Browse entries in the PDBbind-CN Database
HEADER 4POV_COMPLEX COMPND 4POV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 178 LYS PHE ASN VAL ARG LEU LEU THR GLU ILE ALA PHE MET SEQRES 2 A 178 ALA ALA LEU ALA PHE ILE ILE SER LEU ILE PRO ASN THR SEQRES 3 A 178 VAL TYR GLY TRP ILE ILE VAL GLU ILE ALA CYS ILE PRO SEQRES 4 A 178 ILE LEU LEU LEU SER LEU ARG ARG GLY LEU THR ALA GLY SEQRES 5 A 178 LEU VAL GLY GLY LEU ILE TRP GLY ILE LEU SER MET ILE SEQRES 6 A 178 THR GLY HIS ALA TYR ILE LEU SER LEU SER GLN ALA PHE SEQRES 7 A 178 LEU GLU TYR LEU VAL ALA PRO VAL SER LEU GLY ILE ALA SEQRES 8 A 178 GLY LEU PHE ARG GLN LYS THR ALA PRO LEU LYS LEU ALA SEQRES 9 A 178 PRO VAL LEU LEU GLY THR PHE VAL ALA VAL LEU LEU LYS SEQRES 10 A 178 TYR PHE PHE HIS PHE ILE ALA GLY ILE ILE PHE TRP SER SEQRES 11 A 178 GLN TYR ALA TRP LYS GLY TRP GLY ALA VAL ALA TYR SER SEQRES 12 A 178 LEU ALA VAL ASN GLY ILE SER GLY ILE LEU THR ALA ILE SEQRES 13 A 178 ALA ALA PHE VAL ILE LEU ILE ILE PHE VAL LYS LYS PHE SEQRES 14 A 178 PRO LYS LEU PHE ILE HIS SER ASN TYR HET UNN A 212 32 ATOM 1 N LYS A 5 31.793 -20.022 61.660 1.00119.23 N ATOM 2 CA LYS A 5 32.009 -20.997 60.600 1.00114.80 C ATOM 3 C LYS A 5 31.807 -20.361 59.220 1.00110.41 C ATOM 4 O LYS A 5 32.325 -19.262 58.932 1.00 78.02 O ATOM 5 CB LYS A 5 31.069 -22.189 60.784 1.00 90.65 C ATOM 6 CG LYS A 5 29.589 -21.819 60.861 1.00 98.45 C ATOM 7 CD LYS A 5 28.886 -22.524 62.030 1.00105.47 C ATOM 8 CE LYS A 5 27.489 -21.935 62.226 1.00130.96 C ATOM 9 NZ LYS A 5 26.947 -22.129 63.603 1.00111.56 N ATOM 10 HZ1 LYS A 5 26.888 -23.146 63.811 1.00 0.00 H ATOM 11 HZ2 LYS A 5 27.578 -21.670 64.290 1.00 0.00 H ATOM 12 HZ3 LYS A 5 25.999 -21.706 63.664 1.00 0.00 H ATOM 13 HN3 LYS A 5 30.822 -19.656 61.600 1.00 0.00 H ATOM 14 HN2 LYS A 5 32.468 -19.238 61.551 1.00 0.00 H ATOM 15 HN1 LYS A 5 31.936 -20.478 62.584 1.00 0.00 H ATOM 16 N PHE A 6 31.062 -21.062 58.367 1.00 96.48 N ATOM 17 CA PHE A 6 30.641 -20.502 57.094 1.00 95.96 C ATOM 18 C PHE A 6 29.777 -19.262 57.344 1.00 92.62 C ATOM 19 O PHE A 6 29.876 -18.265 56.628 1.00 87.77 O ATOM 20 CB PHE A 6 29.859 -21.528 56.265 1.00 87.15 C ATOM 21 CG PHE A 6 29.352 -20.989 54.943 1.00112.70 C ATOM 22 CD1 PHE A 6 28.263 -20.123 54.890 1.00106.06 C ATOM 23 CD2 PHE A 6 29.964 -21.348 53.753 1.00115.57 C ATOM 24 CE1 PHE A 6 27.811 -19.631 53.689 1.00 99.98 C ATOM 25 CE2 PHE A 6 29.504 -20.863 52.546 1.00 98.93 C ATOM 26 CZ PHE A 6 28.428 -20.006 52.517 1.00100.60 C ATOM 27 H PHE A 6 30.776 -22.030 58.617 1.00 0.00 H ATOM 28 N ASN A 7 28.918 -19.349 58.354 1.00 90.12 N ATOM 29 CA ASN A 7 27.955 -18.300 58.633 1.00 85.86 C ATOM 30 C ASN A 7 28.597 -17.079 59.274 1.00 75.79 C ATOM 31 O ASN A 7 28.190 -15.944 58.995 1.00 69.24 O ATOM 32 CB ASN A 7 26.842 -18.837 59.530 1.00 91.23 C ATOM 33 CG ASN A 7 25.789 -19.592 58.755 1.00106.04 C ATOM 34 OD1 ASN A 7 25.776 -20.824 58.754 1.00134.45 O ATOM 35 ND2 ASN A 7 24.898 -18.858 58.083 1.00101.44 N ATOM 36 HD22 ASN A 7 24.950 -17.820 58.115 1.00 0.00 H ATOM 37 HD21 ASN A 7 24.152 -19.325 57.528 1.00 0.00 H ATOM 38 H ASN A 7 28.936 -20.193 58.962 1.00 0.00 H ATOM 39 N VAL A 8 29.582 -17.317 60.141 1.00 66.93 N ATOM 40 CA VAL A 8 30.329 -16.234 60.767 1.00 80.40 C ATOM 41 C VAL A 8 31.033 -15.450 59.665 1.00 73.18 C ATOM 42 O VAL A 8 30.991 -14.220 59.640 1.00 61.18 O ATOM 43 CB VAL A 8 31.350 -16.754 61.804 1.00 78.72 C ATOM 44 CG1 VAL A 8 32.222 -15.613 62.361 1.00 68.85 C ATOM 45 CG2 VAL A 8 30.629 -17.463 62.928 1.00107.42 C ATOM 46 H VAL A 8 29.823 -18.301 60.376 1.00 0.00 H ATOM 47 N ARG A 9 31.645 -16.186 58.746 1.00 65.81 N ATOM 48 CA ARG A 9 32.331 -15.609 57.599 1.00 68.77 C ATOM 49 C ARG A 9 31.366 -14.796 56.731 1.00 68.74 C ATOM 50 O ARG A 9 31.686 -13.684 56.314 1.00 57.26 O ATOM 51 CB ARG A 9 32.986 -16.719 56.783 1.00 81.65 C ATOM 52 CG ARG A 9 33.860 -16.269 55.628 1.00 95.31 C ATOM 53 CD ARG A 9 35.043 -17.231 55.432 1.00111.62 C ATOM 54 NE ARG A 9 35.344 -17.516 54.026 1.00112.81 N ATOM 55 CZ ARG A 9 35.629 -16.598 53.102 1.00111.38 C ATOM 56 NH1 ARG A 9 35.646 -15.295 53.402 1.00100.53 N ATOM 57 NH2 ARG A 9 35.893 -16.990 51.861 1.00 88.67 N ATOM 58 HE ARG A 9 35.335 -18.512 53.726 1.00 0.00 H ATOM 59 HH12 ARG A 9 35.871 -14.595 52.666 1.00 0.00 H ATOM 60 HH11 ARG A 9 35.434 -14.982 54.371 1.00 0.00 H ATOM 61 HH22 ARG A 9 36.117 -16.285 51.130 1.00 0.00 H ATOM 62 HH21 ARG A 9 35.876 -18.002 51.620 1.00 0.00 H ATOM 63 H ARG A 9 31.634 -17.221 58.850 1.00 0.00 H ATOM 64 N LEU A 10 30.179 -15.352 56.490 1.00 71.09 N ATOM 65 CA LEU A 10 29.162 -14.698 55.663 1.00 62.28 C ATOM 66 C LEU A 10 28.606 -13.436 56.322 1.00 54.76 C ATOM 67 O LEU A 10 28.426 -12.413 55.674 1.00 52.01 O ATOM 68 CB LEU A 10 28.013 -15.672 55.354 1.00 60.04 C ATOM 69 CG LEU A 10 26.805 -15.083 54.619 1.00 68.09 C ATOM 70 CD1 LEU A 10 27.203 -14.505 53.224 1.00 54.59 C ATOM 71 CD2 LEU A 10 25.720 -16.145 54.511 1.00 64.75 C ATOM 72 H LEU A 10 29.967 -16.283 56.903 1.00 0.00 H ATOM 73 N LEU A 11 28.326 -13.518 57.618 1.00 69.29 N ATOM 74 CA LEU A 11 27.809 -12.375 58.337 1.00 55.07 C ATOM 75 C LEU A 11 28.843 -11.266 58.400 1.00 56.34 C ATOM 76 O LEU A 11 28.477 -10.082 58.311 1.00 52.02 O ATOM 77 CB LEU A 11 27.367 -12.781 59.747 1.00 62.39 C ATOM 78 CG LEU A 11 25.971 -13.408 59.894 1.00 78.99 C ATOM 79 CD1 LEU A 11 25.461 -14.104 58.634 1.00 88.53 C ATOM 80 CD2 LEU A 11 25.981 -14.397 61.055 1.00 87.20 C ATOM 81 H LEU A 11 28.480 -14.415 58.121 1.00 0.00 H ATOM 82 N THR A 12 30.124 -11.617 58.551 1.00 54.46 N ATOM 83 CA THR A 12 31.139 -10.576 58.643 1.00 54.17 C ATOM 84 C THR A 12 31.175 -9.854 57.303 1.00 69.08 C ATOM 85 O THR A 12 31.265 -8.627 57.276 1.00 52.65 O ATOM 86 CB THR A 12 32.582 -11.090 58.995 1.00 54.75 C ATOM 87 OG1 THR A 12 33.021 -12.026 58.008 1.00103.49 O ATOM 88 CG2 THR A 12 32.630 -11.734 60.396 1.00 58.48 C ATOM 89 HG1 THR A 12 32.398 -12.795 57.983 1.00 0.00 H ATOM 90 H THR A 12 30.393 -12.620 58.602 1.00 0.00 H ATOM 91 N GLU A 13 31.089 -10.605 56.199 1.00 57.17 N ATOM 92 CA GLU A 13 31.217 -10.006 54.871 1.00 56.21 C ATOM 93 C GLU A 13 30.042 -9.051 54.607 1.00 56.50 C ATOM 94 O GLU A 13 30.247 -7.967 54.109 1.00 51.04 O ATOM 95 CB GLU A 13 31.287 -11.059 53.756 1.00 49.07 C ATOM 96 CG GLU A 13 32.598 -11.808 53.655 1.00 70.36 C ATOM 97 CD GLU A 13 32.645 -12.735 52.444 1.00 65.66 C ATOM 98 OE1 GLU A 13 31.689 -12.703 51.650 1.00 64.84 O ATOM 99 OE2 GLU A 13 33.628 -13.493 52.284 1.00 71.56 O ATOM 100 H GLU A 13 30.929 -11.629 56.286 1.00 0.00 H ATOM 101 N ILE A 14 28.825 -9.476 54.934 1.00 45.00 N ATOM 102 CA ILE A 14 27.658 -8.617 54.862 1.00 60.08 C ATOM 103 C ILE A 14 27.933 -7.322 55.639 1.00 70.73 C ATOM 104 O ILE A 14 27.829 -6.221 55.089 1.00 54.95 O ATOM 105 CB ILE A 14 26.417 -9.345 55.403 1.00 51.20 C ATOM 106 CG1 ILE A 14 26.099 -10.531 54.486 1.00 44.56 C ATOM 107 CG2 ILE A 14 25.210 -8.395 55.531 1.00 61.06 C ATOM 108 CD1 ILE A 14 24.975 -11.410 54.968 1.00 45.66 C ATOM 109 H ILE A 14 28.706 -10.459 55.253 1.00 0.00 H ATOM 110 N ALA A 15 28.349 -7.454 56.889 1.00 53.36 N ATOM 111 CA ALA A 15 28.556 -6.278 57.734 1.00 52.84 C ATOM 112 C ALA A 15 29.620 -5.330 57.182 1.00 56.01 C ATOM 113 O ALA A 15 29.426 -4.108 57.165 1.00 54.32 O ATOM 114 CB ALA A 15 28.919 -6.690 59.126 1.00 55.19 C ATOM 115 H ALA A 15 28.530 -8.403 57.274 1.00 0.00 H ATOM 116 N PHE A 16 30.737 -5.889 56.738 1.00 58.23 N ATOM 117 CA PHE A 16 31.831 -5.073 56.227 1.00 62.02 C ATOM 118 C PHE A 16 31.418 -4.319 54.957 1.00 54.71 C ATOM 119 O PHE A 16 31.799 -3.170 54.774 1.00 51.03 O ATOM 120 CB PHE A 16 33.087 -5.931 55.942 1.00 66.28 C ATOM 121 CG PHE A 16 34.294 -5.128 55.470 1.00102.31 C ATOM 122 CD1 PHE A 16 34.743 -4.016 56.182 1.00124.34 C ATOM 123 CD2 PHE A 16 34.982 -5.488 54.315 1.00 95.97 C ATOM 124 CE1 PHE A 16 35.851 -3.282 55.737 1.00117.10 C ATOM 125 CE2 PHE A 16 36.089 -4.766 53.879 1.00108.12 C ATOM 126 CZ PHE A 16 36.521 -3.667 54.585 1.00107.21 C ATOM 127 H PHE A 16 30.834 -6.924 56.755 1.00 0.00 H ATOM 128 N MET A 17 30.696 -4.970 54.053 1.00 46.72 N ATOM 129 CA MET A 17 30.343 -4.300 52.808 1.00 70.79 C ATOM 130 C MET A 17 29.295 -3.215 53.070 1.00 68.00 C ATOM 131 O MET A 17 29.322 -2.185 52.439 1.00 46.34 O ATOM 132 CB MET A 17 29.826 -5.298 51.767 1.00 57.53 C ATOM 133 CG MET A 17 30.861 -6.223 51.228 1.00 68.67 C ATOM 134 SD MET A 17 32.212 -5.395 50.428 1.00 50.73 S ATOM 135 CE MET A 17 33.478 -5.533 51.658 1.00 75.41 C ATOM 136 H MET A 17 30.386 -5.947 54.231 1.00 0.00 H ATOM 137 N ALA A 18 28.375 -3.458 53.995 1.00 55.83 N ATOM 138 CA ALA A 18 27.403 -2.440 54.384 1.00 67.47 C ATOM 139 C ALA A 18 28.105 -1.235 55.007 1.00 55.74 C ATOM 140 O ALA A 18 27.763 -0.103 54.682 1.00 45.82 O ATOM 141 CB ALA A 18 26.374 -3.004 55.351 1.00 63.16 C ATOM 142 H ALA A 18 28.346 -4.392 54.452 1.00 0.00 H ATOM 143 N ALA A 19 29.082 -1.466 55.885 1.00 53.88 N ATOM 144 CA ALA A 19 29.821 -0.365 56.504 1.00 59.50 C ATOM 145 C ALA A 19 30.687 0.372 55.478 1.00 48.71 C ATOM 146 O ALA A 19 30.862 1.596 55.571 1.00 52.96 O ATOM 147 CB ALA A 19 30.681 -0.854 57.640 1.00 50.82 C ATOM 148 H ALA A 19 29.323 -2.446 56.134 1.00 0.00 H ATOM 149 N LEU A 20 31.217 -0.369 54.513 1.00 49.57 N ATOM 150 CA LEU A 20 31.958 0.218 53.390 1.00 57.65 C ATOM 151 C LEU A 20 31.079 1.035 52.429 1.00 44.31 C ATOM 152 O LEU A 20 31.476 2.112 52.010 1.00 41.32 O ATOM 153 CB LEU A 20 32.677 -0.855 52.589 1.00 56.00 C ATOM 154 CG LEU A 20 33.698 -0.333 51.577 1.00 62.54 C ATOM 155 CD1 LEU A 20 34.753 0.521 52.271 1.00 52.60 C ATOM 156 CD2 LEU A 20 34.360 -1.488 50.832 1.00 60.96 C ATOM 157 H LEU A 20 31.103 -1.402 54.554 1.00 0.00 H ATOM 158 N ALA A 21 29.896 0.542 52.091 1.00 44.96 N ATOM 159 CA ALA A 21 28.969 1.352 51.320 1.00 47.47 C ATOM 160 C ALA A 21 28.729 2.681 52.052 1.00 48.90 C ATOM 161 O ALA A 21 28.830 3.759 51.466 1.00 44.29 O ATOM 162 CB ALA A 21 27.630 0.614 51.088 1.00 39.29 C ATOM 163 H ALA A 21 29.632 -0.422 52.377 1.00 0.00 H ATOM 164 N PHE A 22 28.417 2.587 53.334 1.00 58.49 N ATOM 165 CA PHE A 22 28.184 3.765 54.139 1.00 55.95 C ATOM 166 C PHE A 22 29.375 4.719 54.136 1.00 58.94 C ATOM 167 O PHE A 22 29.181 5.912 53.931 1.00 47.75 O ATOM 168 CB PHE A 22 27.844 3.404 55.586 1.00 49.64 C ATOM 169 CG PHE A 22 27.883 4.614 56.513 1.00 56.81 C ATOM 170 CD1 PHE A 22 26.872 5.570 56.464 1.00 51.29 C ATOM 171 CD2 PHE A 22 28.972 4.832 57.366 1.00 64.84 C ATOM 172 CE1 PHE A 22 26.929 6.728 57.289 1.00 72.28 C ATOM 173 CE2 PHE A 22 29.032 5.972 58.197 1.00 90.50 C ATOM 174 CZ PHE A 22 28.014 6.921 58.156 1.00 65.14 C ATOM 175 H PHE A 22 28.338 1.647 53.772 1.00 0.00 H ATOM 176 N ILE A 23 30.588 4.205 54.350 1.00 48.56 N ATOM 177 CA ILE A 23 31.786 5.045 54.396 1.00 46.97 C ATOM 178 C ILE A 23 32.026 5.750 53.054 1.00 52.77 C ATOM 179 O ILE A 23 32.375 6.941 53.008 1.00 56.11 O ATOM 180 CB ILE A 23 33.031 4.214 54.769 1.00 52.63 C ATOM 181 CG1 ILE A 23 32.941 3.745 56.215 1.00 69.96 C ATOM 182 CG2 ILE A 23 34.322 5.014 54.567 1.00 59.69 C ATOM 183 CD1 ILE A 23 33.842 2.575 56.507 1.00 73.60 C ATOM 184 H ILE A 23 30.685 3.179 54.488 1.00 0.00 H ATOM 185 N ILE A 24 31.844 5.016 51.963 1.00 48.33 N ATOM 186 CA ILE A 24 31.936 5.608 50.638 1.00 48.56 C ATOM 187 C ILE A 24 30.803 6.632 50.393 1.00 43.97 C ATOM 188 O ILE A 24 31.017 7.602 49.683 1.00 41.17 O ATOM 189 CB ILE A 24 31.912 4.522 49.537 1.00 40.90 C ATOM 190 CG1 ILE A 24 33.223 3.716 49.555 1.00 59.77 C ATOM 191 CG2 ILE A 24 31.683 5.131 48.135 1.00 37.09 C ATOM 192 CD1 ILE A 24 33.187 2.464 48.692 1.00 64.87 C ATOM 193 H ILE A 24 31.632 4.002 52.057 1.00 0.00 H ATOM 194 N SER A 25 29.626 6.444 50.987 1.00 48.64 N ATOM 195 CA SER A 25 28.526 7.409 50.829 1.00 54.76 C ATOM 196 C SER A 25 28.873 8.800 51.393 1.00 59.23 C ATOM 197 O SER A 25 28.138 9.750 51.170 1.00 65.08 O ATOM 198 CB SER A 25 27.237 6.905 51.501 1.00 49.68 C ATOM 199 OG SER A 25 27.207 7.148 52.915 1.00 50.87 O ATOM 200 HG SER A 25 27.970 6.686 53.344 1.00 0.00 H ATOM 201 H SER A 25 29.481 5.598 51.574 1.00 0.00 H ATOM 202 N LEU A 26 29.993 8.913 52.106 1.00 55.87 N ATOM 203 CA LEU A 26 30.424 10.197 52.692 1.00 61.62 C ATOM 204 C LEU A 26 31.243 11.027 51.692 1.00 67.26 C ATOM 205 O LEU A 26 31.394 12.247 51.836 1.00 65.62 O ATOM 206 CB LEU A 26 31.238 9.950 53.973 1.00 60.88 C ATOM 207 CG LEU A 26 30.530 9.178 55.107 1.00 63.00 C ATOM 208 CD1 LEU A 26 31.484 8.890 56.255 1.00 67.67 C ATOM 209 CD2 LEU A 26 29.315 9.946 55.606 1.00 69.04 C ATOM 210 H LEU A 26 30.582 8.069 52.254 1.00 0.00 H ATOM 211 N ILE A 27 31.759 10.360 50.667 1.00 63.17 N ATOM 212 CA ILE A 27 32.452 11.032 49.578 1.00 56.07 C ATOM 213 C ILE A 27 31.460 11.900 48.773 1.00 48.54 C ATOM 214 O ILE A 27 30.431 11.410 48.363 1.00 49.10 O ATOM 215 CB ILE A 27 33.135 10.003 48.657 1.00 75.21 C ATOM 216 CG1 ILE A 27 34.149 9.190 49.471 1.00 68.80 C ATOM 217 CG2 ILE A 27 33.788 10.694 47.476 1.00 73.03 C ATOM 218 CD1 ILE A 27 35.007 8.238 48.678 1.00 63.52 C ATOM 219 H ILE A 27 31.665 9.325 50.641 1.00 0.00 H ATOM 220 N PRO A 28 31.735 13.215 48.615 1.00 51.13 N ATOM 221 CA PRO A 28 30.850 14.057 47.786 1.00 50.98 C ATOM 222 C PRO A 28 30.649 13.493 46.393 1.00 55.75 C ATOM 223 O PRO A 28 31.657 13.195 45.769 1.00 56.90 O ATOM 224 CB PRO A 28 31.598 15.390 47.723 1.00 67.75 C ATOM 225 CG PRO A 28 32.328 15.462 49.022 1.00 69.51 C ATOM 226 CD PRO A 28 32.755 14.025 49.313 1.00 61.77 C ATOM 227 N ASN A 29 29.402 13.387 45.915 1.00 50.03 N ATOM 228 CA ASN A 29 29.091 12.664 44.681 1.00 60.08 C ATOM 229 C ASN A 29 28.037 13.384 43.829 1.00 62.80 C ATOM 230 O ASN A 29 27.387 12.794 42.944 1.00 53.30 O ATOM 231 CB ASN A 29 28.613 11.241 45.031 1.00 53.10 C ATOM 232 CG ASN A 29 27.278 11.234 45.716 1.00 50.75 C ATOM 233 OD1 ASN A 29 26.810 12.268 46.208 1.00 49.98 O ATOM 234 ND2 ASN A 29 26.625 10.075 45.729 1.00 54.43 N ATOM 235 HD22 ASN A 29 27.057 9.230 45.303 1.00 0.00 H ATOM 236 HD21 ASN A 29 25.683 10.014 46.165 1.00 0.00 H ATOM 237 H ASN A 29 28.625 13.836 46.441 1.00 0.00 H ATOM 238 N THR A 30 27.863 14.664 44.119 1.00 54.36 N ATOM 239 CA THR A 30 26.893 15.489 43.426 1.00 57.18 C ATOM 240 C THR A 30 27.450 15.991 42.093 1.00 52.56 C ATOM 241 O THR A 30 28.539 16.573 42.031 1.00 49.84 O ATOM 242 CB THR A 30 26.468 16.686 44.322 1.00 51.86 C ATOM 243 OG1 THR A 30 25.650 16.190 45.392 1.00 59.95 O ATOM 244 CG2 THR A 30 25.703 17.760 43.522 1.00 50.73 C ATOM 245 HG1 THR A 30 26.168 15.536 45.926 1.00 0.00 H ATOM 246 H THR A 30 28.442 15.092 44.869 1.00 0.00 H ATOM 247 N VAL A 31 26.696 15.764 41.027 1.00 42.23 N ATOM 248 CA VAL A 31 27.072 16.283 39.712 1.00 44.85 C ATOM 249 C VAL A 31 26.416 17.633 39.481 1.00 55.41 C ATOM 250 O VAL A 31 27.080 18.599 39.099 1.00 48.72 O ATOM 251 CB VAL A 31 26.669 15.313 38.577 1.00 45.13 C ATOM 252 CG1 VAL A 31 26.897 15.953 37.174 1.00 60.85 C ATOM 253 CG2 VAL A 31 27.440 14.016 38.716 1.00 41.28 C ATOM 254 H VAL A 31 25.823 15.208 41.127 1.00 0.00 H ATOM 255 N TYR A 32 25.106 17.677 39.717 1.00 50.12 N ATOM 256 CA TYR A 32 24.295 18.887 39.576 1.00 48.89 C ATOM 257 C TYR A 32 23.000 18.620 40.313 1.00 55.14 C ATOM 258 O TYR A 32 22.246 17.730 39.918 1.00 46.32 O ATOM 259 CB TYR A 32 24.032 19.229 38.099 1.00 50.46 C ATOM 260 CG TYR A 32 23.186 20.476 37.906 1.00 77.38 C ATOM 261 CD1 TYR A 32 23.742 21.755 37.990 1.00 87.64 C ATOM 262 CD2 TYR A 32 21.830 20.368 37.649 1.00 74.03 C ATOM 263 CE1 TYR A 32 22.950 22.895 37.835 1.00 82.41 C ATOM 264 CE2 TYR A 32 21.045 21.472 37.493 1.00 77.97 C ATOM 265 CZ TYR A 32 21.607 22.737 37.585 1.00 84.84 C ATOM 266 OH TYR A 32 20.788 23.805 37.419 1.00 77.77 O ATOM 267 HH TYR A 32 21.313 24.639 37.509 1.00 0.00 H ATOM 268 H TYR A 32 24.632 16.802 40.019 1.00 0.00 H ATOM 269 N GLY A 33 22.750 19.352 41.398 1.00 52.72 N ATOM 270 CA GLY A 33 21.586 19.098 42.245 1.00 48.34 C ATOM 271 C GLY A 33 21.495 17.637 42.705 1.00 44.73 C ATOM 272 O GLY A 33 22.460 17.099 43.266 1.00 52.50 O ATOM 273 H GLY A 33 23.400 20.124 41.649 1.00 0.00 H ATOM 274 N TRP A 34 20.348 16.994 42.471 1.00 43.50 N ATOM 275 CA TRP A 34 20.143 15.590 42.905 1.00 45.03 C ATOM 276 C TRP A 34 20.604 14.595 41.826 1.00 48.34 C ATOM 277 O TRP A 34 20.366 13.403 41.945 1.00 45.72 O ATOM 278 CB TRP A 34 18.674 15.346 43.273 1.00 52.76 C ATOM 279 CG TRP A 34 18.428 15.433 44.751 1.00 55.04 C ATOM 280 CD1 TRP A 34 17.746 16.420 45.428 1.00 52.38 C ATOM 281 CD2 TRP A 34 18.883 14.506 45.742 1.00 44.26 C ATOM 282 NE1 TRP A 34 17.755 16.151 46.778 1.00 51.84 N ATOM 283 CE2 TRP A 34 18.439 14.979 46.994 1.00 51.95 C ATOM 284 CE3 TRP A 34 19.610 13.298 45.687 1.00 49.62 C ATOM 285 CZ2 TRP A 34 18.708 14.301 48.182 1.00 48.25 C ATOM 286 CZ3 TRP A 34 19.867 12.626 46.865 1.00 48.05 C ATOM 287 CH2 TRP A 34 19.429 13.134 48.097 1.00 48.80 C ATOM 288 HE1 TRP A 34 17.316 16.739 47.515 1.00 0.00 H ATOM 289 H TRP A 34 19.581 17.489 41.973 1.00 0.00 H ATOM 290 N ILE A 35 21.246 15.095 40.764 1.00 53.24 N ATOM 291 CA ILE A 35 21.953 14.205 39.843 1.00 55.44 C ATOM 292 C ILE A 35 23.304 13.851 40.468 1.00 50.04 C ATOM 293 O ILE A 35 24.163 14.713 40.664 1.00 46.76 O ATOM 294 CB ILE A 35 22.152 14.808 38.439 1.00 48.70 C ATOM 295 CG1 ILE A 35 20.792 15.045 37.786 1.00 46.90 C ATOM 296 CG2 ILE A 35 22.990 13.864 37.573 1.00 38.09 C ATOM 297 CD1 ILE A 35 20.861 15.917 36.587 1.00 46.53 C ATOM 298 H ILE A 35 21.242 16.121 40.592 1.00 0.00 H ATOM 299 N ILE A 36 23.462 12.574 40.783 1.00 45.82 N ATOM 300 CA ILE A 36 24.583 12.097 41.590 1.00 33.35 C ATOM 301 C ILE A 36 25.177 10.862 40.932 1.00 39.60 C ATOM 302 O ILE A 36 24.510 10.198 40.096 1.00 37.21 O ATOM 303 CB ILE A 36 24.148 11.757 43.040 1.00 34.85 C ATOM 304 CG1 ILE A 36 23.079 10.658 43.045 1.00 40.49 C ATOM 305 CG2 ILE A 36 23.638 13.023 43.791 1.00 37.29 C ATOM 306 CD1 ILE A 36 22.840 10.125 44.430 1.00 37.39 C ATOM 307 H ILE A 36 22.761 11.885 40.443 1.00 0.00 H ATOM 308 N VAL A 37 26.425 10.587 41.297 1.00 41.53 N ATOM 309 CA VAL A 37 27.092 9.323 40.987 1.00 43.68 C ATOM 310 C VAL A 37 27.164 8.419 42.246 1.00 37.76 C ATOM 311 O VAL A 37 28.039 8.593 43.110 1.00 36.28 O ATOM 312 CB VAL A 37 28.509 9.569 40.475 1.00 49.82 C ATOM 313 CG1 VAL A 37 29.030 8.309 39.803 1.00 41.86 C ATOM 314 CG2 VAL A 37 28.593 10.809 39.513 1.00 38.76 C ATOM 315 H VAL A 37 26.954 11.307 41.830 1.00 0.00 H ATOM 316 N GLU A 38 26.267 7.454 42.401 1.00 37.68 N ATOM 317 CA GLU A 38 26.250 6.750 43.702 1.00 32.86 C ATOM 318 C GLU A 38 27.234 5.573 43.813 1.00 31.81 C ATOM 319 O GLU A 38 26.813 4.424 43.870 1.00 39.24 O ATOM 320 CB GLU A 38 24.838 6.271 44.044 1.00 41.48 C ATOM 321 CG GLU A 38 24.680 5.893 45.546 1.00 39.50 C ATOM 322 CD GLU A 38 23.223 5.645 45.955 1.00 40.12 C ATOM 323 OE1 GLU A 38 22.419 5.252 45.082 1.00 40.23 O ATOM 324 OE2 GLU A 38 22.881 5.848 47.139 1.00 49.40 O ATOM 325 H GLU A 38 25.604 7.203 41.640 1.00 0.00 H ATOM 326 N ILE A 39 28.536 5.886 43.902 1.00 30.34 N ATOM 327 CA ILE A 39 29.575 4.896 44.018 1.00 38.38 C ATOM 328 C ILE A 39 29.411 4.031 45.265 1.00 46.11 C ATOM 329 O ILE A 39 30.054 2.985 45.389 1.00 49.94 O ATOM 330 CB ILE A 39 30.980 5.542 44.040 1.00 43.73 C ATOM 331 CG1 ILE A 39 31.017 6.695 45.031 1.00 38.71 C ATOM 332 CG2 ILE A 39 31.349 6.023 42.667 1.00 59.82 C ATOM 333 CD1 ILE A 39 32.385 7.226 45.324 1.00 40.75 C ATOM 334 H ILE A 39 28.807 6.890 43.886 1.00 0.00 H ATOM 335 N ALA A 40 28.580 4.485 46.203 1.00 43.49 N ATOM 336 CA ALA A 40 28.399 3.753 47.435 1.00 39.85 C ATOM 337 C ALA A 40 27.592 2.463 47.176 1.00 39.18 C ATOM 338 O ALA A 40 27.499 1.612 48.054 1.00 39.47 O ATOM 339 CB ALA A 40 27.705 4.609 48.459 1.00 35.33 C ATOM 340 H ALA A 40 28.059 5.371 46.047 1.00 0.00 H ATOM 341 N CYS A 41 27.006 2.353 45.980 1.00 42.58 N ATOM 342 CA CYS A 41 26.267 1.171 45.588 1.00 41.30 C ATOM 343 C CYS A 41 27.198 -0.051 45.447 1.00 54.67 C ATOM 344 O CYS A 41 26.795 -1.197 45.626 1.00 42.65 O ATOM 345 CB CYS A 41 25.538 1.422 44.282 1.00 36.05 C ATOM 346 SG CYS A 41 24.031 2.407 44.453 1.00 42.96 S ATOM 347 H CYS A 41 27.083 3.143 45.308 1.00 0.00 H ATOM 348 N ILE A 42 28.454 0.218 45.150 1.00 38.22 N ATOM 349 CA ILE A 42 29.317 -0.794 44.584 1.00 46.27 C ATOM 350 C ILE A 42 29.622 -1.932 45.594 1.00 35.46 C ATOM 351 O ILE A 42 29.508 -3.092 45.225 1.00 32.70 O ATOM 352 CB ILE A 42 30.583 -0.131 44.035 1.00 44.55 C ATOM 353 CG1 ILE A 42 30.191 0.687 42.791 1.00 36.28 C ATOM 354 CG2 ILE A 42 31.632 -1.134 43.642 1.00 46.03 C ATOM 355 CD1 ILE A 42 31.299 1.657 42.366 1.00 42.72 C ATOM 356 H ILE A 42 28.829 1.172 45.325 1.00 0.00 H ATOM 357 N PRO A 43 29.917 -1.610 46.866 1.00 49.93 N ATOM 358 CA PRO A 43 30.146 -2.729 47.789 1.00 56.13 C ATOM 359 C PRO A 43 28.906 -3.607 47.975 1.00 41.02 C ATOM 360 O PRO A 43 29.059 -4.794 48.254 1.00 48.11 O ATOM 361 CB PRO A 43 30.536 -2.032 49.090 1.00 59.61 C ATOM 362 CG PRO A 43 31.014 -0.683 48.663 1.00 55.55 C ATOM 363 CD PRO A 43 30.206 -0.310 47.500 1.00 47.08 C ATOM 364 N ILE A 44 27.702 -3.056 47.817 1.00 44.62 N ATOM 365 CA ILE A 44 26.488 -3.872 47.931 1.00 34.95 C ATOM 366 C ILE A 44 26.358 -4.744 46.713 1.00 44.69 C ATOM 367 O ILE A 44 25.992 -5.915 46.828 1.00 41.82 O ATOM 368 CB ILE A 44 25.210 -3.024 48.132 1.00 38.90 C ATOM 369 CG1 ILE A 44 25.362 -2.183 49.403 1.00 50.40 C ATOM 370 CG2 ILE A 44 23.943 -3.945 48.235 1.00 38.25 C ATOM 371 CD1 ILE A 44 25.729 -2.989 50.663 1.00 45.24 C ATOM 372 H ILE A 44 27.623 -2.040 47.611 1.00 0.00 H ATOM 373 N LEU A 45 26.727 -4.197 45.559 1.00 41.60 N ATOM 374 CA LEU A 45 26.671 -4.951 44.308 1.00 45.43 C ATOM 375 C LEU A 45 27.681 -6.118 44.286 1.00 42.31 C ATOM 376 O LEU A 45 27.363 -7.218 43.838 1.00 44.61 O ATOM 377 CB LEU A 45 26.926 -4.027 43.121 1.00 41.32 C ATOM 378 CG LEU A 45 25.853 -2.985 42.841 1.00 37.04 C ATOM 379 CD1 LEU A 45 26.350 -1.874 41.883 1.00 34.35 C ATOM 380 CD2 LEU A 45 24.641 -3.642 42.270 1.00 34.11 C ATOM 381 H LEU A 45 27.062 -3.213 45.546 1.00 0.00 H ATOM 382 N LEU A 46 28.895 -5.846 44.752 1.00 28.95 N ATOM 383 CA LEU A 46 29.931 -6.843 44.851 1.00 44.06 C ATOM 384 C LEU A 46 29.484 -7.968 45.799 1.00 48.13 C ATOM 385 O LEU A 46 29.612 -9.153 45.492 1.00 40.66 O ATOM 386 CB LEU A 46 31.233 -6.205 45.329 1.00 42.87 C ATOM 387 CG LEU A 46 32.404 -7.178 45.483 1.00 57.23 C ATOM 388 CD1 LEU A 46 32.616 -7.981 44.209 1.00 58.29 C ATOM 389 CD2 LEU A 46 33.682 -6.424 45.850 1.00 62.95 C ATOM 390 H LEU A 46 29.106 -4.875 45.058 1.00 0.00 H ATOM 391 N LEU A 47 28.939 -7.566 46.940 1.00 41.23 N ATOM 392 CA LEU A 47 28.434 -8.500 47.925 1.00 36.30 C ATOM 393 C LEU A 47 27.323 -9.380 47.368 1.00 48.27 C ATOM 394 O LEU A 47 27.309 -10.594 47.609 1.00 43.52 O ATOM 395 CB LEU A 47 27.912 -7.745 49.159 1.00 35.68 C ATOM 396 CG LEU A 47 27.094 -8.533 50.149 1.00 38.69 C ATOM 397 CD1 LEU A 47 28.011 -9.592 50.781 1.00 38.14 C ATOM 398 CD2 LEU A 47 26.461 -7.596 51.209 1.00 43.47 C ATOM 399 H LEU A 47 28.872 -6.546 47.133 1.00 0.00 H ATOM 400 N SER A 48 26.374 -8.745 46.687 1.00 41.37 N ATOM 401 CA SER A 48 25.263 -9.450 46.101 1.00 34.38 C ATOM 402 C SER A 48 25.831 -10.433 45.074 1.00 55.08 C ATOM 403 O SER A 48 25.376 -11.567 44.980 1.00 42.43 O ATOM 404 CB SER A 48 24.260 -8.480 45.454 1.00 37.04 C ATOM 405 OG SER A 48 23.717 -7.537 46.401 1.00 35.97 O ATOM 406 HG SER A 48 24.453 -7.002 46.791 1.00 0.00 H ATOM 407 H SER A 48 26.435 -7.713 46.575 1.00 0.00 H ATOM 408 N LEU A 49 26.843 -10.029 44.313 1.00 34.38 N ATOM 409 CA LEU A 49 27.240 -10.878 43.199 1.00 33.08 C ATOM 410 C LEU A 49 28.074 -12.068 43.693 1.00 41.44 C ATOM 411 O LEU A 49 28.148 -13.084 43.026 1.00 40.11 O ATOM 412 CB LEU A 49 28.024 -10.123 42.137 1.00 33.34 C ATOM 413 CG LEU A 49 27.251 -9.214 41.191 1.00 40.19 C ATOM 414 CD1 LEU A 49 28.176 -8.068 40.742 1.00 36.33 C ATOM 415 CD2 LEU A 49 26.699 -9.956 39.980 1.00 46.34 C ATOM 416 H LEU A 49 27.336 -9.134 44.507 1.00 0.00 H ATOM 417 N ARG A 50 28.693 -11.921 44.851 1.00 36.49 N ATOM 418 CA ARG A 50 29.599 -12.932 45.358 1.00 54.22 C ATOM 419 C ARG A 50 28.822 -13.939 46.185 1.00 50.40 C ATOM 420 O ARG A 50 29.088 -15.139 46.113 1.00 56.54 O ATOM 421 CB ARG A 50 30.708 -12.247 46.161 1.00 51.88 C ATOM 422 CG ARG A 50 31.552 -13.091 47.092 1.00 64.68 C ATOM 423 CD ARG A 50 32.260 -12.152 48.065 1.00 69.27 C ATOM 424 NE ARG A 50 32.949 -12.864 49.123 1.00 74.06 N ATOM 425 CZ ARG A 50 34.197 -13.309 49.042 1.00 68.96 C ATOM 426 NH1 ARG A 50 34.895 -13.132 47.928 1.00 68.05 N ATOM 427 NH2 ARG A 50 34.743 -13.961 50.065 1.00 73.36 N ATOM 428 HE ARG A 50 32.430 -13.038 50.007 1.00 0.00 H ATOM 429 HH12 ARG A 50 35.873 -13.481 47.866 1.00 0.00 H ATOM 430 HH11 ARG A 50 34.465 -12.644 47.117 1.00 0.00 H ATOM 431 HH22 ARG A 50 35.721 -14.308 49.998 1.00 0.00 H ATOM 432 HH21 ARG A 50 34.192 -14.124 50.932 1.00 0.00 H ATOM 433 H ARG A 50 28.526 -11.061 45.411 1.00 0.00 H ATOM 434 N ARG A 51 27.845 -13.438 46.943 1.00 42.68 N ATOM 435 CA ARG A 51 27.169 -14.214 47.990 1.00 49.69 C ATOM 436 C ARG A 51 25.692 -14.444 47.723 1.00 47.57 C ATOM 437 O ARG A 51 25.034 -15.207 48.426 1.00 52.83 O ATOM 438 CB ARG A 51 27.332 -13.521 49.349 1.00 42.53 C ATOM 439 CG ARG A 51 28.737 -13.534 49.848 1.00 62.16 C ATOM 440 CD ARG A 51 29.259 -14.969 49.913 1.00 71.15 C ATOM 441 NE ARG A 51 30.339 -15.048 50.872 1.00 64.37 N ATOM 442 CZ ARG A 51 30.455 -15.966 51.820 1.00 72.30 C ATOM 443 NH1 ARG A 51 29.571 -16.956 51.949 1.00 70.30 N ATOM 444 NH2 ARG A 51 31.484 -15.891 52.637 1.00 60.33 N ATOM 445 HE ARG A 51 31.085 -14.326 50.812 1.00 0.00 H ATOM 446 HH12 ARG A 51 29.688 -17.663 52.703 1.00 0.00 H ATOM 447 HH11 ARG A 51 28.765 -17.022 51.295 1.00 0.00 H ATOM 448 HH22 ARG A 51 31.602 -16.597 53.391 1.00 0.00 H ATOM 449 HH21 ARG A 51 32.179 -15.125 52.529 1.00 0.00 H ATOM 450 H ARG A 51 27.549 -12.454 46.785 1.00 0.00 H ATOM 451 N GLY A 52 25.174 -13.784 46.703 1.00 44.65 N ATOM 452 CA GLY A 52 23.818 -14.028 46.264 1.00 42.26 C ATOM 453 C GLY A 52 22.758 -13.107 46.855 1.00 48.29 C ATOM 454 O GLY A 52 23.035 -12.210 47.648 1.00 48.26 O ATOM 455 H GLY A 52 25.752 -13.076 46.207 1.00 0.00 H ATOM 456 N LEU A 53 21.523 -13.382 46.459 1.00 44.99 N ATOM 457 CA LEU A 53 20.405 -12.489 46.660 1.00 47.55 C ATOM 458 C LEU A 53 20.202 -12.066 48.125 1.00 48.76 C ATOM 459 O LEU A 53 20.173 -10.875 48.448 1.00 52.09 O ATOM 460 CB LEU A 53 19.126 -13.169 46.132 1.00 40.40 C ATOM 461 CG LEU A 53 17.824 -12.404 46.418 1.00 52.14 C ATOM 462 CD1 LEU A 53 17.778 -11.077 45.587 1.00 61.95 C ATOM 463 CD2 LEU A 53 16.628 -13.261 46.143 1.00 54.05 C ATOM 464 H LEU A 53 21.350 -14.288 45.979 1.00 0.00 H ATOM 465 N THR A 54 20.030 -13.045 48.993 1.00 45.41 N ATOM 466 CA THR A 54 19.671 -12.789 50.392 1.00 46.96 C ATOM 467 C THR A 54 20.744 -11.966 51.094 1.00 52.33 C ATOM 468 O THR A 54 20.424 -10.988 51.771 1.00 41.54 O ATOM 469 CB THR A 54 19.448 -14.129 51.136 1.00 50.09 C ATOM 470 OG1 THR A 54 18.364 -14.817 50.505 1.00 56.44 O ATOM 471 CG2 THR A 54 19.125 -13.897 52.614 1.00 44.89 C ATOM 472 HG1 THR A 54 18.591 -14.988 49.557 1.00 0.00 H ATOM 473 H THR A 54 20.153 -14.028 48.676 1.00 0.00 H ATOM 474 N ALA A 55 22.008 -12.348 50.904 1.00 43.08 N ATOM 475 CA ALA A 55 23.126 -11.611 51.465 1.00 48.87 C ATOM 476 C ALA A 55 23.057 -10.120 51.060 1.00 43.66 C ATOM 477 O ALA A 55 23.163 -9.248 51.909 1.00 48.18 O ATOM 478 CB ALA A 55 24.426 -12.208 51.018 1.00 55.09 C ATOM 479 H ALA A 55 22.198 -13.199 50.337 1.00 0.00 H ATOM 480 N GLY A 56 22.912 -9.879 49.759 1.00 40.19 N ATOM 481 CA GLY A 56 22.746 -8.564 49.165 1.00 42.14 C ATOM 482 C GLY A 56 21.572 -7.745 49.664 1.00 45.81 C ATOM 483 O GLY A 56 21.749 -6.578 49.949 1.00 41.67 O ATOM 484 H GLY A 56 22.918 -10.697 49.117 1.00 0.00 H ATOM 485 N LEU A 57 20.386 -8.342 49.746 1.00 45.78 N ATOM 486 CA LEU A 57 19.218 -7.688 50.330 1.00 56.65 C ATOM 487 C LEU A 57 19.550 -7.161 51.732 1.00 61.63 C ATOM 488 O LEU A 57 19.243 -6.028 52.069 1.00 59.31 O ATOM 489 CB LEU A 57 18.023 -8.662 50.405 1.00 45.21 C ATOM 490 CG LEU A 57 17.440 -9.173 49.085 1.00 48.68 C ATOM 491 CD1 LEU A 57 16.310 -10.204 49.327 1.00 41.95 C ATOM 492 CD2 LEU A 57 16.964 -8.014 48.210 1.00 42.68 C ATOM 493 H LEU A 57 20.287 -9.311 49.381 1.00 0.00 H ATOM 494 N VAL A 58 20.187 -8.002 52.534 1.00 51.83 N ATOM 495 CA VAL A 58 20.472 -7.705 53.930 1.00 58.74 C ATOM 496 C VAL A 58 21.570 -6.647 54.037 1.00 53.98 C ATOM 497 O VAL A 58 21.529 -5.805 54.915 1.00 43.87 O ATOM 498 CB VAL A 58 20.907 -8.996 54.746 1.00 54.47 C ATOM 499 CG1 VAL A 58 21.290 -8.613 56.169 1.00 48.01 C ATOM 500 CG2 VAL A 58 19.780 -10.049 54.796 1.00 52.30 C ATOM 501 H VAL A 58 20.498 -8.916 52.148 1.00 0.00 H ATOM 502 N GLY A 59 22.570 -6.714 53.168 1.00 33.56 N ATOM 503 CA GLY A 59 23.597 -5.684 53.135 1.00 45.72 C ATOM 504 C GLY A 59 22.985 -4.332 52.757 1.00 39.62 C ATOM 505 O GLY A 59 23.293 -3.326 53.370 1.00 38.68 O ATOM 506 H GLY A 59 22.620 -7.512 52.503 1.00 0.00 H ATOM 507 N GLY A 60 22.141 -4.328 51.725 1.00 42.98 N ATOM 508 CA GLY A 60 21.385 -3.155 51.327 1.00 44.92 C ATOM 509 C GLY A 60 20.614 -2.574 52.511 1.00 47.56 C ATOM 510 O GLY A 60 20.574 -1.361 52.719 1.00 43.75 O ATOM 511 H GLY A 60 22.019 -5.206 51.180 1.00 0.00 H ATOM 512 N LEU A 61 20.008 -3.462 53.292 1.00 46.30 N ATOM 513 CA LEU A 61 19.126 -3.071 54.373 1.00 41.25 C ATOM 514 C LEU A 61 19.917 -2.351 55.469 1.00 49.43 C ATOM 515 O LEU A 61 19.497 -1.319 56.009 1.00 43.94 O ATOM 516 CB LEU A 61 18.412 -4.301 54.945 1.00 41.47 C ATOM 517 CG LEU A 61 17.580 -4.019 56.198 1.00 45.31 C ATOM 518 CD1 LEU A 61 16.384 -3.165 55.839 1.00 59.32 C ATOM 519 CD2 LEU A 61 17.149 -5.323 56.869 1.00 43.16 C ATOM 520 H LEU A 61 20.173 -4.475 53.121 1.00 0.00 H ATOM 521 N ILE A 62 21.054 -2.938 55.802 1.00 51.49 N ATOM 522 CA ILE A 62 21.916 -2.433 56.853 1.00 38.18 C ATOM 523 C ILE A 62 22.503 -1.075 56.435 1.00 44.43 C ATOM 524 O ILE A 62 22.596 -0.188 57.258 1.00 45.85 O ATOM 525 CB ILE A 62 23.041 -3.427 57.161 1.00 51.46 C ATOM 526 CG1 ILE A 62 22.470 -4.666 57.886 1.00 51.79 C ATOM 527 CG2 ILE A 62 24.144 -2.756 57.999 1.00 45.01 C ATOM 528 CD1 ILE A 62 23.462 -5.793 58.080 1.00 49.86 C ATOM 529 H ILE A 62 21.342 -3.796 55.290 1.00 0.00 H ATOM 530 N TRP A 63 22.935 -0.959 55.168 1.00 42.02 N ATOM 531 CA TRP A 63 23.414 0.308 54.604 1.00 44.19 C ATOM 532 C TRP A 63 22.345 1.383 54.715 1.00 42.88 C ATOM 533 O TRP A 63 22.624 2.463 55.236 1.00 41.70 O ATOM 534 CB TRP A 63 23.842 0.145 53.129 1.00 55.03 C ATOM 535 CG TRP A 63 24.199 1.458 52.413 1.00 46.86 C ATOM 536 CD1 TRP A 63 24.788 2.578 52.966 1.00 39.47 C ATOM 537 CD2 TRP A 63 23.975 1.779 51.027 1.00 40.49 C ATOM 538 NE1 TRP A 63 24.926 3.556 52.008 1.00 40.29 N ATOM 539 CE2 TRP A 63 24.444 3.104 50.817 1.00 49.65 C ATOM 540 CE3 TRP A 63 23.423 1.085 49.950 1.00 35.01 C ATOM 541 CZ2 TRP A 63 24.382 3.741 49.565 1.00 39.62 C ATOM 542 CZ3 TRP A 63 23.364 1.717 48.704 1.00 40.04 C ATOM 543 CH2 TRP A 63 23.845 3.031 48.528 1.00 44.25 C ATOM 544 HE1 TRP A 63 25.336 4.498 52.169 1.00 0.00 H ATOM 545 H TRP A 63 22.930 -1.804 54.561 1.00 0.00 H ATOM 546 N GLY A 64 21.125 1.094 54.253 1.00 40.39 N ATOM 547 CA GLY A 64 20.013 2.040 54.422 1.00 39.88 C ATOM 548 C GLY A 64 19.839 2.547 55.863 1.00 55.09 C ATOM 549 O GLY A 64 19.635 3.749 56.138 1.00 45.44 O ATOM 550 H GLY A 64 20.960 0.189 53.768 1.00 0.00 H ATOM 551 N ILE A 65 19.918 1.612 56.799 1.00 53.19 N ATOM 552 CA ILE A 65 19.681 1.926 58.183 1.00 45.86 C ATOM 553 C ILE A 65 20.823 2.806 58.698 1.00 55.47 C ATOM 554 O ILE A 65 20.580 3.772 59.399 1.00 51.83 O ATOM 555 CB ILE A 65 19.513 0.632 59.023 1.00 55.30 C ATOM 556 CG1 ILE A 65 18.148 -0.002 58.749 1.00 67.83 C ATOM 557 CG2 ILE A 65 19.629 0.932 60.532 1.00 58.71 C ATOM 558 CD1 ILE A 65 17.974 -1.391 59.334 1.00 71.46 C ATOM 559 H ILE A 65 20.155 0.636 56.529 1.00 0.00 H ATOM 560 N LEU A 66 22.066 2.503 58.333 1.00 56.32 N ATOM 561 CA LEU A 66 23.169 3.384 58.722 1.00 70.76 C ATOM 562 C LEU A 66 22.989 4.793 58.150 1.00 61.18 C ATOM 563 O LEU A 66 23.288 5.776 58.810 1.00 49.32 O ATOM 564 CB LEU A 66 24.518 2.834 58.259 1.00 66.39 C ATOM 565 CG LEU A 66 25.061 1.563 58.904 1.00 59.90 C ATOM 566 CD1 LEU A 66 26.093 0.881 57.986 1.00 54.70 C ATOM 567 CD2 LEU A 66 25.643 1.861 60.295 1.00 61.08 C ATOM 568 H LEU A 66 22.253 1.646 57.775 1.00 0.00 H ATOM 569 N SER A 67 22.546 4.883 56.905 1.00 50.04 N ATOM 570 CA SER A 67 22.347 6.178 56.285 1.00 58.68 C ATOM 571 C SER A 67 21.415 6.999 57.179 1.00 53.52 C ATOM 572 O SER A 67 21.709 8.162 57.527 1.00 46.83 O ATOM 573 CB SER A 67 21.783 6.036 54.848 1.00 39.97 C ATOM 574 OG SER A 67 22.724 5.449 53.983 1.00 79.90 O ATOM 575 HG SER A 67 22.962 4.548 54.318 1.00 0.00 H ATOM 576 H SER A 67 22.339 4.017 56.368 1.00 0.00 H ATOM 577 N MET A 68 20.327 6.372 57.601 1.00 59.16 N ATOM 578 CA MET A 68 19.297 7.089 58.341 1.00 60.85 C ATOM 579 C MET A 68 19.721 7.447 59.759 1.00 55.26 C ATOM 580 O MET A 68 19.597 8.625 60.160 1.00 57.65 O ATOM 581 CB MET A 68 18.009 6.269 58.363 1.00 75.77 C ATOM 582 CG MET A 68 17.277 6.283 57.017 1.00 53.80 C ATOM 583 SD MET A 68 15.635 5.567 57.133 1.00 57.44 S ATOM 584 CE MET A 68 16.041 3.835 57.313 1.00 58.64 C ATOM 585 H MET A 68 20.207 5.358 57.402 1.00 0.00 H ATOM 586 N ILE A 69 20.201 6.457 60.526 1.00 60.97 N ATOM 587 CA ILE A 69 20.447 6.678 61.963 1.00 74.38 C ATOM 588 C ILE A 69 21.662 7.583 62.168 1.00 59.04 C ATOM 589 O ILE A 69 21.800 8.169 63.203 1.00 63.28 O ATOM 590 CB ILE A 69 20.642 5.350 62.773 1.00 64.69 C ATOM 591 CG1 ILE A 69 21.911 4.592 62.352 1.00 58.22 C ATOM 592 CG2 ILE A 69 19.409 4.466 62.639 1.00 67.39 C ATOM 593 CD1 ILE A 69 22.275 3.482 63.280 1.00 80.94 C ATOM 594 H ILE A 69 20.401 5.527 60.105 1.00 0.00 H ATOM 595 N THR A 70 22.512 7.725 61.152 1.00 84.36 N ATOM 596 CA THR A 70 23.662 8.628 61.248 1.00 61.75 C ATOM 597 C THR A 70 23.331 10.053 60.828 1.00 62.36 C ATOM 598 O THR A 70 24.188 10.923 60.915 1.00 65.86 O ATOM 599 CB THR A 70 24.832 8.168 60.374 1.00 59.48 C ATOM 600 OG1 THR A 70 24.417 8.144 58.998 1.00 56.33 O ATOM 601 CG2 THR A 70 25.333 6.809 60.809 1.00 85.15 C ATOM 602 HG1 THR A 70 23.658 7.516 58.894 1.00 0.00 H ATOM 603 H THR A 70 22.357 7.186 60.276 1.00 0.00 H ATOM 604 N GLY A 71 22.107 10.278 60.349 1.00 59.76 N ATOM 605 CA GLY A 71 21.703 11.592 59.899 1.00 71.24 C ATOM 606 C GLY A 71 22.103 11.938 58.457 1.00 65.74 C ATOM 607 O GLY A 71 21.916 13.077 58.053 1.00 69.96 O ATOM 608 H GLY A 71 21.428 9.492 60.298 1.00 0.00 H ATOM 609 N HIS A 72 22.637 11.000 57.676 1.00 64.48 N ATOM 610 CA HIS A 72 23.097 11.334 56.299 1.00 62.02 C ATOM 611 C HIS A 72 22.066 11.117 55.198 1.00 49.49 C ATOM 612 O HIS A 72 22.311 11.401 54.037 1.00 89.04 O ATOM 613 CB HIS A 72 24.381 10.568 55.984 1.00 52.95 C ATOM 614 CG HIS A 72 25.568 11.088 56.753 1.00 58.38 C ATOM 615 ND1 HIS A 72 26.351 12.131 56.305 1.00 80.66 N ATOM 616 CD2 HIS A 72 26.060 10.746 57.968 1.00 69.89 C ATOM 617 CE1 HIS A 72 27.294 12.387 57.197 1.00 85.19 C ATOM 618 NE2 HIS A 72 27.139 11.561 58.215 1.00 74.06 N ATOM 619 H HIS A 72 22.733 10.027 58.030 1.00 0.00 H ATOM 620 N ALA A 73 20.896 10.663 55.596 1.00 59.04 N ATOM 621 CA ALA A 73 19.761 10.480 54.705 1.00 50.34 C ATOM 622 C ALA A 73 18.896 11.743 54.624 1.00 57.97 C ATOM 623 O ALA A 73 18.696 12.452 55.615 1.00 60.75 O ATOM 624 CB ALA A 73 18.914 9.298 55.178 1.00 48.33 C ATOM 625 H ALA A 73 20.777 10.422 56.601 1.00 0.00 H ATOM 626 N TYR A 74 18.389 12.013 53.432 1.00 52.43 N ATOM 627 CA TYR A 74 17.500 13.151 53.208 1.00 62.97 C ATOM 628 C TYR A 74 16.092 12.596 53.310 1.00 53.16 C ATOM 629 O TYR A 74 15.629 11.843 52.437 1.00 54.87 O ATOM 630 CB TYR A 74 17.789 13.812 51.852 1.00 56.45 C ATOM 631 CG TYR A 74 19.170 14.420 51.806 1.00 59.11 C ATOM 632 CD1 TYR A 74 20.272 13.673 51.418 1.00 60.65 C ATOM 633 CD2 TYR A 74 19.382 15.745 52.179 1.00 62.74 C ATOM 634 CE1 TYR A 74 21.560 14.251 51.397 1.00 52.47 C ATOM 635 CE2 TYR A 74 20.652 16.316 52.162 1.00 74.44 C ATOM 636 CZ TYR A 74 21.734 15.564 51.777 1.00 70.35 C ATOM 637 OH TYR A 74 22.993 16.127 51.748 1.00123.74 O ATOM 638 HH TYR A 74 23.650 15.449 51.450 1.00 0.00 H ATOM 639 H TYR A 74 18.631 11.396 52.630 1.00 0.00 H ATOM 640 N ILE A 75 15.448 12.920 54.424 1.00 52.34 N ATOM 641 CA ILE A 75 14.178 12.322 54.788 1.00 64.13 C ATOM 642 C ILE A 75 13.128 13.389 54.718 1.00 49.88 C ATOM 643 O ILE A 75 13.290 14.450 55.307 1.00 59.95 O ATOM 644 CB ILE A 75 14.229 11.697 56.201 1.00 70.23 C ATOM 645 CG1 ILE A 75 15.112 10.453 56.171 1.00 81.21 C ATOM 646 CG2 ILE A 75 12.840 11.316 56.675 1.00 71.77 C ATOM 647 CD1 ILE A 75 15.316 9.802 57.521 1.00 83.75 C ATOM 648 H ILE A 75 15.869 13.628 55.059 1.00 0.00 H ATOM 649 N LEU A 76 12.056 13.128 53.982 1.00 67.43 N ATOM 650 CA LEU A 76 10.978 14.109 53.838 1.00 67.80 C ATOM 651 C LEU A 76 9.752 13.625 54.576 1.00 64.93 C ATOM 652 O LEU A 76 8.960 14.413 55.076 1.00 75.94 O ATOM 653 CB LEU A 76 10.639 14.344 52.365 1.00 63.21 C ATOM 654 CG LEU A 76 11.724 14.990 51.510 1.00 68.41 C ATOM 655 CD1 LEU A 76 11.204 15.088 50.110 1.00 70.02 C ATOM 656 CD2 LEU A 76 12.110 16.388 52.054 1.00 68.40 C ATOM 657 H LEU A 76 11.979 12.210 53.498 1.00 0.00 H ATOM 658 N SER A 77 9.607 12.307 54.640 1.00 66.40 N ATOM 659 CA SER A 77 8.466 11.681 55.282 1.00 57.09 C ATOM 660 C SER A 77 8.789 10.210 55.515 1.00 64.80 C ATOM 661 O SER A 77 9.737 9.682 54.921 1.00 53.22 O ATOM 662 CB SER A 77 7.226 11.785 54.418 1.00 51.60 C ATOM 663 OG SER A 77 7.294 10.750 53.439 1.00 51.19 O ATOM 664 HG SER A 77 6.494 10.794 52.858 1.00 0.00 H ATOM 665 H SER A 77 10.338 11.701 54.215 1.00 0.00 H ATOM 666 N LEU A 78 7.981 9.562 56.353 1.00 58.42 N ATOM 667 CA LEU A 78 8.205 8.186 56.773 1.00 67.14 C ATOM 668 C LEU A 78 8.202 7.266 55.570 1.00 51.14 C ATOM 669 O LEU A 78 9.168 6.535 55.289 1.00 49.12 O ATOM 670 CB LEU A 78 7.123 7.764 57.773 1.00 67.53 C ATOM 671 CG LEU A 78 7.166 6.344 58.362 1.00 91.78 C ATOM 672 CD1 LEU A 78 6.462 5.331 57.467 1.00100.14 C ATOM 673 CD2 LEU A 78 8.588 5.888 58.654 1.00 75.43 C ATOM 674 H LEU A 78 7.150 10.064 56.725 1.00 0.00 H ATOM 675 N SER A 79 7.096 7.339 54.845 1.00 53.47 N ATOM 676 CA SER A 79 6.915 6.584 53.621 1.00 61.68 C ATOM 677 C SER A 79 8.017 6.868 52.572 1.00 50.24 C ATOM 678 O SER A 79 8.432 5.957 51.836 1.00 52.76 O ATOM 679 CB SER A 79 5.529 6.901 53.052 1.00 53.76 C ATOM 680 OG SER A 79 5.544 8.157 52.418 1.00 79.91 O ATOM 681 HG SER A 79 5.794 8.854 53.075 1.00 0.00 H ATOM 682 H SER A 79 6.328 7.962 55.166 1.00 0.00 H ATOM 683 N GLN A 80 8.493 8.116 52.495 1.00 55.25 N ATOM 684 CA GLN A 80 9.544 8.453 51.528 1.00 65.67 C ATOM 685 C GLN A 80 10.874 7.858 51.975 1.00 50.52 C ATOM 686 O GLN A 80 11.673 7.430 51.146 1.00 47.51 O ATOM 687 CB GLN A 80 9.672 9.976 51.335 1.00 58.66 C ATOM 688 CG GLN A 80 10.930 10.428 50.566 1.00 48.41 C ATOM 689 CD GLN A 80 12.136 10.621 51.469 1.00 48.79 C ATOM 690 OE1 GLN A 80 11.986 10.821 52.674 1.00 49.37 O ATOM 691 NE2 GLN A 80 13.346 10.541 50.889 1.00 46.44 N ATOM 692 HE22 GLN A 80 13.422 10.370 49.866 1.00 0.00 H ATOM 693 HE21 GLN A 80 14.206 10.650 51.463 1.00 0.00 H ATOM 694 H GLN A 80 8.115 8.852 53.125 1.00 0.00 H ATOM 695 N ALA A 81 11.108 7.874 53.283 1.00 49.28 N ATOM 696 CA ALA A 81 12.328 7.322 53.857 1.00 53.53 C ATOM 697 C ALA A 81 12.341 5.821 53.646 1.00 50.29 C ATOM 698 O ALA A 81 13.387 5.237 53.341 1.00 50.45 O ATOM 699 CB ALA A 81 12.437 7.634 55.330 1.00 49.88 C ATOM 700 H ALA A 81 10.398 8.294 53.917 1.00 0.00 H ATOM 701 N PHE A 82 11.176 5.210 53.817 1.00 45.94 N ATOM 702 CA PHE A 82 11.049 3.776 53.636 1.00 49.24 C ATOM 703 C PHE A 82 11.356 3.385 52.182 1.00 51.57 C ATOM 704 O PHE A 82 12.134 2.486 51.897 1.00 50.43 O ATOM 705 CB PHE A 82 9.645 3.311 54.019 1.00 51.29 C ATOM 706 CG PHE A 82 9.453 1.843 53.849 1.00 71.47 C ATOM 707 CD1 PHE A 82 9.900 0.959 54.817 1.00 96.60 C ATOM 708 CD2 PHE A 82 8.852 1.340 52.713 1.00 62.03 C ATOM 709 CE1 PHE A 82 9.742 -0.399 54.659 1.00 99.21 C ATOM 710 CE2 PHE A 82 8.697 -0.026 52.549 1.00 91.44 C ATOM 711 CZ PHE A 82 9.141 -0.894 53.523 1.00 74.66 C ATOM 712 H PHE A 82 10.340 5.768 54.085 1.00 0.00 H ATOM 713 N LEU A 83 10.734 4.103 51.267 1.00 47.24 N ATOM 714 CA LEU A 83 10.969 3.909 49.867 1.00 42.61 C ATOM 715 C LEU A 83 12.426 4.114 49.480 1.00 39.82 C ATOM 716 O LEU A 83 12.990 3.270 48.786 1.00 39.44 O ATOM 717 CB LEU A 83 10.072 4.853 49.046 1.00 38.85 C ATOM 718 CG LEU A 83 10.205 4.675 47.542 1.00 51.02 C ATOM 719 CD1 LEU A 83 10.051 3.178 47.142 1.00 46.22 C ATOM 720 CD2 LEU A 83 9.189 5.560 46.842 1.00 47.68 C ATOM 721 H LEU A 83 10.055 4.830 51.570 1.00 0.00 H ATOM 722 N GLU A 84 13.051 5.210 49.924 1.00 38.78 N ATOM 723 CA GLU A 84 14.357 5.582 49.322 1.00 37.66 C ATOM 724 C GLU A 84 15.584 5.122 50.105 1.00 35.15 C ATOM 725 O GLU A 84 16.690 5.087 49.558 1.00 40.42 O ATOM 726 CB GLU A 84 14.451 7.102 49.112 1.00 35.12 C ATOM 727 CG GLU A 84 13.339 7.685 48.236 1.00 36.77 C ATOM 728 CD GLU A 84 13.787 8.972 47.545 1.00 40.05 C ATOM 729 OE1 GLU A 84 14.506 8.855 46.532 1.00 42.91 O ATOM 730 OE2 GLU A 84 13.458 10.089 48.018 1.00 42.54 O ATOM 731 H GLU A 84 12.630 5.791 50.677 1.00 0.00 H ATOM 732 N TYR A 85 15.386 4.806 51.384 1.00 46.20 N ATOM 733 CA TYR A 85 16.471 4.394 52.262 1.00 44.43 C ATOM 734 C TYR A 85 16.293 3.000 52.871 1.00 51.85 C ATOM 735 O TYR A 85 17.195 2.516 53.564 1.00 47.52 O ATOM 736 CB TYR A 85 16.640 5.434 53.378 1.00 47.32 C ATOM 737 CG TYR A 85 17.258 6.696 52.853 1.00 43.80 C ATOM 738 CD1 TYR A 85 18.631 6.772 52.612 1.00 49.50 C ATOM 739 CD2 TYR A 85 16.472 7.818 52.579 1.00 46.89 C ATOM 740 CE1 TYR A 85 19.199 7.925 52.114 1.00 62.52 C ATOM 741 CE2 TYR A 85 17.029 8.971 52.080 1.00 47.10 C ATOM 742 CZ TYR A 85 18.388 9.030 51.853 1.00 53.04 C ATOM 743 OH TYR A 85 18.936 10.202 51.377 1.00 53.11 O ATOM 744 HH TYR A 85 19.913 10.087 51.266 1.00 0.00 H ATOM 745 H TYR A 85 14.421 4.856 51.769 1.00 0.00 H ATOM 746 N LEU A 86 15.161 2.344 52.621 1.00 38.47 N ATOM 747 CA LEU A 86 15.089 0.909 52.892 1.00 44.14 C ATOM 748 C LEU A 86 14.891 0.133 51.585 1.00 42.74 C ATOM 749 O LEU A 86 15.781 -0.605 51.177 1.00 41.03 O ATOM 750 CB LEU A 86 14.005 0.586 53.909 1.00 43.48 C ATOM 751 CG LEU A 86 14.321 1.077 55.337 1.00 60.00 C ATOM 752 CD1 LEU A 86 13.165 0.792 56.269 1.00 64.15 C ATOM 753 CD2 LEU A 86 15.617 0.474 55.913 1.00 67.95 C ATOM 754 H LEU A 86 14.336 2.848 52.237 1.00 0.00 H ATOM 755 N VAL A 87 13.766 0.327 50.917 1.00 37.08 N ATOM 756 CA VAL A 87 13.486 -0.425 49.701 1.00 46.53 C ATOM 757 C VAL A 87 14.570 -0.255 48.644 1.00 50.10 C ATOM 758 O VAL A 87 15.093 -1.250 48.118 1.00 40.68 O ATOM 759 CB VAL A 87 12.141 -0.022 49.122 1.00 49.44 C ATOM 760 CG1 VAL A 87 11.927 -0.614 47.729 1.00 47.15 C ATOM 761 CG2 VAL A 87 11.028 -0.473 50.088 1.00 42.47 C ATOM 762 H VAL A 87 13.075 1.023 51.263 1.00 0.00 H ATOM 763 N ALA A 88 14.948 0.994 48.370 1.00 37.74 N ATOM 764 CA ALA A 88 15.855 1.261 47.255 1.00 36.46 C ATOM 765 C ALA A 88 17.207 0.545 47.441 1.00 40.41 C ATOM 766 O ALA A 88 17.676 -0.125 46.527 1.00 39.80 O ATOM 767 CB ALA A 88 16.050 2.809 47.058 1.00 38.51 C ATOM 768 H ALA A 88 14.596 1.781 48.952 1.00 0.00 H ATOM 769 N PRO A 89 17.850 0.717 48.608 1.00 35.77 N ATOM 770 CA PRO A 89 19.154 0.064 48.794 1.00 43.89 C ATOM 771 C PRO A 89 19.052 -1.480 48.921 1.00 33.75 C ATOM 772 O PRO A 89 19.981 -2.142 48.482 1.00 38.48 O ATOM 773 CB PRO A 89 19.695 0.676 50.103 1.00 42.73 C ATOM 774 CG PRO A 89 18.496 1.200 50.826 1.00 40.61 C ATOM 775 CD PRO A 89 17.533 1.644 49.722 1.00 41.20 C ATOM 776 N VAL A 90 17.959 -1.991 49.480 1.00 35.95 N ATOM 777 CA VAL A 90 17.746 -3.435 49.571 1.00 41.83 C ATOM 778 C VAL A 90 17.720 -3.948 48.140 1.00 54.99 C ATOM 779 O VAL A 90 18.326 -4.972 47.838 1.00 40.35 O ATOM 780 CB VAL A 90 16.443 -3.804 50.307 1.00 38.28 C ATOM 781 CG1 VAL A 90 16.059 -5.224 50.060 1.00 45.26 C ATOM 782 CG2 VAL A 90 16.564 -3.547 51.813 1.00 43.47 C ATOM 783 H VAL A 90 17.237 -1.347 49.862 1.00 0.00 H ATOM 784 N SER A 91 17.077 -3.180 47.261 1.00 38.97 N ATOM 785 CA SER A 91 16.774 -3.616 45.903 1.00 35.25 C ATOM 786 C SER A 91 18.023 -3.928 45.089 1.00 36.56 C ATOM 787 O SER A 91 17.962 -4.702 44.144 1.00 42.48 O ATOM 788 CB SER A 91 15.917 -2.575 45.176 1.00 35.22 C ATOM 789 OG SER A 91 16.727 -1.620 44.535 1.00 37.63 O ATOM 790 HG SER A 91 17.287 -1.159 45.208 1.00 0.00 H ATOM 791 H SER A 91 16.778 -2.229 47.556 1.00 0.00 H ATOM 792 N LEU A 92 19.160 -3.380 45.498 1.00 40.08 N ATOM 793 CA LEU A 92 20.444 -3.752 44.909 1.00 35.14 C ATOM 794 C LEU A 92 20.777 -5.288 45.011 1.00 35.13 C ATOM 795 O LEU A 92 21.532 -5.834 44.185 1.00 42.37 O ATOM 796 CB LEU A 92 21.585 -2.930 45.534 1.00 34.44 C ATOM 797 CG LEU A 92 21.655 -1.416 45.236 1.00 37.33 C ATOM 798 CD1 LEU A 92 22.771 -0.710 46.016 1.00 37.10 C ATOM 799 CD2 LEU A 92 21.845 -1.115 43.758 1.00 31.50 C ATOM 800 H LEU A 92 19.137 -2.668 46.256 1.00 0.00 H ATOM 801 N GLY A 93 20.205 -5.971 45.981 1.00 39.86 N ATOM 802 CA GLY A 93 20.377 -7.406 46.119 1.00 48.07 C ATOM 803 C GLY A 93 19.963 -8.241 44.915 1.00 47.31 C ATOM 804 O GLY A 93 20.485 -9.312 44.750 1.00 44.28 O ATOM 805 H GLY A 93 19.611 -5.466 46.670 1.00 0.00 H ATOM 806 N ILE A 94 19.054 -7.740 44.075 1.00 40.87 N ATOM 807 CA ILE A 94 18.630 -8.434 42.864 1.00 48.95 C ATOM 808 C ILE A 94 19.845 -8.800 42.009 1.00 43.14 C ATOM 809 O ILE A 94 19.773 -9.661 41.168 1.00 39.61 O ATOM 810 CB ILE A 94 17.606 -7.592 42.033 1.00 59.71 C ATOM 811 CG1 ILE A 94 16.930 -8.475 40.997 1.00 59.64 C ATOM 812 CG2 ILE A 94 18.260 -6.378 41.324 1.00 43.19 C ATOM 813 CD1 ILE A 94 15.698 -7.855 40.395 1.00 57.39 C ATOM 814 H ILE A 94 18.630 -6.816 44.293 1.00 0.00 H ATOM 815 N ALA A 95 20.973 -8.139 42.236 1.00 38.56 N ATOM 816 CA ALA A 95 22.187 -8.473 41.528 1.00 38.80 C ATOM 817 C ALA A 95 22.647 -9.917 41.862 1.00 35.54 C ATOM 818 O ALA A 95 23.349 -10.548 41.080 1.00 41.48 O ATOM 819 CB ALA A 95 23.276 -7.467 41.866 1.00 31.25 C ATOM 820 H ALA A 95 20.983 -7.369 42.934 1.00 0.00 H ATOM 821 N GLY A 96 22.253 -10.406 43.031 1.00 40.06 N ATOM 822 CA GLY A 96 22.644 -11.709 43.496 1.00 46.50 C ATOM 823 C GLY A 96 22.105 -12.812 42.623 1.00 54.88 C ATOM 824 O GLY A 96 22.675 -13.884 42.614 1.00 53.60 O ATOM 825 H GLY A 96 21.637 -9.824 43.634 1.00 0.00 H ATOM 826 N LEU A 97 21.036 -12.549 41.880 1.00 50.21 N ATOM 827 CA LEU A 97 20.501 -13.527 40.937 1.00 47.77 C ATOM 828 C LEU A 97 21.475 -13.843 39.800 1.00 48.99 C ATOM 829 O LEU A 97 21.285 -14.813 39.092 1.00 43.83 O ATOM 830 CB LEU A 97 19.199 -13.031 40.323 1.00 48.45 C ATOM 831 CG LEU A 97 18.091 -12.716 41.295 1.00 43.57 C ATOM 832 CD1 LEU A 97 16.926 -12.147 40.540 1.00 52.83 C ATOM 833 CD2 LEU A 97 17.714 -14.008 42.088 1.00 49.02 C ATOM 834 H LEU A 97 20.569 -11.624 41.972 1.00 0.00 H ATOM 835 N PHE A 98 22.504 -13.024 39.624 1.00 41.03 N ATOM 836 CA PHE A 98 23.478 -13.232 38.544 1.00 41.61 C ATOM 837 C PHE A 98 24.839 -13.693 39.061 1.00 37.74 C ATOM 838 O PHE A 98 25.866 -13.631 38.344 1.00 42.40 O ATOM 839 CB PHE A 98 23.596 -11.931 37.710 1.00 39.52 C ATOM 840 CG PHE A 98 22.264 -11.467 37.178 1.00 39.72 C ATOM 841 CD1 PHE A 98 21.429 -10.674 37.959 1.00 33.85 C ATOM 842 CD2 PHE A 98 21.815 -11.878 35.947 1.00 39.91 C ATOM 843 CE1 PHE A 98 20.202 -10.269 37.493 1.00 46.44 C ATOM 844 CE2 PHE A 98 20.576 -11.470 35.485 1.00 43.09 C ATOM 845 CZ PHE A 98 19.787 -10.661 36.245 1.00 36.46 C ATOM 846 H PHE A 98 22.624 -12.215 40.266 1.00 0.00 H ATOM 847 N ARG A 99 24.838 -14.197 40.294 1.00 40.10 N ATOM 848 CA ARG A 99 26.041 -14.776 40.892 1.00 54.46 C ATOM 849 C ARG A 99 26.572 -15.932 40.064 1.00 42.80 C ATOM 850 O ARG A 99 25.807 -16.803 39.631 1.00 44.29 O ATOM 851 CB ARG A 99 25.799 -15.309 42.323 1.00 45.31 C ATOM 852 CG ARG A 99 26.896 -16.333 42.668 1.00 64.75 C ATOM 853 CD ARG A 99 27.093 -16.622 44.108 1.00 59.81 C ATOM 854 NE ARG A 99 25.871 -17.014 44.733 1.00 54.64 N ATOM 855 CZ ARG A 99 25.797 -17.583 45.930 1.00 89.77 C ATOM 856 NH1 ARG A 99 26.912 -17.842 46.628 1.00 78.04 N ATOM 857 NH2 ARG A 99 24.595 -17.887 46.412 1.00 70.73 N ATOM 858 HE ARG A 99 24.983 -16.843 44.219 1.00 0.00 H ATOM 859 HH12 ARG A 99 26.847 -18.288 47.565 1.00 0.00 H ATOM 860 HH11 ARG A 99 27.842 -17.597 46.232 1.00 0.00 H ATOM 861 HH22 ARG A 99 24.507 -18.333 47.347 1.00 0.00 H ATOM 862 HH21 ARG A 99 23.743 -17.678 45.854 1.00 0.00 H ATOM 863 H ARG A 99 23.957 -14.178 40.847 1.00 0.00 H ATOM 864 N GLN A 100 27.885 -15.960 39.903 1.00 44.24 N ATOM 865 CA GLN A 100 28.577 -17.127 39.368 1.00 44.63 C ATOM 866 C GLN A 100 29.253 -17.877 40.499 1.00 47.33 C ATOM 867 O GLN A 100 30.019 -17.328 41.277 1.00 59.24 O ATOM 868 CB GLN A 100 29.582 -16.689 38.299 1.00 44.71 C ATOM 869 CG GLN A 100 28.903 -15.975 37.134 1.00 41.16 C ATOM 870 CD GLN A 100 29.864 -15.273 36.217 1.00 41.00 C ATOM 871 OE1 GLN A 100 30.561 -15.909 35.435 1.00 45.66 O ATOM 872 NE2 GLN A 100 29.920 -13.940 36.313 1.00 42.14 N ATOM 873 HE22 GLN A 100 29.309 -13.441 36.991 1.00 0.00 H ATOM 874 HE21 GLN A 100 30.574 -13.402 35.709 1.00 0.00 H ATOM 875 H GLN A 100 28.442 -15.122 40.167 1.00 0.00 H ATOM 876 N LYS A 101 28.934 -19.146 40.589 1.00 51.74 N ATOM 877 CA LYS A 101 29.570 -20.049 41.542 1.00 64.53 C ATOM 878 C LYS A 101 30.790 -20.788 40.969 1.00 58.13 C ATOM 879 O LYS A 101 31.590 -21.310 41.727 1.00 84.12 O ATOM 880 CB LYS A 101 28.557 -21.081 42.018 1.00 67.03 C ATOM 881 CG LYS A 101 27.508 -20.556 42.972 1.00 79.28 C ATOM 882 CD LYS A 101 26.418 -21.609 43.170 1.00 78.77 C ATOM 883 CE LYS A 101 25.657 -21.422 44.475 1.00 97.16 C ATOM 884 NZ LYS A 101 24.643 -20.342 44.400 1.00120.07 N ATOM 885 HZ1 LYS A 101 25.113 -19.442 44.174 1.00 0.00 H ATOM 886 HZ2 LYS A 101 23.951 -20.569 43.658 1.00 0.00 H ATOM 887 HZ3 LYS A 101 24.157 -20.260 45.316 1.00 0.00 H ATOM 888 H LYS A 101 28.199 -19.523 39.957 1.00 0.00 H ATOM 889 N THR A 102 30.923 -20.834 39.640 1.00 55.51 N ATOM 890 CA THR A 102 31.978 -21.621 39.008 1.00 73.34 C ATOM 891 C THR A 102 32.851 -20.839 38.011 1.00 68.78 C ATOM 892 O THR A 102 32.359 -20.076 37.159 1.00 50.35 O ATOM 893 CB THR A 102 31.382 -22.865 38.287 1.00 80.15 C ATOM 894 OG1 THR A 102 30.540 -22.464 37.207 1.00 82.19 O ATOM 895 CG2 THR A 102 30.573 -23.698 39.255 1.00 75.85 C ATOM 896 HG1 THR A 102 31.068 -21.938 36.556 1.00 0.00 H ATOM 897 H THR A 102 30.261 -20.298 39.043 1.00 0.00 H ATOM 898 N ALA A 103 34.161 -21.067 38.127 1.00 57.94 N ATOM 899 CA ALA A 103 35.149 -20.433 37.273 1.00 62.98 C ATOM 900 C ALA A 103 35.103 -21.097 35.898 1.00 53.88 C ATOM 901 O ALA A 103 34.589 -22.196 35.771 1.00 55.02 O ATOM 902 CB ALA A 103 36.534 -20.544 37.888 1.00 73.22 C ATOM 903 H ALA A 103 34.488 -21.727 38.861 1.00 0.00 H ATOM 904 N PRO A 104 35.587 -20.407 34.862 1.00 51.67 N ATOM 905 CA PRO A 104 36.049 -19.014 34.917 1.00 49.86 C ATOM 906 C PRO A 104 34.904 -18.014 35.083 1.00 54.40 C ATOM 907 O PRO A 104 33.810 -18.235 34.572 1.00 49.85 O ATOM 908 CB PRO A 104 36.713 -18.821 33.560 1.00 55.90 C ATOM 909 CG PRO A 104 35.940 -19.717 32.666 1.00 54.46 C ATOM 910 CD PRO A 104 35.650 -20.947 33.493 1.00 51.98 C ATOM 911 N LEU A 105 35.166 -16.934 35.805 1.00 59.50 N ATOM 912 CA LEU A 105 34.258 -15.808 35.890 1.00 47.95 C ATOM 913 C LEU A 105 34.050 -15.202 34.503 1.00 42.46 C ATOM 914 O LEU A 105 34.994 -14.983 33.764 1.00 43.15 O ATOM 915 CB LEU A 105 34.801 -14.758 36.860 1.00 56.86 C ATOM 916 CG LEU A 105 33.857 -13.601 37.209 1.00 51.58 C ATOM 917 CD1 LEU A 105 32.742 -14.069 38.139 1.00 41.61 C ATOM 918 CD2 LEU A 105 34.633 -12.463 37.828 1.00 49.14 C ATOM 919 H LEU A 105 36.061 -16.893 36.333 1.00 0.00 H ATOM 920 N LYS A 106 32.787 -15.046 34.142 1.00 41.39 N ATOM 921 CA LYS A 106 32.363 -14.371 32.924 1.00 53.25 C ATOM 922 C LYS A 106 32.004 -12.914 33.251 1.00 50.54 C ATOM 923 O LYS A 106 31.378 -12.634 34.280 1.00 37.60 O ATOM 924 CB LYS A 106 31.166 -15.107 32.314 1.00 61.10 C ATOM 925 CG LYS A 106 31.452 -16.590 31.915 1.00 57.93 C ATOM 926 CD LYS A 106 32.000 -16.716 30.523 1.00 95.43 C ATOM 927 CE LYS A 106 33.518 -16.618 30.465 1.00121.29 C ATOM 928 NZ LYS A 106 33.985 -16.636 29.050 1.00117.04 N ATOM 929 HZ1 LYS A 106 33.684 -17.523 28.598 1.00 0.00 H ATOM 930 HZ2 LYS A 106 33.573 -15.829 28.540 1.00 0.00 H ATOM 931 HZ3 LYS A 106 35.023 -16.568 29.028 1.00 0.00 H ATOM 932 H LYS A 106 32.050 -15.430 34.768 1.00 0.00 H ATOM 933 N LEU A 107 32.409 -11.994 32.385 1.00 45.33 N ATOM 934 CA LEU A 107 32.070 -10.592 32.541 1.00 43.67 C ATOM 935 C LEU A 107 30.571 -10.300 32.332 1.00 45.41 C ATOM 936 O LEU A 107 29.982 -9.536 33.080 1.00 37.04 O ATOM 937 CB LEU A 107 32.880 -9.745 31.568 1.00 50.54 C ATOM 938 CG LEU A 107 32.615 -8.235 31.641 1.00 49.73 C ATOM 939 CD1 LEU A 107 32.732 -7.699 33.099 1.00 40.31 C ATOM 940 CD2 LEU A 107 33.588 -7.504 30.720 1.00 42.31 C ATOM 941 H LEU A 107 32.986 -12.286 31.571 1.00 0.00 H ATOM 942 N ALA A 108 29.940 -10.899 31.323 1.00 39.08 N ATOM 943 CA ALA A 108 28.575 -10.483 30.996 1.00 40.97 C ATOM 944 C ALA A 108 27.618 -10.553 32.225 1.00 45.25 C ATOM 945 O ALA A 108 26.926 -9.580 32.509 1.00 47.35 O ATOM 946 CB ALA A 108 28.021 -11.293 29.812 1.00 40.03 C ATOM 947 H ALA A 108 30.409 -11.649 30.777 1.00 0.00 H ATOM 948 N PRO A 109 27.620 -11.667 32.986 1.00 47.19 N ATOM 949 CA PRO A 109 26.709 -11.644 34.141 1.00 33.92 C ATOM 950 C PRO A 109 27.027 -10.577 35.213 1.00 35.86 C ATOM 951 O PRO A 109 26.103 -10.115 35.876 1.00 34.23 O ATOM 952 CB PRO A 109 26.845 -13.065 34.745 1.00 40.88 C ATOM 953 CG PRO A 109 27.382 -13.943 33.577 1.00 44.92 C ATOM 954 CD PRO A 109 28.237 -12.994 32.761 1.00 44.04 C ATOM 955 N VAL A 110 28.294 -10.257 35.439 1.00 31.16 N ATOM 956 CA VAL A 110 28.616 -9.146 36.317 1.00 35.29 C ATOM 957 C VAL A 110 27.906 -7.828 35.870 1.00 40.05 C ATOM 958 O VAL A 110 27.272 -7.163 36.681 1.00 37.21 O ATOM 959 CB VAL A 110 30.125 -8.936 36.386 1.00 38.22 C ATOM 960 CG1 VAL A 110 30.440 -7.702 37.202 1.00 39.64 C ATOM 961 CG2 VAL A 110 30.801 -10.207 37.016 1.00 39.95 C ATOM 962 H VAL A 110 29.057 -10.801 34.988 1.00 0.00 H ATOM 963 N LEU A 111 28.004 -7.507 34.578 1.00 32.35 N ATOM 964 CA LEU A 111 27.434 -6.324 33.998 1.00 31.93 C ATOM 965 C LEU A 111 25.910 -6.343 33.939 1.00 42.30 C ATOM 966 O LEU A 111 25.269 -5.278 34.153 1.00 34.25 O ATOM 967 CB LEU A 111 27.980 -6.133 32.591 1.00 31.72 C ATOM 968 CG LEU A 111 29.482 -5.953 32.409 1.00 39.93 C ATOM 969 CD1 LEU A 111 29.796 -5.621 30.931 1.00 45.99 C ATOM 970 CD2 LEU A 111 30.012 -4.886 33.311 1.00 44.74 C ATOM 971 H LEU A 111 28.526 -8.154 33.953 1.00 0.00 H ATOM 972 N LEU A 112 25.333 -7.522 33.636 1.00 33.56 N ATOM 973 CA LEU A 112 23.861 -7.682 33.617 1.00 29.12 C ATOM 974 C LEU A 112 23.277 -7.488 35.021 1.00 45.94 C ATOM 975 O LEU A 112 22.263 -6.789 35.173 1.00 33.83 O ATOM 976 CB LEU A 112 23.429 -9.060 33.102 1.00 30.25 C ATOM 977 CG LEU A 112 22.094 -9.146 32.351 1.00 47.36 C ATOM 978 CD1 LEU A 112 21.633 -10.623 32.243 1.00 38.06 C ATOM 979 CD2 LEU A 112 20.985 -8.282 32.835 1.00 61.74 C ATOM 980 H LEU A 112 25.936 -8.339 33.410 1.00 0.00 H ATOM 981 N GLY A 113 23.908 -8.139 36.016 1.00 35.99 N ATOM 982 CA GLY A 113 23.513 -8.052 37.425 1.00 36.10 C ATOM 983 C GLY A 113 23.561 -6.587 37.946 1.00 54.36 C ATOM 984 O GLY A 113 22.636 -6.090 38.543 1.00 34.12 O ATOM 985 H GLY A 113 24.722 -8.738 35.771 1.00 0.00 H ATOM 986 N THR A 114 24.666 -5.903 37.704 1.00 32.16 N ATOM 987 CA THR A 114 24.861 -4.495 38.053 1.00 28.25 C ATOM 988 C THR A 114 23.829 -3.562 37.405 1.00 32.03 C ATOM 989 O THR A 114 23.198 -2.783 38.095 1.00 31.89 O ATOM 990 CB THR A 114 26.227 -4.035 37.630 1.00 37.31 C ATOM 991 OG1 THR A 114 27.198 -4.739 38.408 1.00 34.27 O ATOM 992 CG2 THR A 114 26.381 -2.524 37.827 1.00 40.46 C ATOM 993 HG1 THR A 114 27.103 -5.712 38.251 1.00 0.00 H ATOM 994 H THR A 114 25.450 -6.399 37.234 1.00 0.00 H ATOM 995 N PHE A 115 23.615 -3.744 36.103 1.00 33.82 N ATOM 996 CA PHE A 115 22.676 -2.947 35.313 1.00 46.33 C ATOM 997 C PHE A 115 21.274 -3.089 35.865 1.00 52.90 C ATOM 998 O PHE A 115 20.612 -2.091 36.151 1.00 32.00 O ATOM 999 CB PHE A 115 22.703 -3.370 33.819 1.00 27.97 C ATOM 1000 CG PHE A 115 21.788 -2.554 32.940 1.00 37.74 C ATOM 1001 CD1 PHE A 115 22.236 -1.346 32.371 1.00 40.91 C ATOM 1002 CD2 PHE A 115 20.468 -2.985 32.682 1.00 41.10 C ATOM 1003 CE1 PHE A 115 21.408 -0.581 31.562 1.00 29.30 C ATOM 1004 CE2 PHE A 115 19.616 -2.231 31.873 1.00 34.26 C ATOM 1005 CZ PHE A 115 20.098 -1.002 31.304 1.00 37.36 C ATOM 1006 H PHE A 115 24.146 -4.496 35.620 1.00 0.00 H ATOM 1007 N VAL A 116 20.813 -4.330 35.990 1.00 34.77 N ATOM 1008 CA VAL A 116 19.450 -4.590 36.461 1.00 36.75 C ATOM 1009 C VAL A 116 19.250 -4.004 37.888 1.00 33.75 C ATOM 1010 O VAL A 116 18.214 -3.391 38.170 1.00 34.93 O ATOM 1011 CB VAL A 116 19.118 -6.112 36.446 1.00 38.53 C ATOM 1012 CG1 VAL A 116 17.820 -6.409 37.191 1.00 42.13 C ATOM 1013 CG2 VAL A 116 19.115 -6.664 34.955 1.00 34.19 C ATOM 1014 H VAL A 116 21.431 -5.131 35.749 1.00 0.00 H ATOM 1015 N ALA A 117 20.232 -4.181 38.768 1.00 31.28 N ATOM 1016 CA ALA A 117 20.125 -3.694 40.168 1.00 41.52 C ATOM 1017 C ALA A 117 20.184 -2.142 40.333 1.00 44.74 C ATOM 1018 O ALA A 117 19.501 -1.573 41.173 1.00 31.92 O ATOM 1019 CB ALA A 117 21.209 -4.296 40.998 1.00 37.58 C ATOM 1020 H ALA A 117 21.098 -4.673 38.468 1.00 0.00 H ATOM 1021 N VAL A 118 21.061 -1.477 39.597 1.00 40.17 N ATOM 1022 CA VAL A 118 21.094 -0.018 39.615 1.00 52.01 C ATOM 1023 C VAL A 118 19.776 0.513 38.992 1.00 37.49 C ATOM 1024 O VAL A 118 19.165 1.436 39.502 1.00 40.12 O ATOM 1025 CB VAL A 118 22.308 0.510 38.869 1.00 34.39 C ATOM 1026 CG1 VAL A 118 22.195 2.103 38.560 1.00 34.06 C ATOM 1027 CG2 VAL A 118 23.588 0.151 39.611 1.00 28.07 C ATOM 1028 H VAL A 118 21.733 -2.000 39.000 1.00 0.00 H ATOM 1029 N LEU A 119 19.339 -0.113 37.911 1.00 36.24 N ATOM 1030 CA LEU A 119 18.091 0.254 37.274 1.00 38.63 C ATOM 1031 C LEU A 119 16.951 0.181 38.263 1.00 44.20 C ATOM 1032 O LEU A 119 16.101 1.106 38.319 1.00 36.06 O ATOM 1033 CB LEU A 119 17.798 -0.634 36.065 1.00 41.87 C ATOM 1034 CG LEU A 119 16.369 -0.485 35.514 1.00 58.32 C ATOM 1035 CD1 LEU A 119 16.149 0.944 34.996 1.00 61.34 C ATOM 1036 CD2 LEU A 119 16.076 -1.501 34.428 1.00 48.08 C ATOM 1037 H LEU A 119 19.905 -0.887 37.509 1.00 0.00 H ATOM 1038 N LEU A 120 16.909 -0.909 39.034 1.00 37.46 N ATOM 1039 CA LEU A 120 15.792 -1.113 39.953 1.00 40.82 C ATOM 1040 C LEU A 120 15.892 -0.107 41.105 1.00 32.89 C ATOM 1041 O LEU A 120 14.900 0.507 41.459 1.00 35.54 O ATOM 1042 CB LEU A 120 15.752 -2.539 40.476 1.00 37.88 C ATOM 1043 CG LEU A 120 14.628 -2.902 41.442 1.00 39.07 C ATOM 1044 CD1 LEU A 120 13.286 -2.849 40.767 1.00 33.87 C ATOM 1045 CD2 LEU A 120 14.869 -4.331 42.000 1.00 42.57 C ATOM 1046 H LEU A 120 17.672 -1.613 38.980 1.00 0.00 H ATOM 1047 N LYS A 121 17.092 0.090 41.653 1.00 31.52 N ATOM 1048 CA LYS A 121 17.253 1.112 42.662 1.00 32.16 C ATOM 1049 C LYS A 121 16.724 2.477 42.108 1.00 42.29 C ATOM 1050 O LYS A 121 15.955 3.149 42.782 1.00 35.25 O ATOM 1051 CB LYS A 121 18.700 1.264 43.101 1.00 38.36 C ATOM 1052 CG LYS A 121 18.843 2.153 44.324 1.00 33.90 C ATOM 1053 CD LYS A 121 20.261 2.155 44.878 1.00 36.51 C ATOM 1054 CE LYS A 121 20.302 2.699 46.310 1.00 42.12 C ATOM 1055 NZ LYS A 121 20.336 4.187 46.426 1.00 34.29 N ATOM 1056 HZ1 LYS A 121 21.184 4.552 45.946 1.00 0.00 H ATOM 1057 HZ2 LYS A 121 19.485 4.588 45.981 1.00 0.00 H ATOM 1058 HZ3 LYS A 121 20.362 4.455 47.431 1.00 0.00 H ATOM 1059 H LYS A 121 17.905 -0.487 41.357 1.00 0.00 H ATOM 1060 N TYR A 122 17.108 2.879 40.887 1.00 35.15 N ATOM 1061 CA TYR A 122 16.833 4.278 40.501 1.00 32.40 C ATOM 1062 C TYR A 122 15.420 4.348 39.944 1.00 33.97 C ATOM 1063 O TYR A 122 14.807 5.408 39.889 1.00 40.82 O ATOM 1064 CB TYR A 122 17.916 4.831 39.587 1.00 31.45 C ATOM 1065 CG TYR A 122 18.956 5.469 40.483 1.00 46.58 C ATOM 1066 CD1 TYR A 122 19.958 4.697 41.073 1.00 43.05 C ATOM 1067 CD2 TYR A 122 18.860 6.833 40.855 1.00 36.89 C ATOM 1068 CE1 TYR A 122 20.883 5.276 41.982 1.00 46.35 C ATOM 1069 CE2 TYR A 122 19.759 7.409 41.750 1.00 37.24 C ATOM 1070 CZ TYR A 122 20.778 6.624 42.311 1.00 40.41 C ATOM 1071 OH TYR A 122 21.676 7.177 43.203 1.00 40.35 O ATOM 1072 HH TYR A 122 22.320 6.483 43.494 1.00 0.00 H ATOM 1073 H TYR A 122 17.584 2.226 40.233 1.00 0.00 H ATOM 1074 N PHE A 123 14.838 3.185 39.686 1.00 37.89 N ATOM 1075 CA PHE A 123 13.413 3.145 39.414 1.00 31.30 C ATOM 1076 C PHE A 123 12.611 3.559 40.667 1.00 41.93 C ATOM 1077 O PHE A 123 11.621 4.293 40.542 1.00 38.77 O ATOM 1078 CB PHE A 123 12.964 1.764 38.954 1.00 34.89 C ATOM 1079 CG PHE A 123 11.480 1.632 38.860 1.00 32.42 C ATOM 1080 CD1 PHE A 123 10.786 2.252 37.840 1.00 41.48 C ATOM 1081 CD2 PHE A 123 10.771 0.909 39.822 1.00 45.78 C ATOM 1082 CE1 PHE A 123 9.410 2.147 37.767 1.00 52.80 C ATOM 1083 CE2 PHE A 123 9.401 0.799 39.754 1.00 49.51 C ATOM 1084 CZ PHE A 123 8.717 1.423 38.724 1.00 53.77 C ATOM 1085 H PHE A 123 15.398 2.309 39.679 1.00 0.00 H ATOM 1086 N PHE A 124 13.025 3.102 41.859 1.00 38.66 N ATOM 1087 CA PHE A 124 12.362 3.536 43.098 1.00 38.88 C ATOM 1088 C PHE A 124 12.656 5.032 43.406 1.00 34.59 C ATOM 1089 O PHE A 124 11.765 5.754 43.843 1.00 43.11 O ATOM 1090 CB PHE A 124 12.764 2.648 44.278 1.00 37.59 C ATOM 1091 CG PHE A 124 12.248 1.224 44.170 1.00 38.66 C ATOM 1092 CD1 PHE A 124 10.900 0.972 44.094 1.00 41.00 C ATOM 1093 CD2 PHE A 124 13.112 0.162 44.166 1.00 32.40 C ATOM 1094 CE1 PHE A 124 10.435 -0.301 44.006 1.00 40.88 C ATOM 1095 CE2 PHE A 124 12.664 -1.096 44.055 1.00 38.35 C ATOM 1096 CZ PHE A 124 11.324 -1.341 43.986 1.00 35.55 C ATOM 1097 H PHE A 124 13.822 2.435 41.907 1.00 0.00 H ATOM 1098 N HIS A 125 13.864 5.513 43.145 1.00 35.68 N ATOM 1099 CA HIS A 125 14.105 6.953 43.328 1.00 42.15 C ATOM 1100 C HIS A 125 13.253 7.793 42.368 1.00 42.27 C ATOM 1101 O HIS A 125 12.720 8.855 42.754 1.00 36.86 O ATOM 1102 CB HIS A 125 15.575 7.270 43.166 1.00 39.65 C ATOM 1103 CG HIS A 125 16.435 6.625 44.213 1.00 42.31 C ATOM 1104 ND1 HIS A 125 16.264 6.847 45.559 1.00 33.49 N ATOM 1105 CD2 HIS A 125 17.453 5.722 44.100 1.00 39.72 C ATOM 1106 CE1 HIS A 125 17.157 6.140 46.240 1.00 44.13 C ATOM 1107 NE2 HIS A 125 17.880 5.445 45.374 1.00 35.03 N ATOM 1108 H HIS A 125 14.626 4.885 42.818 1.00 0.00 H ATOM 1109 N PHE A 126 13.043 7.256 41.168 1.00 37.49 N ATOM 1110 CA PHE A 126 12.265 7.914 40.125 1.00 42.24 C ATOM 1111 C PHE A 126 10.811 8.048 40.545 1.00 43.60 C ATOM 1112 O PHE A 126 10.192 9.130 40.412 1.00 46.75 O ATOM 1113 CB PHE A 126 12.374 7.139 38.788 1.00 35.89 C ATOM 1114 CG PHE A 126 11.286 7.479 37.784 1.00 51.38 C ATOM 1115 CD1 PHE A 126 11.282 8.717 37.133 1.00 53.72 C ATOM 1116 CD2 PHE A 126 10.281 6.563 37.484 1.00 45.90 C ATOM 1117 CE1 PHE A 126 10.300 9.047 36.217 1.00 55.79 C ATOM 1118 CE2 PHE A 126 9.283 6.885 36.563 1.00 51.61 C ATOM 1119 CZ PHE A 126 9.298 8.143 35.921 1.00 43.29 C ATOM 1120 H PHE A 126 13.454 6.322 40.965 1.00 0.00 H ATOM 1121 N ILE A 127 10.274 6.948 41.059 1.00 41.18 N ATOM 1122 CA ILE A 127 8.950 6.938 41.662 1.00 34.03 C ATOM 1123 C ILE A 127 8.891 7.925 42.818 1.00 42.91 C ATOM 1124 O ILE A 127 7.926 8.681 42.917 1.00 41.10 O ATOM 1125 CB ILE A 127 8.554 5.523 42.186 1.00 42.03 C ATOM 1126 CG1 ILE A 127 8.386 4.552 41.024 1.00 46.81 C ATOM 1127 CG2 ILE A 127 7.269 5.556 42.982 1.00 44.70 C ATOM 1128 CD1 ILE A 127 7.473 5.038 39.939 1.00 55.38 C ATOM 1129 H ILE A 127 10.819 6.063 41.030 1.00 0.00 H ATOM 1130 N ALA A 128 9.890 7.900 43.703 1.00 40.37 N ATOM 1131 CA ALA A 128 9.933 8.869 44.812 1.00 51.51 C ATOM 1132 C ALA A 128 10.000 10.302 44.291 1.00 47.64 C ATOM 1133 O ALA A 128 9.414 11.179 44.910 1.00 39.40 O ATOM 1134 CB ALA A 128 11.110 8.621 45.716 1.00 46.73 C ATOM 1135 H ALA A 128 10.644 7.190 43.609 1.00 0.00 H ATOM 1136 N GLY A 129 10.728 10.517 43.179 1.00 41.83 N ATOM 1137 CA GLY A 129 10.974 11.853 42.650 1.00 38.51 C ATOM 1138 C GLY A 129 9.619 12.441 42.254 1.00 44.95 C ATOM 1139 O GLY A 129 9.284 13.587 42.570 1.00 41.59 O ATOM 1140 H GLY A 129 11.130 9.699 42.678 1.00 0.00 H ATOM 1141 N ILE A 130 8.788 11.598 41.654 1.00 43.20 N ATOM 1142 CA ILE A 130 7.443 11.989 41.327 1.00 44.93 C ATOM 1143 C ILE A 130 6.625 12.317 42.560 1.00 54.56 C ATOM 1144 O ILE A 130 5.907 13.306 42.573 1.00 53.24 O ATOM 1145 CB ILE A 130 6.705 10.927 40.550 1.00 40.57 C ATOM 1146 CG1 ILE A 130 7.447 10.625 39.263 1.00 50.51 C ATOM 1147 CG2 ILE A 130 5.285 11.446 40.214 1.00 48.26 C ATOM 1148 CD1 ILE A 130 6.799 9.570 38.406 1.00 53.87 C ATOM 1149 H ILE A 130 9.114 10.640 41.416 1.00 0.00 H ATOM 1150 N ILE A 131 6.712 11.496 43.596 1.00 56.41 N ATOM 1151 CA ILE A 131 5.771 11.634 44.701 1.00 51.26 C ATOM 1152 C ILE A 131 6.172 12.709 45.697 1.00 45.89 C ATOM 1153 O ILE A 131 5.329 13.355 46.302 1.00 52.74 O ATOM 1154 CB ILE A 131 5.625 10.308 45.441 1.00 58.57 C ATOM 1155 CG1 ILE A 131 4.947 9.290 44.528 1.00 75.35 C ATOM 1156 CG2 ILE A 131 4.812 10.468 46.723 1.00 52.66 C ATOM 1157 CD1 ILE A 131 5.029 7.913 45.040 1.00 56.52 C ATOM 1158 H ILE A 131 7.445 10.759 43.621 1.00 0.00 H ATOM 1159 N PHE A 132 7.463 12.881 45.887 1.00 48.83 N ATOM 1160 CA PHE A 132 7.950 13.550 47.073 1.00 50.83 C ATOM 1161 C PHE A 132 8.761 14.791 46.755 1.00 52.59 C ATOM 1162 O PHE A 132 8.891 15.666 47.604 1.00 55.10 O ATOM 1163 CB PHE A 132 8.805 12.570 47.887 1.00 72.20 C ATOM 1164 CG PHE A 132 8.019 11.444 48.500 1.00 84.08 C ATOM 1165 CD1 PHE A 132 7.025 11.715 49.430 1.00 74.22 C ATOM 1166 CD2 PHE A 132 8.285 10.118 48.153 1.00 58.62 C ATOM 1167 CE1 PHE A 132 6.298 10.695 50.013 1.00 63.46 C ATOM 1168 CE2 PHE A 132 7.564 9.076 48.723 1.00 53.56 C ATOM 1169 CZ PHE A 132 6.562 9.369 49.673 1.00 51.38 C ATOM 1170 H PHE A 132 8.139 12.533 45.178 1.00 0.00 H ATOM 1171 N TRP A 133 9.305 14.852 45.538 1.00 45.56 N ATOM 1172 CA TRP A 133 10.283 15.863 45.201 1.00 51.65 C ATOM 1173 C TRP A 133 9.832 16.810 44.077 1.00 64.43 C ATOM 1174 O TRP A 133 10.628 17.577 43.572 1.00 53.00 O ATOM 1175 CB TRP A 133 11.585 15.161 44.812 1.00 48.05 C ATOM 1176 CG TRP A 133 12.201 14.323 45.931 1.00 51.97 C ATOM 1177 CD1 TRP A 133 11.970 12.992 46.205 1.00 47.88 C ATOM 1178 CD2 TRP A 133 13.156 14.765 46.889 1.00 59.32 C ATOM 1179 NE1 TRP A 133 12.717 12.597 47.281 1.00 55.17 N ATOM 1180 CE2 TRP A 133 13.456 13.661 47.721 1.00 53.54 C ATOM 1181 CE3 TRP A 133 13.787 15.995 47.134 1.00 69.23 C ATOM 1182 CZ2 TRP A 133 14.364 13.742 48.762 1.00 45.67 C ATOM 1183 CZ3 TRP A 133 14.673 16.086 48.183 1.00 59.65 C ATOM 1184 CH2 TRP A 133 14.959 14.958 48.989 1.00 60.18 C ATOM 1185 HE1 TRP A 133 12.722 11.644 47.697 1.00 0.00 H ATOM 1186 H TRP A 133 9.020 14.159 44.817 1.00 0.00 H ATOM 1187 N SER A 134 8.562 16.776 43.695 1.00 56.85 N ATOM 1188 CA SER A 134 8.117 17.554 42.541 1.00 56.76 C ATOM 1189 C SER A 134 8.187 19.096 42.777 1.00 53.06 C ATOM 1190 O SER A 134 8.372 19.849 41.825 1.00 69.20 O ATOM 1191 CB SER A 134 6.697 17.122 42.131 1.00 50.35 C ATOM 1192 OG SER A 134 5.711 17.678 42.978 1.00 52.99 O ATOM 1193 HG SER A 134 4.815 17.377 42.682 1.00 0.00 H ATOM 1194 H SER A 134 7.880 16.192 44.220 1.00 0.00 H ATOM 1195 N GLN A 135 8.084 19.548 44.028 1.00 54.90 N ATOM 1196 CA GLN A 135 8.205 20.975 44.319 1.00 60.81 C ATOM 1197 C GLN A 135 9.537 21.524 43.822 1.00 58.31 C ATOM 1198 O GLN A 135 9.651 22.708 43.601 1.00 61.16 O ATOM 1199 CB GLN A 135 8.059 21.272 45.818 1.00 60.41 C ATOM 1200 CG GLN A 135 8.902 20.387 46.687 1.00103.39 C ATOM 1201 CD GLN A 135 8.111 19.208 47.185 1.00103.23 C ATOM 1202 OE1 GLN A 135 8.001 18.172 46.518 1.00 59.75 O ATOM 1203 NE2 GLN A 135 7.501 19.378 48.343 1.00119.44 N ATOM 1204 HE22 GLN A 135 7.623 20.267 48.869 1.00 0.00 H ATOM 1205 HE21 GLN A 135 6.899 18.623 48.729 1.00 0.00 H ATOM 1206 H GLN A 135 7.916 18.877 44.805 1.00 0.00 H ATOM 1207 N TYR A 136 10.518 20.652 43.581 1.00 57.88 N ATOM 1208 CA TYR A 136 11.816 21.089 43.068 1.00 55.86 C ATOM 1209 C TYR A 136 11.945 21.031 41.531 1.00 64.51 C ATOM 1210 O TYR A 136 13.028 21.307 40.995 1.00 63.97 O ATOM 1211 CB TYR A 136 12.925 20.257 43.701 1.00 69.56 C ATOM 1212 CG TYR A 136 12.941 20.345 45.204 1.00 91.05 C ATOM 1213 CD1 TYR A 136 13.385 21.497 45.866 1.00 89.95 C ATOM 1214 CD2 TYR A 136 12.505 19.286 45.963 1.00 52.95 C ATOM 1215 CE1 TYR A 136 13.396 21.565 47.251 1.00 90.45 C ATOM 1216 CE2 TYR A 136 12.502 19.341 47.337 1.00 68.41 C ATOM 1217 CZ TYR A 136 12.951 20.481 47.983 1.00 92.49 C ATOM 1218 OH TYR A 136 12.944 20.509 49.356 1.00105.75 O ATOM 1219 HH TYR A 136 13.290 21.382 49.669 1.00 0.00 H ATOM 1220 H TYR A 136 10.356 19.641 43.762 1.00 0.00 H ATOM 1221 N ALA A 137 10.860 20.706 40.822 1.00 60.81 N ATOM 1222 CA ALA A 137 10.933 20.505 39.361 1.00 65.49 C ATOM 1223 C ALA A 137 11.329 21.782 38.607 1.00 88.20 C ATOM 1224 O ALA A 137 10.675 22.823 38.750 1.00 64.53 O ATOM 1225 CB ALA A 137 9.607 19.996 38.836 1.00 64.62 C ATOM 1226 H ALA A 137 9.948 20.593 41.308 1.00 0.00 H ATOM 1227 N TRP A 138 12.376 21.689 37.785 1.00 76.26 N ATOM 1228 CA TRP A 138 12.853 22.840 36.999 1.00 75.66 C ATOM 1229 C TRP A 138 11.720 23.601 36.317 1.00 60.68 C ATOM 1230 O TRP A 138 10.734 23.012 35.850 1.00 59.76 O ATOM 1231 CB TRP A 138 13.838 22.409 35.916 1.00 59.49 C ATOM 1232 CG TRP A 138 14.981 21.577 36.401 1.00 71.18 C ATOM 1233 CD1 TRP A 138 15.801 21.847 37.456 1.00 85.70 C ATOM 1234 CD2 TRP A 138 15.459 20.353 35.827 1.00 61.93 C ATOM 1235 NE1 TRP A 138 16.751 20.864 37.583 1.00 81.96 N ATOM 1236 CE2 TRP A 138 16.567 19.937 36.590 1.00 68.38 C ATOM 1237 CE3 TRP A 138 15.056 19.565 34.737 1.00 72.51 C ATOM 1238 CZ2 TRP A 138 17.273 18.772 36.306 1.00 48.81 C ATOM 1239 CZ3 TRP A 138 15.765 18.393 34.457 1.00 65.87 C ATOM 1240 CH2 TRP A 138 16.862 18.019 35.225 1.00 52.04 C ATOM 1241 HE1 TRP A 138 17.490 20.828 38.314 1.00 0.00 H ATOM 1242 H TRP A 138 12.869 20.778 37.697 1.00 0.00 H ATOM 1243 N LYS A 139 11.882 24.912 36.239 1.00 66.58 N ATOM 1244 CA LYS A 139 10.906 25.746 35.563 1.00 67.51 C ATOM 1245 C LYS A 139 10.576 25.123 34.195 1.00 66.47 C ATOM 1246 O LYS A 139 11.487 24.741 33.447 1.00 65.14 O ATOM 1247 CB LYS A 139 11.439 27.180 35.426 1.00 71.74 C ATOM 1248 CG LYS A 139 11.858 27.827 36.766 1.00 75.82 C ATOM 1249 CD LYS A 139 12.390 29.264 36.556 1.00 84.20 C ATOM 1250 CE LYS A 139 13.184 29.786 37.762 1.00 99.96 C ATOM 1251 NZ LYS A 139 13.503 31.261 37.680 1.00109.12 N ATOM 1252 HZ1 LYS A 139 14.071 31.445 36.829 1.00 0.00 H ATOM 1253 HZ2 LYS A 139 12.617 31.804 37.631 1.00 0.00 H ATOM 1254 HZ3 LYS A 139 14.039 31.546 38.524 1.00 0.00 H ATOM 1255 H LYS A 139 12.721 25.351 36.669 1.00 0.00 H ATOM 1256 N GLY A 140 9.277 24.970 33.908 1.00 67.71 N ATOM 1257 CA GLY A 140 8.809 24.406 32.643 1.00 73.60 C ATOM 1258 C GLY A 140 8.662 22.883 32.551 1.00 63.71 C ATOM 1259 O GLY A 140 8.133 22.378 31.558 1.00 81.02 O ATOM 1260 H GLY A 140 8.572 25.264 34.614 1.00 0.00 H ATOM 1261 N TRP A 141 9.091 22.161 33.587 1.00 67.33 N ATOM 1262 CA TRP A 141 9.070 20.685 33.578 1.00 68.86 C ATOM 1263 C TRP A 141 7.910 20.075 34.357 1.00 79.80 C ATOM 1264 O TRP A 141 7.655 20.451 35.491 1.00 56.24 O ATOM 1265 CB TRP A 141 10.383 20.142 34.157 1.00 67.04 C ATOM 1266 CG TRP A 141 11.549 20.359 33.247 1.00 62.85 C ATOM 1267 CD1 TRP A 141 12.069 21.563 32.836 1.00 70.36 C ATOM 1268 CD2 TRP A 141 12.338 19.346 32.622 1.00 59.08 C ATOM 1269 NE1 TRP A 141 13.133 21.350 31.988 1.00 61.79 N ATOM 1270 CE2 TRP A 141 13.315 20.000 31.832 1.00 60.46 C ATOM 1271 CE3 TRP A 141 12.303 17.949 32.633 1.00 56.86 C ATOM 1272 CZ2 TRP A 141 14.260 19.299 31.083 1.00 60.66 C ATOM 1273 CZ3 TRP A 141 13.240 17.255 31.898 1.00 48.27 C ATOM 1274 CH2 TRP A 141 14.198 17.930 31.119 1.00 55.87 C ATOM 1275 HE1 TRP A 141 13.706 22.093 31.539 1.00 0.00 H ATOM 1276 H TRP A 141 9.452 22.654 34.429 1.00 0.00 H ATOM 1277 N GLY A 142 7.214 19.113 33.761 1.00 56.95 N ATOM 1278 CA GLY A 142 6.330 18.256 34.551 1.00 53.91 C ATOM 1279 C GLY A 142 7.117 17.402 35.572 1.00 54.61 C ATOM 1280 O GLY A 142 8.317 17.224 35.459 1.00 48.82 O ATOM 1281 H GLY A 142 7.298 18.969 32.734 1.00 0.00 H ATOM 1282 N ALA A 143 6.422 16.883 36.577 1.00 66.95 N ATOM 1283 CA ALA A 143 7.033 16.101 37.654 1.00 55.85 C ATOM 1284 C ALA A 143 7.703 14.811 37.148 1.00 51.00 C ATOM 1285 O ALA A 143 8.853 14.538 37.434 1.00 46.28 O ATOM 1286 CB ALA A 143 5.980 15.763 38.698 1.00 52.03 C ATOM 1287 H ALA A 143 5.394 17.039 36.601 1.00 0.00 H ATOM 1288 N VAL A 144 6.964 14.040 36.375 1.00 46.87 N ATOM 1289 CA VAL A 144 7.468 12.825 35.786 1.00 47.03 C ATOM 1290 C VAL A 144 8.737 13.061 34.984 1.00 54.50 C ATOM 1291 O VAL A 144 9.743 12.346 35.179 1.00 43.54 O ATOM 1292 CB VAL A 144 6.426 12.169 34.888 1.00 45.97 C ATOM 1293 CG1 VAL A 144 7.011 10.828 34.280 1.00 50.27 C ATOM 1294 CG2 VAL A 144 5.184 11.898 35.683 1.00 49.08 C ATOM 1295 H VAL A 144 5.981 14.319 36.183 1.00 0.00 H ATOM 1296 N ALA A 145 8.697 14.065 34.105 1.00 48.25 N ATOM 1297 CA ALA A 145 9.831 14.355 33.218 1.00 46.10 C ATOM 1298 C ALA A 145 11.021 14.790 34.046 1.00 54.78 C ATOM 1299 O ALA A 145 12.151 14.356 33.794 1.00 47.52 O ATOM 1300 CB ALA A 145 9.456 15.443 32.162 1.00 45.82 C ATOM 1301 H ALA A 145 7.843 14.656 34.047 1.00 0.00 H ATOM 1302 N TYR A 146 10.757 15.631 35.054 1.00 45.02 N ATOM 1303 CA TYR A 146 11.799 16.044 35.979 1.00 44.45 C ATOM 1304 C TYR A 146 12.422 14.827 36.747 1.00 43.57 C ATOM 1305 O TYR A 146 13.659 14.695 36.853 1.00 41.23 O ATOM 1306 CB TYR A 146 11.231 17.070 36.951 1.00 48.02 C ATOM 1307 CG TYR A 146 12.161 17.424 38.076 1.00 48.57 C ATOM 1308 CD1 TYR A 146 13.376 18.050 37.830 1.00 45.22 C ATOM 1309 CD2 TYR A 146 11.815 17.158 39.388 1.00 48.86 C ATOM 1310 CE1 TYR A 146 14.221 18.393 38.866 1.00 42.71 C ATOM 1311 CE2 TYR A 146 12.651 17.491 40.429 1.00 49.89 C ATOM 1312 CZ TYR A 146 13.856 18.105 40.167 1.00 47.73 C ATOM 1313 OH TYR A 146 14.687 18.422 41.210 1.00 48.44 O ATOM 1314 HH TYR A 146 14.932 17.596 41.698 1.00 0.00 H ATOM 1315 H TYR A 146 9.790 15.995 35.177 1.00 0.00 H ATOM 1316 N SER A 147 11.587 13.945 37.286 1.00 38.05 N ATOM 1317 CA SER A 147 12.137 12.802 38.027 1.00 47.61 C ATOM 1318 C SER A 147 12.892 11.875 37.067 1.00 37.10 C ATOM 1319 O SER A 147 14.001 11.440 37.372 1.00 38.81 O ATOM 1320 CB SER A 147 11.058 12.014 38.775 1.00 43.85 C ATOM 1321 OG SER A 147 11.689 11.053 39.613 1.00 42.44 O ATOM 1322 HG SER A 147 10.998 10.538 40.101 1.00 0.00 H ATOM 1323 H SER A 147 10.559 14.062 37.185 1.00 0.00 H ATOM 1324 N LEU A 148 12.328 11.647 35.886 1.00 40.22 N ATOM 1325 CA LEU A 148 12.994 10.813 34.861 1.00 38.40 C ATOM 1326 C LEU A 148 14.381 11.312 34.508 1.00 39.08 C ATOM 1327 O LEU A 148 15.340 10.545 34.439 1.00 38.01 O ATOM 1328 CB LEU A 148 12.156 10.737 33.593 1.00 39.82 C ATOM 1329 CG LEU A 148 12.746 9.856 32.477 1.00 54.55 C ATOM 1330 CD1 LEU A 148 12.990 8.442 32.977 1.00 50.06 C ATOM 1331 CD2 LEU A 148 11.819 9.828 31.261 1.00 45.69 C ATOM 1332 H LEU A 148 11.398 12.064 35.677 1.00 0.00 H ATOM 1333 N ALA A 149 14.489 12.610 34.274 1.00 38.08 N ATOM 1334 CA ALA A 149 15.769 13.202 33.961 1.00 30.73 C ATOM 1335 C ALA A 149 16.721 13.043 35.114 1.00 35.53 C ATOM 1336 O ALA A 149 17.832 12.597 34.932 1.00 40.11 O ATOM 1337 CB ALA A 149 15.613 14.747 33.599 1.00 32.99 C ATOM 1338 H ALA A 149 13.642 13.212 34.316 1.00 0.00 H ATOM 1339 N VAL A 150 16.304 13.484 36.301 1.00 41.37 N ATOM 1340 CA VAL A 150 17.213 13.491 37.422 1.00 35.57 C ATOM 1341 C VAL A 150 17.615 12.067 37.800 1.00 37.12 C ATOM 1342 O VAL A 150 18.799 11.775 38.066 1.00 33.49 O ATOM 1343 CB VAL A 150 16.610 14.161 38.680 1.00 41.93 C ATOM 1344 CG1 VAL A 150 17.467 13.872 39.870 1.00 40.93 C ATOM 1345 CG2 VAL A 150 16.485 15.702 38.483 1.00 45.23 C ATOM 1346 H VAL A 150 15.327 13.822 36.419 1.00 0.00 H ATOM 1347 N ASN A 151 16.623 11.202 37.908 1.00 33.09 N ATOM 1348 CA ASN A 151 16.928 9.848 38.378 1.00 44.12 C ATOM 1349 C ASN A 151 17.386 8.927 37.225 1.00 43.62 C ATOM 1350 O ASN A 151 18.208 8.017 37.437 1.00 40.54 O ATOM 1351 CB ASN A 151 15.736 9.321 39.129 1.00 34.55 C ATOM 1352 CG ASN A 151 15.494 10.107 40.392 1.00 42.20 C ATOM 1353 OD1 ASN A 151 16.390 10.220 41.227 1.00 32.90 O ATOM 1354 ND2 ASN A 151 14.301 10.680 40.535 1.00 36.37 N ATOM 1355 HD22 ASN A 151 13.574 10.557 39.802 1.00 0.00 H ATOM 1356 HD21 ASN A 151 14.096 11.251 41.380 1.00 0.00 H ATOM 1357 H ASN A 151 15.649 11.475 37.665 1.00 0.00 H ATOM 1358 N GLY A 152 16.924 9.200 36.009 1.00 45.10 N ATOM 1359 CA GLY A 152 17.410 8.479 34.826 1.00 31.71 C ATOM 1360 C GLY A 152 18.898 8.768 34.700 1.00 40.75 C ATOM 1361 O GLY A 152 19.717 7.851 34.569 1.00 30.67 O ATOM 1362 H GLY A 152 16.203 9.940 35.893 1.00 0.00 H ATOM 1363 N ILE A 153 19.276 10.040 34.808 1.00 41.74 N ATOM 1364 CA ILE A 153 20.684 10.378 34.606 1.00 31.72 C ATOM 1365 C ILE A 153 21.557 9.905 35.782 1.00 49.40 C ATOM 1366 O ILE A 153 22.643 9.397 35.567 1.00 34.00 O ATOM 1367 CB ILE A 153 20.901 11.876 34.368 1.00 36.55 C ATOM 1368 CG1 ILE A 153 20.265 12.297 33.051 1.00 40.14 C ATOM 1369 CG2 ILE A 153 22.394 12.207 34.307 1.00 38.49 C ATOM 1370 CD1 ILE A 153 20.318 13.827 32.804 1.00 31.22 C ATOM 1371 H ILE A 153 18.581 10.781 35.032 1.00 0.00 H ATOM 1372 N SER A 154 21.106 10.095 37.016 1.00 42.14 N ATOM 1373 CA SER A 154 21.810 9.521 38.162 1.00 36.10 C ATOM 1374 C SER A 154 21.986 7.990 38.026 1.00 42.36 C ATOM 1375 O SER A 154 23.053 7.469 38.295 1.00 34.08 O ATOM 1376 CB SER A 154 21.094 9.807 39.464 1.00 32.07 C ATOM 1377 OG SER A 154 21.211 11.180 39.801 1.00 36.80 O ATOM 1378 HG SER A 154 20.738 11.351 40.654 1.00 0.00 H ATOM 1379 H SER A 154 20.244 10.657 37.169 1.00 0.00 H ATOM 1380 N GLY A 155 20.934 7.288 37.623 1.00 31.61 N ATOM 1381 CA GLY A 155 21.009 5.840 37.418 1.00 28.39 C ATOM 1382 C GLY A 155 22.094 5.465 36.411 1.00 42.45 C ATOM 1383 O GLY A 155 22.969 4.617 36.687 1.00 32.53 O ATOM 1384 H GLY A 155 20.034 7.779 37.448 1.00 0.00 H ATOM 1385 N ILE A 156 22.095 6.170 35.270 1.00 39.30 N ATOM 1386 CA ILE A 156 23.069 5.901 34.233 1.00 36.66 C ATOM 1387 C ILE A 156 24.475 6.164 34.729 1.00 45.93 C ATOM 1388 O ILE A 156 25.347 5.314 34.520 1.00 36.70 O ATOM 1389 CB ILE A 156 22.779 6.683 32.946 1.00 42.12 C ATOM 1390 CG1 ILE A 156 21.482 6.161 32.317 1.00 34.29 C ATOM 1391 CG2 ILE A 156 23.888 6.498 31.934 1.00 35.65 C ATOM 1392 CD1 ILE A 156 20.954 7.040 31.155 1.00 43.22 C ATOM 1393 H ILE A 156 21.388 6.919 35.128 1.00 0.00 H ATOM 1394 N LEU A 157 24.693 7.279 35.427 1.00 34.97 N ATOM 1395 CA LEU A 157 26.040 7.644 35.829 1.00 34.52 C ATOM 1396 C LEU A 157 26.514 6.660 36.895 1.00 44.33 C ATOM 1397 O LEU A 157 27.689 6.363 37.000 1.00 36.30 O ATOM 1398 CB LEU A 157 26.095 9.099 36.371 1.00 37.44 C ATOM 1399 CG LEU A 157 25.920 10.275 35.379 1.00 38.54 C ATOM 1400 CD1 LEU A 157 25.945 11.597 36.068 1.00 38.54 C ATOM 1401 CD2 LEU A 157 26.989 10.306 34.299 1.00 39.16 C ATOM 1402 H LEU A 157 23.893 7.891 35.685 1.00 0.00 H ATOM 1403 N THR A 158 25.587 6.225 37.742 1.00 35.12 N ATOM 1404 CA THR A 158 25.899 5.312 38.834 1.00 39.87 C ATOM 1405 C THR A 158 26.336 3.966 38.219 1.00 45.47 C ATOM 1406 O THR A 158 27.308 3.353 38.650 1.00 36.90 O ATOM 1407 CB THR A 158 24.694 5.132 39.768 1.00 36.58 C ATOM 1408 OG1 THR A 158 24.497 6.346 40.533 1.00 38.29 O ATOM 1409 CG2 THR A 158 24.918 3.985 40.712 1.00 38.46 C ATOM 1410 HG1 THR A 158 24.328 7.101 39.915 1.00 0.00 H ATOM 1411 H THR A 158 24.606 6.547 37.621 1.00 0.00 H ATOM 1412 N ALA A 159 25.658 3.570 37.152 1.00 32.60 N ATOM 1413 CA ALA A 159 26.005 2.327 36.454 1.00 41.14 C ATOM 1414 C ALA A 159 27.333 2.438 35.719 1.00 39.52 C ATOM 1415 O ALA A 159 28.087 1.467 35.639 1.00 36.66 O ATOM 1416 CB ALA A 159 24.907 1.933 35.499 1.00 26.75 C ATOM 1417 H ALA A 159 24.868 4.149 36.804 1.00 0.00 H ATOM 1418 N ILE A 160 27.636 3.617 35.193 1.00 35.96 N ATOM 1419 CA ILE A 160 28.930 3.833 34.537 1.00 34.95 C ATOM 1420 C ILE A 160 30.063 3.618 35.533 1.00 39.39 C ATOM 1421 O ILE A 160 31.015 2.903 35.250 1.00 39.71 O ATOM 1422 CB ILE A 160 29.050 5.259 33.914 1.00 37.53 C ATOM 1423 CG1 ILE A 160 28.235 5.354 32.637 1.00 34.09 C ATOM 1424 CG2 ILE A 160 30.506 5.646 33.594 1.00 35.81 C ATOM 1425 CD1 ILE A 160 28.031 6.866 32.133 1.00 41.56 C ATOM 1426 H ILE A 160 26.949 4.396 35.246 1.00 0.00 H ATOM 1427 N ALA A 161 29.948 4.245 36.702 1.00 36.48 N ATOM 1428 CA ALA A 161 30.966 4.119 37.735 1.00 37.56 C ATOM 1429 C ALA A 161 31.089 2.689 38.292 1.00 45.51 C ATOM 1430 O ALA A 161 32.199 2.201 38.534 1.00 35.89 O ATOM 1431 CB ALA A 161 30.670 5.093 38.881 1.00 40.46 C ATOM 1432 H ALA A 161 29.112 4.838 36.881 1.00 0.00 H ATOM 1433 N ALA A 162 29.941 2.076 38.564 1.00 32.19 N ATOM 1434 CA ALA A 162 29.861 0.681 38.990 1.00 34.49 C ATOM 1435 C ALA A 162 30.523 -0.222 37.912 1.00 45.03 C ATOM 1436 O ALA A 162 31.318 -1.086 38.253 1.00 34.28 O ATOM 1437 CB ALA A 162 28.409 0.274 39.241 1.00 27.02 C ATOM 1438 H ALA A 162 29.057 2.616 38.469 1.00 0.00 H ATOM 1439 N PHE A 163 30.268 0.038 36.630 1.00 41.97 N ATOM 1440 CA PHE A 163 30.928 -0.740 35.556 1.00 28.26 C ATOM 1441 C PHE A 163 32.421 -0.537 35.529 1.00 42.50 C ATOM 1442 O PHE A 163 33.125 -1.531 35.432 1.00 34.06 O ATOM 1443 CB PHE A 163 30.424 -0.419 34.173 1.00 36.28 C ATOM 1444 CG PHE A 163 29.136 -1.116 33.803 1.00 31.39 C ATOM 1445 CD1 PHE A 163 28.205 -1.459 34.765 1.00 27.98 C ATOM 1446 CD2 PHE A 163 28.849 -1.367 32.470 1.00 28.04 C ATOM 1447 CE1 PHE A 163 26.978 -2.045 34.388 1.00 35.73 C ATOM 1448 CE2 PHE A 163 27.641 -1.952 32.090 1.00 36.03 C ATOM 1449 CZ PHE A 163 26.709 -2.296 33.048 1.00 38.31 C ATOM 1450 H PHE A 163 29.599 0.794 36.381 1.00 0.00 H ATOM 1451 N VAL A 164 32.906 0.718 35.614 1.00 31.86 N ATOM 1452 CA VAL A 164 34.332 0.951 35.561 1.00 33.82 C ATOM 1453 C VAL A 164 34.998 0.144 36.692 1.00 34.25 C ATOM 1454 O VAL A 164 35.907 -0.627 36.452 1.00 41.07 O ATOM 1455 CB VAL A 164 34.697 2.443 35.694 1.00 32.11 C ATOM 1456 CG1 VAL A 164 36.201 2.598 35.792 1.00 43.62 C ATOM 1457 CG2 VAL A 164 34.158 3.243 34.525 1.00 35.68 C ATOM 1458 H VAL A 164 32.253 1.521 35.718 1.00 0.00 H ATOM 1459 N ILE A 165 34.519 0.297 37.922 1.00 41.00 N ATOM 1460 CA ILE A 165 35.167 -0.367 39.030 1.00 32.11 C ATOM 1461 C ILE A 165 35.069 -1.903 38.983 1.00 43.47 C ATOM 1462 O ILE A 165 36.067 -2.601 39.230 1.00 33.10 O ATOM 1463 CB ILE A 165 34.620 0.135 40.378 1.00 30.55 C ATOM 1464 CG1 ILE A 165 34.856 1.630 40.478 1.00 44.65 C ATOM 1465 CG2 ILE A 165 35.331 -0.581 41.549 1.00 44.17 C ATOM 1466 CD1 ILE A 165 36.284 1.991 40.587 1.00 38.29 C ATOM 1467 H ILE A 165 33.682 0.892 38.086 1.00 0.00 H ATOM 1468 N LEU A 166 33.885 -2.427 38.691 1.00 33.63 N ATOM 1469 CA LEU A 166 33.695 -3.866 38.689 1.00 34.91 C ATOM 1470 C LEU A 166 34.387 -4.509 37.491 1.00 44.24 C ATOM 1471 O LEU A 166 34.848 -5.652 37.595 1.00 35.14 O ATOM 1472 CB LEU A 166 32.200 -4.222 38.694 1.00 37.67 C ATOM 1473 CG LEU A 166 31.470 -3.928 40.008 1.00 33.20 C ATOM 1474 CD1 LEU A 166 29.983 -4.249 39.862 1.00 32.90 C ATOM 1475 CD2 LEU A 166 32.077 -4.720 41.156 1.00 41.87 C ATOM 1476 H LEU A 166 33.087 -1.801 38.462 1.00 0.00 H ATOM 1477 N ILE A 167 34.500 -3.787 36.365 1.00 38.24 N ATOM 1478 CA ILE A 167 35.248 -4.331 35.246 1.00 30.11 C ATOM 1479 C ILE A 167 36.707 -4.511 35.677 1.00 48.54 C ATOM 1480 O ILE A 167 37.291 -5.542 35.385 1.00 42.39 O ATOM 1481 CB ILE A 167 35.168 -3.465 33.981 1.00 37.59 C ATOM 1482 CG1 ILE A 167 33.755 -3.581 33.388 1.00 37.53 C ATOM 1483 CG2 ILE A 167 36.222 -3.946 32.929 1.00 39.46 C ATOM 1484 CD1 ILE A 167 33.460 -2.618 32.218 1.00 43.40 C ATOM 1485 H ILE A 167 34.057 -2.849 36.295 1.00 0.00 H ATOM 1486 N ILE A 168 37.273 -3.528 36.387 1.00 37.46 N ATOM 1487 CA ILE A 168 38.662 -3.615 36.834 1.00 45.77 C ATOM 1488 C ILE A 168 38.817 -4.819 37.762 1.00 49.90 C ATOM 1489 O ILE A 168 39.824 -5.533 37.705 1.00 49.32 O ATOM 1490 CB ILE A 168 39.123 -2.310 37.578 1.00 40.20 C ATOM 1491 CG1 ILE A 168 39.111 -1.108 36.631 1.00 54.30 C ATOM 1492 CG2 ILE A 168 40.541 -2.459 38.190 1.00 38.52 C ATOM 1493 CD1 ILE A 168 39.134 0.205 37.360 1.00 38.53 C ATOM 1494 H ILE A 168 36.713 -2.685 36.626 1.00 0.00 H ATOM 1495 N PHE A 169 37.814 -5.024 38.618 1.00 45.20 N ATOM 1496 CA PHE A 169 37.820 -6.126 39.583 1.00 47.32 C ATOM 1497 C PHE A 169 37.728 -7.493 38.855 1.00 50.72 C ATOM 1498 O PHE A 169 38.450 -8.436 39.208 1.00 47.99 O ATOM 1499 CB PHE A 169 36.672 -5.993 40.594 1.00 43.92 C ATOM 1500 CG PHE A 169 36.882 -4.919 41.649 1.00 51.10 C ATOM 1501 CD1 PHE A 169 38.048 -4.163 41.694 1.00 79.23 C ATOM 1502 CD2 PHE A 169 35.893 -4.678 42.609 1.00 47.42 C ATOM 1503 CE1 PHE A 169 38.234 -3.180 42.674 1.00 70.48 C ATOM 1504 CE2 PHE A 169 36.078 -3.702 43.599 1.00 55.84 C ATOM 1505 CZ PHE A 169 37.252 -2.958 43.627 1.00 64.65 C ATOM 1506 H PHE A 169 36.999 -4.378 38.599 1.00 0.00 H ATOM 1507 N VAL A 170 36.866 -7.590 37.845 1.00 39.09 N ATOM 1508 CA VAL A 170 36.763 -8.800 37.051 1.00 53.98 C ATOM 1509 C VAL A 170 38.111 -9.143 36.402 1.00 63.16 C ATOM 1510 O VAL A 170 38.489 -10.313 36.338 1.00 52.16 O ATOM 1511 CB VAL A 170 35.680 -8.662 35.963 1.00 48.23 C ATOM 1512 CG1 VAL A 170 35.780 -9.779 34.942 1.00 44.92 C ATOM 1513 CG2 VAL A 170 34.296 -8.661 36.602 1.00 46.15 C ATOM 1514 H VAL A 170 36.253 -6.781 37.620 1.00 0.00 H ATOM 1515 N LYS A 171 38.850 -8.132 35.952 1.00 56.42 N ATOM 1516 CA LYS A 171 40.092 -8.386 35.224 1.00 46.70 C ATOM 1517 C LYS A 171 41.302 -8.609 36.150 1.00 45.86 C ATOM 1518 O LYS A 171 42.230 -9.345 35.792 1.00 54.40 O ATOM 1519 CB LYS A 171 40.383 -7.236 34.239 1.00 58.49 C ATOM 1520 CG LYS A 171 39.389 -7.156 33.050 1.00 97.57 C ATOM 1521 CD LYS A 171 39.422 -8.404 32.132 1.00102.33 C ATOM 1522 CE LYS A 171 38.206 -8.485 31.192 1.00101.01 C ATOM 1523 NZ LYS A 171 37.959 -9.877 30.684 1.00 93.95 N ATOM 1524 HZ1 LYS A 171 38.793 -10.205 30.157 1.00 0.00 H ATOM 1525 HZ2 LYS A 171 37.784 -10.512 31.489 1.00 0.00 H ATOM 1526 HZ3 LYS A 171 37.130 -9.874 30.056 1.00 0.00 H ATOM 1527 H LYS A 171 38.541 -7.153 36.120 1.00 0.00 H ATOM 1528 N LYS A 172 41.286 -8.010 37.333 1.00 47.62 N ATOM 1529 CA LYS A 172 42.432 -8.061 38.241 1.00 54.47 C ATOM 1530 C LYS A 172 42.158 -8.905 39.487 1.00 57.96 C ATOM 1531 O LYS A 172 43.095 -9.347 40.139 1.00 56.57 O ATOM 1532 CB LYS A 172 42.852 -6.637 38.661 1.00 54.32 C ATOM 1533 CG LYS A 172 43.298 -5.740 37.496 1.00 79.99 C ATOM 1534 CD LYS A 172 44.579 -6.235 36.814 1.00109.84 C ATOM 1535 CE LYS A 172 44.825 -5.506 35.494 1.00 96.45 C ATOM 1536 NZ LYS A 172 46.094 -5.912 34.824 1.00118.29 N ATOM 1537 HZ1 LYS A 172 46.897 -5.705 35.451 1.00 0.00 H ATOM 1538 HZ2 LYS A 172 46.066 -6.931 34.619 1.00 0.00 H ATOM 1539 HZ3 LYS A 172 46.201 -5.382 33.936 1.00 0.00 H ATOM 1540 H LYS A 172 40.434 -7.489 37.624 1.00 0.00 H ATOM 1541 N PHE A 173 40.890 -9.124 39.830 1.00 54.10 N ATOM 1542 CA PHE A 173 40.564 -9.893 41.043 1.00 44.31 C ATOM 1543 C PHE A 173 39.295 -10.738 40.852 1.00 45.79 C ATOM 1544 O PHE A 173 38.347 -10.607 41.632 1.00 53.14 O ATOM 1545 CB PHE A 173 40.383 -8.954 42.268 1.00 51.98 C ATOM 1546 CG PHE A 173 41.397 -7.818 42.361 1.00 77.67 C ATOM 1547 CD1 PHE A 173 42.726 -8.061 42.710 1.00 71.52 C ATOM 1548 CD2 PHE A 173 41.001 -6.499 42.140 1.00 78.85 C ATOM 1549 CE1 PHE A 173 43.639 -7.023 42.803 1.00 71.50 C ATOM 1550 CE2 PHE A 173 41.907 -5.457 42.235 1.00 70.73 C ATOM 1551 CZ PHE A 173 43.231 -5.719 42.565 1.00 76.40 C ATOM 1552 H PHE A 173 40.123 -8.749 39.236 1.00 0.00 H ATOM 1553 N PRO A 174 39.276 -11.615 39.827 1.00 48.62 N ATOM 1554 CA PRO A 174 38.014 -12.311 39.503 1.00 51.86 C ATOM 1555 C PRO A 174 37.518 -13.181 40.672 1.00 49.33 C ATOM 1556 O PRO A 174 36.311 -13.373 40.798 1.00 46.96 O ATOM 1557 CB PRO A 174 38.363 -13.176 38.265 1.00 46.30 C ATOM 1558 CG PRO A 174 39.909 -13.322 38.301 1.00 48.09 C ATOM 1559 CD PRO A 174 40.440 -12.112 39.060 1.00 52.71 C ATOM 1560 N LYS A 175 38.409 -13.675 41.527 1.00 47.89 N ATOM 1561 CA LYS A 175 37.962 -14.555 42.626 1.00 57.47 C ATOM 1562 C LYS A 175 37.122 -13.812 43.674 1.00 56.09 C ATOM 1563 O LYS A 175 36.444 -14.446 44.454 1.00 58.44 O ATOM 1564 CB LYS A 175 39.150 -15.237 43.313 1.00 53.73 C ATOM 1565 CG LYS A 175 39.961 -16.195 42.400 1.00 56.32 C ATOM 1566 CD LYS A 175 39.063 -17.073 41.533 1.00 63.33 C ATOM 1567 CE LYS A 175 39.887 -18.012 40.655 1.00104.72 C ATOM 1568 NZ LYS A 175 39.055 -18.971 39.879 1.00 88.05 N ATOM 1569 HZ1 LYS A 175 38.502 -19.559 40.535 1.00 0.00 H ATOM 1570 HZ2 LYS A 175 38.410 -18.444 39.257 1.00 0.00 H ATOM 1571 HZ3 LYS A 175 39.673 -19.579 39.305 1.00 0.00 H ATOM 1572 H LYS A 175 39.417 -13.442 41.422 1.00 0.00 H ATOM 1573 N LEU A 176 37.142 -12.479 43.672 1.00 53.91 N ATOM 1574 CA LEU A 176 36.256 -11.720 44.549 1.00 53.49 C ATOM 1575 C LEU A 176 34.784 -12.063 44.295 1.00 49.08 C ATOM 1576 O LEU A 176 33.944 -11.879 45.160 1.00 67.75 O ATOM 1577 CB LEU A 176 36.437 -10.225 44.347 1.00 46.44 C ATOM 1578 CG LEU A 176 37.454 -9.360 45.061 1.00 70.44 C ATOM 1579 CD1 LEU A 176 37.331 -7.962 44.462 1.00 48.23 C ATOM 1580 CD2 LEU A 176 37.209 -9.341 46.549 1.00 87.61 C ATOM 1581 H LEU A 176 37.795 -11.975 43.039 1.00 0.00 H ATOM 1582 N PHE A 177 34.484 -12.497 43.074 1.00 48.65 N ATOM 1583 CA PHE A 177 33.114 -12.752 42.658 1.00 46.26 C ATOM 1584 C PHE A 177 32.676 -14.207 42.835 1.00 45.31 C ATOM 1585 O PHE A 177 31.539 -14.547 42.520 1.00 54.39 O ATOM 1586 CB PHE A 177 32.945 -12.365 41.202 1.00 49.56 C ATOM 1587 CG PHE A 177 33.179 -10.918 40.924 1.00 46.77 C ATOM 1588 CD1 PHE A 177 34.469 -10.431 40.700 1.00 39.30 C ATOM 1589 CD2 PHE A 177 32.108 -10.045 40.831 1.00 42.14 C ATOM 1590 CE1 PHE A 177 34.670 -9.102 40.407 1.00 36.35 C ATOM 1591 CE2 PHE A 177 32.311 -8.720 40.576 1.00 41.40 C ATOM 1592 CZ PHE A 177 33.602 -8.240 40.357 1.00 43.07 C ATOM 1593 H PHE A 177 35.254 -12.659 42.395 1.00 0.00 H ATOM 1594 N ILE A 178 33.582 -15.051 43.324 1.00 48.18 N ATOM 1595 CA ILE A 178 33.296 -16.466 43.494 1.00 64.71 C ATOM 1596 C ILE A 178 33.603 -16.879 44.938 1.00 58.19 C ATOM 1597 O ILE A 178 34.760 -16.915 45.359 1.00 61.73 O ATOM 1598 CB ILE A 178 34.095 -17.338 42.492 1.00 63.39 C ATOM 1599 CG1 ILE A 178 33.874 -16.825 41.070 1.00 58.95 C ATOM 1600 CG2 ILE A 178 33.697 -18.853 42.649 1.00 66.43 C ATOM 1601 CD1 ILE A 178 34.508 -17.654 39.982 1.00 65.99 C ATOM 1602 H ILE A 178 34.519 -14.688 43.591 1.00 0.00 H ATOM 1603 N HIS A 179 32.560 -17.150 45.712 1.00 64.58 N ATOM 1604 CA HIS A 179 32.785 -17.459 47.107 1.00 59.26 C ATOM 1605 C HIS A 179 33.400 -18.814 47.177 1.00 98.37 C ATOM 1606 O HIS A 179 32.964 -19.736 46.491 1.00 83.25 O ATOM 1607 CB HIS A 179 31.528 -17.469 47.941 1.00 60.51 C ATOM 1608 CG HIS A 179 31.700 -18.224 49.216 1.00 66.79 C ATOM 1609 ND1 HIS A 179 32.729 -17.959 50.092 1.00 69.19 N ATOM 1610 CD2 HIS A 179 31.040 -19.290 49.724 1.00 90.70 C ATOM 1611 CE1 HIS A 179 32.662 -18.787 51.111 1.00 71.05 C ATOM 1612 NE2 HIS A 179 31.650 -19.613 50.910 1.00 93.03 N ATOM 1613 H HIS A 179 31.596 -17.140 45.322 1.00 0.00 H ATOM 1614 N SER A 180 34.406 -18.930 48.027 1.00111.02 N ATOM 1615 CA SER A 180 35.063 -20.194 48.243 1.00 86.20 C ATOM 1616 C SER A 180 35.084 -20.577 49.713 1.00 82.83 C ATOM 1617 O SER A 180 35.582 -19.840 50.563 1.00 93.17 O ATOM 1618 CB SER A 180 36.489 -20.132 47.706 1.00 82.58 C ATOM 1619 OG SER A 180 37.216 -21.276 48.108 1.00109.63 O ATOM 1620 HG SER A 180 37.244 -21.317 49.097 1.00 0.00 H ATOM 1621 H SER A 180 34.730 -18.092 48.550 1.00 0.00 H ATOM 1622 N ASN A 181 34.534 -21.737 50.016 1.00103.53 N ATOM 1623 CA ASN A 181 34.945 -22.424 51.230 1.00117.39 C ATOM 1624 C ASN A 181 36.442 -22.722 51.093 1.00101.37 C ATOM 1625 O ASN A 181 36.985 -22.692 49.989 1.00132.82 O ATOM 1626 CB ASN A 181 34.132 -23.698 51.450 1.00110.98 C ATOM 1627 CG ASN A 181 32.640 -23.423 51.564 1.00116.03 C ATOM 1628 OD1 ASN A 181 32.216 -22.310 51.899 1.00100.66 O ATOM 1629 ND2 ASN A 181 31.837 -24.439 51.282 1.00106.80 N ATOM 1630 HD22 ASN A 181 32.238 -25.357 51.005 1.00 0.00 H ATOM 1631 HD21 ASN A 181 30.806 -24.318 51.338 1.00 0.00 H ATOM 1632 H ASN A 181 33.814 -22.156 49.393 1.00 0.00 H ATOM 1633 N TYR A 182 37.097 -22.983 52.217 1.00100.74 N ATOM 1634 CA TYR A 182 38.557 -23.150 52.296 1.00102.55 C ATOM 1635 C TYR A 182 39.250 -21.794 52.094 1.00113.27 C ATOM 1636 O TYR A 182 39.971 -21.307 52.971 1.00131.72 O ATOM 1637 CB TYR A 182 39.073 -24.192 51.278 1.00 96.18 C ATOM 1638 CG TYR A 182 38.190 -25.422 51.135 1.00114.54 C ATOM 1639 CD1 TYR A 182 38.151 -26.373 52.143 1.00106.52 C ATOM 1640 CD2 TYR A 182 37.397 -25.633 50.002 1.00100.78 C ATOM 1641 CE1 TYR A 182 37.348 -27.510 52.048 1.00113.53 C ATOM 1642 CE2 TYR A 182 36.581 -26.772 49.894 1.00 98.21 C ATOM 1643 CZ TYR A 182 36.566 -27.708 50.928 1.00109.80 C ATOM 1644 OH TYR A 182 35.778 -28.848 50.872 1.00108.94 O ATOM 1645 OXT TYR A 182 39.096 -21.139 51.067 1.00119.45 O ATOM 1646 HH TYR A 182 35.909 -29.379 51.697 1.00 0.00 H ATOM 1647 H TYR A 182 36.546 -23.075 53.094 1.00 0.00 H TER 1648 TYR A 182 HETATM 1649 O HOH 1 31.240 -17.994 54.400 1.00 54.79 O HETATM 1650 O HOH 2 33.728 -19.691 53.945 1.00 66.13 O HETATM 1651 O HOH 3 30.055 8.980 47.569 1.00 43.68 O HETATM 1652 O HOH 4 27.762 7.322 46.744 1.00 38.74 O HETATM 1653 O HOH 5 23.088 10.511 48.056 1.00 73.09 O HETATM 1654 O HOH 6 14.646 17.244 43.709 1.00 44.94 O HETATM 1655 O HOH 7 17.318 18.531 48.789 1.00 69.02 O HETATM 1656 O HOH 8 17.717 18.458 41.165 1.00 55.11 O HETATM 1657 O HOH 9 26.547 10.489 53.237 1.00 69.67 O HETATM 1658 O HOH 10 30.423 16.505 44.111 1.00 62.34 O HETATM 1659 O HOH 11 27.317 15.109 47.100 1.00 53.55 O HETATM 1660 O HOH 12 19.008 10.955 41.582 1.00 35.78 O HETATM 1661 O HOH 13 19.503 5.048 49.307 1.00 46.51 O HETATM 1662 O HOH 14 28.514 -12.701 38.607 1.00 39.45 O HETATM 1663 O HOH 15 29.457 -13.816 41.080 1.00 37.99 O HETATM 1664 O HOH 16 22.629 -15.025 49.550 1.00 38.80 O HETATM 1665 O HOH 17 20.065 -16.302 48.213 1.00 54.18 O HETATM 1666 O HOH 18 21.047 -15.860 45.089 1.00 54.21 O HETATM 1667 O HOH 19 20.913 4.106 51.516 1.00 57.07 O HETATM 1668 O HOH 20 18.977 10.858 58.572 1.00 67.43 O HETATM 1669 O HOH 21 24.486 13.857 53.903 1.00 74.79 O HETATM 1670 O HOH 22 30.465 -18.595 35.398 1.00 59.56 O HETATM 1671 O HOH 23 8.873 15.321 40.230 1.00 48.20 O HETATM 1672 O HOH 24 28.470 3.057 41.302 1.00 54.94 O HETATM 1673 O HOH 25 35.097 -24.303 37.080 1.00 55.69 O HETATM 1674 O HOH 26 33.489 -15.578 26.579 1.00 79.71 O HETATM 1675 O HOH 27 21.649 9.746 50.012 1.00 57.53 O HETATM 1676 O HOH 28 28.977 -19.728 37.173 1.00 56.11 O HETATM 1677 O HOH 29 35.337 -9.862 28.553 1.00 85.14 O HETATM 1678 O HOH 30 36.574 -11.914 31.810 1.00 71.92 O HETATM 1679 O HOH 31 37.165 -20.753 41.031 1.00 58.50 O HETATM 1680 O HOH 32 8.215 22.738 36.998 1.00 50.60 O HETATM 1681 O HOH 33 30.053 -16.841 44.250 1.00 51.18 O HETATM 1682 CM2 UNN A 34 13.945 14.523 41.764 1.00 -0.00 C HETATM 1683 C2A UNN A 34 14.479 13.774 42.978 1.00 0.08 C HETATM 1684 N3A UNN A 34 14.179 12.476 43.119 1.00 -0.26 N HETATM 1685 C4A UNN A 34 14.633 11.779 44.182 1.00 0.12 C HETATM 1686 N4A UNN A 34 14.300 10.416 44.305 1.00 -0.32 N HETATM 1687 H4 UNN A 34 14.640 9.873 45.112 1.00 0.18 H HETATM 1688 H5 UNN A 34 13.716 9.962 43.588 1.00 0.18 H HETATM 1689 C5A UNN A 34 15.444 12.453 45.137 1.00 0.03 C HETATM 1690 C7A UNN A 34 16.017 11.749 46.354 1.00 0.00 C HETATM 1691 C3 UNN A 34 17.141 10.833 45.900 1.00 -0.06 C HETATM 1692 C2 UNN A 34 17.596 10.700 44.549 1.00 -0.03 C HETATM 1693 S1 UNN A 34 18.855 9.550 44.560 1.00 -0.07 S HETATM 1694 C5 UNN A 34 18.841 9.140 46.165 1.00 0.03 C HETATM 1695 C6 UNN A 34 19.803 8.105 46.722 1.00 0.08 C HETATM 1696 O1 UNN A 34 19.586 8.048 48.088 1.00 -0.38 O HETATM 1697 H9 UNN A 34 19.752 8.902 48.470 1.00 0.21 H HETATM 1698 H10 UNN A 34 19.607 7.123 46.267 1.00 0.07 H HETATM 1699 H11 UNN A 34 20.841 8.404 46.516 1.00 0.07 H HETATM 1700 C4 UNN A 34 17.829 9.935 46.800 1.00 -0.06 C HETATM 1701 CM4 UNN A 34 17.462 9.895 48.260 1.00 -0.05 C HETATM 1702 H6 UNN A 34 18.092 9.155 48.776 1.00 0.03 H HETATM 1703 H7 UNN A 34 16.404 9.613 48.365 1.00 0.03 H HETATM 1704 H8 UNN A 34 17.622 10.888 48.706 1.00 0.03 H HETATM 1705 H12 UNN A 34 17.211 11.232 43.680 1.00 0.05 H HETATM 1706 H13 UNN A 34 16.409 12.494 47.062 1.00 0.05 H HETATM 1707 H14 UNN A 34 15.230 11.156 46.843 1.00 0.05 H HETATM 1708 C6A UNN A 34 15.742 13.830 44.944 1.00 0.01 C HETATM 1709 N1A UNN A 34 15.229 14.432 43.865 1.00 -0.29 N HETATM 1710 H15 UNN A 34 16.363 14.373 45.647 1.00 0.08 H HETATM 1711 H1 UNN A 34 13.352 13.837 41.142 1.00 0.04 H HETATM 1712 H2 UNN A 34 14.787 14.916 41.176 1.00 0.04 H HETATM 1713 H3 UNN A 34 13.310 15.357 42.098 1.00 0.04 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 1682 1683 1711 1712 1713 CONECT 1683 1682 1684 1709 CONECT 1684 1683 1685 CONECT 1685 1684 1686 1689 CONECT 1686 1685 1687 1688 CONECT 1687 1686 CONECT 1688 1686 CONECT 1689 1685 1690 1708 CONECT 1690 1689 1691 1706 1707 CONECT 1691 1690 1692 1700 CONECT 1692 1691 1693 1705 CONECT 1693 1692 1694 CONECT 1694 1693 1695 1700 CONECT 1695 1694 1696 1698 1699 CONECT 1696 1695 1697 CONECT 1697 1696 CONECT 1698 1695 CONECT 1699 1695 CONECT 1700 1691 1694 1701 CONECT 1701 1700 1702 1703 1704 CONECT 1702 1701 CONECT 1703 1701 CONECT 1704 1701 CONECT 1705 1692 CONECT 1706 1690 CONECT 1707 1690 CONECT 1708 1689 1709 1710 CONECT 1709 1683 1708 CONECT 1710 1708 CONECT 1711 1682 CONECT 1712 1682 CONECT 1713 1682 MASTER 0 0 0 0 0 0 0 0 1712 1 36 14 END
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Structure:
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Protein
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Related entries of code: 4pov
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3rlb
RCSB PDB
PDBbind
192aa, >3RLB_1|Chains... *
4pop
RCSB PDB
PDBbind
192aa, >4POP_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4pop
RCSB PDB
PDBbind
2VY
Entry Information
PDB ID
4pov
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Thiamine transporter ThiT
Ligand Name
2VY
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=5.21nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Chembiochem Vol. 16: pp. 819-826
Ligand Properties
Formula
C
1
2
H
1
5
N
3
OS
Molecular Weight
249.332
Exact Mass
249.094
No. of atoms
32
No. of bonds
33
Polar Surface Area
100.27
LOGP Value
1.37 (
Computed with XLOGP3
)
2.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
OCc1scc(c1C)Cc1cnc(nc1N)C
InChI String
InChI=1S/C12H15N3OS/c1-7-10(6-17-11(7)5-16)3-9-4-14-8(2)15-12(9)13/h4,6,16H,3,5H2,1-2H3,(H2,13,14,15)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A2RI47
Entrez Gene ID
NCBI Entrez Gene ID:
61108638
ASD
Information of known allosteric effects of PDB entries
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