Browse entries in the PDBbind-CN Database
HEADER 6DTN_COMPLEX COMPND 6DTN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 233 HIS HIS SER SER GLY LEU VAL PRO ARG GLY SER THR SER SEQRES 2 B 233 GLU VAL ILE GLU ASP GLU LYS GLN PHE TYR SER LYS ALA SEQRES 3 B 233 LYS THR TYR TRP LYS GLN ILE PRO PRO THR VAL ASP GLY SEQRES 4 B 233 MET LEU GLY GLY TYR GLY HIS ILE SER SER ILE ASP ILE SEQRES 5 B 233 ASN SER SER ARG LYS PHE LEU GLN ARG PHE LEU ARG GLU SEQRES 6 B 233 GLY PRO ASN LYS THR GLY THR SER CYS ALA LEU ASP CYS SEQRES 7 B 233 GLY ALA GLY ILE GLY ARG ILE THR LYS ARG LEU LEU LEU SEQRES 8 B 233 PRO LEU PHE ARG GLU VAL ASP MET VAL ASP ILE THR GLU SEQRES 9 B 233 ASP PHE LEU VAL GLN ALA LYS THR TYR LEU GLY GLU GLU SEQRES 10 B 233 GLY LYS ARG VAL ARG ASN TYR PHE CYS CYS GLY LEU GLN SEQRES 11 B 233 ASP PHE THR PRO GLU PRO ASP SER TYR ASP VAL ILE TRP SEQRES 12 B 233 ILE GLN TRP VAL ILE GLY HIS LEU THR ASP GLN HIS LEU SEQRES 13 B 233 ALA GLU PHE LEU ARG ARG CYS LYS GLY SER LEU ARG PRO SEQRES 14 B 233 ASN GLY ILE ILE VAL ILE LYS ASP ASN MET ALA GLN GLU SEQRES 15 B 233 GLY VAL ILE LEU ASP ASP VAL ASP SER SER VAL CYS ARG SEQRES 16 B 233 ASP LEU ASP VAL VAL ARG ARG ILE ILE CYS SER ALA GLY SEQRES 17 B 233 LEU SER LEU LEU ALA GLU GLU ARG GLN GLU ASN LEU PRO SEQRES 18 B 233 ASP GLU ILE TYR HIS VAL TYR SER PHE ALA LEU ARG HET MOL A 483 163 ATOM 1 N HIS B -9 35.701 5.224 26.028 1.00 83.82 N ATOM 2 CA HIS B -9 34.872 4.907 24.821 1.00 84.21 C ATOM 3 C HIS B -9 33.781 3.917 25.200 1.00 78.94 C ATOM 4 O HIS B -9 34.065 2.868 25.784 1.00 78.08 O ATOM 5 CB HIS B -9 35.734 4.334 23.702 1.00 61.06 C ATOM 6 HN3 HIS B -9 36.135 4.350 26.388 1.00 0.00 H ATOM 7 HN2 HIS B -9 35.095 5.640 26.764 1.00 0.00 H ATOM 8 HN1 HIS B -9 36.446 5.901 25.767 1.00 0.00 H ATOM 9 N HIS B -8 32.535 4.246 24.872 1.00 74.66 N ATOM 10 CA HIS B -8 31.434 3.349 25.189 1.00 71.35 C ATOM 11 C HIS B -8 31.613 2.034 24.437 1.00 66.18 C ATOM 12 O HIS B -8 31.659 2.006 23.200 1.00 45.43 O ATOM 13 CB HIS B -8 30.094 3.999 24.857 1.00 67.06 C ATOM 14 CG HIS B -8 29.092 3.874 25.962 1.00 75.99 C ATOM 15 ND1 HIS B -8 27.994 3.045 25.881 1.00 78.42 N ATOM 16 CD2 HIS B -8 29.040 4.450 27.186 1.00 76.70 C ATOM 17 CE1 HIS B -8 27.298 3.130 27.001 1.00 85.12 C ATOM 18 NE2 HIS B -8 27.912 3.974 27.811 1.00 90.34 N ATOM 19 H HIS B -8 32.347 5.147 24.388 1.00 0.00 H ATOM 20 N SER B -7 31.740 0.943 25.196 1.00 57.76 N ATOM 21 CA SER B -7 32.035 -0.360 24.612 1.00 59.43 C ATOM 22 C SER B -7 30.917 -0.876 23.712 1.00 50.22 C ATOM 23 O SER B -7 31.152 -1.822 22.951 1.00 44.55 O ATOM 24 CB SER B -7 32.359 -1.367 25.726 1.00 70.64 C ATOM 25 OG SER B -7 31.323 -1.448 26.688 1.00 51.03 O ATOM 26 HG SER B -7 31.572 -2.106 27.385 1.00 0.00 H ATOM 27 H SER B -7 31.626 1.024 26.227 1.00 0.00 H ATOM 28 N SER B -6 29.720 -0.281 23.768 1.00 37.09 N ATOM 29 CA SER B -6 28.619 -0.665 22.894 1.00 29.78 C ATOM 30 C SER B -6 28.697 -0.005 21.523 1.00 30.40 C ATOM 31 O SER B -6 27.891 -0.353 20.631 1.00 28.02 O ATOM 32 CB SER B -6 27.312 -0.222 23.547 1.00 40.02 C ATOM 33 OG SER B -6 27.255 1.205 23.570 1.00 39.98 O ATOM 34 HG SER B -6 28.021 1.556 24.089 1.00 0.00 H ATOM 35 H SER B -6 29.570 0.482 24.459 1.00 0.00 H ATOM 36 N GLY B -5 29.600 0.966 21.348 1.00 28.48 N ATOM 37 CA GLY B -5 29.691 1.725 20.098 1.00 24.77 C ATOM 38 C GLY B -5 28.616 2.772 19.870 1.00 25.94 C ATOM 39 O GLY B -5 28.556 3.347 18.774 1.00 24.23 O ATOM 40 H GLY B -5 30.257 1.189 22.122 1.00 0.00 H ATOM 41 N LEU B -4 27.758 3.019 20.863 1.00 30.72 N ATOM 42 CA LEU B -4 26.657 3.962 20.720 1.00 29.08 C ATOM 43 C LEU B -4 27.122 5.283 20.125 1.00 25.20 C ATOM 44 O LEU B -4 28.132 5.831 20.548 1.00 27.56 O ATOM 45 CB LEU B -4 26.140 4.273 22.137 1.00 33.26 C ATOM 46 CG LEU B -4 24.744 3.834 22.530 1.00 70.43 C ATOM 47 CD1 LEU B -4 24.612 3.911 24.044 1.00 73.78 C ATOM 48 CD2 LEU B -4 23.717 4.711 21.848 1.00 48.77 C ATOM 49 H LEU B -4 27.880 2.522 21.768 1.00 0.00 H ATOM 50 N VAL B -3 26.352 5.800 19.179 1.00 23.04 N ATOM 51 CA VAL B -3 26.510 7.159 18.630 1.00 22.59 C ATOM 52 C VAL B -3 25.150 7.714 18.426 1.00 26.74 C ATOM 53 O VAL B -3 24.192 6.966 18.161 1.00 23.48 O ATOM 54 CB VAL B -3 27.216 7.219 17.256 1.00 37.49 C ATOM 55 CG1 VAL B -3 28.522 7.987 17.266 1.00 33.90 C ATOM 56 CG2 VAL B -3 27.204 5.923 16.527 1.00 36.15 C ATOM 57 H VAL B -3 25.586 5.208 18.799 1.00 0.00 H ATOM 58 N PRO B -2 25.011 9.047 18.373 1.00 23.44 N ATOM 59 CA PRO B -2 23.723 9.633 17.995 1.00 25.20 C ATOM 60 C PRO B -2 23.291 9.191 16.600 1.00 26.19 C ATOM 61 O PRO B -2 24.110 8.847 15.743 1.00 26.32 O ATOM 62 CB PRO B -2 23.997 11.137 18.035 1.00 24.62 C ATOM 63 CG PRO B -2 25.119 11.266 19.065 1.00 22.91 C ATOM 64 CD PRO B -2 25.998 10.067 18.783 1.00 25.92 C ATOM 65 N ARG B -1 21.978 9.190 16.390 1.00 25.69 N ATOM 66 CA ARG B -1 21.415 8.836 15.098 1.00 26.97 C ATOM 67 C ARG B -1 21.608 9.956 14.089 1.00 31.24 C ATOM 68 O ARG B -1 21.485 11.139 14.410 1.00 29.42 O ATOM 69 CB ARG B -1 19.933 8.504 15.260 1.00 32.02 C ATOM 70 CG ARG B -1 19.694 7.303 16.172 1.00 43.26 C ATOM 71 CD ARG B -1 18.212 6.885 16.209 1.00 48.67 C ATOM 72 NE ARG B -1 17.768 6.484 14.884 1.00 42.21 N ATOM 73 CZ ARG B -1 17.906 5.252 14.383 1.00 49.74 C ATOM 74 NH1 ARG B -1 17.483 4.989 13.159 1.00 54.62 N ATOM 75 NH2 ARG B -1 18.444 4.281 15.105 1.00 39.37 N ATOM 76 HE ARG B -1 17.313 7.203 14.286 1.00 0.00 H ATOM 77 HH12 ARG B -1 17.589 4.032 12.767 1.00 0.00 H ATOM 78 HH11 ARG B -1 17.044 5.739 12.588 1.00 0.00 H ATOM 79 HH22 ARG B -1 18.545 3.328 14.702 1.00 0.00 H ATOM 80 HH21 ARG B -1 18.766 4.472 16.075 1.00 0.00 H ATOM 81 H ARG B -1 21.339 9.449 17.169 1.00 0.00 H ATOM 82 N GLY B 0 21.929 9.580 12.861 1.00 29.13 N ATOM 83 CA GLY B 0 22.090 10.552 11.805 1.00 29.48 C ATOM 84 C GLY B 0 21.127 10.261 10.680 1.00 54.72 C ATOM 85 O GLY B 0 19.921 10.467 10.832 1.00 49.20 O ATOM 86 H GLY B 0 22.067 8.570 12.654 1.00 0.00 H ATOM 87 N SER B 1 21.656 9.744 9.567 1.00 77.93 N ATOM 88 CA SER B 1 20.880 9.438 8.375 1.00 74.11 C ATOM 89 C SER B 1 20.403 7.985 8.392 1.00 70.06 C ATOM 90 O SER B 1 20.879 7.140 9.158 1.00 67.58 O ATOM 91 CB SER B 1 21.699 9.710 7.107 1.00 58.60 C ATOM 92 H SER B 1 22.678 9.550 9.552 1.00 0.00 H ATOM 93 N THR B 2 19.456 7.703 7.507 1.00 66.70 N ATOM 94 CA THR B 2 18.733 6.442 7.495 1.00 64.18 C ATOM 95 C THR B 2 18.557 6.017 6.047 1.00 60.69 C ATOM 96 O THR B 2 18.348 6.852 5.159 1.00 58.38 O ATOM 97 CB THR B 2 17.357 6.627 8.181 1.00 67.11 C ATOM 98 OG1 THR B 2 16.841 5.367 8.634 1.00 73.82 O ATOM 99 CG2 THR B 2 16.348 7.264 7.229 1.00 67.69 C ATOM 100 HG1 THR B 2 15.963 5.508 9.068 1.00 0.00 H ATOM 101 H THR B 2 19.220 8.417 6.789 1.00 0.00 H ATOM 102 N SER B 3 18.679 4.721 5.806 1.00 65.46 N ATOM 103 CA SER B 3 18.218 4.150 4.544 1.00 58.79 C ATOM 104 C SER B 3 16.706 4.063 4.697 1.00 67.66 C ATOM 105 O SER B 3 16.176 3.079 5.229 1.00 54.01 O ATOM 106 CB SER B 3 18.833 2.777 4.314 1.00 52.65 C ATOM 107 OG SER B 3 20.230 2.860 4.069 1.00 46.97 O ATOM 108 HG SER B 3 20.677 3.275 4.849 1.00 0.00 H ATOM 109 H SER B 3 19.108 4.103 6.524 1.00 0.00 H ATOM 110 N GLU B 4 15.999 5.111 4.273 1.00 65.66 N ATOM 111 CA GLU B 4 14.542 5.078 4.325 1.00 65.74 C ATOM 112 C GLU B 4 13.962 4.015 3.390 1.00 46.62 C ATOM 113 O GLU B 4 12.754 3.778 3.387 1.00 44.75 O ATOM 114 CB GLU B 4 13.928 6.445 4.036 1.00 63.61 C ATOM 115 CG GLU B 4 13.415 7.143 5.298 1.00 86.08 C ATOM 116 CD GLU B 4 11.927 7.467 5.243 1.00 94.69 C ATOM 117 OE1 GLU B 4 11.476 8.044 4.227 1.00 94.33 O ATOM 118 OE2 GLU B 4 11.210 7.141 6.216 1.00 89.28 O ATOM 119 H GLU B 4 16.487 5.952 3.905 1.00 0.00 H ATOM 120 N VAL B 5 14.818 3.360 2.599 1.00 43.43 N ATOM 121 CA VAL B 5 14.385 2.197 1.845 1.00 39.70 C ATOM 122 C VAL B 5 14.163 0.983 2.736 1.00 32.35 C ATOM 123 O VAL B 5 13.551 0.011 2.293 1.00 39.28 O ATOM 124 CB VAL B 5 15.370 1.902 0.688 1.00 58.23 C ATOM 125 CG1 VAL B 5 15.903 3.199 0.090 1.00 50.77 C ATOM 126 CG2 VAL B 5 16.504 1.047 1.153 1.00 47.23 C ATOM 127 H VAL B 5 15.803 3.686 2.523 1.00 0.00 H ATOM 128 N ILE B 6 14.638 1.011 3.980 1.00 44.50 N ATOM 129 CA ILE B 6 14.390 -0.085 4.915 1.00 41.37 C ATOM 130 C ILE B 6 13.134 0.262 5.712 1.00 32.47 C ATOM 131 O ILE B 6 13.187 1.047 6.651 1.00 42.41 O ATOM 132 CB ILE B 6 15.594 -0.358 5.822 1.00 33.82 C ATOM 133 CG1 ILE B 6 16.797 -0.784 4.986 1.00 35.79 C ATOM 134 CG2 ILE B 6 15.215 -1.417 6.848 1.00 37.96 C ATOM 135 CD1 ILE B 6 18.049 -1.059 5.777 1.00 29.32 C ATOM 136 H ILE B 6 15.197 1.830 4.293 1.00 0.00 H ATOM 137 N GLU B 7 12.013 -0.372 5.366 1.00 40.39 N ATOM 138 CA GLU B 7 10.732 -0.006 5.962 1.00 49.27 C ATOM 139 C GLU B 7 10.547 -0.596 7.351 1.00 40.51 C ATOM 140 O GLU B 7 10.031 0.077 8.249 1.00 46.75 O ATOM 141 CB GLU B 7 9.588 -0.488 5.071 1.00 48.10 C ATOM 142 CG GLU B 7 9.513 0.222 3.737 1.00 62.54 C ATOM 143 CD GLU B 7 8.472 -0.384 2.816 1.00 83.22 C ATOM 144 OE1 GLU B 7 7.949 -1.476 3.142 1.00 79.74 O ATOM 145 OE2 GLU B 7 8.174 0.230 1.766 1.00 77.77 O ATOM 146 H GLU B 7 12.052 -1.137 4.663 1.00 0.00 H ATOM 147 N ASP B 8 10.937 -1.856 7.547 1.00 32.76 N ATOM 148 CA ASP B 8 10.716 -2.578 8.800 1.00 29.30 C ATOM 149 C ASP B 8 12.043 -3.227 9.163 1.00 30.40 C ATOM 150 O ASP B 8 12.436 -4.215 8.545 1.00 30.36 O ATOM 151 CB ASP B 8 9.625 -3.640 8.608 1.00 41.21 C ATOM 152 CG ASP B 8 9.311 -4.436 9.873 1.00 39.34 C ATOM 153 OD1 ASP B 8 10.207 -4.734 10.685 1.00 39.52 O ATOM 154 OD2 ASP B 8 8.133 -4.824 10.039 1.00 68.64 O ATOM 155 H ASP B 8 11.422 -2.350 6.771 1.00 0.00 H ATOM 156 N GLU B 9 12.719 -2.685 10.169 1.00 31.55 N ATOM 157 CA GLU B 9 14.052 -3.173 10.501 1.00 28.30 C ATOM 158 C GLU B 9 14.038 -4.635 10.943 1.00 31.94 C ATOM 159 O GLU B 9 14.915 -5.418 10.551 1.00 26.99 O ATOM 160 CB GLU B 9 14.631 -2.270 11.577 1.00 36.32 C ATOM 161 CG GLU B 9 15.910 -2.730 12.192 1.00 41.81 C ATOM 162 CD GLU B 9 16.464 -1.665 13.121 1.00 40.23 C ATOM 163 OE1 GLU B 9 16.269 -0.460 12.816 1.00 45.48 O ATOM 164 OE2 GLU B 9 17.056 -2.038 14.143 1.00 35.63 O ATOM 165 H GLU B 9 12.297 -1.911 10.721 1.00 0.00 H ATOM 166 N LYS B 10 13.070 -5.028 11.772 1.00 27.87 N ATOM 167 CA LYS B 10 13.031 -6.404 12.244 1.00 25.45 C ATOM 168 C LYS B 10 12.930 -7.375 11.079 1.00 29.03 C ATOM 169 O LYS B 10 13.602 -8.415 11.062 1.00 25.36 O ATOM 170 CB LYS B 10 11.841 -6.609 13.181 1.00 34.61 C ATOM 171 CG LYS B 10 12.175 -6.462 14.648 1.00 47.22 C ATOM 172 CD LYS B 10 10.921 -6.604 15.531 1.00 63.51 C ATOM 173 CE LYS B 10 10.295 -8.009 15.463 1.00 67.81 C ATOM 174 NZ LYS B 10 11.070 -9.031 16.228 1.00 75.84 N ATOM 175 HZ1 LYS B 10 12.033 -9.095 15.841 1.00 0.00 H ATOM 176 HZ2 LYS B 10 11.115 -8.753 17.229 1.00 0.00 H ATOM 177 HZ3 LYS B 10 10.600 -9.955 16.145 1.00 0.00 H ATOM 178 H LYS B 10 12.343 -4.351 12.081 1.00 0.00 H ATOM 179 N GLN B 11 12.088 -7.065 10.101 1.00 27.61 N ATOM 180 CA GLN B 11 11.954 -7.929 8.934 1.00 25.45 C ATOM 181 C GLN B 11 13.193 -7.878 8.048 1.00 24.04 C ATOM 182 O GLN B 11 13.527 -8.864 7.391 1.00 24.64 O ATOM 183 CB GLN B 11 10.720 -7.546 8.115 1.00 33.99 C ATOM 184 CG GLN B 11 9.408 -7.861 8.803 1.00 35.12 C ATOM 185 CD GLN B 11 8.205 -7.570 7.912 1.00 60.29 C ATOM 186 OE1 GLN B 11 8.300 -7.613 6.682 1.00 66.19 O ATOM 187 NE2 GLN B 11 7.069 -7.270 8.532 1.00 66.18 N ATOM 188 HE22 GLN B 11 7.035 -7.245 9.571 1.00 0.00 H ATOM 189 HE21 GLN B 11 6.214 -7.060 7.978 1.00 0.00 H ATOM 190 H GLN B 11 11.518 -6.197 10.168 1.00 0.00 H ATOM 191 N PHE B 12 13.856 -6.726 7.972 1.00 23.11 N ATOM 192 CA PHE B 12 15.091 -6.622 7.193 1.00 22.92 C ATOM 193 C PHE B 12 16.117 -7.628 7.685 1.00 23.41 C ATOM 194 O PHE B 12 16.767 -8.304 6.881 1.00 23.94 O ATOM 195 CB PHE B 12 15.621 -5.194 7.343 1.00 22.61 C ATOM 196 CG PHE B 12 16.977 -4.962 6.744 1.00 23.04 C ATOM 197 CD1 PHE B 12 17.149 -4.917 5.366 1.00 21.56 C ATOM 198 CD2 PHE B 12 18.082 -4.758 7.560 1.00 24.01 C ATOM 199 CE1 PHE B 12 18.399 -4.684 4.822 1.00 21.45 C ATOM 200 CE2 PHE B 12 19.341 -4.525 7.016 1.00 21.56 C ATOM 201 CZ PHE B 12 19.485 -4.485 5.642 1.00 24.29 C ATOM 202 H PHE B 12 13.492 -5.890 8.472 1.00 0.00 H ATOM 203 N TYR B 13 16.229 -7.786 8.996 1.00 24.01 N ATOM 204 CA TYR B 13 17.154 -8.752 9.574 1.00 20.10 C ATOM 205 C TYR B 13 16.625 -10.178 9.501 1.00 21.58 C ATOM 206 O TYR B 13 17.392 -11.103 9.198 1.00 21.97 O ATOM 207 CB TYR B 13 17.491 -8.369 11.018 1.00 22.51 C ATOM 208 CG TYR B 13 18.477 -7.199 11.135 1.00 22.52 C ATOM 209 CD1 TYR B 13 19.758 -7.294 10.628 1.00 21.32 C ATOM 210 CD2 TYR B 13 18.115 -6.017 11.750 1.00 22.78 C ATOM 211 CE1 TYR B 13 20.652 -6.234 10.735 1.00 22.53 C ATOM 212 CE2 TYR B 13 19.028 -4.940 11.855 1.00 19.00 C ATOM 213 CZ TYR B 13 20.260 -5.061 11.334 1.00 20.52 C ATOM 214 OH TYR B 13 21.202 -4.035 11.423 1.00 21.04 O ATOM 215 HH TYR B 13 21.382 -3.835 12.376 1.00 0.00 H ATOM 216 H TYR B 13 15.642 -7.206 9.628 1.00 0.00 H ATOM 217 N SER B 14 15.334 -10.399 9.821 1.00 23.23 N ATOM 218 CA SER B 14 14.843 -11.788 9.838 1.00 20.97 C ATOM 219 C SER B 14 14.810 -12.393 8.432 1.00 20.85 C ATOM 220 O SER B 14 15.103 -13.593 8.253 1.00 22.84 O ATOM 221 CB SER B 14 13.460 -11.854 10.501 1.00 27.38 C ATOM 222 OG SER B 14 12.520 -11.130 9.740 1.00 30.23 O ATOM 223 HG SER B 14 12.463 -11.519 8.831 1.00 0.00 H ATOM 224 H SER B 14 14.700 -9.607 10.050 1.00 0.00 H ATOM 225 N LYS B 15 14.481 -11.598 7.426 1.00 21.67 N ATOM 226 CA LYS B 15 14.468 -12.115 6.061 1.00 22.13 C ATOM 227 C LYS B 15 15.875 -12.514 5.606 1.00 21.36 C ATOM 228 O LYS B 15 16.058 -13.522 4.912 1.00 23.02 O ATOM 229 CB LYS B 15 13.850 -11.067 5.143 1.00 25.00 C ATOM 230 CG LYS B 15 13.644 -11.548 3.745 1.00 41.96 C ATOM 231 CD LYS B 15 12.878 -10.515 2.936 1.00 55.81 C ATOM 232 CE LYS B 15 12.715 -10.962 1.498 1.00 55.74 C ATOM 233 NZ LYS B 15 12.014 -9.904 0.694 1.00 58.39 N ATOM 234 HZ1 LYS B 15 11.074 -9.727 1.102 1.00 0.00 H ATOM 235 HZ2 LYS B 15 12.573 -9.027 0.714 1.00 0.00 H ATOM 236 HZ3 LYS B 15 11.911 -10.228 -0.289 1.00 0.00 H ATOM 237 H LYS B 15 14.232 -10.605 7.608 1.00 0.00 H ATOM 238 N ALA B 16 16.879 -11.724 5.968 1.00 21.35 N ATOM 239 CA ALA B 16 18.246 -12.071 5.609 1.00 21.32 C ATOM 240 C ALA B 16 18.712 -13.335 6.317 1.00 19.61 C ATOM 241 O ALA B 16 19.434 -14.148 5.724 1.00 19.24 O ATOM 242 CB ALA B 16 19.179 -10.911 5.961 1.00 20.30 C ATOM 243 H ALA B 16 16.688 -10.856 6.509 1.00 0.00 H ATOM 244 N LYS B 17 18.374 -13.485 7.594 1.00 20.51 N ATOM 245 CA LYS B 17 18.798 -14.667 8.327 1.00 18.87 C ATOM 246 C LYS B 17 18.170 -15.910 7.712 1.00 22.47 C ATOM 247 O LYS B 17 18.859 -16.920 7.476 1.00 21.17 O ATOM 248 CB LYS B 17 18.410 -14.518 9.802 1.00 21.19 C ATOM 249 CG LYS B 17 18.896 -15.645 10.689 1.00 24.76 C ATOM 250 CD LYS B 17 18.551 -15.398 12.172 1.00 28.07 C ATOM 251 CE LYS B 17 19.079 -16.575 13.060 1.00 36.66 C ATOM 252 NZ LYS B 17 19.091 -16.231 14.493 1.00 71.53 N ATOM 253 HZ1 LYS B 17 19.709 -15.409 14.646 1.00 0.00 H ATOM 254 HZ2 LYS B 17 18.125 -16.002 14.801 1.00 0.00 H ATOM 255 HZ3 LYS B 17 19.448 -17.041 15.040 1.00 0.00 H ATOM 256 H LYS B 17 17.805 -12.756 8.070 1.00 0.00 H ATOM 257 N THR B 18 16.877 -15.829 7.382 1.00 21.61 N ATOM 258 CA THR B 18 16.194 -16.929 6.695 1.00 19.69 C ATOM 259 C THR B 18 16.850 -17.259 5.361 1.00 22.79 C ATOM 260 O THR B 18 17.050 -18.435 5.023 1.00 21.39 O ATOM 261 CB THR B 18 14.734 -16.531 6.494 1.00 23.66 C ATOM 262 OG1 THR B 18 14.123 -16.403 7.775 1.00 24.77 O ATOM 263 CG2 THR B 18 13.960 -17.563 5.671 1.00 26.20 C ATOM 264 HG1 THR B 18 13.174 -16.145 7.662 1.00 0.00 H ATOM 265 H THR B 18 16.345 -14.967 7.618 1.00 0.00 H ATOM 266 N TYR B 19 17.152 -16.233 4.557 1.00 19.72 N ATOM 267 CA TYR B 19 17.787 -16.441 3.261 1.00 22.22 C ATOM 268 C TYR B 19 19.080 -17.234 3.410 1.00 22.15 C ATOM 269 O TYR B 19 19.270 -18.270 2.768 1.00 20.15 O ATOM 270 CB TYR B 19 18.019 -15.088 2.581 1.00 22.35 C ATOM 271 CG TYR B 19 18.838 -15.190 1.322 1.00 21.97 C ATOM 272 CD1 TYR B 19 18.251 -15.527 0.100 1.00 28.41 C ATOM 273 CD2 TYR B 19 20.205 -15.006 1.357 1.00 22.41 C ATOM 274 CE1 TYR B 19 19.031 -15.663 -1.046 1.00 27.48 C ATOM 275 CE2 TYR B 19 20.976 -15.141 0.217 1.00 24.13 C ATOM 276 CZ TYR B 19 20.383 -15.445 -0.975 1.00 26.00 C ATOM 277 OH TYR B 19 21.210 -15.570 -2.093 1.00 32.19 O ATOM 278 HH TYR B 19 20.660 -15.790 -2.886 1.00 0.00 H ATOM 279 H TYR B 19 16.929 -15.265 4.864 1.00 0.00 H ATOM 280 N TRP B 20 19.982 -16.771 4.252 1.00 19.56 N ATOM 281 CA TRP B 20 21.284 -17.424 4.322 1.00 16.88 C ATOM 282 C TRP B 20 21.194 -18.820 4.925 1.00 19.24 C ATOM 283 O TRP B 20 22.046 -19.659 4.646 1.00 19.31 O ATOM 284 CB TRP B 20 22.286 -16.539 5.064 1.00 16.93 C ATOM 285 CG TRP B 20 22.713 -15.342 4.212 1.00 19.27 C ATOM 286 CD1 TRP B 20 22.411 -14.015 4.383 1.00 19.55 C ATOM 287 CD2 TRP B 20 23.508 -15.422 3.039 1.00 17.65 C ATOM 288 NE1 TRP B 20 22.970 -13.274 3.390 1.00 21.47 N ATOM 289 CE2 TRP B 20 23.659 -14.113 2.541 1.00 18.03 C ATOM 290 CE3 TRP B 20 24.119 -16.480 2.362 1.00 20.24 C ATOM 291 CZ2 TRP B 20 24.390 -13.843 1.389 1.00 25.63 C ATOM 292 CZ3 TRP B 20 24.826 -16.220 1.225 1.00 22.61 C ATOM 293 CH2 TRP B 20 24.964 -14.906 0.744 1.00 25.52 C ATOM 294 HE1 TRP B 20 22.891 -12.242 3.288 1.00 0.00 H ATOM 295 H TRP B 20 19.769 -15.953 4.857 1.00 0.00 H ATOM 296 N LYS B 21 20.210 -19.088 5.777 1.00 19.19 N ATOM 297 CA LYS B 21 20.088 -20.411 6.383 1.00 19.95 C ATOM 298 C LYS B 21 19.792 -21.507 5.359 1.00 25.33 C ATOM 299 O LYS B 21 20.064 -22.681 5.644 1.00 20.39 O ATOM 300 CB LYS B 21 18.976 -20.371 7.432 1.00 24.95 C ATOM 301 CG LYS B 21 19.090 -21.455 8.468 1.00 49.83 C ATOM 302 CD LYS B 21 18.403 -21.050 9.782 1.00 59.59 C ATOM 303 CE LYS B 21 16.895 -21.079 9.656 1.00 60.47 C ATOM 304 NZ LYS B 21 16.287 -22.114 10.559 1.00 60.47 N ATOM 305 HZ1 LYS B 21 16.657 -23.053 10.307 1.00 0.00 H ATOM 306 HZ2 LYS B 21 16.531 -21.897 11.546 1.00 0.00 H ATOM 307 HZ3 LYS B 21 15.253 -22.106 10.447 1.00 0.00 H ATOM 308 H LYS B 21 19.519 -18.348 6.015 1.00 0.00 H ATOM 309 N GLN B 22 19.282 -21.162 4.185 1.00 20.51 N ATOM 310 CA GLN B 22 18.975 -22.157 3.146 1.00 22.15 C ATOM 311 C GLN B 22 19.935 -22.126 1.968 1.00 20.61 C ATOM 312 O GLN B 22 19.754 -22.875 1.000 1.00 21.73 O ATOM 313 CB GLN B 22 17.513 -22.055 2.685 1.00 22.55 C ATOM 314 CG GLN B 22 17.036 -20.673 2.305 1.00 31.90 C ATOM 315 CD GLN B 22 17.170 -20.349 0.807 1.00 36.45 C ATOM 316 OE1 GLN B 22 16.649 -21.088 -0.053 1.00 36.89 O ATOM 317 NE2 GLN B 22 17.852 -19.220 0.485 1.00 26.17 N ATOM 318 HE22 GLN B 22 18.270 -18.633 1.235 1.00 0.00 H ATOM 319 HE21 GLN B 22 17.956 -18.942 -0.512 1.00 0.00 H ATOM 320 H GLN B 22 19.093 -20.158 3.993 1.00 0.00 H ATOM 321 N ILE B 23 21.001 -21.319 2.033 1.00 21.92 N ATOM 322 CA ILE B 23 21.962 -21.243 0.930 1.00 19.91 C ATOM 323 C ILE B 23 22.988 -22.360 1.098 1.00 18.81 C ATOM 324 O ILE B 23 23.418 -22.637 2.230 1.00 19.46 O ATOM 325 CB ILE B 23 22.630 -19.851 0.878 1.00 20.17 C ATOM 326 CG1 ILE B 23 21.636 -18.785 0.372 1.00 21.00 C ATOM 327 CG2 ILE B 23 23.930 -19.858 0.081 1.00 22.59 C ATOM 328 CD1 ILE B 23 21.202 -19.014 -1.072 1.00 20.89 C ATOM 329 H ILE B 23 21.150 -20.736 2.881 1.00 0.00 H ATOM 330 N PRO B 24 23.414 -23.025 0.033 1.00 19.99 N ATOM 331 CA PRO B 24 24.395 -24.100 0.179 1.00 19.33 C ATOM 332 C PRO B 24 25.731 -23.583 0.681 1.00 20.95 C ATOM 333 O PRO B 24 26.172 -22.494 0.280 1.00 20.60 O ATOM 334 CB PRO B 24 24.514 -24.673 -1.244 1.00 24.45 C ATOM 335 CG PRO B 24 23.898 -23.709 -2.116 1.00 32.78 C ATOM 336 CD PRO B 24 22.909 -22.925 -1.346 1.00 23.60 C ATOM 337 N PRO B 25 26.379 -24.323 1.585 1.00 20.73 N ATOM 338 CA PRO B 25 27.654 -23.862 2.206 1.00 18.35 C ATOM 339 C PRO B 25 28.836 -24.133 1.285 1.00 19.12 C ATOM 340 O PRO B 25 29.691 -25.017 1.508 1.00 24.73 O ATOM 341 CB PRO B 25 27.710 -24.661 3.511 1.00 20.67 C ATOM 342 CG PRO B 25 27.027 -25.935 3.168 1.00 33.06 C ATOM 343 CD PRO B 25 25.892 -25.558 2.247 1.00 25.51 C ATOM 344 N THR B 26 28.880 -23.389 0.191 1.00 19.41 N ATOM 345 CA THR B 26 29.858 -23.549 -0.870 1.00 19.32 C ATOM 346 C THR B 26 30.314 -22.178 -1.351 1.00 22.11 C ATOM 347 O THR B 26 29.648 -21.179 -1.120 1.00 23.01 O ATOM 348 CB THR B 26 29.257 -24.295 -2.080 1.00 23.79 C ATOM 349 OG1 THR B 26 28.243 -23.493 -2.699 1.00 23.83 O ATOM 350 CG2 THR B 26 28.619 -25.603 -1.646 1.00 23.55 C ATOM 351 HG1 THR B 26 27.865 -23.981 -3.473 1.00 0.00 H ATOM 352 H THR B 26 28.166 -22.640 0.084 1.00 0.00 H ATOM 353 N VAL B 27 31.432 -22.144 -2.078 1.00 20.76 N ATOM 354 CA VAL B 27 31.903 -20.875 -2.632 1.00 20.91 C ATOM 355 C VAL B 27 30.889 -20.269 -3.580 1.00 22.27 C ATOM 356 O VAL B 27 30.705 -19.042 -3.623 1.00 22.25 O ATOM 357 CB VAL B 27 33.295 -21.033 -3.292 1.00 22.07 C ATOM 358 CG1 VAL B 27 33.673 -19.740 -4.043 1.00 28.29 C ATOM 359 CG2 VAL B 27 34.311 -21.326 -2.231 1.00 29.64 C ATOM 360 H VAL B 27 31.968 -23.018 -2.251 1.00 0.00 H ATOM 361 N ASP B 28 30.229 -21.097 -4.392 1.00 21.99 N ATOM 362 CA ASP B 28 29.172 -20.574 -5.247 1.00 22.64 C ATOM 363 C ASP B 28 28.059 -19.948 -4.423 1.00 22.97 C ATOM 364 O ASP B 28 27.476 -18.930 -4.820 1.00 22.67 O ATOM 365 CB ASP B 28 28.579 -21.687 -6.093 1.00 24.27 C ATOM 366 CG ASP B 28 27.583 -21.160 -7.108 1.00 45.17 C ATOM 367 OD1 ASP B 28 28.010 -20.364 -7.972 1.00 54.05 O ATOM 368 OD2 ASP B 28 26.391 -21.528 -7.038 1.00 55.94 O ATOM 369 H ASP B 28 30.468 -22.109 -4.414 1.00 0.00 H ATOM 370 N GLY B 29 27.720 -20.565 -3.294 1.00 25.01 N ATOM 371 CA GLY B 29 26.724 -19.974 -2.405 1.00 23.12 C ATOM 372 C GLY B 29 27.193 -18.665 -1.805 1.00 22.99 C ATOM 373 O GLY B 29 26.404 -17.732 -1.637 1.00 24.32 O ATOM 374 H GLY B 29 28.166 -21.471 -3.044 1.00 0.00 H ATOM 375 N MET B 30 28.478 -18.572 -1.476 1.00 22.34 N ATOM 376 CA MET B 30 28.988 -17.332 -0.906 1.00 19.62 C ATOM 377 C MET B 30 28.944 -16.203 -1.928 1.00 24.17 C ATOM 378 O MET B 30 28.744 -15.040 -1.549 1.00 25.77 O ATOM 379 CB MET B 30 30.451 -17.510 -0.455 1.00 24.91 C ATOM 380 CG MET B 30 30.681 -18.575 0.625 1.00 23.04 C ATOM 381 SD MET B 30 29.739 -18.308 2.128 1.00 22.73 S ATOM 382 CE MET B 30 28.306 -19.271 1.846 1.00 21.77 C ATOM 383 H MET B 30 29.116 -19.380 -1.625 1.00 0.00 H ATOM 384 N LEU B 31 29.154 -16.519 -3.213 1.00 24.18 N ATOM 385 CA LEU B 31 29.360 -15.494 -4.239 1.00 19.96 C ATOM 386 C LEU B 31 28.195 -15.359 -5.212 1.00 27.53 C ATOM 387 O LEU B 31 28.321 -14.641 -6.225 1.00 21.03 O ATOM 388 CB LEU B 31 30.674 -15.749 -4.979 1.00 23.60 C ATOM 389 CG LEU B 31 31.923 -15.570 -4.111 1.00 22.18 C ATOM 390 CD1 LEU B 31 33.171 -15.810 -4.903 1.00 29.53 C ATOM 391 CD2 LEU B 31 31.975 -14.197 -3.461 1.00 29.20 C ATOM 392 H LEU B 31 29.171 -17.521 -3.490 1.00 0.00 H ATOM 393 N GLY B 32 27.045 -15.962 -4.917 1.00 23.71 N ATOM 394 CA GLY B 32 25.863 -15.749 -5.746 1.00 24.76 C ATOM 395 C GLY B 32 26.096 -15.973 -7.223 1.00 25.76 C ATOM 396 O GLY B 32 25.673 -15.156 -8.059 1.00 29.17 O ATOM 397 H GLY B 32 26.989 -16.590 -4.090 1.00 0.00 H ATOM 398 N GLY B 33 26.738 -17.073 -7.578 1.00 28.16 N ATOM 399 CA GLY B 33 27.032 -17.345 -8.967 1.00 40.87 C ATOM 400 C GLY B 33 28.239 -16.625 -9.545 1.00 33.62 C ATOM 401 O GLY B 33 28.489 -16.743 -10.752 1.00 35.55 O ATOM 402 H GLY B 33 27.035 -17.752 -6.848 1.00 0.00 H ATOM 403 N TYR B 34 28.989 -15.877 -8.738 1.00 27.41 N ATOM 404 CA TYR B 34 30.214 -15.232 -9.191 1.00 24.91 C ATOM 405 C TYR B 34 31.467 -15.872 -8.617 1.00 23.01 C ATOM 406 O TYR B 34 32.502 -15.214 -8.451 1.00 22.06 O ATOM 407 CB TYR B 34 30.177 -13.720 -8.908 1.00 24.41 C ATOM 408 CG TYR B 34 29.286 -13.024 -9.876 1.00 20.01 C ATOM 409 CD1 TYR B 34 29.760 -12.605 -11.121 1.00 25.15 C ATOM 410 CD2 TYR B 34 27.949 -12.832 -9.591 1.00 24.79 C ATOM 411 CE1 TYR B 34 28.915 -12.015 -12.034 1.00 27.07 C ATOM 412 CE2 TYR B 34 27.099 -12.231 -10.496 1.00 25.14 C ATOM 413 CZ TYR B 34 27.581 -11.849 -11.718 1.00 25.77 C ATOM 414 OH TYR B 34 26.741 -11.235 -12.594 1.00 29.80 O ATOM 415 HH TYR B 34 27.233 -11.022 -13.426 1.00 0.00 H ATOM 416 H TYR B 34 28.690 -15.749 -7.750 1.00 0.00 H ATOM 417 N GLY B 35 31.421 -17.191 -8.389 1.00 28.94 N ATOM 418 CA GLY B 35 32.606 -17.893 -7.958 1.00 30.45 C ATOM 419 C GLY B 35 33.782 -17.704 -8.882 1.00 29.07 C ATOM 420 O GLY B 35 34.939 -17.762 -8.444 1.00 32.43 O ATOM 421 H GLY B 35 30.530 -17.710 -8.523 1.00 0.00 H ATOM 422 N HIS B 36 33.526 -17.460 -10.175 1.00 25.76 N ATOM 423 CA HIS B 36 34.598 -17.252 -11.124 1.00 26.61 C ATOM 424 C HIS B 36 35.405 -15.981 -10.899 1.00 32.84 C ATOM 425 O HIS B 36 36.460 -15.841 -11.514 1.00 38.07 O ATOM 426 CB HIS B 36 34.054 -17.306 -12.576 1.00 33.10 C ATOM 427 CG HIS B 36 33.045 -16.246 -12.903 1.00 26.70 C ATOM 428 ND1 HIS B 36 31.751 -16.286 -12.436 1.00 27.28 N ATOM 429 CD2 HIS B 36 33.134 -15.145 -13.684 1.00 27.22 C ATOM 430 CE1 HIS B 36 31.090 -15.233 -12.891 1.00 24.64 C ATOM 431 NE2 HIS B 36 31.904 -14.537 -13.669 1.00 31.78 N ATOM 432 H HIS B 36 32.539 -17.420 -10.502 1.00 0.00 H ATOM 433 N ILE B 37 34.962 -15.040 -10.054 1.00 21.33 N ATOM 434 CA ILE B 37 35.772 -13.873 -9.771 1.00 19.94 C ATOM 435 C ILE B 37 36.478 -13.980 -8.409 1.00 21.06 C ATOM 436 O ILE B 37 37.144 -13.040 -7.995 1.00 22.49 O ATOM 437 CB ILE B 37 35.004 -12.553 -9.878 1.00 24.81 C ATOM 438 CG1 ILE B 37 33.970 -12.446 -8.767 1.00 28.81 C ATOM 439 CG2 ILE B 37 34.401 -12.410 -11.276 1.00 32.51 C ATOM 440 CD1 ILE B 37 33.354 -11.033 -8.609 1.00 36.17 C ATOM 441 H ILE B 37 34.033 -15.148 -9.600 1.00 0.00 H ATOM 442 N SER B 38 36.359 -15.112 -7.737 1.00 21.14 N ATOM 443 CA SER B 38 36.917 -15.225 -6.396 1.00 23.03 C ATOM 444 C SER B 38 38.409 -14.936 -6.393 1.00 24.19 C ATOM 445 O SER B 38 38.910 -14.190 -5.546 1.00 22.75 O ATOM 446 CB SER B 38 36.647 -16.609 -5.821 1.00 22.36 C ATOM 447 OG SER B 38 37.048 -16.663 -4.462 1.00 23.04 O ATOM 448 HG SER B 38 36.867 -17.567 -4.101 1.00 0.00 H ATOM 449 H SER B 38 35.867 -15.922 -8.166 1.00 0.00 H ATOM 450 N SER B 39 39.153 -15.549 -7.324 1.00 21.29 N ATOM 451 CA SER B 39 40.590 -15.338 -7.342 1.00 20.34 C ATOM 452 C SER B 39 40.949 -13.901 -7.652 1.00 20.71 C ATOM 453 O SER B 39 41.858 -13.343 -7.046 1.00 22.67 O ATOM 454 CB SER B 39 41.215 -16.289 -8.368 1.00 25.42 C ATOM 455 OG SER B 39 42.600 -16.018 -8.475 1.00 29.58 O ATOM 456 HG SER B 39 43.030 -16.152 -7.593 1.00 0.00 H ATOM 457 H SER B 39 38.705 -16.170 -8.028 1.00 0.00 H ATOM 458 N ILE B 40 40.271 -13.286 -8.612 1.00 21.70 N ATOM 459 CA ILE B 40 40.518 -11.891 -8.917 1.00 19.94 C ATOM 460 C ILE B 40 40.282 -11.016 -7.687 1.00 19.45 C ATOM 461 O ILE B 40 41.016 -10.064 -7.431 1.00 20.67 O ATOM 462 CB ILE B 40 39.622 -11.464 -10.097 1.00 23.00 C ATOM 463 CG1 ILE B 40 40.031 -12.228 -11.369 1.00 25.32 C ATOM 464 CG2 ILE B 40 39.708 -9.993 -10.291 1.00 25.60 C ATOM 465 CD1 ILE B 40 38.946 -12.088 -12.520 1.00 26.04 C ATOM 466 H ILE B 40 39.554 -13.811 -9.152 1.00 0.00 H ATOM 467 N ASP B 41 39.169 -11.260 -6.990 1.00 19.83 N ATOM 468 CA ASP B 41 38.867 -10.565 -5.742 1.00 20.80 C ATOM 469 C ASP B 41 39.998 -10.726 -4.729 1.00 18.37 C ATOM 470 O ASP B 41 40.557 -9.743 -4.237 1.00 21.42 O ATOM 471 CB ASP B 41 37.552 -11.127 -5.200 1.00 18.49 C ATOM 472 CG ASP B 41 37.304 -10.737 -3.746 1.00 23.09 C ATOM 473 OD1 ASP B 41 37.228 -9.511 -3.482 1.00 23.23 O ATOM 474 OD2 ASP B 41 37.191 -11.656 -2.888 1.00 21.55 O ATOM 475 H ASP B 41 38.496 -11.968 -7.348 1.00 0.00 H ATOM 476 N ILE B 42 40.372 -11.964 -4.439 1.00 19.73 N ATOM 477 CA ILE B 42 41.391 -12.205 -3.418 1.00 22.58 C ATOM 478 C ILE B 42 42.723 -11.577 -3.805 1.00 20.19 C ATOM 479 O ILE B 42 43.436 -11.038 -2.955 1.00 22.23 O ATOM 480 CB ILE B 42 41.534 -13.722 -3.171 1.00 22.95 C ATOM 481 CG1 ILE B 42 40.277 -14.362 -2.581 1.00 26.48 C ATOM 482 CG2 ILE B 42 42.743 -14.001 -2.283 1.00 26.25 C ATOM 483 CD1 ILE B 42 39.956 -13.971 -1.206 1.00 27.57 C ATOM 484 H ILE B 42 39.939 -12.767 -4.939 1.00 0.00 H ATOM 485 N ASN B 43 43.126 -11.703 -5.073 1.00 20.61 N ATOM 486 CA ASN B 43 44.372 -11.073 -5.509 1.00 21.35 C ATOM 487 C ASN B 43 44.413 -9.583 -5.202 1.00 21.09 C ATOM 488 O ASN B 43 45.439 -9.066 -4.740 1.00 24.36 O ATOM 489 CB ASN B 43 44.580 -11.246 -7.022 1.00 23.10 C ATOM 490 CG ASN B 43 44.977 -12.640 -7.417 1.00 29.28 C ATOM 491 OD1 ASN B 43 45.280 -13.466 -6.585 1.00 27.79 O ATOM 492 ND2 ASN B 43 45.006 -12.891 -8.732 1.00 31.97 N ATOM 493 HD22 ASN B 43 44.737 -12.149 -9.409 1.00 0.00 H ATOM 494 HD21 ASN B 43 45.298 -13.828 -9.076 1.00 0.00 H ATOM 495 H ASN B 43 42.554 -12.248 -5.749 1.00 0.00 H ATOM 496 N SER B 44 43.326 -8.865 -5.490 1.00 20.31 N ATOM 497 CA SER B 44 43.303 -7.427 -5.250 1.00 22.52 C ATOM 498 C SER B 44 43.323 -7.118 -3.763 1.00 20.07 C ATOM 499 O SER B 44 44.015 -6.181 -3.312 1.00 21.90 O ATOM 500 CB SER B 44 42.055 -6.807 -5.867 1.00 26.30 C ATOM 501 OG SER B 44 42.124 -6.846 -7.286 1.00 37.43 O ATOM 502 HG SER B 44 42.196 -7.787 -7.586 1.00 0.00 H ATOM 503 H SER B 44 42.488 -9.335 -5.889 1.00 0.00 H ATOM 504 N SER B 45 42.549 -7.874 -2.986 1.00 20.60 N ATOM 505 CA SER B 45 42.567 -7.695 -1.545 1.00 21.14 C ATOM 506 C SER B 45 43.955 -7.905 -0.977 1.00 20.87 C ATOM 507 O SER B 45 44.384 -7.184 -0.054 1.00 22.05 O ATOM 508 CB SER B 45 41.602 -8.676 -0.911 1.00 21.99 C ATOM 509 OG SER B 45 40.264 -8.391 -1.321 1.00 20.01 O ATOM 510 HG SER B 45 39.646 -9.039 -0.899 1.00 0.00 H ATOM 511 H SER B 45 41.931 -8.594 -3.412 1.00 0.00 H ATOM 512 N ARG B 46 44.666 -8.913 -1.490 1.00 20.52 N ATOM 513 CA ARG B 46 46.002 -9.189 -0.970 1.00 21.74 C ATOM 514 C ARG B 46 46.930 -8.010 -1.234 1.00 23.35 C ATOM 515 O ARG B 46 47.661 -7.560 -0.336 1.00 22.30 O ATOM 516 CB ARG B 46 46.549 -10.465 -1.624 1.00 21.57 C ATOM 517 CG ARG B 46 47.904 -10.879 -1.063 1.00 26.44 C ATOM 518 CD ARG B 46 48.394 -12.152 -1.705 1.00 36.35 C ATOM 519 NE ARG B 46 47.518 -13.274 -1.410 1.00 42.18 N ATOM 520 CZ ARG B 46 46.786 -13.943 -2.301 1.00 49.69 C ATOM 521 NH1 ARG B 46 46.794 -13.612 -3.596 1.00 45.11 N ATOM 522 NH2 ARG B 46 46.045 -14.968 -1.884 1.00 40.87 N ATOM 523 HE ARG B 46 47.457 -13.581 -0.418 1.00 0.00 H ATOM 524 HH12 ARG B 46 46.215 -14.148 -4.273 1.00 0.00 H ATOM 525 HH11 ARG B 46 47.379 -12.818 -3.926 1.00 0.00 H ATOM 526 HH22 ARG B 46 45.467 -15.502 -2.564 1.00 0.00 H ATOM 527 HH21 ARG B 46 46.044 -15.234 -0.879 1.00 0.00 H ATOM 528 H ARG B 46 44.271 -9.497 -2.254 1.00 0.00 H ATOM 529 N LYS B 47 46.908 -7.490 -2.467 1.00 21.30 N ATOM 530 CA LYS B 47 47.747 -6.337 -2.794 1.00 22.00 C ATOM 531 C LYS B 47 47.407 -5.146 -1.910 1.00 24.96 C ATOM 532 O LYS B 47 48.309 -4.461 -1.417 1.00 27.93 O ATOM 533 CB LYS B 47 47.624 -5.977 -4.270 1.00 25.54 C ATOM 534 CG LYS B 47 48.174 -7.064 -5.164 1.00 42.84 C ATOM 535 CD LYS B 47 48.312 -6.593 -6.602 1.00 52.52 C ATOM 536 CE LYS B 47 48.941 -7.677 -7.482 1.00 69.49 C ATOM 537 NZ LYS B 47 49.338 -7.167 -8.833 1.00 80.69 N ATOM 538 HZ1 LYS B 47 48.497 -6.804 -9.326 1.00 0.00 H ATOM 539 HZ2 LYS B 47 50.034 -6.402 -8.723 1.00 0.00 H ATOM 540 HZ3 LYS B 47 49.758 -7.942 -9.385 1.00 0.00 H ATOM 541 H LYS B 47 46.293 -7.907 -3.195 1.00 0.00 H ATOM 542 N PHE B 48 46.108 -4.904 -1.691 1.00 24.33 N ATOM 543 CA PHE B 48 45.636 -3.792 -0.864 1.00 23.29 C ATOM 544 C PHE B 48 46.148 -3.905 0.564 1.00 22.07 C ATOM 545 O PHE B 48 46.661 -2.944 1.137 1.00 25.46 O ATOM 546 CB PHE B 48 44.092 -3.794 -0.934 1.00 22.22 C ATOM 547 CG PHE B 48 43.424 -2.644 -0.220 1.00 22.18 C ATOM 548 CD1 PHE B 48 43.344 -1.420 -0.816 1.00 22.83 C ATOM 549 CD2 PHE B 48 42.839 -2.801 1.027 1.00 20.52 C ATOM 550 CE1 PHE B 48 42.708 -0.354 -0.181 1.00 27.70 C ATOM 551 CE2 PHE B 48 42.216 -1.744 1.670 1.00 21.24 C ATOM 552 CZ PHE B 48 42.147 -0.530 1.068 1.00 20.85 C ATOM 553 H PHE B 48 45.404 -5.533 -2.127 1.00 0.00 H ATOM 554 N LEU B 49 46.030 -5.097 1.152 1.00 21.99 N ATOM 555 CA LEU B 49 46.423 -5.303 2.540 1.00 24.08 C ATOM 556 C LEU B 49 47.935 -5.309 2.697 1.00 28.35 C ATOM 557 O LEU B 49 48.469 -4.779 3.678 1.00 27.72 O ATOM 558 CB LEU B 49 45.813 -6.639 2.964 1.00 29.56 C ATOM 559 CG LEU B 49 45.752 -6.974 4.430 1.00 35.14 C ATOM 560 CD1 LEU B 49 45.126 -5.821 5.200 1.00 28.97 C ATOM 561 CD2 LEU B 49 44.959 -8.249 4.572 1.00 27.69 C ATOM 562 H LEU B 49 45.649 -5.897 0.607 1.00 0.00 H ATOM 563 N GLN B 50 48.656 -5.902 1.745 1.00 31.72 N ATOM 564 CA GLN B 50 50.106 -6.007 1.893 1.00 34.87 C ATOM 565 C GLN B 50 50.764 -4.641 2.044 1.00 30.03 C ATOM 566 O GLN B 50 51.796 -4.519 2.710 1.00 34.25 O ATOM 567 CB GLN B 50 50.693 -6.760 0.705 1.00 33.59 C ATOM 568 CG GLN B 50 50.486 -8.268 0.778 1.00 37.42 C ATOM 569 CD GLN B 50 51.056 -8.963 -0.443 1.00 55.06 C ATOM 570 OE1 GLN B 50 51.037 -8.408 -1.544 1.00 59.09 O ATOM 571 NE2 GLN B 50 51.575 -10.169 -0.255 1.00 56.33 N ATOM 572 HE22 GLN B 50 51.568 -10.596 0.693 1.00 0.00 H ATOM 573 HE21 GLN B 50 51.989 -10.687 -1.056 1.00 0.00 H ATOM 574 H GLN B 50 48.188 -6.288 0.900 1.00 0.00 H ATOM 575 N ARG B 51 50.183 -3.601 1.456 1.00 27.99 N ATOM 576 CA ARG B 51 50.738 -2.264 1.606 1.00 32.76 C ATOM 577 C ARG B 51 50.813 -1.853 3.073 1.00 43.43 C ATOM 578 O ARG B 51 51.743 -1.154 3.492 1.00 33.17 O ATOM 579 CB ARG B 51 49.859 -1.302 0.826 1.00 35.63 C ATOM 580 CG ARG B 51 50.328 0.126 0.854 1.00 63.15 C ATOM 581 CD ARG B 51 49.904 0.848 -0.410 1.00 63.35 C ATOM 582 NE ARG B 51 50.459 2.202 -0.470 1.00 72.17 N ATOM 583 CZ ARG B 51 50.453 2.965 -1.559 1.00 66.53 C ATOM 584 NH1 ARG B 51 51.012 4.181 -1.543 1.00 36.97 N ATOM 585 NH2 ARG B 51 49.908 2.500 -2.677 1.00 66.78 N ATOM 586 HE ARG B 51 50.885 2.592 0.395 1.00 0.00 H ATOM 587 HH12 ARG B 51 51.002 4.769 -2.400 1.00 0.00 H ATOM 588 HH11 ARG B 51 51.457 4.537 -0.673 1.00 0.00 H ATOM 589 HH22 ARG B 51 49.898 3.088 -3.534 1.00 0.00 H ATOM 590 HH21 ARG B 51 49.491 1.547 -2.695 1.00 0.00 H ATOM 591 H ARG B 51 49.326 -3.743 0.885 1.00 0.00 H ATOM 592 N PHE B 52 49.835 -2.263 3.871 1.00 24.21 N ATOM 593 CA PHE B 52 49.796 -1.870 5.270 1.00 23.98 C ATOM 594 C PHE B 52 50.679 -2.761 6.119 1.00 25.57 C ATOM 595 O PHE B 52 51.151 -2.337 7.177 1.00 23.88 O ATOM 596 CB PHE B 52 48.355 -1.951 5.808 1.00 22.24 C ATOM 597 CG PHE B 52 47.444 -0.897 5.214 1.00 25.51 C ATOM 598 CD1 PHE B 52 47.342 0.362 5.793 1.00 26.59 C ATOM 599 CD2 PHE B 52 46.706 -1.174 4.073 1.00 30.40 C ATOM 600 CE1 PHE B 52 46.529 1.342 5.209 1.00 26.42 C ATOM 601 CE2 PHE B 52 45.883 -0.194 3.494 1.00 31.15 C ATOM 602 CZ PHE B 52 45.797 1.042 4.058 1.00 24.42 C ATOM 603 H PHE B 52 49.085 -2.875 3.490 1.00 0.00 H ATOM 604 N LEU B 53 50.909 -3.989 5.683 1.00 26.39 N ATOM 605 CA LEU B 53 51.738 -4.902 6.452 1.00 29.15 C ATOM 606 C LEU B 53 53.207 -4.721 6.157 1.00 30.10 C ATOM 607 O LEU B 53 54.049 -5.092 6.985 1.00 32.54 O ATOM 608 CB LEU B 53 51.365 -6.350 6.110 1.00 30.86 C ATOM 609 CG LEU B 53 49.900 -6.716 6.300 1.00 27.06 C ATOM 610 CD1 LEU B 53 49.620 -8.123 5.797 1.00 29.81 C ATOM 611 CD2 LEU B 53 49.492 -6.607 7.743 1.00 27.24 C ATOM 612 H LEU B 53 50.493 -4.303 4.783 1.00 0.00 H ATOM 613 N ARG B 54 53.539 -4.164 4.995 1.00 31.65 N ATOM 614 CA ARG B 54 54.909 -4.242 4.508 1.00 41.27 C ATOM 615 C ARG B 54 55.588 -2.892 4.435 1.00 41.36 C ATOM 616 O ARG B 54 56.817 -2.846 4.390 1.00 51.95 O ATOM 617 CB ARG B 54 54.962 -4.887 3.107 1.00 43.07 C ATOM 618 CG ARG B 54 54.277 -6.271 2.971 1.00 41.90 C ATOM 619 CD ARG B 54 55.147 -7.420 3.442 1.00 56.02 C ATOM 620 NE ARG B 54 54.550 -8.207 4.530 1.00 82.52 N ATOM 621 CZ ARG B 54 53.473 -8.991 4.413 1.00 77.41 C ATOM 622 NH1 ARG B 54 52.825 -9.089 3.248 1.00 59.91 N ATOM 623 NH2 ARG B 54 53.040 -9.679 5.477 1.00 37.15 N ATOM 624 HE ARG B 54 55.001 -8.150 5.465 1.00 0.00 H ATOM 625 HH12 ARG B 54 51.988 -9.702 3.168 1.00 0.00 H ATOM 626 HH11 ARG B 54 53.157 -8.553 2.421 1.00 0.00 H ATOM 627 HH22 ARG B 54 52.203 -10.291 5.395 1.00 0.00 H ATOM 628 HH21 ARG B 54 53.540 -9.601 6.385 1.00 0.00 H ATOM 629 H ARG B 54 52.817 -3.671 4.432 1.00 0.00 H ATOM 630 N GLU B 55 54.824 -1.805 4.431 1.00 55.79 N ATOM 631 CA GLU B 55 55.361 -0.480 4.168 1.00 59.65 C ATOM 632 C GLU B 55 54.982 0.470 5.296 1.00 60.57 C ATOM 633 O GLU B 55 54.017 0.246 6.036 1.00 54.56 O ATOM 634 CB GLU B 55 54.834 0.084 2.835 1.00 56.79 C ATOM 635 CG GLU B 55 54.726 -0.942 1.708 1.00 61.15 C ATOM 636 CD GLU B 55 54.149 -0.346 0.426 1.00 72.56 C ATOM 637 OE1 GLU B 55 53.663 0.808 0.474 1.00 75.22 O ATOM 638 OE2 GLU B 55 54.182 -1.025 -0.628 1.00 61.94 O ATOM 639 H GLU B 55 53.807 -1.906 4.623 1.00 0.00 H ATOM 640 N GLY B 56 55.767 1.540 5.412 1.00 68.08 N ATOM 641 CA GLY B 56 55.507 2.591 6.366 1.00 67.32 C ATOM 642 C GLY B 56 56.281 2.402 7.653 1.00 62.25 C ATOM 643 O GLY B 56 56.886 1.351 7.898 1.00 58.17 O ATOM 644 H GLY B 56 56.598 1.621 4.792 1.00 0.00 H ATOM 645 N PRO B 57 56.283 3.433 8.502 1.00 58.94 N ATOM 646 CA PRO B 57 56.985 3.315 9.788 1.00 59.36 C ATOM 647 C PRO B 57 56.165 2.635 10.863 1.00 63.70 C ATOM 648 O PRO B 57 56.745 2.128 11.835 1.00 68.90 O ATOM 649 CB PRO B 57 57.246 4.776 10.170 1.00 63.54 C ATOM 650 CG PRO B 57 56.030 5.492 9.614 1.00 58.02 C ATOM 651 CD PRO B 57 55.689 4.772 8.314 1.00 58.11 C ATOM 652 N ASN B 58 54.844 2.631 10.733 1.00 44.87 N ATOM 653 CA ASN B 58 53.950 2.048 11.730 1.00 37.76 C ATOM 654 C ASN B 58 53.180 0.919 11.053 1.00 28.42 C ATOM 655 O ASN B 58 51.971 1.024 10.815 1.00 31.15 O ATOM 656 CB ASN B 58 53.032 3.102 12.273 1.00 40.15 C ATOM 657 CG ASN B 58 53.783 4.213 12.953 1.00 55.52 C ATOM 658 OD1 ASN B 58 53.836 5.335 12.451 1.00 63.48 O ATOM 659 ND2 ASN B 58 54.379 3.907 14.098 1.00 56.31 N ATOM 660 HD22 ASN B 58 54.305 2.943 14.482 1.00 0.00 H ATOM 661 HD21 ASN B 58 54.921 4.631 14.612 1.00 0.00 H ATOM 662 H ASN B 58 54.427 3.062 9.883 1.00 0.00 H ATOM 663 N LYS B 59 53.897 -0.148 10.737 1.00 30.84 N ATOM 664 CA LYS B 59 53.323 -1.260 9.992 1.00 28.05 C ATOM 665 C LYS B 59 52.237 -1.938 10.815 1.00 26.73 C ATOM 666 O LYS B 59 52.331 -2.058 12.040 1.00 27.08 O ATOM 667 CB LYS B 59 54.408 -2.273 9.649 1.00 32.43 C ATOM 668 CG LYS B 59 55.405 -1.778 8.592 1.00 52.02 C ATOM 669 CD LYS B 59 56.619 -2.711 8.444 1.00 53.02 C ATOM 670 CE LYS B 59 57.568 -2.264 7.305 1.00 58.02 C ATOM 671 NZ LYS B 59 57.900 -0.792 7.315 1.00 55.39 N ATOM 672 HZ1 LYS B 59 57.024 -0.240 7.217 1.00 0.00 H ATOM 673 HZ2 LYS B 59 58.366 -0.549 8.213 1.00 0.00 H ATOM 674 HZ3 LYS B 59 58.538 -0.576 6.523 1.00 0.00 H ATOM 675 H LYS B 59 54.894 -0.193 11.028 1.00 0.00 H ATOM 676 N THR B 60 51.200 -2.391 10.117 1.00 23.22 N ATOM 677 CA THR B 60 50.172 -3.222 10.732 1.00 22.75 C ATOM 678 C THR B 60 50.770 -4.599 11.008 1.00 23.53 C ATOM 679 O THR B 60 51.528 -5.127 10.200 1.00 24.63 O ATOM 680 CB THR B 60 48.995 -3.319 9.766 1.00 22.87 C ATOM 681 OG1 THR B 60 48.455 -2.006 9.533 1.00 23.75 O ATOM 682 CG2 THR B 60 47.883 -4.231 10.345 1.00 22.54 C ATOM 683 HG1 THR B 60 49.156 -1.427 9.142 1.00 0.00 H ATOM 684 H THR B 60 51.120 -2.147 9.109 1.00 0.00 H ATOM 685 N GLY B 61 50.440 -5.151 12.180 1.00 21.88 N ATOM 686 CA GLY B 61 50.969 -6.444 12.574 1.00 24.21 C ATOM 687 C GLY B 61 50.313 -7.597 11.853 1.00 23.60 C ATOM 688 O GLY B 61 49.358 -7.433 11.073 1.00 22.06 O ATOM 689 H GLY B 61 49.794 -4.646 12.820 1.00 0.00 H ATOM 690 N THR B 62 50.843 -8.788 12.116 1.00 24.10 N ATOM 691 CA THR B 62 50.411 -10.013 11.454 1.00 20.33 C ATOM 692 C THR B 62 49.938 -11.080 12.441 1.00 20.01 C ATOM 693 O THR B 62 49.814 -12.265 12.049 1.00 24.67 O ATOM 694 CB THR B 62 51.520 -10.577 10.549 1.00 26.46 C ATOM 695 OG1 THR B 62 52.688 -10.842 11.340 1.00 25.35 O ATOM 696 CG2 THR B 62 51.881 -9.602 9.443 1.00 27.96 C ATOM 697 HG1 THR B 62 52.998 -10.001 11.761 1.00 0.00 H ATOM 698 H THR B 62 51.600 -8.848 12.826 1.00 0.00 H ATOM 699 N SER B 63 49.680 -10.739 13.710 1.00 20.06 N ATOM 700 CA SER B 63 49.364 -11.785 14.678 1.00 21.30 C ATOM 701 C SER B 63 47.925 -12.291 14.583 1.00 20.24 C ATOM 702 O SER B 63 47.676 -13.488 14.765 1.00 22.62 O ATOM 703 CB SER B 63 49.705 -11.327 16.098 1.00 25.59 C ATOM 704 OG SER B 63 48.724 -10.435 16.566 1.00 34.28 O ATOM 705 HG SER B 63 48.686 -9.646 15.970 1.00 0.00 H ATOM 706 H SER B 63 49.704 -9.741 14.002 1.00 0.00 H ATOM 707 N CYS B 64 46.950 -11.421 14.330 1.00 22.23 N ATOM 708 CA CYS B 64 45.571 -11.888 14.400 1.00 21.23 C ATOM 709 C CYS B 64 44.655 -11.035 13.539 1.00 22.42 C ATOM 710 O CYS B 64 44.760 -9.814 13.508 1.00 21.16 O ATOM 711 CB CYS B 64 45.072 -11.847 15.847 1.00 23.24 C ATOM 712 SG CYS B 64 43.604 -12.883 16.007 1.00 31.82 S ATOM 713 H CYS B 64 47.167 -10.433 14.088 1.00 0.00 H ATOM 714 N ALA B 65 43.755 -11.685 12.811 1.00 19.77 N ATOM 715 CA ALA B 65 42.744 -10.989 12.031 1.00 19.16 C ATOM 716 C ALA B 65 41.366 -11.539 12.378 1.00 17.02 C ATOM 717 O ALA B 65 41.237 -12.665 12.844 1.00 19.86 O ATOM 718 CB ALA B 65 42.969 -11.150 10.537 1.00 20.96 C ATOM 719 H ALA B 65 43.774 -12.725 12.798 1.00 0.00 H ATOM 720 N LEU B 66 40.335 -10.707 12.174 1.00 17.14 N ATOM 721 CA LEU B 66 38.935 -11.083 12.360 1.00 16.03 C ATOM 722 C LEU B 66 38.256 -10.985 11.008 1.00 18.53 C ATOM 723 O LEU B 66 38.266 -9.915 10.398 1.00 19.29 O ATOM 724 CB LEU B 66 38.244 -10.113 13.316 1.00 16.46 C ATOM 725 CG LEU B 66 36.732 -10.302 13.563 1.00 19.85 C ATOM 726 CD1 LEU B 66 36.450 -11.665 14.173 1.00 20.19 C ATOM 727 CD2 LEU B 66 36.156 -9.186 14.453 1.00 22.23 C ATOM 728 H LEU B 66 40.544 -9.736 11.865 1.00 0.00 H ATOM 729 N ASP B 67 37.597 -12.065 10.578 1.00 16.92 N ATOM 730 CA ASP B 67 36.840 -12.111 9.311 1.00 16.89 C ATOM 731 C ASP B 67 35.353 -11.988 9.626 1.00 19.52 C ATOM 732 O ASP B 67 34.752 -12.888 10.208 1.00 18.60 O ATOM 733 CB ASP B 67 37.140 -13.431 8.581 1.00 18.84 C ATOM 734 CG ASP B 67 36.572 -13.496 7.166 1.00 22.58 C ATOM 735 OD1 ASP B 67 35.807 -12.600 6.741 1.00 20.55 O ATOM 736 OD2 ASP B 67 36.875 -14.487 6.470 1.00 21.21 O ATOM 737 H ASP B 67 37.618 -12.921 11.169 1.00 0.00 H ATOM 738 N CYS B 68 34.771 -10.841 9.291 1.00 17.52 N ATOM 739 CA CYS B 68 33.392 -10.518 9.641 1.00 17.34 C ATOM 740 C CYS B 68 32.439 -10.859 8.504 1.00 19.04 C ATOM 741 O CYS B 68 32.655 -10.443 7.356 1.00 19.18 O ATOM 742 CB CYS B 68 33.264 -9.019 9.930 1.00 19.63 C ATOM 743 SG CYS B 68 34.221 -8.487 11.321 1.00 20.33 S ATOM 744 H CYS B 68 35.324 -10.142 8.755 1.00 0.00 H ATOM 745 N GLY B 69 31.379 -11.599 8.822 1.00 20.31 N ATOM 746 CA GLY B 69 30.557 -12.168 7.755 1.00 18.92 C ATOM 747 C GLY B 69 31.324 -13.199 6.977 1.00 19.33 C ATOM 748 O GLY B 69 31.262 -13.207 5.722 1.00 19.41 O ATOM 749 H GLY B 69 31.138 -11.771 9.819 1.00 0.00 H ATOM 750 N ALA B 70 32.065 -14.058 7.676 1.00 17.32 N ATOM 751 CA ALA B 70 33.063 -14.883 7.023 1.00 18.89 C ATOM 752 C ALA B 70 32.476 -16.009 6.188 1.00 21.05 C ATOM 753 O ALA B 70 33.218 -16.581 5.373 1.00 19.22 O ATOM 754 CB ALA B 70 33.942 -15.552 8.058 1.00 18.58 C ATOM 755 H ALA B 70 31.926 -14.138 8.704 1.00 0.00 H ATOM 756 N GLY B 71 31.218 -16.378 6.417 1.00 21.23 N ATOM 757 CA GLY B 71 30.648 -17.536 5.732 1.00 21.30 C ATOM 758 C GLY B 71 31.435 -18.798 6.021 1.00 17.92 C ATOM 759 O GLY B 71 31.846 -19.061 7.152 1.00 19.32 O ATOM 760 H GLY B 71 30.636 -15.838 7.089 1.00 0.00 H ATOM 761 N ILE B 72 31.686 -19.568 4.956 1.00 20.01 N ATOM 762 CA ILE B 72 32.442 -20.813 5.089 1.00 18.41 C ATOM 763 C ILE B 72 33.934 -20.568 5.190 1.00 18.50 C ATOM 764 O ILE B 72 34.705 -21.531 5.338 1.00 20.92 O ATOM 765 CB ILE B 72 32.150 -21.779 3.924 1.00 17.96 C ATOM 766 CG1 ILE B 72 32.614 -21.237 2.586 1.00 20.02 C ATOM 767 CG2 ILE B 72 30.685 -22.108 3.850 1.00 20.10 C ATOM 768 CD1 ILE B 72 32.471 -22.249 1.433 1.00 22.04 C ATOM 769 H ILE B 72 31.338 -19.277 4.020 1.00 0.00 H ATOM 770 N GLY B 73 34.373 -19.325 5.058 1.00 19.63 N ATOM 771 CA GLY B 73 35.792 -19.023 5.157 1.00 20.58 C ATOM 772 C GLY B 73 36.529 -18.841 3.852 1.00 20.17 C ATOM 773 O GLY B 73 37.748 -19.071 3.811 1.00 19.35 O ATOM 774 H GLY B 73 33.695 -18.556 4.882 1.00 0.00 H ATOM 775 N ARG B 74 35.846 -18.476 2.764 1.00 20.96 N ATOM 776 CA ARG B 74 36.543 -18.204 1.508 1.00 19.34 C ATOM 777 C ARG B 74 37.688 -17.215 1.693 1.00 18.70 C ATOM 778 O ARG B 74 38.803 -17.453 1.212 1.00 21.05 O ATOM 779 CB ARG B 74 35.525 -17.645 0.501 1.00 18.80 C ATOM 780 CG ARG B 74 36.066 -17.432 -0.891 1.00 21.39 C ATOM 781 CD ARG B 74 35.073 -16.706 -1.800 1.00 22.37 C ATOM 782 NE ARG B 74 34.824 -15.343 -1.338 1.00 20.52 N ATOM 783 CZ ARG B 74 35.491 -14.269 -1.748 1.00 22.14 C ATOM 784 NH1 ARG B 74 36.456 -14.369 -2.657 1.00 20.32 N ATOM 785 NH2 ARG B 74 35.192 -13.082 -1.247 1.00 20.63 N ATOM 786 HE ARG B 74 34.069 -15.203 -0.637 1.00 0.00 H ATOM 787 HH12 ARG B 74 36.968 -13.519 -2.967 1.00 0.00 H ATOM 788 HH11 ARG B 74 36.699 -15.297 -3.058 1.00 0.00 H ATOM 789 HH22 ARG B 74 35.711 -12.238 -1.564 1.00 0.00 H ATOM 790 HH21 ARG B 74 34.438 -12.993 -0.536 1.00 0.00 H ATOM 791 H ARG B 74 34.811 -18.385 2.811 1.00 0.00 H ATOM 792 N ILE B 75 37.432 -16.100 2.367 1.00 17.79 N ATOM 793 CA ILE B 75 38.465 -15.086 2.568 1.00 18.23 C ATOM 794 C ILE B 75 39.471 -15.549 3.604 1.00 19.74 C ATOM 795 O ILE B 75 40.673 -15.321 3.454 1.00 18.42 O ATOM 796 CB ILE B 75 37.811 -13.741 2.961 1.00 19.04 C ATOM 797 CG1 ILE B 75 36.858 -13.344 1.860 1.00 20.54 C ATOM 798 CG2 ILE B 75 38.886 -12.651 3.200 1.00 20.15 C ATOM 799 CD1 ILE B 75 36.033 -12.113 2.199 1.00 23.81 C ATOM 800 H ILE B 75 36.481 -15.946 2.758 1.00 0.00 H ATOM 801 N THR B 76 38.997 -16.160 4.692 1.00 18.67 N ATOM 802 CA THR B 76 39.917 -16.654 5.715 1.00 18.50 C ATOM 803 C THR B 76 40.922 -17.622 5.110 1.00 19.48 C ATOM 804 O THR B 76 42.119 -17.545 5.397 1.00 21.92 O ATOM 805 CB THR B 76 39.126 -17.320 6.837 1.00 20.80 C ATOM 806 OG1 THR B 76 38.484 -16.314 7.643 1.00 21.43 O ATOM 807 CG2 THR B 76 40.001 -18.124 7.761 1.00 20.34 C ATOM 808 HG1 THR B 76 37.869 -15.783 7.078 1.00 0.00 H ATOM 809 H THR B 76 37.972 -16.285 4.812 1.00 0.00 H ATOM 810 N LYS B 77 40.466 -18.508 4.247 1.00 19.18 N ATOM 811 CA LYS B 77 41.371 -19.515 3.684 1.00 18.44 C ATOM 812 C LYS B 77 42.409 -18.909 2.751 1.00 22.03 C ATOM 813 O LYS B 77 43.602 -19.240 2.836 1.00 20.32 O ATOM 814 CB LYS B 77 40.544 -20.549 2.929 1.00 19.93 C ATOM 815 CG LYS B 77 41.373 -21.767 2.456 1.00 24.68 C ATOM 816 CD LYS B 77 40.463 -22.748 1.712 1.00 26.46 C ATOM 817 CE LYS B 77 41.160 -24.084 1.521 1.00 38.59 C ATOM 818 NZ LYS B 77 40.207 -25.051 0.892 1.00 40.76 N ATOM 819 HZ1 LYS B 77 39.380 -25.173 1.511 1.00 0.00 H ATOM 820 HZ2 LYS B 77 39.899 -24.682 -0.030 1.00 0.00 H ATOM 821 HZ3 LYS B 77 40.681 -25.967 0.760 1.00 0.00 H ATOM 822 H LYS B 77 39.465 -18.493 3.966 1.00 0.00 H ATOM 823 N ARG B 78 41.995 -18.058 1.809 1.00 20.39 N ATOM 824 CA ARG B 78 42.883 -17.654 0.721 1.00 21.49 C ATOM 825 C ARG B 78 43.529 -16.297 0.928 1.00 24.82 C ATOM 826 O ARG B 78 44.587 -16.035 0.344 1.00 25.52 O ATOM 827 CB ARG B 78 42.174 -17.689 -0.636 1.00 26.01 C ATOM 828 CG ARG B 78 41.925 -19.100 -1.150 1.00 41.80 C ATOM 829 CD ARG B 78 41.318 -19.076 -2.561 1.00 45.22 C ATOM 830 NE ARG B 78 42.274 -18.650 -3.586 1.00 63.25 N ATOM 831 CZ ARG B 78 41.954 -18.375 -4.854 1.00 61.36 C ATOM 832 NH1 ARG B 78 40.684 -18.464 -5.264 1.00 37.09 N ATOM 833 NH2 ARG B 78 42.906 -17.995 -5.711 1.00 42.65 N ATOM 834 HE ARG B 78 43.271 -18.555 -3.307 1.00 0.00 H ATOM 835 HH12 ARG B 78 40.440 -18.249 -6.252 1.00 0.00 H ATOM 836 HH11 ARG B 78 39.940 -18.748 -4.595 1.00 0.00 H ATOM 837 HH22 ARG B 78 42.661 -17.780 -6.699 1.00 0.00 H ATOM 838 HH21 ARG B 78 43.892 -17.914 -5.390 1.00 0.00 H ATOM 839 H ARG B 78 41.028 -17.678 1.850 1.00 0.00 H ATOM 840 N LEU B 79 42.910 -15.418 1.716 1.00 18.62 N ATOM 841 CA LEU B 79 43.511 -14.118 2.022 1.00 20.16 C ATOM 842 C LEU B 79 44.170 -14.056 3.403 1.00 23.45 C ATOM 843 O LEU B 79 45.330 -13.661 3.539 1.00 21.26 O ATOM 844 CB LEU B 79 42.422 -13.029 1.929 1.00 19.83 C ATOM 845 CG LEU B 79 42.913 -11.615 2.277 1.00 20.96 C ATOM 846 CD1 LEU B 79 43.932 -11.121 1.251 1.00 25.37 C ATOM 847 CD2 LEU B 79 41.769 -10.608 2.433 1.00 21.10 C ATOM 848 H LEU B 79 41.983 -15.660 2.121 1.00 0.00 H ATOM 849 N LEU B 80 43.415 -14.386 4.465 1.00 18.85 N ATOM 850 CA LEU B 80 43.840 -14.045 5.821 1.00 17.63 C ATOM 851 C LEU B 80 44.797 -15.065 6.424 1.00 21.37 C ATOM 852 O LEU B 80 45.854 -14.679 6.931 1.00 21.84 O ATOM 853 CB LEU B 80 42.633 -13.800 6.698 1.00 19.32 C ATOM 854 CG LEU B 80 41.709 -12.649 6.253 1.00 18.53 C ATOM 855 CD1 LEU B 80 40.470 -12.666 7.118 1.00 19.35 C ATOM 856 CD2 LEU B 80 42.392 -11.319 6.331 1.00 22.52 C ATOM 857 H LEU B 80 42.517 -14.890 4.320 1.00 0.00 H ATOM 858 N LEU B 81 44.474 -16.357 6.383 1.00 21.36 N ATOM 859 CA LEU B 81 45.398 -17.343 6.966 1.00 18.71 C ATOM 860 C LEU B 81 46.804 -17.290 6.389 1.00 21.93 C ATOM 861 O LEU B 81 47.766 -17.500 7.159 1.00 21.25 O ATOM 862 CB LEU B 81 44.834 -18.761 6.842 1.00 19.40 C ATOM 863 CG LEU B 81 43.778 -19.066 7.907 1.00 20.68 C ATOM 864 CD1 LEU B 81 43.060 -20.351 7.588 1.00 25.16 C ATOM 865 CD2 LEU B 81 44.380 -19.130 9.310 1.00 24.04 C ATOM 866 H LEU B 81 43.582 -16.664 5.945 1.00 0.00 H ATOM 867 N PRO B 82 47.011 -16.999 5.109 1.00 20.15 N ATOM 868 CA PRO B 82 48.394 -16.897 4.603 1.00 20.86 C ATOM 869 C PRO B 82 49.161 -15.692 5.132 1.00 21.71 C ATOM 870 O PRO B 82 50.398 -15.660 5.004 1.00 23.32 O ATOM 871 CB PRO B 82 48.222 -16.838 3.081 1.00 23.69 C ATOM 872 CG PRO B 82 46.898 -17.499 2.823 1.00 21.99 C ATOM 873 CD PRO B 82 46.026 -17.150 4.025 1.00 19.62 C ATOM 874 N LEU B 83 48.474 -14.692 5.686 1.00 19.97 N ATOM 875 CA LEU B 83 49.078 -13.447 6.096 1.00 19.03 C ATOM 876 C LEU B 83 49.059 -13.215 7.596 1.00 19.60 C ATOM 877 O LEU B 83 49.889 -12.445 8.080 1.00 22.18 O ATOM 878 CB LEU B 83 48.391 -12.250 5.413 1.00 19.12 C ATOM 879 CG LEU B 83 48.537 -12.092 3.913 1.00 23.01 C ATOM 880 CD1 LEU B 83 47.617 -11.009 3.378 1.00 22.57 C ATOM 881 CD2 LEU B 83 49.984 -11.765 3.563 1.00 27.16 C ATOM 882 H LEU B 83 47.451 -14.816 5.830 1.00 0.00 H ATOM 883 N PHE B 84 48.143 -13.855 8.341 1.00 19.14 N ATOM 884 CA PHE B 84 48.012 -13.648 9.776 1.00 19.80 C ATOM 885 C PHE B 84 48.162 -14.956 10.524 1.00 21.20 C ATOM 886 O PHE B 84 47.715 -16.010 10.065 1.00 21.10 O ATOM 887 CB PHE B 84 46.659 -13.012 10.099 1.00 20.35 C ATOM 888 CG PHE B 84 46.520 -11.681 9.474 1.00 21.21 C ATOM 889 CD1 PHE B 84 46.029 -11.560 8.200 1.00 19.40 C ATOM 890 CD2 PHE B 84 46.982 -10.549 10.124 1.00 20.76 C ATOM 891 CE1 PHE B 84 45.970 -10.351 7.573 1.00 21.90 C ATOM 892 CE2 PHE B 84 46.914 -9.316 9.502 1.00 21.56 C ATOM 893 CZ PHE B 84 46.429 -9.223 8.210 1.00 24.43 C ATOM 894 H PHE B 84 47.501 -14.526 7.873 1.00 0.00 H ATOM 895 N ARG B 85 48.810 -14.879 11.691 1.00 19.96 N ATOM 896 CA ARG B 85 49.130 -16.103 12.404 1.00 21.41 C ATOM 897 C ARG B 85 47.867 -16.833 12.836 1.00 22.63 C ATOM 898 O ARG B 85 47.764 -18.047 12.673 1.00 22.84 O ATOM 899 CB ARG B 85 50.037 -15.808 13.587 1.00 21.41 C ATOM 900 CG ARG B 85 50.417 -17.032 14.319 1.00 23.05 C ATOM 901 CD ARG B 85 51.082 -18.088 13.432 1.00 26.75 C ATOM 902 NE ARG B 85 51.659 -19.028 14.344 1.00 30.67 N ATOM 903 CZ ARG B 85 52.895 -18.918 14.847 1.00 29.46 C ATOM 904 NH1 ARG B 85 53.260 -19.771 15.758 1.00 27.88 N ATOM 905 NH2 ARG B 85 53.746 -17.985 14.412 1.00 28.99 N ATOM 906 HE ARG B 85 51.084 -19.845 14.633 1.00 0.00 H ATOM 907 HH12 ARG B 85 54.213 -19.715 16.171 1.00 0.00 H ATOM 908 HH11 ARG B 85 52.599 -20.509 16.074 1.00 0.00 H ATOM 909 HH22 ARG B 85 54.701 -17.921 14.820 1.00 0.00 H ATOM 910 HH21 ARG B 85 53.454 -17.322 13.666 1.00 0.00 H ATOM 911 H ARG B 85 49.081 -13.955 12.083 1.00 0.00 H ATOM 912 N GLU B 86 46.885 -16.100 13.346 1.00 21.93 N ATOM 913 CA GLU B 86 45.616 -16.664 13.753 1.00 24.53 C ATOM 914 C GLU B 86 44.505 -15.785 13.214 1.00 19.64 C ATOM 915 O GLU B 86 44.711 -14.609 12.937 1.00 21.25 O ATOM 916 CB GLU B 86 45.506 -16.698 15.254 1.00 25.52 C ATOM 917 CG GLU B 86 46.528 -17.673 15.861 1.00 34.28 C ATOM 918 CD GLU B 86 46.418 -17.768 17.359 1.00 29.26 C ATOM 919 OE1 GLU B 86 46.763 -16.789 18.053 1.00 32.19 O ATOM 920 OE2 GLU B 86 45.983 -18.837 17.822 1.00 32.03 O ATOM 921 H GLU B 86 47.034 -15.077 13.458 1.00 0.00 H ATOM 922 N VAL B 87 43.348 -16.394 13.026 1.00 18.51 N ATOM 923 CA VAL B 87 42.173 -15.726 12.471 1.00 20.25 C ATOM 924 C VAL B 87 40.993 -16.154 13.334 1.00 22.07 C ATOM 925 O VAL B 87 40.860 -17.332 13.670 1.00 22.90 O ATOM 926 CB VAL B 87 41.955 -16.065 10.993 1.00 21.59 C ATOM 927 CG1 VAL B 87 40.709 -15.374 10.466 1.00 22.30 C ATOM 928 CG2 VAL B 87 43.163 -15.639 10.167 1.00 24.03 C ATOM 929 H VAL B 87 43.270 -17.398 13.286 1.00 0.00 H ATOM 930 N ASP B 88 40.139 -15.214 13.672 1.00 18.34 N ATOM 931 CA ASP B 88 38.808 -15.463 14.210 1.00 17.50 C ATOM 932 C ASP B 88 37.789 -15.195 13.102 1.00 20.99 C ATOM 933 O ASP B 88 37.996 -14.322 12.260 1.00 19.61 O ATOM 934 CB ASP B 88 38.494 -14.552 15.380 1.00 18.42 C ATOM 935 CG ASP B 88 39.253 -14.908 16.646 1.00 24.50 C ATOM 936 OD1 ASP B 88 39.880 -15.987 16.667 1.00 25.13 O ATOM 937 OD2 ASP B 88 39.264 -14.076 17.595 1.00 23.71 O ATOM 938 H ASP B 88 40.433 -14.224 13.547 1.00 0.00 H ATOM 939 N MET B 89 36.677 -15.926 13.128 1.00 19.44 N ATOM 940 CA MET B 89 35.576 -15.745 12.180 1.00 16.73 C ATOM 941 C MET B 89 34.308 -15.413 12.942 1.00 19.53 C ATOM 942 O MET B 89 34.066 -15.971 14.020 1.00 19.92 O ATOM 943 CB MET B 89 35.331 -17.032 11.345 1.00 19.45 C ATOM 944 CG MET B 89 36.536 -17.393 10.535 1.00 20.08 C ATOM 945 SD MET B 89 36.356 -18.983 9.648 1.00 26.80 S ATOM 946 CE MET B 89 34.907 -18.772 8.673 1.00 28.52 C ATOM 947 H MET B 89 36.586 -16.662 13.857 1.00 0.00 H ATOM 948 N VAL B 90 33.485 -14.545 12.366 1.00 18.96 N ATOM 949 CA VAL B 90 32.146 -14.299 12.900 1.00 17.72 C ATOM 950 C VAL B 90 31.150 -14.306 11.746 1.00 17.43 C ATOM 951 O VAL B 90 31.386 -13.699 10.685 1.00 17.93 O ATOM 952 CB VAL B 90 32.064 -13.020 13.754 1.00 16.52 C ATOM 953 CG1 VAL B 90 32.498 -11.809 12.960 1.00 20.15 C ATOM 954 CG2 VAL B 90 30.650 -12.823 14.295 1.00 19.51 C ATOM 955 H VAL B 90 33.799 -14.030 11.519 1.00 0.00 H ATOM 956 N ASP B 91 30.023 -14.999 11.946 1.00 19.00 N ATOM 957 CA ASP B 91 28.999 -15.097 10.925 1.00 17.99 C ATOM 958 C ASP B 91 27.683 -15.448 11.626 1.00 18.81 C ATOM 959 O ASP B 91 27.695 -16.108 12.671 1.00 18.87 O ATOM 960 CB ASP B 91 29.332 -16.149 9.851 1.00 17.67 C ATOM 961 CG ASP B 91 28.536 -15.928 8.615 1.00 21.84 C ATOM 962 OD1 ASP B 91 27.375 -16.411 8.539 1.00 21.24 O ATOM 963 OD2 ASP B 91 29.029 -15.226 7.733 1.00 19.38 O ATOM 964 H ASP B 91 29.878 -15.479 12.857 1.00 0.00 H ATOM 965 N ILE B 92 26.562 -14.991 11.057 1.00 18.54 N ATOM 966 CA ILE B 92 25.242 -15.259 11.624 1.00 17.89 C ATOM 967 C ILE B 92 24.768 -16.675 11.310 1.00 19.21 C ATOM 968 O ILE B 92 23.901 -17.204 12.037 1.00 20.60 O ATOM 969 CB ILE B 92 24.213 -14.190 11.158 1.00 17.02 C ATOM 970 CG1 ILE B 92 23.036 -14.106 12.135 1.00 22.99 C ATOM 971 CG2 ILE B 92 23.800 -14.401 9.713 1.00 19.24 C ATOM 972 CD1 ILE B 92 22.129 -12.918 11.850 1.00 23.35 C ATOM 973 H ILE B 92 26.632 -14.428 10.185 1.00 0.00 H ATOM 974 N THR B 93 25.315 -17.313 10.274 1.00 17.61 N ATOM 975 CA THR B 93 24.764 -18.577 9.779 1.00 18.10 C ATOM 976 C THR B 93 25.525 -19.772 10.333 1.00 17.55 C ATOM 977 O THR B 93 26.654 -20.067 9.907 1.00 18.59 O ATOM 978 CB THR B 93 24.722 -18.581 8.258 1.00 18.82 C ATOM 979 OG1 THR B 93 23.960 -17.454 7.797 1.00 19.30 O ATOM 980 CG2 THR B 93 24.047 -19.814 7.768 1.00 20.23 C ATOM 981 HG1 THR B 93 23.038 -17.512 8.153 1.00 0.00 H ATOM 982 H THR B 93 26.150 -16.905 9.808 1.00 0.00 H ATOM 983 N GLU B 94 24.885 -20.492 11.261 1.00 18.86 N ATOM 984 CA GLU B 94 25.503 -21.653 11.873 1.00 20.02 C ATOM 985 C GLU B 94 26.020 -22.638 10.841 1.00 17.28 C ATOM 986 O GLU B 94 27.106 -23.213 11.011 1.00 18.06 O ATOM 987 CB GLU B 94 24.470 -22.374 12.766 1.00 21.11 C ATOM 988 CG GLU B 94 23.942 -21.599 13.964 1.00 23.24 C ATOM 989 CD GLU B 94 22.782 -20.648 13.634 1.00 27.61 C ATOM 990 OE1 GLU B 94 22.244 -20.079 14.613 1.00 29.23 O ATOM 991 OE2 GLU B 94 22.402 -20.470 12.432 1.00 25.72 O ATOM 992 H GLU B 94 23.925 -20.214 11.550 1.00 0.00 H ATOM 993 N ASP B 95 25.238 -22.904 9.800 1.00 18.32 N ATOM 994 CA ASP B 95 25.607 -23.931 8.837 1.00 20.02 C ATOM 995 C ASP B 95 26.926 -23.591 8.155 1.00 20.46 C ATOM 996 O ASP B 95 27.686 -24.492 7.756 1.00 20.50 O ATOM 997 CB ASP B 95 24.533 -24.069 7.757 1.00 18.08 C ATOM 998 CG ASP B 95 23.216 -24.561 8.275 1.00 25.59 C ATOM 999 OD1 ASP B 95 23.195 -25.249 9.338 1.00 24.33 O ATOM 1000 OD2 ASP B 95 22.199 -24.244 7.597 1.00 24.01 O ATOM 1001 H ASP B 95 24.353 -22.373 9.672 1.00 0.00 H ATOM 1002 N PHE B 96 27.227 -22.281 7.994 1.00 18.37 N ATOM 1003 CA PHE B 96 28.481 -21.919 7.344 1.00 18.36 C ATOM 1004 C PHE B 96 29.685 -22.084 8.274 1.00 19.69 C ATOM 1005 O PHE B 96 30.761 -22.523 7.837 1.00 21.26 O ATOM 1006 CB PHE B 96 28.444 -20.481 6.838 1.00 19.26 C ATOM 1007 CG PHE B 96 27.385 -20.209 5.802 1.00 16.79 C ATOM 1008 CD1 PHE B 96 26.845 -21.225 5.025 1.00 18.76 C ATOM 1009 CD2 PHE B 96 26.933 -18.913 5.584 1.00 16.97 C ATOM 1010 CE1 PHE B 96 25.881 -20.944 4.054 1.00 19.44 C ATOM 1011 CE2 PHE B 96 25.986 -18.643 4.631 1.00 21.42 C ATOM 1012 CZ PHE B 96 25.449 -19.660 3.868 1.00 19.21 C ATOM 1013 H PHE B 96 26.574 -21.544 8.329 1.00 0.00 H ATOM 1014 N LEU B 97 29.535 -21.745 9.554 1.00 19.28 N ATOM 1015 CA LEU B 97 30.618 -21.977 10.515 1.00 21.00 C ATOM 1016 C LEU B 97 30.938 -23.471 10.650 1.00 20.35 C ATOM 1017 O LEU B 97 32.104 -23.848 10.711 1.00 21.38 O ATOM 1018 CB LEU B 97 30.247 -21.355 11.855 1.00 20.10 C ATOM 1019 CG LEU B 97 30.040 -19.858 11.810 1.00 22.05 C ATOM 1020 CD1 LEU B 97 29.480 -19.392 13.171 1.00 27.33 C ATOM 1021 CD2 LEU B 97 31.356 -19.168 11.485 1.00 25.03 C ATOM 1022 H LEU B 97 28.644 -21.313 9.873 1.00 0.00 H ATOM 1023 N VAL B 98 29.911 -24.326 10.653 1.00 20.64 N ATOM 1024 CA VAL B 98 30.105 -25.774 10.710 1.00 20.69 C ATOM 1025 C VAL B 98 30.863 -26.263 9.488 1.00 23.61 C ATOM 1026 O VAL B 98 31.822 -27.035 9.607 1.00 23.86 O ATOM 1027 CB VAL B 98 28.747 -26.475 10.889 1.00 21.34 C ATOM 1028 CG1 VAL B 98 28.875 -27.974 10.665 1.00 24.41 C ATOM 1029 CG2 VAL B 98 28.245 -26.231 12.256 1.00 20.30 C ATOM 1030 H VAL B 98 28.942 -23.949 10.614 1.00 0.00 H ATOM 1031 N GLN B 99 30.453 -25.806 8.294 1.00 20.88 N ATOM 1032 CA GLN B 99 31.143 -26.208 7.063 1.00 21.11 C ATOM 1033 C GLN B 99 32.566 -25.680 7.015 1.00 19.03 C ATOM 1034 O GLN B 99 33.448 -26.298 6.406 1.00 19.66 O ATOM 1035 CB GLN B 99 30.369 -25.764 5.822 1.00 20.85 C ATOM 1036 CG GLN B 99 30.924 -26.335 4.523 1.00 23.67 C ATOM 1037 CD GLN B 99 30.752 -27.843 4.447 1.00 28.42 C ATOM 1038 OE1 GLN B 99 29.819 -28.399 5.042 1.00 31.62 O ATOM 1039 NE2 GLN B 99 31.619 -28.504 3.688 1.00 29.30 N ATOM 1040 HE22 GLN B 99 32.386 -27.992 3.208 1.00 0.00 H ATOM 1041 HE21 GLN B 99 31.530 -29.534 3.574 1.00 0.00 H ATOM 1042 H GLN B 99 29.639 -25.161 8.241 1.00 0.00 H ATOM 1043 N ALA B 100 32.810 -24.506 7.592 1.00 19.44 N ATOM 1044 CA ALA B 100 34.132 -23.900 7.550 1.00 21.82 C ATOM 1045 C ALA B 100 35.201 -24.829 8.097 1.00 19.35 C ATOM 1046 O ALA B 100 36.328 -24.855 7.578 1.00 20.54 O ATOM 1047 CB ALA B 100 34.126 -22.591 8.346 1.00 24.00 C ATOM 1048 H ALA B 100 32.039 -24.011 8.084 1.00 0.00 H ATOM 1049 N LYS B 101 34.874 -25.638 9.106 1.00 21.29 N ATOM 1050 CA LYS B 101 35.854 -26.582 9.632 1.00 22.78 C ATOM 1051 C LYS B 101 36.344 -27.510 8.529 1.00 23.05 C ATOM 1052 O LYS B 101 37.530 -27.854 8.473 1.00 25.62 O ATOM 1053 CB LYS B 101 35.208 -27.370 10.769 1.00 25.09 C ATOM 1054 CG LYS B 101 36.090 -28.480 11.371 1.00 27.58 C ATOM 1055 CD LYS B 101 37.244 -27.909 12.110 1.00 36.42 C ATOM 1056 CE LYS B 101 37.967 -29.010 12.904 1.00 46.78 C ATOM 1057 NZ LYS B 101 39.156 -28.489 13.636 1.00 45.11 N ATOM 1058 HZ1 LYS B 101 39.831 -28.085 12.956 1.00 0.00 H ATOM 1059 HZ2 LYS B 101 38.854 -27.753 14.306 1.00 0.00 H ATOM 1060 HZ3 LYS B 101 39.610 -29.267 14.156 1.00 0.00 H ATOM 1061 H LYS B 101 33.920 -25.596 9.518 1.00 0.00 H ATOM 1062 N THR B 102 35.448 -27.945 7.657 1.00 20.46 N ATOM 1063 CA THR B 102 35.859 -28.821 6.554 1.00 17.47 C ATOM 1064 C THR B 102 36.518 -28.036 5.443 1.00 21.01 C ATOM 1065 O THR B 102 37.584 -28.416 4.935 1.00 22.62 O ATOM 1066 CB THR B 102 34.621 -29.542 6.020 1.00 25.19 C ATOM 1067 OG1 THR B 102 34.086 -30.366 7.065 1.00 27.51 O ATOM 1068 CG2 THR B 102 34.925 -30.375 4.818 1.00 27.43 C ATOM 1069 HG1 THR B 102 34.768 -31.027 7.344 1.00 0.00 H ATOM 1070 H THR B 102 34.451 -27.665 7.754 1.00 0.00 H ATOM 1071 N TYR B 103 35.895 -26.931 5.060 1.00 22.28 N ATOM 1072 CA TYR B 103 36.364 -26.143 3.934 1.00 20.94 C ATOM 1073 C TYR B 103 37.783 -25.650 4.151 1.00 24.92 C ATOM 1074 O TYR B 103 38.599 -25.657 3.217 1.00 22.46 O ATOM 1075 CB TYR B 103 35.430 -24.951 3.726 1.00 23.20 C ATOM 1076 CG TYR B 103 35.892 -24.028 2.627 1.00 20.01 C ATOM 1077 CD1 TYR B 103 35.766 -24.389 1.304 1.00 25.05 C ATOM 1078 CD2 TYR B 103 36.516 -22.841 2.921 1.00 20.38 C ATOM 1079 CE1 TYR B 103 36.204 -23.564 0.308 1.00 24.32 C ATOM 1080 CE2 TYR B 103 36.985 -22.016 1.924 1.00 21.38 C ATOM 1081 CZ TYR B 103 36.812 -22.377 0.621 1.00 25.48 C ATOM 1082 OH TYR B 103 37.264 -21.559 -0.393 1.00 30.52 O ATOM 1083 HH TYR B 103 38.243 -21.440 -0.308 1.00 0.00 H ATOM 1084 H TYR B 103 35.049 -26.620 5.579 1.00 0.00 H ATOM 1085 N LEU B 104 38.099 -25.221 5.362 1.00 19.88 N ATOM 1086 CA LEU B 104 39.410 -24.639 5.604 1.00 19.59 C ATOM 1087 C LEU B 104 40.532 -25.661 5.640 1.00 26.73 C ATOM 1088 O LEU B 104 41.700 -25.270 5.525 1.00 27.69 O ATOM 1089 CB LEU B 104 39.403 -23.879 6.916 1.00 21.03 C ATOM 1090 CG LEU B 104 38.507 -22.659 7.008 1.00 22.60 C ATOM 1091 CD1 LEU B 104 38.450 -22.167 8.434 1.00 23.02 C ATOM 1092 CD2 LEU B 104 38.999 -21.567 6.081 1.00 27.39 C ATOM 1093 H LEU B 104 37.412 -25.300 6.139 1.00 0.00 H ATOM 1094 N GLY B 105 40.231 -26.931 5.845 1.00 24.52 N ATOM 1095 CA GLY B 105 41.287 -27.942 5.828 1.00 24.37 C ATOM 1096 C GLY B 105 42.280 -27.757 6.964 1.00 28.35 C ATOM 1097 O GLY B 105 41.962 -27.252 8.042 1.00 25.70 O ATOM 1098 H GLY B 105 39.245 -27.211 6.018 1.00 0.00 H ATOM 1099 N GLU B 106 43.522 -28.157 6.702 1.00 28.43 N ATOM 1100 CA GLU B 106 44.503 -28.209 7.786 1.00 30.17 C ATOM 1101 C GLU B 106 44.860 -26.833 8.342 1.00 25.07 C ATOM 1102 O GLU B 106 45.082 -26.697 9.557 1.00 26.52 O ATOM 1103 CB GLU B 106 45.750 -28.967 7.323 1.00 36.88 C ATOM 1104 CG GLU B 106 45.508 -30.460 7.187 1.00 33.89 C ATOM 1105 CD GLU B 106 44.994 -31.090 8.470 1.00 46.16 C ATOM 1106 OE1 GLU B 106 43.784 -31.401 8.549 1.00 56.52 O ATOM 1107 OE2 GLU B 106 45.792 -31.247 9.416 1.00 53.69 O ATOM 1108 H GLU B 106 43.793 -28.430 5.736 1.00 0.00 H ATOM 1109 N GLU B 107 44.989 -25.808 7.484 1.00 26.82 N ATOM 1110 CA GLU B 107 45.292 -24.481 8.023 1.00 30.17 C ATOM 1111 C GLU B 107 44.157 -23.907 8.847 1.00 27.05 C ATOM 1112 O GLU B 107 44.361 -22.952 9.601 1.00 27.07 O ATOM 1113 CB GLU B 107 45.671 -23.492 6.921 1.00 33.05 C ATOM 1114 CG GLU B 107 46.934 -23.836 6.167 1.00 34.41 C ATOM 1115 CD GLU B 107 48.163 -24.042 7.043 1.00 44.48 C ATOM 1116 OE1 GLU B 107 48.302 -23.428 8.139 1.00 35.96 O ATOM 1117 OE2 GLU B 107 48.996 -24.871 6.634 1.00 38.44 O ATOM 1118 H GLU B 107 44.876 -25.954 6.460 1.00 0.00 H ATOM 1119 N GLY B 108 42.956 -24.475 8.750 1.00 26.06 N ATOM 1120 CA GLY B 108 41.876 -24.088 9.636 1.00 25.22 C ATOM 1121 C GLY B 108 42.162 -24.310 11.108 1.00 23.06 C ATOM 1122 O GLY B 108 41.465 -23.761 11.967 1.00 26.61 O ATOM 1123 H GLY B 108 42.791 -25.206 8.029 1.00 0.00 H ATOM 1124 N LYS B 109 43.159 -25.142 11.435 1.00 23.08 N ATOM 1125 CA LYS B 109 43.541 -25.280 12.832 1.00 26.45 C ATOM 1126 C LYS B 109 44.086 -23.981 13.396 1.00 27.58 C ATOM 1127 O LYS B 109 44.143 -23.831 14.618 1.00 31.84 O ATOM 1128 CB LYS B 109 44.553 -26.418 12.957 1.00 26.64 C ATOM 1129 CG LYS B 109 43.890 -27.766 12.655 1.00 37.32 C ATOM 1130 CD LYS B 109 44.888 -28.916 12.600 1.00 48.10 C ATOM 1131 CE LYS B 109 44.199 -30.233 12.269 1.00 52.26 C ATOM 1132 NZ LYS B 109 45.176 -31.312 11.941 1.00 53.62 N ATOM 1133 HZ1 LYS B 109 45.742 -31.026 11.117 1.00 0.00 H ATOM 1134 HZ2 LYS B 109 45.803 -31.470 12.756 1.00 0.00 H ATOM 1135 HZ3 LYS B 109 44.662 -32.189 11.723 1.00 0.00 H ATOM 1136 H LYS B 109 43.655 -25.684 10.698 1.00 0.00 H ATOM 1137 N ARG B 110 44.416 -23.021 12.551 1.00 23.41 N ATOM 1138 CA ARG B 110 44.852 -21.705 13.024 1.00 21.26 C ATOM 1139 C ARG B 110 43.683 -20.736 13.186 1.00 27.02 C ATOM 1140 O ARG B 110 43.908 -19.562 13.522 1.00 26.69 O ATOM 1141 CB ARG B 110 45.944 -21.156 12.108 1.00 23.63 C ATOM 1142 CG ARG B 110 47.235 -21.950 12.170 1.00 23.28 C ATOM 1143 CD ARG B 110 48.373 -21.219 11.527 1.00 24.15 C ATOM 1144 NE ARG B 110 48.298 -21.209 10.081 1.00 25.20 N ATOM 1145 CZ ARG B 110 48.192 -20.119 9.326 1.00 21.20 C ATOM 1146 NH1 ARG B 110 48.155 -18.907 9.869 1.00 21.88 N ATOM 1147 NH2 ARG B 110 48.141 -20.255 8.023 1.00 23.12 N ATOM 1148 HE ARG B 110 48.330 -22.127 9.594 1.00 0.00 H ATOM 1149 HH12 ARG B 110 48.072 -18.067 9.261 1.00 0.00 H ATOM 1150 HH11 ARG B 110 48.209 -18.798 10.902 1.00 0.00 H ATOM 1151 HH22 ARG B 110 48.058 -19.415 7.415 1.00 0.00 H ATOM 1152 HH21 ARG B 110 48.183 -21.203 7.597 1.00 0.00 H ATOM 1153 H ARG B 110 44.365 -23.203 11.528 1.00 0.00 H ATOM 1154 N VAL B 111 42.443 -21.176 12.962 1.00 22.50 N ATOM 1155 CA VAL B 111 41.283 -20.364 13.331 1.00 21.74 C ATOM 1156 C VAL B 111 41.004 -20.579 14.806 1.00 25.34 C ATOM 1157 O VAL B 111 40.738 -21.707 15.247 1.00 31.03 O ATOM 1158 CB VAL B 111 40.055 -20.700 12.468 1.00 22.78 C ATOM 1159 CG1 VAL B 111 38.829 -19.965 13.003 1.00 23.57 C ATOM 1160 CG2 VAL B 111 40.356 -20.344 11.074 1.00 21.24 C ATOM 1161 H VAL B 111 42.300 -22.107 12.520 1.00 0.00 H ATOM 1162 N ARG B 112 41.102 -19.500 15.589 1.00 24.71 N ATOM 1163 CA ARG B 112 41.044 -19.578 17.041 1.00 27.38 C ATOM 1164 C ARG B 112 39.602 -19.675 17.536 1.00 30.44 C ATOM 1165 O ARG B 112 39.277 -20.565 18.333 1.00 35.57 O ATOM 1166 CB ARG B 112 41.803 -18.373 17.594 1.00 32.43 C ATOM 1167 CG ARG B 112 42.011 -18.312 19.070 1.00 46.95 C ATOM 1168 CD ARG B 112 42.808 -17.026 19.398 1.00 51.19 C ATOM 1169 NE ARG B 112 42.084 -15.797 19.018 1.00 41.90 N ATOM 1170 CZ ARG B 112 42.547 -14.557 19.182 1.00 51.47 C ATOM 1171 NH1 ARG B 112 43.758 -14.355 19.699 1.00 55.55 N ATOM 1172 NH2 ARG B 112 41.799 -13.515 18.839 1.00 40.59 N ATOM 1173 HE ARG B 112 41.142 -15.906 18.590 1.00 0.00 H ATOM 1174 HH12 ARG B 112 44.115 -13.386 19.825 1.00 0.00 H ATOM 1175 HH11 ARG B 112 44.347 -15.166 19.977 1.00 0.00 H ATOM 1176 HH22 ARG B 112 42.162 -12.549 18.968 1.00 0.00 H ATOM 1177 HH21 ARG B 112 40.850 -13.665 18.441 1.00 0.00 H ATOM 1178 H ARG B 112 41.224 -18.568 15.143 1.00 0.00 H ATOM 1179 N ASN B 113 38.715 -18.801 17.052 1.00 22.78 N ATOM 1180 CA ASN B 113 37.325 -18.745 17.449 1.00 22.49 C ATOM 1181 C ASN B 113 36.413 -18.671 16.232 1.00 22.75 C ATOM 1182 O ASN B 113 36.695 -17.921 15.280 1.00 23.40 O ATOM 1183 CB ASN B 113 37.019 -17.476 18.275 1.00 27.40 C ATOM 1184 CG ASN B 113 37.829 -17.399 19.556 1.00 41.62 C ATOM 1185 OD1 ASN B 113 38.797 -16.633 19.671 1.00 41.44 O ATOM 1186 ND2 ASN B 113 37.429 -18.189 20.516 1.00 36.62 N ATOM 1187 HD22 ASN B 113 36.610 -18.813 20.369 1.00 0.00 H ATOM 1188 HD21 ASN B 113 37.929 -18.194 21.428 1.00 0.00 H ATOM 1189 H ASN B 113 39.046 -18.116 16.343 1.00 0.00 H ATOM 1190 N TYR B 114 35.308 -19.400 16.299 1.00 22.03 N ATOM 1191 CA TYR B 114 34.198 -19.338 15.351 1.00 19.61 C ATOM 1192 C TYR B 114 33.012 -18.751 16.102 1.00 30.74 C ATOM 1193 O TYR B 114 32.303 -19.474 16.811 1.00 39.96 O ATOM 1194 CB TYR B 114 33.773 -20.724 14.860 1.00 21.15 C ATOM 1195 CG TYR B 114 34.801 -21.520 14.096 1.00 23.36 C ATOM 1196 CD1 TYR B 114 35.917 -22.050 14.721 1.00 25.39 C ATOM 1197 CD2 TYR B 114 34.601 -21.826 12.765 1.00 29.65 C ATOM 1198 CE1 TYR B 114 36.842 -22.800 14.014 1.00 25.85 C ATOM 1199 CE2 TYR B 114 35.511 -22.579 12.062 1.00 30.11 C ATOM 1200 CZ TYR B 114 36.622 -23.066 12.688 1.00 27.49 C ATOM 1201 OH TYR B 114 37.515 -23.835 11.937 1.00 29.33 O ATOM 1202 HH TYR B 114 38.268 -24.120 12.513 1.00 0.00 H ATOM 1203 H TYR B 114 35.224 -20.070 17.090 1.00 0.00 H ATOM 1204 N PHE B 115 32.785 -17.462 15.959 1.00 18.54 N ATOM 1205 CA PHE B 115 31.708 -16.805 16.655 1.00 17.78 C ATOM 1206 C PHE B 115 30.458 -16.834 15.786 1.00 20.83 C ATOM 1207 O PHE B 115 30.494 -16.500 14.598 1.00 18.26 O ATOM 1208 CB PHE B 115 32.068 -15.326 16.927 1.00 19.44 C ATOM 1209 CG PHE B 115 33.258 -15.111 17.823 1.00 23.74 C ATOM 1210 CD1 PHE B 115 33.164 -15.347 19.184 1.00 25.99 C ATOM 1211 CD2 PHE B 115 34.436 -14.598 17.318 1.00 20.32 C ATOM 1212 CE1 PHE B 115 34.236 -15.108 20.025 1.00 28.56 C ATOM 1213 CE2 PHE B 115 35.517 -14.358 18.168 1.00 22.14 C ATOM 1214 CZ PHE B 115 35.397 -14.630 19.512 1.00 22.71 C ATOM 1215 H PHE B 115 33.397 -16.905 15.329 1.00 0.00 H ATOM 1216 N CYS B 116 29.329 -17.209 16.380 1.00 20.84 N ATOM 1217 CA CYS B 116 28.051 -17.196 15.679 1.00 19.26 C ATOM 1218 C CYS B 116 27.225 -16.052 16.234 1.00 24.42 C ATOM 1219 O CYS B 116 26.711 -16.130 17.353 1.00 23.00 O ATOM 1220 CB CYS B 116 27.330 -18.526 15.803 1.00 22.54 C ATOM 1221 SG CYS B 116 25.810 -18.556 14.822 1.00 24.43 S ATOM 1222 H CYS B 116 29.359 -17.520 17.372 1.00 0.00 H ATOM 1223 N CYS B 117 27.114 -14.967 15.455 1.00 19.91 N ATOM 1224 CA CYS B 117 26.462 -13.757 15.938 1.00 20.99 C ATOM 1225 C CYS B 117 26.186 -12.870 14.744 1.00 24.01 C ATOM 1226 O CYS B 117 26.953 -12.865 13.781 1.00 22.41 O ATOM 1227 CB CYS B 117 27.400 -13.022 16.914 1.00 20.36 C ATOM 1228 SG CYS B 117 26.615 -11.801 17.924 1.00 26.72 S ATOM 1229 H CYS B 117 27.500 -14.989 14.489 1.00 0.00 H ATOM 1230 N GLY B 118 25.086 -12.123 14.810 1.00 21.50 N ATOM 1231 CA GLY B 118 24.915 -11.013 13.903 1.00 20.00 C ATOM 1232 C GLY B 118 25.850 -9.886 14.283 1.00 20.03 C ATOM 1233 O GLY B 118 26.079 -9.613 15.467 1.00 22.31 O ATOM 1234 H GLY B 118 24.351 -12.339 15.514 1.00 0.00 H ATOM 1235 N LEU B 119 26.400 -9.209 13.257 1.00 17.61 N ATOM 1236 CA LEU B 119 27.358 -8.148 13.558 1.00 18.83 C ATOM 1237 C LEU B 119 26.715 -7.060 14.401 1.00 19.82 C ATOM 1238 O LEU B 119 27.408 -6.438 15.228 1.00 21.78 O ATOM 1239 CB LEU B 119 27.961 -7.546 12.289 1.00 21.96 C ATOM 1240 CG LEU B 119 28.703 -8.496 11.345 1.00 18.77 C ATOM 1241 CD1 LEU B 119 29.334 -7.691 10.204 1.00 19.92 C ATOM 1242 CD2 LEU B 119 29.745 -9.353 12.057 1.00 22.41 C ATOM 1243 H LEU B 119 26.149 -9.436 12.274 1.00 0.00 H ATOM 1244 N GLN B 120 25.414 -6.821 14.200 1.00 22.48 N ATOM 1245 CA GLN B 120 24.712 -5.798 14.967 1.00 23.73 C ATOM 1246 C GLN B 120 24.670 -6.104 16.451 1.00 26.68 C ATOM 1247 O GLN B 120 24.372 -5.203 17.251 1.00 25.76 O ATOM 1248 CB GLN B 120 23.310 -5.603 14.407 1.00 21.20 C ATOM 1249 CG GLN B 120 22.326 -6.752 14.616 1.00 23.41 C ATOM 1250 CD GLN B 120 22.382 -7.828 13.552 1.00 24.83 C ATOM 1251 OE1 GLN B 120 23.409 -8.065 12.901 1.00 22.02 O ATOM 1252 NE2 GLN B 120 21.259 -8.513 13.373 1.00 27.02 N ATOM 1253 HE22 GLN B 120 20.416 -8.286 13.938 1.00 0.00 H ATOM 1254 HE21 GLN B 120 21.222 -9.277 12.668 1.00 0.00 H ATOM 1255 H GLN B 120 24.896 -7.373 13.487 1.00 0.00 H ATOM 1256 N ASP B 121 24.946 -7.347 16.829 1.00 22.54 N ATOM 1257 CA ASP B 121 24.976 -7.787 18.221 1.00 27.25 C ATOM 1258 C ASP B 121 26.361 -8.189 18.704 1.00 25.51 C ATOM 1259 O ASP B 121 26.508 -8.599 19.861 1.00 25.67 O ATOM 1260 CB ASP B 121 24.019 -8.976 18.394 1.00 27.32 C ATOM 1261 CG ASP B 121 22.586 -8.630 18.069 1.00 31.08 C ATOM 1262 OD1 ASP B 121 22.127 -7.524 18.428 1.00 32.20 O ATOM 1263 OD2 ASP B 121 21.918 -9.482 17.458 1.00 33.11 O ATOM 1264 H ASP B 121 25.153 -8.049 16.090 1.00 0.00 H ATOM 1265 N PHE B 122 27.381 -8.082 17.858 1.00 20.24 N ATOM 1266 CA PHE B 122 28.707 -8.599 18.131 1.00 21.38 C ATOM 1267 C PHE B 122 29.644 -7.516 18.641 1.00 20.06 C ATOM 1268 O PHE B 122 29.738 -6.427 18.048 1.00 22.14 O ATOM 1269 CB PHE B 122 29.301 -9.205 16.847 1.00 21.64 C ATOM 1270 CG PHE B 122 30.603 -9.928 17.063 1.00 20.68 C ATOM 1271 CD1 PHE B 122 30.665 -11.068 17.846 1.00 23.20 C ATOM 1272 CD2 PHE B 122 31.762 -9.476 16.455 1.00 21.13 C ATOM 1273 CE1 PHE B 122 31.902 -11.722 18.048 1.00 24.37 C ATOM 1274 CE2 PHE B 122 32.966 -10.123 16.640 1.00 21.80 C ATOM 1275 CZ PHE B 122 33.040 -11.234 17.453 1.00 24.07 C ATOM 1276 H PHE B 122 27.218 -7.601 16.950 1.00 0.00 H ATOM 1277 N THR B 123 30.369 -7.832 19.709 1.00 20.33 N ATOM 1278 CA THR B 123 31.421 -6.973 20.247 1.00 21.41 C ATOM 1279 C THR B 123 32.755 -7.689 20.179 1.00 23.47 C ATOM 1280 O THR B 123 33.023 -8.608 20.975 1.00 22.34 O ATOM 1281 CB THR B 123 31.092 -6.609 21.694 1.00 27.08 C ATOM 1282 OG1 THR B 123 29.794 -6.016 21.710 1.00 27.34 O ATOM 1283 CG2 THR B 123 32.095 -5.626 22.248 1.00 30.29 C ATOM 1284 HG1 THR B 123 29.132 -6.663 21.359 1.00 0.00 H ATOM 1285 H THR B 123 30.178 -8.736 20.186 1.00 0.00 H ATOM 1286 N PRO B 124 33.622 -7.316 19.238 1.00 22.76 N ATOM 1287 CA PRO B 124 34.973 -7.894 19.229 1.00 24.67 C ATOM 1288 C PRO B 124 35.751 -7.525 20.481 1.00 29.27 C ATOM 1289 O PRO B 124 35.552 -6.459 21.073 1.00 29.28 O ATOM 1290 CB PRO B 124 35.613 -7.304 17.974 1.00 26.10 C ATOM 1291 CG PRO B 124 34.820 -6.112 17.631 1.00 33.29 C ATOM 1292 CD PRO B 124 33.412 -6.362 18.129 1.00 24.93 C ATOM 1293 N GLU B 125 36.649 -8.423 20.893 1.00 28.03 N ATOM 1294 CA GLU B 125 37.377 -8.203 22.140 1.00 33.06 C ATOM 1295 C GLU B 125 38.339 -7.028 21.996 1.00 26.46 C ATOM 1296 O GLU B 125 38.980 -6.868 20.952 1.00 26.98 O ATOM 1297 CB GLU B 125 38.166 -9.458 22.541 1.00 33.47 C ATOM 1298 CG GLU B 125 37.304 -10.544 23.171 1.00 59.07 C ATOM 1299 CD GLU B 125 36.733 -10.144 24.525 1.00 39.31 C ATOM 1300 OE1 GLU B 125 37.443 -9.479 25.303 1.00 46.99 O ATOM 1301 OE2 GLU B 125 35.573 -10.499 24.819 1.00 44.62 O ATOM 1302 H GLU B 125 36.830 -9.277 20.328 1.00 0.00 H ATOM 1303 N PRO B 126 38.473 -6.186 23.020 1.00 29.10 N ATOM 1304 CA PRO B 126 39.411 -5.067 22.915 1.00 28.14 C ATOM 1305 C PRO B 126 40.842 -5.519 22.659 1.00 28.37 C ATOM 1306 O PRO B 126 41.275 -6.574 23.114 1.00 28.49 O ATOM 1307 CB PRO B 126 39.289 -4.373 24.287 1.00 34.94 C ATOM 1308 CG PRO B 126 37.914 -4.710 24.748 1.00 37.26 C ATOM 1309 CD PRO B 126 37.660 -6.107 24.252 1.00 35.83 C ATOM 1310 N ASP B 127 41.561 -4.700 21.889 1.00 28.81 N ATOM 1311 CA ASP B 127 43.002 -4.851 21.660 1.00 31.30 C ATOM 1312 C ASP B 127 43.368 -6.263 21.216 1.00 34.27 C ATOM 1313 O ASP B 127 44.287 -6.892 21.735 1.00 32.91 O ATOM 1314 CB ASP B 127 43.787 -4.421 22.904 1.00 39.40 C ATOM 1315 CG ASP B 127 45.291 -4.487 22.696 1.00 41.90 C ATOM 1316 OD1 ASP B 127 45.799 -3.748 21.838 1.00 44.66 O ATOM 1317 OD2 ASP B 127 45.961 -5.279 23.391 1.00 49.65 O ATOM 1318 H ASP B 127 41.071 -3.909 21.424 1.00 0.00 H ATOM 1319 N SER B 128 42.654 -6.760 20.198 1.00 24.80 N ATOM 1320 CA SER B 128 42.773 -8.149 19.800 1.00 21.69 C ATOM 1321 C SER B 128 43.184 -8.366 18.362 1.00 24.04 C ATOM 1322 O SER B 128 43.788 -9.415 18.060 1.00 23.81 O ATOM 1323 CB SER B 128 41.445 -8.877 19.988 1.00 25.64 C ATOM 1324 OG SER B 128 41.113 -9.006 21.353 1.00 33.49 O ATOM 1325 HG SER B 128 41.037 -8.106 21.759 1.00 0.00 H ATOM 1326 H SER B 128 42.001 -6.137 19.682 1.00 0.00 H ATOM 1327 N TYR B 129 42.872 -7.442 17.455 1.00 20.94 N ATOM 1328 CA TYR B 129 43.072 -7.714 16.045 1.00 21.00 C ATOM 1329 C TYR B 129 43.943 -6.688 15.351 1.00 20.47 C ATOM 1330 O TYR B 129 43.775 -5.484 15.517 1.00 21.74 O ATOM 1331 CB TYR B 129 41.737 -7.790 15.325 1.00 23.17 C ATOM 1332 CG TYR B 129 40.840 -8.835 15.921 1.00 19.33 C ATOM 1333 CD1 TYR B 129 41.123 -10.168 15.789 1.00 21.05 C ATOM 1334 CD2 TYR B 129 39.706 -8.461 16.640 1.00 21.65 C ATOM 1335 CE1 TYR B 129 40.289 -11.129 16.342 1.00 21.13 C ATOM 1336 CE2 TYR B 129 38.854 -9.416 17.183 1.00 21.27 C ATOM 1337 CZ TYR B 129 39.159 -10.744 17.043 1.00 20.22 C ATOM 1338 OH TYR B 129 38.315 -11.671 17.609 1.00 21.73 O ATOM 1339 HH TYR B 129 38.658 -12.582 17.429 1.00 0.00 H ATOM 1340 H TYR B 129 42.485 -6.526 17.758 1.00 0.00 H ATOM 1341 N ASP B 130 44.833 -7.192 14.512 1.00 20.87 N ATOM 1342 CA ASP B 130 45.617 -6.343 13.626 1.00 20.01 C ATOM 1343 C ASP B 130 44.807 -5.905 12.418 1.00 22.05 C ATOM 1344 O ASP B 130 44.953 -4.772 11.942 1.00 21.29 O ATOM 1345 CB ASP B 130 46.856 -7.097 13.168 1.00 20.74 C ATOM 1346 CG ASP B 130 47.769 -7.436 14.335 1.00 25.74 C ATOM 1347 OD1 ASP B 130 48.253 -6.502 15.014 1.00 27.06 O ATOM 1348 OD2 ASP B 130 47.938 -8.637 14.643 1.00 24.27 O ATOM 1349 H ASP B 130 44.977 -8.222 14.484 1.00 0.00 H ATOM 1350 N VAL B 131 43.943 -6.783 11.919 1.00 20.75 N ATOM 1351 CA VAL B 131 43.101 -6.477 10.765 1.00 19.68 C ATOM 1352 C VAL B 131 41.714 -7.032 11.032 1.00 19.37 C ATOM 1353 O VAL B 131 41.571 -8.207 11.407 1.00 18.71 O ATOM 1354 CB VAL B 131 43.649 -7.026 9.439 1.00 21.05 C ATOM 1355 CG1 VAL B 131 42.604 -6.889 8.328 1.00 22.70 C ATOM 1356 CG2 VAL B 131 44.912 -6.245 9.060 1.00 17.16 C ATOM 1357 H VAL B 131 43.864 -7.719 12.365 1.00 0.00 H ATOM 1358 N ILE B 132 40.700 -6.204 10.825 1.00 17.36 N ATOM 1359 CA ILE B 132 39.304 -6.618 10.853 1.00 15.22 C ATOM 1360 C ILE B 132 38.783 -6.454 9.441 1.00 19.47 C ATOM 1361 O ILE B 132 38.737 -5.330 8.918 1.00 18.49 O ATOM 1362 CB ILE B 132 38.487 -5.785 11.861 1.00 18.15 C ATOM 1363 CG1 ILE B 132 39.017 -6.035 13.291 1.00 18.96 C ATOM 1364 CG2 ILE B 132 37.003 -6.145 11.784 1.00 18.15 C ATOM 1365 CD1 ILE B 132 38.352 -5.124 14.365 1.00 21.40 C ATOM 1366 H ILE B 132 40.913 -5.204 10.632 1.00 0.00 H ATOM 1367 N TRP B 133 38.418 -7.572 8.804 1.00 17.17 N ATOM 1368 CA TRP B 133 38.035 -7.622 7.402 1.00 15.91 C ATOM 1369 C TRP B 133 36.524 -7.814 7.295 1.00 16.98 C ATOM 1370 O TRP B 133 35.985 -8.754 7.859 1.00 19.97 O ATOM 1371 CB TRP B 133 38.777 -8.776 6.681 1.00 17.72 C ATOM 1372 CG TRP B 133 38.705 -8.672 5.232 1.00 17.31 C ATOM 1373 CD1 TRP B 133 37.706 -9.152 4.398 1.00 18.77 C ATOM 1374 CD2 TRP B 133 39.640 -8.007 4.370 1.00 17.03 C ATOM 1375 NE1 TRP B 133 37.970 -8.821 3.105 1.00 20.13 N ATOM 1376 CE2 TRP B 133 39.147 -8.121 3.047 1.00 18.82 C ATOM 1377 CE3 TRP B 133 40.849 -7.333 4.582 1.00 19.22 C ATOM 1378 CZ2 TRP B 133 39.800 -7.568 1.963 1.00 18.69 C ATOM 1379 CZ3 TRP B 133 41.487 -6.786 3.500 1.00 21.95 C ATOM 1380 CH2 TRP B 133 40.967 -6.915 2.206 1.00 18.85 C ATOM 1381 HE1 TRP B 133 37.372 -9.061 2.289 1.00 0.00 H ATOM 1382 H TRP B 133 38.407 -8.460 9.345 1.00 0.00 H ATOM 1383 N ILE B 134 35.843 -6.911 6.578 1.00 18.41 N ATOM 1384 CA ILE B 134 34.384 -6.874 6.543 1.00 16.98 C ATOM 1385 C ILE B 134 34.020 -6.829 5.066 1.00 18.50 C ATOM 1386 O ILE B 134 34.067 -5.762 4.447 1.00 20.50 O ATOM 1387 CB ILE B 134 33.835 -5.649 7.279 1.00 16.76 C ATOM 1388 CG1 ILE B 134 34.376 -5.505 8.707 1.00 17.34 C ATOM 1389 CG2 ILE B 134 32.336 -5.744 7.328 1.00 19.56 C ATOM 1390 CD1 ILE B 134 34.053 -4.103 9.341 1.00 18.98 C ATOM 1391 H ILE B 134 36.374 -6.209 6.025 1.00 0.00 H ATOM 1392 N GLN B 135 33.672 -7.970 4.481 1.00 16.86 N ATOM 1393 CA GLN B 135 33.470 -8.037 3.041 1.00 15.24 C ATOM 1394 C GLN B 135 32.085 -8.566 2.660 1.00 16.90 C ATOM 1395 O GLN B 135 31.655 -9.640 3.090 1.00 19.60 O ATOM 1396 CB GLN B 135 34.584 -8.869 2.365 1.00 16.85 C ATOM 1397 CG GLN B 135 34.367 -8.900 0.860 1.00 18.64 C ATOM 1398 CD GLN B 135 35.602 -9.143 0.049 1.00 22.06 C ATOM 1399 OE1 GLN B 135 36.697 -9.205 0.573 1.00 18.41 O ATOM 1400 NE2 GLN B 135 35.421 -9.309 -1.255 1.00 19.94 N ATOM 1401 HE22 GLN B 135 34.465 -9.247 -1.659 1.00 0.00 H ATOM 1402 HE21 GLN B 135 36.235 -9.501 -1.873 1.00 0.00 H ATOM 1403 H GLN B 135 33.542 -8.825 5.059 1.00 0.00 H ATOM 1404 N TRP B 136 31.395 -7.796 1.835 1.00 16.75 N ATOM 1405 CA TRP B 136 30.091 -8.155 1.287 1.00 17.96 C ATOM 1406 C TRP B 136 29.062 -8.447 2.381 1.00 19.50 C ATOM 1407 O TRP B 136 28.179 -9.311 2.216 1.00 24.01 O ATOM 1408 CB TRP B 136 30.205 -9.267 0.253 1.00 20.69 C ATOM 1409 CG TRP B 136 30.701 -8.749 -1.091 1.00 18.57 C ATOM 1410 CD1 TRP B 136 30.348 -7.575 -1.699 1.00 19.98 C ATOM 1411 CD2 TRP B 136 31.601 -9.399 -1.972 1.00 16.91 C ATOM 1412 NE1 TRP B 136 30.965 -7.477 -2.919 1.00 19.09 N ATOM 1413 CE2 TRP B 136 31.769 -8.569 -3.099 1.00 22.01 C ATOM 1414 CE3 TRP B 136 32.293 -10.618 -1.921 1.00 17.68 C ATOM 1415 CZ2 TRP B 136 32.610 -8.910 -4.164 1.00 20.30 C ATOM 1416 CZ3 TRP B 136 33.126 -10.942 -2.945 1.00 18.84 C ATOM 1417 CH2 TRP B 136 33.299 -10.100 -4.055 1.00 19.49 C ATOM 1418 HE1 TRP B 136 30.842 -6.699 -3.598 1.00 0.00 H ATOM 1419 H TRP B 136 31.806 -6.881 1.561 1.00 0.00 H ATOM 1420 N VAL B 137 29.112 -7.682 3.471 1.00 18.78 N ATOM 1421 CA VAL B 137 28.165 -7.864 4.552 1.00 18.15 C ATOM 1422 C VAL B 137 27.624 -6.547 5.107 1.00 20.68 C ATOM 1423 O VAL B 137 26.606 -6.558 5.794 1.00 19.58 O ATOM 1424 CB VAL B 137 28.731 -8.793 5.652 1.00 20.86 C ATOM 1425 CG1 VAL B 137 29.888 -8.149 6.399 1.00 20.80 C ATOM 1426 CG2 VAL B 137 27.653 -9.259 6.668 1.00 21.18 C ATOM 1427 H VAL B 137 29.841 -6.944 3.547 1.00 0.00 H ATOM 1428 N ILE B 138 28.269 -5.402 4.799 1.00 20.76 N ATOM 1429 CA ILE B 138 27.771 -4.132 5.355 1.00 20.64 C ATOM 1430 C ILE B 138 26.368 -3.818 4.879 1.00 21.90 C ATOM 1431 O ILE B 138 25.627 -3.109 5.574 1.00 19.26 O ATOM 1432 CB ILE B 138 28.710 -2.916 5.157 1.00 21.01 C ATOM 1433 CG1 ILE B 138 28.758 -2.481 3.700 1.00 22.79 C ATOM 1434 CG2 ILE B 138 30.037 -3.225 5.807 1.00 24.79 C ATOM 1435 CD1 ILE B 138 29.209 -1.016 3.528 1.00 23.11 C ATOM 1436 H ILE B 138 29.104 -5.416 4.179 1.00 0.00 H ATOM 1437 N GLY B 139 25.965 -4.339 3.703 1.00 17.78 N ATOM 1438 CA GLY B 139 24.615 -4.154 3.205 1.00 18.49 C ATOM 1439 C GLY B 139 23.569 -4.852 4.049 1.00 19.77 C ATOM 1440 O GLY B 139 22.373 -4.597 3.881 1.00 21.58 O ATOM 1441 H GLY B 139 26.641 -4.889 3.136 1.00 0.00 H ATOM 1442 N HIS B 140 23.992 -5.748 4.935 1.00 19.72 N ATOM 1443 CA HIS B 140 23.060 -6.432 5.818 1.00 18.47 C ATOM 1444 C HIS B 140 22.832 -5.717 7.133 1.00 17.91 C ATOM 1445 O HIS B 140 22.077 -6.213 7.978 1.00 20.47 O ATOM 1446 CB HIS B 140 23.540 -7.882 6.046 1.00 18.60 C ATOM 1447 CG HIS B 140 23.125 -8.818 4.953 1.00 19.49 C ATOM 1448 ND1 HIS B 140 21.805 -9.057 4.628 1.00 18.86 N ATOM 1449 CD2 HIS B 140 23.866 -9.572 4.102 1.00 18.70 C ATOM 1450 CE1 HIS B 140 21.759 -9.929 3.627 1.00 18.41 C ATOM 1451 NE2 HIS B 140 22.997 -10.242 3.281 1.00 18.52 N ATOM 1452 H HIS B 140 25.007 -5.964 4.998 1.00 0.00 H ATOM 1453 N LEU B 141 23.467 -4.574 7.360 1.00 18.78 N ATOM 1454 CA LEU B 141 23.264 -3.823 8.590 1.00 19.99 C ATOM 1455 C LEU B 141 22.557 -2.511 8.261 1.00 19.43 C ATOM 1456 O LEU B 141 22.788 -1.919 7.208 1.00 19.99 O ATOM 1457 CB LEU B 141 24.609 -3.464 9.228 1.00 21.57 C ATOM 1458 CG LEU B 141 25.519 -4.644 9.546 1.00 29.15 C ATOM 1459 CD1 LEU B 141 26.809 -4.186 10.307 1.00 24.68 C ATOM 1460 CD2 LEU B 141 24.767 -5.733 10.275 1.00 24.74 C ATOM 1461 H LEU B 141 24.124 -4.207 6.643 1.00 0.00 H ATOM 1462 N THR B 142 21.707 -2.062 9.191 1.00 20.07 N ATOM 1463 CA THR B 142 21.153 -0.712 9.053 1.00 19.59 C ATOM 1464 C THR B 142 22.290 0.327 9.136 1.00 21.20 C ATOM 1465 O THR B 142 23.403 0.039 9.583 1.00 22.25 O ATOM 1466 CB THR B 142 20.175 -0.410 10.194 1.00 19.09 C ATOM 1467 OG1 THR B 142 20.860 -0.433 11.459 1.00 21.56 O ATOM 1468 CG2 THR B 142 18.996 -1.406 10.197 1.00 23.10 C ATOM 1469 HG1 THR B 142 20.216 -0.237 12.185 1.00 0.00 H ATOM 1470 H THR B 142 21.443 -2.661 9.999 1.00 0.00 H ATOM 1471 N ASP B 143 22.016 1.549 8.688 1.00 19.49 N ATOM 1472 CA ASP B 143 23.045 2.576 8.760 1.00 19.26 C ATOM 1473 C ASP B 143 23.525 2.756 10.190 1.00 17.36 C ATOM 1474 O ASP B 143 24.735 2.924 10.452 1.00 20.51 O ATOM 1475 CB ASP B 143 22.511 3.924 8.257 1.00 21.07 C ATOM 1476 CG ASP B 143 22.284 3.990 6.752 1.00 31.05 C ATOM 1477 OD1 ASP B 143 22.379 2.978 6.052 1.00 25.49 O ATOM 1478 OD2 ASP B 143 21.999 5.112 6.246 1.00 31.55 O ATOM 1479 H ASP B 143 21.080 1.768 8.292 1.00 0.00 H ATOM 1480 N GLN B 144 22.592 2.802 11.140 1.00 19.55 N ATOM 1481 CA GLN B 144 22.970 3.018 12.527 1.00 19.96 C ATOM 1482 C GLN B 144 23.777 1.857 13.090 1.00 22.46 C ATOM 1483 O GLN B 144 24.804 2.067 13.751 1.00 20.83 O ATOM 1484 CB GLN B 144 21.721 3.292 13.360 1.00 21.12 C ATOM 1485 CG GLN B 144 22.021 3.713 14.782 1.00 20.76 C ATOM 1486 CD GLN B 144 22.712 5.058 14.906 1.00 21.38 C ATOM 1487 OE1 GLN B 144 22.672 5.888 13.993 1.00 25.57 O ATOM 1488 NE2 GLN B 144 23.352 5.283 16.063 1.00 25.36 N ATOM 1489 HE22 GLN B 144 23.359 4.553 16.804 1.00 0.00 H ATOM 1490 HE21 GLN B 144 23.842 6.187 16.219 1.00 0.00 H ATOM 1491 H GLN B 144 21.590 2.683 10.888 1.00 0.00 H ATOM 1492 N HIS B 145 23.361 0.621 12.799 1.00 20.00 N ATOM 1493 CA HIS B 145 24.103 -0.515 13.309 1.00 20.09 C ATOM 1494 C HIS B 145 25.465 -0.639 12.676 1.00 21.86 C ATOM 1495 O HIS B 145 26.407 -1.090 13.337 1.00 20.79 O ATOM 1496 CB HIS B 145 23.316 -1.801 13.086 1.00 21.87 C ATOM 1497 CG HIS B 145 22.159 -1.955 14.006 1.00 21.96 C ATOM 1498 ND1 HIS B 145 21.072 -2.754 13.695 1.00 19.93 N ATOM 1499 CD2 HIS B 145 21.928 -1.454 15.244 1.00 29.67 C ATOM 1500 CE1 HIS B 145 20.211 -2.707 14.702 1.00 29.30 C ATOM 1501 NE2 HIS B 145 20.706 -1.929 15.649 1.00 30.76 N ATOM 1502 H HIS B 145 22.514 0.476 12.213 1.00 0.00 H ATOM 1503 N LEU B 146 25.593 -0.261 11.407 1.00 19.46 N ATOM 1504 CA LEU B 146 26.909 -0.251 10.773 1.00 18.07 C ATOM 1505 C LEU B 146 27.860 0.699 11.502 1.00 21.07 C ATOM 1506 O LEU B 146 28.997 0.344 11.827 1.00 20.31 O ATOM 1507 CB LEU B 146 26.761 0.184 9.317 1.00 21.30 C ATOM 1508 CG LEU B 146 28.065 0.309 8.549 1.00 21.42 C ATOM 1509 CD1 LEU B 146 28.948 -0.944 8.658 1.00 22.02 C ATOM 1510 CD2 LEU B 146 27.775 0.645 7.110 1.00 22.65 C ATOM 1511 H LEU B 146 24.754 0.028 10.865 1.00 0.00 H ATOM 1512 N ALA B 147 27.411 1.925 11.749 1.00 19.96 N ATOM 1513 CA ALA B 147 28.249 2.880 12.457 1.00 19.34 C ATOM 1514 C ALA B 147 28.666 2.360 13.823 1.00 20.45 C ATOM 1515 O ALA B 147 29.835 2.466 14.216 1.00 19.63 O ATOM 1516 CB ALA B 147 27.466 4.189 12.610 1.00 20.48 C ATOM 1517 H ALA B 147 26.459 2.202 11.436 1.00 0.00 H ATOM 1518 N GLU B 148 27.703 1.852 14.598 1.00 19.98 N ATOM 1519 CA GLU B 148 28.010 1.370 15.938 1.00 20.99 C ATOM 1520 C GLU B 148 28.936 0.175 15.895 1.00 20.53 C ATOM 1521 O GLU B 148 29.853 0.089 16.700 1.00 19.02 O ATOM 1522 CB GLU B 148 26.729 1.052 16.706 1.00 20.60 C ATOM 1523 CG GLU B 148 25.931 2.363 16.918 1.00 20.23 C ATOM 1524 CD GLU B 148 24.609 2.213 17.636 1.00 34.43 C ATOM 1525 OE1 GLU B 148 24.194 1.060 17.888 1.00 33.69 O ATOM 1526 OE2 GLU B 148 23.988 3.277 17.957 1.00 31.53 O ATOM 1527 H GLU B 148 26.727 1.800 14.242 1.00 0.00 H ATOM 1528 N PHE B 149 28.732 -0.741 14.928 1.00 20.45 N ATOM 1529 CA PHE B 149 29.648 -1.872 14.789 1.00 19.10 C ATOM 1530 C PHE B 149 31.069 -1.417 14.501 1.00 20.61 C ATOM 1531 O PHE B 149 32.041 -1.930 15.079 1.00 20.36 O ATOM 1532 CB PHE B 149 29.131 -2.875 13.745 1.00 19.82 C ATOM 1533 CG PHE B 149 30.053 -4.046 13.543 1.00 19.64 C ATOM 1534 CD1 PHE B 149 30.285 -4.936 14.577 1.00 19.71 C ATOM 1535 CD2 PHE B 149 30.741 -4.209 12.358 1.00 22.01 C ATOM 1536 CE1 PHE B 149 31.179 -5.971 14.433 1.00 20.41 C ATOM 1537 CE2 PHE B 149 31.604 -5.290 12.200 1.00 18.92 C ATOM 1538 CZ PHE B 149 31.820 -6.158 13.218 1.00 19.89 C ATOM 1539 H PHE B 149 27.924 -0.644 14.281 1.00 0.00 H ATOM 1540 N LEU B 150 31.229 -0.469 13.570 1.00 18.55 N ATOM 1541 CA LEU B 150 32.574 0.009 13.279 1.00 19.39 C ATOM 1542 C LEU B 150 33.210 0.674 14.499 1.00 19.22 C ATOM 1543 O LEU B 150 34.419 0.560 14.722 1.00 20.01 O ATOM 1544 CB LEU B 150 32.542 0.969 12.098 1.00 18.82 C ATOM 1545 CG LEU B 150 32.065 0.449 10.751 1.00 20.42 C ATOM 1546 CD1 LEU B 150 31.950 1.578 9.720 1.00 21.73 C ATOM 1547 CD2 LEU B 150 33.083 -0.632 10.283 1.00 19.49 C ATOM 1548 H LEU B 150 30.408 -0.081 13.063 1.00 0.00 H ATOM 1549 N ARG B 151 32.421 1.377 15.309 1.00 19.03 N ATOM 1550 CA ARG B 151 32.970 1.940 16.539 1.00 17.91 C ATOM 1551 C ARG B 151 33.425 0.851 17.484 1.00 20.49 C ATOM 1552 O ARG B 151 34.472 0.982 18.113 1.00 21.59 O ATOM 1553 CB ARG B 151 31.975 2.913 17.163 1.00 21.34 C ATOM 1554 CG ARG B 151 31.812 4.204 16.331 1.00 22.08 C ATOM 1555 CD ARG B 151 30.575 5.001 16.723 1.00 22.89 C ATOM 1556 NE ARG B 151 30.628 5.426 18.115 1.00 25.36 N ATOM 1557 CZ ARG B 151 31.274 6.511 18.557 1.00 31.33 C ATOM 1558 NH1 ARG B 151 31.252 6.822 19.852 1.00 30.57 N ATOM 1559 NH2 ARG B 151 31.938 7.277 17.706 1.00 24.85 N ATOM 1560 HE ARG B 151 30.127 4.844 18.816 1.00 0.00 H ATOM 1561 HH12 ARG B 151 31.755 7.666 20.193 1.00 0.00 H ATOM 1562 HH11 ARG B 151 30.732 6.221 20.522 1.00 0.00 H ATOM 1563 HH22 ARG B 151 32.440 8.121 18.049 1.00 0.00 H ATOM 1564 HH21 ARG B 151 31.957 7.035 16.695 1.00 0.00 H ATOM 1565 H ARG B 151 31.420 1.524 15.067 1.00 0.00 H ATOM 1566 N ARG B 152 32.664 -0.233 17.610 1.00 20.38 N ATOM 1567 CA ARG B 152 33.130 -1.346 18.439 1.00 22.32 C ATOM 1568 C ARG B 152 34.396 -1.962 17.864 1.00 23.16 C ATOM 1569 O ARG B 152 35.325 -2.310 18.602 1.00 22.67 O ATOM 1570 CB ARG B 152 32.027 -2.392 18.605 1.00 20.29 C ATOM 1571 CG ARG B 152 30.847 -1.865 19.375 1.00 19.12 C ATOM 1572 CD ARG B 152 29.935 -2.961 19.876 1.00 22.89 C ATOM 1573 NE ARG B 152 29.293 -3.737 18.798 1.00 21.87 N ATOM 1574 CZ ARG B 152 28.219 -3.372 18.105 1.00 24.33 C ATOM 1575 NH1 ARG B 152 27.619 -2.193 18.317 1.00 23.04 N ATOM 1576 NH2 ARG B 152 27.731 -4.186 17.176 1.00 22.77 N ATOM 1577 HE ARG B 152 29.720 -4.654 18.558 1.00 0.00 H ATOM 1578 HH12 ARG B 152 26.780 -1.929 17.762 1.00 0.00 H ATOM 1579 HH11 ARG B 152 27.992 -1.541 19.036 1.00 0.00 H ATOM 1580 HH22 ARG B 152 26.891 -3.907 16.630 1.00 0.00 H ATOM 1581 HH21 ARG B 152 28.189 -5.102 16.995 1.00 0.00 H ATOM 1582 H ARG B 152 31.746 -0.289 17.124 1.00 0.00 H ATOM 1583 N CYS B 153 34.466 -2.085 16.545 1.00 21.11 N ATOM 1584 CA CYS B 153 35.675 -2.594 15.895 1.00 21.09 C ATOM 1585 C CYS B 153 36.892 -1.746 16.235 1.00 20.73 C ATOM 1586 O CYS B 153 37.987 -2.289 16.482 1.00 22.12 O ATOM 1587 CB CYS B 153 35.473 -2.687 14.376 1.00 18.59 C ATOM 1588 SG CYS B 153 34.416 -4.025 13.857 1.00 21.38 S ATOM 1589 H CYS B 153 33.648 -1.815 15.963 1.00 0.00 H ATOM 1590 N LYS B 154 36.753 -0.421 16.191 1.00 22.65 N ATOM 1591 CA LYS B 154 37.865 0.475 16.492 1.00 22.13 C ATOM 1592 C LYS B 154 38.485 0.133 17.838 1.00 22.86 C ATOM 1593 O LYS B 154 39.708 0.119 17.980 1.00 25.12 O ATOM 1594 CB LYS B 154 37.357 1.915 16.475 1.00 27.37 C ATOM 1595 CG LYS B 154 38.449 2.962 16.734 1.00 31.21 C ATOM 1596 CD LYS B 154 37.871 4.361 16.732 1.00 35.77 C ATOM 1597 CE LYS B 154 38.952 5.406 17.087 1.00 48.99 C ATOM 1598 NZ LYS B 154 38.380 6.778 17.047 1.00 58.86 N ATOM 1599 HZ1 LYS B 154 38.019 6.974 16.091 1.00 0.00 H ATOM 1600 HZ2 LYS B 154 37.602 6.848 17.734 1.00 0.00 H ATOM 1601 HZ3 LYS B 154 39.120 7.468 17.288 1.00 0.00 H ATOM 1602 H LYS B 154 35.830 -0.016 15.936 1.00 0.00 H ATOM 1603 N GLY B 155 37.655 -0.167 18.833 1.00 28.71 N ATOM 1604 CA GLY B 155 38.158 -0.508 20.145 1.00 27.57 C ATOM 1605 C GLY B 155 38.784 -1.889 20.232 1.00 33.25 C ATOM 1606 O GLY B 155 39.401 -2.215 21.249 1.00 34.97 O ATOM 1607 H GLY B 155 36.629 -0.156 18.665 1.00 0.00 H ATOM 1608 N SER B 156 38.657 -2.688 19.179 1.00 21.91 N ATOM 1609 CA SER B 156 39.208 -4.024 19.104 1.00 20.67 C ATOM 1610 C SER B 156 40.557 -4.079 18.391 1.00 24.27 C ATOM 1611 O SER B 156 41.170 -5.135 18.347 1.00 27.38 O ATOM 1612 CB SER B 156 38.192 -4.909 18.335 1.00 27.34 C ATOM 1613 OG SER B 156 38.646 -6.217 18.204 1.00 40.49 O ATOM 1614 HG SER B 156 38.784 -6.609 19.103 1.00 0.00 H ATOM 1615 H SER B 156 38.129 -2.331 18.357 1.00 0.00 H ATOM 1616 N LEU B 157 41.038 -2.974 17.848 1.00 22.96 N ATOM 1617 CA LEU B 157 42.257 -2.999 17.067 1.00 19.83 C ATOM 1618 C LEU B 157 43.480 -2.919 17.974 1.00 26.58 C ATOM 1619 O LEU B 157 43.522 -2.143 18.943 1.00 27.96 O ATOM 1620 CB LEU B 157 42.308 -1.810 16.108 1.00 20.02 C ATOM 1621 CG LEU B 157 41.286 -1.833 14.980 1.00 22.60 C ATOM 1622 CD1 LEU B 157 41.359 -0.512 14.179 1.00 24.90 C ATOM 1623 CD2 LEU B 157 41.484 -3.001 14.054 1.00 21.54 C ATOM 1624 H LEU B 157 40.534 -2.074 17.984 1.00 0.00 H ATOM 1625 N ARG B 158 44.497 -3.698 17.607 1.00 23.91 N ATOM 1626 CA ARG B 158 45.833 -3.560 18.186 1.00 23.72 C ATOM 1627 C ARG B 158 46.515 -2.303 17.652 1.00 26.67 C ATOM 1628 O ARG B 158 46.052 -1.684 16.695 1.00 25.71 O ATOM 1629 CB ARG B 158 46.643 -4.803 17.835 1.00 26.38 C ATOM 1630 CG ARG B 158 46.194 -6.031 18.596 1.00 29.84 C ATOM 1631 CD ARG B 158 46.921 -7.280 18.143 1.00 39.54 C ATOM 1632 NE ARG B 158 48.109 -7.570 18.952 1.00 63.48 N ATOM 1633 CZ ARG B 158 49.376 -7.466 18.539 1.00 59.44 C ATOM 1634 NH1 ARG B 158 49.687 -7.067 17.299 1.00 46.71 N ATOM 1635 NH2 ARG B 158 50.348 -7.771 19.386 1.00 62.38 N ATOM 1636 HE ARG B 158 47.952 -7.884 19.931 1.00 0.00 H ATOM 1637 HH12 ARG B 158 50.684 -6.997 17.010 1.00 0.00 H ATOM 1638 HH11 ARG B 158 48.932 -6.827 16.625 1.00 0.00 H ATOM 1639 HH22 ARG B 158 51.341 -7.697 19.086 1.00 0.00 H ATOM 1640 HH21 ARG B 158 50.118 -8.084 20.351 1.00 0.00 H ATOM 1641 H ARG B 158 44.335 -4.429 16.885 1.00 0.00 H ATOM 1642 N PRO B 159 47.618 -1.882 18.267 1.00 27.20 N ATOM 1643 CA PRO B 159 48.328 -0.714 17.741 1.00 32.69 C ATOM 1644 C PRO B 159 48.663 -0.886 16.264 1.00 28.99 C ATOM 1645 O PRO B 159 49.137 -1.931 15.824 1.00 25.43 O ATOM 1646 CB PRO B 159 49.583 -0.636 18.625 1.00 32.95 C ATOM 1647 CG PRO B 159 49.183 -1.252 19.891 1.00 38.44 C ATOM 1648 CD PRO B 159 48.231 -2.386 19.514 1.00 32.21 C ATOM 1649 N ASN B 160 48.388 0.160 15.488 1.00 26.80 N ATOM 1650 CA ASN B 160 48.596 0.193 14.050 1.00 26.08 C ATOM 1651 C ASN B 160 47.597 -0.661 13.284 1.00 21.59 C ATOM 1652 O ASN B 160 47.731 -0.789 12.082 1.00 23.62 O ATOM 1653 CB ASN B 160 50.009 -0.217 13.613 1.00 26.02 C ATOM 1654 CG ASN B 160 51.075 0.644 14.240 1.00 39.17 C ATOM 1655 OD1 ASN B 160 50.816 1.783 14.594 1.00 32.75 O ATOM 1656 ND2 ASN B 160 52.266 0.091 14.402 1.00 40.24 N ATOM 1657 HD22 ASN B 160 52.434 -0.884 14.082 1.00 0.00 H ATOM 1658 HD21 ASN B 160 53.034 0.631 14.849 1.00 0.00 H ATOM 1659 H ASN B 160 47.998 1.011 15.941 1.00 0.00 H ATOM 1660 N GLY B 161 46.613 -1.239 13.961 1.00 23.35 N ATOM 1661 CA GLY B 161 45.639 -2.069 13.260 1.00 21.38 C ATOM 1662 C GLY B 161 44.736 -1.263 12.347 1.00 21.62 C ATOM 1663 O GLY B 161 44.588 -0.043 12.473 1.00 21.84 O ATOM 1664 H GLY B 161 46.536 -1.101 14.989 1.00 0.00 H ATOM 1665 N ILE B 162 44.087 -1.980 11.410 1.00 19.39 N ATOM 1666 CA ILE B 162 43.129 -1.366 10.490 1.00 18.80 C ATOM 1667 C ILE B 162 41.873 -2.211 10.358 1.00 18.78 C ATOM 1668 O ILE B 162 41.881 -3.438 10.528 1.00 20.44 O ATOM 1669 CB ILE B 162 43.708 -1.116 9.085 1.00 21.68 C ATOM 1670 CG1 ILE B 162 44.117 -2.417 8.401 1.00 19.72 C ATOM 1671 CG2 ILE B 162 44.849 -0.142 9.187 1.00 20.94 C ATOM 1672 CD1 ILE B 162 44.620 -2.280 6.994 1.00 22.96 C ATOM 1673 H ILE B 162 44.272 -3.001 11.338 1.00 0.00 H ATOM 1674 N ILE B 163 40.775 -1.537 10.037 1.00 19.13 N ATOM 1675 CA ILE B 163 39.554 -2.170 9.549 1.00 19.78 C ATOM 1676 C ILE B 163 39.495 -2.006 8.039 1.00 20.82 C ATOM 1677 O ILE B 163 39.787 -0.941 7.515 1.00 19.17 O ATOM 1678 CB ILE B 163 38.348 -1.463 10.178 1.00 17.51 C ATOM 1679 CG1 ILE B 163 38.339 -1.643 11.676 1.00 19.26 C ATOM 1680 CG2 ILE B 163 37.047 -1.945 9.582 1.00 16.66 C ATOM 1681 CD1 ILE B 163 37.616 -0.517 12.403 1.00 19.47 C ATOM 1682 H ILE B 163 40.786 -0.502 10.139 1.00 0.00 H ATOM 1683 N VAL B 164 39.113 -3.059 7.335 1.00 16.51 N ATOM 1684 CA VAL B 164 38.886 -3.001 5.887 1.00 16.44 C ATOM 1685 C VAL B 164 37.434 -3.345 5.590 1.00 17.65 C ATOM 1686 O VAL B 164 36.919 -4.362 6.066 1.00 20.44 O ATOM 1687 CB VAL B 164 39.849 -3.916 5.109 1.00 18.55 C ATOM 1688 CG1 VAL B 164 39.507 -3.881 3.619 1.00 20.78 C ATOM 1689 CG2 VAL B 164 41.285 -3.496 5.376 1.00 22.21 C ATOM 1690 H VAL B 164 38.968 -3.963 7.828 1.00 0.00 H ATOM 1691 N ILE B 165 36.759 -2.462 4.840 1.00 17.45 N ATOM 1692 CA ILE B 165 35.457 -2.731 4.275 1.00 15.98 C ATOM 1693 C ILE B 165 35.647 -2.907 2.778 1.00 17.72 C ATOM 1694 O ILE B 165 36.236 -2.052 2.128 1.00 18.78 O ATOM 1695 CB ILE B 165 34.509 -1.548 4.514 1.00 18.67 C ATOM 1696 CG1 ILE B 165 34.210 -1.399 5.997 1.00 20.40 C ATOM 1697 CG2 ILE B 165 33.209 -1.753 3.793 1.00 19.11 C ATOM 1698 CD1 ILE B 165 33.411 -0.135 6.322 1.00 23.41 C ATOM 1699 H ILE B 165 37.195 -1.536 4.656 1.00 0.00 H ATOM 1700 N LYS B 166 35.124 -4.010 2.225 1.00 15.46 N ATOM 1701 CA LYS B 166 35.115 -4.260 0.789 1.00 14.36 C ATOM 1702 C LYS B 166 33.690 -4.636 0.420 1.00 18.51 C ATOM 1703 O LYS B 166 33.133 -5.585 0.977 1.00 19.23 O ATOM 1704 CB LYS B 166 36.142 -5.336 0.403 1.00 15.90 C ATOM 1705 CG LYS B 166 36.259 -5.534 -1.082 1.00 16.82 C ATOM 1706 CD LYS B 166 37.461 -6.321 -1.510 1.00 15.87 C ATOM 1707 CE LYS B 166 37.608 -6.329 -3.020 1.00 18.78 C ATOM 1708 NZ LYS B 166 38.816 -7.106 -3.478 1.00 20.00 N ATOM 1709 HZ1 LYS B 166 39.674 -6.680 -3.074 1.00 0.00 H ATOM 1710 HZ2 LYS B 166 38.734 -8.092 -3.158 1.00 0.00 H ATOM 1711 HZ3 LYS B 166 38.870 -7.080 -4.516 1.00 0.00 H ATOM 1712 H LYS B 166 34.703 -4.724 2.853 1.00 0.00 H ATOM 1713 N ASP B 167 33.064 -3.850 -0.453 1.00 16.39 N ATOM 1714 CA ASP B 167 31.652 -4.109 -0.707 1.00 18.34 C ATOM 1715 C ASP B 167 31.196 -3.505 -2.019 1.00 19.26 C ATOM 1716 O ASP B 167 31.904 -2.721 -2.642 1.00 19.63 O ATOM 1717 CB ASP B 167 30.766 -3.606 0.425 1.00 20.13 C ATOM 1718 CG ASP B 167 29.690 -4.602 0.824 1.00 23.00 C ATOM 1719 OD1 ASP B 167 28.838 -4.965 -0.020 1.00 21.78 O ATOM 1720 OD2 ASP B 167 29.715 -5.009 2.018 1.00 24.31 O ATOM 1721 H ASP B 167 33.565 -3.078 -0.937 1.00 0.00 H ATOM 1722 N ASN B 168 29.974 -3.877 -2.397 1.00 19.44 N ATOM 1723 CA ASN B 168 29.305 -3.305 -3.550 1.00 20.05 C ATOM 1724 C ASN B 168 28.893 -1.867 -3.248 1.00 19.04 C ATOM 1725 O ASN B 168 28.381 -1.576 -2.165 1.00 21.66 O ATOM 1726 CB ASN B 168 28.024 -4.091 -3.835 1.00 20.07 C ATOM 1727 CG ASN B 168 28.276 -5.571 -4.055 1.00 19.73 C ATOM 1728 OD1 ASN B 168 29.271 -5.940 -4.665 1.00 20.25 O ATOM 1729 ND2 ASN B 168 27.371 -6.425 -3.545 1.00 21.82 N ATOM 1730 HD22 ASN B 168 26.542 -6.060 -3.034 1.00 0.00 H ATOM 1731 HD21 ASN B 168 27.500 -7.450 -3.661 1.00 0.00 H ATOM 1732 H ASN B 168 29.480 -4.606 -1.844 1.00 0.00 H ATOM 1733 N MET B 169 29.000 -1.008 -4.264 1.00 20.02 N ATOM 1734 CA MET B 169 28.581 0.385 -4.205 1.00 18.70 C ATOM 1735 C MET B 169 27.532 0.625 -5.281 1.00 22.24 C ATOM 1736 O MET B 169 27.704 0.227 -6.445 1.00 26.83 O ATOM 1737 CB MET B 169 29.806 1.270 -4.392 1.00 21.56 C ATOM 1738 CG MET B 169 30.891 1.040 -3.364 1.00 25.32 C ATOM 1739 SD MET B 169 30.432 1.556 -1.694 1.00 26.37 S ATOM 1740 CE MET B 169 31.045 0.176 -0.755 1.00 31.01 C ATOM 1741 H MET B 169 29.409 -1.356 -5.155 1.00 0.00 H ATOM 1742 N ALA B 170 26.442 1.241 -4.872 1.00 21.16 N ATOM 1743 CA ALA B 170 25.362 1.585 -5.792 1.00 22.51 C ATOM 1744 C ALA B 170 25.781 2.763 -6.664 1.00 28.31 C ATOM 1745 O ALA B 170 26.593 3.592 -6.268 1.00 29.53 O ATOM 1746 CB ALA B 170 24.132 1.967 -4.990 1.00 23.22 C ATOM 1747 H ALA B 170 26.348 1.489 -3.866 1.00 0.00 H ATOM 1748 N GLN B 171 25.217 2.820 -7.873 1.00 31.51 N ATOM 1749 CA GLN B 171 25.475 3.966 -8.757 1.00 31.75 C ATOM 1750 C GLN B 171 25.001 5.278 -8.136 1.00 41.41 C ATOM 1751 O GLN B 171 25.645 6.319 -8.332 1.00 45.06 O ATOM 1752 CB GLN B 171 24.887 3.675 -10.154 1.00 33.40 C ATOM 1753 CG GLN B 171 23.369 3.445 -10.192 1.00 37.32 C ATOM 1754 CD GLN B 171 22.930 1.988 -9.969 1.00 52.35 C ATOM 1755 OE1 GLN B 171 23.683 1.165 -9.459 1.00 39.45 O ATOM 1756 NE2 GLN B 171 21.684 1.680 -10.345 1.00 40.97 N ATOM 1757 HE22 GLN B 171 21.076 2.406 -10.774 1.00 0.00 H ATOM 1758 HE21 GLN B 171 21.323 0.714 -10.208 1.00 0.00 H ATOM 1759 H GLN B 171 24.593 2.051 -8.190 1.00 0.00 H ATOM 1760 N GLU B 172 23.929 5.252 -7.340 1.00 33.11 N ATOM 1761 CA GLU B 172 23.409 6.432 -6.663 1.00 37.78 C ATOM 1762 C GLU B 172 22.422 6.011 -5.581 1.00 33.89 C ATOM 1763 O GLU B 172 21.638 5.086 -5.784 1.00 42.18 O ATOM 1764 CB GLU B 172 22.685 7.361 -7.659 1.00 38.81 C ATOM 1765 CG GLU B 172 21.971 8.552 -7.012 1.00 38.14 C ATOM 1766 CD GLU B 172 21.288 9.468 -8.033 1.00 65.50 C ATOM 1767 OE1 GLU B 172 21.176 9.081 -9.220 1.00 58.86 O ATOM 1768 OE2 GLU B 172 20.861 10.576 -7.639 1.00 72.32 O ATOM 1769 H GLU B 172 23.442 4.345 -7.197 1.00 0.00 H ATOM 1770 N GLY B 173 22.437 6.723 -4.457 1.00 28.23 N ATOM 1771 CA GLY B 173 21.477 6.500 -3.404 1.00 33.70 C ATOM 1772 C GLY B 173 21.683 5.148 -2.742 1.00 40.40 C ATOM 1773 O GLY B 173 22.806 4.630 -2.652 1.00 29.01 O ATOM 1774 H GLY B 173 23.160 7.460 -4.335 1.00 0.00 H ATOM 1775 N VAL B 174 20.572 4.573 -2.288 1.00 31.69 N ATOM 1776 CA VAL B 174 20.557 3.297 -1.572 1.00 23.31 C ATOM 1777 C VAL B 174 19.519 2.390 -2.224 1.00 28.85 C ATOM 1778 O VAL B 174 18.372 2.800 -2.432 1.00 33.09 O ATOM 1779 CB VAL B 174 20.283 3.482 -0.075 1.00 28.83 C ATOM 1780 CG1 VAL B 174 20.413 2.140 0.629 1.00 28.20 C ATOM 1781 CG2 VAL B 174 21.263 4.481 0.541 1.00 33.97 C ATOM 1782 H VAL B 174 19.666 5.057 -2.451 1.00 0.00 H ATOM 1783 N ILE B 175 19.921 1.163 -2.544 1.00 27.41 N ATOM 1784 CA ILE B 175 19.118 0.230 -3.334 1.00 23.12 C ATOM 1785 C ILE B 175 18.910 -1.040 -2.496 1.00 31.33 C ATOM 1786 O ILE B 175 19.888 -1.676 -2.076 1.00 27.90 O ATOM 1787 CB ILE B 175 19.793 -0.105 -4.670 1.00 29.32 C ATOM 1788 CG1 ILE B 175 20.041 1.178 -5.488 1.00 28.89 C ATOM 1789 CG2 ILE B 175 18.947 -1.117 -5.474 1.00 31.33 C ATOM 1790 CD1 ILE B 175 20.968 1.005 -6.661 1.00 44.96 C ATOM 1791 H ILE B 175 20.857 0.850 -2.215 1.00 0.00 H ATOM 1792 N LEU B 176 17.643 -1.414 -2.274 1.00 26.97 N ATOM 1793 CA LEU B 176 17.308 -2.612 -1.498 1.00 26.42 C ATOM 1794 C LEU B 176 17.209 -3.813 -2.433 1.00 27.46 C ATOM 1795 O LEU B 176 16.540 -3.741 -3.468 1.00 25.64 O ATOM 1796 CB LEU B 176 15.960 -2.418 -0.805 1.00 26.55 C ATOM 1797 CG LEU B 176 15.421 -3.620 -0.002 1.00 29.26 C ATOM 1798 CD1 LEU B 176 16.302 -3.950 1.153 1.00 30.72 C ATOM 1799 CD2 LEU B 176 14.017 -3.360 0.494 1.00 34.75 C ATOM 1800 H LEU B 176 16.872 -0.836 -2.665 1.00 0.00 H ATOM 1801 N ASP B 177 17.872 -4.920 -2.068 1.00 23.10 N ATOM 1802 CA ASP B 177 17.708 -6.212 -2.753 1.00 24.03 C ATOM 1803 C ASP B 177 16.733 -7.039 -1.915 1.00 27.36 C ATOM 1804 O ASP B 177 17.069 -7.492 -0.816 1.00 26.06 O ATOM 1805 CB ASP B 177 19.054 -6.916 -2.889 1.00 22.80 C ATOM 1806 CG ASP B 177 18.958 -8.198 -3.679 1.00 27.12 C ATOM 1807 OD1 ASP B 177 17.858 -8.749 -3.761 1.00 37.23 O ATOM 1808 OD2 ASP B 177 19.981 -8.657 -4.217 1.00 28.91 O ATOM 1809 H ASP B 177 18.531 -4.863 -1.266 1.00 0.00 H ATOM 1810 N ASP B 178 15.503 -7.235 -2.422 1.00 26.01 N ATOM 1811 CA ASP B 178 14.510 -7.909 -1.587 1.00 29.72 C ATOM 1812 C ASP B 178 14.624 -9.431 -1.642 1.00 37.23 C ATOM 1813 O ASP B 178 13.867 -10.122 -0.961 1.00 44.54 O ATOM 1814 CB ASP B 178 13.084 -7.447 -1.904 1.00 45.34 C ATOM 1815 CG ASP B 178 12.803 -7.411 -3.373 1.00 66.23 C ATOM 1816 OD1 ASP B 178 13.093 -8.423 -4.046 1.00 69.81 O ATOM 1817 OD2 ASP B 178 12.287 -6.373 -3.852 1.00 74.36 O ATOM 1818 H ASP B 178 15.264 -6.916 -3.383 1.00 0.00 H ATOM 1819 N VAL B 179 15.564 -9.964 -2.402 1.00 32.05 N ATOM 1820 CA VAL B 179 15.799 -11.404 -2.375 1.00 38.76 C ATOM 1821 C VAL B 179 16.618 -11.796 -1.151 1.00 31.72 C ATOM 1822 O VAL B 179 16.192 -12.614 -0.329 1.00 32.50 O ATOM 1823 CB VAL B 179 16.467 -11.856 -3.677 1.00 34.68 C ATOM 1824 CG1 VAL B 179 16.518 -13.374 -3.702 1.00 43.07 C ATOM 1825 CG2 VAL B 179 15.691 -11.298 -4.871 1.00 55.23 C ATOM 1826 H VAL B 179 16.138 -9.356 -3.021 1.00 0.00 H ATOM 1827 N ASP B 180 17.789 -11.200 -0.982 1.00 22.70 N ATOM 1828 CA ASP B 180 18.594 -11.528 0.182 1.00 23.35 C ATOM 1829 C ASP B 180 18.413 -10.567 1.357 1.00 21.11 C ATOM 1830 O ASP B 180 18.992 -10.800 2.421 1.00 22.09 O ATOM 1831 CB ASP B 180 20.074 -11.729 -0.185 1.00 23.15 C ATOM 1832 CG ASP B 180 20.776 -10.459 -0.675 1.00 26.10 C ATOM 1833 OD1 ASP B 180 20.189 -9.354 -0.618 1.00 25.61 O ATOM 1834 OD2 ASP B 180 21.931 -10.596 -1.160 1.00 22.81 O ATOM 1835 H ASP B 180 18.129 -10.504 -1.676 1.00 0.00 H ATOM 1836 N SER B 181 17.592 -9.526 1.199 1.00 21.62 N ATOM 1837 CA SER B 181 17.350 -8.532 2.264 1.00 21.62 C ATOM 1838 C SER B 181 18.648 -7.834 2.675 1.00 18.91 C ATOM 1839 O SER B 181 19.109 -7.923 3.824 1.00 20.44 O ATOM 1840 CB SER B 181 16.641 -9.147 3.469 1.00 21.90 C ATOM 1841 OG SER B 181 16.040 -8.154 4.287 1.00 22.62 O ATOM 1842 HG SER B 181 15.374 -7.650 3.756 1.00 0.00 H ATOM 1843 H SER B 181 17.103 -9.410 0.289 1.00 0.00 H ATOM 1844 N SER B 182 19.211 -7.104 1.708 1.00 22.00 N ATOM 1845 CA SER B 182 20.400 -6.283 1.923 1.00 19.82 C ATOM 1846 C SER B 182 20.275 -5.012 1.097 1.00 22.68 C ATOM 1847 O SER B 182 19.491 -4.954 0.150 1.00 24.11 O ATOM 1848 CB SER B 182 21.683 -7.005 1.495 1.00 21.54 C ATOM 1849 OG SER B 182 21.679 -7.253 0.091 1.00 26.06 O ATOM 1850 HG SER B 182 20.901 -7.819 -0.141 1.00 0.00 H ATOM 1851 H SER B 182 18.784 -7.121 0.760 1.00 0.00 H ATOM 1852 N VAL B 183 21.082 -4.003 1.437 1.00 23.83 N ATOM 1853 CA VAL B 183 21.101 -2.756 0.684 1.00 22.86 C ATOM 1854 C VAL B 183 22.473 -2.575 0.058 1.00 24.82 C ATOM 1855 O VAL B 183 23.470 -3.112 0.534 1.00 23.78 O ATOM 1856 CB VAL B 183 20.742 -1.517 1.523 1.00 20.06 C ATOM 1857 CG1 VAL B 183 19.311 -1.565 2.018 1.00 24.55 C ATOM 1858 CG2 VAL B 183 21.676 -1.365 2.708 1.00 23.19 C ATOM 1859 H VAL B 183 21.711 -4.110 2.258 1.00 0.00 H ATOM 1860 N CYS B 184 22.492 -1.873 -1.067 1.00 23.12 N ATOM 1861 CA CYS B 184 23.687 -1.384 -1.715 1.00 21.86 C ATOM 1862 C CYS B 184 23.631 0.137 -1.574 1.00 26.23 C ATOM 1863 O CYS B 184 22.583 0.727 -1.834 1.00 28.43 O ATOM 1864 CB CYS B 184 23.569 -1.767 -3.198 1.00 34.47 C ATOM 1865 SG CYS B 184 25.012 -1.584 -4.062 1.00 36.13 S ATOM 1866 H CYS B 184 21.579 -1.659 -1.516 1.00 0.00 H ATOM 1867 N ARG B 185 24.722 0.759 -1.129 1.00 23.01 N ATOM 1868 CA ARG B 185 24.767 2.201 -0.907 1.00 24.02 C ATOM 1869 C ARG B 185 25.809 2.852 -1.810 1.00 23.85 C ATOM 1870 O ARG B 185 26.852 2.261 -2.090 1.00 23.83 O ATOM 1871 CB ARG B 185 25.187 2.505 0.526 1.00 23.12 C ATOM 1872 CG ARG B 185 24.278 1.930 1.613 1.00 20.56 C ATOM 1873 CD ARG B 185 24.956 2.056 2.969 1.00 24.26 C ATOM 1874 NE ARG B 185 24.131 1.690 4.130 1.00 23.80 N ATOM 1875 CZ ARG B 185 24.190 0.529 4.784 1.00 23.38 C ATOM 1876 NH1 ARG B 185 24.968 -0.473 4.354 1.00 23.52 N ATOM 1877 NH2 ARG B 185 23.443 0.367 5.853 1.00 24.25 N ATOM 1878 HE ARG B 185 23.445 2.394 4.469 1.00 0.00 H ATOM 1879 HH12 ARG B 185 24.999 -1.370 4.880 1.00 0.00 H ATOM 1880 HH11 ARG B 185 25.541 -0.354 3.495 1.00 0.00 H ATOM 1881 HH22 ARG B 185 23.474 -0.530 6.378 1.00 0.00 H ATOM 1882 HH21 ARG B 185 22.821 1.136 6.174 1.00 0.00 H ATOM 1883 H ARG B 185 25.574 0.196 -0.932 1.00 0.00 H ATOM 1884 N ASP B 186 25.578 4.108 -2.204 1.00 25.15 N ATOM 1885 CA ASP B 186 26.586 4.761 -3.041 1.00 27.43 C ATOM 1886 C ASP B 186 27.801 5.212 -2.219 1.00 23.75 C ATOM 1887 O ASP B 186 27.797 5.234 -0.982 1.00 23.83 O ATOM 1888 CB ASP B 186 25.969 5.856 -3.939 1.00 27.33 C ATOM 1889 CG ASP B 186 25.772 7.190 -3.264 1.00 38.34 C ATOM 1890 OD1 ASP B 186 26.468 7.521 -2.274 1.00 32.91 O ATOM 1891 OD2 ASP B 186 24.903 7.959 -3.769 1.00 37.23 O ATOM 1892 H ASP B 186 24.709 4.606 -1.925 1.00 0.00 H ATOM 1893 N LEU B 187 28.877 5.504 -2.946 1.00 26.17 N ATOM 1894 CA LEU B 187 30.156 5.846 -2.326 1.00 32.04 C ATOM 1895 C LEU B 187 30.030 6.976 -1.323 1.00 29.74 C ATOM 1896 O LEU B 187 30.605 6.930 -0.225 1.00 31.44 O ATOM 1897 CB LEU B 187 31.125 6.289 -3.421 1.00 35.78 C ATOM 1898 CG LEU B 187 32.195 5.317 -3.860 1.00 46.41 C ATOM 1899 CD1 LEU B 187 33.090 6.038 -4.894 1.00 39.44 C ATOM 1900 CD2 LEU B 187 33.004 4.865 -2.692 1.00 34.82 C ATOM 1901 H LEU B 187 28.806 5.488 -3.983 1.00 0.00 H ATOM 1902 N ASP B 188 29.369 8.058 -1.715 1.00 28.32 N ATOM 1903 CA ASP B 188 29.245 9.197 -0.822 1.00 29.87 C ATOM 1904 C ASP B 188 28.502 8.822 0.454 1.00 26.24 C ATOM 1905 O ASP B 188 28.845 9.294 1.545 1.00 27.35 O ATOM 1906 CB ASP B 188 28.553 10.343 -1.558 1.00 32.95 C ATOM 1907 CG ASP B 188 29.423 10.925 -2.698 1.00 48.11 C ATOM 1908 OD1 ASP B 188 30.616 11.239 -2.469 1.00 40.90 O ATOM 1909 OD2 ASP B 188 28.916 11.048 -3.827 1.00 38.54 O ATOM 1910 H ASP B 188 28.940 8.090 -2.662 1.00 0.00 H ATOM 1911 N VAL B 189 27.474 7.978 0.342 1.00 23.90 N ATOM 1912 CA VAL B 189 26.737 7.547 1.527 1.00 22.97 C ATOM 1913 C VAL B 189 27.645 6.756 2.465 1.00 24.63 C ATOM 1914 O VAL B 189 27.652 6.957 3.683 1.00 23.78 O ATOM 1915 CB VAL B 189 25.493 6.742 1.120 1.00 22.78 C ATOM 1916 CG1 VAL B 189 24.849 6.084 2.340 1.00 25.03 C ATOM 1917 CG2 VAL B 189 24.488 7.634 0.414 1.00 29.02 C ATOM 1918 H VAL B 189 27.196 7.625 -0.596 1.00 0.00 H ATOM 1919 N VAL B 190 28.410 5.813 1.901 1.00 25.00 N ATOM 1920 CA VAL B 190 29.281 4.981 2.735 1.00 25.86 C ATOM 1921 C VAL B 190 30.358 5.821 3.394 1.00 22.47 C ATOM 1922 O VAL B 190 30.629 5.668 4.583 1.00 23.66 O ATOM 1923 CB VAL B 190 29.881 3.851 1.878 1.00 25.24 C ATOM 1924 CG1 VAL B 190 30.936 3.071 2.661 1.00 25.13 C ATOM 1925 CG2 VAL B 190 28.790 2.954 1.391 1.00 24.98 C ATOM 1926 H VAL B 190 28.386 5.671 0.871 1.00 0.00 H ATOM 1927 N ARG B 191 30.994 6.731 2.640 1.00 23.50 N ATOM 1928 CA ARG B 191 32.032 7.552 3.240 1.00 26.79 C ATOM 1929 C ARG B 191 31.468 8.367 4.383 1.00 23.68 C ATOM 1930 O ARG B 191 32.120 8.542 5.411 1.00 24.68 O ATOM 1931 CB ARG B 191 32.647 8.536 2.248 1.00 28.94 C ATOM 1932 CG ARG B 191 33.563 7.972 1.250 1.00 29.86 C ATOM 1933 CD ARG B 191 34.421 9.110 0.590 1.00 24.99 C ATOM 1934 NE ARG B 191 34.769 8.691 -0.742 1.00 30.77 N ATOM 1935 CZ ARG B 191 34.123 9.016 -1.853 1.00 28.33 C ATOM 1936 NH1 ARG B 191 34.559 8.554 -2.996 1.00 30.79 N ATOM 1937 NH2 ARG B 191 33.095 9.848 -1.820 1.00 39.76 N ATOM 1938 HE ARG B 191 35.603 8.078 -0.842 1.00 0.00 H ATOM 1939 HH12 ARG B 191 34.065 8.798 -3.878 1.00 0.00 H ATOM 1940 HH11 ARG B 191 35.400 7.942 -3.023 1.00 0.00 H ATOM 1941 HH22 ARG B 191 32.597 10.094 -2.699 1.00 0.00 H ATOM 1942 HH21 ARG B 191 32.785 10.256 -0.915 1.00 0.00 H ATOM 1943 H ARG B 191 30.746 6.847 1.637 1.00 0.00 H ATOM 1944 N ARG B 192 30.258 8.892 4.210 1.00 25.58 N ATOM 1945 CA ARG B 192 29.632 9.687 5.257 1.00 27.64 C ATOM 1946 C ARG B 192 29.342 8.847 6.496 1.00 24.90 C ATOM 1947 O ARG B 192 29.545 9.319 7.619 1.00 25.69 O ATOM 1948 CB ARG B 192 28.354 10.333 4.717 1.00 29.18 C ATOM 1949 CG ARG B 192 27.611 11.237 5.702 1.00 39.72 C ATOM 1950 CD ARG B 192 28.048 12.679 5.560 1.00 37.95 C ATOM 1951 NE ARG B 192 29.194 12.965 6.409 1.00 47.69 N ATOM 1952 CZ ARG B 192 30.107 13.890 6.147 1.00 46.89 C ATOM 1953 NH1 ARG B 192 31.110 14.059 6.990 1.00 45.82 N ATOM 1954 NH2 ARG B 192 30.028 14.630 5.043 1.00 61.73 N ATOM 1955 HE ARG B 192 29.305 12.407 7.279 1.00 0.00 H ATOM 1956 HH12 ARG B 192 31.834 14.780 6.799 1.00 0.00 H ATOM 1957 HH11 ARG B 192 31.175 13.471 7.845 1.00 0.00 H ATOM 1958 HH22 ARG B 192 30.750 15.353 4.848 1.00 0.00 H ATOM 1959 HH21 ARG B 192 29.244 14.486 4.375 1.00 0.00 H ATOM 1960 H ARG B 192 29.753 8.733 3.315 1.00 0.00 H ATOM 1961 N ILE B 193 28.880 7.593 6.330 1.00 22.30 N ATOM 1962 CA ILE B 193 28.639 6.749 7.497 1.00 25.47 C ATOM 1963 C ILE B 193 29.934 6.528 8.278 1.00 22.39 C ATOM 1964 O ILE B 193 29.972 6.633 9.508 1.00 22.65 O ATOM 1965 CB ILE B 193 27.996 5.417 7.077 1.00 23.35 C ATOM 1966 CG1 ILE B 193 26.566 5.661 6.614 1.00 25.91 C ATOM 1967 CG2 ILE B 193 28.045 4.426 8.231 1.00 24.04 C ATOM 1968 CD1 ILE B 193 25.918 4.422 5.998 1.00 25.53 C ATOM 1969 H ILE B 193 28.696 7.227 5.374 1.00 0.00 H ATOM 1970 N ILE B 194 31.005 6.173 7.571 1.00 22.84 N ATOM 1971 CA ILE B 194 32.293 5.928 8.205 1.00 22.93 C ATOM 1972 C ILE B 194 32.780 7.172 8.938 1.00 22.96 C ATOM 1973 O ILE B 194 33.152 7.124 10.125 1.00 23.18 O ATOM 1974 CB ILE B 194 33.305 5.483 7.136 1.00 19.18 C ATOM 1975 CG1 ILE B 194 32.881 4.140 6.522 1.00 20.97 C ATOM 1976 CG2 ILE B 194 34.676 5.437 7.716 1.00 22.41 C ATOM 1977 CD1 ILE B 194 33.680 3.765 5.280 1.00 23.39 C ATOM 1978 H ILE B 194 30.920 6.068 6.540 1.00 0.00 H ATOM 1979 N CYS B 195 32.816 8.296 8.231 1.00 22.72 N ATOM 1980 CA CYS B 195 33.456 9.472 8.781 1.00 24.27 C ATOM 1981 C CYS B 195 32.600 10.056 9.892 1.00 22.54 C ATOM 1982 O CYS B 195 33.122 10.451 10.937 1.00 23.25 O ATOM 1983 CB CYS B 195 33.718 10.497 7.671 1.00 28.52 C ATOM 1984 SG CYS B 195 34.959 9.887 6.415 1.00 37.28 S ATOM 1985 H CYS B 195 32.386 8.331 7.285 1.00 0.00 H ATOM 1986 N SER B 196 31.280 10.008 9.722 1.00 21.94 N ATOM 1987 CA SER B 196 30.384 10.526 10.763 1.00 25.95 C ATOM 1988 C SER B 196 30.342 9.613 11.982 1.00 26.18 C ATOM 1989 O SER B 196 29.938 10.053 13.065 1.00 26.56 O ATOM 1990 CB SER B 196 28.975 10.768 10.214 1.00 27.38 C ATOM 1991 OG SER B 196 28.290 9.542 9.968 1.00 26.33 O ATOM 1992 HG SER B 196 28.797 9.009 9.305 1.00 0.00 H ATOM 1993 H SER B 196 30.883 9.603 8.850 1.00 0.00 H ATOM 1994 N ALA B 197 30.753 8.354 11.845 1.00 23.60 N ATOM 1995 CA ALA B 197 30.916 7.489 13.001 1.00 22.66 C ATOM 1996 C ALA B 197 32.190 7.764 13.783 1.00 23.57 C ATOM 1997 O ALA B 197 32.377 7.185 14.850 1.00 23.88 O ATOM 1998 CB ALA B 197 30.919 6.021 12.573 1.00 22.21 C ATOM 1999 H ALA B 197 30.961 7.984 10.896 1.00 0.00 H ATOM 2000 N GLY B 198 33.079 8.613 13.281 1.00 24.76 N ATOM 2001 CA GLY B 198 34.313 8.888 13.970 1.00 21.97 C ATOM 2002 C GLY B 198 35.459 7.975 13.592 1.00 24.81 C ATOM 2003 O GLY B 198 36.444 7.911 14.333 1.00 25.73 O ATOM 2004 H GLY B 198 32.881 9.086 12.376 1.00 0.00 H ATOM 2005 N LEU B 199 35.351 7.270 12.463 1.00 21.93 N ATOM 2006 CA LEU B 199 36.459 6.480 11.936 1.00 22.14 C ATOM 2007 C LEU B 199 37.237 7.335 10.930 1.00 24.95 C ATOM 2008 O LEU B 199 36.663 8.193 10.250 1.00 23.50 O ATOM 2009 CB LEU B 199 35.950 5.204 11.257 1.00 21.59 C ATOM 2010 CG LEU B 199 35.543 3.975 12.101 1.00 27.73 C ATOM 2011 CD1 LEU B 199 36.727 3.332 12.727 1.00 30.62 C ATOM 2012 CD2 LEU B 199 34.519 4.354 13.154 1.00 23.39 C ATOM 2013 H LEU B 199 34.450 7.284 11.944 1.00 0.00 H ATOM 2014 N SER B 200 38.551 7.116 10.879 1.00 23.05 N ATOM 2015 CA SER B 200 39.435 7.835 9.955 1.00 24.60 C ATOM 2016 C SER B 200 39.621 6.968 8.709 1.00 22.46 C ATOM 2017 O SER B 200 40.070 5.821 8.820 1.00 25.37 O ATOM 2018 CB SER B 200 40.800 8.112 10.582 1.00 31.09 C ATOM 2019 OG SER B 200 40.662 8.973 11.710 1.00 37.51 O ATOM 2020 HG SER B 200 41.554 9.143 12.105 1.00 0.00 H ATOM 2021 H SER B 200 38.965 6.408 11.519 1.00 0.00 H ATOM 2022 N LEU B 201 39.317 7.511 7.547 1.00 22.67 N ATOM 2023 CA LEU B 201 39.484 6.814 6.284 1.00 20.26 C ATOM 2024 C LEU B 201 40.922 7.000 5.827 1.00 23.25 C ATOM 2025 O LEU B 201 41.385 8.149 5.641 1.00 28.28 O ATOM 2026 CB LEU B 201 38.476 7.359 5.292 1.00 29.55 C ATOM 2027 CG LEU B 201 38.086 6.594 4.066 1.00 40.18 C ATOM 2028 CD1 LEU B 201 37.627 5.206 4.408 1.00 35.06 C ATOM 2029 CD2 LEU B 201 36.979 7.395 3.365 1.00 31.42 C ATOM 2030 H LEU B 201 38.941 8.481 7.534 1.00 0.00 H ATOM 2031 N LEU B 202 41.639 5.889 5.695 1.00 20.73 N ATOM 2032 CA LEU B 202 43.052 5.862 5.338 1.00 18.82 C ATOM 2033 C LEU B 202 43.280 5.650 3.841 1.00 22.71 C ATOM 2034 O LEU B 202 44.248 6.183 3.274 1.00 22.26 O ATOM 2035 CB LEU B 202 43.760 4.714 6.067 1.00 20.67 C ATOM 2036 CG LEU B 202 43.629 4.609 7.587 1.00 24.46 C ATOM 2037 CD1 LEU B 202 44.261 3.369 8.140 1.00 29.12 C ATOM 2038 CD2 LEU B 202 44.239 5.874 8.218 1.00 31.61 C ATOM 2039 H LEU B 202 41.161 4.980 5.857 1.00 0.00 H ATOM 2040 N ALA B 203 42.440 4.832 3.199 1.00 20.97 N ATOM 2041 CA ALA B 203 42.656 4.440 1.812 1.00 19.06 C ATOM 2042 C ALA B 203 41.320 4.062 1.207 1.00 22.63 C ATOM 2043 O ALA B 203 40.430 3.587 1.908 1.00 21.24 O ATOM 2044 CB ALA B 203 43.619 3.258 1.696 1.00 20.03 C ATOM 2045 H ALA B 203 41.608 4.465 3.704 1.00 0.00 H ATOM 2046 N GLU B 204 41.213 4.255 -0.109 1.00 19.82 N ATOM 2047 CA GLU B 204 40.000 3.908 -0.853 1.00 17.29 C ATOM 2048 C GLU B 204 40.408 3.481 -2.255 1.00 25.07 C ATOM 2049 O GLU B 204 41.187 4.182 -2.904 1.00 21.18 O ATOM 2050 CB GLU B 204 39.107 5.157 -0.911 1.00 21.03 C ATOM 2051 CG GLU B 204 37.882 4.997 -1.747 1.00 24.26 C ATOM 2052 CD GLU B 204 37.008 6.259 -1.754 1.00 26.77 C ATOM 2053 OE1 GLU B 204 36.747 6.798 -0.651 1.00 29.86 O ATOM 2054 OE2 GLU B 204 36.598 6.701 -2.869 1.00 32.43 O ATOM 2055 H GLU B 204 42.018 4.666 -0.624 1.00 0.00 H ATOM 2056 N GLU B 205 39.905 2.332 -2.717 1.00 19.84 N ATOM 2057 CA GLU B 205 40.313 1.810 -4.013 1.00 19.41 C ATOM 2058 C GLU B 205 39.170 1.040 -4.651 1.00 24.22 C ATOM 2059 O GLU B 205 38.603 0.124 -4.041 1.00 20.69 O ATOM 2060 CB GLU B 205 41.504 0.885 -3.794 1.00 25.14 C ATOM 2061 CG GLU B 205 42.012 0.171 -5.011 1.00 26.37 C ATOM 2062 CD GLU B 205 43.299 -0.546 -4.720 1.00 32.53 C ATOM 2063 OE1 GLU B 205 44.346 0.133 -4.638 1.00 34.59 O ATOM 2064 OE2 GLU B 205 43.253 -1.775 -4.535 1.00 32.65 O ATOM 2065 H GLU B 205 39.215 1.805 -2.144 1.00 0.00 H ATOM 2066 N ARG B 206 38.880 1.386 -5.905 1.00 21.66 N ATOM 2067 CA ARG B 206 37.918 0.645 -6.710 1.00 19.39 C ATOM 2068 C ARG B 206 38.565 -0.618 -7.262 1.00 23.87 C ATOM 2069 O ARG B 206 39.703 -0.608 -7.735 1.00 24.39 O ATOM 2070 CB ARG B 206 37.440 1.511 -7.895 1.00 22.50 C ATOM 2071 CG ARG B 206 36.432 0.795 -8.783 1.00 25.35 C ATOM 2072 CD ARG B 206 36.328 1.518 -10.156 1.00 30.87 C ATOM 2073 NE ARG B 206 35.503 2.676 -10.056 1.00 37.84 N ATOM 2074 CZ ARG B 206 35.268 3.528 -11.050 1.00 35.64 C ATOM 2075 NH1 ARG B 206 34.480 4.565 -10.830 1.00 40.74 N ATOM 2076 NH2 ARG B 206 35.819 3.356 -12.239 1.00 40.75 N ATOM 2077 HE ARG B 206 35.052 2.869 -9.139 1.00 0.00 H ATOM 2078 HH12 ARG B 206 34.285 5.242 -11.595 1.00 0.00 H ATOM 2079 HH11 ARG B 206 34.055 4.705 -9.891 1.00 0.00 H ATOM 2080 HH22 ARG B 206 35.624 4.032 -13.005 1.00 0.00 H ATOM 2081 HH21 ARG B 206 36.447 2.545 -12.409 1.00 0.00 H ATOM 2082 H ARG B 206 39.356 2.211 -6.322 1.00 0.00 H ATOM 2083 N GLN B 207 37.824 -1.726 -7.186 1.00 21.08 N ATOM 2084 CA GLN B 207 38.276 -2.988 -7.751 1.00 22.44 C ATOM 2085 C GLN B 207 38.179 -2.948 -9.263 1.00 22.50 C ATOM 2086 O GLN B 207 37.109 -2.691 -9.815 1.00 23.46 O ATOM 2087 CB GLN B 207 37.352 -4.086 -7.243 1.00 25.08 C ATOM 2088 CG GLN B 207 37.468 -5.437 -7.918 1.00 24.40 C ATOM 2089 CD GLN B 207 38.596 -6.216 -7.382 1.00 26.45 C ATOM 2090 OE1 GLN B 207 38.669 -6.480 -6.192 1.00 27.89 O ATOM 2091 NE2 GLN B 207 39.497 -6.600 -8.248 1.00 31.35 N ATOM 2092 HE22 GLN B 207 39.392 -6.351 -9.252 1.00 0.00 H ATOM 2093 HE21 GLN B 207 40.318 -7.154 -7.933 1.00 0.00 H ATOM 2094 H GLN B 207 36.900 -1.686 -6.711 1.00 0.00 H ATOM 2095 N GLU B 208 39.280 -3.267 -9.935 1.00 23.77 N ATOM 2096 CA GLU B 208 39.287 -3.272 -11.378 1.00 21.13 C ATOM 2097 C GLU B 208 39.006 -4.685 -11.892 1.00 22.22 C ATOM 2098 O GLU B 208 39.033 -5.665 -11.148 1.00 24.95 O ATOM 2099 CB GLU B 208 40.646 -2.803 -11.904 1.00 25.81 C ATOM 2100 CG GLU B 208 41.021 -1.379 -11.477 1.00 33.85 C ATOM 2101 CD GLU B 208 39.978 -0.346 -11.876 1.00 45.72 C ATOM 2102 OE1 GLU B 208 39.144 -0.658 -12.749 1.00 59.39 O ATOM 2103 OE2 GLU B 208 39.982 0.779 -11.318 1.00 63.13 O ATOM 2104 H GLU B 208 40.146 -3.516 -9.415 1.00 0.00 H ATOM 2105 N ASN B 209 38.721 -4.753 -13.181 1.00 21.95 N ATOM 2106 CA ASN B 209 38.640 -5.990 -13.943 1.00 24.02 C ATOM 2107 C ASN B 209 37.440 -6.849 -13.598 1.00 27.62 C ATOM 2108 O ASN B 209 37.433 -8.049 -13.907 1.00 26.25 O ATOM 2109 CB ASN B 209 39.919 -6.814 -13.819 1.00 27.89 C ATOM 2110 CG ASN B 209 41.105 -6.090 -14.345 1.00 28.79 C ATOM 2111 OD1 ASN B 209 41.072 -5.531 -15.451 1.00 35.41 O ATOM 2112 ND2 ASN B 209 42.144 -6.024 -13.538 1.00 28.56 N ATOM 2113 HD22 ASN B 209 42.121 -6.512 -12.620 1.00 0.00 H ATOM 2114 HD21 ASN B 209 42.987 -5.484 -13.819 1.00 0.00 H ATOM 2115 H ASN B 209 38.542 -3.861 -13.685 1.00 0.00 H ATOM 2116 N LEU B 210 36.414 -6.273 -12.990 1.00 23.54 N ATOM 2117 CA LEU B 210 35.221 -7.042 -12.702 1.00 24.65 C ATOM 2118 C LEU B 210 34.314 -7.141 -13.915 1.00 22.14 C ATOM 2119 O LEU B 210 34.377 -6.318 -14.828 1.00 25.22 O ATOM 2120 CB LEU B 210 34.421 -6.359 -11.595 1.00 31.74 C ATOM 2121 CG LEU B 210 35.134 -6.380 -10.248 1.00 35.97 C ATOM 2122 CD1 LEU B 210 34.279 -5.624 -9.200 1.00 44.33 C ATOM 2123 CD2 LEU B 210 35.415 -7.775 -9.847 1.00 39.86 C ATOM 2124 H LEU B 210 36.465 -5.270 -12.720 1.00 0.00 H ATOM 2125 N PRO B 211 33.413 -8.119 -13.916 1.00 22.33 N ATOM 2126 CA PRO B 211 32.400 -8.207 -14.966 1.00 24.27 C ATOM 2127 C PRO B 211 31.617 -6.908 -15.109 1.00 25.08 C ATOM 2128 O PRO B 211 31.305 -6.251 -14.106 1.00 24.14 O ATOM 2129 CB PRO B 211 31.502 -9.334 -14.454 1.00 24.48 C ATOM 2130 CG PRO B 211 32.382 -10.178 -13.624 1.00 24.08 C ATOM 2131 CD PRO B 211 33.342 -9.242 -12.967 1.00 22.24 C ATOM 2132 N ASP B 212 31.285 -6.557 -16.371 1.00 23.85 N ATOM 2133 CA ASP B 212 30.615 -5.302 -16.679 1.00 21.57 C ATOM 2134 C ASP B 212 29.268 -5.194 -15.971 1.00 25.40 C ATOM 2135 O ASP B 212 28.799 -4.091 -15.671 1.00 27.82 O ATOM 2136 CB ASP B 212 30.287 -5.208 -18.188 1.00 25.34 C ATOM 2137 CG ASP B 212 31.451 -4.735 -19.050 1.00 38.16 C ATOM 2138 OD1 ASP B 212 32.570 -4.561 -18.561 1.00 32.30 O ATOM 2139 OD2 ASP B 212 31.220 -4.548 -20.264 1.00 39.62 O ATOM 2140 H ASP B 212 31.516 -7.206 -17.150 1.00 0.00 H ATOM 2141 N GLU B 213 28.617 -6.317 -15.727 1.00 23.41 N ATOM 2142 CA GLU B 213 27.210 -6.279 -15.357 1.00 23.48 C ATOM 2143 C GLU B 213 26.961 -6.078 -13.870 1.00 22.89 C ATOM 2144 O GLU B 213 25.794 -5.936 -13.474 1.00 24.35 O ATOM 2145 CB GLU B 213 26.484 -7.542 -15.819 1.00 22.35 C ATOM 2146 CG GLU B 213 26.804 -8.851 -15.053 1.00 24.37 C ATOM 2147 CD GLU B 213 28.039 -9.569 -15.535 1.00 35.24 C ATOM 2148 OE1 GLU B 213 28.328 -10.639 -14.953 1.00 31.35 O ATOM 2149 OE2 GLU B 213 28.738 -9.089 -16.482 1.00 29.09 O ATOM 2150 H GLU B 213 29.110 -7.230 -15.799 1.00 0.00 H ATOM 2151 N ILE B 214 27.993 -6.091 -13.032 1.00 23.41 N ATOM 2152 CA ILE B 214 27.788 -6.037 -11.581 1.00 20.94 C ATOM 2153 C ILE B 214 28.089 -4.646 -11.038 1.00 24.40 C ATOM 2154 O ILE B 214 28.763 -3.827 -11.673 1.00 22.94 O ATOM 2155 CB ILE B 214 28.624 -7.100 -10.810 1.00 19.66 C ATOM 2156 CG1 ILE B 214 30.111 -6.833 -10.970 1.00 24.77 C ATOM 2157 CG2 ILE B 214 28.212 -8.488 -11.241 1.00 24.52 C ATOM 2158 CD1 ILE B 214 30.987 -7.703 -10.086 1.00 25.16 C ATOM 2159 H ILE B 214 28.960 -6.140 -13.411 1.00 0.00 H ATOM 2160 N TYR B 215 27.594 -4.377 -9.827 1.00 23.43 N ATOM 2161 CA TYR B 215 27.920 -3.136 -9.141 1.00 19.64 C ATOM 2162 C TYR B 215 29.421 -3.012 -8.948 1.00 18.99 C ATOM 2163 O TYR B 215 30.129 -4.010 -8.780 1.00 21.50 O ATOM 2164 CB TYR B 215 27.285 -3.115 -7.736 1.00 21.96 C ATOM 2165 CG TYR B 215 25.783 -3.013 -7.742 1.00 23.23 C ATOM 2166 CD1 TYR B 215 25.156 -1.838 -8.150 1.00 22.88 C ATOM 2167 CD2 TYR B 215 25.004 -4.073 -7.345 1.00 29.10 C ATOM 2168 CE1 TYR B 215 23.760 -1.751 -8.159 1.00 27.07 C ATOM 2169 CE2 TYR B 215 23.629 -3.991 -7.346 1.00 27.00 C ATOM 2170 CZ TYR B 215 23.016 -2.838 -7.762 1.00 30.80 C ATOM 2171 OH TYR B 215 21.633 -2.774 -7.775 1.00 31.75 O ATOM 2172 HH TYR B 215 21.288 -2.920 -6.858 1.00 0.00 H ATOM 2173 H TYR B 215 26.965 -5.066 -9.367 1.00 0.00 H ATOM 2174 N HIS B 216 29.908 -1.773 -8.988 1.00 21.92 N ATOM 2175 CA HIS B 216 31.270 -1.498 -8.606 1.00 19.65 C ATOM 2176 C HIS B 216 31.536 -1.984 -7.185 1.00 18.34 C ATOM 2177 O HIS B 216 30.653 -1.983 -6.324 1.00 22.08 O ATOM 2178 CB HIS B 216 31.573 -0.001 -8.651 1.00 22.85 C ATOM 2179 CG HIS B 216 31.671 0.558 -10.033 1.00 23.80 C ATOM 2180 ND1 HIS B 216 32.671 0.196 -10.914 1.00 34.34 N ATOM 2181 CD2 HIS B 216 30.929 1.497 -10.664 1.00 25.76 C ATOM 2182 CE1 HIS B 216 32.508 0.863 -12.045 1.00 45.08 C ATOM 2183 NE2 HIS B 216 31.454 1.650 -11.919 1.00 31.88 N ATOM 2184 H HIS B 216 29.296 -0.992 -9.300 1.00 0.00 H ATOM 2185 N VAL B 217 32.766 -2.416 -6.963 1.00 18.98 N ATOM 2186 CA VAL B 217 33.221 -2.898 -5.655 1.00 16.51 C ATOM 2187 C VAL B 217 34.366 -1.993 -5.229 1.00 19.46 C ATOM 2188 O VAL B 217 35.269 -1.703 -6.020 1.00 20.78 O ATOM 2189 CB VAL B 217 33.681 -4.360 -5.729 1.00 21.57 C ATOM 2190 CG1 VAL B 217 34.302 -4.836 -4.392 1.00 21.30 C ATOM 2191 CG2 VAL B 217 32.487 -5.240 -6.098 1.00 20.64 C ATOM 2192 H VAL B 217 33.442 -2.414 -7.753 1.00 0.00 H ATOM 2193 N TYR B 218 34.314 -1.547 -3.982 1.00 16.88 N ATOM 2194 CA TYR B 218 35.372 -0.712 -3.445 1.00 19.64 C ATOM 2195 C TYR B 218 35.910 -1.298 -2.151 1.00 20.07 C ATOM 2196 O TYR B 218 35.193 -1.962 -1.388 1.00 19.09 O ATOM 2197 CB TYR B 218 34.851 0.688 -3.109 1.00 19.64 C ATOM 2198 CG TYR B 218 34.787 1.656 -4.295 1.00 20.65 C ATOM 2199 CD1 TYR B 218 33.804 1.565 -5.254 1.00 22.92 C ATOM 2200 CD2 TYR B 218 35.732 2.668 -4.408 1.00 21.89 C ATOM 2201 CE1 TYR B 218 33.775 2.465 -6.327 1.00 23.89 C ATOM 2202 CE2 TYR B 218 35.702 3.570 -5.465 1.00 25.41 C ATOM 2203 CZ TYR B 218 34.719 3.454 -6.419 1.00 28.92 C ATOM 2204 OH TYR B 218 34.679 4.347 -7.472 1.00 27.58 O ATOM 2205 HH TYR B 218 35.524 4.288 -7.985 1.00 0.00 H ATOM 2206 H TYR B 218 33.504 -1.799 -3.380 1.00 0.00 H ATOM 2207 N SER B 219 37.175 -0.995 -1.893 1.00 16.77 N ATOM 2208 CA SER B 219 37.816 -1.283 -0.613 1.00 18.79 C ATOM 2209 C SER B 219 38.163 0.015 0.119 1.00 21.38 C ATOM 2210 O SER B 219 38.716 0.957 -0.472 1.00 21.38 O ATOM 2211 CB SER B 219 39.101 -2.078 -0.829 1.00 20.54 C ATOM 2212 OG SER B 219 38.836 -3.288 -1.503 1.00 20.57 O ATOM 2213 HG SER B 219 38.430 -3.091 -2.384 1.00 0.00 H ATOM 2214 H SER B 219 37.736 -0.531 -2.636 1.00 0.00 H ATOM 2215 N PHE B 220 37.887 0.032 1.422 1.00 18.51 N ATOM 2216 CA PHE B 220 38.272 1.134 2.289 1.00 19.65 C ATOM 2217 C PHE B 220 39.098 0.592 3.445 1.00 21.02 C ATOM 2218 O PHE B 220 38.773 -0.445 3.996 1.00 20.00 O ATOM 2219 CB PHE B 220 37.047 1.804 2.916 1.00 20.26 C ATOM 2220 CG PHE B 220 35.984 2.200 1.920 1.00 21.79 C ATOM 2221 CD1 PHE B 220 35.023 1.274 1.518 1.00 25.73 C ATOM 2222 CD2 PHE B 220 35.951 3.471 1.387 1.00 27.64 C ATOM 2223 CE1 PHE B 220 34.036 1.613 0.589 1.00 30.91 C ATOM 2224 CE2 PHE B 220 34.956 3.823 0.453 1.00 28.29 C ATOM 2225 CZ PHE B 220 33.999 2.891 0.070 1.00 31.70 C ATOM 2226 H PHE B 220 37.376 -0.774 1.835 1.00 0.00 H ATOM 2227 N ALA B 221 40.167 1.301 3.820 1.00 16.76 N ATOM 2228 CA ALA B 221 40.901 1.044 5.038 1.00 15.06 C ATOM 2229 C ALA B 221 40.620 2.177 6.004 1.00 20.98 C ATOM 2230 O ALA B 221 40.613 3.342 5.608 1.00 19.31 O ATOM 2231 CB ALA B 221 42.408 0.936 4.811 1.00 19.16 C ATOM 2232 H ALA B 221 40.487 2.076 3.205 1.00 0.00 H ATOM 2233 N LEU B 222 40.376 1.823 7.264 1.00 19.04 N ATOM 2234 CA LEU B 222 39.954 2.805 8.261 1.00 19.13 C ATOM 2235 C LEU B 222 40.494 2.418 9.636 1.00 23.82 C ATOM 2236 O LEU B 222 40.858 1.272 9.896 1.00 22.06 O ATOM 2237 CB LEU B 222 38.430 2.990 8.284 1.00 24.82 C ATOM 2238 CG LEU B 222 37.536 1.775 8.204 1.00 22.76 C ATOM 2239 CD1 LEU B 222 36.215 1.984 8.921 1.00 23.72 C ATOM 2240 CD2 LEU B 222 37.284 1.408 6.751 1.00 28.33 C ATOM 2241 H LEU B 222 40.488 0.828 7.545 1.00 0.00 H ATOM 2242 N ARG B 223 40.582 3.405 10.521 1.00 22.15 N ATOM 2243 CA ARG B 223 40.907 3.060 11.905 1.00 22.70 C ATOM 2244 C ARG B 223 40.390 4.090 12.882 1.00 29.44 C ATOM 2245 O ARG B 223 39.756 5.083 12.464 1.00 27.67 O ATOM 2246 CB ARG B 223 42.399 2.844 12.070 1.00 29.21 C ATOM 2247 CG ARG B 223 43.233 4.072 11.898 1.00 31.91 C ATOM 2248 CD ARG B 223 44.632 3.885 12.527 1.00 30.26 C ATOM 2249 NE ARG B 223 45.465 2.776 12.013 1.00 35.71 N ATOM 2250 CZ ARG B 223 46.486 2.913 11.159 1.00 30.83 C ATOM 2251 NH1 ARG B 223 46.804 4.126 10.699 1.00 32.29 N ATOM 2252 NH2 ARG B 223 47.211 1.857 10.774 1.00 28.28 N ATOM 2253 OXT ARG B 223 40.613 3.947 14.088 1.00 30.75 O ATOM 2254 HE ARG B 223 45.240 1.815 12.341 1.00 0.00 H ATOM 2255 HH12 ARG B 223 47.596 4.239 10.035 1.00 0.00 H ATOM 2256 HH11 ARG B 223 46.259 4.957 11.005 1.00 0.00 H ATOM 2257 HH22 ARG B 223 48.001 1.983 10.109 1.00 0.00 H ATOM 2258 HH21 ARG B 223 46.985 0.910 11.139 1.00 0.00 H ATOM 2259 H ARG B 223 40.425 4.393 10.238 1.00 0.00 H TER 2260 ARG B 223 HETATM 2261 O HOH 1 29.524 -19.476 -8.914 1.00 41.92 O HETATM 2262 O HOH 2 48.424 1.439 -3.890 1.00 41.08 O HETATM 2263 O HOH 3 39.506 -14.576 20.131 1.00 51.58 O HETATM 2264 O HOH 4 27.810 -28.937 5.884 1.00 45.71 O HETATM 2265 O HOH 5 40.489 -27.439 12.137 1.00 40.56 O HETATM 2266 O HOH 6 14.434 -20.871 -0.797 1.00 43.07 O HETATM 2267 O HOH 7 31.170 -5.496 3.856 1.00 27.14 O HETATM 2268 O HOH 8 27.455 7.863 -7.946 1.00 49.29 O HETATM 2269 O HOH 9 38.567 -2.145 -14.561 1.00 46.74 O HETATM 2270 O HOH 10 15.953 1.149 11.026 1.00 45.39 O HETATM 2271 O HOH 11 45.020 -20.482 16.298 1.00 37.95 O HETATM 2272 O HOH 12 38.365 -26.603 0.498 1.00 49.16 O HETATM 2273 O HOH 13 50.340 -9.486 -3.646 1.00 39.55 O HETATM 2274 O HOH 14 21.749 3.386 19.027 1.00 46.12 O HETATM 2275 O HOH 15 26.946 -24.645 -4.514 1.00 31.58 O HETATM 2276 O HOH 16 27.826 -7.560 22.009 1.00 38.32 O HETATM 2277 O HOH 17 17.695 -20.390 -2.240 1.00 34.40 O HETATM 2278 O HOH 18 30.193 4.879 21.664 1.00 41.34 O HETATM 2279 O HOH 19 44.179 -15.715 -6.223 1.00 39.48 O HETATM 2280 O HOH 20 12.242 0.158 0.112 1.00 45.08 O HETATM 2281 O HOH 21 35.678 -15.664 4.511 1.00 23.14 O HETATM 2282 O HOH 22 38.793 -15.408 -10.467 1.00 29.57 O HETATM 2283 O HOH 23 24.746 -1.466 17.681 1.00 32.13 O HETATM 2284 O HOH 24 17.262 -0.866 16.455 1.00 46.46 O HETATM 2285 O HOH 25 22.229 6.821 11.597 1.00 36.26 O HETATM 2286 O HOH 26 44.135 -22.567 16.904 1.00 40.22 O HETATM 2287 O HOH 27 48.535 -12.905 -5.412 1.00 47.59 O HETATM 2288 O HOH 28 31.217 -3.791 -13.214 1.00 29.96 O HETATM 2289 O HOH 29 42.285 2.769 15.723 1.00 39.53 O HETATM 2290 O HOH 30 11.148 -12.804 8.256 1.00 37.61 O HETATM 2291 O HOH 31 34.215 -11.195 5.195 1.00 24.54 O HETATM 2292 O HOH 32 41.298 1.166 -8.841 1.00 32.46 O HETATM 2293 O HOH 33 39.859 -26.769 9.545 1.00 29.57 O HETATM 2294 O HOH 34 32.336 -29.607 9.408 1.00 32.76 O HETATM 2295 O HOH 35 51.631 0.882 6.944 1.00 39.77 O HETATM 2296 O HOH 36 38.154 -18.914 -3.663 1.00 30.28 O HETATM 2297 O HOH 37 37.972 6.881 -5.114 1.00 32.69 O HETATM 2298 O HOH 38 44.843 2.228 -6.171 1.00 36.56 O HETATM 2299 O HOH 39 11.936 -10.736 -4.593 1.00 52.28 O HETATM 2300 O HOH 40 20.134 -16.706 -4.225 1.00 38.47 O HETATM 2301 O HOH 41 27.992 0.398 -9.074 1.00 29.79 O HETATM 2302 O HOH 42 48.088 -14.657 17.188 1.00 35.72 O HETATM 2303 O HOH 43 53.158 -3.670 13.982 1.00 41.40 O HETATM 2304 O HOH 44 27.526 0.107 -0.296 1.00 23.08 O HETATM 2305 O HOH 45 42.030 10.595 4.828 1.00 41.14 O HETATM 2306 O HOH 46 31.531 -26.676 0.544 1.00 32.03 O HETATM 2307 O HOH 47 19.606 -19.744 14.679 1.00 46.23 O HETATM 2308 O HOH 48 32.803 -21.512 18.451 1.00 40.13 O HETATM 2309 O HOH 49 38.854 -19.499 -0.998 1.00 29.67 O HETATM 2310 O HOH 50 24.988 -26.752 10.633 1.00 28.12 O HETATM 2311 O HOH 51 44.718 -3.989 -4.875 1.00 28.87 O HETATM 2312 O HOH 52 25.298 0.336 20.585 1.00 46.26 O HETATM 2313 O HOH 53 50.872 -3.712 16.838 1.00 39.52 O HETATM 2314 O HOH 54 47.613 -26.849 10.446 1.00 37.19 O HETATM 2315 O HOH 55 36.764 6.009 -7.806 1.00 32.35 O HETATM 2316 O HOH 56 22.458 -17.115 14.305 1.00 28.11 O HETATM 2317 O HOH 57 47.842 -10.201 -5.162 1.00 37.00 O HETATM 2318 O HOH 58 11.929 -4.149 5.902 1.00 39.28 O HETATM 2319 O HOH 59 14.026 -6.577 3.438 1.00 31.05 O HETATM 2320 O HOH 60 13.794 -8.972 -6.590 1.00 43.97 O HETATM 2321 O HOH 61 20.313 -4.488 -6.146 1.00 26.84 O HETATM 2322 O HOH 62 46.131 6.643 11.438 1.00 43.35 O HETATM 2323 O HOH 63 47.464 -30.375 13.057 1.00 38.23 O HETATM 2324 O HOH 64 44.898 -1.230 21.099 1.00 46.18 O HETATM 2325 O HOH 65 19.079 0.285 13.383 1.00 29.55 O HETATM 2326 O HOH 66 14.781 -9.466 13.287 1.00 27.53 O HETATM 2327 O HOH 67 28.826 5.106 -5.854 1.00 27.72 O HETATM 2328 O HOH 68 26.443 12.130 -4.234 1.00 49.76 O HETATM 2329 O HOH 69 53.837 -6.442 9.350 1.00 35.05 O HETATM 2330 O HOH 70 55.633 -18.998 16.881 1.00 26.28 O HETATM 2331 O HOH 71 38.739 -2.752 -4.187 1.00 23.59 O HETATM 2332 O HOH 72 54.673 -8.445 7.297 1.00 38.36 O HETATM 2333 O HOH 73 20.145 -24.015 9.397 1.00 29.72 O HETATM 2334 O HOH 74 36.723 -10.988 19.735 1.00 30.40 O HETATM 2335 O HOH 75 19.935 -11.149 10.232 1.00 22.93 O HETATM 2336 O HOH 76 24.112 -16.965 -2.945 1.00 29.43 O HETATM 2337 O HOH 77 30.632 -18.671 -11.653 1.00 36.33 O HETATM 2338 O HOH 78 38.905 -30.812 5.197 1.00 44.37 O HETATM 2339 O HOH 79 34.773 -12.554 23.178 1.00 46.01 O HETATM 2340 O HOH 80 41.146 -3.443 -5.119 1.00 30.05 O HETATM 2341 O HOH 81 22.416 -5.598 -1.982 1.00 23.24 O HETATM 2342 O HOH 82 52.769 -14.265 5.133 1.00 38.55 O HETATM 2343 O HOH 83 39.548 -24.986 13.523 1.00 47.14 O HETATM 2344 O HOH 84 52.402 -12.157 6.984 1.00 24.22 O HETATM 2345 O HOH 85 50.931 -4.456 -2.275 1.00 37.42 O HETATM 2346 O HOH 86 42.910 -8.727 -9.145 1.00 28.00 O HETATM 2347 O HOH 87 22.860 -11.898 16.515 1.00 32.64 O HETATM 2348 O HOH 88 24.038 -10.376 0.611 1.00 25.24 O HETATM 2349 O HOH 89 48.504 -3.973 13.932 1.00 23.53 O HETATM 2350 O HOH 90 39.675 -19.749 -7.494 1.00 45.12 O HETATM 2351 O HOH 91 25.863 9.505 -5.852 1.00 46.15 O HETATM 2352 O HOH 92 21.351 -27.305 9.182 1.00 25.86 O HETATM 2353 O HOH 93 45.005 -21.278 4.073 1.00 36.07 O HETATM 2354 O HOH 94 40.432 5.904 -4.933 1.00 25.30 O HETATM 2355 O HOH 95 22.922 -22.342 4.939 1.00 19.88 O HETATM 2356 O HOH 96 11.898 -14.888 7.110 1.00 36.13 O HETATM 2357 O HOH 97 47.015 -13.809 1.268 1.00 28.69 O HETATM 2358 O HOH 98 35.913 -3.508 -12.190 1.00 24.99 O HETATM 2359 O HOH 99 14.231 -14.735 3.199 1.00 29.17 O HETATM 2360 O HOH 100 34.423 -2.153 -9.320 1.00 26.34 O HETATM 2361 O HOH 101 54.861 -9.110 11.518 1.00 40.18 O HETATM 2362 O HOH 102 12.108 -2.218 3.138 1.00 40.01 O HETATM 2363 O HOH 103 49.711 0.397 8.890 1.00 27.71 O HETATM 2364 O HOH 104 29.803 -10.128 21.188 1.00 26.47 O HETATM 2365 O HOH 105 30.085 -12.742 -15.486 1.00 32.86 O HETATM 2366 O HOH 106 23.343 -19.652 17.149 1.00 29.32 O HETATM 2367 O HOH 107 41.823 1.953 18.022 1.00 43.02 O HETATM 2368 O HOH 108 25.855 -2.668 15.583 1.00 22.74 O HETATM 2369 O HOH 109 35.293 -3.612 21.081 1.00 38.17 O HETATM 2370 O HOH 110 15.628 -20.731 5.764 1.00 29.45 O HETATM 2371 O HOH 111 14.886 -6.680 -5.321 1.00 36.88 O HETATM 2372 O HOH 112 12.667 -10.582 14.517 1.00 43.55 O HETATM 2373 O HOH 113 20.831 -18.399 11.354 1.00 32.38 O HETATM 2374 O HOH 114 44.697 1.276 14.957 1.00 33.94 O HETATM 2375 O HOH 115 22.376 -12.801 -2.853 1.00 32.25 O HETATM 2376 O HOH 116 26.809 -6.048 1.608 1.00 28.06 O HETATM 2377 O HOH 117 46.551 -0.235 -2.915 1.00 41.72 O HETATM 2378 O HOH 118 28.166 8.443 21.619 1.00 41.59 O HETATM 2379 O HOH 119 28.898 -6.217 -7.450 1.00 22.43 O HETATM 2380 O HOH 120 21.376 0.919 18.089 1.00 44.56 O HETATM 2381 O HOH 121 38.764 -10.700 -0.670 1.00 21.37 O HETATM 2382 O HOH 122 46.820 -0.509 -0.311 1.00 37.64 O HETATM 2383 O HOH 123 20.135 -7.953 6.846 1.00 19.94 O HETATM 2384 O HOH 124 26.823 -27.146 7.215 1.00 35.91 O HETATM 2385 O HOH 125 36.028 10.888 10.895 1.00 33.15 O HETATM 2386 O HOH 126 30.390 11.649 1.952 1.00 38.12 O HETATM 2387 O HOH 127 44.344 -25.726 4.567 1.00 39.41 O HETATM 2388 O HOH 128 21.315 -17.301 8.871 1.00 22.20 O HETATM 2389 O HOH 129 33.135 -17.379 2.638 1.00 19.63 O HETATM 2390 O HOH 130 45.836 8.146 4.598 1.00 29.97 O HETATM 2391 O HOH 131 27.549 -1.530 -15.828 1.00 40.37 O HETATM 2392 O HOH 132 12.645 -7.144 1.060 1.00 43.41 O HETATM 2393 O HOH 133 21.584 6.627 19.280 1.00 46.25 O HETATM 2394 O HOH 134 23.278 -5.751 -14.825 1.00 34.23 O HETATM 2395 O HOH 135 40.808 -5.091 -2.548 1.00 23.74 O HETATM 2396 O HOH 136 33.780 -27.530 2.069 1.00 27.95 O HETATM 2397 O HOH 137 49.617 -27.184 8.218 1.00 48.69 O HETATM 2398 O HOH 138 44.749 0.677 17.686 1.00 38.91 O HETATM 2399 O HOH 139 25.458 9.743 9.508 1.00 32.85 O HETATM 2400 O HOH 140 25.855 -1.099 1.689 1.00 25.04 O HETATM 2401 O HOH 141 20.922 -3.909 -3.577 1.00 26.28 O HETATM 2402 O HOH 142 22.394 -22.032 10.005 1.00 24.95 O HETATM 2403 O HOH 143 13.715 -3.499 -4.029 1.00 47.26 O HETATM 2404 O HOH 144 20.283 9.900 18.635 1.00 27.30 O HETATM 2405 O HOH 145 23.744 7.524 9.442 1.00 41.25 O HETATM 2406 O HOH 146 33.947 -2.621 22.888 1.00 45.83 O HETATM 2407 O HOH 147 10.531 -10.501 11.768 1.00 41.05 O HETATM 2408 O HOH 148 26.567 -3.170 -0.368 1.00 33.99 O HETATM 2409 O HOH 149 38.877 10.389 7.329 1.00 35.68 O HETATM 2410 O HOH 150 18.962 -7.950 15.085 1.00 41.92 O HETATM 2411 O HOH 151 39.133 -30.295 8.462 1.00 42.86 O HETATM 2412 O HOH 152 14.715 -15.229 10.643 1.00 26.94 O HETATM 2413 O HOH 153 41.919 -6.758 -10.714 1.00 41.69 O HETATM 2414 O HOH 154 40.157 3.816 -6.959 1.00 28.29 O HETATM 2415 O HOH 155 34.169 -11.319 20.896 1.00 29.75 O HETATM 2416 O HOH 156 19.754 3.266 10.506 1.00 24.31 O HETATM 2417 O HOH 157 32.602 -8.205 -18.427 1.00 35.58 O HETATM 2418 O HOH 158 45.945 -16.007 20.782 1.00 43.17 O HETATM 2419 O HOH 159 40.628 -16.141 21.928 1.00 44.30 O HETATM 2420 O HOH 160 31.353 -23.709 -5.170 1.00 31.71 O HETATM 2421 O HOH 161 25.248 -5.346 -1.799 1.00 27.87 O HETATM 2422 O HOH 162 25.433 8.617 4.704 1.00 38.88 O HETATM 2423 O HOH 163 25.533 -4.510 19.878 1.00 44.15 O HETATM 2424 O HOH 164 32.358 12.045 0.017 1.00 40.93 O HETATM 2425 O HOH 165 35.890 -8.058 -5.699 1.00 35.58 O HETATM 2426 O HOH 166 11.557 -11.805 -1.776 1.00 53.62 O HETATM 2427 O HOH 167 52.930 -8.990 14.225 1.00 38.09 O HETATM 2428 O HOH 168 38.734 -29.125 2.285 1.00 49.63 O HETATM 2429 O HOH 169 35.113 -21.284 18.595 1.00 38.05 O HETATM 2430 O HOH 170 41.236 -22.734 18.916 1.00 49.87 O HETATM 2431 O HOH 171 14.855 -15.171 -1.091 1.00 46.78 O HETATM 2432 O HOH 172 37.767 -23.104 17.817 1.00 44.63 O HETATM 2433 O HOH 173 31.075 -10.261 -17.967 1.00 42.07 O HETATM 2434 O HOH 174 52.693 -17.593 5.238 1.00 43.92 O HETATM 2435 O HOH 175 32.966 -24.725 -2.348 1.00 32.56 O HETATM 2436 O HOH 176 47.013 2.786 16.050 1.00 48.09 O HETATM 2437 O HOH 177 11.517 -0.340 11.643 1.00 41.16 O HETATM 2438 O HOH 178 38.721 -0.469 23.617 1.00 43.70 O HETATM 2439 O HOH 179 17.437 -4.180 -6.327 1.00 37.85 O HETATM 2440 O HOH 180 15.395 0.082 -3.649 1.00 30.82 O HETATM 2441 O HOH 181 14.665 -23.012 1.191 1.00 50.80 O HETATM 2442 O HOH 182 41.895 -3.989 -8.287 1.00 26.18 O HETATM 2443 O HOH 183 18.122 2.153 12.277 1.00 38.50 O HETATM 2444 O HOH 184 33.427 -2.461 -12.210 1.00 32.93 O HETATM 2445 O HOH 185 36.216 -32.005 8.511 1.00 45.88 O HETATM 2446 O HOH 186 11.243 -3.188 13.388 1.00 39.08 O HETATM 2447 O HOH 187 43.225 -33.632 10.590 1.00 56.94 O HETATM 2448 O HOH 188 13.864 -19.183 9.107 1.00 48.74 O HETATM 2449 O HOH 189 19.385 -1.843 18.445 1.00 49.53 O HETATM 2450 O HOH 190 47.773 -20.541 4.932 1.00 30.80 O HETATM 2451 O HOH 191 51.631 -15.134 2.170 1.00 47.88 O HETATM 2452 O HOH 192 19.059 2.257 7.752 1.00 20.91 O HETATM 2453 O HOH 193 42.631 -2.782 -15.274 1.00 43.61 O HETATM 2454 O HOH 194 49.828 -13.818 0.727 1.00 38.04 O HETATM 2455 O HOH 195 19.459 1.348 15.884 1.00 33.88 O HETATM 2456 O HOH 196 34.579 7.387 -9.298 1.00 50.68 O HETATM 2457 O HOH 197 47.137 -9.507 -9.491 1.00 47.36 O HETATM 2458 O HOH 198 19.297 -11.117 12.885 1.00 30.02 O HETATM 2459 O HOH 199 23.590 -15.729 16.352 1.00 41.97 O HETATM 2460 O HOH 200 24.103 12.030 9.348 1.00 39.28 O HETATM 2461 O HOH 201 45.287 -7.448 -8.271 1.00 37.38 O HETATM 2462 O HOH 202 16.449 -11.621 12.905 1.00 31.74 O HETATM 2463 O HOH 203 47.356 -12.777 18.871 1.00 48.11 O HETATM 2464 O HOH 204 40.333 -19.913 21.717 1.00 48.48 O HETATM 2465 O HOH 205 45.838 -20.694 0.383 1.00 46.14 O HETATM 2466 O HOH 206 17.943 -24.865 7.731 1.00 35.47 O HETATM 2467 O HOH 207 45.127 -4.625 -7.482 1.00 34.95 O HETATM 2468 O HOH 208 43.270 -1.228 -8.698 1.00 49.88 O HETATM 2469 O HOH 209 50.325 -0.238 -5.239 1.00 45.50 O HETATM 2470 O HOH 210 22.900 -17.544 -7.041 1.00 42.99 O HETATM 2471 O HOH 211 29.112 -7.674 -21.233 1.00 47.87 O HETATM 2472 O HOH 212 37.548 5.884 20.752 1.00 52.76 O HETATM 2473 O HOH 213 23.481 -13.125 -11.529 1.00 42.24 O HETATM 2474 O HOH 214 37.815 3.333 20.634 1.00 38.13 O HETATM 2475 O HOH 215 38.561 -12.879 21.355 1.00 40.43 O HETATM 2476 O HOH 216 55.888 -10.247 9.047 1.00 36.59 O HETATM 2477 O HOH 217 20.233 -12.401 14.976 1.00 35.81 O HETATM 2478 O HOH 218 29.809 -25.622 -5.753 1.00 49.62 O HETATM 2479 O HOH 219 39.972 2.802 20.997 1.00 53.14 O HETATM 2480 O HOH 220 23.345 8.069 21.970 1.00 45.70 O HETATM 2481 O HOH 221 23.284 -18.839 -4.634 1.00 37.39 O HETATM 2482 O HOH 222 37.093 12.098 8.702 1.00 48.15 O HETATM 2483 O HOH 223 13.546 -4.246 4.268 1.00 40.43 O HETATM 2484 O HOH 224 14.563 -0.680 -5.787 1.00 45.59 O HETATM 2485 O HOH 225 17.736 -16.831 -4.385 1.00 43.96 O HETATM 2486 O HOH 226 44.227 -22.238 -0.290 1.00 47.07 O HETATM 2487 O HOH 227 16.524 -6.245 -7.104 1.00 48.29 O HETATM 2488 O HOH 228 37.418 -14.061 23.003 1.00 50.11 O HETATM 2489 O HOH 229 35.657 -28.770 0.979 1.00 41.80 O HETATM 2490 O HOH 230 54.409 -5.745 14.031 1.00 48.90 O HETATM 2491 O HOH 231 11.728 -14.960 4.289 1.00 33.58 O HETATM 2492 O HOH 232 46.301 -20.882 -6.085 1.00 37.56 O HETATM 2493 O HOH 233 44.975 -23.673 2.889 1.00 38.51 O HETATM 2494 O HOH 234 35.707 -24.466 -3.505 1.00 44.28 O HETATM 2495 O HOH 235 16.100 -7.500 14.799 1.00 36.77 O HETATM 2496 O HOH 236 15.035 -13.875 12.890 1.00 35.81 O HETATM 2497 O HOH 237 32.436 -26.860 -1.829 1.00 40.50 O HETATM 2498 O HOH 238 16.261 -1.993 -7.827 1.00 45.88 O HETATM 2499 O HOH 239 12.693 -0.905 -2.296 1.00 43.20 O HETATM 2500 O HOH 240 22.633 -8.247 -16.382 1.00 44.81 O HETATM 2501 O HOH 241 20.849 -7.122 -8.101 1.00 43.80 O HETATM 2502 O HOH 242 26.585 -9.261 -0.259 1.00 42.44 O HETATM 2503 O HOH 243 24.839 -12.337 -7.198 1.00 24.22 O HETATM 2504 O HOH 244 20.245 -0.826 -9.489 1.00 40.64 O HETATM 2505 O HOH 245 21.480 -9.835 8.354 1.00 19.58 O HETATM 2506 O HOH 246 20.087 -3.089 -14.994 1.00 48.33 O HETATM 2507 O HOH 247 23.482 -11.234 -9.361 1.00 28.35 O HETATM 2508 O HOH 248 17.968 -0.081 -8.944 1.00 39.79 O HETATM 2509 O HOH 249 22.655 -12.538 -5.494 1.00 35.66 O HETATM 2510 C1 MOL A 250 26.812 -12.212 -0.656 1.00 -0.02 C HETATM 2511 C2 MOL A 250 28.082 -12.280 0.269 1.00 0.03 C HETATM 2512 C3 MOL A 250 28.185 -13.672 0.933 1.00 -0.03 C HETATM 2513 N2 MOL A 250 28.604 -13.558 2.370 1.00 0.24 N HETATM 2514 C4 MOL A 250 29.968 -13.044 2.513 1.00 -0.03 C HETATM 2515 C10 MOL A 250 30.817 -14.330 2.797 1.00 0.04 C HETATM 2516 C5 MOL A 250 32.268 -13.820 2.840 1.00 0.03 C HETATM 2517 N3 MOL A 250 32.308 -12.487 3.348 1.00 0.23 N HETATM 2518 H17 MOL A 250 33.263 -12.165 3.371 1.00 0.20 H HETATM 2519 H18 MOL A 250 31.925 -12.471 4.280 1.00 0.20 H HETATM 2520 H19 MOL A 250 31.764 -11.883 2.751 1.00 0.20 H HETATM 2521 C11 MOL A 250 32.863 -13.883 1.395 1.00 0.08 C HETATM 2522 O1 MOL A 250 33.115 -12.799 0.770 1.00 -0.56 O HETATM 2523 O2 MOL A 250 33.127 -14.996 0.901 1.00 -0.56 O HETATM 2524 H9 MOL A 250 32.860 -14.469 3.502 1.00 0.10 H HETATM 2525 H15 MOL A 250 30.687 -15.069 1.993 1.00 0.04 H HETATM 2526 H16 MOL A 250 30.533 -14.781 3.759 1.00 0.04 H HETATM 2527 H7 MOL A 250 30.035 -12.336 3.352 1.00 0.08 H HETATM 2528 H8 MOL A 250 30.301 -12.550 1.588 1.00 0.08 H HETATM 2529 C6 MOL A 250 27.671 -12.827 3.239 1.00 -0.00 C HETATM 2530 C12 MOL A 250 27.804 -13.429 4.658 1.00 0.13 C HETATM 2531 C7 MOL A 250 27.137 -14.821 4.825 1.00 0.12 C HETATM 2532 C14 MOL A 250 26.013 -14.476 5.829 1.00 0.14 C HETATM 2533 C13 MOL A 250 26.490 -13.459 6.605 1.00 0.20 C HETATM 2534 O3 MOL A 250 27.143 -12.559 5.483 1.00 -0.33 O HETATM 2535 N4 MOL A 250 25.570 -12.482 7.172 1.00 -0.19 N HETATM 2536 C8 MOL A 250 24.431 -11.974 6.658 1.00 0.11 C HETATM 2537 N5 MOL A 250 23.918 -11.102 7.539 1.00 -0.30 N HETATM 2538 C9 MOL A 250 24.749 -11.054 8.614 1.00 0.10 C HETATM 2539 C15 MOL A 250 24.751 -10.354 9.808 1.00 0.13 C HETATM 2540 N6 MOL A 250 23.772 -9.448 10.205 1.00 -0.32 N HETATM 2541 H25 MOL A 250 23.852 -8.969 11.113 1.00 0.18 H HETATM 2542 H26 MOL A 250 22.968 -9.256 9.590 1.00 0.18 H HETATM 2543 N7 MOL A 250 25.743 -10.519 10.697 1.00 -0.27 N HETATM 2544 C16 MOL A 250 26.734 -11.390 10.456 1.00 0.05 C HETATM 2545 N8 MOL A 250 26.780 -12.104 9.304 1.00 -0.27 N HETATM 2546 C17 MOL A 250 25.769 -11.921 8.379 1.00 0.16 C HETATM 2547 H27 MOL A 250 27.514 -11.526 11.197 1.00 0.10 H HETATM 2548 H13 MOL A 250 24.000 -12.229 5.691 1.00 0.13 H HETATM 2549 H21 MOL A 250 27.183 -13.840 7.370 1.00 0.10 H HETATM 2550 O4 MOL A 250 25.776 -15.633 6.678 1.00 -0.38 O HETATM 2551 H23 MOL A 250 26.591 -15.894 7.090 1.00 0.21 H HETATM 2552 H22 MOL A 250 25.091 -14.180 5.307 1.00 0.07 H HETATM 2553 O5 MOL A 250 27.999 -15.784 5.321 1.00 -0.39 O HETATM 2554 H24 MOL A 250 28.402 -15.465 6.120 1.00 0.21 H HETATM 2555 H12 MOL A 250 26.723 -15.176 3.870 1.00 0.06 H HETATM 2556 H20 MOL A 250 28.867 -13.502 4.931 1.00 0.07 H HETATM 2557 H10 MOL A 250 26.641 -12.948 2.873 1.00 0.08 H HETATM 2558 H11 MOL A 250 27.931 -11.758 3.257 1.00 0.08 H HETATM 2559 H14 MOL A 250 28.620 -14.503 2.721 1.00 0.20 H HETATM 2560 H5 MOL A 250 28.927 -14.275 0.390 1.00 0.08 H HETATM 2561 H6 MOL A 250 27.204 -14.167 0.883 1.00 0.08 H HETATM 2562 H3 MOL A 250 28.004 -11.510 1.050 1.00 0.04 H HETATM 2563 H4 MOL A 250 28.982 -12.099 -0.336 1.00 0.04 H HETATM 2564 N MOL A 250 26.932 -11.396 -1.830 1.00 0.25 N HETATM 2565 CA MOL A 250 27.844 -11.532 -2.966 1.00 0.07 C HETATM 2566 C MOL A 250 27.959 -10.263 -3.823 1.00 0.23 C HETATM 2567 O MOL A 250 27.194 -9.349 -3.626 1.00 -0.39 O HETATM 2568 N MOL A 250 28.895 -10.230 -4.768 1.00 -0.25 N HETATM 2569 CA MOL A 250 28.756 -9.283 -5.881 1.00 0.13 C HETATM 2570 C MOL A 250 27.439 -9.569 -6.574 1.00 0.20 C HETATM 2571 O MOL A 250 26.906 -10.681 -6.498 1.00 -0.39 O HETATM 2572 N MOL A 250 26.873 -8.543 -7.212 1.00 -0.26 N HETATM 2573 CA MOL A 250 25.596 -8.816 -7.853 1.00 0.13 C HETATM 2574 C MOL A 250 25.342 -7.910 -9.055 1.00 0.20 C HETATM 2575 O MOL A 250 25.894 -6.809 -9.183 1.00 -0.39 O HETATM 2576 N MOL A 250 24.445 -8.393 -9.909 1.00 -0.26 N HETATM 2577 CA MOL A 250 24.065 -7.667 -11.112 1.00 0.13 C HETATM 2578 C MOL A 250 23.368 -6.360 -10.776 1.00 0.20 C HETATM 2579 O MOL A 250 22.498 -6.282 -9.892 1.00 -0.39 O HETATM 2580 N MOL A 250 23.770 -5.316 -11.490 1.00 -0.26 N HETATM 2581 CA MOL A 250 23.107 -4.018 -11.418 1.00 0.13 C HETATM 2582 C MOL A 250 21.633 -4.207 -11.725 1.00 0.20 C HETATM 2583 O MOL A 250 21.260 -4.686 -12.803 1.00 -0.39 O HETATM 2584 N MOL A 250 20.781 -3.848 -10.767 1.00 -0.26 N HETATM 2585 CA MOL A 250 19.352 -4.118 -10.890 1.00 0.13 C HETATM 2586 C MOL A 250 18.700 -3.060 -11.787 1.00 0.20 C HETATM 2587 O MOL A 250 19.067 -1.879 -11.749 1.00 -0.39 O HETATM 2588 N MOL A 250 17.742 -3.494 -12.601 1.00 -0.30 N HETATM 2589 H85 MOL A 250 17.277 -2.853 -13.212 1.00 0.18 H HETATM 2590 H86 MOL A 250 17.487 -4.461 -12.602 1.00 0.18 H HETATM 2591 CB MOL A 250 18.688 -4.173 -9.504 1.00 -0.02 C HETATM 2592 H82 MOL A 250 17.613 -4.377 -9.620 1.00 0.03 H HETATM 2593 H83 MOL A 250 18.825 -3.208 -8.993 1.00 0.03 H HETATM 2594 H84 MOL A 250 19.151 -4.973 -8.907 1.00 0.03 H HETATM 2595 H81 MOL A 250 19.224 -5.100 -11.368 1.00 0.08 H HETATM 2596 H80 MOL A 250 21.126 -3.386 -9.950 1.00 0.19 H HETATM 2597 CB MOL A 250 23.801 -3.047 -12.385 1.00 -0.00 C HETATM 2598 CG1 MOL A 250 24.974 -2.378 -11.669 1.00 -0.05 C HETATM 2599 CD1 MOL A 250 25.927 -1.655 -12.628 1.00 -0.06 C HETATM 2600 H77 MOL A 250 26.746 -1.196 -12.055 1.00 0.02 H HETATM 2601 H78 MOL A 250 25.377 -0.873 -13.171 1.00 0.02 H HETATM 2602 H79 MOL A 250 26.342 -2.377 -13.346 1.00 0.02 H HETATM 2603 H72 MOL A 250 25.541 -3.150 -11.127 1.00 0.03 H HETATM 2604 H73 MOL A 250 24.575 -1.645 -10.952 1.00 0.03 H HETATM 2605 CG2 MOL A 250 22.816 -2.077 -13.017 1.00 -0.06 C HETATM 2606 H74 MOL A 250 22.009 -2.641 -13.507 1.00 0.02 H HETATM 2607 H75 MOL A 250 23.337 -1.459 -13.763 1.00 0.02 H HETATM 2608 H76 MOL A 250 22.389 -1.429 -12.238 1.00 0.02 H HETATM 2609 H71 MOL A 250 24.223 -3.643 -13.207 1.00 0.03 H HETATM 2610 H70 MOL A 250 23.202 -3.618 -10.398 1.00 0.08 H HETATM 2611 H69 MOL A 250 24.556 -5.423 -12.099 1.00 0.19 H HETATM 2612 CB MOL A 250 23.085 -8.513 -11.940 1.00 -0.01 C HETATM 2613 CG MOL A 250 23.669 -9.651 -12.749 1.00 -0.02 C HETATM 2614 CD MOL A 250 22.536 -10.419 -13.527 1.00 0.06 C HETATM 2615 NE MOL A 250 21.202 -9.857 -13.275 1.00 -0.27 N HETATM 2616 CZ MOL A 250 20.377 -9.364 -14.202 1.00 0.29 C HETATM 2617 NH1 MOL A 250 20.707 -9.376 -15.491 1.00 -0.28 N HETATM 2618 H65 MOL A 250 20.058 -8.991 -16.192 1.00 0.26 H HETATM 2619 H66 MOL A 250 21.611 -9.770 -15.787 1.00 0.26 H HETATM 2620 NH2 MOL A 250 19.204 -8.866 -13.835 1.00 -0.28 N HETATM 2621 H67 MOL A 250 18.939 -8.852 -12.840 1.00 0.26 H HETATM 2622 H68 MOL A 250 18.558 -8.493 -14.545 1.00 0.26 H HETATM 2623 H64 MOL A 250 20.875 -9.842 -12.299 1.00 0.26 H HETATM 2624 H62 MOL A 250 22.541 -11.472 -13.209 1.00 0.07 H HETATM 2625 H63 MOL A 250 22.746 -10.360 -14.605 1.00 0.07 H HETATM 2626 H60 MOL A 250 24.180 -10.351 -12.071 1.00 0.03 H HETATM 2627 H61 MOL A 250 24.393 -9.246 -13.472 1.00 0.03 H HETATM 2628 H58 MOL A 250 22.574 -7.837 -12.641 1.00 0.03 H HETATM 2629 H59 MOL A 250 22.350 -8.944 -11.244 1.00 0.03 H HETATM 2630 H57 MOL A 250 24.968 -7.458 -11.704 1.00 0.08 H HETATM 2631 H56 MOL A 250 24.020 -9.278 -9.720 1.00 0.19 H HETATM 2632 CB MOL A 250 24.448 -8.749 -6.861 1.00 -0.01 C HETATM 2633 CG MOL A 250 24.433 -7.494 -6.093 1.00 -0.04 C HETATM 2634 CD MOL A 250 23.327 -7.535 -5.037 1.00 -0.01 C HETATM 2635 CE MOL A 250 23.533 -8.605 -3.954 1.00 -0.04 C HETATM 2636 NZ MOL A 250 22.459 -8.527 -2.914 1.00 0.22 N HETATM 2637 H53 MOL A 250 22.615 -9.237 -2.216 1.00 0.20 H HETATM 2638 H54 MOL A 250 21.561 -8.674 -3.347 1.00 0.20 H HETATM 2639 H55 MOL A 250 22.478 -7.618 -2.479 1.00 0.20 H HETATM 2640 H51 MOL A 250 24.511 -8.448 -3.474 1.00 0.08 H HETATM 2641 H52 MOL A 250 23.509 -9.600 -4.422 1.00 0.08 H HETATM 2642 H49 MOL A 250 22.372 -7.737 -5.545 1.00 0.03 H HETATM 2643 H50 MOL A 250 23.281 -6.551 -4.546 1.00 0.03 H HETATM 2644 H47 MOL A 250 24.252 -6.652 -6.777 1.00 0.03 H HETATM 2645 H48 MOL A 250 25.405 -7.360 -5.596 1.00 0.03 H HETATM 2646 H45 MOL A 250 24.541 -9.590 -6.158 1.00 0.03 H HETATM 2647 H46 MOL A 250 23.500 -8.835 -7.413 1.00 0.03 H HETATM 2648 H44 MOL A 250 25.640 -9.848 -8.231 1.00 0.08 H HETATM 2649 H43 MOL A 250 27.301 -7.640 -7.247 1.00 0.19 H HETATM 2650 CB MOL A 250 29.948 -9.615 -6.789 1.00 -0.01 C HETATM 2651 CG MOL A 250 30.296 -11.003 -6.442 1.00 -0.03 C HETATM 2652 CD MOL A 250 29.936 -11.243 -5.020 1.00 0.04 C HETATM 2653 H41 MOL A 250 29.541 -12.260 -4.878 1.00 0.05 H HETATM 2654 H42 MOL A 250 30.804 -11.091 -4.361 1.00 0.05 H HETATM 2655 H39 MOL A 250 31.376 -11.160 -6.582 1.00 0.03 H HETATM 2656 H40 MOL A 250 29.738 -11.697 -7.087 1.00 0.03 H HETATM 2657 H37 MOL A 250 30.792 -8.940 -6.586 1.00 0.03 H HETATM 2658 H38 MOL A 250 29.663 -9.538 -7.849 1.00 0.03 H HETATM 2659 H36 MOL A 250 28.792 -8.238 -5.540 1.00 0.08 H HETATM 2660 CB MOL A 250 27.137 -12.589 -3.825 1.00 0.01 C HETATM 2661 CG MOL A 250 25.686 -12.360 -3.587 1.00 -0.01 C HETATM 2662 CD MOL A 250 25.533 -11.541 -2.283 1.00 -0.03 C HETATM 2663 H34 MOL A 250 25.076 -10.560 -2.481 1.00 0.08 H HETATM 2664 H35 MOL A 250 24.929 -12.084 -1.541 1.00 0.08 H HETATM 2665 H32 MOL A 250 25.169 -13.325 -3.483 1.00 0.03 H HETATM 2666 H33 MOL A 250 25.254 -11.801 -4.430 1.00 0.03 H HETATM 2667 H30 MOL A 250 27.427 -13.602 -3.510 1.00 0.03 H HETATM 2668 H31 MOL A 250 27.382 -12.452 -4.888 1.00 0.03 H HETATM 2669 H29 MOL A 250 28.841 -11.857 -2.635 1.00 0.11 H HETATM 2670 H28 MOL A 250 27.097 -10.457 -1.502 1.00 0.21 H HETATM 2671 H1 MOL A 250 25.979 -11.817 -0.056 1.00 0.08 H HETATM 2672 H2 MOL A 250 26.577 -13.236 -0.981 1.00 0.08 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 2510 2511 2564 2671 2672 CONECT 2511 2510 2512 2562 2563 CONECT 2512 2511 2513 2560 2561 CONECT 2513 2512 2514 2529 2559 CONECT 2514 2513 2515 2527 2528 CONECT 2515 2514 2516 2525 2526 CONECT 2516 2515 2517 2521 2524 CONECT 2517 2516 2518 2519 2520 CONECT 2518 2517 CONECT 2519 2517 CONECT 2520 2517 CONECT 2521 2516 2522 2523 CONECT 2522 2521 CONECT 2523 2521 CONECT 2524 2516 CONECT 2525 2515 CONECT 2526 2515 CONECT 2527 2514 CONECT 2528 2514 CONECT 2529 2513 2530 2557 2558 CONECT 2530 2529 2531 2534 2556 CONECT 2531 2530 2532 2553 2555 CONECT 2532 2531 2533 2550 2552 CONECT 2533 2532 2534 2535 2549 CONECT 2534 2530 2533 CONECT 2535 2533 2536 2546 CONECT 2536 2535 2537 2548 CONECT 2537 2536 2538 CONECT 2538 2537 2539 2546 CONECT 2539 2538 2540 2543 CONECT 2540 2539 2541 2542 CONECT 2541 2540 CONECT 2542 2540 CONECT 2543 2539 2544 CONECT 2544 2543 2545 2547 CONECT 2545 2544 2546 CONECT 2546 2535 2538 2545 CONECT 2547 2544 CONECT 2548 2536 CONECT 2549 2533 CONECT 2550 2532 2551 CONECT 2551 2550 CONECT 2552 2532 CONECT 2553 2531 2554 CONECT 2554 2553 CONECT 2555 2531 CONECT 2556 2530 CONECT 2557 2529 CONECT 2558 2529 CONECT 2559 2513 CONECT 2560 2512 CONECT 2561 2512 CONECT 2562 2511 CONECT 2563 2511 CONECT 2564 2510 2565 2662 2670 CONECT 2565 2564 2566 2660 2669 CONECT 2566 2565 2567 2568 CONECT 2567 2566 CONECT 2568 2566 2569 2652 CONECT 2569 2568 2570 2650 2659 CONECT 2570 2569 2571 2572 CONECT 2571 2570 CONECT 2572 2570 2573 2649 CONECT 2573 2572 2574 2632 2648 CONECT 2574 2573 2575 2576 CONECT 2575 2574 CONECT 2576 2574 2577 2631 CONECT 2577 2576 2578 2612 2630 CONECT 2578 2577 2579 2580 CONECT 2579 2578 CONECT 2580 2578 2581 2611 CONECT 2581 2580 2582 2597 2610 CONECT 2582 2581 2583 2584 CONECT 2583 2582 CONECT 2584 2582 2585 2596 CONECT 2585 2584 2586 2591 2595 CONECT 2586 2585 2587 2588 CONECT 2587 2586 CONECT 2588 2586 2589 2590 CONECT 2589 2588 CONECT 2590 2588 CONECT 2591 2585 2592 2593 2594 CONECT 2592 2591 CONECT 2593 2591 CONECT 2594 2591 CONECT 2595 2585 CONECT 2596 2584 CONECT 2597 2581 2598 2605 2609 CONECT 2598 2597 2599 2603 2604 CONECT 2599 2598 2600 2601 2602 CONECT 2600 2599 CONECT 2601 2599 CONECT 2602 2599 CONECT 2603 2598 CONECT 2604 2598 CONECT 2605 2597 2606 2607 2608 CONECT 2606 2605 CONECT 2607 2605 CONECT 2608 2605 CONECT 2609 2597 CONECT 2610 2581 CONECT 2611 2580 CONECT 2612 2577 2613 2628 2629 CONECT 2613 2612 2614 2626 2627 CONECT 2614 2613 2615 2624 2625 CONECT 2615 2614 2616 2623 CONECT 2616 2615 2617 2620 CONECT 2617 2616 2618 2619 CONECT 2618 2617 CONECT 2619 2617 CONECT 2620 2616 2621 2622 CONECT 2621 2620 CONECT 2622 2620 CONECT 2623 2615 CONECT 2624 2614 CONECT 2625 2614 CONECT 2626 2613 CONECT 2627 2613 CONECT 2628 2612 CONECT 2629 2612 CONECT 2630 2577 CONECT 2631 2576 CONECT 2632 2573 2633 2646 2647 CONECT 2633 2632 2634 2644 2645 CONECT 2634 2633 2635 2642 2643 CONECT 2635 2634 2636 2640 2641 CONECT 2636 2635 2637 2638 2639 CONECT 2637 2636 CONECT 2638 2636 CONECT 2639 2636 CONECT 2640 2635 CONECT 2641 2635 CONECT 2642 2634 CONECT 2643 2634 CONECT 2644 2633 CONECT 2645 2633 CONECT 2646 2632 CONECT 2647 2632 CONECT 2648 2573 CONECT 2649 2572 CONECT 2650 2569 2651 2657 2658 CONECT 2651 2650 2652 2655 2656 CONECT 2652 2568 2651 2653 2654 CONECT 2653 2652 CONECT 2654 2652 CONECT 2655 2651 CONECT 2656 2651 CONECT 2657 2650 CONECT 2658 2650 CONECT 2659 2569 CONECT 2660 2565 2661 2667 2668 CONECT 2661 2660 2662 2665 2666 CONECT 2662 2564 2661 2663 2664 CONECT 2663 2662 CONECT 2664 2662 CONECT 2665 2661 CONECT 2666 2661 CONECT 2667 2660 CONECT 2668 2660 CONECT 2669 2565 CONECT 2670 2564 CONECT 2671 2510 CONECT 2672 2510 MASTER 0 0 0 0 0 0 0 0 2671 1 167 18 END
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243aa, >5CVD_1|Chains... *
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1fo0
RCSB PDB
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8-mer
1fzj
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1nlp
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PDBbind
8-mer
1nzl
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1nzv
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8-mer
1obx
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PDBbind
8-mer
1okx
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PDBbind
8-mer
1p2g
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PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
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1qja
RCSB PDB
PDBbind
8-mer
1qjb
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8-mer
1qr3
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PDBbind
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1tps
RCSB PDB
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RCSB PDB
PDBbind
8-mer
2clv
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2er0
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8-mer
2er9
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8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
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2w16
RCSB PDB
PDBbind
8-mer
2w3o
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PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
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PDBbind
8-mer
3agm
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
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3avg
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PDBbind
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3avh
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3avi
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8-mer
3avj
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3avk
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8-mer
3avl
RCSB PDB
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3avm
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PDBbind
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3drf
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PDBbind
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3ds9
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3eyu
RCSB PDB
PDBbind
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3h85
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PDBbind
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3i91
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3jvk
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PDBbind
8-mer
3kze
RCSB PDB
PDBbind
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3muk
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PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
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3p9m
RCSB PDB
PDBbind
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3pab
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3qg6
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3rdv
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3rwh
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3rwj
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4dv9
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4e67
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4ep2
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4eqj
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4ezr
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4fmo
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4fn5
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4gpk
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4gvc
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4h36
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4jiz
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PDBbind
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PDBbind
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8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
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PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
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8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
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PDBbind
8-mer
6fel
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8-mer
6fi4
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PDBbind
8-mer
6fi5
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8-mer
6fmp
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8-mer
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6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
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PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
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6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
6dtn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
N-terminal Xaa-Pro-Lys N-methyltransferase 1
Ligand Name
8-mer
EC.Number
E.C.2.1.1.244
Resolution
1.48(Å)
Affinity (Kd/Ki/IC50)
IC50=158nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Med. Chem. Vol. 62: pp. 3773-3779
Ligand Properties
Formula
C
4
8
H
8
7
N
1
8
O
1
1
Molecular Weight
1092.320
Exact Mass
1091.680
No. of atoms
164
No. of bonds
168
Polar Surface Area
466.58
LOGP Value
-2.64 (
Computed with XLOGP3
)
-4.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 37
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 5
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC[N@H+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)[NH3+])CCCC[NH3+])CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C48H82N18O11/c1-4-26(2)34(44(73)59-27(3)39(52)69)62-42(71)30(12-7-17-55-48(53)54)60-41(70)29(11-5-6-16-49)61-43(72)31-13-9-21-65(31)45(74)32-14-8-19-64(32)20-10-18-63(22-15-28(50)47(75)76)23-33-36(67)37(68)46(77-33)66-25-58-35-38(51)56-24-57-40(35)66/h24-34,36-37,46,67-68H,4-23,49-50H2,1-3H3,(H2,52,69)(H,59,73)(H,60,70)(H,61,72)(H,62,71)(H,75,76)(H2,51,56,57)(H4,53,54,55)/p+5/t26-,27-,28-,29-,30-,31-,32-,33+,34-,36+,37+,46+/m0/s1
Links to External Databases
RCSB PDB
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q9BV86
Entrez Gene ID
NCBI Entrez Gene ID:
28989
ASD
Information of known allosteric effects of PDB entries
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