Browse entries in the PDBbind-CN Database
HEADER 4KTU_COMPLEX COMPND 4KTU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET CA A 1 1 HET ACE A 480 202 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 22 CYS A 157 SSBOND 3 CYS A 168 CYS A 182 SSBOND 4 CYS A 136 CYS A 201 SSBOND 5 CYS A 191 CYS A 220 SSBOND 6 CYS A 128 CYS A 232 ATOM 1 N ILE A 16 29.662 -16.834 67.513 1.00 12.28 N ATOM 2 CA ILE A 16 29.153 -18.233 67.363 1.00 12.82 C ATOM 3 C ILE A 16 30.328 -19.097 66.916 1.00 14.03 C ATOM 4 O ILE A 16 30.914 -18.810 65.870 1.00 13.56 O ATOM 5 CB ILE A 16 28.043 -18.256 66.286 1.00 12.88 C ATOM 6 CG1 ILE A 16 26.863 -17.332 66.633 1.00 12.95 C ATOM 7 CG2 ILE A 16 27.584 -19.688 66.073 1.00 14.51 C ATOM 8 CD1 ILE A 16 25.983 -17.740 67.821 1.00 13.47 C ATOM 9 HN3 ILE A 16 30.034 -16.502 66.600 1.00 0.00 H ATOM 10 HN2 ILE A 16 30.420 -16.817 68.225 1.00 0.00 H ATOM 11 HN1 ILE A 16 28.884 -16.214 67.818 1.00 0.00 H ATOM 12 N VAL A 17 30.641 -20.118 67.681 1.00 13.44 N ATOM 13 CA VAL A 17 31.649 -21.102 67.370 1.00 13.50 C ATOM 14 C VAL A 17 30.970 -22.380 66.813 1.00 14.46 C ATOM 15 O VAL A 17 30.024 -22.893 67.458 1.00 14.92 O ATOM 16 CB VAL A 17 32.434 -21.485 68.644 1.00 14.21 C ATOM 17 CG1 VAL A 17 33.539 -22.503 68.319 1.00 15.11 C ATOM 18 CG2 VAL A 17 33.036 -20.252 69.321 1.00 15.30 C ATOM 19 H VAL A 17 30.124 -20.225 68.577 1.00 0.00 H ATOM 20 N GLY A 18 31.473 -22.931 65.728 1.00 16.33 N ATOM 21 CA GLY A 18 30.947 -24.177 65.226 1.00 17.53 C ATOM 22 C GLY A 18 29.655 -24.029 64.491 1.00 17.28 C ATOM 23 O GLY A 18 29.001 -25.034 64.227 1.00 19.68 O ATOM 24 H GLY A 18 32.256 -22.464 65.228 1.00 0.00 H ATOM 25 N GLY A 19 29.290 -22.815 64.066 1.00 16.69 N ATOM 26 CA GLY A 19 28.053 -22.516 63.364 1.00 17.34 C ATOM 27 C GLY A 19 28.322 -22.383 61.879 1.00 16.37 C ATOM 28 O GLY A 19 29.298 -22.971 61.329 1.00 18.83 O ATOM 29 H GLY A 19 29.940 -22.025 64.252 1.00 0.00 H ATOM 30 N TYR A 20 27.487 -21.605 61.204 1.00 15.27 N ATOM 31 CA TYR A 20 27.517 -21.467 59.786 1.00 16.21 C ATOM 32 C TYR A 20 27.031 -20.044 59.445 1.00 17.40 C ATOM 33 O TYR A 20 26.346 -19.371 60.214 1.00 16.46 O ATOM 34 CB TYR A 20 26.627 -22.486 59.071 1.00 18.38 C ATOM 35 CG TYR A 20 25.157 -22.466 59.495 1.00 16.74 C ATOM 36 CD1 TYR A 20 24.723 -23.223 60.558 1.00 17.27 C ATOM 37 CD2 TYR A 20 24.195 -21.740 58.775 1.00 19.42 C ATOM 38 CE1 TYR A 20 23.377 -23.226 60.951 1.00 17.71 C ATOM 39 CE2 TYR A 20 22.846 -21.753 59.157 1.00 18.94 C ATOM 40 CZ TYR A 20 22.486 -22.536 60.228 1.00 18.35 C ATOM 41 OH TYR A 20 21.170 -22.521 60.591 1.00 21.10 O ATOM 42 HH TYR A 20 20.616 -22.835 59.833 1.00 0.00 H ATOM 43 H TYR A 20 26.773 -21.068 61.737 1.00 0.00 H ATOM 44 N THR A 21 27.386 -19.595 58.245 1.00 18.85 N ATOM 45 CA THR A 21 26.890 -18.376 57.716 1.00 17.95 C ATOM 46 C THR A 21 25.398 -18.422 57.467 1.00 18.43 C ATOM 47 O THR A 21 24.911 -19.233 56.669 1.00 19.49 O ATOM 48 CB THR A 21 27.643 -18.009 56.450 1.00 22.65 C ATOM 49 OG1 THR A 21 28.986 -17.751 56.806 1.00 21.93 O ATOM 50 CG2 THR A 21 27.056 -16.794 55.798 1.00 22.55 C ATOM 51 HG1 THR A 21 29.500 -17.509 55.996 1.00 0.00 H ATOM 52 H THR A 21 28.050 -20.157 57.675 1.00 0.00 H ATOM 53 N CYS A 22 24.633 -17.599 58.172 1.00 17.55 N ATOM 54 CA CYS A 22 23.165 -17.682 58.082 1.00 17.46 C ATOM 55 C CYS A 22 22.678 -17.452 56.658 1.00 18.76 C ATOM 56 O CYS A 22 21.749 -18.132 56.206 1.00 20.97 O ATOM 57 CB CYS A 22 22.447 -16.665 59.009 1.00 17.93 C ATOM 58 SG CYS A 22 22.948 -16.655 60.740 1.00 17.08 S ATOM 59 H CYS A 22 25.073 -16.890 58.793 1.00 0.00 H ATOM 60 N GLY A 23 23.242 -16.469 55.976 1.00 19.28 N ATOM 61 CA GLY A 23 22.679 -15.906 54.780 1.00 21.11 C ATOM 62 C GLY A 23 22.026 -14.589 55.050 1.00 19.80 C ATOM 63 O GLY A 23 21.350 -14.379 56.060 1.00 19.81 O ATOM 64 H GLY A 23 24.142 -16.082 56.325 1.00 0.00 H ATOM 65 N ALA A 24 22.256 -13.634 54.160 1.00 24.38 N ATOM 66 CA ALA A 24 21.852 -12.251 54.432 1.00 21.39 C ATOM 67 C ALA A 24 20.351 -12.137 54.714 1.00 20.57 C ATOM 68 O ALA A 24 19.482 -12.577 53.948 1.00 25.04 O ATOM 69 CB ALA A 24 22.246 -11.352 53.275 1.00 24.15 C ATOM 70 H ALA A 24 22.726 -13.867 53.262 1.00 0.00 H ATOM 71 N ASN A 25 20.028 -11.545 55.851 1.00 19.86 N ATOM 72 CA ASN A 25 18.662 -11.172 56.262 1.00 20.58 C ATOM 73 C ASN A 25 17.746 -12.371 56.431 1.00 19.52 C ATOM 74 O ASN A 25 16.546 -12.204 56.513 1.00 21.13 O ATOM 75 CB ASN A 25 18.075 -10.063 55.355 1.00 21.25 C ATOM 76 CG ASN A 25 19.052 -8.927 55.109 1.00 20.18 C ATOM 77 OD1 ASN A 25 19.552 -8.731 53.996 1.00 23.49 O ATOM 78 ND2 ASN A 25 19.360 -8.189 56.183 1.00 21.73 N ATOM 79 HD22 ASN A 25 18.912 -8.392 57.099 1.00 0.00 H ATOM 80 HD21 ASN A 25 20.047 -7.412 56.101 1.00 0.00 H ATOM 81 H ASN A 25 20.801 -11.324 56.510 1.00 0.00 H ATOM 82 N THR A 26 18.336 -13.546 56.684 1.00 18.98 N ATOM 83 CA THR A 26 17.539 -14.745 56.971 1.00 17.96 C ATOM 84 C THR A 26 17.074 -14.809 58.421 1.00 17.76 C ATOM 85 O THR A 26 16.312 -15.691 58.775 1.00 19.87 O ATOM 86 CB THR A 26 18.318 -16.030 56.643 1.00 21.82 C ATOM 87 OG1 THR A 26 19.559 -16.066 57.387 1.00 20.67 O ATOM 88 CG2 THR A 26 18.541 -16.123 55.169 1.00 23.51 C ATOM 89 HG1 THR A 26 20.111 -15.281 57.144 1.00 0.00 H ATOM 90 H THR A 26 19.374 -13.610 56.677 1.00 0.00 H ATOM 91 N VAL A 27 17.612 -13.944 59.281 1.00 17.61 N ATOM 92 CA VAL A 27 17.231 -13.844 60.678 1.00 16.75 C ATOM 93 C VAL A 27 16.801 -12.413 60.923 1.00 15.98 C ATOM 94 O VAL A 27 17.543 -11.581 61.484 1.00 15.75 O ATOM 95 CB VAL A 27 18.414 -14.237 61.600 1.00 15.31 C ATOM 96 CG1 VAL A 27 17.957 -14.364 63.016 1.00 14.21 C ATOM 97 CG2 VAL A 27 19.018 -15.559 61.150 1.00 15.91 C ATOM 98 H VAL A 27 18.350 -13.301 58.929 1.00 0.00 H ATOM 99 N PRO A 28 15.602 -12.040 60.440 1.00 16.32 N ATOM 100 CA PRO A 28 15.284 -10.588 60.302 1.00 15.56 C ATOM 101 C PRO A 28 14.951 -9.869 61.600 1.00 15.98 C ATOM 102 O PRO A 28 14.834 -8.641 61.631 1.00 16.40 O ATOM 103 CB PRO A 28 14.119 -10.572 59.366 1.00 19.16 C ATOM 104 CG PRO A 28 13.447 -11.923 59.585 1.00 18.04 C ATOM 105 CD PRO A 28 14.598 -12.873 59.739 1.00 17.37 C ATOM 106 N TYR A 29 14.857 -10.619 62.680 1.00 15.07 N ATOM 107 CA TYR A 29 14.631 -10.098 64.028 1.00 15.01 C ATOM 108 C TYR A 29 16.000 -9.822 64.781 1.00 11.89 C ATOM 109 O TYR A 29 15.961 -9.235 65.850 1.00 13.56 O ATOM 110 CB TYR A 29 13.789 -11.079 64.856 1.00 15.00 C ATOM 111 CG TYR A 29 14.294 -12.502 64.824 1.00 14.26 C ATOM 112 CD1 TYR A 29 15.211 -12.966 65.743 1.00 13.40 C ATOM 113 CD2 TYR A 29 13.818 -13.431 63.852 1.00 15.60 C ATOM 114 CE1 TYR A 29 15.694 -14.247 65.734 1.00 14.95 C ATOM 115 CE2 TYR A 29 14.272 -14.725 63.832 1.00 15.83 C ATOM 116 CZ TYR A 29 15.218 -15.155 64.743 1.00 14.43 C ATOM 117 OH TYR A 29 15.724 -16.421 64.744 1.00 16.16 O ATOM 118 HH TYR A 29 16.383 -16.511 65.477 1.00 0.00 H ATOM 119 H TYR A 29 14.950 -11.649 62.566 1.00 0.00 H ATOM 120 N GLN A 30 17.096 -10.293 64.185 1.00 12.49 N ATOM 121 CA GLN A 30 18.400 -10.065 64.793 1.00 12.31 C ATOM 122 C GLN A 30 18.822 -8.603 64.606 1.00 13.36 C ATOM 123 O GLN A 30 18.880 -8.140 63.476 1.00 13.88 O ATOM 124 CB GLN A 30 19.443 -10.981 64.173 1.00 12.82 C ATOM 125 CG GLN A 30 20.871 -10.686 64.641 1.00 12.47 C ATOM 126 CD GLN A 30 21.286 -11.337 65.932 1.00 11.40 C ATOM 127 OE1 GLN A 30 21.823 -10.654 66.902 1.00 15.22 O ATOM 128 NE2 GLN A 30 21.131 -12.575 66.005 1.00 11.03 N ATOM 129 HE22 GLN A 30 20.699 -13.093 65.213 1.00 0.00 H ATOM 130 HE21 GLN A 30 21.434 -13.088 66.858 1.00 0.00 H ATOM 131 H GLN A 30 17.020 -10.820 63.292 1.00 0.00 H ATOM 132 N VAL A 31 19.128 -7.955 65.748 1.00 12.91 N ATOM 133 CA VAL A 31 19.731 -6.637 65.684 1.00 13.06 C ATOM 134 C VAL A 31 21.145 -6.659 66.281 1.00 12.03 C ATOM 135 O VAL A 31 21.530 -7.567 66.984 1.00 11.97 O ATOM 136 CB VAL A 31 18.812 -5.554 66.311 1.00 14.73 C ATOM 137 CG1 VAL A 31 17.372 -5.601 65.789 1.00 16.87 C ATOM 138 CG2 VAL A 31 18.826 -5.673 67.828 1.00 13.73 C ATOM 139 H VAL A 31 18.933 -8.397 66.669 1.00 0.00 H ATOM 140 N SER A 32 21.899 -5.603 65.931 1.00 13.23 N ATOM 141 CA SER A 32 23.222 -5.308 66.504 1.00 12.09 C ATOM 142 C SER A 32 23.114 -4.046 67.328 1.00 12.09 C ATOM 143 O SER A 32 22.542 -3.051 66.874 1.00 13.52 O ATOM 144 CB SER A 32 24.230 -5.122 65.371 1.00 12.93 C ATOM 145 OG SER A 32 25.453 -4.590 65.905 1.00 12.22 O ATOM 146 HG SER A 32 25.820 -5.219 66.576 1.00 0.00 H ATOM 147 H SER A 32 21.524 -4.954 65.210 1.00 0.00 H ATOM 148 N LEU A 33 23.661 -4.093 68.548 1.00 11.03 N ATOM 149 CA LEU A 33 23.744 -2.914 69.405 1.00 11.29 C ATOM 150 C LEU A 33 25.149 -2.332 69.221 1.00 11.23 C ATOM 151 O LEU A 33 26.146 -3.037 69.355 1.00 11.08 O ATOM 152 CB LEU A 33 23.500 -3.259 70.863 1.00 11.33 C ATOM 153 CG LEU A 33 22.204 -4.013 71.172 1.00 12.57 C ATOM 154 CD1 LEU A 33 22.037 -4.206 72.680 1.00 13.11 C ATOM 155 CD2 LEU A 33 21.013 -3.294 70.578 1.00 13.44 C ATOM 156 H LEU A 33 24.039 -4.997 68.897 1.00 0.00 H ATOM 157 N ASN A 34 25.151 -1.058 68.874 1.00 11.64 N ATOM 158 CA ASN A 34 26.374 -0.384 68.392 1.00 12.42 C ATOM 159 C ASN A 34 26.682 0.880 69.189 1.00 12.01 C ATOM 160 O ASN A 34 25.831 1.726 69.437 1.00 13.69 O ATOM 161 CB ASN A 34 26.164 -0.026 66.935 1.00 12.79 C ATOM 162 CG ASN A 34 27.453 0.499 66.285 1.00 13.02 C ATOM 163 OD1 ASN A 34 27.815 1.676 66.543 1.00 14.53 O ATOM 164 ND2 ASN A 34 28.152 -0.317 65.562 1.00 12.67 N ATOM 165 HD22 ASN A 34 27.804 -1.280 65.381 1.00 0.00 H ATOM 166 HD21 ASN A 34 29.062 -0.009 65.163 1.00 0.00 H ATOM 167 H ASN A 34 24.267 -0.514 68.942 1.00 0.00 H ATOM 168 N SER A 37 27.980 0.949 69.631 1.00 12.54 N ATOM 169 CA SER A 37 28.492 2.148 70.353 1.00 14.14 C ATOM 170 C SER A 37 29.763 2.593 69.651 1.00 13.57 C ATOM 171 O SER A 37 30.747 2.861 70.369 1.00 16.49 O ATOM 172 CB SER A 37 28.737 1.855 71.831 1.00 15.36 C ATOM 173 OG SER A 37 29.645 0.797 72.018 1.00 14.99 O ATOM 174 HG SER A 37 30.512 1.031 71.602 1.00 0.00 H ATOM 175 H SER A 37 28.620 0.147 69.458 1.00 0.00 H ATOM 176 N GLY A 38 29.713 2.738 68.349 1.00 13.41 N ATOM 177 CA GLY A 38 30.906 2.912 67.543 1.00 13.64 C ATOM 178 C GLY A 38 31.621 1.643 67.153 1.00 15.29 C ATOM 179 O GLY A 38 32.651 1.655 66.527 1.00 14.37 O ATOM 180 H GLY A 38 28.786 2.728 67.878 1.00 0.00 H ATOM 181 N TYR A 39 30.982 0.503 67.546 1.00 13.57 N ATOM 182 CA TYR A 39 31.403 -0.837 67.292 1.00 12.26 C ATOM 183 C TYR A 39 30.232 -1.721 67.788 1.00 11.53 C ATOM 184 O TYR A 39 29.508 -1.314 68.660 1.00 11.43 O ATOM 185 CB TYR A 39 32.702 -1.265 68.004 1.00 12.27 C ATOM 186 CG TYR A 39 32.729 -1.060 69.473 1.00 14.14 C ATOM 187 CD1 TYR A 39 32.975 0.202 70.040 1.00 13.52 C ATOM 188 CD2 TYR A 39 32.464 -2.107 70.351 1.00 12.86 C ATOM 189 CE1 TYR A 39 32.936 0.416 71.386 1.00 16.04 C ATOM 190 CE2 TYR A 39 32.461 -1.922 71.729 1.00 14.01 C ATOM 191 CZ TYR A 39 32.704 -0.677 72.260 1.00 15.56 C ATOM 192 OH TYR A 39 32.669 -0.500 73.641 1.00 19.44 O ATOM 193 HH TYR A 39 31.770 -0.739 73.980 1.00 0.00 H ATOM 194 H TYR A 39 30.100 0.623 68.084 1.00 0.00 H ATOM 195 N HIS A 40 30.136 -2.894 67.145 1.00 12.79 N ATOM 196 CA HIS A 40 29.168 -3.919 67.638 1.00 10.32 C ATOM 197 C HIS A 40 29.641 -4.443 68.973 1.00 10.49 C ATOM 198 O HIS A 40 30.800 -4.887 69.107 1.00 11.80 O ATOM 199 CB HIS A 40 29.095 -5.051 66.625 1.00 12.52 C ATOM 200 CG HIS A 40 28.408 -6.249 67.169 1.00 12.07 C ATOM 201 ND1 HIS A 40 27.029 -6.432 67.060 1.00 12.46 N ATOM 202 CD2 HIS A 40 28.880 -7.275 67.894 1.00 12.31 C ATOM 203 CE1 HIS A 40 26.727 -7.539 67.703 1.00 12.22 C ATOM 204 NE2 HIS A 40 27.820 -8.090 68.205 1.00 11.86 N ATOM 205 H HIS A 40 30.729 -3.088 66.313 1.00 0.00 H ATOM 206 N PHE A 41 28.746 -4.420 69.987 1.00 10.61 N ATOM 207 CA PHE A 41 29.062 -5.030 71.227 1.00 10.67 C ATOM 208 C PHE A 41 28.126 -6.135 71.761 1.00 10.36 C ATOM 209 O PHE A 41 28.525 -6.933 72.576 1.00 10.93 O ATOM 210 CB PHE A 41 29.270 -3.949 72.328 1.00 10.95 C ATOM 211 CG PHE A 41 28.062 -3.165 72.688 1.00 9.71 C ATOM 212 CD1 PHE A 41 27.179 -3.644 73.662 1.00 11.15 C ATOM 213 CD2 PHE A 41 27.746 -1.983 72.042 1.00 10.54 C ATOM 214 CE1 PHE A 41 26.051 -2.971 74.012 1.00 11.85 C ATOM 215 CE2 PHE A 41 26.619 -1.326 72.365 1.00 12.86 C ATOM 216 CZ PHE A 41 25.761 -1.811 73.345 1.00 11.70 C ATOM 217 H PHE A 41 27.825 -3.954 69.857 1.00 0.00 H ATOM 218 N CYS A 42 26.875 -6.140 71.287 1.00 10.98 N ATOM 219 CA CYS A 42 25.907 -7.136 71.736 1.00 10.09 C ATOM 220 C CYS A 42 24.910 -7.273 70.587 1.00 9.82 C ATOM 221 O CYS A 42 24.711 -6.373 69.763 1.00 11.31 O ATOM 222 CB CYS A 42 25.147 -6.668 72.989 1.00 10.16 C ATOM 223 SG CYS A 42 26.036 -7.013 74.544 1.00 10.41 S ATOM 224 H CYS A 42 26.588 -5.424 70.589 1.00 0.00 H ATOM 225 N GLY A 43 24.175 -8.396 70.626 1.00 10.19 N ATOM 226 CA GLY A 43 22.981 -8.563 69.809 1.00 11.05 C ATOM 227 C GLY A 43 21.740 -8.205 70.574 1.00 10.72 C ATOM 228 O GLY A 43 21.735 -7.797 71.727 1.00 10.62 O ATOM 229 H GLY A 43 24.467 -9.169 71.258 1.00 0.00 H ATOM 230 N GLY A 44 20.591 -8.422 69.854 1.00 12.04 N ATOM 231 CA GLY A 44 19.285 -8.191 70.428 1.00 12.11 C ATOM 232 C GLY A 44 18.275 -8.752 69.411 1.00 11.48 C ATOM 233 O GLY A 44 18.619 -9.173 68.315 1.00 11.85 O ATOM 234 H GLY A 44 20.662 -8.760 68.873 1.00 0.00 H ATOM 235 N SER A 45 17.019 -8.784 69.899 1.00 11.67 N ATOM 236 CA SER A 45 15.883 -9.319 69.099 1.00 12.75 C ATOM 237 C SER A 45 14.752 -8.272 69.019 1.00 12.92 C ATOM 238 O SER A 45 14.258 -7.809 70.057 1.00 14.00 O ATOM 239 CB SER A 45 15.335 -10.609 69.770 1.00 14.59 C ATOM 240 OG SER A 45 16.358 -11.569 69.837 1.00 14.72 O ATOM 241 HG SER A 45 17.110 -11.211 70.372 1.00 0.00 H ATOM 242 H SER A 45 16.839 -8.426 70.859 1.00 0.00 H ATOM 243 N LEU A 46 14.306 -7.991 67.811 1.00 14.75 N ATOM 244 CA LEU A 46 13.181 -7.079 67.599 1.00 16.13 C ATOM 245 C LEU A 46 11.876 -7.786 67.967 1.00 15.63 C ATOM 246 O LEU A 46 11.598 -8.827 67.420 1.00 15.91 O ATOM 247 CB LEU A 46 13.164 -6.659 66.175 1.00 15.40 C ATOM 248 CG LEU A 46 12.200 -5.484 65.858 1.00 16.60 C ATOM 249 CD1 LEU A 46 12.614 -4.176 66.522 1.00 17.00 C ATOM 250 CD2 LEU A 46 12.079 -5.334 64.380 1.00 19.92 C ATOM 251 H LEU A 46 14.765 -8.429 66.987 1.00 0.00 H ATOM 252 N ILE A 47 11.104 -7.239 68.915 1.00 14.31 N ATOM 253 CA ILE A 47 9.834 -7.884 69.320 1.00 16.89 C ATOM 254 C ILE A 47 8.610 -7.121 68.856 1.00 19.59 C ATOM 255 O ILE A 47 7.532 -7.691 68.832 1.00 19.91 O ATOM 256 CB ILE A 47 9.794 -8.229 70.814 1.00 18.40 C ATOM 257 CG1 ILE A 47 9.887 -7.020 71.717 1.00 19.31 C ATOM 258 CG2 ILE A 47 10.850 -9.294 71.165 1.00 17.34 C ATOM 259 CD1 ILE A 47 9.415 -7.291 73.147 1.00 21.48 C ATOM 260 H ILE A 47 11.399 -6.352 69.371 1.00 0.00 H ATOM 261 N ASN A 48 8.745 -5.844 68.492 1.00 18.85 N ATOM 262 CA ASN A 48 7.713 -5.098 67.747 1.00 19.23 C ATOM 263 C ASN A 48 8.456 -3.947 67.107 1.00 19.32 C ATOM 264 O ASN A 48 9.689 -3.811 67.287 1.00 19.42 O ATOM 265 CB ASN A 48 6.507 -4.683 68.634 1.00 20.47 C ATOM 266 CG ASN A 48 6.816 -3.676 69.736 1.00 23.82 C ATOM 267 OD1 ASN A 48 7.613 -2.766 69.591 1.00 20.46 O ATOM 268 ND2 ASN A 48 6.137 -3.832 70.837 1.00 32.74 N ATOM 269 HD22 ASN A 48 5.465 -4.621 70.926 1.00 0.00 H ATOM 270 HD21 ASN A 48 6.267 -3.168 71.627 1.00 0.00 H ATOM 271 H ASN A 48 9.623 -5.349 68.747 1.00 0.00 H ATOM 272 N SER A 49 7.738 -3.060 66.440 1.00 20.49 N ATOM 273 CA SER A 49 8.402 -2.007 65.644 1.00 21.88 C ATOM 274 C SER A 49 9.212 -1.014 66.504 1.00 19.46 C ATOM 275 O SER A 49 10.061 -0.290 65.971 1.00 22.20 O ATOM 276 CB SER A 49 7.395 -1.212 64.760 1.00 20.59 C ATOM 277 OG SER A 49 6.556 -0.477 65.624 1.00 24.97 O ATOM 278 HG SER A 49 5.904 0.040 65.088 1.00 0.00 H ATOM 279 H SER A 49 6.700 -3.104 66.476 1.00 0.00 H ATOM 280 N GLN A 50 8.923 -0.964 67.801 1.00 18.95 N ATOM 281 CA GLN A 50 9.580 0.021 68.684 1.00 22.64 C ATOM 282 C GLN A 50 10.426 -0.564 69.819 1.00 19.20 C ATOM 283 O GLN A 50 11.025 0.179 70.563 1.00 18.31 O ATOM 284 CB GLN A 50 8.583 0.969 69.365 1.00 26.27 C ATOM 285 CG GLN A 50 7.745 1.812 68.426 1.00 30.62 C ATOM 286 CD GLN A 50 6.677 2.554 69.198 1.00 39.75 C ATOM 287 OE1 GLN A 50 5.564 2.005 69.488 1.00 67.51 O ATOM 288 NE2 GLN A 50 7.028 3.755 69.598 1.00 38.36 N ATOM 289 HE22 GLN A 50 7.953 4.144 69.325 1.00 0.00 H ATOM 290 HE21 GLN A 50 6.381 4.316 70.188 1.00 0.00 H ATOM 291 H GLN A 50 8.226 -1.626 68.198 1.00 0.00 H ATOM 292 N TRP A 51 10.476 -1.894 69.949 1.00 18.22 N ATOM 293 CA TRP A 51 11.121 -2.514 71.104 1.00 15.51 C ATOM 294 C TRP A 51 11.997 -3.702 70.730 1.00 15.07 C ATOM 295 O TRP A 51 11.622 -4.572 69.899 1.00 15.82 O ATOM 296 CB TRP A 51 10.068 -2.946 72.137 1.00 16.75 C ATOM 297 CG TRP A 51 9.332 -1.851 72.845 1.00 17.44 C ATOM 298 CD1 TRP A 51 8.140 -1.222 72.465 1.00 19.86 C ATOM 299 CD2 TRP A 51 9.747 -1.224 74.078 1.00 17.87 C ATOM 300 NE1 TRP A 51 7.826 -0.258 73.412 1.00 20.30 N ATOM 301 CE2 TRP A 51 8.775 -0.240 74.402 1.00 19.03 C ATOM 302 CE3 TRP A 51 10.808 -1.416 74.936 1.00 16.26 C ATOM 303 CZ2 TRP A 51 8.836 0.502 75.549 1.00 20.06 C ATOM 304 CZ3 TRP A 51 10.885 -0.639 76.069 1.00 17.84 C ATOM 305 CH2 TRP A 51 9.913 0.305 76.365 1.00 19.45 C ATOM 306 HE1 TRP A 51 6.991 0.362 73.376 1.00 0.00 H ATOM 307 H TRP A 51 10.049 -2.496 69.217 1.00 0.00 H ATOM 308 N VAL A 52 13.121 -3.756 71.417 1.00 14.52 N ATOM 309 CA VAL A 52 14.144 -4.813 71.316 1.00 13.70 C ATOM 310 C VAL A 52 14.368 -5.420 72.680 1.00 12.39 C ATOM 311 O VAL A 52 14.429 -4.738 73.717 1.00 14.40 O ATOM 312 CB VAL A 52 15.453 -4.176 70.812 1.00 13.24 C ATOM 313 CG1 VAL A 52 16.660 -5.088 70.951 1.00 13.63 C ATOM 314 CG2 VAL A 52 15.303 -3.717 69.362 1.00 14.79 C ATOM 315 H VAL A 52 13.302 -2.984 72.090 1.00 0.00 H ATOM 316 N VAL A 53 14.547 -6.755 72.699 1.00 13.37 N ATOM 317 CA VAL A 53 14.958 -7.491 73.904 1.00 13.40 C ATOM 318 C VAL A 53 16.442 -7.815 73.777 1.00 11.84 C ATOM 319 O VAL A 53 16.910 -8.290 72.715 1.00 12.67 O ATOM 320 CB VAL A 53 14.177 -8.847 74.004 1.00 16.65 C ATOM 321 CG1 VAL A 53 14.732 -9.701 75.140 1.00 16.90 C ATOM 322 CG2 VAL A 53 12.741 -8.613 74.195 1.00 18.41 C ATOM 323 H VAL A 53 14.387 -7.290 71.821 1.00 0.00 H ATOM 324 N SER A 54 17.185 -7.540 74.855 1.00 11.44 N ATOM 325 CA SER A 54 18.601 -7.928 74.914 1.00 10.99 C ATOM 326 C SER A 54 18.916 -8.337 76.332 1.00 11.10 C ATOM 327 O SER A 54 18.015 -8.596 77.141 1.00 12.03 O ATOM 328 CB SER A 54 19.434 -6.729 74.402 1.00 12.18 C ATOM 329 OG SER A 54 20.814 -7.047 74.287 1.00 11.80 O ATOM 330 HG SER A 54 20.927 -7.796 73.650 1.00 0.00 H ATOM 331 H SER A 54 16.755 -7.045 75.662 1.00 0.00 H ATOM 332 N ALA A 55 20.212 -8.468 76.632 1.00 10.97 N ATOM 333 CA ALA A 55 20.675 -8.834 77.963 1.00 10.69 C ATOM 334 C ALA A 55 20.904 -7.585 78.834 1.00 10.42 C ATOM 335 O ALA A 55 21.385 -6.562 78.282 1.00 11.46 O ATOM 336 CB ALA A 55 21.985 -9.635 77.891 1.00 10.43 C ATOM 337 H ALA A 55 20.917 -8.302 75.886 1.00 0.00 H ATOM 338 N ALA A 56 20.569 -7.618 80.115 1.00 10.84 N ATOM 339 CA ALA A 56 20.872 -6.501 81.012 1.00 11.18 C ATOM 340 C ALA A 56 22.333 -6.161 81.046 1.00 11.15 C ATOM 341 O ALA A 56 22.678 -4.973 81.177 1.00 11.19 O ATOM 342 CB ALA A 56 20.374 -6.788 82.404 1.00 12.61 C ATOM 343 H ALA A 56 20.080 -8.455 80.492 1.00 0.00 H ATOM 344 N HIS A 57 23.237 -7.135 80.945 1.00 10.55 N ATOM 345 CA HIS A 57 24.659 -6.795 81.027 1.00 10.48 C ATOM 346 C HIS A 57 25.155 -6.100 79.801 1.00 10.08 C ATOM 347 O HIS A 57 26.288 -5.627 79.772 1.00 11.89 O ATOM 348 CB HIS A 57 25.528 -8.025 81.369 1.00 11.32 C ATOM 349 CG HIS A 57 25.695 -8.986 80.233 1.00 10.38 C ATOM 350 ND1 HIS A 57 24.889 -10.093 80.034 1.00 10.88 N ATOM 351 CD2 HIS A 57 26.643 -9.060 79.259 1.00 10.72 C ATOM 352 CE1 HIS A 57 25.331 -10.741 78.977 1.00 11.38 C ATOM 353 NE2 HIS A 57 26.373 -10.139 78.465 1.00 10.42 N ATOM 354 H HIS A 57 22.937 -8.122 80.810 1.00 0.00 H ATOM 355 N CYS A 58 24.344 -5.975 78.747 1.00 10.91 N ATOM 356 CA CYS A 58 24.602 -5.147 77.613 1.00 10.75 C ATOM 357 C CYS A 58 24.204 -3.659 77.742 1.00 11.55 C ATOM 358 O CYS A 58 24.382 -2.912 76.782 1.00 13.11 O ATOM 359 CB CYS A 58 23.903 -5.704 76.353 1.00 10.94 C ATOM 360 SG CYS A 58 24.481 -7.377 75.839 1.00 11.60 S ATOM 361 H CYS A 58 23.459 -6.521 78.753 1.00 0.00 H ATOM 362 N TYR A 59 23.673 -3.284 78.897 1.00 11.04 N ATOM 363 CA TYR A 59 23.231 -1.917 79.063 1.00 12.98 C ATOM 364 C TYR A 59 24.382 -0.966 78.871 1.00 12.98 C ATOM 365 O TYR A 59 25.426 -1.089 79.447 1.00 13.19 O ATOM 366 CB TYR A 59 22.719 -1.733 80.485 1.00 13.30 C ATOM 367 CG TYR A 59 22.254 -0.325 80.780 1.00 13.37 C ATOM 368 CD1 TYR A 59 23.103 0.632 81.248 1.00 15.71 C ATOM 369 CD2 TYR A 59 20.973 0.007 80.595 1.00 23.07 C ATOM 370 CE1 TYR A 59 22.653 1.906 81.468 1.00 17.82 C ATOM 371 CE2 TYR A 59 20.501 1.268 80.840 1.00 31.15 C ATOM 372 CZ TYR A 59 21.350 2.237 81.302 1.00 27.07 C ATOM 373 OH TYR A 59 20.965 3.519 81.572 1.00 60.59 O ATOM 374 HH TYR A 59 20.263 3.511 82.270 1.00 0.00 H ATOM 375 H TYR A 59 23.575 -3.966 79.676 1.00 0.00 H ATOM 376 N LYS A 60 24.103 0.100 78.122 1.00 13.50 N ATOM 377 CA LYS A 60 24.946 1.275 78.086 1.00 16.41 C ATOM 378 C LYS A 60 24.077 2.438 77.538 1.00 15.63 C ATOM 379 O LYS A 60 23.150 2.254 76.812 1.00 18.70 O ATOM 380 CB LYS A 60 26.288 1.025 77.470 1.00 26.98 C ATOM 381 CG LYS A 60 26.283 0.742 76.093 1.00 24.44 C ATOM 382 CD LYS A 60 27.738 0.807 75.446 1.00 23.08 C ATOM 383 CE LYS A 60 28.514 -0.491 75.592 1.00 16.83 C ATOM 384 NZ LYS A 60 29.793 -0.465 74.757 1.00 18.58 N ATOM 385 HZ1 LYS A 60 29.549 -0.334 73.755 1.00 0.00 H ATOM 386 HZ2 LYS A 60 30.396 0.321 75.073 1.00 0.00 H ATOM 387 HZ3 LYS A 60 30.302 -1.364 74.877 1.00 0.00 H ATOM 388 H LYS A 60 23.242 0.087 77.538 1.00 0.00 H ATOM 389 N SER A 61 24.402 3.648 77.942 1.00 17.05 N ATOM 390 CA SER A 61 23.769 4.832 77.359 1.00 19.96 C ATOM 391 C SER A 61 24.285 5.078 75.913 1.00 20.34 C ATOM 392 O SER A 61 25.437 4.794 75.615 1.00 23.93 O ATOM 393 CB SER A 61 24.123 6.063 78.289 1.00 20.22 C ATOM 394 OG SER A 61 23.611 5.845 79.625 1.00 19.97 O ATOM 395 HG SER A 61 23.839 6.621 80.195 1.00 0.00 H ATOM 396 H SER A 61 25.119 3.764 78.686 1.00 0.00 H ATOM 397 N GLY A 62 23.469 5.789 75.111 1.00 25.71 N ATOM 398 CA GLY A 62 23.888 6.241 73.743 1.00 30.48 C ATOM 399 C GLY A 62 23.932 5.133 72.663 1.00 29.50 C ATOM 400 O GLY A 62 24.744 5.183 71.764 1.00 46.74 O ATOM 401 H GLY A 62 22.517 6.033 75.451 1.00 0.00 H ATOM 402 N ILE A 63 23.238 4.038 72.900 1.00 27.95 N ATOM 403 CA ILE A 63 23.263 2.808 72.014 1.00 22.19 C ATOM 404 C ILE A 63 22.577 3.243 70.690 1.00 16.56 C ATOM 405 O ILE A 63 21.552 3.916 70.715 1.00 18.69 O ATOM 406 CB ILE A 63 22.475 1.622 72.700 1.00 18.55 C ATOM 407 CG1 ILE A 63 23.298 0.968 73.817 1.00 18.68 C ATOM 408 CG2 ILE A 63 22.083 0.525 71.700 1.00 18.16 C ATOM 409 CD1 ILE A 63 22.561 -0.134 74.572 1.00 23.82 C ATOM 410 H ILE A 63 22.636 4.016 73.748 1.00 0.00 H ATOM 411 N GLN A 64 23.125 2.801 69.554 1.00 13.90 N ATOM 412 CA GLN A 64 22.436 2.809 68.311 1.00 14.33 C ATOM 413 C GLN A 64 22.076 1.355 67.961 1.00 14.53 C ATOM 414 O GLN A 64 22.928 0.490 67.968 1.00 14.68 O ATOM 415 CB GLN A 64 23.321 3.397 67.228 1.00 15.98 C ATOM 416 CG GLN A 64 22.647 3.586 65.896 1.00 17.63 C ATOM 417 CD GLN A 64 23.633 4.107 64.846 1.00 16.22 C ATOM 418 OE1 GLN A 64 24.553 3.413 64.455 1.00 18.92 O ATOM 419 NE2 GLN A 64 23.415 5.363 64.402 1.00 21.06 N ATOM 420 HE22 GLN A 64 22.613 5.913 64.770 1.00 0.00 H ATOM 421 HE21 GLN A 64 24.049 5.781 63.692 1.00 0.00 H ATOM 422 H GLN A 64 24.098 2.435 69.581 1.00 0.00 H ATOM 423 N VAL A 65 20.807 1.142 67.670 1.00 13.85 N ATOM 424 CA VAL A 65 20.301 -0.171 67.222 1.00 13.81 C ATOM 425 C VAL A 65 20.417 -0.258 65.722 1.00 13.10 C ATOM 426 O VAL A 65 19.952 0.674 65.013 1.00 16.02 O ATOM 427 CB VAL A 65 18.860 -0.432 67.711 1.00 14.91 C ATOM 428 CG1 VAL A 65 18.412 -1.814 67.279 1.00 16.67 C ATOM 429 CG2 VAL A 65 18.782 -0.316 69.206 1.00 15.78 C ATOM 430 H VAL A 65 20.135 1.931 67.760 1.00 0.00 H ATOM 431 N ARG A 66 21.025 -1.343 65.219 1.00 12.45 N ATOM 432 CA ARG A 66 21.257 -1.510 63.817 1.00 14.00 C ATOM 433 C ARG A 66 20.451 -2.766 63.377 1.00 14.08 C ATOM 434 O ARG A 66 20.713 -3.903 63.809 1.00 13.59 O ATOM 435 CB ARG A 66 22.735 -1.652 63.470 1.00 14.10 C ATOM 436 CG ARG A 66 23.482 -0.368 63.866 1.00 15.11 C ATOM 437 CD ARG A 66 24.883 -0.373 63.273 1.00 14.88 C ATOM 438 NE ARG A 66 25.453 0.988 63.452 1.00 17.78 N ATOM 439 CZ ARG A 66 26.573 1.384 62.876 1.00 16.11 C ATOM 440 NH1 ARG A 66 27.317 0.527 62.199 1.00 16.87 N ATOM 441 NH2 ARG A 66 26.920 2.653 63.025 1.00 19.01 N ATOM 442 HE ARG A 66 24.945 1.661 64.061 1.00 0.00 H ATOM 443 HH12 ARG A 66 28.198 0.846 61.748 1.00 0.00 H ATOM 444 HH11 ARG A 66 27.022 -0.467 62.117 1.00 0.00 H ATOM 445 HH22 ARG A 66 27.795 3.008 62.588 1.00 0.00 H ATOM 446 HH21 ARG A 66 26.318 3.295 63.579 1.00 0.00 H ATOM 447 H ARG A 66 21.339 -2.089 65.872 1.00 0.00 H ATOM 448 N LEU A 67 19.432 -2.521 62.568 1.00 14.24 N ATOM 449 CA LEU A 67 18.464 -3.496 62.071 1.00 15.22 C ATOM 450 C LEU A 67 18.721 -3.726 60.610 1.00 16.97 C ATOM 451 O LEU A 67 19.361 -2.920 59.885 1.00 17.46 O ATOM 452 CB LEU A 67 17.043 -2.939 62.237 1.00 17.48 C ATOM 453 CG LEU A 67 16.610 -2.472 63.635 1.00 17.28 C ATOM 454 CD1 LEU A 67 16.775 -0.985 63.893 1.00 20.48 C ATOM 455 CD2 LEU A 67 15.242 -2.946 64.088 1.00 19.67 C ATOM 456 H LEU A 67 19.308 -1.537 62.255 1.00 0.00 H ATOM 457 N GLY A 69 18.342 -4.972 60.090 1.00 17.50 N ATOM 458 CA GLY A 69 18.635 -5.252 58.713 1.00 16.82 C ATOM 459 C GLY A 69 20.059 -5.532 58.311 1.00 17.31 C ATOM 460 O GLY A 69 20.395 -5.509 57.111 1.00 18.82 O ATOM 461 H GLY A 69 17.861 -5.675 60.687 1.00 0.00 H ATOM 462 N GLU A 70 20.899 -5.813 59.299 1.00 16.54 N ATOM 463 CA GLU A 70 22.272 -6.070 59.027 1.00 16.50 C ATOM 464 C GLU A 70 22.579 -7.462 58.581 1.00 16.62 C ATOM 465 O GLU A 70 22.007 -8.460 59.093 1.00 17.38 O ATOM 466 CB GLU A 70 23.100 -5.823 60.293 1.00 14.69 C ATOM 467 CG GLU A 70 23.273 -4.381 60.694 1.00 15.32 C ATOM 468 CD GLU A 70 24.295 -3.633 59.862 1.00 15.87 C ATOM 469 OE1 GLU A 70 24.696 -4.159 58.786 1.00 16.10 O ATOM 470 OE2 GLU A 70 24.719 -2.536 60.302 1.00 17.13 O ATOM 471 H GLU A 70 20.552 -5.846 60.279 1.00 0.00 H ATOM 472 N ASP A 71 23.541 -7.606 57.701 1.00 16.68 N ATOM 473 CA ASP A 71 24.273 -8.864 57.526 1.00 17.36 C ATOM 474 C ASP A 71 25.782 -8.623 57.768 1.00 17.79 C ATOM 475 O ASP A 71 26.264 -8.951 58.831 1.00 19.10 O ATOM 476 CB ASP A 71 23.991 -9.557 56.148 1.00 18.97 C ATOM 477 CG ASP A 71 24.630 -10.930 56.068 1.00 19.01 C ATOM 478 OD1 ASP A 71 24.479 -11.650 57.068 1.00 19.72 O ATOM 479 OD2 ASP A 71 25.303 -11.246 55.046 1.00 22.93 O ATOM 480 H ASP A 71 23.795 -6.794 57.103 1.00 0.00 H ATOM 481 N ASN A 72 26.466 -7.992 56.809 1.00 18.99 N ATOM 482 CA ASN A 72 27.842 -7.590 57.022 1.00 17.32 C ATOM 483 C ASN A 72 27.834 -6.287 57.865 1.00 17.82 C ATOM 484 O ASN A 72 27.363 -5.225 57.396 1.00 17.23 O ATOM 485 CB ASN A 72 28.548 -7.319 55.675 1.00 19.72 C ATOM 486 CG ASN A 72 30.030 -7.057 55.831 1.00 20.95 C ATOM 487 OD1 ASN A 72 30.470 -6.410 56.800 1.00 19.79 O ATOM 488 ND2 ASN A 72 30.825 -7.533 54.887 1.00 25.12 N ATOM 489 HD22 ASN A 72 30.424 -8.069 54.091 1.00 0.00 H ATOM 490 HD21 ASN A 72 31.851 -7.371 54.941 1.00 0.00 H ATOM 491 H ASN A 72 26.006 -7.787 55.899 1.00 0.00 H ATOM 492 N ILE A 73 28.278 -6.409 59.118 1.00 17.36 N ATOM 493 CA ILE A 73 28.206 -5.238 60.050 1.00 16.81 C ATOM 494 C ILE A 73 29.259 -4.151 59.759 1.00 17.43 C ATOM 495 O ILE A 73 29.153 -3.072 60.350 1.00 17.40 O ATOM 496 CB ILE A 73 28.233 -5.674 61.528 1.00 17.15 C ATOM 497 CG1 ILE A 73 29.410 -6.587 61.823 1.00 17.69 C ATOM 498 CG2 ILE A 73 26.862 -6.163 61.957 1.00 17.61 C ATOM 499 CD1 ILE A 73 29.644 -6.759 63.318 1.00 18.40 C ATOM 500 H ILE A 73 28.672 -7.314 59.446 1.00 0.00 H ATOM 501 N ASN A 74 30.200 -4.430 58.856 1.00 18.25 N ATOM 502 CA ASN A 74 31.268 -3.482 58.472 1.00 19.88 C ATOM 503 C ASN A 74 31.085 -2.824 57.164 1.00 22.35 C ATOM 504 O ASN A 74 31.889 -1.949 56.823 1.00 24.83 O ATOM 505 CB ASN A 74 32.583 -4.239 58.531 1.00 20.59 C ATOM 506 CG ASN A 74 32.915 -4.569 59.961 1.00 24.10 C ATOM 507 OD1 ASN A 74 32.899 -3.637 60.804 1.00 32.62 O ATOM 508 ND2 ASN A 74 33.200 -5.839 60.266 1.00 27.75 N ATOM 509 HD22 ASN A 74 33.197 -6.566 59.522 1.00 0.00 H ATOM 510 HD21 ASN A 74 33.425 -6.100 61.247 1.00 0.00 H ATOM 511 H ASN A 74 30.182 -5.363 58.398 1.00 0.00 H ATOM 512 N VAL A 75 30.046 -3.171 56.411 1.00 22.27 N ATOM 513 CA VAL A 75 29.811 -2.633 55.043 1.00 24.42 C ATOM 514 C VAL A 75 28.348 -2.233 54.960 1.00 22.14 C ATOM 515 O VAL A 75 27.447 -2.982 55.430 1.00 21.04 O ATOM 516 CB VAL A 75 30.144 -3.678 53.953 1.00 26.76 C ATOM 517 CG1 VAL A 75 29.799 -3.158 52.556 1.00 32.22 C ATOM 518 CG2 VAL A 75 31.616 -4.131 54.019 1.00 27.39 C ATOM 519 H VAL A 75 29.362 -3.853 56.797 1.00 0.00 H ATOM 520 N VAL A 76 28.079 -1.100 54.364 1.00 26.07 N ATOM 521 CA VAL A 76 26.695 -0.708 54.031 1.00 25.27 C ATOM 522 C VAL A 76 26.214 -1.480 52.784 1.00 25.52 C ATOM 523 O VAL A 76 26.757 -1.327 51.663 1.00 31.29 O ATOM 524 CB VAL A 76 26.592 0.792 53.845 1.00 30.31 C ATOM 525 CG1 VAL A 76 25.201 1.191 53.323 1.00 31.15 C ATOM 526 CG2 VAL A 76 26.879 1.474 55.173 1.00 31.96 C ATOM 527 H VAL A 76 28.860 -0.459 54.118 1.00 0.00 H ATOM 528 N GLU A 77 25.221 -2.344 53.003 1.00 25.04 N ATOM 529 CA GLU A 77 24.674 -3.200 51.992 1.00 25.57 C ATOM 530 C GLU A 77 23.336 -2.765 51.426 1.00 27.32 C ATOM 531 O GLU A 77 22.937 -3.285 50.368 1.00 35.38 O ATOM 532 CB GLU A 77 24.609 -4.646 52.437 1.00 26.12 C ATOM 533 CG GLU A 77 26.005 -5.227 52.670 1.00 25.37 C ATOM 534 CD GLU A 77 25.976 -6.651 53.153 1.00 26.42 C ATOM 535 OE1 GLU A 77 25.434 -6.954 54.252 1.00 24.06 O ATOM 536 OE2 GLU A 77 26.621 -7.436 52.413 1.00 32.94 O ATOM 537 H GLU A 77 24.821 -2.399 53.962 1.00 0.00 H ATOM 538 N GLY A 78 22.664 -1.832 52.090 1.00 26.24 N ATOM 539 CA GLY A 78 21.460 -1.256 51.591 1.00 32.14 C ATOM 540 C GLY A 78 20.151 -1.536 52.287 1.00 31.06 C ATOM 541 O GLY A 78 19.159 -0.883 51.989 1.00 32.30 O ATOM 542 H GLY A 78 23.030 -1.510 53.009 1.00 0.00 H ATOM 543 N ASN A 79 20.123 -2.518 53.178 1.00 26.89 N ATOM 544 CA ASN A 79 18.901 -2.808 53.912 1.00 25.95 C ATOM 545 C ASN A 79 18.880 -2.413 55.396 1.00 26.10 C ATOM 546 O ASN A 79 17.909 -2.632 56.108 1.00 24.95 O ATOM 547 CB ASN A 79 18.596 -4.272 53.735 1.00 31.21 C ATOM 548 CG ASN A 79 18.448 -4.658 52.268 1.00 27.51 C ATOM 549 OD1 ASN A 79 19.222 -5.471 51.747 1.00 31.62 O ATOM 550 ND2 ASN A 79 17.480 -4.054 51.586 1.00 30.78 N ATOM 551 HD22 ASN A 79 16.852 -3.377 52.064 1.00 0.00 H ATOM 552 HD21 ASN A 79 17.351 -4.258 50.574 1.00 0.00 H ATOM 553 H ASN A 79 20.978 -3.083 53.353 1.00 0.00 H ATOM 554 N GLU A 80 19.929 -1.713 55.823 1.00 21.65 N ATOM 555 CA GLU A 80 20.039 -1.346 57.191 1.00 21.07 C ATOM 556 C GLU A 80 19.067 -0.221 57.599 1.00 19.98 C ATOM 557 O GLU A 80 18.770 0.669 56.786 1.00 23.11 O ATOM 558 CB GLU A 80 21.461 -0.861 57.490 1.00 21.25 C ATOM 559 CG GLU A 80 22.584 -1.864 57.231 1.00 21.24 C ATOM 560 CD GLU A 80 23.201 -1.788 55.864 1.00 19.55 C ATOM 561 OE1 GLU A 80 22.583 -1.090 54.980 1.00 23.84 O ATOM 562 OE2 GLU A 80 24.278 -2.422 55.650 1.00 20.24 O ATOM 563 H GLU A 80 20.672 -1.433 55.151 1.00 0.00 H ATOM 564 N GLN A 81 18.595 -0.251 58.847 1.00 18.76 N ATOM 565 CA GLN A 81 18.015 0.894 59.545 1.00 17.49 C ATOM 566 C GLN A 81 18.878 1.061 60.811 1.00 17.18 C ATOM 567 O GLN A 81 19.049 0.132 61.592 1.00 18.32 O ATOM 568 CB GLN A 81 16.532 0.719 59.915 1.00 18.61 C ATOM 569 CG GLN A 81 15.703 0.547 58.644 1.00 20.56 C ATOM 570 CD GLN A 81 14.295 0.163 58.946 1.00 19.87 C ATOM 571 OE1 GLN A 81 13.651 0.773 59.821 1.00 21.17 O ATOM 572 NE2 GLN A 81 13.800 -0.863 58.278 1.00 23.74 N ATOM 573 HE22 GLN A 81 14.377 -1.341 57.556 1.00 0.00 H ATOM 574 HE21 GLN A 81 12.834 -1.194 58.474 1.00 0.00 H ATOM 575 H GLN A 81 18.644 -1.155 59.360 1.00 0.00 H ATOM 576 N PHE A 82 19.390 2.268 61.012 1.00 18.37 N ATOM 577 CA PHE A 82 20.107 2.654 62.239 1.00 17.47 C ATOM 578 C PHE A 82 19.230 3.596 63.063 1.00 15.87 C ATOM 579 O PHE A 82 18.813 4.653 62.498 1.00 20.52 O ATOM 580 CB PHE A 82 21.385 3.405 61.899 1.00 17.63 C ATOM 581 CG PHE A 82 22.437 2.620 61.172 1.00 17.91 C ATOM 582 CD1 PHE A 82 22.343 1.269 60.874 1.00 18.48 C ATOM 583 CD2 PHE A 82 23.604 3.281 60.813 1.00 20.23 C ATOM 584 CE1 PHE A 82 23.393 0.605 60.258 1.00 18.51 C ATOM 585 CE2 PHE A 82 24.673 2.625 60.205 1.00 22.32 C ATOM 586 CZ PHE A 82 24.584 1.265 59.905 1.00 20.27 C ATOM 587 H PHE A 82 19.279 2.980 60.262 1.00 0.00 H ATOM 588 N ILE A 83 18.793 3.203 64.270 1.00 16.58 N ATOM 589 CA ILE A 83 17.925 3.954 65.108 1.00 16.73 C ATOM 590 C ILE A 83 18.412 4.053 66.529 1.00 17.03 C ATOM 591 O ILE A 83 18.748 3.044 67.132 1.00 16.25 O ATOM 592 CB ILE A 83 16.479 3.375 65.113 1.00 17.33 C ATOM 593 CG1 ILE A 83 15.953 3.131 63.661 1.00 18.92 C ATOM 594 CG2 ILE A 83 15.510 4.261 65.941 1.00 18.72 C ATOM 595 CD1 ILE A 83 14.687 2.277 63.614 1.00 19.17 C ATOM 596 H ILE A 83 19.115 2.277 64.619 1.00 0.00 H ATOM 597 N SER A 84 18.500 5.260 67.088 1.00 18.39 N ATOM 598 CA SER A 84 18.977 5.388 68.442 1.00 17.48 C ATOM 599 C SER A 84 18.005 4.794 69.450 1.00 16.65 C ATOM 600 O SER A 84 16.774 4.860 69.281 1.00 18.54 O ATOM 601 CB SER A 84 19.146 6.887 68.819 1.00 19.91 C ATOM 602 OG SER A 84 20.114 7.420 67.946 1.00 24.97 O ATOM 603 HG SER A 84 19.802 7.325 67.011 1.00 0.00 H ATOM 604 H SER A 84 18.225 6.106 66.549 1.00 0.00 H ATOM 605 N ALA A 85 18.565 4.235 70.505 1.00 16.34 N ATOM 606 CA ALA A 85 17.781 3.886 71.663 1.00 16.10 C ATOM 607 C ALA A 85 17.309 5.109 72.430 1.00 17.40 C ATOM 608 O ALA A 85 18.135 5.989 72.703 1.00 22.91 O ATOM 609 CB ALA A 85 18.556 2.960 72.569 1.00 17.66 C ATOM 610 H ALA A 85 19.587 4.043 70.501 1.00 0.00 H ATOM 611 N SER A 86 16.011 5.211 72.712 1.00 16.96 N ATOM 612 CA SER A 86 15.477 6.293 73.525 1.00 18.22 C ATOM 613 C SER A 86 15.307 5.892 74.973 1.00 18.56 C ATOM 614 O SER A 86 15.392 6.735 75.855 1.00 18.63 O ATOM 615 CB SER A 86 14.156 6.831 72.969 1.00 20.77 C ATOM 616 OG SER A 86 13.217 5.775 72.920 1.00 25.07 O ATOM 617 HG SER A 86 13.561 5.056 72.332 1.00 0.00 H ATOM 618 H SER A 86 15.358 4.493 72.339 1.00 0.00 H ATOM 619 N LYS A 87 15.084 4.608 75.241 1.00 16.15 N ATOM 620 CA LYS A 87 14.902 4.139 76.577 1.00 15.59 C ATOM 621 C LYS A 87 15.581 2.763 76.700 1.00 14.53 C ATOM 622 O LYS A 87 15.566 1.966 75.762 1.00 16.29 O ATOM 623 CB LYS A 87 13.453 3.959 76.962 1.00 17.37 C ATOM 624 CG LYS A 87 12.634 5.230 76.852 1.00 19.38 C ATOM 625 CD LYS A 87 11.192 5.066 77.319 1.00 21.32 C ATOM 626 CE LYS A 87 10.440 6.369 77.063 1.00 22.42 C ATOM 627 NZ LYS A 87 9.074 6.289 77.656 1.00 24.52 N ATOM 628 HZ1 LYS A 87 8.554 5.500 77.221 1.00 0.00 H ATOM 629 HZ2 LYS A 87 9.151 6.132 78.681 1.00 0.00 H ATOM 630 HZ3 LYS A 87 8.567 7.180 77.478 1.00 0.00 H ATOM 631 H LYS A 87 15.041 3.927 74.456 1.00 0.00 H ATOM 632 N SER A 88 16.174 2.483 77.849 1.00 15.01 N ATOM 633 CA SER A 88 16.722 1.146 78.203 1.00 16.40 C ATOM 634 C SER A 88 16.202 0.793 79.560 1.00 16.78 C ATOM 635 O SER A 88 16.356 1.548 80.547 1.00 18.54 O ATOM 636 CB SER A 88 18.229 1.127 78.232 1.00 17.69 C ATOM 637 OG SER A 88 18.741 1.473 77.011 1.00 20.05 O ATOM 638 HG SER A 88 19.730 1.454 77.052 1.00 0.00 H ATOM 639 H SER A 88 16.263 3.246 78.550 1.00 0.00 H ATOM 640 N ILE A 89 15.582 -0.365 79.649 1.00 15.67 N ATOM 641 CA ILE A 89 14.920 -0.801 80.891 1.00 15.05 C ATOM 642 C ILE A 89 15.437 -2.200 81.272 1.00 15.03 C ATOM 643 O ILE A 89 15.021 -3.194 80.676 1.00 15.47 O ATOM 644 CB ILE A 89 13.406 -0.781 80.770 1.00 16.60 C ATOM 645 CG1 ILE A 89 12.915 0.622 80.443 1.00 16.89 C ATOM 646 CG2 ILE A 89 12.746 -1.292 82.051 1.00 18.09 C ATOM 647 CD1 ILE A 89 11.479 0.687 80.078 1.00 20.50 C ATOM 648 H ILE A 89 15.559 -0.990 78.818 1.00 0.00 H ATOM 649 N VAL A 90 16.335 -2.217 82.216 1.00 13.93 N ATOM 650 CA VAL A 90 16.909 -3.454 82.780 1.00 15.65 C ATOM 651 C VAL A 90 15.914 -4.073 83.745 1.00 15.06 C ATOM 652 O VAL A 90 15.162 -3.369 84.411 1.00 15.51 O ATOM 653 CB VAL A 90 18.221 -3.086 83.525 1.00 19.85 C ATOM 654 CG1 VAL A 90 18.725 -4.173 84.342 1.00 23.29 C ATOM 655 CG2 VAL A 90 19.241 -2.702 82.493 1.00 19.04 C ATOM 656 H VAL A 90 16.666 -1.306 82.594 1.00 0.00 H ATOM 657 N HIS A 91 15.866 -5.398 83.865 1.00 14.76 N ATOM 658 CA HIS A 91 14.970 -5.977 84.826 1.00 14.31 C ATOM 659 C HIS A 91 15.239 -5.415 86.217 1.00 13.54 C ATOM 660 O HIS A 91 16.372 -5.289 86.639 1.00 14.17 O ATOM 661 CB HIS A 91 15.132 -7.491 84.855 1.00 15.34 C ATOM 662 CG HIS A 91 14.011 -8.177 85.542 1.00 17.28 C ATOM 663 ND1 HIS A 91 13.912 -8.299 86.901 1.00 16.55 N ATOM 664 CD2 HIS A 91 12.824 -8.579 85.043 1.00 17.82 C ATOM 665 CE1 HIS A 91 12.748 -8.834 87.210 1.00 17.76 C ATOM 666 NE2 HIS A 91 12.084 -9.036 86.093 1.00 20.49 N ATOM 667 H HIS A 91 16.468 -6.004 83.272 1.00 0.00 H ATOM 668 N PRO A 92 14.198 -5.084 86.989 1.00 14.49 N ATOM 669 CA PRO A 92 14.382 -4.511 88.332 1.00 14.60 C ATOM 670 C PRO A 92 15.219 -5.342 89.307 1.00 14.03 C ATOM 671 O PRO A 92 15.851 -4.817 90.214 1.00 15.76 O ATOM 672 CB PRO A 92 12.967 -4.335 88.854 1.00 16.29 C ATOM 673 CG PRO A 92 12.154 -4.074 87.595 1.00 19.65 C ATOM 674 CD PRO A 92 12.778 -4.998 86.552 1.00 16.02 C ATOM 675 N SER A 93 15.243 -6.676 89.066 1.00 15.85 N ATOM 676 CA SER A 93 15.952 -7.617 89.922 1.00 15.37 C ATOM 677 C SER A 93 17.196 -8.235 89.278 1.00 15.76 C ATOM 678 O SER A 93 17.771 -9.198 89.781 1.00 16.21 O ATOM 679 CB SER A 93 14.984 -8.704 90.437 1.00 20.26 C ATOM 680 OG SER A 93 13.986 -8.084 91.210 1.00 25.26 O ATOM 681 HG SER A 93 13.357 -8.770 91.547 1.00 0.00 H ATOM 682 H SER A 93 14.734 -7.042 88.236 1.00 0.00 H ATOM 683 N TYR A 94 17.702 -7.604 88.221 1.00 13.92 N ATOM 684 CA TYR A 94 18.973 -7.961 87.638 1.00 13.58 C ATOM 685 C TYR A 94 20.039 -7.926 88.703 1.00 13.44 C ATOM 686 O TYR A 94 20.064 -7.053 89.578 1.00 16.56 O ATOM 687 CB TYR A 94 19.337 -6.975 86.541 1.00 13.61 C ATOM 688 CG TYR A 94 20.698 -7.165 85.997 1.00 13.49 C ATOM 689 CD1 TYR A 94 21.106 -8.365 85.441 1.00 12.96 C ATOM 690 CD2 TYR A 94 21.654 -6.137 86.027 1.00 15.57 C ATOM 691 CE1 TYR A 94 22.402 -8.557 84.936 1.00 14.06 C ATOM 692 CE2 TYR A 94 22.928 -6.345 85.549 1.00 15.56 C ATOM 693 CZ TYR A 94 23.295 -7.533 84.971 1.00 14.65 C ATOM 694 OH TYR A 94 24.571 -7.717 84.487 1.00 18.90 O ATOM 695 HH TYR A 94 24.754 -7.048 83.781 1.00 0.00 H ATOM 696 H TYR A 94 17.160 -6.823 87.799 1.00 0.00 H ATOM 697 N ASN A 95 20.926 -8.921 88.680 1.00 14.38 N ATOM 698 CA ASN A 95 22.054 -8.939 89.562 1.00 15.07 C ATOM 699 C ASN A 95 23.290 -9.175 88.697 1.00 15.46 C ATOM 700 O ASN A 95 23.410 -10.220 88.029 1.00 15.92 O ATOM 701 CB ASN A 95 21.887 -10.017 90.598 1.00 16.48 C ATOM 702 CG ASN A 95 23.015 -9.964 91.639 1.00 17.52 C ATOM 703 OD1 ASN A 95 24.184 -10.215 91.337 1.00 19.08 O ATOM 704 ND2 ASN A 95 22.667 -9.537 92.859 1.00 19.71 N ATOM 705 HD22 ASN A 95 21.670 -9.336 93.075 1.00 0.00 H ATOM 706 HD21 ASN A 95 23.394 -9.406 93.591 1.00 0.00 H ATOM 707 H ASN A 95 20.796 -9.702 88.006 1.00 0.00 H ATOM 708 N SER A 96 24.209 -8.228 88.681 1.00 16.23 N ATOM 709 CA SER A 96 25.368 -8.277 87.817 1.00 16.76 C ATOM 710 C SER A 96 26.455 -9.302 88.289 1.00 18.04 C ATOM 711 O SER A 96 27.410 -9.597 87.546 1.00 23.20 O ATOM 712 CB SER A 96 25.990 -6.905 87.727 1.00 18.45 C ATOM 713 OG SER A 96 26.500 -6.538 89.017 1.00 20.76 O ATOM 714 HG SER A 96 26.910 -5.638 88.965 1.00 0.00 H ATOM 715 H SER A 96 24.095 -7.412 89.316 1.00 0.00 H ATOM 716 N ASN A 97 26.298 -9.831 89.511 1.00 17.68 N ATOM 717 CA ASN A 97 27.211 -10.813 90.080 1.00 21.75 C ATOM 718 C ASN A 97 26.765 -12.225 89.683 1.00 19.92 C ATOM 719 O ASN A 97 27.567 -13.014 89.135 1.00 22.70 O ATOM 720 CB ASN A 97 27.333 -10.657 91.650 1.00 23.48 C ATOM 721 CG ASN A 97 28.575 -11.356 92.275 1.00 34.37 C ATOM 722 OD1 ASN A 97 28.995 -11.017 93.397 1.00 48.05 O ATOM 723 ND2 ASN A 97 29.148 -12.332 91.596 1.00 36.31 N ATOM 724 HD22 ASN A 97 28.781 -12.599 90.660 1.00 0.00 H ATOM 725 HD21 ASN A 97 29.966 -12.834 91.997 1.00 0.00 H ATOM 726 H ASN A 97 25.484 -9.525 90.081 1.00 0.00 H ATOM 727 N THR A 98 25.507 -12.535 89.958 1.00 16.39 N ATOM 728 CA THR A 98 24.942 -13.856 89.674 1.00 16.53 C ATOM 729 C THR A 98 24.414 -13.998 88.243 1.00 15.65 C ATOM 730 O THR A 98 24.154 -15.097 87.776 1.00 15.52 O ATOM 731 CB THR A 98 23.768 -14.168 90.604 1.00 17.24 C ATOM 732 OG1 THR A 98 22.710 -13.241 90.352 1.00 16.89 O ATOM 733 CG2 THR A 98 24.178 -14.098 92.085 1.00 20.94 C ATOM 734 HG1 THR A 98 21.948 -13.440 90.952 1.00 0.00 H ATOM 735 H THR A 98 24.897 -11.813 90.392 1.00 0.00 H ATOM 736 N LEU A 99 24.168 -12.867 87.578 1.00 14.53 N ATOM 737 CA LEU A 99 23.575 -12.831 86.282 1.00 13.73 C ATOM 738 C LEU A 99 22.082 -13.235 86.261 1.00 13.63 C ATOM 739 O LEU A 99 21.493 -13.432 85.227 1.00 14.17 O ATOM 740 CB LEU A 99 24.410 -13.491 85.166 1.00 15.46 C ATOM 741 CG LEU A 99 25.509 -12.677 84.560 1.00 14.52 C ATOM 742 CD1 LEU A 99 24.866 -11.601 83.716 1.00 21.31 C ATOM 743 CD2 LEU A 99 26.448 -12.051 85.493 1.00 20.42 C ATOM 744 H LEU A 99 24.422 -11.965 88.029 1.00 0.00 H ATOM 745 N ASN A 100 21.488 -13.331 87.447 1.00 13.36 N ATOM 746 CA ASN A 100 20.079 -13.586 87.500 1.00 14.01 C ATOM 747 C ASN A 100 19.278 -12.421 86.898 1.00 13.18 C ATOM 748 O ASN A 100 19.635 -11.233 87.072 1.00 15.68 O ATOM 749 CB ASN A 100 19.647 -13.848 88.947 1.00 14.98 C ATOM 750 CG ASN A 100 18.308 -14.522 89.073 1.00 15.93 C ATOM 751 OD1 ASN A 100 17.892 -15.274 88.223 1.00 16.49 O ATOM 752 ND2 ASN A 100 17.613 -14.213 90.124 1.00 20.93 N ATOM 753 HD22 ASN A 100 18.005 -13.562 90.834 1.00 0.00 H ATOM 754 HD21 ASN A 100 16.664 -14.616 90.257 1.00 0.00 H ATOM 755 H ASN A 100 22.038 -13.223 88.323 1.00 0.00 H ATOM 756 N ASN A 101 18.202 -12.727 86.215 1.00 12.95 N ATOM 757 CA ASN A 101 17.333 -11.749 85.566 1.00 13.74 C ATOM 758 C ASN A 101 18.093 -10.910 84.553 1.00 12.37 C ATOM 759 O ASN A 101 17.913 -9.686 84.482 1.00 12.83 O ATOM 760 CB ASN A 101 16.617 -10.881 86.611 1.00 14.38 C ATOM 761 CG ASN A 101 15.806 -11.673 87.583 1.00 15.12 C ATOM 762 OD1 ASN A 101 14.835 -12.342 87.186 1.00 17.42 O ATOM 763 ND2 ASN A 101 16.123 -11.535 88.863 1.00 17.30 N ATOM 764 HD22 ASN A 101 16.947 -10.963 89.136 1.00 0.00 H ATOM 765 HD21 ASN A 101 15.547 -11.999 89.594 1.00 0.00 H ATOM 766 H ASN A 101 17.950 -13.733 86.130 1.00 0.00 H ATOM 767 N ASP A 102 18.861 -11.577 83.697 1.00 12.63 N ATOM 768 CA ASP A 102 19.675 -10.922 82.672 1.00 12.24 C ATOM 769 C ASP A 102 18.852 -10.638 81.408 1.00 12.47 C ATOM 770 O ASP A 102 19.019 -11.210 80.365 1.00 12.57 O ATOM 771 CB ASP A 102 20.932 -11.731 82.380 1.00 12.15 C ATOM 772 CG ASP A 102 21.937 -10.976 81.566 1.00 11.44 C ATOM 773 OD1 ASP A 102 21.862 -9.723 81.494 1.00 12.11 O ATOM 774 OD2 ASP A 102 22.839 -11.627 80.929 1.00 13.18 O ATOM 775 H ASP A 102 18.885 -12.615 83.759 1.00 0.00 H ATOM 776 N ILE A 103 18.006 -9.602 81.546 1.00 12.86 N ATOM 777 CA ILE A 103 17.131 -9.172 80.460 1.00 13.26 C ATOM 778 C ILE A 103 16.966 -7.653 80.512 1.00 12.47 C ATOM 779 O ILE A 103 16.852 -7.071 81.612 1.00 13.31 O ATOM 780 CB ILE A 103 15.783 -9.930 80.500 1.00 13.41 C ATOM 781 CG1 ILE A 103 14.901 -9.564 79.321 1.00 14.28 C ATOM 782 CG2 ILE A 103 15.019 -9.719 81.781 1.00 13.90 C ATOM 783 CD1 ILE A 103 13.695 -10.495 79.154 1.00 17.69 C ATOM 784 H ILE A 103 17.974 -9.093 82.452 1.00 0.00 H ATOM 785 N MET A 104 16.892 -7.081 79.324 1.00 12.56 N ATOM 786 CA MET A 104 16.683 -5.642 79.142 1.00 13.17 C ATOM 787 C MET A 104 15.790 -5.430 77.950 1.00 12.42 C ATOM 788 O MET A 104 15.864 -6.118 76.932 1.00 13.69 O ATOM 789 CB MET A 104 18.070 -4.963 78.867 1.00 14.91 C ATOM 790 CG MET A 104 18.030 -3.522 78.543 1.00 16.69 C ATOM 791 SD MET A 104 19.701 -2.853 78.355 1.00 16.26 S ATOM 792 CE MET A 104 20.399 -3.662 76.960 1.00 15.49 C ATOM 793 H MET A 104 16.986 -7.679 78.479 1.00 0.00 H ATOM 794 N LEU A 105 14.976 -4.351 78.056 1.00 13.00 N ATOM 795 CA LEU A 105 14.184 -3.877 76.933 1.00 13.15 C ATOM 796 C LEU A 105 14.669 -2.528 76.450 1.00 11.98 C ATOM 797 O LEU A 105 14.939 -1.647 77.308 1.00 15.48 O ATOM 798 CB LEU A 105 12.720 -3.726 77.418 1.00 15.03 C ATOM 799 CG LEU A 105 11.995 -5.042 77.526 1.00 17.39 C ATOM 800 CD1 LEU A 105 10.726 -4.863 78.380 1.00 19.31 C ATOM 801 CD2 LEU A 105 11.602 -5.507 76.065 1.00 21.28 C ATOM 802 H LEU A 105 14.917 -3.849 78.965 1.00 0.00 H ATOM 803 N ILE A 106 14.881 -2.382 75.155 1.00 12.45 N ATOM 804 CA ILE A 106 15.319 -1.120 74.559 1.00 12.65 C ATOM 805 C ILE A 106 14.140 -0.586 73.710 1.00 14.44 C ATOM 806 O ILE A 106 13.625 -1.311 72.856 1.00 14.83 O ATOM 807 CB ILE A 106 16.555 -1.364 73.667 1.00 13.94 C ATOM 808 CG1 ILE A 106 17.788 -1.678 74.510 1.00 17.19 C ATOM 809 CG2 ILE A 106 16.850 -0.121 72.830 1.00 16.20 C ATOM 810 CD1 ILE A 106 18.994 -2.123 73.739 1.00 20.50 C ATOM 811 H ILE A 106 14.730 -3.200 74.531 1.00 0.00 H ATOM 812 N LYS A 107 13.783 0.687 73.910 1.00 15.09 N ATOM 813 CA LYS A 107 12.824 1.334 73.071 1.00 15.93 C ATOM 814 C LYS A 107 13.568 2.155 72.047 1.00 16.28 C ATOM 815 O LYS A 107 14.534 2.860 72.325 1.00 17.81 O ATOM 816 CB LYS A 107 11.908 2.236 73.876 1.00 17.05 C ATOM 817 CG LYS A 107 10.662 2.646 73.111 1.00 18.81 C ATOM 818 CD LYS A 107 9.799 3.646 73.844 1.00 19.60 C ATOM 819 CE LYS A 107 8.483 3.838 73.105 1.00 22.17 C ATOM 820 NZ LYS A 107 7.533 4.734 73.844 1.00 26.50 N ATOM 821 HZ1 LYS A 107 7.321 4.320 74.774 1.00 0.00 H ATOM 822 HZ2 LYS A 107 7.969 5.670 73.971 1.00 0.00 H ATOM 823 HZ3 LYS A 107 6.654 4.831 73.297 1.00 0.00 H ATOM 824 H LYS A 107 14.213 1.218 74.694 1.00 0.00 H ATOM 825 N LEU A 108 13.126 2.039 70.809 1.00 16.16 N ATOM 826 CA LEU A 108 13.656 2.793 69.687 1.00 16.75 C ATOM 827 C LEU A 108 13.092 4.206 69.630 1.00 18.15 C ATOM 828 O LEU A 108 11.917 4.398 69.903 1.00 19.99 O ATOM 829 CB LEU A 108 13.339 2.089 68.368 1.00 17.24 C ATOM 830 CG LEU A 108 13.881 0.636 68.282 1.00 17.63 C ATOM 831 CD1 LEU A 108 13.462 0.003 66.970 1.00 20.07 C ATOM 832 CD2 LEU A 108 15.375 0.502 68.477 1.00 19.80 C ATOM 833 H LEU A 108 12.353 1.368 70.626 1.00 0.00 H ATOM 834 N LYS A 109 13.933 5.187 69.279 1.00 19.14 N ATOM 835 CA LYS A 109 13.493 6.583 69.217 1.00 20.95 C ATOM 836 C LYS A 109 12.398 6.792 68.241 1.00 23.02 C ATOM 837 O LYS A 109 11.547 7.633 68.464 1.00 23.93 O ATOM 838 CB LYS A 109 14.680 7.473 68.912 1.00 19.94 C ATOM 839 CG LYS A 109 14.393 8.965 69.030 1.00 27.01 C ATOM 840 CD LYS A 109 15.627 9.787 68.719 1.00 31.05 C ATOM 841 CE LYS A 109 15.265 11.265 68.691 1.00 37.85 C ATOM 842 NZ LYS A 109 16.297 12.037 67.953 1.00 50.94 N ATOM 843 HZ1 LYS A 109 17.217 11.922 68.424 1.00 0.00 H ATOM 844 HZ2 LYS A 109 16.360 11.684 66.977 1.00 0.00 H ATOM 845 HZ3 LYS A 109 16.035 13.043 67.943 1.00 0.00 H ATOM 846 H LYS A 109 14.919 4.953 69.046 1.00 0.00 H ATOM 847 N SER A 110 12.459 6.076 67.122 1.00 21.26 N ATOM 848 CA SER A 110 11.409 6.033 66.172 1.00 24.62 C ATOM 849 C SER A 110 11.135 4.598 65.807 1.00 23.81 C ATOM 850 O SER A 110 12.026 3.738 65.869 1.00 22.99 O ATOM 851 CB SER A 110 11.808 6.843 64.957 1.00 23.62 C ATOM 852 OG SER A 110 12.959 6.338 64.336 1.00 28.08 O ATOM 853 HG SER A 110 12.793 5.407 64.044 1.00 0.00 H ATOM 854 H SER A 110 13.319 5.521 66.935 1.00 0.00 H ATOM 855 N ALA A 111 9.930 4.299 65.383 1.00 25.29 N ATOM 856 CA ALA A 111 9.574 2.954 64.983 1.00 24.24 C ATOM 857 C ALA A 111 10.349 2.478 63.763 1.00 21.30 C ATOM 858 O ALA A 111 10.490 3.204 62.806 1.00 25.51 O ATOM 859 CB ALA A 111 8.079 2.867 64.723 1.00 25.58 C ATOM 860 H ALA A 111 9.211 5.049 65.333 1.00 0.00 H ATOM 861 N ALA A 112 10.817 1.230 63.786 1.00 21.71 N ATOM 862 CA ALA A 112 11.418 0.648 62.620 1.00 21.75 C ATOM 863 C ALA A 112 10.388 0.454 61.535 1.00 23.60 C ATOM 864 O ALA A 112 9.204 0.261 61.816 1.00 24.59 O ATOM 865 CB ALA A 112 11.973 -0.725 62.976 1.00 24.87 C ATOM 866 H ALA A 112 10.746 0.671 64.660 1.00 0.00 H ATOM 867 N SER A 113 10.834 0.510 60.288 1.00 22.80 N ATOM 868 CA SER A 113 9.987 0.183 59.133 1.00 26.41 C ATOM 869 C SER A 113 10.101 -1.315 58.940 1.00 21.41 C ATOM 870 O SER A 113 11.186 -1.847 58.517 1.00 25.60 O ATOM 871 CB SER A 113 10.530 0.924 57.904 1.00 28.08 C ATOM 872 OG SER A 113 10.239 2.266 58.014 1.00 42.00 O ATOM 873 HG SER A 113 10.589 2.744 57.221 1.00 0.00 H ATOM 874 H SER A 113 11.820 0.796 60.121 1.00 0.00 H ATOM 875 N LEU A 114 9.003 -2.030 59.218 1.00 23.79 N ATOM 876 CA LEU A 114 9.012 -3.464 59.135 1.00 22.87 C ATOM 877 C LEU A 114 8.889 -3.873 57.701 1.00 23.75 C ATOM 878 O LEU A 114 8.103 -3.299 56.910 1.00 29.03 O ATOM 879 CB LEU A 114 7.876 -4.084 59.969 1.00 24.72 C ATOM 880 CG LEU A 114 7.785 -3.742 61.459 1.00 25.55 C ATOM 881 CD1 LEU A 114 6.589 -4.443 62.049 1.00 35.54 C ATOM 882 CD2 LEU A 114 9.022 -4.179 62.217 1.00 26.80 C ATOM 883 H LEU A 114 8.130 -1.539 59.498 1.00 0.00 H ATOM 884 N ASN A 115 9.656 -4.875 57.338 1.00 23.42 N ATOM 885 CA ASN A 115 9.736 -5.397 55.984 1.00 23.68 C ATOM 886 C ASN A 115 10.322 -6.789 55.977 1.00 25.28 C ATOM 887 O ASN A 115 10.484 -7.391 57.059 1.00 27.54 O ATOM 888 CB ASN A 115 10.491 -4.406 55.085 1.00 24.94 C ATOM 889 CG ASN A 115 11.954 -4.199 55.510 1.00 26.77 C ATOM 890 OD1 ASN A 115 12.686 -5.150 55.744 1.00 24.48 O ATOM 891 ND2 ASN A 115 12.394 -2.962 55.490 1.00 27.53 N ATOM 892 HD22 ASN A 115 11.739 -2.180 55.287 1.00 0.00 H ATOM 893 HD21 ASN A 115 13.398 -2.764 55.677 1.00 0.00 H ATOM 894 H ASN A 115 10.245 -5.325 58.068 1.00 0.00 H ATOM 895 N SER A 116 10.638 -7.341 54.807 1.00 25.78 N ATOM 896 CA SER A 116 11.109 -8.750 54.786 1.00 28.56 C ATOM 897 C SER A 116 12.451 -8.918 55.511 1.00 30.10 C ATOM 898 O SER A 116 12.799 -10.022 55.908 1.00 31.26 O ATOM 899 CB SER A 116 11.223 -9.293 53.337 1.00 28.52 C ATOM 900 OG SER A 116 12.258 -8.615 52.609 1.00 31.16 O ATOM 901 HG SER A 116 12.052 -7.647 52.569 1.00 0.00 H ATOM 902 H SER A 116 10.557 -6.796 53.925 1.00 0.00 H ATOM 903 N ARG A 117 13.206 -7.844 55.638 1.00 24.65 N ATOM 904 CA ARG A 117 14.534 -7.915 56.289 1.00 26.21 C ATOM 905 C ARG A 117 14.574 -7.392 57.706 1.00 21.72 C ATOM 906 O ARG A 117 15.605 -7.481 58.359 1.00 23.36 O ATOM 907 CB ARG A 117 15.529 -7.152 55.408 1.00 24.50 C ATOM 908 CG ARG A 117 15.583 -7.761 54.014 1.00 29.21 C ATOM 909 CD ARG A 117 16.369 -6.918 53.079 1.00 41.84 C ATOM 910 NE ARG A 117 16.425 -7.504 51.740 1.00 47.94 N ATOM 911 CZ ARG A 117 15.559 -7.259 50.761 1.00 44.71 C ATOM 912 NH1 ARG A 117 15.734 -7.844 49.590 1.00 53.40 N ATOM 913 NH2 ARG A 117 14.535 -6.419 50.930 1.00 54.70 N ATOM 914 HE ARG A 117 17.203 -8.164 51.538 1.00 0.00 H ATOM 915 HH12 ARG A 117 15.066 -7.663 48.814 1.00 0.00 H ATOM 916 HH11 ARG A 117 16.540 -8.485 49.444 1.00 0.00 H ATOM 917 HH22 ARG A 117 13.871 -6.244 50.149 1.00 0.00 H ATOM 918 HH21 ARG A 117 14.401 -5.939 51.843 1.00 0.00 H ATOM 919 H ARG A 117 12.863 -6.932 55.275 1.00 0.00 H ATOM 920 N VAL A 118 13.461 -6.844 58.170 1.00 21.47 N ATOM 921 CA VAL A 118 13.351 -6.222 59.506 1.00 19.74 C ATOM 922 C VAL A 118 11.999 -6.651 60.019 1.00 20.95 C ATOM 923 O VAL A 118 10.923 -6.120 59.646 1.00 21.47 O ATOM 924 CB VAL A 118 13.456 -4.708 59.460 1.00 22.07 C ATOM 925 CG1 VAL A 118 13.287 -4.105 60.881 1.00 23.04 C ATOM 926 CG2 VAL A 118 14.813 -4.301 58.904 1.00 22.30 C ATOM 927 H VAL A 118 12.618 -6.852 57.561 1.00 0.00 H ATOM 928 N ALA A 119 12.017 -7.632 60.887 1.00 20.14 N ATOM 929 CA ALA A 119 10.773 -8.276 61.307 1.00 19.12 C ATOM 930 C ALA A 119 10.846 -8.670 62.774 1.00 18.60 C ATOM 931 O ALA A 119 11.925 -8.969 63.294 1.00 19.79 O ATOM 932 CB ALA A 119 10.486 -9.511 60.457 1.00 19.90 C ATOM 933 H ALA A 119 12.924 -7.956 61.281 1.00 0.00 H ATOM 934 N SER A 120 9.705 -8.669 63.453 1.00 18.68 N ATOM 935 CA SER A 120 9.609 -9.074 64.831 1.00 18.49 C ATOM 936 C SER A 120 9.633 -10.589 65.036 1.00 17.99 C ATOM 937 O SER A 120 9.169 -11.336 64.159 1.00 21.04 O ATOM 938 CB SER A 120 8.431 -8.475 65.555 1.00 26.81 C ATOM 939 OG SER A 120 8.357 -7.103 65.335 1.00 31.27 O ATOM 940 HG SER A 120 7.577 -6.734 65.820 1.00 0.00 H ATOM 941 H SER A 120 8.839 -8.361 62.966 1.00 0.00 H ATOM 942 N ILE A 121 10.145 -11.024 66.183 1.00 17.06 N ATOM 943 CA ILE A 121 9.998 -12.397 66.696 1.00 16.72 C ATOM 944 C ILE A 121 8.971 -12.437 67.791 1.00 16.11 C ATOM 945 O ILE A 121 8.933 -11.621 68.695 1.00 18.01 O ATOM 946 CB ILE A 121 11.389 -12.932 67.148 1.00 15.84 C ATOM 947 CG1 ILE A 121 11.347 -14.429 67.403 1.00 17.17 C ATOM 948 CG2 ILE A 121 11.963 -12.206 68.338 1.00 17.10 C ATOM 949 CD1 ILE A 121 11.128 -15.225 66.162 1.00 21.14 C ATOM 950 H ILE A 121 10.687 -10.348 66.758 1.00 0.00 H ATOM 951 N SER A 122 8.108 -13.472 67.729 1.00 19.34 N ATOM 952 CA SER A 122 7.086 -13.644 68.713 1.00 19.02 C ATOM 953 C SER A 122 7.658 -14.108 70.079 1.00 17.38 C ATOM 954 O SER A 122 8.619 -14.886 70.159 1.00 18.65 O ATOM 955 CB SER A 122 6.072 -14.741 68.207 1.00 23.32 C ATOM 956 OG SER A 122 5.431 -14.243 67.062 1.00 28.34 O ATOM 957 HG SER A 122 6.106 -14.053 66.364 1.00 0.00 H ATOM 958 H SER A 122 8.188 -14.157 66.951 1.00 0.00 H ATOM 959 N LEU A 123 7.040 -13.638 71.166 1.00 17.66 N ATOM 960 CA LEU A 123 7.310 -14.110 72.486 1.00 17.30 C ATOM 961 C LEU A 123 6.674 -15.470 72.687 1.00 21.29 C ATOM 962 O LEU A 123 5.666 -15.812 71.993 1.00 25.49 O ATOM 963 CB LEU A 123 6.814 -13.133 73.567 1.00 21.00 C ATOM 964 CG LEU A 123 7.474 -11.750 73.498 1.00 20.77 C ATOM 965 CD1 LEU A 123 6.795 -10.807 74.452 1.00 24.81 C ATOM 966 CD2 LEU A 123 8.967 -11.840 73.843 1.00 19.35 C ATOM 967 H LEU A 123 6.327 -12.891 71.045 1.00 0.00 H ATOM 968 N PRO A 124 7.191 -16.232 73.643 1.00 20.36 N ATOM 969 CA PRO A 124 6.596 -17.543 73.956 1.00 24.97 C ATOM 970 C PRO A 124 5.276 -17.477 74.670 1.00 25.32 C ATOM 971 O PRO A 124 5.039 -16.623 75.454 1.00 25.10 O ATOM 972 CB PRO A 124 7.685 -18.238 74.776 1.00 27.27 C ATOM 973 CG PRO A 124 8.631 -17.205 75.266 1.00 26.89 C ATOM 974 CD PRO A 124 8.401 -15.960 74.451 1.00 20.35 C ATOM 975 N THR A 125 4.463 -18.499 74.456 1.00 27.57 N ATOM 976 CA THR A 125 3.222 -18.704 75.233 1.00 31.99 C ATOM 977 C THR A 125 3.387 -19.716 76.356 1.00 30.55 C ATOM 978 O THR A 125 2.692 -19.720 77.387 1.00 39.83 O ATOM 979 CB THR A 125 2.062 -19.098 74.309 1.00 35.30 C ATOM 980 OG1 THR A 125 2.465 -20.153 73.402 1.00 46.47 O ATOM 981 CG2 THR A 125 1.667 -17.918 73.511 1.00 32.42 C ATOM 982 HG1 THR A 125 1.704 -20.392 72.816 1.00 0.00 H ATOM 983 H THR A 125 4.706 -19.184 73.713 1.00 0.00 H ATOM 984 N SER A 127 4.548 -20.666 76.168 1.00 31.16 N ATOM 985 CA SER A 127 4.916 -21.549 77.248 1.00 28.74 C ATOM 986 C SER A 127 6.431 -21.696 77.185 1.00 27.02 C ATOM 987 O SER A 127 7.057 -21.341 76.202 1.00 27.99 O ATOM 988 CB SER A 127 4.197 -22.894 77.126 1.00 31.98 C ATOM 989 OG SER A 127 4.557 -23.545 75.951 1.00 34.27 O ATOM 990 HG SER A 127 4.080 -24.411 75.895 1.00 0.00 H ATOM 991 H SER A 127 5.075 -20.683 75.271 1.00 0.00 H ATOM 992 N CYS A 128 6.976 -22.271 78.223 1.00 28.37 N ATOM 993 CA CYS A 128 8.418 -22.522 78.263 1.00 30.64 C ATOM 994 C CYS A 128 8.756 -23.693 77.325 1.00 30.41 C ATOM 995 O CYS A 128 7.950 -24.604 77.087 1.00 38.53 O ATOM 996 CB CYS A 128 8.849 -22.808 79.702 1.00 33.14 C ATOM 997 SG CYS A 128 8.664 -21.357 80.766 1.00 29.39 S ATOM 998 H CYS A 128 6.381 -22.553 79.028 1.00 0.00 H ATOM 999 N ALA A 129 9.969 -23.684 76.772 1.00 26.52 N ATOM 1000 CA ALA A 129 10.385 -24.768 75.894 1.00 24.07 C ATOM 1001 C ALA A 129 10.914 -25.916 76.765 1.00 28.97 C ATOM 1002 O ALA A 129 11.189 -25.727 77.956 1.00 28.96 O ATOM 1003 CB ALA A 129 11.487 -24.358 74.941 1.00 25.14 C ATOM 1004 H ALA A 129 10.621 -22.898 76.969 1.00 0.00 H ATOM 1005 N SER A 130 11.043 -27.077 76.123 1.00 27.33 N ATOM 1006 CA SER A 130 11.539 -28.322 76.734 1.00 28.26 C ATOM 1007 C SER A 130 12.964 -28.593 76.318 1.00 19.43 C ATOM 1008 O SER A 130 13.364 -28.441 75.173 1.00 18.89 O ATOM 1009 CB SER A 130 10.588 -29.502 76.368 1.00 39.26 C ATOM 1010 OG SER A 130 10.930 -30.325 75.166 1.00 55.50 O ATOM 1011 HG SER A 130 10.249 -31.034 75.049 1.00 0.00 H ATOM 1012 H SER A 130 10.774 -27.106 75.119 1.00 0.00 H ATOM 1013 N ALA A 132 13.612 -29.432 77.345 1.00 21.80 N ATOM 1014 CA ALA A 132 14.875 -29.997 76.977 1.00 19.78 C ATOM 1015 C ALA A 132 14.789 -30.816 75.681 1.00 18.00 C ATOM 1016 O ALA A 132 13.748 -31.474 75.408 1.00 19.83 O ATOM 1017 CB ALA A 132 15.391 -30.838 78.101 1.00 20.02 C ATOM 1018 H ALA A 132 13.179 -29.602 78.275 1.00 0.00 H ATOM 1019 N GLY A 133 15.838 -30.775 74.888 1.00 18.01 N ATOM 1020 CA GLY A 133 15.938 -31.495 73.612 1.00 18.04 C ATOM 1021 C GLY A 133 15.361 -30.828 72.377 1.00 17.46 C ATOM 1022 O GLY A 133 15.585 -31.257 71.306 1.00 21.49 O ATOM 1023 H GLY A 133 16.649 -30.195 75.184 1.00 0.00 H ATOM 1024 N THR A 134 14.680 -29.698 72.593 1.00 21.32 N ATOM 1025 CA THR A 134 14.171 -28.894 71.502 1.00 21.51 C ATOM 1026 C THR A 134 15.359 -28.167 70.858 1.00 20.77 C ATOM 1027 O THR A 134 16.245 -27.638 71.558 1.00 19.52 O ATOM 1028 CB THR A 134 13.137 -27.890 72.025 1.00 24.79 C ATOM 1029 OG1 THR A 134 11.960 -28.592 72.435 1.00 24.93 O ATOM 1030 CG2 THR A 134 12.730 -26.951 70.966 1.00 24.12 C ATOM 1031 HG1 THR A 134 11.584 -29.083 71.662 1.00 0.00 H ATOM 1032 H THR A 134 14.511 -29.388 73.571 1.00 0.00 H ATOM 1033 N GLN A 135 15.488 -28.272 69.563 1.00 23.01 N ATOM 1034 CA GLN A 135 16.525 -27.605 68.806 1.00 23.62 C ATOM 1035 C GLN A 135 16.067 -26.196 68.562 1.00 25.14 C ATOM 1036 O GLN A 135 14.964 -25.874 68.220 1.00 72.53 O ATOM 1037 CB GLN A 135 16.805 -28.301 67.458 1.00 28.32 C ATOM 1038 CG GLN A 135 17.777 -29.483 67.423 1.00 37.34 C ATOM 1039 CD GLN A 135 19.259 -29.139 67.735 1.00 38.01 C ATOM 1040 OE1 GLN A 135 19.555 -29.026 68.859 1.00 48.47 O ATOM 1041 NE2 GLN A 135 20.179 -29.094 66.737 1.00 39.31 N ATOM 1042 HE22 GLN A 135 19.878 -29.198 65.747 1.00 0.00 H ATOM 1043 HE21 GLN A 135 21.185 -28.955 66.963 1.00 0.00 H ATOM 1044 H GLN A 135 14.809 -28.867 69.048 1.00 0.00 H ATOM 1045 N CYS A 136 17.058 -25.322 68.866 1.00 18.49 N ATOM 1046 CA CYS A 136 16.872 -23.915 68.730 1.00 17.90 C ATOM 1047 C CYS A 136 17.956 -23.290 67.789 1.00 16.37 C ATOM 1048 O CYS A 136 19.027 -23.850 67.552 1.00 17.09 O ATOM 1049 CB CYS A 136 16.905 -23.232 70.093 1.00 17.01 C ATOM 1050 SG CYS A 136 15.759 -23.967 71.261 1.00 21.88 S ATOM 1051 H CYS A 136 17.972 -25.685 69.205 1.00 0.00 H ATOM 1052 N LEU A 137 17.601 -22.111 67.270 1.00 14.32 N ATOM 1053 CA LEU A 137 18.518 -21.307 66.433 1.00 14.06 C ATOM 1054 C LEU A 137 19.071 -20.111 67.231 1.00 12.38 C ATOM 1055 O LEU A 137 18.330 -19.277 67.715 1.00 13.67 O ATOM 1056 CB LEU A 137 17.837 -20.779 65.223 1.00 15.69 C ATOM 1057 CG LEU A 137 18.712 -19.980 64.238 1.00 15.36 C ATOM 1058 CD1 LEU A 137 19.684 -20.869 63.520 1.00 18.98 C ATOM 1059 CD2 LEU A 137 17.854 -19.239 63.225 1.00 19.39 C ATOM 1060 H LEU A 137 16.646 -21.746 67.461 1.00 0.00 H ATOM 1061 N ILE A 138 20.391 -20.141 67.380 1.00 12.12 N ATOM 1062 CA ILE A 138 21.145 -19.124 68.071 1.00 11.84 C ATOM 1063 C ILE A 138 21.968 -18.360 67.006 1.00 12.57 C ATOM 1064 O ILE A 138 22.605 -18.986 66.181 1.00 13.34 O ATOM 1065 CB ILE A 138 22.041 -19.765 69.147 1.00 11.96 C ATOM 1066 CG1 ILE A 138 21.256 -20.737 70.007 1.00 13.73 C ATOM 1067 CG2 ILE A 138 22.692 -18.658 70.003 1.00 13.82 C ATOM 1068 CD1 ILE A 138 21.981 -21.428 71.087 1.00 16.17 C ATOM 1069 H ILE A 138 20.911 -20.945 66.974 1.00 0.00 H ATOM 1070 N SER A 139 22.045 -17.052 67.101 1.00 11.78 N ATOM 1071 CA SER A 139 22.713 -16.281 66.075 1.00 11.54 C ATOM 1072 C SER A 139 23.447 -15.086 66.679 1.00 11.79 C ATOM 1073 O SER A 139 23.092 -14.603 67.742 1.00 11.15 O ATOM 1074 CB SER A 139 21.668 -15.830 65.006 1.00 13.53 C ATOM 1075 OG SER A 139 20.538 -15.258 65.560 1.00 13.57 O ATOM 1076 HG SER A 139 20.095 -15.914 66.155 1.00 0.00 H ATOM 1077 H SER A 139 21.623 -16.568 67.919 1.00 0.00 H ATOM 1078 N GLY A 140 24.414 -14.591 65.923 1.00 11.53 N ATOM 1079 CA GLY A 140 25.162 -13.383 66.306 1.00 11.33 C ATOM 1080 C GLY A 140 26.424 -13.211 65.507 1.00 11.62 C ATOM 1081 O GLY A 140 26.867 -14.028 64.706 1.00 12.06 O ATOM 1082 H GLY A 140 24.652 -15.070 65.031 1.00 0.00 H ATOM 1083 N TRP A 141 27.062 -12.076 65.856 1.00 11.50 N ATOM 1084 CA TRP A 141 28.317 -11.639 65.267 1.00 12.43 C ATOM 1085 C TRP A 141 29.481 -11.872 66.193 1.00 11.54 C ATOM 1086 O TRP A 141 30.545 -11.234 66.042 1.00 12.91 O ATOM 1087 CB TRP A 141 28.230 -10.189 64.803 1.00 11.64 C ATOM 1088 CG TRP A 141 27.345 -9.931 63.657 1.00 12.85 C ATOM 1089 CD1 TRP A 141 27.706 -10.030 62.352 1.00 13.85 C ATOM 1090 CD2 TRP A 141 26.003 -9.479 63.678 1.00 13.06 C ATOM 1091 NE1 TRP A 141 26.658 -9.724 61.545 1.00 13.70 N ATOM 1092 CE2 TRP A 141 25.585 -9.373 62.343 1.00 12.86 C ATOM 1093 CE3 TRP A 141 25.084 -9.195 64.683 1.00 12.44 C ATOM 1094 CZ2 TRP A 141 24.283 -8.919 62.018 1.00 13.85 C ATOM 1095 CZ3 TRP A 141 23.828 -8.752 64.350 1.00 12.55 C ATOM 1096 CH2 TRP A 141 23.466 -8.576 63.024 1.00 12.84 C ATOM 1097 HE1 TRP A 141 26.662 -9.749 60.505 1.00 0.00 H ATOM 1098 H TRP A 141 26.631 -11.478 66.590 1.00 0.00 H ATOM 1099 N GLY A 142 29.396 -12.739 67.193 1.00 12.06 N ATOM 1100 CA GLY A 142 30.447 -12.974 68.146 1.00 11.43 C ATOM 1101 C GLY A 142 31.585 -13.826 67.613 1.00 12.76 C ATOM 1102 O GLY A 142 31.639 -14.251 66.487 1.00 13.13 O ATOM 1103 H GLY A 142 28.515 -13.282 67.294 1.00 0.00 H ATOM 1104 N ASN A 143 32.541 -14.052 68.520 1.00 12.65 N ATOM 1105 CA ASN A 143 33.790 -14.765 68.228 1.00 13.50 C ATOM 1106 C ASN A 143 33.421 -16.157 67.670 1.00 12.57 C ATOM 1107 O ASN A 143 32.510 -16.848 68.195 1.00 13.74 O ATOM 1108 CB ASN A 143 34.607 -14.854 69.501 1.00 13.04 C ATOM 1109 CG ASN A 143 36.002 -15.373 69.347 1.00 15.21 C ATOM 1110 OD1 ASN A 143 36.484 -15.711 68.247 1.00 15.71 O ATOM 1111 ND2 ASN A 143 36.684 -15.416 70.476 1.00 18.16 N ATOM 1112 HD22 ASN A 143 36.234 -15.123 71.367 1.00 0.00 H ATOM 1113 HD21 ASN A 143 37.671 -15.743 70.475 1.00 0.00 H ATOM 1114 H ASN A 143 32.391 -13.702 69.488 1.00 0.00 H ATOM 1115 N THR A 144 34.178 -16.626 66.668 1.00 13.45 N ATOM 1116 CA THR A 144 33.967 -17.916 66.015 1.00 14.56 C ATOM 1117 C THR A 144 35.035 -18.912 66.465 1.00 15.66 C ATOM 1118 O THR A 144 34.998 -20.086 66.007 1.00 16.67 O ATOM 1119 CB THR A 144 33.953 -17.802 64.491 1.00 17.38 C ATOM 1120 OG1 THR A 144 35.248 -17.366 64.048 1.00 18.51 O ATOM 1121 CG2 THR A 144 32.899 -16.845 64.002 1.00 16.83 C ATOM 1122 HG1 THR A 144 35.453 -16.485 64.449 1.00 0.00 H ATOM 1123 H THR A 144 34.965 -16.034 66.334 1.00 0.00 H ATOM 1124 N LYS A 145 35.944 -18.555 67.369 1.00 16.23 N ATOM 1125 CA LYS A 145 36.947 -19.486 67.882 1.00 17.15 C ATOM 1126 C LYS A 145 36.777 -19.775 69.339 1.00 18.67 C ATOM 1127 O LYS A 145 36.498 -18.871 70.142 1.00 20.59 O ATOM 1128 CB LYS A 145 38.372 -18.959 67.656 1.00 21.98 C ATOM 1129 CG LYS A 145 38.773 -19.065 66.185 1.00 26.49 C ATOM 1130 CD LYS A 145 40.032 -18.267 65.768 1.00 38.91 C ATOM 1131 CE LYS A 145 41.313 -18.684 66.465 1.00 45.57 C ATOM 1132 NZ LYS A 145 42.541 -18.240 65.725 1.00 67.80 N ATOM 1133 HZ1 LYS A 145 42.542 -18.660 64.774 1.00 0.00 H ATOM 1134 HZ2 LYS A 145 42.541 -17.203 65.647 1.00 0.00 H ATOM 1135 HZ3 LYS A 145 43.388 -18.550 66.243 1.00 0.00 H ATOM 1136 H LYS A 145 35.941 -17.577 67.724 1.00 0.00 H ATOM 1137 N SER A 146 36.996 -21.043 69.703 1.00 20.40 N ATOM 1138 CA SER A 146 36.997 -21.465 71.088 1.00 22.06 C ATOM 1139 C SER A 146 38.304 -21.142 71.815 1.00 23.12 C ATOM 1140 O SER A 146 38.357 -21.161 73.056 1.00 26.47 O ATOM 1141 CB SER A 146 36.759 -22.951 71.188 1.00 23.50 C ATOM 1142 OG SER A 146 37.804 -23.647 70.649 1.00 27.45 O ATOM 1143 HG SER A 146 37.905 -23.403 69.695 1.00 0.00 H ATOM 1144 H SER A 146 37.172 -21.753 68.963 1.00 0.00 H ATOM 1145 N SER A 147 39.352 -20.890 71.039 1.00 23.90 N ATOM 1146 CA SER A 147 40.621 -20.473 71.560 1.00 27.65 C ATOM 1147 C SER A 147 41.101 -19.336 70.655 1.00 24.01 C ATOM 1148 O SER A 147 41.148 -19.487 69.438 1.00 30.27 O ATOM 1149 CB SER A 147 41.634 -21.634 71.578 1.00 31.06 C ATOM 1150 OG SER A 147 42.902 -21.145 71.916 1.00 41.71 O ATOM 1151 HG SER A 147 43.551 -21.893 71.927 1.00 0.00 H ATOM 1152 H SER A 147 39.248 -21.000 70.010 1.00 0.00 H ATOM 1153 N GLY A 148 41.466 -18.204 71.229 1.00 27.96 N ATOM 1154 CA GLY A 148 41.834 -17.050 70.417 1.00 26.41 C ATOM 1155 C GLY A 148 40.615 -16.327 69.933 1.00 24.80 C ATOM 1156 O GLY A 148 39.507 -16.531 70.461 1.00 21.75 O ATOM 1157 H GLY A 148 41.491 -18.135 72.266 1.00 0.00 H ATOM 1158 N THR A 149 40.791 -15.517 68.891 1.00 23.90 N ATOM 1159 CA THR A 149 39.730 -14.646 68.426 1.00 22.83 C ATOM 1160 C THR A 149 39.680 -14.568 66.907 1.00 23.59 C ATOM 1161 O THR A 149 40.676 -14.428 66.214 1.00 26.69 O ATOM 1162 CB THR A 149 39.747 -13.212 68.976 1.00 23.06 C ATOM 1163 OG1 THR A 149 40.932 -12.558 68.578 1.00 28.85 O ATOM 1164 CG2 THR A 149 39.534 -13.151 70.526 1.00 25.39 C ATOM 1165 HG1 THR A 149 40.976 -12.529 67.589 1.00 0.00 H ATOM 1166 H THR A 149 41.708 -15.509 68.401 1.00 0.00 H ATOM 1167 N SER A 150 38.460 -14.674 66.394 1.00 19.95 N ATOM 1168 CA SER A 150 38.149 -14.405 64.990 1.00 20.47 C ATOM 1169 C SER A 150 36.748 -13.910 64.935 1.00 18.85 C ATOM 1170 O SER A 150 35.791 -14.648 65.267 1.00 22.62 O ATOM 1171 CB SER A 150 38.339 -15.642 64.131 1.00 25.52 C ATOM 1172 OG SER A 150 38.048 -15.297 62.767 1.00 29.27 O ATOM 1173 HG SER A 150 37.113 -14.979 62.701 1.00 0.00 H ATOM 1174 H SER A 150 37.684 -14.964 67.024 1.00 0.00 H ATOM 1175 N TYR A 151 36.581 -12.675 64.530 1.00 18.74 N ATOM 1176 CA TYR A 151 35.277 -12.016 64.481 1.00 17.12 C ATOM 1177 C TYR A 151 34.765 -11.862 63.083 1.00 18.14 C ATOM 1178 O TYR A 151 35.445 -11.348 62.197 1.00 20.92 O ATOM 1179 CB TYR A 151 35.284 -10.677 65.209 1.00 16.86 C ATOM 1180 CG TYR A 151 35.402 -10.894 66.717 1.00 18.05 C ATOM 1181 CD1 TYR A 151 34.247 -11.158 67.439 1.00 20.23 C ATOM 1182 CD2 TYR A 151 36.588 -10.902 67.382 1.00 21.09 C ATOM 1183 CE1 TYR A 151 34.259 -11.388 68.777 1.00 19.21 C ATOM 1184 CE2 TYR A 151 36.601 -11.102 68.781 1.00 18.96 C ATOM 1185 CZ TYR A 151 35.430 -11.370 69.445 1.00 19.14 C ATOM 1186 OH TYR A 151 35.411 -11.631 70.813 1.00 23.17 O ATOM 1187 HH TYR A 151 35.774 -10.850 71.302 1.00 0.00 H ATOM 1188 H TYR A 151 37.418 -12.137 64.228 1.00 0.00 H ATOM 1189 N PRO A 152 33.555 -12.351 62.837 1.00 16.67 N ATOM 1190 CA PRO A 152 33.027 -12.354 61.488 1.00 17.24 C ATOM 1191 C PRO A 152 32.458 -11.001 61.085 1.00 16.86 C ATOM 1192 O PRO A 152 32.051 -10.167 61.921 1.00 19.89 O ATOM 1193 CB PRO A 152 31.918 -13.428 61.548 1.00 16.91 C ATOM 1194 CG PRO A 152 31.397 -13.201 62.961 1.00 17.14 C ATOM 1195 CD PRO A 152 32.601 -12.942 63.819 1.00 15.89 C ATOM 1196 N ASP A 153 32.431 -10.761 59.775 1.00 17.55 N ATOM 1197 CA ASP A 153 31.711 -9.661 59.191 1.00 18.97 C ATOM 1198 C ASP A 153 30.206 -9.942 59.083 1.00 18.09 C ATOM 1199 O ASP A 153 29.391 -9.088 59.381 1.00 17.29 O ATOM 1200 CB ASP A 153 32.214 -9.286 57.798 1.00 23.11 C ATOM 1201 CG ASP A 153 33.613 -8.796 57.785 1.00 26.25 C ATOM 1202 OD1 ASP A 153 33.894 -7.963 58.643 1.00 26.80 O ATOM 1203 OD2 ASP A 153 34.380 -9.213 56.874 1.00 34.40 O ATOM 1204 H ASP A 153 32.956 -11.400 59.144 1.00 0.00 H ATOM 1205 N VAL A 154 29.846 -11.165 58.707 1.00 17.83 N ATOM 1206 CA VAL A 154 28.452 -11.526 58.490 1.00 17.32 C ATOM 1207 C VAL A 154 27.864 -12.340 59.609 1.00 15.38 C ATOM 1208 O VAL A 154 28.605 -12.921 60.431 1.00 16.07 O ATOM 1209 CB VAL A 154 28.292 -12.286 57.127 1.00 18.62 C ATOM 1210 CG1 VAL A 154 28.748 -11.406 55.979 1.00 20.63 C ATOM 1211 CG2 VAL A 154 29.017 -13.616 57.104 1.00 22.22 C ATOM 1212 H VAL A 154 30.582 -11.886 58.563 1.00 0.00 H ATOM 1213 N LEU A 155 26.527 -12.375 59.627 1.00 16.22 N ATOM 1214 CA LEU A 155 25.838 -13.045 60.750 1.00 14.76 C ATOM 1215 C LEU A 155 26.049 -14.562 60.715 1.00 14.36 C ATOM 1216 O LEU A 155 25.944 -15.224 59.646 1.00 16.14 O ATOM 1217 CB LEU A 155 24.370 -12.686 60.700 1.00 13.86 C ATOM 1218 CG LEU A 155 23.549 -13.198 61.891 1.00 13.55 C ATOM 1219 CD1 LEU A 155 23.912 -12.459 63.170 1.00 13.59 C ATOM 1220 CD2 LEU A 155 22.047 -12.954 61.633 1.00 14.97 C ATOM 1221 H LEU A 155 25.979 -11.936 58.860 1.00 0.00 H ATOM 1222 N LYS A 156 26.316 -15.122 61.886 1.00 13.72 N ATOM 1223 CA LYS A 156 26.480 -16.575 62.038 1.00 14.57 C ATOM 1224 C LYS A 156 25.321 -17.175 62.834 1.00 12.15 C ATOM 1225 O LYS A 156 24.678 -16.511 63.618 1.00 12.74 O ATOM 1226 CB LYS A 156 27.821 -16.907 62.714 1.00 14.53 C ATOM 1227 CG LYS A 156 29.060 -16.404 62.000 1.00 15.92 C ATOM 1228 CD LYS A 156 29.285 -17.173 60.735 1.00 19.84 C ATOM 1229 CE LYS A 156 30.515 -16.640 60.004 1.00 25.24 C ATOM 1230 NZ LYS A 156 30.767 -17.488 58.802 1.00 29.64 N ATOM 1231 HZ1 LYS A 156 30.933 -18.470 59.101 1.00 0.00 H ATOM 1232 HZ2 LYS A 156 29.939 -17.451 58.173 1.00 0.00 H ATOM 1233 HZ3 LYS A 156 31.604 -17.132 58.297 1.00 0.00 H ATOM 1234 H LYS A 156 26.413 -14.514 62.724 1.00 0.00 H ATOM 1235 N CYS A 157 25.085 -18.443 62.571 1.00 13.77 N ATOM 1236 CA CYS A 157 23.965 -19.230 63.072 1.00 14.71 C ATOM 1237 C CYS A 157 24.423 -20.571 63.617 1.00 13.75 C ATOM 1238 O CYS A 157 25.354 -21.159 63.098 1.00 14.97 O ATOM 1239 CB CYS A 157 22.984 -19.529 61.904 1.00 17.29 C ATOM 1240 SG CYS A 157 21.820 -18.171 61.548 1.00 17.78 S ATOM 1241 H CYS A 157 25.761 -18.929 61.947 1.00 0.00 H ATOM 1242 N LEU A 158 23.688 -21.088 64.594 1.00 13.95 N ATOM 1243 CA LEU A 158 23.989 -22.377 65.198 1.00 14.28 C ATOM 1244 C LEU A 158 22.709 -23.031 65.612 1.00 14.61 C ATOM 1245 O LEU A 158 21.900 -22.380 66.245 1.00 14.95 O ATOM 1246 CB LEU A 158 24.875 -22.199 66.418 1.00 14.28 C ATOM 1247 CG LEU A 158 25.215 -23.459 67.233 1.00 15.40 C ATOM 1248 CD1 LEU A 158 26.076 -24.467 66.434 1.00 18.99 C ATOM 1249 CD2 LEU A 158 25.863 -23.111 68.538 1.00 17.65 C ATOM 1250 H LEU A 158 22.867 -20.552 64.940 1.00 0.00 H ATOM 1251 N LYS A 159 22.493 -24.286 65.229 1.00 15.41 N ATOM 1252 CA LYS A 159 21.412 -25.083 65.802 1.00 15.84 C ATOM 1253 C LYS A 159 21.909 -25.840 67.016 1.00 15.39 C ATOM 1254 O LYS A 159 22.941 -26.474 66.924 1.00 18.05 O ATOM 1255 CB LYS A 159 20.839 -26.061 64.718 1.00 20.40 C ATOM 1256 CG LYS A 159 20.052 -25.245 63.670 1.00 25.83 C ATOM 1257 CD LYS A 159 19.416 -26.134 62.612 1.00 39.66 C ATOM 1258 CE LYS A 159 18.802 -25.315 61.475 1.00 48.49 C ATOM 1259 NZ LYS A 159 19.820 -25.010 60.426 1.00 36.26 N ATOM 1260 HZ1 LYS A 159 20.598 -24.465 60.848 1.00 0.00 H ATOM 1261 HZ2 LYS A 159 20.190 -25.900 60.035 1.00 0.00 H ATOM 1262 HZ3 LYS A 159 19.378 -24.454 59.667 1.00 0.00 H ATOM 1263 H LYS A 159 23.108 -24.709 64.505 1.00 0.00 H ATOM 1264 N ALA A 160 21.209 -25.691 68.131 1.00 14.99 N ATOM 1265 CA ALA A 160 21.654 -26.334 69.376 1.00 14.95 C ATOM 1266 C ALA A 160 20.464 -26.721 70.193 1.00 15.56 C ATOM 1267 O ALA A 160 19.486 -25.992 70.224 1.00 16.52 O ATOM 1268 CB ALA A 160 22.442 -25.326 70.177 1.00 19.09 C ATOM 1269 H ALA A 160 20.342 -25.117 68.126 1.00 0.00 H ATOM 1270 N PRO A 161 20.565 -27.814 70.936 1.00 15.20 N ATOM 1271 CA PRO A 161 19.446 -28.222 71.787 1.00 14.83 C ATOM 1272 C PRO A 161 19.433 -27.618 73.180 1.00 14.10 C ATOM 1273 O PRO A 161 20.533 -27.437 73.767 1.00 15.23 O ATOM 1274 CB PRO A 161 19.668 -29.752 71.904 1.00 15.41 C ATOM 1275 CG PRO A 161 21.166 -29.908 71.897 1.00 16.85 C ATOM 1276 CD PRO A 161 21.616 -28.828 70.913 1.00 16.10 C ATOM 1277 N ILE A 162 18.268 -27.358 73.739 1.00 13.78 N ATOM 1278 CA ILE A 162 18.092 -27.078 75.155 1.00 13.98 C ATOM 1279 C ILE A 162 18.550 -28.310 75.958 1.00 14.09 C ATOM 1280 O ILE A 162 18.155 -29.430 75.632 1.00 15.50 O ATOM 1281 CB ILE A 162 16.692 -26.645 75.520 1.00 15.76 C ATOM 1282 CG1 ILE A 162 16.338 -25.386 74.675 1.00 17.41 C ATOM 1283 CG2 ILE A 162 16.472 -26.459 77.018 1.00 16.74 C ATOM 1284 CD1 ILE A 162 14.895 -24.981 74.808 1.00 19.28 C ATOM 1285 H ILE A 162 17.424 -27.353 73.131 1.00 0.00 H ATOM 1286 N LEU A 163 19.325 -28.131 76.992 1.00 13.64 N ATOM 1287 CA LEU A 163 19.755 -29.229 77.875 1.00 13.21 C ATOM 1288 C LEU A 163 18.793 -29.380 79.023 1.00 15.29 C ATOM 1289 O LEU A 163 18.039 -28.458 79.401 1.00 15.95 O ATOM 1290 CB LEU A 163 21.169 -29.025 78.361 1.00 14.29 C ATOM 1291 CG LEU A 163 22.213 -28.827 77.231 1.00 16.32 C ATOM 1292 CD1 LEU A 163 23.610 -28.856 77.856 1.00 17.77 C ATOM 1293 CD2 LEU A 163 22.049 -29.840 76.114 1.00 16.85 C ATOM 1294 H LEU A 163 19.655 -27.168 77.203 1.00 0.00 H ATOM 1295 N SER A 164 18.816 -30.561 79.671 1.00 15.39 N ATOM 1296 CA SER A 164 18.046 -30.753 80.875 1.00 17.09 C ATOM 1297 C SER A 164 18.510 -29.841 81.979 1.00 16.88 C ATOM 1298 O SER A 164 19.710 -29.489 82.081 1.00 17.72 O ATOM 1299 CB SER A 164 18.101 -32.222 81.357 1.00 16.86 C ATOM 1300 OG SER A 164 19.414 -32.535 81.803 1.00 18.75 O ATOM 1301 HG SER A 164 19.442 -33.476 82.110 1.00 0.00 H ATOM 1302 H SER A 164 19.394 -31.341 79.299 1.00 0.00 H ATOM 1303 N ASP A 165 17.558 -29.534 82.851 1.00 20.29 N ATOM 1304 CA ASP A 165 17.867 -28.754 84.044 1.00 21.66 C ATOM 1305 C ASP A 165 18.935 -29.463 84.863 1.00 20.40 C ATOM 1306 O ASP A 165 19.854 -28.842 85.398 1.00 19.89 O ATOM 1307 CB ASP A 165 16.614 -28.455 84.904 1.00 30.18 C ATOM 1308 CG ASP A 165 16.875 -27.366 85.957 1.00 36.75 C ATOM 1309 OD1 ASP A 165 17.367 -26.252 85.631 1.00 38.08 O ATOM 1310 OD2 ASP A 165 16.616 -27.634 87.136 1.00 48.33 O ATOM 1311 H ASP A 165 16.582 -29.853 82.682 1.00 0.00 H ATOM 1312 N SER A 166 18.829 -30.778 84.997 1.00 20.55 N ATOM 1313 CA SER A 166 19.830 -31.422 85.844 1.00 20.64 C ATOM 1314 C SER A 166 21.272 -31.393 85.242 1.00 18.38 C ATOM 1315 O SER A 166 22.278 -31.239 85.922 1.00 18.98 O ATOM 1316 CB SER A 166 19.378 -32.841 86.287 1.00 23.76 C ATOM 1317 OG SER A 166 19.257 -33.655 85.167 1.00 25.92 O ATOM 1318 HG SER A 166 18.584 -33.269 84.551 1.00 0.00 H ATOM 1319 H SER A 166 18.076 -31.320 84.526 1.00 0.00 H ATOM 1320 N SER A 167 21.371 -31.549 83.915 1.00 16.04 N ATOM 1321 CA SER A 167 22.651 -31.457 83.255 1.00 16.59 C ATOM 1322 C SER A 167 23.222 -30.040 83.309 1.00 16.14 C ATOM 1323 O SER A 167 24.384 -29.838 83.505 1.00 17.07 O ATOM 1324 CB SER A 167 22.590 -31.912 81.818 1.00 17.86 C ATOM 1325 OG SER A 167 22.378 -33.344 81.800 1.00 22.05 O ATOM 1326 HG SER A 167 22.336 -33.658 80.862 1.00 0.00 H ATOM 1327 H SER A 167 20.516 -31.739 83.354 1.00 0.00 H ATOM 1328 N CYS A 168 22.359 -29.052 83.218 1.00 16.18 N ATOM 1329 CA CYS A 168 22.768 -27.643 83.292 1.00 14.88 C ATOM 1330 C CYS A 168 23.359 -27.310 84.677 1.00 14.31 C ATOM 1331 O CYS A 168 24.484 -26.769 84.804 1.00 16.33 O ATOM 1332 CB CYS A 168 21.537 -26.782 82.955 1.00 16.69 C ATOM 1333 SG CYS A 168 21.903 -25.025 82.767 1.00 17.81 S ATOM 1334 H CYS A 168 21.352 -29.276 83.089 1.00 0.00 H ATOM 1335 N LYS A 169 22.626 -27.749 85.706 1.00 16.49 N ATOM 1336 CA LYS A 169 23.082 -27.518 87.063 1.00 16.73 C ATOM 1337 C LYS A 169 24.369 -28.293 87.377 1.00 18.68 C ATOM 1338 O LYS A 169 25.251 -27.756 88.071 1.00 21.81 O ATOM 1339 CB LYS A 169 22.002 -27.784 88.070 1.00 18.83 C ATOM 1340 CG LYS A 169 20.807 -26.867 87.935 1.00 21.41 C ATOM 1341 CD LYS A 169 19.760 -27.278 88.938 1.00 28.42 C ATOM 1342 CE LYS A 169 18.693 -26.245 89.075 1.00 36.70 C ATOM 1343 NZ LYS A 169 18.013 -26.459 90.378 1.00 47.10 N ATOM 1344 HZ1 LYS A 169 17.596 -27.412 90.398 1.00 0.00 H ATOM 1345 HZ2 LYS A 169 18.705 -26.366 91.148 1.00 0.00 H ATOM 1346 HZ3 LYS A 169 17.263 -25.749 90.497 1.00 0.00 H ATOM 1347 H LYS A 169 21.733 -28.254 85.534 1.00 0.00 H ATOM 1348 N SER A 170 24.499 -29.507 86.848 1.00 18.34 N ATOM 1349 CA SER A 170 25.737 -30.278 87.030 1.00 20.71 C ATOM 1350 C SER A 170 26.960 -29.570 86.392 1.00 18.34 C ATOM 1351 O SER A 170 28.122 -29.641 86.842 1.00 20.27 O ATOM 1352 CB SER A 170 25.578 -31.733 86.532 1.00 24.97 C ATOM 1353 OG SER A 170 24.569 -32.330 87.295 1.00 35.26 O ATOM 1354 HG SER A 170 23.724 -31.828 87.174 1.00 0.00 H ATOM 1355 H SER A 170 23.715 -29.915 86.299 1.00 0.00 H ATOM 1356 N ALA A 171 26.710 -28.966 85.245 1.00 18.54 N ATOM 1357 CA ALA A 171 27.767 -28.284 84.540 1.00 17.79 C ATOM 1358 C ALA A 171 28.231 -27.032 85.302 1.00 16.13 C ATOM 1359 O ALA A 171 29.421 -26.743 85.273 1.00 17.52 O ATOM 1360 CB ALA A 171 27.310 -27.853 83.130 1.00 18.03 C ATOM 1361 H ALA A 171 25.748 -28.982 84.849 1.00 0.00 H ATOM 1362 N TYR A 172 27.321 -26.365 85.997 1.00 16.43 N ATOM 1363 CA TYR A 172 27.628 -25.060 86.689 1.00 17.02 C ATOM 1364 C TYR A 172 27.045 -25.100 88.099 1.00 16.38 C ATOM 1365 O TYR A 172 26.073 -24.416 88.399 1.00 16.63 O ATOM 1366 CB TYR A 172 27.081 -23.878 85.876 1.00 15.16 C ATOM 1367 CG TYR A 172 27.683 -23.689 84.512 1.00 14.71 C ATOM 1368 CD1 TYR A 172 28.987 -23.269 84.339 1.00 15.38 C ATOM 1369 CD2 TYR A 172 26.969 -23.948 83.356 1.00 15.43 C ATOM 1370 CE1 TYR A 172 29.547 -23.017 83.114 1.00 14.43 C ATOM 1371 CE2 TYR A 172 27.534 -23.703 82.108 1.00 13.94 C ATOM 1372 CZ TYR A 172 28.797 -23.226 81.958 1.00 13.73 C ATOM 1373 OH TYR A 172 29.350 -22.965 80.715 1.00 13.71 O ATOM 1374 HH TYR A 172 28.803 -22.284 80.248 1.00 0.00 H ATOM 1375 H TYR A 172 26.360 -26.756 86.068 1.00 0.00 H ATOM 1376 N PRO A 173 27.623 -25.959 88.974 1.00 18.08 N ATOM 1377 CA PRO A 173 27.022 -26.137 90.295 1.00 18.83 C ATOM 1378 C PRO A 173 26.889 -24.795 91.055 1.00 18.25 C ATOM 1379 O PRO A 173 27.850 -23.996 91.106 1.00 20.38 O ATOM 1380 CB PRO A 173 28.000 -27.043 90.992 1.00 21.56 C ATOM 1381 CG PRO A 173 28.805 -27.702 89.943 1.00 22.25 C ATOM 1382 CD PRO A 173 28.845 -26.788 88.772 1.00 19.95 C ATOM 1383 N GLY A 174 25.713 -24.576 91.623 1.00 17.87 N ATOM 1384 CA GLY A 174 25.441 -23.419 92.435 1.00 18.55 C ATOM 1385 C GLY A 174 25.184 -22.142 91.656 1.00 19.01 C ATOM 1386 O GLY A 174 24.885 -21.111 92.268 1.00 21.98 O ATOM 1387 H GLY A 174 24.953 -25.270 91.476 1.00 0.00 H ATOM 1388 N GLN A 175 25.228 -22.187 90.324 1.00 16.95 N ATOM 1389 CA GLN A 175 25.145 -20.926 89.510 1.00 15.16 C ATOM 1390 C GLN A 175 23.956 -20.790 88.603 1.00 16.61 C ATOM 1391 O GLN A 175 23.773 -19.733 88.001 1.00 17.78 O ATOM 1392 CB GLN A 175 26.440 -20.833 88.694 1.00 17.00 C ATOM 1393 CG GLN A 175 27.724 -20.695 89.553 1.00 19.66 C ATOM 1394 CD GLN A 175 29.008 -20.715 88.717 1.00 20.47 C ATOM 1395 OE1 GLN A 175 29.190 -21.599 87.846 1.00 25.39 O ATOM 1396 NE2 GLN A 175 29.884 -19.802 88.986 1.00 30.00 N ATOM 1397 HE22 GLN A 175 29.685 -19.090 89.718 1.00 0.00 H ATOM 1398 HE21 GLN A 175 30.787 -19.780 88.470 1.00 0.00 H ATOM 1399 H GLN A 175 25.321 -23.104 89.843 1.00 0.00 H ATOM 1400 N ILE A 176 23.166 -21.846 88.448 1.00 15.58 N ATOM 1401 CA ILE A 176 22.024 -21.845 87.549 1.00 14.44 C ATOM 1402 C ILE A 176 20.787 -21.542 88.319 1.00 16.19 C ATOM 1403 O ILE A 176 20.381 -22.328 89.192 1.00 19.35 O ATOM 1404 CB ILE A 176 21.926 -23.154 86.773 1.00 15.68 C ATOM 1405 CG1 ILE A 176 23.188 -23.429 85.990 1.00 14.74 C ATOM 1406 CG2 ILE A 176 20.643 -23.170 85.903 1.00 16.50 C ATOM 1407 CD1 ILE A 176 23.543 -22.427 84.933 1.00 15.10 C ATOM 1408 H ILE A 176 23.373 -22.708 88.992 1.00 0.00 H ATOM 1409 N THR A 177 20.135 -20.412 88.008 1.00 15.77 N ATOM 1410 CA THR A 177 18.897 -20.079 88.676 1.00 16.88 C ATOM 1411 C THR A 177 17.720 -20.521 87.844 1.00 15.56 C ATOM 1412 O THR A 177 17.843 -20.979 86.683 1.00 16.76 O ATOM 1413 CB THR A 177 18.776 -18.553 88.883 1.00 17.74 C ATOM 1414 OG1 THR A 177 18.504 -17.930 87.634 1.00 16.56 O ATOM 1415 CG2 THR A 177 20.006 -17.935 89.530 1.00 18.90 C ATOM 1416 HG1 THR A 177 18.426 -16.952 87.765 1.00 0.00 H ATOM 1417 H THR A 177 20.521 -19.773 87.284 1.00 0.00 H ATOM 1418 N SER A 178 16.517 -20.382 88.385 1.00 19.40 N ATOM 1419 CA SER A 178 15.288 -20.712 87.673 1.00 19.48 C ATOM 1420 C SER A 178 15.015 -19.836 86.431 1.00 18.30 C ATOM 1421 O SER A 178 14.142 -20.132 85.612 1.00 19.92 O ATOM 1422 CB SER A 178 14.072 -20.650 88.607 1.00 24.63 C ATOM 1423 OG SER A 178 13.840 -19.353 89.059 1.00 32.79 O ATOM 1424 HG SER A 178 13.051 -19.349 89.657 1.00 0.00 H ATOM 1425 H SER A 178 16.447 -20.022 89.358 1.00 0.00 H ATOM 1426 N ASN A 179 15.800 -18.772 86.293 1.00 16.92 N ATOM 1427 CA ASN A 179 15.724 -17.853 85.165 1.00 17.24 C ATOM 1428 C ASN A 179 16.765 -18.081 84.103 1.00 15.26 C ATOM 1429 O ASN A 179 16.971 -17.193 83.248 1.00 15.12 O ATOM 1430 CB ASN A 179 15.759 -16.415 85.685 1.00 18.26 C ATOM 1431 CG ASN A 179 14.629 -16.144 86.629 1.00 19.39 C ATOM 1432 OD1 ASN A 179 13.443 -16.397 86.285 1.00 22.56 O ATOM 1433 ND2 ASN A 179 14.950 -15.680 87.786 1.00 19.15 N ATOM 1434 HD22 ASN A 179 15.947 -15.491 88.012 1.00 0.00 H ATOM 1435 HD21 ASN A 179 14.212 -15.494 88.495 1.00 0.00 H ATOM 1436 H ASN A 179 16.508 -18.585 87.032 1.00 0.00 H ATOM 1437 N MET A 180 17.424 -19.233 84.116 1.00 14.79 N ATOM 1438 CA MET A 180 18.448 -19.573 83.146 1.00 14.73 C ATOM 1439 C MET A 180 18.171 -20.974 82.599 1.00 14.02 C ATOM 1440 O MET A 180 17.620 -21.805 83.346 1.00 16.47 O ATOM 1441 CB MET A 180 19.812 -19.608 83.843 1.00 14.40 C ATOM 1442 CG MET A 180 20.211 -18.281 84.495 1.00 14.29 C ATOM 1443 SD MET A 180 21.708 -18.468 85.470 1.00 14.60 S ATOM 1444 CE MET A 180 21.829 -16.853 86.275 1.00 18.68 C ATOM 1445 H MET A 180 17.195 -19.926 84.857 1.00 0.00 H ATOM 1446 N PHE A 181 18.638 -21.227 81.397 1.00 13.28 N ATOM 1447 CA PHE A 181 18.779 -22.574 80.868 1.00 13.88 C ATOM 1448 C PHE A 181 20.047 -22.736 80.069 1.00 13.89 C ATOM 1449 O PHE A 181 20.628 -21.726 79.617 1.00 13.25 O ATOM 1450 CB PHE A 181 17.542 -23.000 80.062 1.00 14.11 C ATOM 1451 CG PHE A 181 17.364 -22.270 78.749 1.00 13.81 C ATOM 1452 CD1 PHE A 181 17.925 -22.747 77.586 1.00 13.94 C ATOM 1453 CD2 PHE A 181 16.658 -21.051 78.667 1.00 16.12 C ATOM 1454 CE1 PHE A 181 17.776 -22.100 76.350 1.00 15.62 C ATOM 1455 CE2 PHE A 181 16.475 -20.427 77.429 1.00 15.69 C ATOM 1456 CZ PHE A 181 16.998 -20.956 76.288 1.00 15.53 C ATOM 1457 H PHE A 181 18.920 -20.426 80.796 1.00 0.00 H ATOM 1458 N CYS A 182 20.503 -23.972 79.937 1.00 13.29 N ATOM 1459 CA CYS A 182 21.652 -24.290 79.149 1.00 12.59 C ATOM 1460 C CYS A 182 21.232 -24.789 77.790 1.00 12.07 C ATOM 1461 O CYS A 182 20.203 -25.462 77.659 1.00 13.54 O ATOM 1462 CB CYS A 182 22.516 -25.364 79.784 1.00 13.26 C ATOM 1463 SG CYS A 182 23.370 -24.917 81.305 1.00 16.41 S ATOM 1464 H CYS A 182 20.005 -24.743 80.427 1.00 0.00 H ATOM 1465 N ALA A 183 22.026 -24.501 76.770 1.00 12.33 N ATOM 1466 CA ALA A 183 21.839 -25.043 75.417 1.00 12.23 C ATOM 1467 C ALA A 183 23.166 -25.298 74.793 1.00 13.02 C ATOM 1468 O ALA A 183 24.111 -24.540 75.099 1.00 14.60 O ATOM 1469 CB ALA A 183 20.928 -24.145 74.549 1.00 14.34 C ATOM 1470 H ALA A 183 22.825 -23.856 76.936 1.00 0.00 H ATOM 1471 N GLY A 184A 23.298 -26.329 73.971 1.00 13.98 N ATOM 1472 CA GLY A 184A 24.552 -26.600 73.317 1.00 15.23 C ATOM 1473 C GLY A 184A 24.979 -28.043 73.381 1.00 14.85 C ATOM 1474 O GLY A 184A 24.089 -28.958 73.332 1.00 15.52 O ATOM 1475 H GLY A 184A 22.484 -26.952 73.796 1.00 0.00 H ATOM 1476 N TYR A 184 26.249 -28.288 73.421 1.00 15.84 N ATOM 1477 CA TYR A 184 26.907 -29.557 73.147 1.00 16.18 C ATOM 1478 C TYR A 184 27.989 -29.799 74.158 1.00 15.62 C ATOM 1479 O TYR A 184 28.978 -29.072 74.164 1.00 18.32 O ATOM 1480 CB TYR A 184 27.500 -29.573 71.727 1.00 20.81 C ATOM 1481 CG TYR A 184 26.429 -29.473 70.662 1.00 19.69 C ATOM 1482 CD1 TYR A 184 26.022 -28.246 70.213 1.00 18.99 C ATOM 1483 CD2 TYR A 184 25.791 -30.598 70.126 1.00 26.66 C ATOM 1484 CE1 TYR A 184 25.035 -28.082 69.262 1.00 21.58 C ATOM 1485 CE2 TYR A 184 24.826 -30.458 69.123 1.00 22.15 C ATOM 1486 CZ TYR A 184 24.449 -29.169 68.731 1.00 24.08 C ATOM 1487 OH TYR A 184 23.466 -29.038 67.774 1.00 26.09 O ATOM 1488 HH TYR A 184 23.304 -28.077 67.598 1.00 0.00 H ATOM 1489 H TYR A 184 26.867 -27.491 73.677 1.00 0.00 H ATOM 1490 N LEU A 185 27.838 -30.787 74.997 1.00 16.27 N ATOM 1491 CA LEU A 185 28.749 -31.019 76.116 1.00 16.04 C ATOM 1492 C LEU A 185 30.148 -31.484 75.678 1.00 15.71 C ATOM 1493 O LEU A 185 31.067 -31.405 76.467 1.00 18.08 O ATOM 1494 CB LEU A 185 28.132 -31.992 77.131 1.00 17.51 C ATOM 1495 CG LEU A 185 26.920 -31.409 77.835 1.00 17.88 C ATOM 1496 CD1 LEU A 185 26.241 -32.491 78.667 1.00 19.80 C ATOM 1497 CD2 LEU A 185 27.208 -30.185 78.701 1.00 18.07 C ATOM 1498 H LEU A 185 27.036 -31.436 74.864 1.00 0.00 H ATOM 1499 N GLU A 186 30.297 -31.964 74.448 1.00 18.14 N ATOM 1500 CA GLU A 186 31.623 -32.322 73.944 1.00 20.11 C ATOM 1501 C GLU A 186 32.451 -31.146 73.518 1.00 19.02 C ATOM 1502 O GLU A 186 33.595 -31.318 73.193 1.00 23.51 O ATOM 1503 CB GLU A 186 31.501 -33.282 72.718 1.00 23.39 C ATOM 1504 CG GLU A 186 31.015 -34.656 73.005 1.00 34.97 C ATOM 1505 CD GLU A 186 31.549 -35.660 71.979 1.00 39.66 C ATOM 1506 OE1 GLU A 186 31.403 -35.493 70.731 1.00 31.29 O ATOM 1507 OE2 GLU A 186 32.168 -36.599 72.440 1.00 34.82 O ATOM 1508 H GLU A 186 29.464 -32.086 73.838 1.00 0.00 H ATOM 1509 N GLY A 187 31.851 -29.978 73.445 1.00 19.20 N ATOM 1510 CA GLY A 187 32.524 -28.809 73.001 1.00 19.06 C ATOM 1511 C GLY A 187 32.463 -28.602 71.507 1.00 18.78 C ATOM 1512 O GLY A 187 31.928 -29.370 70.774 1.00 23.06 O ATOM 1513 H GLY A 187 30.851 -29.908 73.722 1.00 0.00 H ATOM 1514 N GLY A 188A 32.967 -27.461 71.076 1.00 16.54 N ATOM 1515 CA GLY A 188A 33.062 -27.146 69.679 1.00 15.88 C ATOM 1516 C GLY A 188A 31.943 -26.329 69.101 1.00 16.07 C ATOM 1517 O GLY A 188A 32.073 -25.798 68.005 1.00 16.35 O ATOM 1518 H GLY A 188A 33.307 -26.767 71.772 1.00 0.00 H ATOM 1519 N LYS A 188 30.762 -26.200 69.756 1.00 14.62 N ATOM 1520 CA LYS A 188 29.610 -25.512 69.188 1.00 14.85 C ATOM 1521 C LYS A 188 28.930 -24.711 70.280 1.00 13.35 C ATOM 1522 O LYS A 188 28.436 -25.263 71.240 1.00 14.75 O ATOM 1523 CB LYS A 188 28.636 -26.484 68.590 1.00 17.40 C ATOM 1524 CG LYS A 188 29.039 -27.139 67.295 1.00 20.68 C ATOM 1525 CD LYS A 188 27.829 -27.994 66.779 1.00 28.49 C ATOM 1526 CE LYS A 188 28.064 -29.455 66.888 1.00 45.12 C ATOM 1527 NZ LYS A 188 28.927 -29.748 65.754 1.00 53.23 N ATOM 1528 HZ1 LYS A 188 28.439 -29.491 64.873 1.00 0.00 H ATOM 1529 HZ2 LYS A 188 29.806 -29.199 65.838 1.00 0.00 H ATOM 1530 HZ3 LYS A 188 29.151 -30.764 65.744 1.00 0.00 H ATOM 1531 H LYS A 188 30.675 -26.611 70.707 1.00 0.00 H ATOM 1532 N ASP A 189 28.944 -23.364 70.158 1.00 12.80 N ATOM 1533 CA ASP A 189 28.423 -22.504 71.246 1.00 12.28 C ATOM 1534 C ASP A 189 28.330 -21.090 70.783 1.00 11.67 C ATOM 1535 O ASP A 189 28.822 -20.741 69.704 1.00 13.21 O ATOM 1536 CB ASP A 189 29.428 -22.588 72.436 1.00 11.87 C ATOM 1537 CG ASP A 189 28.938 -22.153 73.770 1.00 12.75 C ATOM 1538 OD1 ASP A 189 27.760 -21.753 73.968 1.00 12.51 O ATOM 1539 OD2 ASP A 189 29.815 -22.190 74.710 1.00 13.48 O ATOM 1540 H ASP A 189 29.324 -22.928 69.293 1.00 0.00 H ATOM 1541 N SER A 190 27.646 -20.264 71.565 1.00 11.07 N ATOM 1542 CA SER A 190 27.755 -18.801 71.449 1.00 10.78 C ATOM 1543 C SER A 190 29.048 -18.361 72.136 1.00 11.03 C ATOM 1544 O SER A 190 29.686 -19.105 72.837 1.00 11.94 O ATOM 1545 CB SER A 190 26.505 -18.106 71.980 1.00 11.49 C ATOM 1546 OG SER A 190 26.178 -18.452 73.295 1.00 12.04 O ATOM 1547 HG SER A 190 26.016 -19.427 73.348 1.00 0.00 H ATOM 1548 H SER A 190 27.011 -20.665 72.285 1.00 0.00 H ATOM 1549 N CYS A 191 29.405 -17.088 71.956 1.00 10.72 N ATOM 1550 CA CYS A 191 30.656 -16.590 72.483 1.00 10.59 C ATOM 1551 C CYS A 191 30.599 -15.068 72.624 1.00 10.51 C ATOM 1552 O CYS A 191 29.606 -14.431 72.317 1.00 10.50 O ATOM 1553 CB CYS A 191 31.818 -17.031 71.572 1.00 11.95 C ATOM 1554 SG CYS A 191 33.484 -17.031 72.296 1.00 13.66 S ATOM 1555 H CYS A 191 28.777 -16.447 71.431 1.00 0.00 H ATOM 1556 N GLN A 192 31.741 -14.458 73.029 1.00 11.23 N ATOM 1557 CA GLN A 192 31.758 -13.002 73.227 1.00 10.30 C ATOM 1558 C GLN A 192 31.370 -12.274 71.932 1.00 9.97 C ATOM 1559 O GLN A 192 31.868 -12.587 70.850 1.00 11.81 O ATOM 1560 CB GLN A 192 33.143 -12.526 73.694 1.00 11.07 C ATOM 1561 CG GLN A 192 33.399 -12.683 75.131 1.00 11.60 C ATOM 1562 CD GLN A 192 33.455 -14.157 75.607 1.00 10.90 C ATOM 1563 OE1 GLN A 192 34.052 -14.976 74.926 1.00 12.80 O ATOM 1564 NE2 GLN A 192 32.817 -14.464 76.701 1.00 11.89 N ATOM 1565 HE22 GLN A 192 32.325 -13.724 77.241 1.00 0.00 H ATOM 1566 HE21 GLN A 192 32.799 -15.449 77.034 1.00 0.00 H ATOM 1567 H GLN A 192 32.601 -15.018 73.199 1.00 0.00 H ATOM 1568 N GLY A 193 30.494 -11.287 72.061 1.00 9.97 N ATOM 1569 CA GLY A 193 29.848 -10.598 70.983 1.00 10.47 C ATOM 1570 C GLY A 193 28.472 -11.092 70.595 1.00 9.82 C ATOM 1571 O GLY A 193 27.732 -10.392 69.919 1.00 10.79 O ATOM 1572 H GLY A 193 30.255 -10.987 73.028 1.00 0.00 H ATOM 1573 N ASP A 194 28.083 -12.261 71.146 1.00 9.58 N ATOM 1574 CA ASP A 194 26.736 -12.828 70.915 1.00 9.53 C ATOM 1575 C ASP A 194 25.760 -12.445 71.975 1.00 9.23 C ATOM 1576 O ASP A 194 24.535 -12.525 71.743 1.00 10.58 O ATOM 1577 CB ASP A 194 26.788 -14.337 70.772 1.00 10.73 C ATOM 1578 CG ASP A 194 27.545 -14.831 69.539 1.00 10.60 C ATOM 1579 OD1 ASP A 194 27.366 -14.142 68.484 1.00 11.43 O ATOM 1580 OD2 ASP A 194 28.295 -15.853 69.649 1.00 11.32 O ATOM 1581 H ASP A 194 28.751 -12.779 71.752 1.00 0.00 H ATOM 1582 N SER A 195 26.205 -11.959 73.140 1.00 9.32 N ATOM 1583 CA SER A 195 25.344 -11.578 74.241 1.00 8.54 C ATOM 1584 C SER A 195 24.160 -10.736 73.788 1.00 9.26 C ATOM 1585 O SER A 195 24.348 -9.831 72.990 1.00 10.05 O ATOM 1586 CB SER A 195 26.055 -10.737 75.292 1.00 8.82 C ATOM 1587 OG SER A 195 26.705 -11.594 76.253 1.00 10.27 O ATOM 1588 HG SER A 195 27.164 -11.038 76.932 1.00 0.00 H ATOM 1589 H SER A 195 27.232 -11.848 73.262 1.00 0.00 H ATOM 1590 N GLY A 196 23.007 -10.992 74.409 1.00 9.94 N ATOM 1591 CA GLY A 196 21.835 -10.250 74.109 1.00 9.36 C ATOM 1592 C GLY A 196 21.055 -10.769 72.921 1.00 9.77 C ATOM 1593 O GLY A 196 19.861 -10.379 72.787 1.00 11.63 O ATOM 1594 H GLY A 196 22.967 -11.747 75.124 1.00 0.00 H ATOM 1595 N GLY A 197 21.675 -11.600 72.083 1.00 10.61 N ATOM 1596 CA GLY A 197 21.007 -12.090 70.903 1.00 12.02 C ATOM 1597 C GLY A 197 20.084 -13.293 71.194 1.00 11.66 C ATOM 1598 O GLY A 197 19.951 -13.770 72.305 1.00 11.56 O ATOM 1599 H GLY A 197 22.651 -11.898 72.283 1.00 0.00 H ATOM 1600 N PRO A 198 19.415 -13.681 70.116 1.00 11.79 N ATOM 1601 CA PRO A 198 18.279 -14.607 70.260 1.00 11.91 C ATOM 1602 C PRO A 198 18.682 -16.070 70.311 1.00 12.10 C ATOM 1603 O PRO A 198 19.601 -16.574 69.628 1.00 13.48 O ATOM 1604 CB PRO A 198 17.501 -14.350 68.966 1.00 13.79 C ATOM 1605 CG PRO A 198 18.550 -13.951 67.956 1.00 13.95 C ATOM 1606 CD PRO A 198 19.478 -13.062 68.793 1.00 12.29 C ATOM 1607 N VAL A 199 17.806 -16.783 71.059 1.00 13.15 N ATOM 1608 CA VAL A 199 17.670 -18.254 71.015 1.00 13.00 C ATOM 1609 C VAL A 199 16.178 -18.514 70.661 1.00 12.61 C ATOM 1610 O VAL A 199 15.315 -18.193 71.473 1.00 13.79 O ATOM 1611 CB VAL A 199 18.021 -18.958 72.314 1.00 14.02 C ATOM 1612 CG1 VAL A 199 17.859 -20.451 72.210 1.00 16.37 C ATOM 1613 CG2 VAL A 199 19.406 -18.603 72.810 1.00 15.84 C ATOM 1614 H VAL A 199 17.186 -16.259 71.709 1.00 0.00 H ATOM 1615 N VAL A 200 15.963 -18.966 69.433 1.00 13.95 N ATOM 1616 CA VAL A 200 14.588 -19.117 68.912 1.00 15.27 C ATOM 1617 C VAL A 200 14.293 -20.589 68.709 1.00 16.21 C ATOM 1618 O VAL A 200 15.054 -21.319 68.117 1.00 15.66 O ATOM 1619 CB VAL A 200 14.410 -18.322 67.624 1.00 15.94 C ATOM 1620 CG1 VAL A 200 13.119 -18.731 66.901 1.00 19.11 C ATOM 1621 CG2 VAL A 200 14.393 -16.830 67.905 1.00 17.45 C ATOM 1622 H VAL A 200 16.772 -19.217 68.829 1.00 0.00 H ATOM 1623 N CYS A 201 13.139 -20.992 69.254 1.00 18.03 N ATOM 1624 CA CYS A 201 12.772 -22.392 69.265 1.00 18.74 C ATOM 1625 C CYS A 201 11.319 -22.400 68.809 1.00 22.24 C ATOM 1626 O CYS A 201 10.480 -21.756 69.382 1.00 21.37 O ATOM 1627 CB CYS A 201 12.881 -23.016 70.650 1.00 19.84 C ATOM 1628 SG CYS A 201 14.307 -22.544 71.645 1.00 21.09 S ATOM 1629 H CYS A 201 12.498 -20.290 69.675 1.00 0.00 H ATOM 1630 N SER A 202 11.030 -23.119 67.757 1.00 26.41 N ATOM 1631 CA SER A 202 9.597 -23.279 67.349 1.00 25.33 C ATOM 1632 C SER A 202 9.012 -21.907 67.046 1.00 25.62 C ATOM 1633 O SER A 202 7.834 -21.632 67.299 1.00 27.65 O ATOM 1634 CB SER A 202 8.709 -24.074 68.372 1.00 29.34 C ATOM 1635 OG SER A 202 9.267 -25.290 68.844 1.00 39.39 O ATOM 1636 HG SER A 202 10.124 -25.102 69.302 1.00 0.00 H ATOM 1637 H SER A 202 11.787 -23.575 67.209 1.00 0.00 H ATOM 1638 N GLY A 203 9.881 -21.038 66.533 1.00 24.36 N ATOM 1639 CA GLY A 203 9.485 -19.715 66.082 1.00 22.74 C ATOM 1640 C GLY A 203 9.226 -18.720 67.204 1.00 21.28 C ATOM 1641 O GLY A 203 8.662 -17.652 66.945 1.00 24.45 O ATOM 1642 H GLY A 203 10.880 -21.317 66.452 1.00 0.00 H ATOM 1643 N LYS A 204 9.607 -19.041 68.429 1.00 19.72 N ATOM 1644 CA LYS A 204 9.445 -18.123 69.560 1.00 18.08 C ATOM 1645 C LYS A 204 10.846 -17.805 70.135 1.00 17.61 C ATOM 1646 O LYS A 204 11.715 -18.684 70.209 1.00 17.82 O ATOM 1647 CB LYS A 204 8.629 -18.818 70.651 1.00 20.10 C ATOM 1648 CG LYS A 204 7.249 -19.371 70.196 1.00 24.41 C ATOM 1649 CD LYS A 204 6.400 -18.330 69.463 1.00 26.67 C ATOM 1650 CE LYS A 204 5.150 -18.845 68.750 1.00 37.21 C ATOM 1651 NZ LYS A 204 4.118 -19.068 69.740 1.00 48.11 N ATOM 1652 HZ1 LYS A 204 4.449 -19.771 70.431 1.00 0.00 H ATOM 1653 HZ2 LYS A 204 3.907 -18.173 70.227 1.00 0.00 H ATOM 1654 HZ3 LYS A 204 3.259 -19.419 69.271 1.00 0.00 H ATOM 1655 H LYS A 204 10.035 -19.974 68.595 1.00 0.00 H ATOM 1656 N LEU A 209 10.841 -16.559 70.751 1.00 15.98 N ATOM 1657 CA LEU A 209 12.084 -16.207 71.466 1.00 15.49 C ATOM 1658 C LEU A 209 12.082 -16.828 72.842 1.00 16.05 C ATOM 1659 O LEU A 209 11.448 -16.301 73.783 1.00 18.20 O ATOM 1660 CB LEU A 209 12.126 -14.671 71.543 1.00 15.46 C ATOM 1661 CG LEU A 209 13.402 -14.126 72.187 1.00 14.48 C ATOM 1662 CD1 LEU A 209 14.654 -14.375 71.347 1.00 15.22 C ATOM 1663 CD2 LEU A 209 13.194 -12.660 72.416 1.00 17.54 C ATOM 1664 H LEU A 209 10.021 -15.921 70.711 1.00 0.00 H ATOM 1665 N GLN A 210 12.872 -17.888 73.011 1.00 16.13 N ATOM 1666 CA GLN A 210 12.955 -18.586 74.313 1.00 16.61 C ATOM 1667 C GLN A 210 14.174 -18.207 75.129 1.00 13.96 C ATOM 1668 O GLN A 210 14.139 -18.313 76.349 1.00 15.63 O ATOM 1669 CB GLN A 210 12.934 -20.100 74.115 1.00 18.87 C ATOM 1670 CG GLN A 210 11.599 -20.583 73.569 1.00 20.16 C ATOM 1671 CD GLN A 210 10.385 -20.661 74.537 1.00 22.12 C ATOM 1672 OE1 GLN A 210 9.299 -21.212 74.173 1.00 25.49 O ATOM 1673 NE2 GLN A 210 10.496 -20.142 75.709 1.00 24.33 N ATOM 1674 HE22 GLN A 210 11.389 -19.694 75.997 1.00 0.00 H ATOM 1675 HE21 GLN A 210 9.693 -20.171 76.369 1.00 0.00 H ATOM 1676 H GLN A 210 13.442 -18.231 72.212 1.00 0.00 H ATOM 1677 N GLY A 211 15.232 -17.693 74.464 1.00 13.45 N ATOM 1678 CA GLY A 211 16.444 -17.368 75.260 1.00 12.94 C ATOM 1679 C GLY A 211 17.132 -16.107 74.750 1.00 11.84 C ATOM 1680 O GLY A 211 16.910 -15.634 73.626 1.00 12.53 O ATOM 1681 H GLY A 211 15.199 -17.531 73.437 1.00 0.00 H ATOM 1682 N ILE A 212 17.972 -15.614 75.630 1.00 12.29 N ATOM 1683 CA ILE A 212 18.875 -14.494 75.361 1.00 11.70 C ATOM 1684 C ILE A 212 20.299 -14.975 75.710 1.00 10.96 C ATOM 1685 O ILE A 212 20.534 -15.475 76.827 1.00 11.20 O ATOM 1686 CB ILE A 212 18.536 -13.286 76.263 1.00 11.62 C ATOM 1687 CG1 ILE A 212 17.064 -12.866 76.100 1.00 13.77 C ATOM 1688 CG2 ILE A 212 19.458 -12.107 76.010 1.00 11.88 C ATOM 1689 CD1 ILE A 212 16.573 -11.907 77.146 1.00 15.76 C ATOM 1690 H ILE A 212 17.997 -16.045 76.576 1.00 0.00 H ATOM 1691 N VAL A 213 21.241 -14.793 74.762 1.00 10.12 N ATOM 1692 CA VAL A 213 22.621 -15.170 75.050 1.00 10.68 C ATOM 1693 C VAL A 213 23.118 -14.405 76.282 1.00 10.38 C ATOM 1694 O VAL A 213 23.012 -13.147 76.332 1.00 10.89 O ATOM 1695 CB VAL A 213 23.524 -14.836 73.859 1.00 10.38 C ATOM 1696 CG1 VAL A 213 24.980 -15.198 74.145 1.00 10.68 C ATOM 1697 CG2 VAL A 213 23.034 -15.506 72.565 1.00 11.26 C ATOM 1698 H VAL A 213 20.987 -14.389 73.838 1.00 0.00 H ATOM 1699 N SER A 214 23.655 -15.104 77.263 1.00 10.47 N ATOM 1700 CA SER A 214 24.045 -14.496 78.543 1.00 10.32 C ATOM 1701 C SER A 214 25.484 -14.787 78.912 1.00 10.61 C ATOM 1702 O SER A 214 26.323 -13.864 78.932 1.00 11.28 O ATOM 1703 CB SER A 214 23.002 -14.879 79.633 1.00 12.37 C ATOM 1704 OG SER A 214 23.258 -14.289 80.898 1.00 12.48 O ATOM 1705 HG SER A 214 23.245 -13.303 80.810 1.00 0.00 H ATOM 1706 H SER A 214 23.808 -16.123 77.126 1.00 0.00 H ATOM 1707 N TRP A 215 25.846 -16.030 79.248 1.00 10.64 N ATOM 1708 CA TRP A 215 27.152 -16.333 79.767 1.00 9.77 C ATOM 1709 C TRP A 215 27.582 -17.755 79.553 1.00 10.43 C ATOM 1710 O TRP A 215 26.759 -18.589 79.124 1.00 11.39 O ATOM 1711 CB TRP A 215 27.241 -15.933 81.273 1.00 11.25 C ATOM 1712 CG TRP A 215 26.371 -16.704 82.204 1.00 12.57 C ATOM 1713 CD1 TRP A 215 25.130 -16.381 82.578 1.00 12.21 C ATOM 1714 CD2 TRP A 215 26.741 -17.858 83.004 1.00 12.76 C ATOM 1715 NE1 TRP A 215 24.640 -17.252 83.553 1.00 14.63 N ATOM 1716 CE2 TRP A 215 25.648 -18.152 83.833 1.00 13.50 C ATOM 1717 CE3 TRP A 215 27.900 -18.620 83.134 1.00 13.17 C ATOM 1718 CZ2 TRP A 215 25.678 -19.221 84.760 1.00 14.48 C ATOM 1719 CZ3 TRP A 215 27.902 -19.713 84.008 1.00 13.90 C ATOM 1720 CH2 TRP A 215 26.836 -19.950 84.814 1.00 15.48 C ATOM 1721 HE1 TRP A 215 23.695 -17.227 83.986 1.00 0.00 H ATOM 1722 H TRP A 215 25.160 -16.803 79.130 1.00 0.00 H ATOM 1723 N GLY A 216 28.825 -18.057 79.891 1.00 11.49 N ATOM 1724 CA GLY A 216 29.323 -19.443 79.949 1.00 10.52 C ATOM 1725 C GLY A 216 30.720 -19.386 80.464 1.00 12.28 C ATOM 1726 O GLY A 216 31.301 -18.295 80.611 1.00 14.25 O ATOM 1727 H GLY A 216 29.479 -17.283 80.126 1.00 0.00 H ATOM 1728 N SER A 217 31.348 -20.519 80.721 1.00 12.38 N ATOM 1729 CA SER A 217 32.758 -20.569 81.056 1.00 12.57 C ATOM 1730 C SER A 217 33.539 -20.798 79.816 1.00 13.80 C ATOM 1731 O SER A 217 33.454 -21.860 79.150 1.00 14.51 O ATOM 1732 CB SER A 217 33.119 -21.693 82.000 1.00 15.22 C ATOM 1733 OG SER A 217 32.491 -21.561 83.190 1.00 19.33 O ATOM 1734 HG SER A 217 32.749 -22.311 83.783 1.00 0.00 H ATOM 1735 H SER A 217 30.811 -21.409 80.682 1.00 0.00 H ATOM 1736 N GLY A 219 34.361 -19.812 79.285 1.00 14.08 N ATOM 1737 CA GLY A 219 34.929 -19.886 78.012 1.00 14.41 C ATOM 1738 C GLY A 219 33.830 -19.951 76.939 1.00 14.14 C ATOM 1739 O GLY A 219 32.712 -19.549 77.174 1.00 14.18 O ATOM 1740 H GLY A 219 34.564 -18.974 79.867 1.00 0.00 H ATOM 1741 N CYS A 220 34.178 -20.488 75.787 1.00 14.47 N ATOM 1742 CA CYS A 220 33.286 -20.725 74.683 1.00 15.49 C ATOM 1743 C CYS A 220 33.556 -22.073 74.123 1.00 13.87 C ATOM 1744 O CYS A 220 34.715 -22.389 73.822 1.00 15.28 O ATOM 1745 CB CYS A 220 33.452 -19.625 73.465 1.00 18.26 C ATOM 1746 SG CYS A 220 33.252 -17.995 74.113 1.00 17.46 S ATOM 1747 H CYS A 220 35.174 -20.762 75.666 1.00 0.00 H ATOM 1748 N ALA A 221A 32.494 -22.861 73.926 1.00 13.96 N ATOM 1749 CA ALA A 221A 32.600 -24.127 73.174 1.00 14.42 C ATOM 1750 C ALA A 221A 33.574 -25.112 73.855 1.00 13.35 C ATOM 1751 O ALA A 221A 34.184 -25.983 73.204 1.00 15.37 O ATOM 1752 CB ALA A 221A 32.987 -23.856 71.738 1.00 15.62 C ATOM 1753 H ALA A 221A 31.571 -22.575 74.312 1.00 0.00 H ATOM 1754 N GLN A 221 33.685 -25.016 75.188 1.00 13.76 N ATOM 1755 CA GLN A 221 34.518 -25.907 75.979 1.00 15.14 C ATOM 1756 C GLN A 221 33.687 -27.112 76.406 1.00 16.14 C ATOM 1757 O GLN A 221 32.501 -27.051 76.652 1.00 16.10 O ATOM 1758 CB GLN A 221 35.079 -25.180 77.192 1.00 17.27 C ATOM 1759 CG GLN A 221 35.960 -24.006 76.866 1.00 18.75 C ATOM 1760 CD GLN A 221 37.110 -24.392 76.043 1.00 21.60 C ATOM 1761 OE1 GLN A 221 37.932 -25.187 76.481 1.00 28.79 O ATOM 1762 NE2 GLN A 221 37.172 -23.891 74.844 1.00 22.82 N ATOM 1763 HE22 GLN A 221 36.446 -23.219 74.523 1.00 0.00 H ATOM 1764 HE21 GLN A 221 37.947 -24.163 74.206 1.00 0.00 H ATOM 1765 H GLN A 221 33.151 -24.270 75.678 1.00 0.00 H ATOM 1766 N LYS A 222 34.387 -28.202 76.529 1.00 16.03 N ATOM 1767 CA LYS A 222 33.810 -29.455 77.018 1.00 17.25 C ATOM 1768 C LYS A 222 33.150 -29.252 78.368 1.00 16.95 C ATOM 1769 O LYS A 222 33.722 -28.631 79.261 1.00 16.96 O ATOM 1770 CB LYS A 222 34.913 -30.503 77.100 1.00 20.66 C ATOM 1771 CG LYS A 222 34.434 -31.850 77.626 1.00 29.25 C ATOM 1772 CD LYS A 222 35.609 -32.824 77.576 1.00 32.20 C ATOM 1773 CE LYS A 222 35.184 -34.281 77.490 1.00 52.72 C ATOM 1774 NZ LYS A 222 34.441 -34.611 76.225 1.00 60.58 N ATOM 1775 HZ1 LYS A 222 33.581 -34.030 76.168 1.00 0.00 H ATOM 1776 HZ2 LYS A 222 35.050 -34.413 75.405 1.00 0.00 H ATOM 1777 HZ3 LYS A 222 34.181 -35.618 76.230 1.00 0.00 H ATOM 1778 H LYS A 222 35.394 -28.182 76.270 1.00 0.00 H ATOM 1779 N ASN A 223 31.914 -29.739 78.510 1.00 16.47 N ATOM 1780 CA ASN A 223 31.196 -29.690 79.769 1.00 17.40 C ATOM 1781 C ASN A 223 30.857 -28.291 80.272 1.00 16.60 C ATOM 1782 O ASN A 223 30.404 -28.121 81.394 1.00 17.93 O ATOM 1783 CB ASN A 223 31.831 -30.541 80.872 1.00 20.40 C ATOM 1784 CG ASN A 223 31.765 -32.007 80.524 1.00 25.13 C ATOM 1785 OD1 ASN A 223 32.733 -32.695 80.650 1.00 32.76 O ATOM 1786 ND2 ASN A 223 30.604 -32.442 80.012 1.00 27.11 N ATOM 1787 HD22 ASN A 223 29.796 -31.792 79.929 1.00 0.00 H ATOM 1788 HD21 ASN A 223 30.511 -33.429 79.698 1.00 0.00 H ATOM 1789 H ASN A 223 31.449 -30.170 77.686 1.00 0.00 H ATOM 1790 N LYS A 224 30.907 -27.328 79.373 1.00 15.29 N ATOM 1791 CA LYS A 224 30.636 -25.922 79.688 1.00 14.90 C ATOM 1792 C LYS A 224 29.720 -25.339 78.642 1.00 14.04 C ATOM 1793 O LYS A 224 30.138 -24.574 77.791 1.00 14.46 O ATOM 1794 CB LYS A 224 31.959 -25.138 79.843 1.00 16.86 C ATOM 1795 CG LYS A 224 32.819 -25.586 81.000 1.00 20.60 C ATOM 1796 CD LYS A 224 34.257 -25.199 80.736 1.00 30.69 C ATOM 1797 CE LYS A 224 35.130 -25.420 81.941 1.00 38.64 C ATOM 1798 NZ LYS A 224 36.540 -25.565 81.511 1.00 53.02 N ATOM 1799 HZ1 LYS A 224 36.623 -26.379 80.869 1.00 0.00 H ATOM 1800 HZ2 LYS A 224 36.842 -24.700 81.018 1.00 0.00 H ATOM 1801 HZ3 LYS A 224 37.142 -25.718 82.345 1.00 0.00 H ATOM 1802 H LYS A 224 31.150 -27.578 78.393 1.00 0.00 H ATOM 1803 N PRO A 225 28.457 -25.697 78.677 1.00 13.10 N ATOM 1804 CA PRO A 225 27.508 -25.230 77.669 1.00 13.61 C ATOM 1805 C PRO A 225 27.150 -23.744 77.820 1.00 11.49 C ATOM 1806 O PRO A 225 27.434 -23.135 78.849 1.00 12.77 O ATOM 1807 CB PRO A 225 26.252 -26.108 77.897 1.00 13.94 C ATOM 1808 CG PRO A 225 26.322 -26.388 79.359 1.00 15.78 C ATOM 1809 CD PRO A 225 27.797 -26.590 79.651 1.00 15.63 C ATOM 1810 N GLY A 226 26.548 -23.183 76.793 1.00 12.56 N ATOM 1811 CA GLY A 226 26.051 -21.809 76.921 1.00 11.74 C ATOM 1812 C GLY A 226 24.924 -21.720 77.907 1.00 11.75 C ATOM 1813 O GLY A 226 24.082 -22.633 78.004 1.00 12.47 O ATOM 1814 H GLY A 226 26.426 -23.707 75.903 1.00 0.00 H ATOM 1815 N VAL A 227 24.822 -20.570 78.594 1.00 11.32 N ATOM 1816 CA VAL A 227 23.800 -20.276 79.539 1.00 10.65 C ATOM 1817 C VAL A 227 22.983 -19.058 79.034 1.00 10.94 C ATOM 1818 O VAL A 227 23.550 -18.039 78.581 1.00 11.35 O ATOM 1819 CB VAL A 227 24.271 -20.063 80.970 1.00 11.88 C ATOM 1820 CG1 VAL A 227 23.108 -19.925 81.949 1.00 12.32 C ATOM 1821 CG2 VAL A 227 25.221 -21.165 81.406 1.00 11.95 C ATOM 1822 H VAL A 227 25.543 -19.841 78.422 1.00 0.00 H ATOM 1823 N TYR A 228 21.667 -19.174 79.053 1.00 11.68 N ATOM 1824 CA TYR A 228 20.744 -18.281 78.392 1.00 10.92 C ATOM 1825 C TYR A 228 19.645 -17.828 79.360 1.00 11.07 C ATOM 1826 O TYR A 228 19.143 -18.610 80.188 1.00 13.13 O ATOM 1827 CB TYR A 228 20.137 -19.040 77.213 1.00 10.37 C ATOM 1828 CG TYR A 228 21.172 -19.439 76.201 1.00 11.65 C ATOM 1829 CD1 TYR A 228 21.617 -18.548 75.213 1.00 11.32 C ATOM 1830 CD2 TYR A 228 21.789 -20.684 76.258 1.00 11.05 C ATOM 1831 CE1 TYR A 228 22.623 -18.901 74.346 1.00 12.30 C ATOM 1832 CE2 TYR A 228 22.799 -21.046 75.384 1.00 11.41 C ATOM 1833 CZ TYR A 228 23.251 -20.140 74.409 1.00 10.56 C ATOM 1834 OH TYR A 228 24.224 -20.375 73.536 1.00 11.96 O ATOM 1835 HH TYR A 228 23.982 -21.154 72.975 1.00 0.00 H ATOM 1836 H TYR A 228 21.264 -19.971 79.586 1.00 0.00 H ATOM 1837 N THR A 229 19.216 -16.577 79.229 1.00 11.54 N ATOM 1838 CA THR A 229 18.136 -16.085 80.017 1.00 12.31 C ATOM 1839 C THR A 229 16.831 -16.730 79.516 1.00 13.12 C ATOM 1840 O THR A 229 16.591 -16.810 78.316 1.00 13.56 O ATOM 1841 CB THR A 229 18.048 -14.556 79.898 1.00 11.82 C ATOM 1842 OG1 THR A 229 19.296 -14.027 80.171 1.00 13.46 O ATOM 1843 CG2 THR A 229 16.949 -14.020 80.802 1.00 14.46 C ATOM 1844 HG1 THR A 229 19.258 -13.040 80.099 1.00 0.00 H ATOM 1845 H THR A 229 19.676 -15.948 78.541 1.00 0.00 H ATOM 1846 N LYS A 230 16.057 -17.202 80.508 1.00 13.44 N ATOM 1847 CA LYS A 230 14.815 -17.947 80.179 1.00 15.79 C ATOM 1848 C LYS A 230 13.642 -16.965 79.938 1.00 15.29 C ATOM 1849 O LYS A 230 12.931 -16.576 80.903 1.00 16.87 O ATOM 1850 CB LYS A 230 14.528 -18.918 81.336 1.00 17.90 C ATOM 1851 CG LYS A 230 13.394 -19.858 81.100 1.00 17.65 C ATOM 1852 CD LYS A 230 13.340 -20.906 82.223 1.00 24.53 C ATOM 1853 CE LYS A 230 13.475 -22.299 81.707 1.00 41.74 C ATOM 1854 NZ LYS A 230 12.676 -23.293 82.518 1.00 43.43 N ATOM 1855 HZ1 LYS A 230 13.008 -23.281 83.504 1.00 0.00 H ATOM 1856 HZ2 LYS A 230 11.669 -23.034 82.487 1.00 0.00 H ATOM 1857 HZ3 LYS A 230 12.803 -24.245 82.120 1.00 0.00 H ATOM 1858 H LYS A 230 16.326 -17.046 81.500 1.00 0.00 H ATOM 1859 N VAL A 231 13.460 -16.587 78.675 1.00 15.68 N ATOM 1860 CA VAL A 231 12.502 -15.547 78.298 1.00 16.00 C ATOM 1861 C VAL A 231 11.065 -15.857 78.708 1.00 16.54 C ATOM 1862 O VAL A 231 10.309 -14.915 79.068 1.00 18.80 O ATOM 1863 CB VAL A 231 12.576 -15.240 76.805 1.00 15.49 C ATOM 1864 CG1 VAL A 231 11.539 -14.212 76.399 1.00 16.57 C ATOM 1865 CG2 VAL A 231 13.952 -14.716 76.435 1.00 14.95 C ATOM 1866 H VAL A 231 14.019 -17.048 77.929 1.00 0.00 H ATOM 1867 N CYS A 232 10.686 -17.135 78.757 1.00 18.18 N ATOM 1868 CA CYS A 232 9.282 -17.444 79.123 1.00 20.08 C ATOM 1869 C CYS A 232 8.872 -16.980 80.522 1.00 22.07 C ATOM 1870 O CYS A 232 7.704 -16.812 80.787 1.00 24.95 O ATOM 1871 CB CYS A 232 9.020 -18.912 78.896 1.00 20.36 C ATOM 1872 SG CYS A 232 9.951 -20.012 79.997 1.00 22.98 S ATOM 1873 H CYS A 232 11.360 -17.898 78.543 1.00 0.00 H ATOM 1874 N ASN A 233 9.828 -16.713 81.418 1.00 19.26 N ATOM 1875 CA ASN A 233 9.543 -16.269 82.752 1.00 21.58 C ATOM 1876 C ASN A 233 9.196 -14.797 82.807 1.00 21.45 C ATOM 1877 O ASN A 233 8.734 -14.309 83.836 1.00 24.49 O ATOM 1878 CB ASN A 233 10.693 -16.538 83.707 1.00 21.60 C ATOM 1879 CG ASN A 233 10.909 -18.013 83.968 1.00 21.19 C ATOM 1880 OD1 ASN A 233 10.151 -18.892 83.520 1.00 26.61 O ATOM 1881 ND2 ASN A 233 11.980 -18.294 84.683 1.00 23.52 N ATOM 1882 HD22 ASN A 233 12.585 -17.526 85.037 1.00 0.00 H ATOM 1883 HD21 ASN A 233 12.220 -19.284 84.893 1.00 0.00 H ATOM 1884 H ASN A 233 10.822 -16.832 81.135 1.00 0.00 H ATOM 1885 N TYR A 234 9.458 -14.105 81.707 1.00 18.66 N ATOM 1886 CA TYR A 234 9.374 -12.645 81.676 1.00 20.40 C ATOM 1887 C TYR A 234 8.310 -12.070 80.740 1.00 20.31 C ATOM 1888 O TYR A 234 8.248 -10.870 80.582 1.00 21.08 O ATOM 1889 CB TYR A 234 10.750 -12.078 81.217 1.00 17.72 C ATOM 1890 CG TYR A 234 11.840 -12.450 82.171 1.00 17.62 C ATOM 1891 CD1 TYR A 234 12.038 -11.761 83.371 1.00 18.01 C ATOM 1892 CD2 TYR A 234 12.679 -13.533 81.915 1.00 16.19 C ATOM 1893 CE1 TYR A 234 12.997 -12.152 84.292 1.00 17.14 C ATOM 1894 CE2 TYR A 234 13.638 -13.900 82.831 1.00 16.06 C ATOM 1895 CZ TYR A 234 13.810 -13.232 83.999 1.00 15.31 C ATOM 1896 OH TYR A 234 14.747 -13.572 84.918 1.00 16.35 O ATOM 1897 HH TYR A 234 14.693 -12.951 85.688 1.00 0.00 H ATOM 1898 H TYR A 234 9.731 -14.614 80.842 1.00 0.00 H ATOM 1899 N VAL A 235 7.477 -12.895 80.168 1.00 20.06 N ATOM 1900 CA VAL A 235 6.533 -12.421 79.143 1.00 20.61 C ATOM 1901 C VAL A 235 5.558 -11.373 79.738 1.00 21.18 C ATOM 1902 O VAL A 235 5.323 -10.343 79.106 1.00 21.44 O ATOM 1903 CB VAL A 235 5.813 -13.592 78.440 1.00 23.81 C ATOM 1904 CG1 VAL A 235 4.689 -13.095 77.543 1.00 24.87 C ATOM 1905 CG2 VAL A 235 6.824 -14.444 77.670 1.00 27.20 C ATOM 1906 H VAL A 235 7.480 -13.899 80.439 1.00 0.00 H ATOM 1907 N SER A 236 5.028 -11.607 80.944 1.00 23.31 N ATOM 1908 CA SER A 236 4.114 -10.636 81.575 1.00 24.82 C ATOM 1909 C SER A 236 4.824 -9.315 81.879 1.00 25.31 C ATOM 1910 O SER A 236 4.306 -8.235 81.645 1.00 25.58 O ATOM 1911 CB SER A 236 3.449 -11.207 82.859 1.00 32.50 C ATOM 1912 OG SER A 236 2.632 -12.317 82.535 1.00 39.97 O ATOM 1913 HG SER A 236 2.215 -12.671 83.360 1.00 0.00 H ATOM 1914 H SER A 236 5.264 -12.487 81.445 1.00 0.00 H ATOM 1915 N TRP A 237 6.046 -9.415 82.402 1.00 23.42 N ATOM 1916 CA TRP A 237 6.860 -8.239 82.616 1.00 22.67 C ATOM 1917 C TRP A 237 7.167 -7.459 81.341 1.00 19.64 C ATOM 1918 O TRP A 237 7.078 -6.250 81.316 1.00 22.22 O ATOM 1919 CB TRP A 237 8.160 -8.607 83.317 1.00 20.92 C ATOM 1920 CG TRP A 237 9.041 -7.426 83.500 1.00 20.07 C ATOM 1921 CD1 TRP A 237 8.901 -6.450 84.440 1.00 24.20 C ATOM 1922 CD2 TRP A 237 10.223 -7.079 82.732 1.00 19.38 C ATOM 1923 NE1 TRP A 237 9.927 -5.528 84.328 1.00 20.82 N ATOM 1924 CE2 TRP A 237 10.724 -5.868 83.268 1.00 19.14 C ATOM 1925 CE3 TRP A 237 10.902 -7.681 81.670 1.00 20.35 C ATOM 1926 CZ2 TRP A 237 11.882 -5.264 82.789 1.00 19.30 C ATOM 1927 CZ3 TRP A 237 12.087 -7.045 81.176 1.00 19.07 C ATOM 1928 CH2 TRP A 237 12.540 -5.831 81.743 1.00 20.66 C ATOM 1929 HE1 TRP A 237 10.070 -4.707 84.950 1.00 0.00 H ATOM 1930 H TRP A 237 6.419 -10.351 82.660 1.00 0.00 H ATOM 1931 N ILE A 238 7.501 -8.166 80.282 1.00 19.24 N ATOM 1932 CA ILE A 238 7.744 -7.500 79.007 1.00 19.47 C ATOM 1933 C ILE A 238 6.528 -6.722 78.498 1.00 18.09 C ATOM 1934 O ILE A 238 6.637 -5.561 78.131 1.00 20.31 O ATOM 1935 CB ILE A 238 8.225 -8.477 77.941 1.00 17.93 C ATOM 1936 CG1 ILE A 238 9.601 -9.082 78.296 1.00 18.88 C ATOM 1937 CG2 ILE A 238 8.257 -7.817 76.557 1.00 20.16 C ATOM 1938 CD1 ILE A 238 10.026 -10.274 77.456 1.00 20.55 C ATOM 1939 H ILE A 238 7.592 -9.200 80.354 1.00 0.00 H ATOM 1940 N LYS A 239 5.374 -7.382 78.447 1.00 20.44 N ATOM 1941 CA LYS A 239 4.139 -6.732 77.993 1.00 24.13 C ATOM 1942 C LYS A 239 3.738 -5.581 78.877 1.00 22.32 C ATOM 1943 O LYS A 239 3.360 -4.525 78.360 1.00 27.01 O ATOM 1944 CB LYS A 239 3.003 -7.733 77.960 1.00 28.61 C ATOM 1945 CG LYS A 239 3.187 -8.778 76.868 1.00 26.91 C ATOM 1946 CD LYS A 239 2.066 -9.783 76.852 1.00 37.46 C ATOM 1947 CE LYS A 239 2.201 -10.671 75.626 1.00 43.24 C ATOM 1948 NZ LYS A 239 1.047 -11.604 75.517 1.00 56.12 N ATOM 1949 HZ1 LYS A 239 1.008 -12.206 76.364 1.00 0.00 H ATOM 1950 HZ2 LYS A 239 0.166 -11.056 75.439 1.00 0.00 H ATOM 1951 HZ3 LYS A 239 1.163 -12.199 74.672 1.00 0.00 H ATOM 1952 H LYS A 239 5.346 -8.381 78.735 1.00 0.00 H ATOM 1953 N GLN A 240 3.877 -5.743 80.183 1.00 22.73 N ATOM 1954 CA GLN A 240 3.537 -4.664 81.122 1.00 26.07 C ATOM 1955 C GLN A 240 4.496 -3.472 80.923 1.00 25.48 C ATOM 1956 O GLN A 240 4.101 -2.306 80.963 1.00 26.20 O ATOM 1957 CB GLN A 240 3.512 -5.102 82.588 1.00 34.48 C ATOM 1958 CG GLN A 240 2.659 -6.349 83.013 1.00 47.28 C ATOM 1959 CD GLN A 240 1.560 -6.873 82.043 1.00 68.59 C ATOM 1960 OE1 GLN A 240 1.562 -8.074 81.661 1.00 62.38 O ATOM 1961 NE2 GLN A 240 0.578 -5.997 81.691 1.00 67.28 N ATOM 1962 HE22 GLN A 240 0.613 -5.014 82.028 1.00 0.00 H ATOM 1963 HE21 GLN A 240 -0.207 -6.312 81.086 1.00 0.00 H ATOM 1964 H GLN A 240 4.233 -6.648 80.551 1.00 0.00 H ATOM 1965 N THR A 241 5.782 -3.761 80.701 1.00 23.83 N ATOM 1966 CA THR A 241 6.812 -2.680 80.545 1.00 21.37 C ATOM 1967 C THR A 241 6.579 -1.911 79.245 1.00 21.17 C ATOM 1968 O THR A 241 6.567 -0.691 79.190 1.00 22.98 O ATOM 1969 CB THR A 241 8.221 -3.290 80.597 1.00 20.42 C ATOM 1970 OG1 THR A 241 8.383 -3.932 81.863 1.00 23.12 O ATOM 1971 CG2 THR A 241 9.244 -2.202 80.426 1.00 22.02 C ATOM 1972 HG1 THR A 241 7.700 -4.642 81.961 1.00 0.00 H ATOM 1973 H THR A 241 6.075 -4.757 80.635 1.00 0.00 H ATOM 1974 N ILE A 242 6.284 -2.641 78.196 1.00 21.17 N ATOM 1975 CA ILE A 242 5.962 -2.033 76.900 1.00 23.32 C ATOM 1976 C ILE A 242 4.700 -1.130 77.012 1.00 26.25 C ATOM 1977 O ILE A 242 4.662 0.010 76.495 1.00 28.96 O ATOM 1978 CB ILE A 242 5.754 -3.113 75.806 1.00 27.25 C ATOM 1979 CG1 ILE A 242 7.097 -3.659 75.344 1.00 24.90 C ATOM 1980 CG2 ILE A 242 4.994 -2.547 74.589 1.00 28.77 C ATOM 1981 CD1 ILE A 242 6.883 -4.901 74.484 1.00 29.41 C ATOM 1982 H ILE A 242 6.278 -3.677 78.285 1.00 0.00 H ATOM 1983 N ALA A 243 3.681 -1.619 77.731 1.00 25.85 N ATOM 1984 CA ALA A 243 2.415 -0.892 77.862 1.00 30.78 C ATOM 1985 C ALA A 243 2.588 0.417 78.620 1.00 31.31 C ATOM 1986 O ALA A 243 1.813 1.370 78.445 1.00 34.49 O ATOM 1987 CB ALA A 243 1.352 -1.756 78.542 1.00 31.20 C ATOM 1988 H ALA A 243 3.791 -2.537 78.208 1.00 0.00 H ATOM 1989 N SER A 244 3.569 0.464 79.509 1.00 27.11 N ATOM 1990 CA SER A 244 3.693 1.605 80.393 1.00 29.14 C ATOM 1991 C SER A 244 4.855 2.532 80.091 1.00 25.24 C ATOM 1992 O SER A 244 5.141 3.453 80.870 1.00 28.87 O ATOM 1993 CB SER A 244 3.657 1.108 81.841 1.00 36.10 C ATOM 1994 OG SER A 244 4.805 0.395 82.200 1.00 39.84 O ATOM 1995 HG SER A 244 4.899 -0.395 81.611 1.00 0.00 H ATOM 1996 H SER A 244 4.251 -0.319 79.572 1.00 0.00 H ATOM 1997 N ASN A 245 5.556 2.267 79.000 1.00 23.84 N ATOM 1998 CA ASN A 245 6.700 3.092 78.585 1.00 23.62 C ATOM 1999 C ASN A 245 6.676 3.402 77.124 1.00 23.59 C ATOM 2000 O ASN A 245 7.631 4.015 76.565 1.00 25.57 O ATOM 2001 CB ASN A 245 8.041 2.426 78.967 1.00 21.74 C ATOM 2002 CG ASN A 245 8.229 2.295 80.462 1.00 21.53 C ATOM 2003 OD1 ASN A 245 8.746 3.203 81.135 1.00 24.38 O ATOM 2004 ND2 ASN A 245 7.861 1.142 80.996 1.00 23.92 N ATOM 2005 OXT ASN A 245 5.662 3.131 76.467 1.00 33.71 O ATOM 2006 HD22 ASN A 245 7.431 0.406 80.400 1.00 0.00 H ATOM 2007 HD21 ASN A 245 8.001 0.971 82.012 1.00 0.00 H ATOM 2008 H ASN A 245 5.289 1.448 78.417 1.00 0.00 H TER 2009 ASN A 245 HETATM 2010 CA CA A 1 25.810 -3.645 56.854 1.00 20.29 CA HETATM 2011 O HOH 2 23.653 -12.232 69.044 1.00 11.09 O HETATM 2012 O HOH 3 25.696 -10.594 67.979 1.00 11.31 O HETATM 2013 O HOH 4 18.018 -16.810 66.156 1.00 14.99 O HETATM 2014 O HOH 5 29.451 -15.278 65.164 1.00 13.93 O HETATM 2015 O HOH 6 17.339 -11.389 72.387 1.00 16.07 O HETATM 2016 O HOH 7 32.309 -23.081 76.914 1.00 15.14 O HETATM 2017 O HOH 8 19.590 -11.853 59.270 1.00 17.68 O HETATM 2018 O HOH 9 19.771 -9.208 60.766 1.00 17.26 O HETATM 2019 O HOH 10 25.306 -22.753 73.357 1.00 13.78 O HETATM 2020 O HOH 11 27.022 -2.352 61.859 1.00 15.55 O HETATM 2021 O HOH 12 20.543 -6.193 62.181 1.00 15.00 O HETATM 2022 O HOH 13 31.737 -17.016 77.894 1.00 12.64 O HETATM 2023 O HOH 14 27.152 -2.868 64.614 1.00 15.21 O HETATM 2024 O HOH 15 25.194 -17.976 76.319 1.00 15.48 O HETATM 2025 O HOH 16 27.558 -25.595 73.861 1.00 16.52 O HETATM 2026 O HOH 17 21.918 -11.086 58.057 1.00 18.52 O HETATM 2027 O HOH 18 18.677 -14.800 84.076 1.00 18.23 O HETATM 2028 O HOH 19 16.983 -6.801 61.814 1.00 18.05 O HETATM 2029 O HOH 20 30.021 -25.119 75.013 1.00 17.98 O HETATM 2030 O HOH 21 29.061 -21.391 56.705 1.00 23.91 O HETATM 2031 O HOH 22 12.082 -19.374 77.705 1.00 20.12 O HETATM 2032 O HOH 23 16.958 0.284 83.522 1.00 18.60 O HETATM 2033 O HOH 24 18.835 -26.131 80.959 1.00 17.43 O HETATM 2034 O HOH 25 23.450 -24.675 89.203 1.00 20.61 O HETATM 2035 O HOH 26 31.825 4.701 72.164 1.00 19.03 O HETATM 2036 O HOH 27 19.855 -35.282 81.560 1.00 23.51 O HETATM 2037 O HOH 28 7.198 -10.881 62.403 1.00 25.93 O HETATM 2038 O HOH 29 7.298 -8.247 61.655 1.00 24.08 O HETATM 2039 O HOH 30 15.280 -2.002 55.979 1.00 25.74 O HETATM 2040 O HOH 31 26.040 -13.773 54.617 1.00 21.71 O HETATM 2041 O HOH 32 38.934 -11.045 63.971 1.00 28.53 O HETATM 2042 O HOH 33 24.923 -14.374 57.176 1.00 18.07 O HETATM 2043 O HOH 34 26.371 -1.767 58.202 1.00 19.31 O HETATM 2044 O HOH 35 21.911 -4.672 54.953 1.00 21.77 O HETATM 2045 O HOH 36 36.162 -14.702 73.145 1.00 20.19 O HETATM 2046 O HOH 37 33.573 -26.697 65.954 1.00 23.11 O HETATM 2047 O HOH 38 33.815 -21.899 64.439 1.00 23.61 O HETATM 2048 O HOH 39 18.000 -8.768 58.602 1.00 19.49 O HETATM 2049 O HOH 40 37.226 -23.047 67.388 1.00 28.84 O HETATM 2050 O HOH 41 28.885 -6.536 80.682 1.00 20.70 O HETATM 2051 O HOH 42 21.467 -6.844 53.225 1.00 24.54 O HETATM 2052 O HOH 43 17.825 3.319 81.947 1.00 21.14 O HETATM 2053 O HOH 44 7.917 -15.288 65.348 1.00 33.54 O HETATM 2054 O HOH 45 26.489 -3.929 89.934 1.00 23.44 O HETATM 2055 O HOH 46 24.436 -25.777 63.470 1.00 23.82 O HETATM 2056 O HOH 47 29.770 -23.823 58.437 1.00 27.33 O HETATM 2057 O HOH 48 17.491 7.598 65.683 1.00 25.93 O HETATM 2058 O HOH 49 9.111 -22.490 71.575 1.00 26.67 O HETATM 2059 O HOH 50 23.099 -26.648 92.044 1.00 36.62 O HETATM 2060 O HOH 51 13.950 3.494 60.147 1.00 27.48 O HETATM 2061 O HOH 52 37.104 -20.690 75.437 1.00 21.23 O HETATM 2062 O HOH 53 21.401 -15.247 83.016 1.00 20.84 O HETATM 2063 O HOH 54 14.519 -12.547 91.088 1.00 28.75 O HETATM 2064 O HOH 55 24.475 -5.360 55.913 1.00 20.34 O HETATM 2065 O HOH 56 12.460 4.876 62.134 1.00 31.08 O HETATM 2066 O HOH 57 30.189 -27.116 72.498 1.00 25.11 O HETATM 2067 O HOH 58 29.820 -27.541 76.351 1.00 23.16 O HETATM 2068 O HOH 59 24.537 -17.393 89.206 1.00 19.81 O HETATM 2069 O HOH 60 27.363 5.427 70.076 1.00 26.94 O HETATM 2070 O HOH 61 33.126 -23.416 84.956 1.00 31.28 O HETATM 2071 O HOH 62 31.776 -3.908 65.546 1.00127.42 O HETATM 2072 O HOH 63 20.916 -12.901 92.356 1.00 27.75 O HETATM 2073 O HOH 64 19.059 4.236 58.921 1.00 31.10 O HETATM 2074 O HOH 65 26.098 -32.932 74.226 1.00 26.50 O HETATM 2075 O HOH 66 32.095 -9.338 64.703 1.00 24.79 O HETATM 2076 O HOH 67 4.925 -11.632 70.625 1.00 31.04 O HETATM 2077 O HOH 68 30.543 -20.277 63.561 1.00 20.85 O HETATM 2078 O HOH 69 14.097 -1.219 85.608 1.00 25.40 O HETATM 2079 O HOH 70 8.205 -7.638 58.942 1.00 26.63 O HETATM 2080 O HOH 71 31.381 -28.225 83.868 1.00 29.21 O HETATM 2081 O HOH 72 26.994 -25.667 62.305 1.00 27.50 O HETATM 2082 O HOH 73 6.874 -12.024 83.733 1.00 29.11 O HETATM 2083 O HOH 74 21.167 6.794 65.192 1.00 29.83 O HETATM 2084 O HOH 75 27.279 -3.056 79.216 1.00 23.00 O HETATM 2085 O HOH 76 16.448 -19.874 91.314 1.00 36.20 O HETATM 2086 O HOH 77 32.257 -12.913 57.830 1.00 29.68 O HETATM 2087 O HOH 78 18.502 -11.576 91.538 1.00 30.82 O HETATM 2088 O HOH 79 9.395 5.705 80.448 1.00 27.59 O HETATM 2089 O HOH 80 26.359 -31.740 82.575 1.00 36.03 O HETATM 2090 O HOH 81 9.789 -27.139 73.517 1.00 32.29 O HETATM 2091 O HOH 82 29.606 -17.719 90.921 1.00 28.85 O HETATM 2092 O HOH 83 30.779 3.289 74.352 1.00 28.67 O HETATM 2093 O HOH 84 9.600 -10.478 86.271 1.00 31.76 O HETATM 2094 O HOH 85 19.193 -21.286 59.239 1.00 36.09 O HETATM 2095 O HOH 86 30.311 0.681 53.730 1.00 37.73 O HETATM 2096 O HOH 87 9.409 -3.115 85.841 1.00 29.88 O HETATM 2097 O HOH 88 26.390 -5.877 84.365 1.00 28.57 O HETATM 2098 O HOH 89 18.465 -9.465 51.632 1.00 34.09 O HETATM 2099 O HOH 90 6.890 -10.171 69.863 1.00 26.88 O HETATM 2100 O HOH 91 37.309 -17.836 72.588 1.00 34.69 O HETATM 2101 O HOH 92 33.658 -6.867 54.782 1.00 35.45 O HETATM 2102 O HOH 93 14.236 -18.112 63.029 1.00 31.50 O HETATM 2103 O HOH 94 28.953 -7.577 83.140 1.00 31.05 O HETATM 2104 O HOH 95 21.360 0.187 76.583 1.00 28.12 O HETATM 2105 O HOH 96 5.591 -6.500 64.989 1.00 31.94 O HETATM 2106 O HOH 97 31.858 -23.980 61.964 1.00 34.80 O HETATM 2107 O HOH 98 5.758 -20.123 66.265 1.00 39.27 O HETATM 2108 O HOH 99 35.600 -16.811 76.513 1.00 34.19 O HETATM 2109 O HOH 100 24.817 -27.965 65.143 1.00 31.37 O HETATM 2110 O HOH 101 19.837 -8.868 93.487 1.00 32.62 O HETATM 2111 O HOH 102 20.728 6.282 76.562 1.00 41.06 O HETATM 2112 O HOH 103 26.531 -10.000 53.090 1.00 39.97 O HETATM 2113 O HOH 104 28.493 -14.201 53.248 1.00 33.70 O HETATM 2114 O HOH 105 5.712 -21.766 72.469 1.00 48.72 O HETATM 2115 O HOH 106 5.078 -3.736 65.425 1.00 31.13 O HETATM 2116 O HOH 107 17.407 -25.411 83.250 1.00 36.84 O HETATM 2117 O HOH 108 4.880 -7.291 62.509 1.00 36.75 O HETATM 2118 O HOH 109 19.314 4.289 77.410 1.00 32.74 O HETATM 2119 O HOH 110 20.728 -15.719 92.138 1.00 32.68 O HETATM 2120 O HOH 111 26.821 -17.307 90.978 1.00 26.67 O HETATM 2121 O HOH 112 22.963 -17.638 91.527 1.00 31.02 O HETATM 2122 O HOH 113 32.654 -6.162 65.824 1.00 41.65 O HETATM 2123 O HOH 114 14.425 -24.685 80.277 1.00 42.52 O HETATM 2124 O HOH 115 6.150 -18.096 64.797 1.00 37.47 O HETATM 2125 O HOH 116 8.117 6.458 64.773 1.00 43.04 O HETATM 2126 O HOH 117 16.018 -23.558 84.537 1.00 33.51 O HETATM 2127 O HOH 118 2.037 -4.606 75.969 1.00 35.07 O HETATM 2128 O HOH 119 31.630 1.332 75.838 1.00 33.59 O HETATM 2129 O HOH 120 5.540 1.373 74.039 1.00 34.44 O HETATM 2130 O HOH 121 20.931 6.344 72.055 1.00 36.33 O HETATM 2131 O HOH 122 21.492 3.359 57.493 1.00 55.19 O HETATM 2132 O HOH 123 21.917 -12.440 94.798 1.00 37.10 O HETATM 2133 O HOH 124 39.767 -22.599 68.436 1.00 34.91 O HETATM 2134 O HOH 125 10.706 -21.280 84.941 1.00 36.72 O HETATM 2135 O HOH 126 5.378 -23.140 80.118 1.00 44.38 O HETATM 2136 O HOH 127 24.250 -34.400 80.612 1.00 32.10 O HETATM 2137 O HOH 128 7.905 -10.070 57.759 1.00 33.53 O HETATM 2138 O HOH 129 12.752 -21.363 65.054 1.00129.95 O HETATM 2139 O HOH 130 37.218 -28.143 76.051 1.00 33.63 O HETATM 2140 O HOH 131 20.623 -19.143 53.855 1.00 44.45 O HETATM 2141 O HOH 132 8.756 -32.086 74.720 1.00 34.38 O HETATM 2142 O HOH 133 29.799 -9.508 52.911 1.00 37.26 O HETATM 2143 O HOH 134 7.416 -12.836 60.651 1.00 51.58 O HETATM 2144 O HOH 135 11.396 -12.140 56.282 1.00 34.26 O HETATM 2145 O HOH 136 24.399 -2.794 83.437 1.00 37.27 O HETATM 2146 O HOH 137 36.304 -27.966 79.856 1.00 29.29 O HETATM 2147 O HOH 138 7.953 8.408 75.751 1.00 49.20 O HETATM 2148 O HOH 139 33.182 -21.179 88.933 1.00 39.19 O HETATM 2149 O HOH 140 10.728 -0.671 54.627 1.00 33.53 O HETATM 2150 O HOH 141 20.834 -27.091 59.974 1.00 35.99 O HETATM 2151 O HOH 142 35.299 -15.182 62.337 1.00 29.21 O HETATM 2152 O HOH 143 11.981 -13.023 87.957 1.00 54.10 O HETATM 2153 O HOH 144 43.490 -14.993 68.003 1.00 46.14 O HETATM 2154 O HOH 145 26.513 -2.640 83.225 1.00 44.28 O HETATM 2155 O HOH 146 4.408 -6.712 71.486 1.00 50.06 O HETATM 2156 O HOH 147 1.281 -13.073 78.503 1.00 55.53 O HETATM 2157 O HOH 148 5.470 -14.499 81.934 1.00 42.23 O HETATM 2158 O HOH 149 37.097 -17.606 80.320 1.00 46.67 O HETATM 2159 O HOH 150 38.231 -13.246 74.120 1.00 50.67 O HETATM 2160 O HOH 151 7.433 -1.099 55.751 1.00 56.31 O HETATM 2161 O HOH 152 37.406 -18.173 75.207 1.00 34.46 O HETATM 2162 O HOH 153 30.838 -16.908 54.851 1.00 54.89 O HETATM 2163 O HOH 154 2.288 -18.615 66.953 1.00 32.14 O HETATM 2164 O HOH 155 6.381 -6.658 57.112 1.00 35.61 O HETATM 2165 O HOH 156 16.682 -24.139 86.909 1.00 45.31 O HETATM 2166 O HOH 157 5.155 4.144 72.403 1.00 49.09 O HETATM 2167 O HOH 158 32.994 -0.502 54.999 1.00 41.71 O HETATM 2168 O HOH 159 16.270 -32.102 84.388 1.00 32.81 O HETATM 2169 O HOH 160 15.137 8.033 64.806 1.00 40.57 O HETATM 2170 O HOH 161 28.966 3.837 61.046 1.00 38.84 O HETATM 2171 O HOH 162 33.344 -7.813 62.923 1.00 34.89 O HETATM 2172 O HOH 163 33.116 -11.376 55.059 1.00 56.18 O HETATM 2173 O HOH 164 22.590 -0.609 84.686 1.00 35.47 O HETATM 2174 O HOH 165 19.560 -30.933 89.697 1.00 35.84 O HETATM 2175 O HOH 166 9.804 -12.940 59.563 1.00 43.48 O HETATM 2176 O HOH 167 14.882 -30.340 82.321 1.00 38.21 O HETATM 2177 O HOH 168 9.744 -25.186 71.534 1.00 39.82 O HETATM 2178 O HOH 169 9.806 -24.424 82.669 1.00 43.30 O HETATM 2179 O HOH 170 22.137 -31.606 88.735 1.00 36.73 O HETATM 2180 O HOH 171 30.946 -20.354 59.830 1.00 43.32 O HETATM 2181 O HOH 172 36.246 -6.618 58.082 1.00 41.20 O HETATM 2182 O HOH 173 23.772 -14.288 95.664 1.00 50.71 O HETATM 2183 O HOH 174 14.083 -24.237 65.479 1.00 63.17 O HETATM 2184 O HOH 175 5.548 -22.596 69.187 1.00 36.67 O HETATM 2185 O HOH 176 35.806 -2.468 58.296 1.00 40.26 O HETATM 2186 O HOH 177 17.861 -23.378 89.820 1.00 42.61 O HETATM 2187 O HOH 178 26.980 4.279 67.403 1.00 73.10 O HETATM 2188 O HOH 179 10.021 -15.862 62.749 1.00 51.22 O HETATM 2189 O HOH 180 6.469 -0.817 59.357 1.00 43.06 O HETATM 2190 O HOH 181 6.893 -8.317 54.909 1.00 47.93 O HETATM 2191 O HOH 182 30.552 -24.174 90.813 1.00 31.49 O HETATM 2192 O HOH 183 6.217 -11.045 66.248 1.00 50.65 O HETATM 2193 O HOH 184 21.086 3.310 75.351 1.00 37.61 O HETATM 2194 O HOH 185 12.064 -22.093 77.956 1.00 29.55 O HETATM 2195 O HOH 186 8.868 7.147 73.871 1.00 47.86 O HETATM 2196 O HOH 187 2.624 4.540 72.770 1.00 52.86 O HETATM 2197 O HOH 188 28.617 -0.349 58.793 1.00 33.60 O HETATM 2198 O HOH 189 18.609 10.203 66.350 1.00 48.88 O HETATM 2199 O HOH 190 31.210 -23.390 88.148 1.00 33.25 O HETATM 2200 O HOH 191 10.551 -29.701 70.681 1.00 42.34 O HETATM 2201 O HOH 192 35.527 -33.122 74.025 1.00 38.14 O HETATM 2202 O HOH 193 10.903 9.003 70.858 1.00 37.82 O HETATM 2203 O HOH 194 32.861 -15.703 57.746 1.00 50.67 O HETATM 2204 O HOH 195 24.253 -14.154 52.157 1.00 36.18 O HETATM 2205 O HOH 196 8.589 7.928 80.088 1.00 57.27 O HETATM 2206 O HOH 197 29.120 -7.629 89.971 1.00 42.68 O HETATM 2207 O HOH 198 23.164 -34.108 89.361 1.00 43.26 O HETATM 2208 O HOH 199 28.707 -30.921 82.237 1.00 39.09 O HETATM 2209 O HOH 200 36.551 -19.543 62.900 1.00 43.05 O HETATM 2210 O HOH 201 24.704 -29.430 90.575 1.00 53.64 O HETATM 2211 O HOH 202 15.589 9.418 75.702 1.00 37.54 O HETATM 2212 O HOH 203 28.850 4.611 75.608 1.00 42.48 O HETATM 2213 O HOH 204 28.721 -31.318 88.877 1.00 37.61 O HETATM 2214 O HOH 205 11.179 -1.533 85.331 1.00 40.17 O HETATM 2215 O HOH 206 19.265 -4.649 90.004 1.00 28.80 O HETATM 2216 O HOH 207 17.601 -30.095 88.476 1.00 41.40 O HETATM 2217 O HOH 208 25.714 -3.683 86.803 1.00 47.23 O HETATM 2218 O HOH 209 33.612 -34.275 70.441 1.00 45.01 O HETATM 2219 O HOH 210 21.889 -20.130 92.092 1.00 37.29 O HETATM 2220 O HOH 211 37.266 -10.686 72.419 1.00 33.01 O HETATM 2221 O HOH 212 20.103 -29.427 92.154 1.00 46.38 O HETATM 2222 O HOH 213 7.252 -19.161 83.518 1.00 44.15 O HETATM 2223 O HOH 214 34.040 -16.250 60.071 1.00 49.47 O HETATM 2224 O HOH 215 34.868 -31.391 82.011 1.00 49.85 O HETATM 2225 O HOH 216 35.774 -4.661 62.321 1.00 41.95 O HETATM 2226 O HOH 217 17.718 8.697 71.566 1.00 45.01 O HETATM 2227 O HOH 218 28.609 -21.602 93.050 1.00 47.45 O HETATM 2228 O HOH 219 24.333 -19.171 53.922 1.00 39.39 O HETATM 2229 O HOH 220 -0.805 1.112 78.365 1.00 54.33 O HETATM 2230 O HOH 221 16.580 4.415 59.867 1.00 48.94 O HETATM 2231 O HOH 222 42.748 -21.086 67.487 1.00 38.04 O HETATM 2232 O HOH 223 15.641 10.162 72.842 1.00 36.54 O HETATM 2233 O HOH 224 8.861 0.001 84.901 1.00 65.98 O HETATM 2234 O HOH 225 7.266 -26.680 71.692 1.00 59.67 O HETATM 2235 O HOH 226 27.365 0.315 80.842 1.00 43.62 O HETATM 2236 O HOH 227 1.262 -2.156 74.886 1.00 47.34 O HETATM 2237 O HOH 228 7.396 -2.695 84.211 1.00 43.61 O HETATM 2238 O HOH 229 19.701 -6.066 48.787 1.00 57.02 O HETATM 2239 O HOH 230 21.562 1.257 53.812 1.00 40.97 O HETATM 2240 O HOH 231 28.529 -33.163 71.701 1.00 77.78 O HETATM 2241 O HOH 232 10.566 -12.972 62.231 1.00 37.72 O HETATM 2242 O HOH 233 28.054 -15.095 91.768 1.00 38.85 O HETATM 2243 O HOH 234 -0.173 -5.530 76.935 1.00 49.92 O HETATM 2244 O HOH 235 5.236 3.730 84.389 1.00 58.10 O HETATM 2245 O HOH 236 5.426 0.746 63.138 1.00 52.87 O HETATM 2246 O HOH 237 15.148 -15.467 91.167 1.00 52.76 O HETATM 2247 O HOH 238 31.000 -35.627 82.259 1.00 50.13 O HETATM 2248 O HOH 239 10.125 -6.227 51.642 1.00 47.32 O HETATM 2249 O HOH 240 19.612 -14.185 51.715 1.00 46.32 O HETATM 2250 O HOH 241 22.855 -2.354 84.473 1.00 39.03 O HETATM 2251 O HOH 242 31.711 -25.279 86.144 1.00 35.31 O HETATM 2252 O HOH 243 33.492 -11.593 79.310 1.00 12.97 O HETATM 2253 O HOH 244 33.830 -11.539 82.547 1.00 22.18 O HETATM 2254 O HOH 245 35.707 -12.949 78.072 1.00 24.96 O HETATM 2255 O HOH 246 32.381 -17.490 88.374 1.00 25.68 O HETATM 2256 O HOH 247 35.887 -6.299 85.878 1.00 32.81 O HETATM 2257 O HOH 248 29.659 -2.335 79.651 1.00 43.80 O HETATM 2258 O HOH 249 38.169 -12.579 78.803 1.00 32.53 O HETATM 2259 O HOH 250 40.316 -8.630 75.120 1.00 37.99 O HETATM 2260 O HOH 251 37.581 -6.908 66.289 1.00 41.60 O HETATM 2261 O HOH 252 30.234 -9.995 84.332 1.00 41.06 O HETATM 2262 O HOH 253 39.421 -3.179 77.530 1.00 32.50 O HETATM 2263 O HOH 254 33.121 -3.804 83.552 1.00 47.47 O HETATM 2264 O HOH 255 29.921 0.525 78.987 1.00 46.04 O HETATM 2265 O HOH 256 31.969 -11.955 83.044 1.00 21.87 O HETATM 2266 C ACE A 257 32.072 -18.854 85.011 1.00 0.18 C HETATM 2267 O ACE A 257 31.839 -19.111 83.862 1.00 -0.40 O HETATM 2268 CH3 ACE A 257 32.951 -19.790 85.795 1.00 0.03 C HETATM 2269 H ACE A 257 33.064 -19.413 86.822 1.00 0.05 H HETATM 2270 H ACE A 257 33.940 -19.852 85.317 1.00 0.05 H HETATM 2271 H ACE A 257 32.492 -20.790 85.820 1.00 0.05 H HETATM 2272 N ACE A 257 31.605 -17.757 85.593 1.00 -0.27 N HETATM 2273 CA ACE A 257 30.696 -16.835 84.878 1.00 0.13 C HETATM 2274 C ACE A 257 31.443 -15.851 84.040 1.00 0.20 C HETATM 2275 O ACE A 257 32.026 -14.907 84.578 1.00 -0.39 O HETATM 2276 N ACE A 257 31.373 -16.000 82.722 1.00 -0.26 N HETATM 2277 CA ACE A 257 31.937 -15.043 81.821 1.00 0.15 C HETATM 2278 C ACE A 257 30.848 -14.566 80.840 1.00 0.21 C HETATM 2279 O ACE A 257 30.365 -15.344 80.024 1.00 -0.39 O HETATM 2280 N ACE A 257 30.418 -13.317 80.982 1.00 -0.26 N HETATM 2281 CA ACE A 257 29.416 -12.787 80.098 1.00 0.16 C HETATM 2282 C ACE A 257 29.948 -12.697 78.670 1.00 0.21 C HETATM 2283 O ACE A 257 31.165 -12.671 78.379 1.00 -0.39 O HETATM 2284 N ACE A 257 29.050 -12.628 77.714 1.00 -0.26 N HETATM 2285 CA ACE A 257 29.336 -12.762 76.288 1.00 0.13 C HETATM 2286 C ACE A 257 29.179 -11.460 75.465 1.00 0.20 C HETATM 2287 O ACE A 257 28.900 -11.492 74.269 1.00 -0.39 O HETATM 2288 N ACE A 257 29.464 -10.328 76.134 1.00 -0.26 N HETATM 2289 CA ACE A 257 29.569 -9.052 75.398 1.00 0.13 C HETATM 2290 C ACE A 257 30.930 -8.949 74.718 1.00 0.20 C HETATM 2291 O ACE A 257 31.889 -9.612 75.152 1.00 -0.39 O HETATM 2292 N ACE A 257 31.006 -8.195 73.651 1.00 -0.26 N HETATM 2293 CA ACE A 257 32.252 -7.950 72.921 1.00 0.14 C HETATM 2294 C ACE A 257 32.907 -6.628 73.421 1.00 0.21 C HETATM 2295 O ACE A 257 32.191 -5.647 73.579 1.00 -0.39 O HETATM 2296 N ACE A 257 34.251 -6.622 73.607 1.00 -0.25 N HETATM 2297 CA ACE A 257 35.152 -7.748 73.443 1.00 0.13 C HETATM 2298 C ACE A 257 35.089 -8.742 74.601 1.00 0.20 C HETATM 2299 O ACE A 257 35.464 -9.916 74.429 1.00 -0.39 O HETATM 2300 N ACE A 257 34.663 -8.267 75.743 1.00 -0.26 N HETATM 2301 CA ACE A 257 34.405 -9.031 76.930 1.00 0.16 C HETATM 2302 C ACE A 257 33.601 -8.233 77.914 1.00 0.21 C HETATM 2303 O ACE A 257 33.427 -6.975 77.681 1.00 -0.39 O HETATM 2304 N ACE A 257 33.082 -8.785 78.982 1.00 -0.26 N HETATM 2305 CA ACE A 257 32.339 -8.017 79.967 1.00 0.15 C HETATM 2306 C ACE A 257 33.321 -7.107 80.739 1.00 0.21 C HETATM 2307 O ACE A 257 33.104 -5.917 80.905 1.00 -0.39 O HETATM 2308 N ACE A 257 34.448 -7.639 81.147 1.00 -0.26 N HETATM 2309 CA ACE A 257 35.428 -6.891 81.946 1.00 0.14 C HETATM 2310 C ACE A 257 36.101 -5.793 81.105 1.00 0.21 C HETATM 2311 O ACE A 257 36.618 -4.785 81.711 1.00 -0.39 O HETATM 2312 N ACE A 257 36.243 -5.965 79.817 1.00 -0.26 N HETATM 2313 CA ACE A 257 37.020 -5.027 78.985 1.00 0.13 C HETATM 2314 C ACE A 257 36.417 -3.671 78.764 1.00 0.20 C HETATM 2315 O ACE A 257 37.125 -2.743 78.337 1.00 -0.39 O HETATM 2316 N ACE A 257 35.124 -3.527 79.096 1.00 -0.27 N HETATM 2317 CA ACE A 257 34.434 -2.272 78.918 1.00 0.10 C HETATM 2318 C ACE A 257 34.527 -1.477 80.246 1.00 0.06 C HETATM 2319 O ACE A 257 33.861 -0.490 80.491 1.00 -0.57 O HETATM 2320 O1 ACE A 257 35.340 -1.877 81.122 1.00 -0.57 O HETATM 2321 CB ACE A 257 33.009 -2.554 78.386 1.00 -0.00 C HETATM 2322 CG ACE A 257 33.143 -3.204 76.948 1.00 0.04 C HETATM 2323 CD ACE A 257 31.845 -3.334 76.184 1.00 0.18 C HETATM 2324 NZ ACE A 257 30.800 -3.945 76.878 1.00 -0.29 N HETATM 2325 CE ACE A 257 29.396 -4.060 76.519 1.00 0.03 C HETATM 2326 CD ACE A 257 28.856 -5.468 76.777 1.00 -0.03 C HETATM 2327 CG ACE A 257 29.489 -6.520 75.859 1.00 -0.05 C HETATM 2328 CB ACE A 257 29.336 -7.946 76.404 1.00 -0.01 C HETATM 2329 H ACE A 257 30.057 -8.075 77.224 1.00 0.03 H HETATM 2330 H ACE A 257 28.313 -8.052 76.795 1.00 0.03 H HETATM 2331 H ACE A 257 29.004 -6.465 74.873 1.00 0.03 H HETATM 2332 H ACE A 257 30.561 -6.296 75.753 1.00 0.03 H HETATM 2333 H ACE A 257 29.066 -5.740 77.822 1.00 0.03 H HETATM 2334 H ACE A 257 27.769 -5.464 76.611 1.00 0.03 H HETATM 2335 H ACE A 257 28.816 -3.341 77.117 1.00 0.05 H HETATM 2336 H ACE A 257 29.282 -3.825 75.451 1.00 0.05 H HETATM 2337 H ACE A 257 31.054 -4.365 77.749 1.00 0.18 H HETATM 2338 OE2 ACE A 257 31.570 -2.831 75.080 1.00 -0.40 O HETATM 2339 H ACE A 257 33.572 -4.210 77.067 1.00 0.05 H HETATM 2340 H ACE A 257 33.828 -2.581 76.354 1.00 0.05 H HETATM 2341 H ACE A 257 32.443 -1.613 78.319 1.00 0.03 H HETATM 2342 H ACE A 257 32.489 -3.248 79.062 1.00 0.03 H HETATM 2343 H ACE A 257 34.958 -1.686 78.148 1.00 0.07 H HETATM 2344 H ACE A 257 34.627 -4.308 79.475 1.00 0.19 H HETATM 2345 CB ACE A 257 37.293 -5.576 77.627 1.00 0.01 C HETATM 2346 CG ACE A 257 38.173 -6.755 77.597 1.00 0.05 C HETATM 2347 CD ACE A 257 37.521 -8.037 77.224 1.00 0.23 C HETATM 2348 OG ACE A 257 36.412 -8.278 77.958 1.00 -0.27 O HETATM 2349 CB ACE A 257 35.731 -9.478 77.569 1.00 0.12 C HETATM 2350 H ACE A 257 36.335 -10.040 76.841 1.00 0.07 H HETATM 2351 H ACE A 257 35.537 -10.108 78.449 1.00 0.07 H HETATM 2352 OE2 ACE A 257 38.029 -8.832 76.464 1.00 -0.37 O HETATM 2353 H ACE A 257 38.609 -6.877 78.600 1.00 0.05 H HETATM 2354 H ACE A 257 38.975 -6.560 76.870 1.00 0.05 H HETATM 2355 H ACE A 257 37.764 -4.784 77.027 1.00 0.03 H HETATM 2356 H ACE A 257 36.331 -5.857 77.173 1.00 0.03 H HETATM 2357 H ACE A 257 37.981 -4.881 79.500 1.00 0.08 H HETATM 2358 H ACE A 257 35.812 -6.756 79.383 1.00 0.19 H HETATM 2359 CB ACE A 257 36.407 -7.912 82.552 1.00 0.00 C HETATM 2360 CG ACE A 257 37.227 -8.591 81.567 1.00 -0.04 C HETATM 2361 CD1 ACE A 257 37.020 -9.822 81.023 1.00 0.02 C HETATM 2362 NE1 ACE A 257 38.026 -10.119 80.148 1.00 -0.29 N HETATM 2363 CE2 ACE A 257 38.939 -9.111 80.155 1.00 0.06 C HETATM 2364 CD2 ACE A 257 38.468 -8.132 81.060 1.00 -0.02 C HETATM 2365 CE3 ACE A 257 39.217 -6.979 81.250 1.00 -0.07 C HETATM 2366 CZ3 ACE A 257 40.446 -6.851 80.570 1.00 -0.08 C HETATM 2367 CH2 ACE A 257 40.884 -7.860 79.696 1.00 -0.08 C HETATM 2368 CZ2 ACE A 257 40.177 -9.003 79.515 1.00 -0.04 C HETATM 2369 H ACE A 257 40.559 -9.806 78.895 1.00 0.05 H HETATM 2370 H ACE A 257 41.811 -7.721 79.152 1.00 0.05 H HETATM 2371 H ACE A 257 41.057 -5.968 80.723 1.00 0.05 H HETATM 2372 H ACE A 257 38.864 -6.193 81.908 1.00 0.05 H HETATM 2373 H ACE A 257 38.084 -10.972 79.573 1.00 0.22 H HETATM 2374 H ACE A 257 36.178 -10.473 81.252 1.00 0.08 H HETATM 2375 H ACE A 257 35.825 -8.668 83.100 1.00 0.04 H HETATM 2376 H ACE A 257 37.071 -7.383 83.251 1.00 0.04 H HETATM 2377 H ACE A 257 34.901 -6.393 82.773 1.00 0.08 H HETATM 2378 H ACE A 257 34.648 -8.589 80.905 1.00 0.19 H HETATM 2379 CB ACE A 257 31.543 -8.928 80.894 1.00 0.09 C HETATM 2380 CG ACE A 257 30.479 -9.767 80.161 1.00 0.24 C HETATM 2381 OG1 ACE A 257 29.983 -10.608 81.068 1.00 -0.27 O HETATM 2382 CB ACE A 257 28.890 -11.438 80.627 1.00 0.12 C HETATM 2383 CG2 ACE A 257 27.994 -11.621 81.828 1.00 -0.03 C HETATM 2384 H ACE A 257 27.640 -10.639 82.175 1.00 0.03 H HETATM 2385 H ACE A 257 28.558 -12.113 82.634 1.00 0.03 H HETATM 2386 H ACE A 257 27.131 -12.244 81.550 1.00 0.03 H HETATM 2387 H ACE A 257 28.335 -10.933 79.823 1.00 0.07 H HETATM 2388 OD1 ACE A 257 30.244 -9.638 78.998 1.00 -0.37 O HETATM 2389 H ACE A 257 31.038 -8.305 81.646 1.00 0.06 H HETATM 2390 H ACE A 257 32.243 -9.613 81.395 1.00 0.06 H HETATM 2391 H ACE A 257 31.622 -7.374 79.435 1.00 0.08 H HETATM 2392 H ACE A 257 33.201 -9.768 79.125 1.00 0.19 H HETATM 2393 H ACE A 257 33.829 -9.926 76.652 1.00 0.08 H HETATM 2394 H ACE A 257 34.502 -7.281 75.793 1.00 0.19 H HETATM 2395 CB ACE A 257 36.545 -7.097 73.374 1.00 -0.01 C HETATM 2396 CG ACE A 257 36.348 -5.758 73.877 1.00 -0.03 C HETATM 2397 CD ACE A 257 34.934 -5.319 73.778 1.00 0.04 C HETATM 2398 H ACE A 257 34.604 -4.806 74.694 1.00 0.05 H HETATM 2399 H ACE A 257 34.774 -4.661 72.911 1.00 0.05 H HETATM 2400 H ACE A 257 36.974 -5.066 73.295 1.00 0.03 H HETATM 2401 H ACE A 257 36.654 -5.729 74.933 1.00 0.03 H HETATM 2402 H ACE A 257 36.911 -7.072 72.337 1.00 0.03 H HETATM 2403 H ACE A 257 37.262 -7.646 74.002 1.00 0.03 H HETATM 2404 H ACE A 257 34.925 -8.279 72.507 1.00 0.08 H HETATM 2405 CB ACE A 257 32.000 -7.840 71.421 1.00 0.02 C HETATM 2406 CG ACE A 257 33.228 -7.380 70.647 1.00 -0.05 C HETATM 2407 CD1 ACE A 257 33.431 -6.051 70.497 1.00 -0.07 C HETATM 2408 CE1 ACE A 257 34.557 -5.584 69.818 1.00 -0.04 C HETATM 2409 CZ ACE A 257 35.446 -6.445 69.274 1.00 0.08 C HETATM 2410 CE2 ACE A 257 35.279 -7.794 69.390 1.00 -0.04 C HETATM 2411 CD2 ACE A 257 34.149 -8.240 70.124 1.00 -0.07 C HETATM 2412 H ACE A 257 34.013 -9.305 70.275 1.00 0.05 H HETATM 2413 H ACE A 257 35.977 -8.493 68.942 1.00 0.05 H HETATM 2414 OH ACE A 257 36.545 -5.945 68.625 1.00 -0.34 O HETATM 2415 H ACE A 257 36.550 -6.256 67.727 1.00 0.25 H HETATM 2416 H ACE A 257 34.721 -4.516 69.725 1.00 0.05 H HETATM 2417 H ACE A 257 32.716 -5.346 70.906 1.00 0.05 H HETATM 2418 H ACE A 257 31.188 -7.117 71.253 1.00 0.05 H HETATM 2419 H ACE A 257 31.696 -8.827 71.043 1.00 0.05 H HETATM 2420 H ACE A 257 32.941 -8.787 73.106 1.00 0.08 H HETATM 2421 H ACE A 257 30.169 -7.763 73.316 1.00 0.19 H HETATM 2422 H ACE A 257 28.788 -9.006 74.624 1.00 0.08 H HETATM 2423 H ACE A 257 29.604 -10.351 77.124 1.00 0.19 H HETATM 2424 CB ACE A 257 28.601 -13.952 75.695 1.00 -0.01 C HETATM 2425 CG ACE A 257 29.218 -15.228 76.227 1.00 -0.02 C HETATM 2426 CD ACE A 257 28.492 -16.536 75.885 1.00 0.06 C HETATM 2427 NE ACE A 257 29.352 -17.668 76.335 1.00 -0.27 N HETATM 2428 CZ ACE A 257 29.068 -18.945 76.023 1.00 0.29 C HETATM 2429 NH1 ACE A 257 27.928 -19.274 75.426 1.00 -0.28 N HETATM 2430 H ACE A 257 27.732 -20.259 75.197 1.00 0.26 H HETATM 2431 H ACE A 257 27.240 -18.544 75.192 1.00 0.26 H HETATM 2432 NH2 ACE A 257 29.910 -19.888 76.429 1.00 -0.28 N HETATM 2433 H ACE A 257 30.792 -19.626 76.891 1.00 0.26 H HETATM 2434 H ACE A 257 29.681 -20.881 76.282 1.00 0.26 H HETATM 2435 H ACE A 257 30.188 -17.466 76.901 1.00 0.26 H HETATM 2436 H ACE A 257 28.328 -16.600 74.799 1.00 0.07 H HETATM 2437 H ACE A 257 27.523 -16.573 76.405 1.00 0.07 H HETATM 2438 H ACE A 257 29.261 -15.147 77.323 1.00 0.03 H HETATM 2439 H ACE A 257 30.239 -15.298 75.825 1.00 0.03 H HETATM 2440 H ACE A 257 28.688 -13.930 74.599 1.00 0.03 H HETATM 2441 H ACE A 257 27.539 -13.909 75.980 1.00 0.03 H HETATM 2442 H ACE A 257 30.406 -13.011 76.225 1.00 0.08 H HETATM 2443 H ACE A 257 28.099 -12.472 77.983 1.00 0.19 H HETATM 2444 H ACE A 257 28.570 -13.489 80.089 1.00 0.08 H HETATM 2445 H ACE A 257 30.794 -12.742 81.709 1.00 0.19 H HETATM 2446 CB ACE A 257 33.075 -15.633 81.055 1.00 0.08 C HETATM 2447 OG ACE A 257 33.559 -14.797 80.219 1.00 -0.39 O HETATM 2448 H ACE A 257 34.279 -15.201 79.749 1.00 0.21 H HETATM 2449 H ACE A 257 32.718 -16.518 80.509 1.00 0.06 H HETATM 2450 H ACE A 257 33.865 -15.931 81.760 1.00 0.06 H HETATM 2451 H ACE A 257 32.306 -14.183 82.399 1.00 0.08 H HETATM 2452 H ACE A 257 30.912 -16.805 82.349 1.00 0.19 H HETATM 2453 CB ACE A 257 29.689 -16.087 85.774 1.00 -0.00 C HETATM 2454 CG1 ACE A 257 28.784 -17.078 86.544 1.00 -0.05 C HETATM 2455 CD1 ACE A 257 27.895 -16.433 87.596 1.00 -0.06 C HETATM 2456 H ACE A 257 27.290 -17.208 88.090 1.00 0.02 H HETATM 2457 H ACE A 257 27.230 -15.700 87.115 1.00 0.02 H HETATM 2458 H ACE A 257 28.521 -15.925 88.344 1.00 0.02 H HETATM 2459 H ACE A 257 29.429 -17.815 87.044 1.00 0.03 H HETATM 2460 H ACE A 257 28.138 -17.591 85.816 1.00 0.03 H HETATM 2461 CG2 ACE A 257 28.820 -15.137 84.953 1.00 -0.06 C HETATM 2462 H ACE A 257 29.463 -14.432 84.406 1.00 0.02 H HETATM 2463 H ACE A 257 28.152 -14.578 85.625 1.00 0.02 H HETATM 2464 H ACE A 257 28.218 -15.716 84.237 1.00 0.02 H HETATM 2465 H ACE A 257 30.257 -15.494 86.506 1.00 0.03 H HETATM 2466 H ACE A 257 30.103 -17.460 84.194 1.00 0.08 H HETATM 2467 H ACE A 257 31.873 -17.549 86.534 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 58 57 1240 CONECT 223 222 360 CONECT 360 223 359 CONECT 469 468 2010 CONECT 484 483 2010 CONECT 515 514 2010 CONECT 562 560 2010 CONECT 997 996 1872 CONECT 1050 1049 1628 CONECT 1240 58 1239 CONECT 1333 1332 1463 CONECT 1463 1333 1462 CONECT 1554 1553 1746 CONECT 1628 1050 1627 CONECT 1746 1554 1745 CONECT 1872 997 1871 CONECT 2010 469 484 515 562 CONECT 2266 2267 2268 2272 CONECT 2267 2266 CONECT 2268 2266 2269 2270 2271 CONECT 2269 2268 CONECT 2270 2268 CONECT 2271 2268 CONECT 2272 2266 2273 2467 CONECT 2273 2272 2274 2453 2466 CONECT 2274 2273 2275 2276 CONECT 2275 2274 CONECT 2276 2274 2277 2452 CONECT 2277 2276 2278 2446 2451 CONECT 2278 2277 2279 2280 CONECT 2279 2278 CONECT 2280 2278 2281 2445 CONECT 2281 2280 2282 2382 2444 CONECT 2282 2281 2283 2284 CONECT 2283 2282 CONECT 2284 2282 2285 2443 CONECT 2285 2284 2286 2424 2442 CONECT 2286 2285 2287 2288 CONECT 2287 2286 CONECT 2288 2286 2289 2423 CONECT 2289 2288 2290 2328 2422 CONECT 2290 2289 2291 2292 CONECT 2291 2290 CONECT 2292 2290 2293 2421 CONECT 2293 2292 2294 2405 2420 CONECT 2294 2293 2295 2296 CONECT 2295 2294 CONECT 2296 2294 2297 2397 CONECT 2297 2296 2298 2395 2404 CONECT 2298 2297 2299 2300 CONECT 2299 2298 CONECT 2300 2298 2301 2394 CONECT 2301 2300 2302 2349 2393 CONECT 2302 2301 2303 2304 CONECT 2303 2302 CONECT 2304 2302 2305 2392 CONECT 2305 2304 2306 2379 2391 CONECT 2306 2305 2307 2308 CONECT 2307 2306 CONECT 2308 2306 2309 2378 CONECT 2309 2308 2310 2359 2377 CONECT 2310 2309 2311 2312 CONECT 2311 2310 CONECT 2312 2310 2313 2358 CONECT 2313 2312 2314 2345 2357 CONECT 2314 2313 2315 2316 CONECT 2315 2314 CONECT 2316 2314 2317 2344 CONECT 2317 2316 2318 2321 2343 CONECT 2318 2317 2319 2320 CONECT 2319 2318 CONECT 2320 2318 CONECT 2321 2317 2322 2341 2342 CONECT 2322 2321 2323 2339 2340 CONECT 2323 2322 2324 2338 CONECT 2324 2323 2325 2337 CONECT 2325 2324 2326 2335 2336 CONECT 2326 2325 2327 2333 2334 CONECT 2327 2326 2328 2331 2332 CONECT 2328 2289 2327 2329 2330 CONECT 2329 2328 CONECT 2330 2328 CONECT 2331 2327 CONECT 2332 2327 CONECT 2333 2326 CONECT 2334 2326 CONECT 2335 2325 CONECT 2336 2325 CONECT 2337 2324 CONECT 2338 2323 CONECT 2339 2322 CONECT 2340 2322 CONECT 2341 2321 CONECT 2342 2321 CONECT 2343 2317 CONECT 2344 2316 CONECT 2345 2313 2346 2355 2356 CONECT 2346 2345 2347 2353 2354 CONECT 2347 2346 2348 2352 CONECT 2348 2347 2349 CONECT 2349 2301 2348 2350 2351 CONECT 2350 2349 CONECT 2351 2349 CONECT 2352 2347 CONECT 2353 2346 CONECT 2354 2346 CONECT 2355 2345 CONECT 2356 2345 CONECT 2357 2313 CONECT 2358 2312 CONECT 2359 2309 2360 2375 2376 CONECT 2360 2359 2361 2364 CONECT 2361 2360 2362 2374 CONECT 2362 2361 2363 2373 CONECT 2363 2362 2364 2368 CONECT 2364 2360 2363 2365 CONECT 2365 2364 2366 2372 CONECT 2366 2365 2367 2371 CONECT 2367 2366 2368 2370 CONECT 2368 2363 2367 2369 CONECT 2369 2368 CONECT 2370 2367 CONECT 2371 2366 CONECT 2372 2365 CONECT 2373 2362 CONECT 2374 2361 CONECT 2375 2359 CONECT 2376 2359 CONECT 2377 2309 CONECT 2378 2308 CONECT 2379 2305 2380 2389 2390 CONECT 2380 2379 2381 2388 CONECT 2381 2380 2382 CONECT 2382 2281 2381 2383 2387 CONECT 2383 2382 2384 2385 2386 CONECT 2384 2383 CONECT 2385 2383 CONECT 2386 2383 CONECT 2387 2382 CONECT 2388 2380 CONECT 2389 2379 CONECT 2390 2379 CONECT 2391 2305 CONECT 2392 2304 CONECT 2393 2301 CONECT 2394 2300 CONECT 2395 2297 2396 2402 2403 CONECT 2396 2395 2397 2400 2401 CONECT 2397 2296 2396 2398 2399 CONECT 2398 2397 CONECT 2399 2397 CONECT 2400 2396 CONECT 2401 2396 CONECT 2402 2395 CONECT 2403 2395 CONECT 2404 2297 CONECT 2405 2293 2406 2418 2419 CONECT 2406 2405 2407 2411 CONECT 2407 2406 2408 2417 CONECT 2408 2407 2409 2416 CONECT 2409 2408 2410 2414 CONECT 2410 2409 2411 2413 CONECT 2411 2406 2410 2412 CONECT 2412 2411 CONECT 2413 2410 CONECT 2414 2409 2415 CONECT 2415 2414 CONECT 2416 2408 CONECT 2417 2407 CONECT 2418 2405 CONECT 2419 2405 CONECT 2420 2293 CONECT 2421 2292 CONECT 2422 2289 CONECT 2423 2288 CONECT 2424 2285 2425 2440 2441 CONECT 2425 2424 2426 2438 2439 CONECT 2426 2425 2427 2436 2437 CONECT 2427 2426 2428 2435 CONECT 2428 2427 2429 2432 CONECT 2429 2428 2430 2431 CONECT 2430 2429 CONECT 2431 2429 CONECT 2432 2428 2433 2434 CONECT 2433 2432 CONECT 2434 2432 CONECT 2435 2427 CONECT 2436 2426 CONECT 2437 2426 CONECT 2438 2425 CONECT 2439 2425 CONECT 2440 2424 CONECT 2441 2424 CONECT 2442 2285 CONECT 2443 2284 CONECT 2444 2281 CONECT 2445 2280 CONECT 2446 2277 2447 2449 2450 CONECT 2447 2446 2448 CONECT 2448 2447 CONECT 2449 2446 CONECT 2450 2446 CONECT 2451 2277 CONECT 2452 2276 CONECT 2453 2273 2454 2461 2465 CONECT 2454 2453 2455 2459 2460 CONECT 2455 2454 2456 2457 2458 CONECT 2456 2455 CONECT 2457 2455 CONECT 2458 2455 CONECT 2459 2454 CONECT 2460 2454 CONECT 2461 2453 2462 2463 2464 CONECT 2462 2461 CONECT 2463 2461 CONECT 2464 2461 CONECT 2465 2453 CONECT 2466 2273 CONECT 2467 2272 MASTER 0 0 0 0 0 0 0 0 2466 1 223 18 END
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Entry Information
PDB ID
4ktu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bovine Cationic trypsin
Ligand Name
14-mer
EC.Number
E.C.3.4.21.4
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Kd=0.685uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Angew.Chem.Int.Ed.Engl. Vol. 53: pp. 3735-3738
Ligand Properties
Formula
C
6
9
H
9
6
N
1
7
O
2
1
Molecular Weight
1499.600
Exact Mass
1498.700
No. of atoms
203
No. of bonds
209
Polar Surface Area
581.67
LOGP Value
0.85 (
Computed with XLOGP3
)
-1.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 7
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]1[C@@H](C)OC(=O)C[C@@H]2NC(=O)[C@@H]3COC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc2c[nH]c4c2cccc4)C(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC1=O)CCC[NH+]=C(N)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N1[C@H](C(=O)N3)CCC1)C(=O)O)CO)NC(=O)C)C
InChI String
InChI=1S/C69H95N17O21/c1-5-34(2)55(75-36(4)88)65(101)83-49(32-87)62(98)85-56-35(3)107-54(92)30-47-61(97)80-46(29-38-31-74-41-13-7-6-12-40(38)41)60(96)77-44-22-24-53(91)106-33-50(63(99)81-47)84-64(100)51-16-11-27-86(51)67(103)48(28-37-17-19-39(89)20-18-37)82-58(94)42(76-57(93)43(78-66(56)102)15-10-26-73-69(70)71)14-8-9-25-72-52(90)23-21-45(68(104)105)79-59(44)95/h6-7,12-13,17-20,31,34-35,42-51,55-56,74,87,89H,5,8-11,14-16,21-30,32-33H2,1-4H3,(H,72,90)(H,75,88)(H,76,93)(H,77,96)(H,78,102)(H,79,95)(H,80,97)(H,81,99)(H,82,94)(H,83,101)(H,84,100)(H,85,98)(H,104,105)(H4,70,71,73)/p+1/t34-,35+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-/m0/s1
Links to External Databases
RCSB PDB
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UniProtKB AC
UniProt accession number (AC):
B2G3C8
P00760
Entrez Gene ID
NCBI Entrez Gene ID:
615026
780933
ASD
Information of known allosteric effects of PDB entries
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