A 158 10.025 -15.223 24.708 1.00 0.00 H ATOM 1230 N ASN A 159 6.706 -13.008 23.043 1.00 14.06 N ATOM 1231 CA ASN A 159 6.405 -12.180 21.896 1.00 13.53 C ATOM 1232 C ASN A 159 5.838 -10.813 22.210 1.00 13.03 C ATOM 1233 O ASN A 159 5.711 -9.999 21.301 1.00 12.55 O ATOM 1234 CB ASN A 159 5.418 -12.909 21.003 1.00 14.11 C ATOM 1235 CG ASN A 159 5.981 -14.193 20.445 1.00 14.89 C ATOM 1236 OD1 ASN A 159 7.139 -14.244 20.045 1.00 14.99 O ATOM 1237 ND2 ASN A 159 5.151 -15.239 20.396 1.00 15.69 N ATOM 1238 HD22 ASN A 159 4.177 -15.147 20.748 1.00 0.00 H ATOM 1239 HD21 ASN A 159 5.479 -16.145 20.006 1.00 0.00 H ATOM 1240 H ASN A 159 5.929 -13.518 23.509 1.00 0.00 H ATOM 1241 N ALA A 160 5.518 -10.547 23.475 1.00 13.12 N ATOM 1242 CA ALA A 160 5.066 -9.220 23.888 1.00 12.59 C ATOM 1243 C ALA A 160 6.067 -8.156 23.473 1.00 11.71 C ATOM 1244 O ALA A 160 7.270 -8.399 23.464 1.00 11.69 O ATOM 1245 CB ALA A 160 4.838 -9.163 25.385 1.00 13.21 C ATOM 1246 H ALA A 160 5.592 -11.302 24.186 1.00 0.00 H ATOM 1247 N ILE A 161 5.549 -6.996 23.087 1.00 11.14 N ATOM 1248 CA ILE A 161 6.362 -5.821 22.827 1.00 10.48 C ATOM 1249 C ILE A 161 6.946 -5.462 24.193 1.00 10.73 C ATOM 1250 O ILE A 161 6.211 -5.442 25.190 1.00 10.90 O ATOM 1251 CB ILE A 161 5.519 -4.643 22.280 1.00 10.19 C ATOM 1252 CG1 ILE A 161 4.803 -5.032 20.982 1.00 10.18 C ATOM 1253 CG2 ILE A 161 6.385 -3.401 22.059 1.00 9.67 C ATOM 1254 CD1 ILE A 161 5.677 -5.680 19.931 1.00 10.00 C ATOM 1255 H ILE A 161 4.518 -6.926 22.966 1.00 0.00 H ATOM 1256 N LYS A 162 8.250 -5.203 24.255 1.00 10.62 N ATOM 1257 CA LYS A 162 8.920 -4.988 25.545 1.00 10.92 C ATOM 1258 C LYS A 162 8.994 -3.530 25.967 1.00 10.84 C ATOM 1259 O LYS A 162 8.982 -3.223 27.175 1.00 11.09 O ATOM 1260 CB LYS A 162 10.338 -5.572 25.523 1.00 11.15 C ATOM 1261 CG LYS A 162 10.381 -7.041 25.130 1.00 11.54 C ATOM 1262 CD LYS A 162 9.591 -7.937 26.064 1.00 12.15 C ATOM 1263 CE LYS A 162 9.852 -9.432 25.814 1.00 12.73 C ATOM 1264 NZ LYS A 162 9.315 -9.955 24.518 1.00 12.49 N ATOM 1265 HZ1 LYS A 162 8.284 -9.822 24.492 1.00 0.00 H ATOM 1266 HZ2 LYS A 162 9.752 -9.438 23.729 1.00 0.00 H ATOM 1267 HZ3 LYS A 162 9.537 -10.968 24.436 1.00 0.00 H ATOM 1268 H LYS A 162 8.804 -5.152 23.376 1.00 0.00 H ATOM 1269 N TRP A 163 9.141 -2.635 25.003 1.00 10.33 N ATOM 1270 CA TRP A 163 9.202 -1.210 25.303 1.00 10.30 C ATOM 1271 C TRP A 163 8.890 -0.418 24.038 1.00 9.81 C ATOM 1272 O TRP A 163 8.594 -1.002 23.003 1.00 9.40 O ATOM 1273 CB TRP A 163 10.578 -0.840 25.914 1.00 10.58 C ATOM 1274 CG TRP A 163 10.542 0.384 26.767 1.00 10.89 C ATOM 1275 CD1 TRP A 163 11.138 1.577 26.513 1.00 10.81 C ATOM 1276 CD2 TRP A 163 9.831 0.542 27.993 1.00 11.49 C ATOM 1277 NE1 TRP A 163 10.861 2.473 27.508 1.00 11.28 N ATOM 1278 CE2 TRP A 163 10.046 1.868 28.428 1.00 11.67 C ATOM 1279 CE3 TRP A 163 9.035 -0.314 28.771 1.00 11.97 C ATOM 1280 CZ2 TRP A 163 9.495 2.365 29.606 1.00 12.32 C ATOM 1281 CZ3 TRP A 163 8.481 0.176 29.936 1.00 12.60 C ATOM 1282 CH2 TRP A 163 8.715 1.502 30.347 1.00 12.70 C ATOM 1283 HE1 TRP A 163 11.211 3.451 27.558 1.00 0.00 H ATOM 1284 H TRP A 163 9.214 -2.954 24.016 1.00 0.00 H ATOM 1285 N ASN A 164 8.907 0.905 24.165 1.00 9.57 N ATOM 1286 CA ASN A 164 8.708 1.821 23.063 1.00 9.39 C ATOM 1287 C ASN A 164 9.727 1.595 21.967 1.00 9.14 C ATOM 1288 O ASN A 164 10.844 1.139 22.220 1.00 9.23 O ATOM 1289 CB ASN A 164 8.780 3.268 23.565 1.00 9.59 C ATOM 1290 CG ASN A 164 7.770 3.560 24.666 1.00 9.97 C ATOM 1291 OD1 ASN A 164 6.562 3.429 24.464 1.00 10.32 O ATOM 1292 ND2 ASN A 164 8.263 3.897 25.858 1.00 10.24 N ATOM 1293 HD22 ASN A 164 9.290 3.997 25.986 1.00 0.00 H ATOM 1294 HD21 ASN A 164 7.620 4.060 26.659 1.00 0.00 H ATOM 1295 H ASN A 164 9.073 1.305 25.111 1.00 0.00 H ATOM 1296 N PHE A 165 9.322 1.883 20.734 1.00 9.05 N ATOM 1297 CA PHE A 165 10.210 1.849 19.578 1.00 8.98 C ATOM 1298 C PHE A 165 10.752 0.448 19.259 1.00 9.06 C ATOM 1299 O PHE A 165 11.933 0.258 18.959 1.00 9.01 O ATOM 1300 CB PHE A 165 11.308 2.903 19.700 1.00 9.20 C ATOM 1301 CG PHE A 165 10.798 4.306 19.738 1.00 9.42 C ATOM 1302 CD1 PHE A 165 10.304 4.894 18.593 1.00 9.50 C ATOM 1303 CD2 PHE A 165 10.815 5.042 20.930 1.00 9.83 C ATOM 1304 CE1 PHE A 165 9.843 6.200 18.624 1.00 9.79 C ATOM 1305 CE2 PHE A 165 10.352 6.338 20.968 1.00 9.97 C ATOM 1306 CZ PHE A 165 9.877 6.917 19.805 1.00 9.95 C ATOM 1307 H PHE A 165 8.326 2.145 20.587 1.00 0.00 H ATOM 1308 N THR A 166 9.848 -0.531 19.293 1.00 9.21 N ATOM 1309 CA THR A 166 10.091 -1.818 18.676 1.00 9.60 C ATOM 1310 C THR A 166 9.818 -1.586 17.183 1.00 9.85 C ATOM 1311 O THR A 166 9.005 -0.733 16.827 1.00 9.93 O ATOM 1312 CB THR A 166 9.202 -2.899 19.317 1.00 9.79 C ATOM 1313 OG1 THR A 166 9.441 -2.915 20.740 1.00 9.93 O ATOM 1314 CG2 THR A 166 9.466 -4.286 18.731 1.00 10.02 C ATOM 1315 HG1 THR A 166 8.873 -3.608 21.161 1.00 0.00 H ATOM 1316 H THR A 166 8.942 -0.366 19.777 1.00 0.00 H ATOM 1317 N LYS A 167 10.548 -2.261 16.306 1.00 10.27 N ATOM 1318 CA LYS A 167 10.346 -2.065 14.858 1.00 10.46 C ATOM 1319 C LYS A 167 10.124 -3.424 14.205 1.00 11.00 C ATOM 1320 O LYS A 167 10.815 -4.400 14.535 1.00 11.47 O ATOM 1321 CB LYS A 167 11.537 -1.383 14.193 1.00 10.61 C ATOM 1322 CG LYS A 167 11.922 -0.026 14.720 1.00 10.45 C ATOM 1323 CD LYS A 167 12.948 -0.140 15.848 1.00 10.48 C ATOM 1324 CE LYS A 167 13.288 1.226 16.378 1.00 10.47 C ATOM 1325 NZ LYS A 167 14.020 1.127 17.675 1.00 10.45 N ATOM 1326 HZ1 LYS A 167 13.424 0.636 18.372 1.00 0.00 H ATOM 1327 HZ2 LYS A 167 14.902 0.593 17.534 1.00 0.00 H ATOM 1328 HZ3 LYS A 167 14.243 2.083 18.020 1.00 0.00 H ATOM 1329 H LYS A 167 11.268 -2.933 16.641 1.00 0.00 H ATOM 1330 N PHE A 168 9.177 -3.490 13.277 1.00 10.99 N ATOM 1331 CA PHE A 168 8.980 -4.678 12.470 1.00 11.46 C ATOM 1332 C PHE A 168 9.283 -4.298 11.029 1.00 11.61 C ATOM 1333 O PHE A 168 8.785 -3.284 10.548 1.00 11.50 O ATOM 1334 CB PHE A 168 7.541 -5.178 12.582 1.00 11.63 C ATOM 1335 CG PHE A 168 7.227 -5.849 13.888 1.00 11.61 C ATOM 1336 CD1 PHE A 168 7.405 -7.223 14.039 1.00 12.26 C ATOM 1337 CD2 PHE A 168 6.727 -5.126 14.943 1.00 11.47 C ATOM 1338 CE1 PHE A 168 7.099 -7.857 15.234 1.00 12.21 C ATOM 1339 CE2 PHE A 168 6.406 -5.743 16.140 1.00 11.63 C ATOM 1340 CZ PHE A 168 6.589 -7.111 16.287 1.00 12.01 C ATOM 1341 H PHE A 168 8.560 -2.667 13.125 1.00 0.00 H ATOM 1342 N LEU A 169 10.111 -5.087 10.352 1.00 11.80 N ATOM 1343 CA LEU A 169 10.345 -4.885 8.938 1.00 12.00 C ATOM 1344 C LEU A 169 9.391 -5.790 8.162 1.00 12.39 C ATOM 1345 O LEU A 169 9.307 -6.988 8.445 1.00 12.57 O ATOM 1346 CB LEU A 169 11.787 -5.215 8.569 1.00 12.39 C ATOM 1347 CG LEU A 169 12.206 -4.873 7.132 1.00 12.86 C ATOM 1348 CD1 LEU A 169 11.981 -3.395 6.813 1.00 12.59 C ATOM 1349 CD2 LEU A 169 13.672 -5.217 6.962 1.00 13.43 C ATOM 1350 H LEU A 169 10.598 -5.862 10.846 1.00 0.00 H ATOM 1351 N ILE A 170 8.728 -5.209 7.161 1.00 12.54 N ATOM 1352 CA ILE A 170 7.697 -5.873 6.374 1.00 13.12 C ATOM 1353 C ILE A 170 8.093 -5.835 4.890 1.00 13.51 C ATOM 1354 O ILE A 170 8.416 -4.776 4.359 1.00 13.38 O ATOM 1355 CB ILE A 170 6.350 -5.136 6.537 1.00 13.11 C ATOM 1356 CG1 ILE A 170 6.000 -4.950 8.011 1.00 12.80 C ATOM 1357 CG2 ILE A 170 5.227 -5.867 5.789 1.00 13.74 C ATOM 1358 CD1 ILE A 170 5.856 -6.241 8.785 1.00 13.06 C ATOM 1359 H ILE A 170 8.961 -4.223 6.928 1.00 0.00 H ATOM 1360 N ASP A 171 8.102 -6.987 4.232 1.00 13.99 N ATOM 1361 CA ASP A 171 8.492 -7.036 2.820 1.00 14.70 C ATOM 1362 C ASP A 171 7.369 -6.495 1.897 1.00 14.86 C ATOM 1363 O ASP A 171 6.293 -6.114 2.363 1.00 14.18 O ATOM 1364 CB ASP A 171 9.012 -8.434 2.440 1.00 15.39 C ATOM 1365 CG ASP A 171 7.916 -9.470 2.234 1.00 15.93 C ATOM 1366 OD1 ASP A 171 6.698 -9.148 2.127 1.00 15.77 O ATOM 1367 OD2 ASP A 171 8.308 -10.646 2.191 1.00 16.49 O ATOM 1368 H ASP A 171 7.830 -7.863 4.722 1.00 0.00 H ATOM 1369 N LYS A 172 7.632 -6.477 0.596 1.00 15.82 N ATOM 1370 CA LYS A 172 6.683 -5.932 -0.384 1.00 16.45 C ATOM 1371 C LYS A 172 5.381 -6.744 -0.476 1.00 16.83 C ATOM 1372 O LYS A 172 4.386 -6.243 -1.007 1.00 16.89 O ATOM 1373 CB LYS A 172 7.344 -5.829 -1.778 1.00 17.52 C ATOM 1374 CG LYS A 172 8.460 -4.793 -1.889 1.00 17.67 C ATOM 1375 CD LYS A 172 8.961 -4.621 -3.317 1.00 18.96 C ATOM 1376 CE LYS A 172 9.744 -5.836 -3.802 1.00 19.99 C ATOM 1377 NZ LYS A 172 10.402 -5.601 -5.117 1.00 21.21 N ATOM 1378 HZ1 LYS A 172 9.679 -5.379 -5.831 1.00 0.00 H ATOM 1379 HZ2 LYS A 172 11.065 -4.804 -5.034 1.00 0.00 H ATOM 1380 HZ3 LYS A 172 10.921 -6.456 -5.402 1.00 0.00 H ATOM 1381 H LYS A 172 8.538 -6.861 0.260 1.00 0.00 H ATOM 1382 N ASN A 173 5.399 -7.988 0.018 1.00 17.18 N ATOM 1383 CA ASN A 173 4.200 -8.834 0.109 1.00 17.71 C ATOM 1384 C ASN A 173 3.511 -8.831 1.460 1.00 16.95 C ATOM 1385 O ASN A 173 2.544 -9.589 1.666 1.00 17.35 O ATOM 1386 CB ASN A 173 4.526 -10.276 -0.280 1.00 18.80 C ATOM 1387 CG ASN A 173 5.139 -10.379 -1.660 1.00 20.00 C ATOM 1388 OD1 ASN A 173 4.575 -9.918 -2.632 1.00 20.63 O ATOM 1389 ND2 ASN A 173 6.296 -11.002 -1.744 1.00 20.73 N ATOM 1390 HD22 ASN A 173 6.745 -11.382 -0.887 1.00 0.00 H ATOM 1391 HD21 ASN A 173 6.760 -11.114 -2.668 1.00 0.00 H ATOM 1392 H ASN A 173 6.304 -8.375 0.353 1.00 0.00 H ATOM 1393 N GLY A 174 3.952 -7.956 2.360 1.00 15.95 N ATOM 1394 CA GLY A 174 3.316 -7.783 3.649 1.00 15.16 C ATOM 1395 C GLY A 174 3.696 -8.823 4.683 1.00 14.94 C ATOM 1396 O GLY A 174 3.050 -8.924 5.704 1.00 14.75 O ATOM 1397 H GLY A 174 4.783 -7.375 2.129 1.00 0.00 H ATOM 1398 N VAL A 175 4.767 -9.563 4.434 1.00 15.07 N ATOM 1399 CA VAL A 175 5.242 -10.596 5.338 1.00 15.07 C ATOM 1400 C VAL A 175 6.234 -9.961 6.306 1.00 14.18 C ATOM 1401 O VAL A 175 7.109 -9.198 5.914 1.00 13.63 O ATOM 1402 CB VAL A 175 5.883 -11.758 4.542 1.00 16.04 C ATOM 1403 CG1 VAL A 175 6.451 -12.837 5.446 1.00 16.37 C ATOM 1404 CG2 VAL A 175 4.861 -12.331 3.560 1.00 16.82 C ATOM 1405 H VAL A 175 5.291 -9.396 3.551 1.00 0.00 H ATOM 1406 N VAL A 176 6.107 -10.320 7.574 1.00 13.84 N ATOM 1407 CA VAL A 176 7.053 -9.852 8.585 1.00 13.39 C ATOM 1408 C VAL A 176 8.367 -10.556 8.336 1.00 13.97 C ATOM 1409 O VAL A 176 8.411 -11.785 8.277 1.00 14.34 O ATOM 1410 CB VAL A 176 6.549 -10.136 10.010 1.00 13.06 C ATOM 1411 CG1 VAL A 176 7.617 -9.814 11.046 1.00 12.83 C ATOM 1412 CG2 VAL A 176 5.285 -9.343 10.292 1.00 12.74 C ATOM 1413 H VAL A 176 5.323 -10.944 7.854 1.00 0.00 H ATOM 1414 N VAL A 177 9.428 -9.775 8.166 1.00 13.87 N ATOM 1415 CA VAL A 177 10.757 -10.346 7.890 1.00 14.75 C ATOM 1416 C VAL A 177 11.788 -10.093 8.983 1.00 14.77 C ATOM 1417 O VAL A 177 12.794 -10.787 9.025 1.00 15.10 O ATOM 1418 CB VAL A 177 11.323 -9.915 6.519 1.00 15.11 C ATOM 1419 CG1 VAL A 177 10.482 -10.515 5.401 1.00 15.71 C ATOM 1420 CG2 VAL A 177 11.426 -8.398 6.381 1.00 14.56 C ATOM 1421 H VAL A 177 9.318 -8.743 8.229 1.00 0.00 H ATOM 1422 N LYS A 178 11.561 -9.107 9.852 1.00 14.40 N ATOM 1423 CA LYS A 178 12.426 -8.935 11.000 1.00 14.91 C ATOM 1424 C LYS A 178 11.736 -8.181 12.139 1.00 14.01 C ATOM 1425 O LYS A 178 10.819 -7.405 11.892 1.00 13.41 O ATOM 1426 CB LYS A 178 13.714 -8.213 10.580 1.00 15.83 C ATOM 1427 CG LYS A 178 14.883 -8.438 11.519 1.00 16.92 C ATOM 1428 CD LYS A 178 16.163 -8.728 10.740 1.00 18.31 C ATOM 1429 CE LYS A 178 17.390 -8.572 11.620 1.00 19.13 C ATOM 1430 NZ LYS A 178 18.636 -8.562 10.803 1.00 20.29 N ATOM 1431 HZ1 LYS A 178 18.713 -9.457 10.279 1.00 0.00 H ATOM 1432 HZ2 LYS A 178 18.603 -7.768 10.132 1.00 0.00 H ATOM 1433 HZ3 LYS A 178 19.459 -8.454 11.430 1.00 0.00 H ATOM 1434 H LYS A 178 10.760 -8.460 9.704 1.00 0.00 H ATOM 1435 N ARG A 179 12.155 -8.457 13.379 1.00 13.64 N ATOM 1436 CA ARG A 179 11.777 -7.638 14.535 1.00 13.17 C ATOM 1437 C ARG A 179 13.064 -7.072 15.137 1.00 12.90 C ATOM 1438 O ARG A 179 13.993 -7.818 15.413 1.00 13.35 O ATOM 1439 CB ARG A 179 11.004 -8.416 15.618 1.00 13.46 C ATOM 1440 CG ARG A 179 10.584 -7.531 16.789 1.00 13.20 C ATOM 1441 CD ARG A 179 10.333 -8.214 18.117 1.00 13.68 C ATOM 1442 NE ARG A 179 9.125 -8.994 18.103 1.00 13.96 N ATOM 1443 CZ ARG A 179 8.231 -9.100 19.099 1.00 13.96 C ATOM 1444 NH1 ARG A 179 7.166 -9.875 18.909 1.00 14.21 N ATOM 1445 NH2 ARG A 179 8.374 -8.473 20.270 1.00 13.65 N ATOM 1446 HE ARG A 179 8.924 -9.530 17.235 1.00 0.00 H ATOM 1447 HH12 ARG A 179 6.456 -9.977 19.662 1.00 0.00 H ATOM 1448 HH11 ARG A 179 7.044 -10.379 18.007 1.00 0.00 H ATOM 1449 HH22 ARG A 179 7.654 -8.586 21.012 1.00 0.00 H ATOM 1450 HH21 ARG A 179 9.205 -7.872 20.440 1.00 0.00 H ATOM 1451 H ARG A 179 12.771 -9.282 13.528 1.00 0.00 H ATOM 1452 N TYR A 180 13.091 -5.762 15.343 1.00 12.43 N ATOM 1453 CA TYR A 180 14.207 -5.069 15.955 1.00 12.51 C ATOM 1454 C TYR A 180 13.715 -4.548 17.297 1.00 12.45 C ATOM 1455 O TYR A 180 12.594 -4.051 17.416 1.00 12.09 O ATOM 1456 CB TYR A 180 14.673 -3.910 15.093 1.00 12.36 C ATOM 1457 CG TYR A 180 15.041 -4.287 13.671 1.00 12.70 C ATOM 1458 CD1 TYR A 180 14.055 -4.421 12.698 1.00 12.73 C ATOM 1459 CD2 TYR A 180 16.364 -4.510 13.297 1.00 13.31 C ATOM 1460 CE1 TYR A 180 14.363 -4.756 11.401 1.00 13.20 C ATOM 1461 CE2 TYR A 180 16.684 -4.840 11.991 1.00 13.89 C ATOM 1462 CZ TYR A 180 15.664 -4.972 11.051 1.00 13.96 C ATOM 1463 OH TYR A 180 15.948 -5.291 9.747 1.00 14.91 O ATOM 1464 HH TYR A 180 16.409 -6.167 9.716 1.00 0.00 H ATOM 1465 H TYR A 180 12.266 -5.201 15.049 1.00 0.00 H ATOM 1466 N GLY A 181 14.553 -4.676 18.311 1.00 12.93 N ATOM 1467 CA GLY A 181 14.161 -4.317 19.660 1.00 12.95 C ATOM 1468 C GLY A 181 14.243 -2.827 19.959 1.00 12.93 C ATOM 1469 O GLY A 181 14.779 -2.040 19.151 1.00 12.64 O ATOM 1470 H GLY A 181 15.511 -5.041 18.138 1.00 0.00 H ATOM 1471 N PRO A 182 13.718 -2.425 21.129 1.00 13.17 N ATOM 1472 CA PRO A 182 13.749 -1.016 21.541 1.00 13.41 C ATOM 1473 C PRO A 182 15.150 -0.382 21.506 1.00 14.16 C ATOM 1474 O PRO A 182 15.269 0.795 21.221 1.00 14.21 O ATOM 1475 CB PRO A 182 13.243 -1.066 22.977 1.00 13.57 C ATOM 1476 CG PRO A 182 12.308 -2.231 22.996 1.00 13.45 C ATOM 1477 CD PRO A 182 12.974 -3.256 22.102 1.00 13.50 C ATOM 1478 N MET A 183 16.193 -1.171 21.731 1.00 14.85 N ATOM 1479 CA MET A 183 17.548 -0.631 21.819 1.00 16.04 C ATOM 1480 C MET A 183 18.250 -0.526 20.489 1.00 15.94 C ATOM 1481 O MET A 183 19.360 -0.006 20.433 1.00 16.92 O ATOM 1482 CB MET A 183 18.377 -1.482 22.766 1.00 17.19 C ATOM 1483 CG MET A 183 17.704 -1.587 24.106 1.00 18.09 C ATOM 1484 SD MET A 183 18.770 -2.209 25.375 1.00 20.09 S ATOM 1485 CE MET A 183 19.874 -0.794 25.517 1.00 20.36 C ATOM 1486 H MET A 183 16.043 -2.194 21.847 1.00 0.00 H ATOM 1487 N GLU A 184 17.618 -1.026 19.433 1.00 15.37 N ATOM 1488 CA GLU A 184 18.229 -1.084 18.125 1.00 15.40 C ATOM 1489 C GLU A 184 17.728 0.134 17.381 1.00 14.66 C ATOM 1490 O GLU A 184 16.570 0.175 16.965 1.00 13.49 O ATOM 1491 CB GLU A 184 17.830 -2.375 17.401 1.00 15.62 C ATOM 1492 CG GLU A 184 18.305 -3.648 18.104 1.00 16.17 C ATOM 1493 CD GLU A 184 18.019 -4.915 17.328 1.00 16.57 C ATOM 1494 OE1 GLU A 184 18.704 -5.159 16.332 1.00 17.74 O ATOM 1495 OE2 GLU A 184 17.139 -5.692 17.722 1.00 16.04 O ATOM 1496 H GLU A 184 16.650 -1.388 19.552 1.00 0.00 H ATOM 1497 N GLU A 185 18.591 1.140 17.261 1.00 14.67 N ATOM 1498 CA GLU A 185 18.190 2.387 16.617 1.00 14.71 C ATOM 1499 C GLU A 185 17.801 2.100 15.146 1.00 13.87 C ATOM 1500 O GLU A 185 18.311 1.142 14.550 1.00 13.81 O ATOM 1501 CB GLU A 185 19.301 3.440 16.710 1.00 16.00 C ATOM 1502 CG GLU A 185 20.531 3.122 15.887 1.00 17.67 C ATOM 1503 CD GLU A 185 21.698 4.080 16.109 1.00 18.90 C ATOM 1504 OE1 GLU A 185 21.683 4.939 17.018 1.00 19.62 O ATOM 1505 OE2 GLU A 185 22.654 3.950 15.346 1.00 21.14 O ATOM 1506 H GLU A 185 19.558 1.037 17.629 1.00 0.00 H ATOM 1507 N PRO A 186 16.939 2.947 14.551 1.00 12.96 N ATOM 1508 CA PRO A 186 16.445 2.673 13.196 1.00 12.81 C ATOM 1509 C PRO A 186 17.511 2.485 12.121 1.00 13.26 C ATOM 1510 O PRO A 186 17.298 1.689 11.206 1.00 12.90 O ATOM 1511 CB PRO A 186 15.559 3.897 12.886 1.00 12.70 C ATOM 1512 CG PRO A 186 15.061 4.333 14.234 1.00 12.42 C ATOM 1513 CD PRO A 186 16.200 4.057 15.185 1.00 12.68 C ATOM 1514 N LEU A 187 18.644 3.184 12.239 1.00 13.58 N ATOM 1515 CA LEU A 187 19.703 3.040 11.251 1.00 14.41 C ATOM 1516 C LEU A 187 20.288 1.625 11.164 1.00 14.60 C ATOM 1517 O LEU A 187 20.875 1.293 10.159 1.00 15.03 O ATOM 1518 CB LEU A 187 20.825 4.070 11.446 1.00 15.13 C ATOM 1519 CG LEU A 187 20.547 5.536 11.094 1.00 15.45 C ATOM 1520 CD1 LEU A 187 21.845 6.316 11.301 1.00 16.23 C ATOM 1521 CD2 LEU A 187 20.000 5.714 9.676 1.00 15.79 C ATOM 1522 H LEU A 187 18.770 3.834 13.041 1.00 0.00 H ATOM 1523 N VAL A 188 20.078 0.792 12.182 1.00 14.21 N ATOM 1524 CA VAL A 188 20.438 -0.641 12.138 1.00 14.71 C ATOM 1525 C VAL A 188 19.692 -1.413 11.032 1.00 14.54 C ATOM 1526 O VAL A 188 20.182 -2.403 10.507 1.00 14.62 O ATOM 1527 CB VAL A 188 20.161 -1.289 13.516 1.00 14.57 C ATOM 1528 CG1 VAL A 188 20.251 -2.804 13.469 1.00 15.25 C ATOM 1529 CG2 VAL A 188 21.162 -0.728 14.537 1.00 14.93 C ATOM 1530 H VAL A 188 19.641 1.167 13.048 1.00 0.00 H ATOM 1531 N ILE A 189 18.503 -0.937 10.699 1.00 14.02 N ATOM 1532 CA ILE A 189 17.649 -1.582 9.708 1.00 14.12 C ATOM 1533 C ILE A 189 18.135 -1.308 8.275 1.00 14.90 C ATOM 1534 O ILE A 189 17.824 -2.078 7.344 1.00 14.94 O ATOM 1535 CB ILE A 189 16.194 -1.094 9.874 1.00 13.43 C ATOM 1536 CG1 ILE A 189 15.730 -1.302 11.332 1.00 12.83 C ATOM 1537 CG2 ILE A 189 15.279 -1.796 8.871 1.00 13.60 C ATOM 1538 CD1 ILE A 189 14.390 -0.654 11.647 1.00 12.37 C ATOM 1539 H ILE A 189 18.164 -0.069 11.162 1.00 0.00 H ATOM 1540 N GLU A 190 18.864 -0.202 8.094 1.00 15.29 N ATOM 1541 CA GLU A 190 19.235 0.267 6.770 1.00 16.25 C ATOM 1542 C GLU A 190 19.977 -0.791 5.943 1.00 17.33 C ATOM 1543 O GLU A 190 19.704 -0.942 4.753 1.00 17.77 O ATOM 1544 CB GLU A 190 20.060 1.573 6.864 1.00 16.44 C ATOM 1545 CG GLU A 190 20.384 2.176 5.508 1.00 17.26 C ATOM 1546 CD GLU A 190 21.022 3.567 5.580 1.00 17.52 C ATOM 1547 OE1 GLU A 190 21.235 4.108 6.689 1.00 16.98 O ATOM 1548 OE2 GLU A 190 21.299 4.125 4.513 1.00 18.09 O ATOM 1549 H GLU A 190 19.175 0.339 8.926 1.00 0.00 H ATOM 1550 N LYS A 191 20.903 -1.514 6.572 1.00 18.07 N ATOM 1551 CA LYS A 191 21.634 -2.598 5.874 1.00 19.51 C ATOM 1552 C LYS A 191 20.729 -3.725 5.368 1.00 19.01 C ATOM 1553 O LYS A 191 21.069 -4.394 4.412 1.00 19.43 O ATOM 1554 CB LYS A 191 22.775 -3.165 6.734 1.00 20.57 C ATOM 1555 CG LYS A 191 22.343 -3.984 7.943 1.00 20.59 C ATOM 1556 CD LYS A 191 23.504 -4.804 8.509 1.00 21.97 C ATOM 1557 CE LYS A 191 23.804 -6.045 7.659 1.00 23.42 C ATOM 1558 NZ LYS A 191 25.266 -6.287 7.482 1.00 25.16 N ATOM 1559 HZ1 LYS A 191 25.697 -5.467 7.010 1.00 0.00 H ATOM 1560 HZ2 LYS A 191 25.709 -6.425 8.413 1.00 0.00 H ATOM 1561 HZ3 LYS A 191 25.407 -7.137 6.900 1.00 0.00 H ATOM 1562 H LYS A 191 21.116 -1.314 7.570 1.00 0.00 H ATOM 1563 N ASP A 192 19.573 -3.918 6.003 1.00 17.91 N ATOM 1564 CA ASP A 192 18.645 -4.973 5.618 1.00 17.90 C ATOM 1565 C ASP A 192 17.707 -4.586 4.471 1.00 18.19 C ATOM 1566 O ASP A 192 17.209 -5.475 3.794 1.00 18.28 O ATOM 1567 CB ASP A 192 17.826 -5.451 6.811 1.00 17.00 C ATOM 1568 CG ASP A 192 18.692 -6.045 7.930 1.00 17.34 C ATOM 1569 OD1 ASP A 192 19.747 -6.658 7.639 1.00 17.96 O ATOM 1570 OD2 ASP A 192 18.303 -5.872 9.102 1.00 16.78 O ATOM 1571 H ASP A 192 19.326 -3.296 6.799 1.00 0.00 H ATOM 1572 N LEU A 193 17.506 -3.283 4.236 1.00 17.90 N ATOM 1573 CA LEU A 193 16.546 -2.820 3.226 1.00 18.29 C ATOM 1574 C LEU A 193 16.766 -3.406 1.813 1.00 19.60 C ATOM 1575 O LEU A 193 15.791 -3.854 1.202 1.00 19.65 O ATOM 1576 CB LEU A 193 16.454 -1.287 3.181 1.00 18.03 C ATOM 1577 CG LEU A 193 16.056 -0.602 4.502 1.00 17.16 C ATOM 1578 CD1 LEU A 193 16.002 0.914 4.363 1.00 17.29 C ATOM 1579 CD2 LEU A 193 14.719 -1.142 5.024 1.00 16.49 C ATOM 1580 H LEU A 193 18.044 -2.581 4.783 1.00 0.00 H ATOM 1581 N PRO A 194 18.023 -3.438 1.310 1.00 21.01 N ATOM 1582 CA PRO A 194 18.242 -4.060 -0.016 1.00 22.50 C ATOM 1583 C PRO A 194 17.974 -5.575 -0.091 1.00 23.05 C ATOM 1584 O PRO A 194 17.899 -6.116 -1.192 1.00 24.60 O ATOM 1585 CB PRO A 194 19.723 -3.743 -0.345 1.00 23.51 C ATOM 1586 CG PRO A 194 20.176 -2.773 0.685 1.00 22.77 C ATOM 1587 CD PRO A 194 19.278 -2.929 1.881 1.00 21.30 C ATOM 1588 N HIS A 195 17.819 -6.259 1.036 1.00 22.49 N ATOM 1589 CA HIS A 195 17.365 -7.654 1.010 1.00 22.94 C ATOM 1590 C HIS A 195 15.907 -7.816 0.531 1.00 22.40 C ATOM 1591 O HIS A 195 15.519 -8.911 0.098 1.00 22.75 O ATOM 1592 CB HIS A 195 17.506 -8.325 2.379 1.00 22.78 C ATOM 1593 CG HIS A 195 18.878 -8.227 2.971 1.00 23.42 C ATOM 1594 ND1 HIS A 195 19.121 -8.439 4.311 1.00 23.16 N ATOM 1595 CD2 HIS A 195 20.075 -7.924 2.411 1.00 24.48 C ATOM 1596 CE1 HIS A 195 20.413 -8.280 4.547 1.00 23.78 C ATOM 1597 NE2 HIS A 195 21.011 -7.960 3.414 1.00 24.55 N ATOM 1598 H HIS A 195 18.022 -5.801 1.947 1.00 0.00 H ATOM 1599 N TYR A 196 15.108 -6.750 0.645 1.00 21.31 N ATOM 1600 CA TYR A 196 13.695 -6.779 0.306 1.00 21.04 C ATOM 1601 C TYR A 196 13.224 -5.738 -0.720 1.00 21.13 C ATOM 1602 O TYR A 196 12.076 -5.839 -1.184 1.00 20.56 O ATOM 1603 CB TYR A 196 12.850 -6.682 1.587 1.00 20.12 C ATOM 1604 CG TYR A 196 13.357 -7.612 2.654 1.00 20.18 C ATOM 1605 CD1 TYR A 196 13.048 -8.971 2.623 1.00 20.93 C ATOM 1606 CD2 TYR A 196 14.211 -7.148 3.654 1.00 20.13 C ATOM 1607 CE1 TYR A 196 13.541 -9.836 3.579 1.00 21.30 C ATOM 1608 CE2 TYR A 196 14.715 -8.003 4.618 1.00 20.40 C ATOM 1609 CZ TYR A 196 14.377 -9.348 4.572 1.00 21.00 C ATOM 1610 OH TYR A 196 14.875 -10.199 5.513 1.00 21.51 O ATOM 1611 HH TYR A 196 15.864 -10.194 5.470 1.00 0.00 H ATOM 1612 H TYR A 196 15.517 -5.859 0.992 1.00 0.00 H ATOM 1613 N PHE A 197 14.048 -4.747 -1.080 1.00 21.42 N ATOM 1614 CA PHE A 197 13.659 -3.836 -2.176 1.00 22.04 C ATOM 1615 C PHE A 197 13.436 -4.609 -3.476 1.00 23.14 C ATOM 1616 O PHE A 197 12.612 -4.178 -4.296 1.00 23.74 O ATOM 1617 CB PHE A 197 14.682 -2.713 -2.420 1.00 22.50 C ATOM 1618 CG PHE A 197 14.650 -1.593 -1.403 1.00 21.52 C ATOM 1619 CD1 PHE A 197 13.449 -1.052 -0.932 1.00 20.80 C ATOM 1620 CD2 PHE A 197 15.837 -1.043 -0.950 1.00 21.69 C ATOM 1621 CE1 PHE A 197 13.450 -0.013 -0.007 1.00 20.04 C ATOM 1622 CE2 PHE A 197 15.847 -0.011 -0.024 1.00 20.93 C ATOM 1623 CZ PHE A 197 14.654 0.515 0.442 1.00 20.15 C ATOM 1624 OXT PHE A 197 14.039 -5.666 -3.717 1.00 23.62 O ATOM 1625 H PHE A 197 14.957 -4.619 -0.591 1.00 0.00 H TER 1626 PHE A 197 HETATM 1627 O HOH 1 5.551 10.082 19.652 1.00 15.50 O HETATM 1628 O HOH 2 11.225 15.256 6.414 1.00 23.89 O HETATM 1629 O HOH 3 -6.064 17.456 21.852 1.00 37.20 O HETATM 1630 O HOH 4 16.832 -5.728 -3.579 1.00 24.34 O HETATM 1631 O HOH 5 7.947 -4.373 29.340 1.00 21.45 O HETATM 1632 O HOH 6 -6.959 -5.089 3.480 1.00 24.80 O HETATM 1633 O HOH 7 10.047 -5.058 22.289 1.00 11.86 O HETATM 1634 O HOH 8 7.296 -12.664 0.768 1.00 23.69 O HETATM 1635 O HOH 9 -4.712 -4.518 25.404 1.00 18.13 O HETATM 1636 O HOH 10 20.506 0.382 2.384 1.00 28.69 O HETATM 1637 O HOH 11 4.341 -17.757 19.207 1.00 20.71 O HETATM 1638 O HOH 12 -12.861 9.990 12.370 1.00 25.69 O HETATM 1639 O HOH 13 -12.563 -0.621 8.840 1.00 12.59 O HETATM 1640 O HOH 14 13.165 2.894 23.360 1.00 22.29 O HETATM 1641 O HOH 15 -3.997 7.660 26.593 1.00 33.36 O HETATM 1642 O HOH 16 -6.842 3.092 2.521 1.00 32.05 O HETATM 1643 O HOH 17 -6.245 -14.893 5.218 1.00 31.66 O HETATM 1644 O HOH 18 15.797 13.469 10.495 1.00 15.81 O HETATM 1645 O HOH 19 2.169 12.130 24.164 1.00 19.06 O HETATM 1646 O HOH 20 1.986 21.185 20.127 1.00 25.16 O HETATM 1647 O HOH 21 17.298 -9.206 6.273 1.00 31.40 O HETATM 1648 O HOH 22 -12.083 6.325 7.134 1.00 16.26 O HETATM 1649 O HOH 23 26.270 -4.469 5.710 1.00 26.65 O HETATM 1650 O HOH 24 -11.165 8.765 16.176 1.00 28.42 O HETATM 1651 O HOH 25 16.154 2.718 19.481 1.00 12.96 O HETATM 1652 O HOH 26 4.358 -3.952 2.403 1.00 18.48 O HETATM 1653 O HOH 27 7.233 -14.058 9.270 1.00 16.96 O HETATM 1654 O HOH 28 10.868 -11.611 1.843 1.00 29.29 O HETATM 1655 O HOH 29 10.042 -7.609 -0.604 1.00 17.72 O HETATM 1656 O HOH 30 22.169 8.825 7.973 1.00 19.96 O HETATM 1657 O HOH 31 2.049 10.014 31.537 1.00 20.17 O HETATM 1658 O HOH 32 5.173 2.881 22.139 1.00 11.02 O HETATM 1659 O HOH 33 2.025 18.503 21.268 1.00 20.96 O HETATM 1660 O HOH 34 -0.370 -11.935 19.537 1.00 11.77 O HETATM 1661 O HOH 35 9.517 11.610 7.058 1.00 11.71 O HETATM 1662 O HOH 36 4.379 4.429 26.150 1.00 14.01 O HETATM 1663 O HOH 37 2.451 5.053 0.340 1.00 25.72 O HETATM 1664 O HOH 38 -1.708 19.577 13.317 1.00 34.72 O HETATM 1665 O HOH 39 3.696 9.171 3.735 1.00 27.98 O HETATM 1666 O HOH 40 1.225 6.613 2.508 1.00 29.79 O HETATM 1667 O HOH 41 5.579 7.756 2.241 1.00 19.88 O HETATM 1668 O HOH 42 0.626 3.661 -1.448 1.00 26.83 O HETATM 1669 O HOH 43 -0.534 -8.864 -0.282 1.00 32.10 O HETATM 1670 O HOH 44 -5.568 11.735 7.201 1.00 26.76 O HETATM 1671 O HOH 45 11.707 12.567 5.710 1.00 19.10 O HETATM 1672 O HOH 46 16.366 -3.952 22.161 1.00 18.14 O HETATM 1673 O HOH 47 13.246 -11.041 13.671 1.00 28.25 O HETATM 1674 O HOH 48 21.333 9.560 15.105 1.00 31.91 O HETATM 1675 O HOH 49 -1.820 -8.641 22.109 1.00 24.68 O HETATM 1676 O HOH 50 -4.305 3.225 14.824 1.00 13.75 O HETATM 1677 O HOH 51 8.443 18.230 18.414 1.00 21.23 O HETATM 1678 O HOH 52 17.192 9.933 21.795 1.00 13.60 O HETATM 1679 O HOH 53 6.102 -6.417 27.873 1.00 21.74 O HETATM 1680 O HOH 54 13.134 -12.245 16.192 1.00 38.85 O HETATM 1681 O HOH 55 -1.878 3.100 24.584 1.00 17.41 O HETATM 1682 O HOH 56 21.264 12.125 6.119 1.00 27.41 O HETATM 1683 O HOH 57 -5.339 -7.801 28.393 1.00 29.15 O HETATM 1684 O HOH 58 8.303 7.355 31.922 1.00 29.57 O HETATM 1685 O HOH 59 -9.061 5.250 18.705 1.00 32.69 O HETATM 1686 O HOH 60 13.974 14.891 12.096 1.00 18.75 O HETATM 1687 O HOH 61 17.614 13.203 5.907 1.00 20.85 O HETATM 1688 O HOH 62 9.202 -15.670 21.436 1.00 21.38 O HETATM 1689 O HOH 63 12.863 -14.707 18.317 1.00 25.37 O HETATM 1690 O HOH 64 -6.816 11.658 20.996 1.00 25.52 O HETATM 1691 O HOH 65 -6.433 6.738 19.582 1.00 18.81 O HETATM 1692 O HOH 66 2.221 -17.906 13.451 1.00 33.96 O HETATM 1693 O HOH 67 18.396 10.151 26.470 1.00 28.73 O HETATM 1694 O HOH 68 -10.554 6.664 4.800 1.00 24.01 O HETATM 1695 O HOH 69 13.689 -12.966 7.321 1.00 30.42 O HETATM 1696 O HOH 70 -8.028 -4.767 10.214 1.00 23.50 O HETATM 1697 O HOH 71 6.663 -11.657 26.108 1.00 16.64 O HETATM 1698 O HOH 72 4.650 -12.796 8.293 1.00 12.96 O HETATM 1699 O HOH 73 2.527 -4.155 28.068 1.00 21.42 O HETATM 1700 O HOH 74 19.912 9.651 10.957 1.00 20.82 O HETATM 1701 O HOH 75 4.774 -14.917 24.139 1.00 15.87 O HETATM 1702 O HOH 76 -6.825 14.395 19.193 1.00 19.11 O HETATM 1703 O HOH 77 0.449 -9.085 24.793 1.00 16.65 O HETATM 1704 O HOH 78 -0.406 -15.818 11.615 1.00 25.94 O HETATM 1705 O HOH 79 5.190 5.976 4.883 1.00 9.88 O HETATM 1706 O HOH 80 0.770 0.265 -3.858 1.00 29.72 O HETATM 1707 O HOH 81 4.982 0.381 31.846 1.00 22.84 O HETATM 1708 O HOH 82 21.409 0.583 18.111 1.00 17.42 O HETATM 1709 O HOH 83 -5.627 -0.827 20.563 1.00 21.74 O HETATM 1710 O HOH 84 26.498 -7.740 9.827 1.00 38.25 O HETATM 1711 O HOH 85 2.130 -10.791 23.190 1.00 19.93 O HETATM 1712 O HOH 86 -0.717 9.969 8.656 1.00 30.98 O HETATM 1713 O HOH 87 17.701 -3.000 -4.143 1.00 36.60 O HETATM 1714 O HOH 88 -2.917 8.333 6.346 1.00 34.21 O HETATM 1715 O HOH 89 -8.578 9.613 15.719 1.00 27.96 O HETATM 1716 O HOH 90 14.793 11.518 23.524 1.00 14.34 O HETATM 1717 O HOH 91 4.042 14.266 24.791 1.00 29.34 O HETATM 1718 O HOH 92 -11.592 10.956 5.204 1.00 28.05 O HETATM 1719 O HOH 93 2.360 -15.227 22.017 1.00 19.46 O HETATM 1720 O HOH 94 18.845 3.196 20.489 1.00 25.98 O HETATM 1721 O HOH 95 10.465 12.334 3.065 1.00 28.35 O HETATM 1722 O HOH 96 -5.366 -11.771 21.824 1.00 35.16 O HETATM 1723 O HOH 97 5.017 -2.472 29.971 1.00 29.07 O HETATM 1724 O HOH 98 -5.063 5.468 2.637 1.00 29.16 O HETATM 1725 O HOH 99 4.615 -13.451 0.014 1.00 34.07 O HETATM 1726 O HOH 100 23.671 -2.157 10.935 1.00 30.16 O HETATM 1727 O HOH 101 -2.764 2.574 27.271 1.00 32.48 O HETATM 1728 O HOH 102 -6.451 1.364 22.387 1.00 34.64 O HETATM 1729 O HOH 103 15.627 14.076 7.601 1.00 23.96 O HETATM 1730 O HOH 104 -6.796 2.266 15.660 1.00 30.04 O HETATM 1731 O HOH 105 9.309 -9.989 29.452 1.00 24.69 O HETATM 1732 O HOH 106 21.806 -2.726 17.474 1.00 35.36 O HETATM 1733 O HOH 107 -7.634 14.485 16.377 1.00 31.73 O HETATM 1734 O HOH 108 11.008 18.107 19.720 1.00 35.11 O HETATM 1735 O HOH 109 10.464 -10.227 -1.625 1.00 36.47 O HETATM 1736 O HOH 110 1.887 -12.513 21.027 1.00 26.35 O HETATM 1737 O HOH 111 7.595 -15.975 7.312 1.00 26.07 O HETATM 1738 O HOH 112 -8.462 -2.568 17.775 1.00 29.31 O HETATM 1739 O HOH 113 -6.848 -0.192 18.119 1.00 33.50 O HETATM 1740 O HOH 114 11.698 -17.393 17.814 1.00 34.10 O HETATM 1741 O HOH 115 4.872 18.567 21.944 1.00 21.20 O HETATM 1742 O HOH 116 -2.491 -11.341 21.346 1.00 24.91 O HETATM 1743 O HOH 117 20.059 -4.626 21.172 1.00 32.85 O HETATM 1744 O HOH 118 11.647 -7.544 32.073 1.00 16.67 O HETATM 1745 O HOH 119 8.905 -3.387 31.763 1.00 24.59 O HETATM 1746 O HOH 120 17.467 6.824 29.219 1.00 33.18 O HETATM 1747 O HOH 121 16.817 -5.378 24.539 1.00 18.43 O HETATM 1748 O HOH 122 11.099 -7.803 29.325 1.00 19.86 O HETATM 1749 O HOH 123 20.689 2.221 35.092 1.00 26.46 O HETATM 1750 O HOH 124 21.642 -2.513 34.292 1.00 32.19 O HETATM 1751 O HOH 125 11.528 -5.130 35.070 1.00 21.43 O HETATM 1752 O HOH 126 17.501 -8.686 22.035 1.00 34.22 O HETATM 1753 N VAL A 127 27.368 -1.187 30.018 1.00 0.24 N HETATM 1754 CA VAL A 127 26.809 0.065 30.637 1.00 0.07 C HETATM 1755 C VAL A 127 25.452 -0.239 31.282 1.00 0.23 C HETATM 1756 O VAL A 127 24.688 -1.059 30.740 1.00 -0.39 O HETATM 1757 N VAL A 127 25.131 0.417 32.428 1.00 -0.25 N HETATM 1758 CA VAL A 127 23.779 0.208 32.952 1.00 0.13 C HETATM 1759 C VAL A 127 22.660 0.457 31.913 1.00 0.20 C HETATM 1760 O VAL A 127 22.796 1.260 30.984 1.00 -0.39 O HETATM 1761 N VAL A 127 21.595 -0.321 32.054 1.00 -0.26 N HETATM 1762 CA VAL A 127 20.456 -0.281 31.155 1.00 0.14 C HETATM 1763 C VAL A 127 19.760 1.065 31.367 1.00 0.21 C HETATM 1764 O VAL A 127 19.479 1.422 32.509 1.00 -0.39 O HETATM 1765 N VAL A 127 19.510 1.817 30.293 1.00 -0.25 N HETATM 1766 CA VAL A 127 19.016 3.207 30.402 1.00 0.13 C HETATM 1767 C VAL A 127 17.507 3.354 30.627 1.00 0.20 C HETATM 1768 O VAL A 127 16.986 4.470 30.594 1.00 -0.39 O HETATM 1769 N VAL A 127 16.803 2.243 30.796 1.00 -0.26 N HETATM 1770 CA VAL A 127 15.363 2.278 31.032 1.00 0.14 C HETATM 1771 C VAL A 127 14.988 1.929 32.456 1.00 0.21 C HETATM 1772 O VAL A 127 13.809 1.981 32.804 1.00 -0.39 O HETATM 1773 N VAL A 127 15.968 1.586 33.294 1.00 -0.26 N HETATM 1774 CA VAL A 127 15.672 1.205 34.669 1.00 0.13 C HETATM 1775 C VAL A 127 15.044 2.375 35.450 1.00 0.21 C HETATM 1776 O VAL A 127 15.428 3.520 35.225 1.00 -0.39 O HETATM 1777 N VAL A 127 14.096 2.091 36.365 1.00 -0.25 N HETATM 1778 CA VAL A 127 13.600 0.780 36.790 1.00 0.13 C HETATM 1779 C VAL A 127 12.379 0.269 35.982 1.00 0.20 C HETATM 1780 O VAL A 127 11.879 -0.816 36.235 1.00 -0.39 O HETATM 1781 N VAL A 127 11.940 1.035 35.004 1.00 -0.26 N HETATM 1782 CA VAL A 127 10.707 0.761 34.268 1.00 0.13 C HETATM 1783 C VAL A 127 10.806 -0.449 33.344 1.00 0.20 C HETATM 1784 O VAL A 127 9.827 -1.174 33.143 1.00 -0.39 O HETATM 1785 N VAL A 127 11.982 -0.642 32.753 1.00 -0.26 N HETATM 1786 CA VAL A 127 12.315 -1.862 32.001 1.00 0.14 C HETATM 1787 C VAL A 127 13.821 -2.122 32.203 1.00 0.21 C HETATM 1788 O VAL A 127 14.602 -1.169 32.428 1.00 -0.39 O HETATM 1789 N VAL A 127 14.199 -3.392 32.169 1.00 -0.26 N HETATM 1790 CA VAL A 127 15.564 -3.810 32.481 1.00 0.15 C HETATM 1791 C VAL A 127 16.298 -4.374 31.254 1.00 0.21 C HETATM 1792 O VAL A 127 17.237 -5.142 31.404 1.00 -0.39 O HETATM 1793 N VAL A 127 15.881 -3.954 30.049 1.00 -0.26 N HETATM 1794 CA VAL A 127 16.509 -4.358 28.806 1.00 0.14 C HETATM 1795 C VAL A 127 16.431 -5.871 28.561 1.00 0.20 C HETATM 1796 O VAL A 127 17.318 -6.436 27.959 1.00 -0.39 O HETATM 1797 N VAL A 127 15.408 -6.543 29.068 1.00 -0.26 N HETATM 1798 CA VAL A 127 15.323 -7.999 28.917 1.00 0.13 C HETATM 1799 C VAL A 127 14.500 -8.312 27.651 1.00 0.20 C HETATM 1800 O VAL A 127 13.299 -8.034 27.600 1.00 -0.39 O HETATM 1801 N VAL A 127 15.175 -8.842 26.629 1.00 -0.27 N HETATM 1802 CA VAL A 127 14.525 -9.302 25.406 1.00 0.12 C HETATM 1803 C VAL A 127 14.111 -8.218 24.441 1.00 0.20 C HETATM 1804 O VAL A 127 14.618 -7.095 24.480 1.00 -0.39 O HETATM 1805 N VAL A 127 13.215 -8.580 23.531 1.00 -0.27 N HETATM 1806 CA VAL A 127 12.697 -7.657 22.524 1.00 0.09 C HETATM 1807 C VAL A 127 11.381 -8.136 21.937 1.00 0.06 C HETATM 1808 O VAL A 127 10.888 -9.252 22.214 1.00 -0.57 O HETATM 1809 OXT VAL A 127 10.804 -7.415 21.141 1.00 -0.57 O HETATM 1810 CB VAL A 127 13.724 -7.458 21.411 1.00 -0.02 C HETATM 1811 CG VAL A 127 13.996 -8.670 20.552 1.00 -0.04 C HETATM 1812 CD VAL A 127 15.024 -8.330 19.478 1.00 -0.01 C HETATM 1813 CE VAL A 127 14.990 -9.308 18.329 1.00 -0.04 C HETATM 1814 NZ VAL A 127 15.817 -8.743 17.213 1.00 0.22 N HETATM 1815 H106 VAL A 127 15.809 -9.381 16.433 1.00 0.20 H HETATM 1816 H107 VAL A 127 16.765 -8.612 17.530 1.00 0.20 H HETATM 1817 H108 VAL A 127 15.433 -7.856 16.926 1.00 0.20 H HETATM 1818 H104 VAL A 127 13.953 -9.450 17.990 1.00 0.08 H HETATM 1819 H105 VAL A 127 15.406 -10.274 18.649 1.00 0.08 H HETATM 1820 H102 VAL A 127 16.027 -8.348 19.929 1.00 0.03 H HETATM 1821 H103 VAL A 127 14.813 -7.322 19.092 1.00 0.03 H HETATM 1822 H100 VAL A 127 13.061 -8.993 20.071 1.00 0.03 H HETATM 1823 H101 VAL A 127 14.384 -9.483 21.183 1.00 0.03 H HETATM 1824 H98 VAL A 127 14.673 -7.153 21.876 1.00 0.03 H HETATM 1825 H99 VAL A 127 13.361 -6.653 20.755 1.00 0.03 H HETATM 1826 H97 VAL A 127 12.520 -6.687 23.011 1.00 0.07 H HETATM 1827 H96 VAL A 127 12.881 -9.523 23.535 1.00 0.19 H HETATM 1828 H94 VAL A 127 13.623 -9.863 25.692 1.00 0.08 H HETATM 1829 H95 VAL A 127 15.223 -9.972 24.883 1.00 0.08 H HETATM 1830 H93 VAL A 127 16.169 -8.928 26.704 1.00 0.19 H HETATM 1831 CB VAL A 127 14.691 -8.628 30.152 1.00 -0.02 C HETATM 1832 H90 VAL A 127 14.636 -9.719 30.020 1.00 0.03 H HETATM 1833 H91 VAL A 127 13.678 -8.224 30.291 1.00 0.03 H HETATM 1834 H92 VAL A 127 15.303 -8.396 31.036 1.00 0.03 H HETATM 1835 H89 VAL A 127 16.337 -8.408 28.795 1.00 0.08 H HETATM 1836 H88 VAL A 127 14.687 -6.053 29.558 1.00 0.19 H HETATM 1837 CB VAL A 127 17.972 -3.864 28.745 1.00 0.04 C HETATM 1838 SG VAL A 127 18.139 -2.052 28.795 1.00 -0.09 S HETATM 1839 SG VAL A 127 17.907 -1.469 30.775 1.00 -0.09 S HETATM 1840 CB VAL A 127 19.534 -1.454 31.506 1.00 0.04 C HETATM 1841 H21 VAL A 127 19.404 -1.456 32.598 1.00 0.04 H HETATM 1842 H22 VAL A 127 20.043 -2.378 31.195 1.00 0.04 H HETATM 1843 H86 VAL A 127 18.422 -4.228 27.810 1.00 0.04 H HETATM 1844 H87 VAL A 127 18.517 -4.286 29.602 1.00 0.04 H HETATM 1845 H85 VAL A 127 15.959 -3.868 27.989 1.00 0.08 H HETATM 1846 H84 VAL A 127 15.099 -3.332 30.007 1.00 0.19 H HETATM 1847 CB VAL A 127 15.544 -4.823 33.637 1.00 0.08 C HETATM 1848 CG VAL A 127 14.850 -6.129 33.267 1.00 0.18 C HETATM 1849 OD1 VAL A 127 13.906 -6.132 32.496 1.00 -0.40 O HETATM 1850 ND2 VAL A 127 15.327 -7.235 33.806 1.00 -0.30 N HETATM 1851 H82 VAL A 127 14.905 -8.117 33.594 1.00 0.18 H HETATM 1852 H83 VAL A 127 16.110 -7.191 34.427 1.00 0.18 H HETATM 1853 H80 VAL A 127 15.014 -4.373 34.489 1.00 0.06 H HETATM 1854 H81 VAL A 127 16.581 -5.046 33.926 1.00 0.06 H HETATM 1855 H79 VAL A 127 16.119 -2.922 32.818 1.00 0.08 H HETATM 1856 H78 VAL A 127 13.526 -4.089 31.921 1.00 0.19 H HETATM 1857 CB VAL A 127 11.947 -1.692 30.524 1.00 0.00 C HETATM 1858 CG VAL A 127 12.184 -2.927 29.666 1.00 -0.04 C HETATM 1859 CD1 VAL A 127 11.771 -4.205 29.932 1.00 0.02 C HETATM 1860 NE1 VAL A 127 12.181 -5.051 28.925 1.00 -0.29 N HETATM 1861 CE2 VAL A 127 12.856 -4.330 27.980 1.00 0.06 C HETATM 1862 CD2 VAL A 127 12.887 -2.984 28.419 1.00 -0.02 C HETATM 1863 CE3 VAL A 127 13.537 -2.026 27.615 1.00 -0.07 C HETATM 1864 CZ3 VAL A 127 14.138 -2.435 26.422 1.00 -0.08 C HETATM 1865 CH2 VAL A 127 14.100 -3.785 26.015 1.00 -0.08 C HETATM 1866 CZ2 VAL A 127 13.466 -4.745 26.784 1.00 -0.04 C HETATM 1867 H75 VAL A 127 13.441 -5.783 26.474 1.00 0.05 H HETATM 1868 H77 VAL A 127 14.575 -4.075 25.085 1.00 0.05 H HETATM 1869 H76 VAL A 127 14.641 -1.704 25.800 1.00 0.05 H HETATM 1870 H74 VAL A 127 13.570 -0.986 27.918 1.00 0.05 H HETATM 1871 H73 VAL A 127 12.007 -6.066 28.890 1.00 0.22 H HETATM 1872 H72 VAL A 127 11.202 -4.508 30.810 1.00 0.08 H HETATM 1873 H70 VAL A 127 12.549 -0.868 30.113 1.00 0.04 H HETATM 1874 H71 VAL A 127 10.880 -1.432 30.464 1.00 0.04 H HETATM 1875 H69 VAL A 127 11.745 -2.711 32.407 1.00 0.08 H HETATM 1876 H68 VAL A 127 12.673 0.077 32.823 1.00 0.19 H HETATM 1877 CB VAL A 127 10.328 2.005 33.472 1.00 -0.01 C HETATM 1878 CG VAL A 127 10.104 3.297 34.276 1.00 -0.04 C HETATM 1879 CD1 VAL A 127 9.650 4.404 33.340 1.00 -0.06 C HETATM 1880 H62 VAL A 127 9.490 5.328 33.915 1.00 0.02 H HETATM 1881 H63 VAL A 127 8.710 4.109 32.852 1.00 0.02 H HETATM 1882 H64 VAL A 127 10.422 4.577 32.575 1.00 0.02 H HETATM 1883 CD2 VAL A 127 9.090 3.114 35.386 1.00 -0.06 C HETATM 1884 H65 VAL A 127 9.425 2.311 36.060 1.00 0.02 H HETATM 1885 H66 VAL A 127 8.116 2.846 34.952 1.00 0.02 H HETATM 1886 H67 VAL A 127 8.993 4.052 35.953 1.00 0.02 H HETATM 1887 H61 VAL A 127 11.062 3.590 34.731 1.00 0.03 H HETATM 1888 H59 VAL A 127 9.396 1.784 32.931 1.00 0.03 H HETATM 1889 H60 VAL A 127 11.135 2.197 32.750 1.00 0.03 H HETATM 1890 H58 VAL A 127 9.912 0.557 35.001 1.00 0.08 H HETATM 1891 H57 VAL A 127 12.475 1.842 34.753 1.00 0.19 H HETATM 1892 CB VAL A 127 13.201 1.039 38.239 1.00 -0.01 C HETATM 1893 CG VAL A 127 12.727 2.451 38.241 1.00 -0.03 C HETATM 1894 CD VAL A 127 13.421 3.168 37.115 1.00 0.04 C HETATM 1895 H55 VAL A 127 12.693 3.691 36.477 1.00 0.05 H HETATM 1896 H56 VAL A 127 14.153 3.891 37.505 1.00 0.05 H HETATM 1897 H53 VAL A 127 12.977 2.929 39.200 1.00 0.03 H HETATM 1898 H54 VAL A 127 11.638 2.481 38.089 1.00 0.03 H HETATM 1899 H51 VAL A 127 14.065 0.916 38.909 1.00 0.03 H HETATM 1900 H52 VAL A 127 12.396 0.357 38.550 1.00 0.03 H HETATM 1901 H50 VAL A 127 14.403 0.031 36.728 1.00 0.08 H HETATM 1902 CB VAL A 127 16.936 0.715 35.385 1.00 -0.01 C HETATM 1903 CG VAL A 127 17.502 -0.638 34.949 1.00 -0.04 C HETATM 1904 CD1 VAL A 127 18.876 -0.832 35.573 1.00 -0.06 C HETATM 1905 H44 VAL A 127 19.286 -1.804 35.262 1.00 0.02 H HETATM 1906 H45 VAL A 127 18.788 -0.805 36.669 1.00 0.02 H HETATM 1907 H46 VAL A 127 19.547 -0.027 35.239 1.00 0.02 H HETATM 1908 CD2 VAL A 127 16.564 -1.783 35.331 1.00 -0.06 C HETATM 1909 H47 VAL A 127 15.579 -1.620 34.869 1.00 0.02 H HETATM 1910 H48 VAL A 127 16.454 -1.818 36.425 1.00 0.02 H HETATM 1911 H49 VAL A 127 16.983 -2.735 34.974 1.00 0.02 H HETATM 1912 H43 VAL A 127 17.611 -0.634 33.854 1.00 0.03 H HETATM 1913 H41 VAL A 127 16.704 0.647 36.458 1.00 0.03 H HETATM 1914 H42 VAL A 127 17.721 1.469 35.226 1.00 0.03 H HETATM 1915 H40 VAL A 127 14.946 0.379 34.645 1.00 0.08 H HETATM 1916 H39 VAL A 127 16.916 1.590 32.975 1.00 0.19 H HETATM 1917 CB VAL A 127 14.669 1.325 30.079 1.00 0.02 C HETATM 1918 CG VAL A 127 14.962 1.516 28.593 1.00 -0.05 C HETATM 1919 CD1 VAL A 127 14.261 2.442 27.826 1.00 -0.07 C HETATM 1920 CE1 VAL A 127 14.518 2.595 26.453 1.00 -0.04 C HETATM 1921 CZ VAL A 127 15.475 1.793 25.843 1.00 0.08 C HETATM 1922 CE2 VAL A 127 16.172 0.863 26.600 1.00 -0.04 C HETATM 1923 CD2 VAL A 127 15.913 0.736 27.957 1.00 -0.07 C HETATM 1924 H35 VAL A 127 16.470 0.007 28.535 1.00 0.05 H HETATM 1925 H37 VAL A 127 16.920 0.234 26.131 1.00 0.05 H HETATM 1926 OH VAL A 127 15.725 1.898 24.486 1.00 -0.34 O HETATM 1927 H38 VAL A 127 15.171 2.575 24.115 1.00 0.25 H HETATM 1928 H36 VAL A 127 13.974 3.333 25.874 1.00 0.05 H HETATM 1929 H34 VAL A 127 13.502 3.057 28.297 1.00 0.05 H HETATM 1930 H32 VAL A 127 13.584 1.438 30.223 1.00 0.05 H HETATM 1931 H33 VAL A 127 14.970 0.302 30.350 1.00 0.05 H HETATM 1932 H31 VAL A 127 15.010 3.300 30.828 1.00 0.08 H HETATM 1933 H30 VAL A 127 17.270 1.359 30.761 1.00 0.19 H HETATM 1934 CB VAL A 127 19.359 3.781 29.030 1.00 -0.01 C HETATM 1935 CG VAL A 127 19.168 2.622 28.130 1.00 -0.03 C HETATM 1936 CD VAL A 127 19.714 1.450 28.885 1.00 0.04 C HETATM 1937 H28 VAL A 127 19.163 0.531 28.635 1.00 0.05 H HETATM 1938 H29 VAL A 127 20.783 1.307 28.668 1.00 0.05 H HETATM 1939 H26 VAL A 127 19.720 2.768 27.190 1.00 0.03 H HETATM 1940 H27 VAL A 127 18.100 2.476 27.909 1.00 0.03 H HETATM 1941 H24 VAL A 127 20.399 4.139 28.999 1.00 0.03 H HETATM 1942 H25 VAL A 127 18.680 4.604 28.764 1.00 0.03 H HETATM 1943 H23 VAL A 127 19.549 3.736 31.206 1.00 0.08 H HETATM 1944 H20 VAL A 127 20.786 -0.370 30.109 1.00 0.08 H HETATM 1945 H19 VAL A 127 21.576 -0.967 32.817 1.00 0.19 H HETATM 1946 CB VAL A 127 23.710 1.167 34.156 1.00 -0.01 C HETATM 1947 CG VAL A 127 25.129 1.179 34.675 1.00 -0.03 C HETATM 1948 CD VAL A 127 26.020 1.015 33.449 1.00 0.04 C HETATM 1949 H17 VAL A 127 26.401 1.990 33.111 1.00 0.05 H HETATM 1950 H18 VAL A 127 26.866 0.347 33.669 1.00 0.05 H HETATM 1951 H15 VAL A 127 25.287 0.347 35.378 1.00 0.03 H HETATM 1952 H16 VAL A 127 25.344 2.132 35.180 1.00 0.03 H HETATM 1953 H13 VAL A 127 23.015 0.790 34.920 1.00 0.03 H HETATM 1954 H14 VAL A 127 23.398 2.173 33.840 1.00 0.03 H HETATM 1955 H12 VAL A 127 23.680 -0.830 33.303 1.00 0.08 H HETATM 1956 CB VAL A 127 26.638 1.200 29.585 1.00 0.01 C HETATM 1957 CG1 VAL A 127 25.598 0.835 28.528 1.00 -0.06 C HETATM 1958 H6 VAL A 127 25.506 1.659 27.805 1.00 0.02 H HETATM 1959 H7 VAL A 127 24.626 0.663 29.014 1.00 0.02 H HETATM 1960 H8 VAL A 127 25.913 -0.079 28.004 1.00 0.02 H HETATM 1961 CG2 VAL A 127 26.273 2.525 30.254 1.00 -0.06 C HETATM 1962 H9 VAL A 127 27.030 2.774 31.012 1.00 0.02 H HETATM 1963 H10 VAL A 127 25.288 2.433 30.736 1.00 0.02 H HETATM 1964 H11 VAL A 127 26.238 3.321 29.496 1.00 0.02 H HETATM 1965 H5 VAL A 127 27.604 1.332 29.076 1.00 0.04 H HETATM 1966 H4 VAL A 127 27.505 0.411 31.415 1.00 0.11 H HETATM 1967 H1 VAL A 127 27.465 -1.898 30.726 1.00 0.20 H HETATM 1968 H2 VAL A 127 28.271 -0.989 29.616 1.00 0.20 H HETATM 1969 H3 VAL A 127 26.743 -1.514 29.298 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 388 378 389 396 CONECT 389 388 390 392 CONECT 390 389 391 397 CONECT 391 390 CONECT 392 389 393 CONECT 393 392 394 395 CONECT 394 393 CONECT 395 393 CONECT 396 388 CONECT 1753 1754 1967 1968 1969 CONECT 1754 1753 1755 1956 1966 CONECT 1755 1754 1756 1757 CONECT 1756 1755 CONECT 1757 1755 1758 1948 CONECT 1758 1757 1759 1946 1955 CONECT 1759 1758 1760 1761 CONECT 1760 1759 CONECT 1761 1759 1762 1945 CONECT 1762 1761 1763 1840 1944 CONECT 1763 1762 1764 1765 CONECT 1764 1763 CONECT 1765 1763 1766 1936 CONECT 1766 1765 1767 1934 1943 CONECT 1767 1766 1768 1769 CONECT 1768 1767 CONECT 1769 1767 1770 1933 CONECT 1770 1769 1771 1917 1932 CONECT 1771 1770 1772 1773 CONECT 1772 1771 CONECT 1773 1771 1774 1916 CONECT 1774 1773 1775 1902 1915 CONECT 1775 1774 1776 1777 CONECT 1776 1775 CONECT 1777 1775 1778 1894 CONECT 1778 1777 1779 1892 1901 CONECT 1779 1778 1780 1781 CONECT 1780 1779 CONECT 1781 1779 1782 1891 CONECT 1782 1781 1783 1877 1890 CONECT 1783 1782 1784 1785 CONECT 1784 1783 CONECT 1785 1783 1786 1876 CONECT 1786 1785 1787 1857 1875 CONECT 1787 1786 1788 1789 CONECT 1788 1787 CONECT 1789 1787 1790 1856 CONECT 1790 1789 1791 1847 1855 CONECT 1791 1790 1792 1793 CONECT 1792 1791 CONECT 1793 1791 1794 1846 CONECT 1794 1793 1795 1837 1845 CONECT 1795 1794 1796 1797 CONECT 1796 1795 CONECT 1797 1795 1798 1836 CONECT 1798 1797 1799 1831 1835 CONECT 1799 1798 1800 1801 CONECT 1800 1799 CONECT 1801 1799 1802 1830 CONECT 1802 1801 1803 1828 1829 CONECT 1803 1802 1804 1805 CONECT 1804 1803 CONECT 1805 1803 1806 1827 CONECT 1806 1805 1807 1810 1826 CONECT 1807 1806 1808 1809 CONECT 1808 1807 CONECT 1809 1807 CONECT 1810 1806 1811 1824 1825 CONECT 1811 1810 1812 1822 1823 CONECT 1812 1811 1813 1820 1821 CONECT 1813 1812 1814 1818 1819 CONECT 1814 1813 1815 1816 1817 CONECT 1815 1814 CONECT 1816 1814 CONECT 1817 1814 CONECT 1818 1813 CONECT 1819 1813 CONECT 1820 1812 CONECT 1821 1812 CONECT 1822 1811 CONECT 1823 1811 CONECT 1824 1810 CONECT 1825 1810 CONECT 1826 1806 CONECT 1827 1805 CONECT 1828 1802 CONECT 1829 1802 CONECT 1830 1801 CONECT 1831 1798 1832 1833 1834 CONECT 1832 1831 CONECT 1833 1831 CONECT 1834 1831 CONECT 1835 1798 CONECT 1836 1797 CONECT 1837 1794 1838 1843 1844 CONECT 1838 1837 1839 CONECT 1839 1838 1840 CONECT 1840 1762 1839 1841 1842 CONECT 1841 1840 CONECT 1842 1840 CONECT 1843 1837 CONECT 1844 1837 CONECT 1845 1794 CONECT 1846 1793 CONECT 1847 1790 1848 1853 1854 CONECT 1848 1847 1849 1850 CONECT 1849 1848 CONECT 1850 1848 1851 1852 CONECT 1851 1850 CONECT 1852 1850 CONECT 1853 1847 CONECT 1854 1847 CONECT 1855 1790 CONECT 1856 1789 CONECT 1857 1786 1858 1873 1874 CONECT 1858 1857 1859 1862 CONECT 1859 1858 1860 1872 CONECT 1860 1859 1861 1871 CONECT 1861 1860 1862 1866 CONECT 1862 1858 1861 1863 CONECT 1863 1862 1864 1870 CONECT 1864 1863 1865 1869 CONECT 1865 1864 1866 1868 CONECT 1866 1861 1865 1867 CONECT 1867 1866 CONECT 1868 1865 CONECT 1869 1864 CONECT 1870 1863 CONECT 1871 1860 CONECT 1872 1859 CONECT 1873 1857 CONECT 1874 1857 CONECT 1875 1786 CONECT 1876 1785 CONECT 1877 1782 1878 1888 1889 CONECT 1878 1877 1879 1883 1887 CONECT 1879 1878 1880 1881 1882 CONECT 1880 1879 CONECT 1881 1879 CONECT 1882 1879 CONECT 1883 1878 1884 1885 1886 CONECT 1884 1883 CONECT 1885 1883 CONECT 1886 1883 CONECT 1887 1878 CONECT 1888 1877 CONECT 1889 1877 CONECT 1890 1782 CONECT 1891 1781 CONECT 1892 1778 1893 1899 1900 CONECT 1893 1892 1894 1897 1898 CONECT 1894 1777 1893 1895 1896 CONECT 1895 1894 CONECT 1896 1894 CONECT 1897 1893 CONECT 1898 1893 CONECT 1899 1892 CONECT 1900 1892 CONECT 1901 1778 CONECT 1902 1774 1903 1913 1914 CONECT 1903 1902 1904 1908 1912 CONECT 1904 1903 1905 1906 1907 CONECT 1905 1904 CONECT 1906 1904 CONECT 1907 1904 CONECT 1908 1903 1909 1910 1911 CONECT 1909 1908 CONECT 1910 1908 CONECT 1911 1908 CONECT 1912 1903 CONECT 1913 1902 CONECT 1914 1902 CONECT 1915 1774 CONECT 1916 1773 CONECT 1917 1770 1918 1930 1931 CONECT 1918 1917 1919 1923 CONECT 1919 1918 1920 1929 CONECT 1920 1919 1921 1928 CONECT 1921 1920 1922 1926 CONECT 1922 1921 1923 1925 CONECT 1923 1918 1922 1924 CONECT 1924 1923 CONECT 1925 1922 CONECT 1926 1921 1927 CONECT 1927 1926 CONECT 1928 1920 CONECT 1929 1919 CONECT 1930 1917 CONECT 1931 1917 CONECT 1932 1770 CONECT 1933 1769 CONECT 1934 1766 1935 1941 1942 CONECT 1935 1934 1936 1939 1940 CONECT 1936 1765 1935 1937 1938 CONECT 1937 1936 CONECT 1938 1936 CONECT 1939 1935 CONECT 1940 1935 CONECT 1941 1934 CONECT 1942 1934 CONECT 1943 1766 CONECT 1944 1762 CONECT 1945 1761 CONECT 1946 1758 1947 1953 1954 CONECT 1947 1946 1948 1951 1952 CONECT 1948 1757 1947 1949 1950 CONECT 1949 1948 CONECT 1950 1948 CONECT 1951 1947 CONECT 1952 1947 CONECT 1953 1946 CONECT 1954 1946 CONECT 1955 1758 CONECT 1956 1754 1957 1961 1965 CONECT 1957 1956 1958 1959 1960 CONECT 1958 1957 CONECT 1959 1957 CONECT 1960 1957 CONECT 1961 1956 1962 1963 1964 CONECT 1962 1961 CONECT 1963 1961 CONECT 1964 1961 CONECT 1965 1956 CONECT 1966 1754 CONECT 1967 1753 CONECT 1968 1753 CONECT 1969 1753 MASTER 0 0 0 0 0 0 0 0 1968 1 230 13 END
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Entry Information
PDB ID
5h5s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human phospholipid hydroperoxidase glutathione peroxidase (GPX4)
Ligand Name
14-mer
EC.Number
E.C.1.11.1.12
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=8.2uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochem. Biophys. Res. Commun. Vol. 482: pp. 195-201
Ligand Properties
Formula
C
7
3
H
1
0
9
N
1
7
O
1
7
S
2
Molecular Weight
1560.880
Exact Mass
1559.760
No. of atoms
218
No. of bonds
224
Polar Surface Area
574.22
LOGP Value
-0.37 (
Computed with XLOGP3
)
1.31 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 7
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)Cc1c[nH]c3c1cccc3)CC(C)C)CCC2)CC(C)C)C
InChI String
InChI=1S/C73H107N17O17S2/c1-38(2)29-48-62(95)81-50(32-43-34-77-46-16-9-8-15-45(43)46)64(97)82-51(33-58(75)92)65(98)86-53(66(99)79-41(7)61(94)78-35-59(93)80-47(73(106)107)17-10-11-25-74)36-108-109-37-54(87-69(102)57-20-14-28-90(57)72(105)60(76)40(5)6)71(104)89-27-13-19-56(89)68(101)84-49(31-42-21-23-44(91)24-22-42)63(96)85-52(30-39(3)4)70(103)88-26-12-18-55(88)67(100)83-48/h8-9,15-16,21-24,34,38-41,47-57,60,77,91H,10-14,17-20,25-33,35-37,74,76H2,1-7H3,(H2,75,92)(H,78,94)(H,79,99)(H,80,93)(H,81,95)(H,82,97)(H,83,100)(H,84,101)(H,85,96)(H,86,98)(H,87,102)(H,106,107)/p+2/t41-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P36969
Entrez Gene ID
NCBI Entrez Gene ID:
2879
ASD
Information of known allosteric effects of PDB entries
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