Browse entries in the PDBbind-CN Database
HEADER 5FCK_COMPLEX COMPND 5FCK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 43 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 43 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 43 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 43 ALA HIS CYS LEU SEQRES 1 A 182 ASP GLY LYS VAL GLN VAL LEU LEU GLY ALA HIS SER LEU SEQRES 2 A 182 SER GLN PRO GLU PRO SER LYS ARG LEU TYR ASP VAL LEU SEQRES 3 A 182 ARG ALA VAL PRO HIS PRO ASP SER GLN PRO ASP THR ILE SEQRES 4 A 182 ASP HIS ASP LEU LEU LEU LEU GLN LEU SER GLU LYS ALA SEQRES 5 A 182 THR LEU GLY PRO ALA VAL ARG PRO LEU PRO TRP GLN ARG SEQRES 6 A 182 VAL ASP ARG ASP VAL ALA PRO GLY THR LEU CYS ASP VAL SEQRES 7 A 182 ALA GLY TRP GLY ILE VAL ASN HIS ALA GLY ARG ARG PRO SEQRES 8 A 182 ASP SER LEU GLN HIS VAL LEU LEU PRO VAL LEU ASP ARG SEQRES 9 A 182 ALA THR CYS ASN ARG ARG THR HIS HIS ASP GLY ALA ILE SEQRES 10 A 182 THR GLU ARG LEU MET CYS ALA GLU SER ASN ARG ARG ASP SEQRES 11 A 182 SER CYS LYS GLY ASP SER GLY GLY PRO LEU VAL CYS GLY SEQRES 12 A 182 GLY VAL LEU GLU GLY VAL VAL THR SER GLY SER ARG VAL SEQRES 13 A 182 CYS GLY ASN ARG LYS LYS PRO GLY ILE TYR THR ARG VAL SEQRES 14 A 182 ALA SER TYR ALA ALA TRP ILE ASP SER VAL LEU ALA SER HET UNN A 315 56 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 7.660 -1.429 7.625 1.00 13.39 N ATOM 2 CA ILE A 16 7.598 -0.096 6.913 1.00 12.95 C ATOM 3 C ILE A 16 8.628 -0.155 5.761 1.00 12.94 C ATOM 4 O ILE A 16 9.797 -0.426 6.003 1.00 11.73 O ATOM 5 CB ILE A 16 8.034 1.058 7.843 1.00 13.53 C ATOM 6 CG1 ILE A 16 7.045 1.290 9.029 1.00 14.28 C ATOM 7 CG2 ILE A 16 8.327 2.306 7.026 1.00 13.26 C ATOM 8 CD1 ILE A 16 5.673 1.760 8.655 1.00 15.02 C ATOM 9 HN3 ILE A 16 8.620 -1.578 7.995 1.00 0.00 H ATOM 10 HN2 ILE A 16 7.423 -2.189 6.956 1.00 0.00 H ATOM 11 HN1 ILE A 16 6.979 -1.433 8.411 1.00 0.00 H ATOM 12 N LEU A 17 8.198 0.065 4.538 1.00 12.94 N ATOM 13 CA LEU A 17 9.098 0.058 3.391 1.00 13.42 C ATOM 14 C LEU A 17 9.595 1.486 3.207 1.00 13.67 C ATOM 15 O LEU A 17 8.823 2.449 3.307 1.00 14.12 O ATOM 16 CB LEU A 17 8.375 -0.450 2.103 1.00 12.81 C ATOM 17 CG LEU A 17 7.917 -1.893 1.993 1.00 13.39 C ATOM 18 CD1 LEU A 17 7.676 -2.262 0.502 1.00 13.23 C ATOM 19 CD2 LEU A 17 8.972 -2.816 2.534 1.00 13.86 C ATOM 20 H LEU A 17 7.186 0.249 4.384 1.00 0.00 H ATOM 21 N GLY A 18 10.890 1.642 2.989 1.00 14.46 N ATOM 22 CA GLY A 18 11.471 2.939 2.628 1.00 16.30 C ATOM 23 C GLY A 18 11.445 4.009 3.700 1.00 17.09 C ATOM 24 O GLY A 18 11.465 5.217 3.420 1.00 19.87 O ATOM 25 H GLY A 18 11.517 0.817 3.077 1.00 0.00 H ATOM 26 N GLY A 19 11.343 3.577 4.938 1.00 16.72 N ATOM 27 CA GLY A 19 11.266 4.488 6.018 1.00 16.99 C ATOM 28 C GLY A 19 12.652 4.664 6.579 1.00 17.24 C ATOM 29 O GLY A 19 13.667 4.303 5.909 1.00 15.67 O ATOM 30 H GLY A 19 11.319 2.554 5.125 1.00 0.00 H ATOM 31 N ARG A 20 12.697 5.221 7.790 1.00 15.59 N ATOM 32 CA ARG A 20 13.946 5.326 8.533 1.00 19.68 C ATOM 33 C ARG A 20 13.725 4.906 9.975 1.00 16.27 C ATOM 34 O ARG A 20 12.585 4.910 10.418 1.00 15.05 O ATOM 35 CB ARG A 20 14.455 6.759 8.445 1.00 23.30 C ATOM 36 CG ARG A 20 15.341 6.869 7.238 1.00 28.44 C ATOM 37 CD ARG A 20 15.656 8.292 6.858 1.00 32.65 C ATOM 38 NE ARG A 20 15.906 9.076 8.031 1.00 32.20 N ATOM 39 CZ ARG A 20 15.634 10.372 8.081 1.00 41.34 C ATOM 40 NH1 ARG A 20 15.113 10.980 7.009 1.00 41.74 N ATOM 41 NH2 ARG A 20 15.867 11.067 9.198 1.00 41.84 N ATOM 42 HE ARG A 20 16.313 8.614 8.869 1.00 0.00 H ATOM 43 HH12 ARG A 20 14.897 11.997 7.042 1.00 0.00 H ATOM 44 HH11 ARG A 20 14.924 10.436 6.143 1.00 0.00 H ATOM 45 HH22 ARG A 20 15.652 12.084 9.232 1.00 0.00 H ATOM 46 HH21 ARG A 20 16.264 10.591 10.033 1.00 0.00 H ATOM 47 H ARG A 20 11.821 5.589 8.213 1.00 0.00 H ATOM 48 N GLU A 21 14.780 4.499 10.706 1.00 14.83 N ATOM 49 CA GLU A 21 14.565 4.202 12.137 1.00 13.55 C ATOM 50 C GLU A 21 13.999 5.428 12.867 1.00 13.19 C ATOM 51 O GLU A 21 14.474 6.591 12.705 1.00 12.41 O ATOM 52 CB GLU A 21 15.822 3.682 12.770 1.00 14.21 C ATOM 53 CG GLU A 21 15.613 3.187 14.154 1.00 14.50 C ATOM 54 CD GLU A 21 16.882 2.547 14.669 1.00 14.84 C ATOM 55 OE1 GLU A 21 17.655 2.030 13.811 1.00 15.33 O ATOM 56 OE2 GLU A 21 17.024 2.559 15.908 1.00 16.03 O ATOM 57 H GLU A 21 15.721 4.397 10.275 1.00 0.00 H ATOM 58 N ALA A 22 12.982 5.186 13.666 1.00 13.99 N ATOM 59 CA ALA A 22 12.323 6.238 14.432 1.00 14.92 C ATOM 60 C ALA A 22 13.275 6.598 15.564 1.00 17.65 C ATOM 61 O ALA A 22 14.156 5.800 15.963 1.00 15.56 O ATOM 62 CB ALA A 22 10.997 5.744 15.015 1.00 15.18 C ATOM 63 H ALA A 22 12.635 4.209 13.755 1.00 0.00 H ATOM 64 N GLU A 23 13.115 7.825 16.040 1.00 18.67 N ATOM 65 CA GLU A 23 13.853 8.298 17.196 1.00 19.53 C ATOM 66 C GLU A 23 13.298 7.443 18.362 1.00 17.36 C ATOM 67 O GLU A 23 12.090 7.241 18.459 1.00 18.50 O ATOM 68 CB GLU A 23 13.629 9.810 17.318 1.00 24.18 C ATOM 69 CG GLU A 23 14.316 10.516 18.483 1.00 30.14 C ATOM 70 CD GLU A 23 13.633 11.825 18.885 1.00 35.97 C ATOM 71 OE1 GLU A 23 13.292 12.633 17.968 1.00 37.94 O ATOM 72 OE2 GLU A 23 13.457 12.055 20.124 1.00 32.86 O ATOM 73 H GLU A 23 12.442 8.466 15.572 1.00 0.00 H ATOM 74 N ALA A 24 14.182 6.853 19.174 1.00 17.78 N ATOM 75 CA ALA A 24 13.739 5.980 20.262 1.00 16.48 C ATOM 76 C ALA A 24 12.762 6.727 21.239 1.00 16.06 C ATOM 77 O ALA A 24 13.013 7.878 21.682 1.00 15.80 O ATOM 78 CB ALA A 24 14.921 5.299 20.976 1.00 16.55 C ATOM 79 H ALA A 24 15.199 7.017 19.030 1.00 0.00 H ATOM 80 N HIS A 25 11.611 6.085 21.495 1.00 14.92 N ATOM 81 CA HIS A 25 10.611 6.538 22.472 1.00 13.73 C ATOM 82 C HIS A 25 10.008 7.889 22.167 1.00 13.81 C ATOM 83 O HIS A 25 9.394 8.478 23.044 1.00 14.49 O ATOM 84 CB HIS A 25 11.238 6.545 23.851 1.00 14.42 C ATOM 85 CG HIS A 25 12.033 5.310 24.078 1.00 14.07 C ATOM 86 ND1 HIS A 25 11.429 4.090 24.169 1.00 14.04 N ATOM 87 CD2 HIS A 25 13.367 5.079 24.092 1.00 15.29 C ATOM 88 CE1 HIS A 25 12.353 3.158 24.302 1.00 14.84 C ATOM 89 NE2 HIS A 25 13.537 3.732 24.269 1.00 13.96 N ATOM 90 H HIS A 25 11.414 5.210 20.968 1.00 0.00 H ATOM 91 N ALA A 26 10.204 8.382 20.944 1.00 12.74 N ATOM 92 CA ALA A 26 9.603 9.639 20.543 1.00 13.91 C ATOM 93 C ALA A 26 8.144 9.486 20.202 1.00 13.96 C ATOM 94 O ALA A 26 7.470 10.501 20.046 1.00 12.57 O ATOM 95 CB ALA A 26 10.339 10.289 19.391 1.00 14.20 C ATOM 96 H ALA A 26 10.796 7.858 20.268 1.00 0.00 H ATOM 97 N ARG A 27 7.654 8.258 20.091 1.00 14.25 N ATOM 98 CA ARG A 27 6.207 8.009 19.895 1.00 15.37 C ATOM 99 C ARG A 27 5.765 7.079 21.017 1.00 14.75 C ATOM 100 O ARG A 27 5.675 5.851 20.848 1.00 14.47 O ATOM 101 CB ARG A 27 5.901 7.343 18.538 1.00 15.38 C ATOM 102 CG ARG A 27 6.370 8.157 17.345 1.00 16.17 C ATOM 103 CD ARG A 27 6.442 7.395 16.048 1.00 16.65 C ATOM 104 NE ARG A 27 6.880 8.311 15.006 1.00 16.78 N ATOM 105 CZ ARG A 27 8.099 8.851 14.890 1.00 16.97 C ATOM 106 NH1 ARG A 27 9.122 8.570 15.735 1.00 17.58 N ATOM 107 NH2 ARG A 27 8.307 9.739 13.940 1.00 17.99 N ATOM 108 HE ARG A 27 6.179 8.571 14.283 1.00 0.00 H ATOM 109 HH12 ARG A 27 10.049 9.020 15.597 1.00 0.00 H ATOM 110 HH11 ARG A 27 8.979 7.905 16.521 1.00 0.00 H ATOM 111 HH22 ARG A 27 9.246 10.173 13.830 1.00 0.00 H ATOM 112 HH21 ARG A 27 7.532 10.007 13.300 1.00 0.00 H ATOM 113 H ARG A 27 8.304 7.448 20.143 1.00 0.00 H ATOM 114 N PRO A 28 5.494 7.648 22.194 1.00 13.93 N ATOM 115 CA PRO A 28 5.305 6.854 23.390 1.00 13.82 C ATOM 116 C PRO A 28 3.989 6.072 23.463 1.00 12.82 C ATOM 117 O PRO A 28 3.765 5.279 24.388 1.00 12.25 O ATOM 118 CB PRO A 28 5.335 7.890 24.488 1.00 14.90 C ATOM 119 CG PRO A 28 4.850 9.125 23.850 1.00 15.71 C ATOM 120 CD PRO A 28 5.376 9.079 22.455 1.00 16.15 C ATOM 121 N TYR A 29 3.140 6.329 22.479 1.00 11.54 N ATOM 122 CA TYR A 29 1.903 5.624 22.227 1.00 12.67 C ATOM 123 C TYR A 29 2.053 4.407 21.358 1.00 12.68 C ATOM 124 O TYR A 29 1.124 3.640 21.261 1.00 11.47 O ATOM 125 CB TYR A 29 0.955 6.577 21.488 1.00 13.07 C ATOM 126 CG TYR A 29 1.568 7.167 20.236 1.00 14.49 C ATOM 127 CD1 TYR A 29 1.554 6.460 19.045 1.00 15.85 C ATOM 128 CD2 TYR A 29 2.255 8.435 20.253 1.00 17.53 C ATOM 129 CE1 TYR A 29 2.086 7.006 17.877 1.00 16.69 C ATOM 130 CE2 TYR A 29 2.776 8.976 19.080 1.00 17.12 C ATOM 131 CZ TYR A 29 2.682 8.231 17.909 1.00 17.19 C ATOM 132 OH TYR A 29 3.202 8.699 16.738 1.00 18.67 O ATOM 133 HH TYR A 29 3.041 8.038 16.019 1.00 0.00 H ATOM 134 H TYR A 29 3.384 7.105 21.832 1.00 0.00 H ATOM 135 N MET A 30 3.225 4.186 20.774 1.00 13.34 N ATOM 136 CA MET A 30 3.436 3.025 19.893 1.00 14.03 C ATOM 137 C MET A 30 3.521 1.719 20.666 1.00 13.75 C ATOM 138 O MET A 30 4.347 1.579 21.597 1.00 14.90 O ATOM 139 CB MET A 30 4.757 3.210 19.110 1.00 14.70 C ATOM 140 CG MET A 30 4.986 2.175 18.022 1.00 16.13 C ATOM 141 SD MET A 30 3.716 2.337 16.749 1.00 14.28 S ATOM 142 CE MET A 30 3.505 0.631 16.238 1.00 16.29 C ATOM 143 H MET A 30 4.010 4.847 20.942 1.00 0.00 H ATOM 144 N ALA A 31 2.729 0.751 20.270 1.00 11.44 N ATOM 145 CA ALA A 31 2.754 -0.558 20.931 1.00 12.63 C ATOM 146 C ALA A 31 3.089 -1.672 19.951 1.00 13.42 C ATOM 147 O ALA A 31 2.705 -1.602 18.786 1.00 12.23 O ATOM 148 CB ALA A 31 1.447 -0.858 21.533 1.00 12.19 C ATOM 149 H ALA A 31 2.075 0.914 19.478 1.00 0.00 H ATOM 150 N SER A 32 3.780 -2.708 20.425 1.00 13.47 N ATOM 151 CA SER A 32 3.910 -3.929 19.618 1.00 13.10 C ATOM 152 C SER A 32 2.940 -4.966 20.226 1.00 13.00 C ATOM 153 O SER A 32 2.982 -5.278 21.440 1.00 14.78 O ATOM 154 CB SER A 32 5.337 -4.499 19.611 1.00 12.89 C ATOM 155 OG SER A 32 5.369 -5.835 19.040 1.00 12.33 O ATOM 156 HG SER A 32 5.038 -5.802 18.108 1.00 0.00 H ATOM 157 H SER A 32 4.226 -2.653 21.363 1.00 0.00 H ATOM 158 N VAL A 33 2.031 -5.396 19.412 1.00 11.54 N ATOM 159 CA VAL A 33 1.109 -6.467 19.733 1.00 12.27 C ATOM 160 C VAL A 33 1.852 -7.735 19.334 1.00 11.86 C ATOM 161 O VAL A 33 2.373 -7.851 18.190 1.00 10.67 O ATOM 162 CB VAL A 33 -0.182 -6.307 18.911 1.00 11.74 C ATOM 163 CG1 VAL A 33 -1.155 -7.404 19.153 1.00 11.72 C ATOM 164 CG2 VAL A 33 -0.841 -4.951 19.234 1.00 12.45 C ATOM 165 H VAL A 33 1.958 -4.949 18.476 1.00 0.00 H ATOM 166 N GLN A 34 1.927 -8.641 20.311 1.00 12.72 N ATOM 167 CA GLN A 34 2.759 -9.826 20.258 1.00 14.39 C ATOM 168 C GLN A 34 1.977 -11.097 20.550 1.00 15.40 C ATOM 169 O GLN A 34 0.925 -11.080 21.219 1.00 14.15 O ATOM 170 CB GLN A 34 3.891 -9.692 21.230 1.00 14.34 C ATOM 171 CG GLN A 34 4.621 -8.395 21.001 1.00 14.88 C ATOM 172 CD GLN A 34 6.027 -8.376 21.513 1.00 17.52 C ATOM 173 OE1 GLN A 34 6.398 -9.128 22.441 1.00 17.30 O ATOM 174 NE2 GLN A 34 6.849 -7.509 20.900 1.00 16.46 N ATOM 175 HE22 GLN A 34 6.490 -6.906 20.133 1.00 0.00 H ATOM 176 HE21 GLN A 34 7.845 -7.441 21.192 1.00 0.00 H ATOM 177 H GLN A 34 1.352 -8.487 21.164 1.00 0.00 H ATOM 178 N LEU A 35 2.502 -12.178 19.996 1.00 16.95 N ATOM 179 CA LEU A 35 1.930 -13.487 20.042 1.00 18.77 C ATOM 180 C LEU A 35 3.100 -14.359 20.411 1.00 22.54 C ATOM 181 O LEU A 35 4.089 -14.474 19.649 1.00 21.15 O ATOM 182 CB LEU A 35 1.375 -13.873 18.689 1.00 20.14 C ATOM 183 CG LEU A 35 0.662 -15.232 18.613 1.00 22.19 C ATOM 184 CD1 LEU A 35 -0.424 -15.377 19.688 1.00 22.43 C ATOM 185 CD2 LEU A 35 0.024 -15.487 17.260 1.00 22.37 C ATOM 186 H LEU A 35 3.402 -12.066 19.487 1.00 0.00 H ATOM 187 N ASN A 36 3.051 -14.906 21.622 1.00 22.60 N ATOM 188 CA ASN A 36 4.146 -15.733 22.072 1.00 25.90 C ATOM 189 C ASN A 36 5.443 -14.969 22.040 1.00 26.61 C ATOM 190 O ASN A 36 6.503 -15.515 21.746 1.00 31.46 O ATOM 191 CB ASN A 36 4.203 -16.997 21.198 1.00 26.76 C ATOM 192 CG ASN A 36 2.985 -17.862 21.387 1.00 28.55 C ATOM 193 OD1 ASN A 36 2.376 -17.831 22.458 1.00 27.70 O ATOM 194 ND2 ASN A 36 2.635 -18.661 20.377 1.00 27.89 N ATOM 195 HD22 ASN A 36 3.181 -18.650 19.492 1.00 0.00 H ATOM 196 HD21 ASN A 36 1.816 -19.294 20.475 1.00 0.00 H ATOM 197 H ASN A 36 2.231 -14.740 22.240 1.00 0.00 H ATOM 198 N GLY A 38 5.351 -13.685 22.364 1.00 24.46 N ATOM 199 CA GLY A 38 6.510 -12.874 22.531 1.00 23.66 C ATOM 200 C GLY A 38 7.175 -12.557 21.218 1.00 21.13 C ATOM 201 O GLY A 38 8.329 -12.158 21.232 1.00 24.93 O ATOM 202 H GLY A 38 4.411 -13.261 22.499 1.00 0.00 H ATOM 203 N ALA A 39 6.462 -12.692 20.107 1.00 17.56 N ATOM 204 CA ALA A 39 7.004 -12.269 18.805 1.00 17.54 C ATOM 205 C ALA A 39 6.050 -11.226 18.243 1.00 16.95 C ATOM 206 O ALA A 39 4.832 -11.346 18.416 1.00 15.77 O ATOM 207 CB ALA A 39 7.117 -13.448 17.866 1.00 19.06 C ATOM 208 H ALA A 39 5.508 -13.102 20.157 1.00 0.00 H ATOM 209 N HIS A 40 6.621 -10.205 17.610 1.00 13.59 N ATOM 210 CA HIS A 40 5.849 -9.111 17.060 1.00 13.76 C ATOM 211 C HIS A 40 4.850 -9.644 16.072 1.00 11.94 C ATOM 212 O HIS A 40 5.197 -10.355 15.163 1.00 11.37 O ATOM 213 CB HIS A 40 6.741 -8.094 16.358 1.00 13.28 C ATOM 214 CG HIS A 40 5.952 -7.001 15.695 1.00 13.36 C ATOM 215 ND1 HIS A 40 5.450 -5.913 16.380 1.00 14.27 N ATOM 216 CD2 HIS A 40 5.541 -6.853 14.407 1.00 14.34 C ATOM 217 CE1 HIS A 40 4.773 -5.139 15.545 1.00 13.67 C ATOM 218 NE2 HIS A 40 4.761 -5.714 14.356 1.00 13.34 N ATOM 219 H HIS A 40 7.656 -10.192 17.507 1.00 0.00 H ATOM 220 N LEU A 41 3.613 -9.244 16.247 1.00 13.34 N ATOM 221 CA LEU A 41 2.501 -9.634 15.373 1.00 12.96 C ATOM 222 C LEU A 41 1.936 -8.427 14.559 1.00 12.62 C ATOM 223 O LEU A 41 1.801 -8.507 13.344 1.00 11.77 O ATOM 224 CB LEU A 41 1.422 -10.257 16.266 1.00 15.19 C ATOM 225 CG LEU A 41 0.029 -10.674 15.752 1.00 18.43 C ATOM 226 CD1 LEU A 41 0.108 -11.782 14.706 1.00 18.02 C ATOM 227 CD2 LEU A 41 -0.765 -11.142 16.976 1.00 19.56 C ATOM 228 H LEU A 41 3.409 -8.615 17.050 1.00 0.00 H ATOM 229 N CYS A 42 1.676 -7.300 15.243 1.00 12.12 N ATOM 230 CA CYS A 42 1.076 -6.077 14.657 1.00 12.03 C ATOM 231 C CYS A 42 1.484 -4.851 15.447 1.00 11.46 C ATOM 232 O CYS A 42 1.818 -4.931 16.653 1.00 12.92 O ATOM 233 CB CYS A 42 -0.456 -6.148 14.753 1.00 11.85 C ATOM 234 SG CYS A 42 -1.236 -7.228 13.553 1.00 14.11 S ATOM 235 H CYS A 42 1.912 -7.284 16.256 1.00 0.00 H ATOM 236 N GLY A 43 1.402 -3.694 14.823 1.00 12.89 N ATOM 237 CA GLY A 43 1.466 -2.468 15.569 1.00 11.59 C ATOM 238 C GLY A 43 0.179 -2.349 16.405 1.00 12.95 C ATOM 239 O GLY A 43 -0.807 -3.103 16.207 1.00 11.52 O ATOM 240 H GLY A 43 1.291 -3.668 13.789 1.00 0.00 H ATOM 241 N GLY A 44 0.226 -1.381 17.312 1.00 12.56 N ATOM 242 CA GLY A 44 -0.919 -0.910 18.058 1.00 12.47 C ATOM 243 C GLY A 44 -0.648 0.460 18.554 1.00 12.83 C ATOM 244 O GLY A 44 0.505 0.966 18.449 1.00 14.28 O ATOM 245 H GLY A 44 1.146 -0.933 17.498 1.00 0.00 H ATOM 246 N VAL A 45 -1.678 1.081 19.144 1.00 13.25 N ATOM 247 CA VAL A 45 -1.568 2.416 19.652 1.00 13.66 C ATOM 248 C VAL A 45 -2.260 2.516 20.983 1.00 12.75 C ATOM 249 O VAL A 45 -3.422 2.174 21.123 1.00 13.24 O ATOM 250 CB VAL A 45 -2.223 3.421 18.642 1.00 16.11 C ATOM 251 CG1 VAL A 45 -3.616 2.991 18.274 1.00 18.97 C ATOM 252 CG2 VAL A 45 -2.222 4.831 19.177 1.00 15.72 C ATOM 253 H VAL A 45 -2.584 0.579 19.236 1.00 0.00 H ATOM 254 N LEU A 46 -1.525 2.963 21.979 1.00 12.39 N ATOM 255 CA LEU A 46 -2.117 3.175 23.289 1.00 12.68 C ATOM 256 C LEU A 46 -3.114 4.360 23.198 1.00 12.54 C ATOM 257 O LEU A 46 -2.702 5.492 22.907 1.00 12.21 O ATOM 258 CB LEU A 46 -1.035 3.438 24.283 1.00 13.65 C ATOM 259 CG LEU A 46 -1.588 3.469 25.711 1.00 14.32 C ATOM 260 CD1 LEU A 46 -2.063 2.102 26.160 1.00 13.90 C ATOM 261 CD2 LEU A 46 -0.493 4.006 26.595 1.00 15.15 C ATOM 262 H LEU A 46 -0.516 3.165 21.828 1.00 0.00 H ATOM 263 N VAL A 47 -4.396 4.063 23.365 1.00 12.08 N ATOM 264 CA VAL A 47 -5.425 5.095 23.331 1.00 14.22 C ATOM 265 C VAL A 47 -6.058 5.404 24.680 1.00 15.48 C ATOM 266 O VAL A 47 -6.751 6.438 24.825 1.00 14.69 O ATOM 267 CB VAL A 47 -6.502 4.813 22.293 1.00 13.60 C ATOM 268 CG1 VAL A 47 -5.861 4.782 20.920 1.00 14.42 C ATOM 269 CG2 VAL A 47 -7.239 3.523 22.569 1.00 14.07 C ATOM 270 H VAL A 47 -4.673 3.073 23.524 1.00 0.00 H ATOM 271 N ALA A 48 -5.780 4.573 25.670 1.00 17.10 N ATOM 272 CA ALA A 48 -6.257 4.860 27.028 1.00 18.00 C ATOM 273 C ALA A 48 -5.297 4.164 27.970 1.00 17.23 C ATOM 274 O ALA A 48 -4.415 3.422 27.532 1.00 16.43 O ATOM 275 CB ALA A 48 -7.680 4.340 27.188 1.00 19.23 C ATOM 276 H ALA A 48 -5.222 3.715 25.486 1.00 0.00 H ATOM 277 N GLU A 49 -5.451 4.381 29.259 1.00 18.08 N ATOM 278 CA GLU A 49 -4.531 3.813 30.211 1.00 20.19 C ATOM 279 C GLU A 49 -4.457 2.321 30.067 1.00 15.98 C ATOM 280 O GLU A 49 -3.418 1.700 30.277 1.00 16.01 O ATOM 281 CB GLU A 49 -4.966 4.180 31.618 1.00 25.26 C ATOM 282 CG GLU A 49 -5.213 5.680 31.734 1.00 31.95 C ATOM 283 CD GLU A 49 -4.715 6.257 33.015 1.00 34.88 C ATOM 284 OE1 GLU A 49 -4.160 5.468 33.824 1.00 34.33 O ATOM 285 OE2 GLU A 49 -4.878 7.495 33.174 1.00 39.37 O ATOM 286 H GLU A 49 -6.243 4.967 29.593 1.00 0.00 H ATOM 287 N GLN A 50 -5.577 1.721 29.732 1.00 15.90 N ATOM 288 CA GLN A 50 -5.691 0.282 29.844 1.00 16.23 C ATOM 289 C GLN A 50 -6.049 -0.310 28.513 1.00 16.51 C ATOM 290 O GLN A 50 -6.392 -1.468 28.425 1.00 16.59 O ATOM 291 CB GLN A 50 -6.725 -0.075 30.933 1.00 18.62 C ATOM 292 CG GLN A 50 -6.598 -1.540 31.375 1.00 20.48 C ATOM 293 CD GLN A 50 -7.573 -1.973 32.501 1.00 24.06 C ATOM 294 OE1 GLN A 50 -8.432 -1.191 32.971 1.00 22.39 O ATOM 295 NE2 GLN A 50 -7.460 -3.244 32.897 1.00 21.73 N ATOM 296 HE22 GLN A 50 -6.731 -3.856 32.478 1.00 0.00 H ATOM 297 HE21 GLN A 50 -8.101 -3.621 33.624 1.00 0.00 H ATOM 298 H GLN A 50 -6.383 2.280 29.386 1.00 0.00 H ATOM 299 N TRP A 51 -5.971 0.501 27.439 1.00 16.61 N ATOM 300 CA TRP A 51 -6.431 0.036 26.136 1.00 14.42 C ATOM 301 C TRP A 51 -5.494 0.373 24.992 1.00 12.89 C ATOM 302 O TRP A 51 -4.994 1.519 24.853 1.00 11.52 O ATOM 303 CB TRP A 51 -7.767 0.670 25.866 1.00 14.87 C ATOM 304 CG TRP A 51 -8.858 0.113 26.715 1.00 14.75 C ATOM 305 CD1 TRP A 51 -9.332 0.653 27.880 1.00 14.53 C ATOM 306 CD2 TRP A 51 -9.636 -1.009 26.446 1.00 14.25 C ATOM 307 NE1 TRP A 51 -10.369 -0.072 28.348 1.00 14.62 N ATOM 308 CE2 TRP A 51 -10.586 -1.115 27.495 1.00 15.02 C ATOM 309 CE3 TRP A 51 -9.655 -1.960 25.432 1.00 14.65 C ATOM 310 CZ2 TRP A 51 -11.518 -2.121 27.539 1.00 13.94 C ATOM 311 CZ3 TRP A 51 -10.602 -2.995 25.494 1.00 14.86 C ATOM 312 CH2 TRP A 51 -11.507 -3.057 26.555 1.00 14.19 C ATOM 313 HE1 TRP A 51 -10.911 0.130 29.212 1.00 0.00 H ATOM 314 H TRP A 51 -5.582 1.460 27.540 1.00 0.00 H ATOM 315 N VAL A 52 -5.279 -0.625 24.143 1.00 12.87 N ATOM 316 CA VAL A 52 -4.493 -0.490 22.909 1.00 11.37 C ATOM 317 C VAL A 52 -5.410 -0.775 21.725 1.00 12.10 C ATOM 318 O VAL A 52 -6.129 -1.771 21.695 1.00 14.00 O ATOM 319 CB VAL A 52 -3.266 -1.416 22.950 1.00 10.57 C ATOM 320 CG1 VAL A 52 -2.642 -1.501 21.576 1.00 10.82 C ATOM 321 CG2 VAL A 52 -2.259 -0.956 24.015 1.00 10.72 C ATOM 322 H VAL A 52 -5.690 -1.554 24.364 1.00 0.00 H ATOM 323 N LEU A 53 -5.406 0.125 20.753 1.00 11.44 N ATOM 324 CA LEU A 53 -6.198 -0.046 19.567 1.00 11.07 C ATOM 325 C LEU A 53 -5.257 -0.636 18.468 1.00 11.27 C ATOM 326 O LEU A 53 -4.098 -0.261 18.401 1.00 10.99 O ATOM 327 CB LEU A 53 -6.772 1.328 19.164 1.00 10.86 C ATOM 328 CG LEU A 53 -7.634 1.425 17.909 1.00 10.67 C ATOM 329 CD1 LEU A 53 -8.977 0.710 18.043 1.00 10.58 C ATOM 330 CD2 LEU A 53 -7.959 2.851 17.490 1.00 10.82 C ATOM 331 H LEU A 53 -4.815 0.975 20.851 1.00 0.00 H ATOM 332 N SER A 54 -5.771 -1.567 17.655 1.00 10.46 N ATOM 333 CA SER A 54 -4.976 -2.217 16.620 1.00 10.43 C ATOM 334 C SER A 54 -5.997 -2.598 15.539 1.00 10.08 C ATOM 335 O SER A 54 -7.031 -2.027 15.502 1.00 9.61 O ATOM 336 CB SER A 54 -4.253 -3.457 17.174 1.00 9.81 C ATOM 337 OG SER A 54 -3.282 -3.993 16.286 1.00 9.08 O ATOM 338 HG SER A 54 -2.593 -3.307 16.099 1.00 0.00 H ATOM 339 H SER A 54 -6.770 -1.835 17.765 1.00 0.00 H ATOM 340 N ALA A 55 -5.717 -3.648 14.802 1.00 10.72 N ATOM 341 CA ALA A 55 -6.488 -4.039 13.651 1.00 10.35 C ATOM 342 C ALA A 55 -7.072 -5.406 13.845 1.00 11.80 C ATOM 343 O ALA A 55 -6.423 -6.344 14.431 1.00 11.43 O ATOM 344 CB ALA A 55 -5.654 -3.964 12.378 1.00 10.63 C ATOM 345 H ALA A 55 -4.894 -4.228 15.064 1.00 0.00 H ATOM 346 N ALA A 56 -8.288 -5.545 13.343 1.00 11.89 N ATOM 347 CA ALA A 56 -9.098 -6.715 13.578 1.00 15.29 C ATOM 348 C ALA A 56 -8.387 -8.020 13.213 1.00 16.33 C ATOM 349 O ALA A 56 -8.479 -8.969 13.973 1.00 19.83 O ATOM 350 CB ALA A 56 -10.385 -6.619 12.828 1.00 14.60 C ATOM 351 H ALA A 56 -8.676 -4.780 12.755 1.00 0.00 H ATOM 352 N HIS A 57 -7.686 -8.085 12.075 1.00 16.89 N ATOM 353 CA HIS A 57 -7.187 -9.372 11.608 1.00 17.99 C ATOM 354 C HIS A 57 -5.908 -9.788 12.267 1.00 16.97 C ATOM 355 O HIS A 57 -5.402 -10.885 12.015 1.00 15.45 O ATOM 356 CB HIS A 57 -7.008 -9.381 10.102 1.00 19.66 C ATOM 357 CG HIS A 57 -8.286 -9.188 9.357 1.00 24.08 C ATOM 358 ND1 HIS A 57 -8.644 -7.984 8.805 1.00 26.52 N ATOM 359 CD2 HIS A 57 -9.285 -10.046 9.068 1.00 26.99 C ATOM 360 CE1 HIS A 57 -9.802 -8.103 8.196 1.00 28.12 C ATOM 361 NE2 HIS A 57 -10.216 -9.344 8.339 1.00 30.07 N ATOM 362 H HIS A 57 -7.498 -7.221 11.527 1.00 0.00 H ATOM 363 N CYS A 58 -5.361 -8.908 13.095 1.00 18.32 N ATOM 364 CA CYS A 58 -4.184 -9.252 13.846 1.00 20.01 C ATOM 365 C CYS A 58 -4.394 -10.542 14.667 1.00 21.71 C ATOM 366 O CYS A 58 -3.448 -11.326 14.846 1.00 21.74 O ATOM 367 CB CYS A 58 -3.801 -8.124 14.770 1.00 17.33 C ATOM 368 SG CYS A 58 -3.203 -6.735 13.819 1.00 13.88 S ATOM 369 H CYS A 58 -5.785 -7.965 13.202 1.00 0.00 H ATOM 370 N LEU A 59 -5.595 -10.742 15.198 1.00 22.48 N ATOM 371 CA LEU A 59 -5.818 -11.937 16.033 1.00 26.74 C ATOM 372 C LEU A 59 -6.473 -13.096 15.280 1.00 29.95 C ATOM 373 O LEU A 59 -6.752 -14.148 15.904 1.00 27.69 O ATOM 374 CB LEU A 59 -6.631 -11.582 17.289 1.00 27.96 C ATOM 375 CG LEU A 59 -5.902 -10.869 18.449 1.00 27.11 C ATOM 376 CD1 LEU A 59 -6.651 -11.151 19.759 1.00 25.98 C ATOM 377 CD2 LEU A 59 -4.447 -11.298 18.601 1.00 26.52 C ATOM 378 H LEU A 59 -6.367 -10.066 15.027 1.00 0.00 H TER 379 LEU A 59 ATOM 380 N ASP A 61C -5.731 -19.618 19.813 1.00 38.31 N ATOM 381 CA ASP A 61C -5.756 -19.237 21.214 1.00 41.06 C ATOM 382 C ASP A 61C -4.293 -19.029 21.770 1.00 40.83 C ATOM 383 O ASP A 61C -3.999 -19.338 22.924 1.00 28.53 O ATOM 384 CB ASP A 61C -6.642 -20.246 22.035 1.00 43.45 C ATOM 385 CG ASP A 61C -8.179 -20.195 21.634 1.00 47.01 C ATOM 386 OD1 ASP A 61C -8.856 -21.271 21.348 1.00 42.24 O ATOM 387 OD2 ASP A 61C -8.734 -19.053 21.605 1.00 48.81 O ATOM 388 HN3 ASP A 61C -5.203 -20.508 19.706 1.00 0.00 H ATOM 389 HN2 ASP A 61C -5.267 -18.870 19.260 1.00 0.00 H ATOM 390 HN1 ASP A 61C -6.705 -19.748 19.473 1.00 0.00 H ATOM 391 N GLY A 62 -3.395 -18.450 20.949 1.00 40.19 N ATOM 392 CA GLY A 62 -1.977 -18.146 21.385 1.00 38.72 C ATOM 393 C GLY A 62 -1.931 -17.034 22.443 1.00 29.58 C ATOM 394 O GLY A 62 -2.961 -16.402 22.686 1.00 34.79 O ATOM 395 H GLY A 62 -3.686 -18.203 19.982 1.00 0.00 H ATOM 396 N LYS A 63 -0.785 -16.808 23.095 1.00 26.34 N ATOM 397 CA LYS A 63 -0.696 -15.760 24.150 1.00 24.44 C ATOM 398 C LYS A 63 -0.424 -14.398 23.556 1.00 22.93 C ATOM 399 O LYS A 63 0.663 -14.140 22.993 1.00 23.55 O ATOM 400 CB LYS A 63 0.369 -16.069 25.180 1.00 26.04 C ATOM 401 CG LYS A 63 0.369 -15.163 26.389 1.00 27.63 C ATOM 402 CD LYS A 63 1.649 -15.394 27.207 1.00 30.71 C ATOM 403 CE LYS A 63 1.748 -14.552 28.471 1.00 32.27 C ATOM 404 NZ LYS A 63 0.694 -13.501 28.537 1.00 37.13 N ATOM 405 HZ1 LYS A 63 0.788 -12.866 27.719 1.00 0.00 H ATOM 406 HZ2 LYS A 63 -0.244 -13.951 28.522 1.00 0.00 H ATOM 407 HZ3 LYS A 63 0.805 -12.956 29.416 1.00 0.00 H ATOM 408 H LYS A 63 0.057 -17.373 22.862 1.00 0.00 H ATOM 409 N VAL A 64 -1.393 -13.506 23.715 1.00 20.72 N ATOM 410 CA VAL A 64 -1.306 -12.197 23.113 1.00 19.40 C ATOM 411 C VAL A 64 -0.890 -11.234 24.187 1.00 20.21 C ATOM 412 O VAL A 64 -1.515 -11.183 25.247 1.00 22.18 O ATOM 413 CB VAL A 64 -2.642 -11.703 22.551 1.00 19.53 C ATOM 414 CG1 VAL A 64 -2.463 -10.255 22.037 1.00 18.72 C ATOM 415 CG2 VAL A 64 -3.114 -12.618 21.428 1.00 19.07 C ATOM 416 H VAL A 64 -2.229 -13.754 24.282 1.00 0.00 H ATOM 417 N GLN A 65 0.146 -10.464 23.904 1.00 17.83 N ATOM 418 CA GLN A 65 0.634 -9.441 24.809 1.00 18.04 C ATOM 419 C GLN A 65 0.767 -8.117 24.112 1.00 16.70 C ATOM 420 O GLN A 65 0.795 -8.038 22.853 1.00 16.40 O ATOM 421 CB GLN A 65 1.990 -9.877 25.402 1.00 18.24 C ATOM 422 CG GLN A 65 1.799 -10.930 26.482 1.00 19.95 C ATOM 423 CD GLN A 65 3.071 -11.665 26.810 1.00 21.99 C ATOM 424 OE1 GLN A 65 3.729 -12.158 25.933 1.00 22.96 O ATOM 425 NE2 GLN A 65 3.413 -11.736 28.085 1.00 24.30 N ATOM 426 HE22 GLN A 65 2.812 -11.294 28.810 1.00 0.00 H ATOM 427 HE21 GLN A 65 4.283 -12.234 28.363 1.00 0.00 H ATOM 428 H GLN A 65 0.632 -10.597 22.994 1.00 0.00 H ATOM 429 N VAL A 66 0.882 -7.065 24.928 1.00 14.74 N ATOM 430 CA VAL A 66 1.310 -5.773 24.385 1.00 15.57 C ATOM 431 C VAL A 66 2.551 -5.215 25.050 1.00 14.29 C ATOM 432 O VAL A 66 2.629 -5.073 26.290 1.00 13.45 O ATOM 433 CB VAL A 66 0.207 -4.717 24.433 1.00 15.42 C ATOM 434 CG1 VAL A 66 0.691 -3.445 23.720 1.00 16.86 C ATOM 435 CG2 VAL A 66 -1.071 -5.256 23.796 1.00 14.71 C ATOM 436 H VAL A 66 0.669 -7.163 25.941 1.00 0.00 H ATOM 437 N LEU A 67 3.517 -4.945 24.180 1.00 14.65 N ATOM 438 CA LEU A 67 4.770 -4.296 24.534 1.00 17.08 C ATOM 439 C LEU A 67 4.696 -2.786 24.341 1.00 16.54 C ATOM 440 O LEU A 67 4.564 -2.292 23.225 1.00 16.51 O ATOM 441 CB LEU A 67 5.893 -4.883 23.707 1.00 17.98 C ATOM 442 CG LEU A 67 7.315 -4.458 24.105 1.00 18.40 C ATOM 443 CD1 LEU A 67 7.716 -4.868 25.540 1.00 19.17 C ATOM 444 CD2 LEU A 67 8.218 -5.106 23.072 1.00 21.58 C ATOM 445 H LEU A 67 3.369 -5.213 23.186 1.00 0.00 H ATOM 446 N LEU A 68 4.866 -2.073 25.451 1.00 15.60 N ATOM 447 CA LEU A 68 4.914 -0.635 25.488 1.00 15.48 C ATOM 448 C LEU A 68 6.267 -0.152 25.883 1.00 14.92 C ATOM 449 O LEU A 68 7.118 -0.938 26.386 1.00 17.72 O ATOM 450 CB LEU A 68 3.817 -0.081 26.426 1.00 16.68 C ATOM 451 CG LEU A 68 2.420 -0.590 26.097 1.00 15.57 C ATOM 452 CD1 LEU A 68 1.495 -0.076 27.203 1.00 15.19 C ATOM 453 CD2 LEU A 68 2.095 -0.104 24.693 1.00 16.42 C ATOM 454 H LEU A 68 4.971 -2.587 26.349 1.00 0.00 H ATOM 455 N GLY A 69 6.500 1.120 25.557 1.00 14.23 N ATOM 456 CA GLY A 69 7.769 1.785 25.864 1.00 14.86 C ATOM 457 C GLY A 69 8.961 1.258 25.090 1.00 13.69 C ATOM 458 O GLY A 69 10.092 1.518 25.454 1.00 16.49 O ATOM 459 H GLY A 69 5.756 1.658 25.068 1.00 0.00 H ATOM 460 N ALA A 70 8.719 0.589 23.976 1.00 12.23 N ATOM 461 CA ALA A 70 9.810 -0.090 23.242 1.00 12.29 C ATOM 462 C ALA A 70 10.297 0.687 22.043 1.00 12.47 C ATOM 463 O ALA A 70 9.569 1.464 21.440 1.00 12.14 O ATOM 464 CB ALA A 70 9.381 -1.470 22.771 1.00 11.85 C ATOM 465 H ALA A 70 7.747 0.539 23.610 1.00 0.00 H ATOM 466 N HIS A 71 11.555 0.456 21.749 1.00 12.09 N ATOM 467 CA HIS A 71 12.130 0.799 20.472 1.00 12.51 C ATOM 468 C HIS A 71 12.637 -0.462 19.777 1.00 13.33 C ATOM 469 O HIS A 71 12.145 -0.884 18.701 1.00 13.11 O ATOM 470 CB HIS A 71 13.242 1.820 20.698 1.00 12.43 C ATOM 471 CG HIS A 71 13.752 2.361 19.417 1.00 12.01 C ATOM 472 ND1 HIS A 71 12.923 3.018 18.551 1.00 13.00 N ATOM 473 CD2 HIS A 71 14.946 2.249 18.796 1.00 12.28 C ATOM 474 CE1 HIS A 71 13.606 3.385 17.483 1.00 12.36 C ATOM 475 NE2 HIS A 71 14.826 2.902 17.593 1.00 12.91 N ATOM 476 H HIS A 71 12.161 0.008 22.465 1.00 0.00 H ATOM 477 N SER A 72 13.549 -1.159 20.477 1.00 14.47 N ATOM 478 CA SER A 72 13.995 -2.493 20.085 1.00 13.47 C ATOM 479 C SER A 72 13.039 -3.567 20.625 1.00 15.27 C ATOM 480 O SER A 72 12.683 -3.531 21.782 1.00 15.52 O ATOM 481 CB SER A 72 15.417 -2.746 20.656 1.00 15.06 C ATOM 482 OG SER A 72 15.843 -4.092 20.473 1.00 14.57 O ATOM 483 HG SER A 72 15.859 -4.303 19.506 1.00 0.00 H ATOM 484 H SER A 72 13.954 -0.730 21.334 1.00 0.00 H ATOM 485 N LEU A 73 12.680 -4.542 19.813 1.00 15.15 N ATOM 486 CA LEU A 73 11.935 -5.674 20.273 1.00 17.23 C ATOM 487 C LEU A 73 12.753 -6.569 21.196 1.00 18.96 C ATOM 488 O LEU A 73 12.244 -7.038 22.219 1.00 18.92 O ATOM 489 CB LEU A 73 11.435 -6.464 19.108 1.00 19.44 C ATOM 490 CG LEU A 73 10.499 -5.688 18.176 1.00 18.27 C ATOM 491 CD1 LEU A 73 10.192 -6.523 16.942 1.00 19.59 C ATOM 492 CD2 LEU A 73 9.170 -5.284 18.830 1.00 20.48 C ATOM 493 H LEU A 73 12.946 -4.487 18.809 1.00 0.00 H ATOM 494 N SER A 74 14.022 -6.733 20.865 1.00 18.85 N ATOM 495 CA SER A 74 14.911 -7.708 21.517 1.00 18.82 C ATOM 496 C SER A 74 15.703 -7.197 22.718 1.00 18.77 C ATOM 497 O SER A 74 16.033 -7.991 23.596 1.00 18.20 O ATOM 498 CB SER A 74 15.904 -8.239 20.475 1.00 19.46 C ATOM 499 OG SER A 74 16.850 -7.264 20.105 1.00 16.93 O ATOM 500 HG SER A 74 16.382 -6.482 19.718 1.00 0.00 H ATOM 501 H SER A 74 14.413 -6.142 20.104 1.00 0.00 H ATOM 502 N GLN A 75 16.060 -5.916 22.729 1.00 17.63 N ATOM 503 CA GLN A 75 17.012 -5.393 23.672 1.00 19.38 C ATOM 504 C GLN A 75 16.325 -4.882 24.931 1.00 19.27 C ATOM 505 O GLN A 75 15.233 -4.385 24.872 1.00 15.42 O ATOM 506 CB GLN A 75 17.851 -4.295 23.011 1.00 19.69 C ATOM 507 CG GLN A 75 18.483 -4.812 21.717 1.00 20.75 C ATOM 508 CD GLN A 75 19.525 -3.880 21.161 1.00 19.57 C ATOM 509 OE1 GLN A 75 20.506 -4.338 20.587 1.00 22.01 O ATOM 510 NE2 GLN A 75 19.302 -2.556 21.300 1.00 19.55 N ATOM 511 HE22 GLN A 75 18.452 -2.221 21.797 1.00 0.00 H ATOM 512 HE21 GLN A 75 19.980 -1.871 20.910 1.00 0.00 H ATOM 513 H GLN A 75 15.637 -5.270 22.032 1.00 0.00 H ATOM 514 N PRO A 76 16.986 -5.007 26.086 1.00 22.22 N ATOM 515 CA PRO A 76 16.453 -4.420 27.326 1.00 23.74 C ATOM 516 C PRO A 76 16.426 -2.910 27.259 1.00 23.44 C ATOM 517 O PRO A 76 17.422 -2.256 26.857 1.00 23.81 O ATOM 518 CB PRO A 76 17.437 -4.885 28.405 1.00 26.39 C ATOM 519 CG PRO A 76 17.976 -6.167 27.846 1.00 26.42 C ATOM 520 CD PRO A 76 18.092 -5.941 26.356 1.00 26.15 C ATOM 521 N GLU A 77 15.275 -2.349 27.559 1.00 20.71 N ATOM 522 CA GLU A 77 15.175 -0.908 27.659 1.00 23.00 C ATOM 523 C GLU A 77 14.392 -0.599 28.925 1.00 25.44 C ATOM 524 O GLU A 77 13.397 -1.275 29.221 1.00 23.25 O ATOM 525 CB GLU A 77 14.528 -0.319 26.400 1.00 21.50 C ATOM 526 CG GLU A 77 15.199 -0.761 25.093 1.00 21.23 C ATOM 527 CD GLU A 77 14.397 -0.325 23.872 1.00 21.06 C ATOM 528 OE1 GLU A 77 13.183 -0.110 24.030 1.00 20.92 O ATOM 529 OE2 GLU A 77 14.961 -0.163 22.780 1.00 21.29 O ATOM 530 H GLU A 77 14.436 -2.941 27.725 1.00 0.00 H ATOM 531 N PRO A 78 14.843 0.422 29.686 1.00 28.02 N ATOM 532 CA PRO A 78 14.239 0.687 30.978 1.00 27.26 C ATOM 533 C PRO A 78 12.729 0.906 30.893 1.00 24.90 C ATOM 534 O PRO A 78 11.984 0.469 31.792 1.00 23.15 O ATOM 535 CB PRO A 78 14.901 2.016 31.440 1.00 30.55 C ATOM 536 CG PRO A 78 15.932 2.375 30.425 1.00 30.19 C ATOM 537 CD PRO A 78 15.673 1.540 29.199 1.00 30.90 C ATOM 538 N SER A 79 12.315 1.641 29.861 1.00 20.76 N ATOM 539 CA SER A 79 10.925 1.924 29.611 1.00 21.25 C ATOM 540 C SER A 79 10.104 0.723 29.133 1.00 21.33 C ATOM 541 O SER A 79 8.882 0.802 29.123 1.00 22.47 O ATOM 542 CB SER A 79 10.819 3.014 28.558 1.00 22.42 C ATOM 543 OG SER A 79 11.606 2.709 27.403 1.00 22.79 O ATOM 544 HG SER A 79 11.291 1.858 27.006 1.00 0.00 H ATOM 545 H SER A 79 13.026 2.027 29.208 1.00 0.00 H ATOM 546 N LYS A 80 10.741 -0.391 28.769 1.00 21.31 N ATOM 547 CA LYS A 80 10.012 -1.471 28.090 1.00 21.60 C ATOM 548 C LYS A 80 9.203 -2.230 29.108 1.00 23.23 C ATOM 549 O LYS A 80 9.755 -2.696 30.149 1.00 22.60 O ATOM 550 CB LYS A 80 10.941 -2.472 27.343 1.00 22.15 C ATOM 551 CG LYS A 80 11.171 -2.132 25.869 1.00 24.48 C ATOM 552 CD LYS A 80 12.228 -2.978 25.129 1.00 21.55 C ATOM 553 CE LYS A 80 11.814 -4.421 24.944 1.00 20.22 C ATOM 554 NZ LYS A 80 12.745 -5.240 24.080 1.00 18.69 N ATOM 555 HZ1 LYS A 80 12.797 -4.818 23.131 1.00 0.00 H ATOM 556 HZ2 LYS A 80 13.693 -5.251 24.508 1.00 0.00 H ATOM 557 HZ3 LYS A 80 12.384 -6.213 24.009 1.00 0.00 H ATOM 558 H LYS A 80 11.757 -0.495 28.966 1.00 0.00 H ATOM 559 N ARG A 81 7.919 -2.406 28.828 1.00 22.18 N ATOM 560 CA ARG A 81 7.091 -3.281 29.657 1.00 25.13 C ATOM 561 C ARG A 81 6.063 -4.031 28.836 1.00 21.37 C ATOM 562 O ARG A 81 5.328 -3.455 28.047 1.00 19.74 O ATOM 563 CB ARG A 81 6.378 -2.508 30.783 1.00 28.24 C ATOM 564 CG ARG A 81 5.776 -3.450 31.828 1.00 34.17 C ATOM 565 CD ARG A 81 5.125 -2.752 33.019 1.00 39.03 C ATOM 566 NE ARG A 81 4.371 -3.734 33.812 1.00 42.28 N ATOM 567 CZ ARG A 81 3.318 -3.472 34.587 1.00 42.47 C ATOM 568 NH1 ARG A 81 2.833 -2.246 34.723 1.00 45.92 N ATOM 569 NH2 ARG A 81 2.746 -4.457 35.244 1.00 41.76 N ATOM 570 HE ARG A 81 4.688 -4.723 33.764 1.00 0.00 H ATOM 571 HH12 ARG A 81 2.010 -2.077 35.336 1.00 0.00 H ATOM 572 HH11 ARG A 81 3.275 -1.453 34.217 1.00 0.00 H ATOM 573 HH22 ARG A 81 1.924 -4.268 35.852 1.00 0.00 H ATOM 574 HH21 ARG A 81 3.116 -5.425 35.155 1.00 0.00 H ATOM 575 H ARG A 81 7.497 -1.918 28.012 1.00 0.00 H ATOM 576 N LEU A 82 6.021 -5.320 29.073 1.00 19.81 N ATOM 577 CA LEU A 82 5.137 -6.215 28.377 1.00 19.62 C ATOM 578 C LEU A 82 3.941 -6.450 29.289 1.00 19.98 C ATOM 579 O LEU A 82 4.098 -6.708 30.511 1.00 19.34 O ATOM 580 CB LEU A 82 5.878 -7.502 28.082 1.00 22.10 C ATOM 581 CG LEU A 82 5.238 -8.539 27.172 1.00 22.93 C ATOM 582 CD1 LEU A 82 5.031 -7.952 25.806 1.00 22.23 C ATOM 583 CD2 LEU A 82 6.162 -9.761 27.093 1.00 24.85 C ATOM 584 H LEU A 82 6.656 -5.713 29.797 1.00 0.00 H ATOM 585 N TYR A 83 2.762 -6.270 28.713 1.00 17.25 N ATOM 586 CA TYR A 83 1.475 -6.341 29.391 1.00 18.97 C ATOM 587 C TYR A 83 0.721 -7.508 28.830 1.00 19.99 C ATOM 588 O TYR A 83 0.624 -7.668 27.619 1.00 15.82 O ATOM 589 CB TYR A 83 0.622 -5.114 29.136 1.00 20.68 C ATOM 590 CG TYR A 83 1.138 -3.970 29.868 1.00 21.57 C ATOM 591 CD1 TYR A 83 2.121 -3.182 29.313 1.00 20.42 C ATOM 592 CD2 TYR A 83 0.713 -3.713 31.172 1.00 20.89 C ATOM 593 CE1 TYR A 83 2.659 -2.112 30.024 1.00 24.13 C ATOM 594 CE2 TYR A 83 1.244 -2.681 31.878 1.00 21.61 C ATOM 595 CZ TYR A 83 2.209 -1.874 31.303 1.00 22.52 C ATOM 596 OH TYR A 83 2.744 -0.847 32.004 1.00 22.95 O ATOM 597 HH TYR A 83 3.413 -0.380 31.444 1.00 0.00 H ATOM 598 H TYR A 83 2.755 -6.061 27.694 1.00 0.00 H ATOM 599 N ASP A 84 0.236 -8.347 29.722 1.00 19.90 N ATOM 600 CA ASP A 84 -0.737 -9.327 29.370 1.00 20.12 C ATOM 601 C ASP A 84 -2.045 -8.624 28.977 1.00 19.32 C ATOM 602 O ASP A 84 -2.315 -7.435 29.294 1.00 18.69 O ATOM 603 CB ASP A 84 -1.024 -10.211 30.571 1.00 22.67 C ATOM 604 CG ASP A 84 0.125 -11.114 30.901 1.00 26.48 C ATOM 605 OD1 ASP A 84 0.824 -11.469 29.943 1.00 24.08 O ATOM 606 OD2 ASP A 84 0.321 -11.414 32.103 1.00 27.50 O ATOM 607 H ASP A 84 0.571 -8.293 30.705 1.00 0.00 H ATOM 608 N VAL A 85 -2.904 -9.382 28.352 1.00 18.15 N ATOM 609 CA VAL A 85 -4.127 -8.819 27.820 1.00 17.92 C ATOM 610 C VAL A 85 -5.303 -9.525 28.473 1.00 18.11 C ATOM 611 O VAL A 85 -5.485 -10.711 28.282 1.00 16.03 O ATOM 612 CB VAL A 85 -4.231 -9.034 26.309 1.00 16.82 C ATOM 613 CG1 VAL A 85 -5.636 -8.754 25.850 1.00 16.26 C ATOM 614 CG2 VAL A 85 -3.283 -8.076 25.563 1.00 16.90 C ATOM 615 H VAL A 85 -2.709 -10.397 28.235 1.00 0.00 H ATOM 616 N LEU A 86 -6.120 -8.775 29.192 1.00 17.04 N ATOM 617 CA LEU A 86 -7.323 -9.341 29.804 1.00 17.93 C ATOM 618 C LEU A 86 -8.372 -9.729 28.765 1.00 17.07 C ATOM 619 O LEU A 86 -8.973 -10.829 28.848 1.00 17.77 O ATOM 620 CB LEU A 86 -7.914 -8.353 30.806 1.00 19.13 C ATOM 621 CG LEU A 86 -9.222 -8.678 31.573 1.00 20.86 C ATOM 622 CD1 LEU A 86 -8.982 -9.813 32.537 1.00 22.28 C ATOM 623 CD2 LEU A 86 -9.700 -7.448 32.315 1.00 21.73 C ATOM 624 H LEU A 86 -5.905 -7.766 29.325 1.00 0.00 H ATOM 625 N ARG A 87 -8.529 -8.870 27.762 1.00 17.81 N ATOM 626 CA ARG A 87 -9.583 -8.987 26.752 1.00 20.80 C ATOM 627 C ARG A 87 -9.091 -8.461 25.430 1.00 16.25 C ATOM 628 O ARG A 87 -8.533 -7.404 25.381 1.00 14.00 O ATOM 629 CB ARG A 87 -10.764 -8.058 27.048 1.00 24.90 C ATOM 630 CG ARG A 87 -11.813 -8.662 27.898 1.00 31.39 C ATOM 631 CD ARG A 87 -13.141 -8.013 27.644 1.00 33.28 C ATOM 632 NE ARG A 87 -13.219 -6.746 28.329 1.00 35.72 N ATOM 633 CZ ARG A 87 -13.985 -5.733 27.935 1.00 39.61 C ATOM 634 NH1 ARG A 87 -14.754 -5.823 26.826 1.00 33.72 N ATOM 635 NH2 ARG A 87 -13.968 -4.606 28.658 1.00 43.69 N ATOM 636 HE ARG A 87 -12.641 -6.617 29.184 1.00 0.00 H ATOM 637 HH12 ARG A 87 -15.345 -5.018 26.537 1.00 0.00 H ATOM 638 HH11 ARG A 87 -14.754 -6.697 26.263 1.00 0.00 H ATOM 639 HH22 ARG A 87 -14.557 -3.797 28.374 1.00 0.00 H ATOM 640 HH21 ARG A 87 -13.366 -4.540 29.503 1.00 0.00 H ATOM 641 H ARG A 87 -7.867 -8.071 27.691 1.00 0.00 H ATOM 642 N ALA A 88 -9.400 -9.203 24.372 1.00 15.99 N ATOM 643 CA ALA A 88 -9.225 -8.828 22.975 1.00 15.39 C ATOM 644 C ALA A 88 -10.577 -8.678 22.374 1.00 15.81 C ATOM 645 O ALA A 88 -11.379 -9.619 22.394 1.00 14.96 O ATOM 646 CB ALA A 88 -8.547 -9.919 22.251 1.00 15.13 C ATOM 647 H ALA A 88 -9.806 -10.142 24.559 1.00 0.00 H ATOM 648 N VAL A 89 -10.860 -7.501 21.856 1.00 14.89 N ATOM 649 CA VAL A 89 -12.166 -7.197 21.377 1.00 14.84 C ATOM 650 C VAL A 89 -12.056 -6.803 19.873 1.00 14.75 C ATOM 651 O VAL A 89 -11.878 -5.606 19.530 1.00 14.65 O ATOM 652 CB VAL A 89 -12.788 -6.043 22.173 1.00 17.43 C ATOM 653 CG1 VAL A 89 -14.171 -5.733 21.634 1.00 16.98 C ATOM 654 CG2 VAL A 89 -12.833 -6.329 23.679 1.00 18.29 C ATOM 655 H VAL A 89 -10.114 -6.779 21.795 1.00 0.00 H ATOM 656 N PRO A 90 -12.093 -7.792 18.970 1.00 13.75 N ATOM 657 CA PRO A 90 -12.182 -7.445 17.544 1.00 13.74 C ATOM 658 C PRO A 90 -13.488 -6.756 17.263 1.00 13.88 C ATOM 659 O PRO A 90 -14.466 -6.984 17.973 1.00 12.57 O ATOM 660 CB PRO A 90 -12.139 -8.826 16.808 1.00 15.46 C ATOM 661 CG PRO A 90 -12.502 -9.829 17.843 1.00 15.04 C ATOM 662 CD PRO A 90 -12.102 -9.250 19.184 1.00 14.51 C ATOM 663 N HIS A 91 -13.504 -5.882 16.259 1.00 14.61 N ATOM 664 CA HIS A 91 -14.696 -5.199 15.936 1.00 14.49 C ATOM 665 C HIS A 91 -15.678 -6.302 15.589 1.00 15.62 C ATOM 666 O HIS A 91 -15.323 -7.194 14.847 1.00 14.20 O ATOM 667 CB HIS A 91 -14.523 -4.269 14.744 1.00 14.59 C ATOM 668 CG HIS A 91 -15.659 -3.324 14.591 1.00 15.95 C ATOM 669 ND1 HIS A 91 -16.880 -3.731 14.103 1.00 15.76 N ATOM 670 CD2 HIS A 91 -15.788 -2.010 14.890 1.00 15.50 C ATOM 671 CE1 HIS A 91 -17.721 -2.718 14.143 1.00 14.94 C ATOM 672 NE2 HIS A 91 -17.078 -1.659 14.584 1.00 15.14 N ATOM 673 H HIS A 91 -12.638 -5.702 15.712 1.00 0.00 H ATOM 674 N PRO A 92 -16.919 -6.242 16.116 1.00 17.75 N ATOM 675 CA PRO A 92 -17.853 -7.405 15.898 1.00 18.79 C ATOM 676 C PRO A 92 -18.388 -7.537 14.475 1.00 18.51 C ATOM 677 O PRO A 92 -18.837 -8.601 14.097 1.00 17.32 O ATOM 678 CB PRO A 92 -19.000 -7.125 16.881 1.00 18.87 C ATOM 679 CG PRO A 92 -18.923 -5.657 17.138 1.00 19.37 C ATOM 680 CD PRO A 92 -17.438 -5.331 17.139 1.00 17.68 C ATOM 681 N ASP A 93 -18.277 -6.487 13.684 1.00 17.18 N ATOM 682 CA ASP A 93 -18.602 -6.562 12.262 1.00 18.29 C ATOM 683 C ASP A 93 -17.422 -6.869 11.339 1.00 17.99 C ATOM 684 O ASP A 93 -17.655 -6.967 10.129 1.00 14.90 O ATOM 685 CB ASP A 93 -19.332 -5.303 11.799 1.00 18.96 C ATOM 686 CG ASP A 93 -20.523 -4.963 12.689 1.00 21.99 C ATOM 687 OD1 ASP A 93 -21.322 -5.868 12.956 1.00 22.67 O ATOM 688 OD2 ASP A 93 -20.609 -3.825 13.218 1.00 27.13 O ATOM 689 H ASP A 93 -17.950 -5.584 14.083 1.00 0.00 H ATOM 690 N SER A 94 -16.190 -6.996 11.846 1.00 17.05 N ATOM 691 CA SER A 94 -15.089 -7.421 10.965 1.00 17.88 C ATOM 692 C SER A 94 -15.295 -8.845 10.464 1.00 19.20 C ATOM 693 O SER A 94 -15.884 -9.651 11.146 1.00 18.08 O ATOM 694 CB SER A 94 -13.709 -7.313 11.615 1.00 18.35 C ATOM 695 OG SER A 94 -13.652 -8.065 12.798 1.00 18.26 O ATOM 696 HG SER A 94 -14.331 -7.728 13.435 1.00 0.00 H ATOM 697 H SER A 94 -16.012 -6.797 12.851 1.00 0.00 H ATOM 698 N GLN A 95 -14.787 -9.126 9.265 1.00 22.19 N ATOM 699 CA GLN A 95 -14.947 -10.450 8.627 1.00 26.14 C ATOM 700 C GLN A 95 -13.635 -10.787 7.968 1.00 26.35 C ATOM 701 O GLN A 95 -12.959 -9.887 7.433 1.00 24.21 O ATOM 702 CB GLN A 95 -16.055 -10.437 7.569 1.00 28.77 C ATOM 703 CG GLN A 95 -17.432 -10.518 8.178 1.00 34.67 C ATOM 704 CD GLN A 95 -18.559 -10.236 7.205 1.00 41.70 C ATOM 705 OE1 GLN A 95 -19.628 -10.856 7.310 1.00 45.66 O ATOM 706 NE2 GLN A 95 -18.358 -9.284 6.278 1.00 42.11 N ATOM 707 HE22 GLN A 95 -17.444 -8.791 6.229 1.00 0.00 H ATOM 708 HE21 GLN A 95 -19.117 -9.040 5.610 1.00 0.00 H ATOM 709 H GLN A 95 -14.258 -8.387 8.759 1.00 0.00 H ATOM 710 N PRO A 96 -13.253 -12.068 7.997 1.00 27.49 N ATOM 711 CA PRO A 96 -12.091 -12.322 7.172 1.00 29.70 C ATOM 712 C PRO A 96 -12.462 -11.953 5.721 1.00 28.65 C ATOM 713 O PRO A 96 -13.630 -11.754 5.405 1.00 30.78 O ATOM 714 CB PRO A 96 -11.799 -13.815 7.390 1.00 31.40 C ATOM 715 CG PRO A 96 -12.877 -14.365 8.271 1.00 29.95 C ATOM 716 CD PRO A 96 -13.703 -13.236 8.788 1.00 29.75 C ATOM 717 N ASP A 97 -11.479 -11.788 4.868 1.00 32.53 N ATOM 718 CA ASP A 97 -11.749 -11.496 3.456 1.00 34.46 C ATOM 719 C ASP A 97 -12.318 -10.098 3.214 1.00 30.41 C ATOM 720 O ASP A 97 -12.749 -9.810 2.102 1.00 29.44 O ATOM 721 CB ASP A 97 -12.705 -12.538 2.816 1.00 37.82 C ATOM 722 CG ASP A 97 -12.147 -13.965 2.815 1.00 41.81 C ATOM 723 OD1 ASP A 97 -11.082 -14.278 3.444 1.00 43.22 O ATOM 724 OD2 ASP A 97 -12.810 -14.797 2.155 1.00 45.46 O ATOM 725 H ASP A 97 -10.495 -11.865 5.197 1.00 0.00 H ATOM 726 N THR A 98 -12.349 -9.229 4.230 1.00 27.68 N ATOM 727 CA THR A 98 -12.699 -7.829 4.011 1.00 25.34 C ATOM 728 C THR A 98 -11.813 -6.993 4.906 1.00 22.09 C ATOM 729 O THR A 98 -11.316 -7.497 5.867 1.00 24.62 O ATOM 730 CB THR A 98 -14.172 -7.486 4.342 1.00 26.18 C ATOM 731 OG1 THR A 98 -14.313 -7.218 5.732 1.00 27.88 O ATOM 732 CG2 THR A 98 -15.154 -8.622 3.945 1.00 28.37 C ATOM 733 HG1 THR A 98 -14.041 -8.017 6.250 1.00 0.00 H ATOM 734 H THR A 98 -12.120 -9.556 5.191 1.00 0.00 H ATOM 735 N ILE A 99 -11.604 -5.729 4.588 1.00 23.12 N ATOM 736 CA ILE A 99 -10.935 -4.827 5.540 1.00 22.66 C ATOM 737 C ILE A 99 -11.885 -3.775 6.099 1.00 19.08 C ATOM 738 O ILE A 99 -11.431 -2.782 6.594 1.00 17.91 O ATOM 739 CB ILE A 99 -9.612 -4.153 4.990 1.00 25.75 C ATOM 740 CG1 ILE A 99 -9.825 -3.484 3.624 1.00 27.68 C ATOM 741 CG2 ILE A 99 -8.475 -5.178 4.859 1.00 25.35 C ATOM 742 CD1 ILE A 99 -11.121 -2.730 3.397 1.00 31.46 C ATOM 743 H ILE A 99 -11.913 -5.369 3.662 1.00 0.00 H ATOM 744 N ASP A 100 -13.194 -4.018 6.072 1.00 17.40 N ATOM 745 CA ASP A 100 -14.108 -3.120 6.735 1.00 16.58 C ATOM 746 C ASP A 100 -14.015 -3.374 8.248 1.00 15.88 C ATOM 747 O ASP A 100 -13.812 -4.523 8.699 1.00 14.24 O ATOM 748 CB ASP A 100 -15.558 -3.336 6.288 1.00 18.68 C ATOM 749 CG ASP A 100 -15.773 -3.068 4.814 1.00 18.73 C ATOM 750 OD1 ASP A 100 -15.463 -1.963 4.286 1.00 16.76 O ATOM 751 OD2 ASP A 100 -16.256 -4.009 4.198 1.00 20.32 O ATOM 752 H ASP A 100 -13.557 -4.855 5.573 1.00 0.00 H ATOM 753 N HIS A 101 -14.181 -2.285 9.008 1.00 13.88 N ATOM 754 CA HIS A 101 -14.343 -2.305 10.427 1.00 14.06 C ATOM 755 C HIS A 101 -13.170 -3.003 11.023 1.00 14.20 C ATOM 756 O HIS A 101 -13.356 -3.735 11.989 1.00 14.24 O ATOM 757 CB HIS A 101 -15.597 -3.028 10.868 1.00 13.83 C ATOM 758 CG HIS A 101 -16.775 -2.760 9.990 1.00 13.27 C ATOM 759 ND1 HIS A 101 -17.216 -1.484 9.725 1.00 14.11 N ATOM 760 CD2 HIS A 101 -17.593 -3.589 9.323 1.00 14.49 C ATOM 761 CE1 HIS A 101 -18.236 -1.527 8.900 1.00 13.76 C ATOM 762 NE2 HIS A 101 -18.522 -2.799 8.685 1.00 15.48 N ATOM 763 H HIS A 101 -14.193 -1.360 8.532 1.00 0.00 H ATOM 764 N ASP A 102 -11.980 -2.682 10.505 1.00 13.01 N ATOM 765 CA ASP A 102 -10.757 -3.430 10.778 1.00 14.41 C ATOM 766 C ASP A 102 -10.062 -2.904 12.018 1.00 13.38 C ATOM 767 O ASP A 102 -8.877 -2.494 11.930 1.00 14.48 O ATOM 768 CB ASP A 102 -9.826 -3.328 9.560 1.00 15.21 C ATOM 769 CG ASP A 102 -8.674 -4.314 9.600 1.00 17.12 C ATOM 770 OD1 ASP A 102 -8.676 -5.192 10.493 1.00 21.07 O ATOM 771 OD2 ASP A 102 -7.779 -4.204 8.700 1.00 16.04 O ATOM 772 H ASP A 102 -11.923 -1.857 9.875 1.00 0.00 H ATOM 773 N LEU A 103 -10.767 -2.895 13.158 1.00 11.89 N ATOM 774 CA LEU A 103 -10.216 -2.474 14.426 1.00 11.76 C ATOM 775 C LEU A 103 -10.261 -3.605 15.506 1.00 11.11 C ATOM 776 O LEU A 103 -11.061 -4.562 15.438 1.00 11.32 O ATOM 777 CB LEU A 103 -10.969 -1.242 14.969 1.00 12.20 C ATOM 778 CG LEU A 103 -10.952 -0.055 13.994 1.00 12.16 C ATOM 779 CD1 LEU A 103 -11.854 1.053 14.509 1.00 12.55 C ATOM 780 CD2 LEU A 103 -9.533 0.478 13.803 1.00 11.97 C ATOM 781 H LEU A 103 -11.759 -3.206 13.129 1.00 0.00 H ATOM 782 N LEU A 104 -9.355 -3.482 16.452 1.00 10.14 N ATOM 783 CA LEU A 104 -9.204 -4.398 17.532 1.00 10.34 C ATOM 784 C LEU A 104 -8.831 -3.580 18.744 1.00 10.97 C ATOM 785 O LEU A 104 -7.927 -2.695 18.664 1.00 11.29 O ATOM 786 CB LEU A 104 -8.073 -5.354 17.169 1.00 11.33 C ATOM 787 CG LEU A 104 -7.498 -6.181 18.310 1.00 11.85 C ATOM 788 CD1 LEU A 104 -8.583 -7.037 18.908 1.00 11.76 C ATOM 789 CD2 LEU A 104 -6.433 -7.070 17.737 1.00 12.28 C ATOM 790 H LEU A 104 -8.710 -2.667 16.409 1.00 0.00 H ATOM 791 N LEU A 105 -9.509 -3.833 19.863 1.00 9.90 N ATOM 792 CA LEU A 105 -9.178 -3.158 21.104 1.00 11.28 C ATOM 793 C LEU A 105 -8.688 -4.186 22.071 1.00 11.83 C ATOM 794 O LEU A 105 -9.327 -5.247 22.268 1.00 12.23 O ATOM 795 CB LEU A 105 -10.346 -2.360 21.685 1.00 11.79 C ATOM 796 CG LEU A 105 -10.472 -0.947 21.074 1.00 12.27 C ATOM 797 CD1 LEU A 105 -11.849 -0.318 21.265 1.00 12.31 C ATOM 798 CD2 LEU A 105 -9.351 -0.073 21.600 1.00 12.62 C ATOM 799 H LEU A 105 -10.286 -4.524 19.847 1.00 0.00 H ATOM 800 N LEU A 106 -7.569 -3.869 22.683 1.00 12.35 N ATOM 801 CA LEU A 106 -6.954 -4.810 23.607 1.00 13.28 C ATOM 802 C LEU A 106 -6.914 -4.189 24.977 1.00 13.52 C ATOM 803 O LEU A 106 -6.268 -3.134 25.171 1.00 12.64 O ATOM 804 CB LEU A 106 -5.529 -5.206 23.148 1.00 14.04 C ATOM 805 CG LEU A 106 -5.401 -5.761 21.759 1.00 14.29 C ATOM 806 CD1 LEU A 106 -3.960 -5.760 21.287 1.00 14.38 C ATOM 807 CD2 LEU A 106 -6.034 -7.142 21.781 1.00 14.72 C ATOM 808 H LEU A 106 -7.123 -2.946 22.507 1.00 0.00 H ATOM 809 N GLN A 107 -7.629 -4.828 25.913 1.00 15.01 N ATOM 810 CA GLN A 107 -7.598 -4.379 27.271 1.00 15.86 C ATOM 811 C GLN A 107 -6.387 -4.978 27.959 1.00 15.45 C ATOM 812 O GLN A 107 -6.301 -6.170 28.120 1.00 15.12 O ATOM 813 CB GLN A 107 -8.907 -4.731 27.983 1.00 17.08 C ATOM 814 CG GLN A 107 -9.059 -4.235 29.432 1.00 19.36 C ATOM 815 CD GLN A 107 -10.453 -4.557 30.032 1.00 21.35 C ATOM 816 OE1 GLN A 107 -11.035 -5.587 29.779 1.00 21.05 O ATOM 817 NE2 GLN A 107 -10.980 -3.646 30.781 1.00 23.97 N ATOM 818 HE22 GLN A 107 -10.456 -2.770 30.981 1.00 0.00 H ATOM 819 HE21 GLN A 107 -11.928 -3.788 31.184 1.00 0.00 H ATOM 820 H GLN A 107 -8.208 -5.652 25.652 1.00 0.00 H ATOM 821 N LEU A 108 -5.471 -4.134 28.426 1.00 13.88 N ATOM 822 CA LEU A 108 -4.339 -4.624 29.157 1.00 13.76 C ATOM 823 C LEU A 108 -4.791 -5.250 30.526 1.00 15.30 C ATOM 824 O LEU A 108 -5.869 -4.911 31.071 1.00 14.12 O ATOM 825 CB LEU A 108 -3.347 -3.483 29.365 1.00 14.01 C ATOM 826 CG LEU A 108 -2.893 -2.731 28.098 1.00 13.93 C ATOM 827 CD1 LEU A 108 -1.938 -1.610 28.465 1.00 14.64 C ATOM 828 CD2 LEU A 108 -2.268 -3.736 27.169 1.00 14.61 C ATOM 829 H LEU A 108 -5.577 -3.113 28.260 1.00 0.00 H ATOM 830 N SER A 109 -3.981 -6.176 31.048 1.00 15.98 N ATOM 831 CA SER A 109 -4.148 -6.760 32.395 1.00 17.50 C ATOM 832 C SER A 109 -4.472 -5.662 33.430 1.00 18.99 C ATOM 833 O SER A 109 -5.324 -5.814 34.345 1.00 20.08 O ATOM 834 CB SER A 109 -2.841 -7.478 32.787 1.00 17.37 C ATOM 835 OG SER A 109 -1.700 -6.628 32.696 1.00 17.36 O ATOM 836 HG SER A 109 -0.891 -7.135 32.957 1.00 0.00 H ATOM 837 H SER A 109 -3.182 -6.507 30.469 1.00 0.00 H ATOM 838 N GLU A 110 -3.742 -4.562 33.317 1.00 19.32 N ATOM 839 CA GLU A 110 -3.881 -3.447 34.220 1.00 22.10 C ATOM 840 C GLU A 110 -3.547 -2.148 33.481 1.00 20.45 C ATOM 841 O GLU A 110 -2.972 -2.166 32.386 1.00 18.87 O ATOM 842 CB GLU A 110 -2.957 -3.628 35.436 1.00 23.41 C ATOM 843 CG GLU A 110 -1.491 -3.825 35.104 1.00 26.13 C ATOM 844 CD GLU A 110 -0.653 -4.273 36.322 1.00 32.39 C ATOM 845 OE1 GLU A 110 -1.204 -4.636 37.397 1.00 28.73 O ATOM 846 OE2 GLU A 110 0.586 -4.225 36.197 1.00 34.27 O ATOM 847 H GLU A 110 -3.043 -4.501 32.549 1.00 0.00 H ATOM 848 N LYS A 111 -3.900 -1.024 34.102 1.00 19.46 N ATOM 849 CA LYS A 111 -3.455 0.297 33.612 1.00 19.88 C ATOM 850 C LYS A 111 -1.957 0.321 33.403 1.00 18.63 C ATOM 851 O LYS A 111 -1.205 -0.011 34.278 1.00 18.73 O ATOM 852 CB LYS A 111 -3.897 1.458 34.549 1.00 21.14 C ATOM 853 CG LYS A 111 -5.389 1.718 34.475 1.00 24.82 C ATOM 854 CD LYS A 111 -5.935 2.740 35.464 1.00 28.54 C ATOM 855 CE LYS A 111 -7.436 2.943 35.172 1.00 33.61 C ATOM 856 NZ LYS A 111 -7.894 4.350 35.376 1.00 35.77 N ATOM 857 HZ1 LYS A 111 -7.727 4.628 36.364 1.00 0.00 H ATOM 858 HZ2 LYS A 111 -7.363 4.981 34.742 1.00 0.00 H ATOM 859 HZ3 LYS A 111 -8.910 4.417 35.163 1.00 0.00 H ATOM 860 H LYS A 111 -4.501 -1.077 34.949 1.00 0.00 H ATOM 861 N ALA A 112 -1.531 0.735 32.211 1.00 16.31 N ATOM 862 CA ALA A 112 -0.163 0.856 31.870 1.00 16.51 C ATOM 863 C ALA A 112 0.503 1.936 32.719 1.00 17.77 C ATOM 864 O ALA A 112 -0.116 2.937 33.059 1.00 18.43 O ATOM 865 CB ALA A 112 -0.055 1.222 30.399 1.00 17.02 C ATOM 866 H ALA A 112 -2.241 0.982 31.493 1.00 0.00 H ATOM 867 N THR A 113 1.741 1.719 33.084 1.00 20.19 N ATOM 868 CA THR A 113 2.497 2.794 33.722 1.00 23.48 C ATOM 869 C THR A 113 2.921 3.808 32.688 1.00 23.92 C ATOM 870 O THR A 113 3.688 3.511 31.781 1.00 25.41 O ATOM 871 CB THR A 113 3.737 2.267 34.461 1.00 25.54 C ATOM 872 OG1 THR A 113 3.327 1.230 35.354 1.00 26.37 O ATOM 873 CG2 THR A 113 4.434 3.423 35.279 1.00 25.80 C ATOM 874 HG1 THR A 113 4.117 0.881 35.837 1.00 0.00 H ATOM 875 H THR A 113 2.182 0.791 32.922 1.00 0.00 H ATOM 876 N LEU A 114 2.445 5.029 32.861 1.00 23.04 N ATOM 877 CA LEU A 114 2.725 6.095 31.945 1.00 22.32 C ATOM 878 C LEU A 114 4.001 6.752 32.390 1.00 23.42 C ATOM 879 O LEU A 114 4.326 6.755 33.574 1.00 25.58 O ATOM 880 CB LEU A 114 1.584 7.109 31.960 1.00 22.99 C ATOM 881 CG LEU A 114 0.199 6.586 31.577 1.00 21.92 C ATOM 882 CD1 LEU A 114 -0.771 7.767 31.481 1.00 22.65 C ATOM 883 CD2 LEU A 114 0.251 5.812 30.262 1.00 21.90 C ATOM 884 H LEU A 114 1.847 5.223 33.690 1.00 0.00 H ATOM 885 N GLY A 115 4.771 7.246 31.442 1.00 21.25 N ATOM 886 CA GLY A 115 5.923 8.113 31.745 1.00 21.64 C ATOM 887 C GLY A 115 6.374 8.703 30.433 1.00 21.81 C ATOM 888 O GLY A 115 5.562 8.676 29.480 1.00 20.82 O ATOM 889 H GLY A 115 4.559 7.017 30.450 1.00 0.00 H ATOM 890 N PRO A 118 7.615 9.233 30.345 1.00 21.36 N ATOM 891 CA PRO A 118 8.026 9.885 29.092 1.00 20.79 C ATOM 892 C PRO A 118 7.925 8.945 27.856 1.00 18.27 C ATOM 893 O PRO A 118 7.687 9.401 26.718 1.00 17.91 O ATOM 894 CB PRO A 118 9.498 10.300 29.342 1.00 22.48 C ATOM 895 CG PRO A 118 9.800 10.059 30.775 1.00 23.23 C ATOM 896 CD PRO A 118 8.587 9.466 31.440 1.00 23.43 C ATOM 897 N ALA A 119 8.175 7.662 28.047 1.00 16.85 N ATOM 898 CA ALA A 119 8.173 6.711 26.898 1.00 16.59 C ATOM 899 C ALA A 119 6.851 5.978 26.707 1.00 15.25 C ATOM 900 O ALA A 119 6.761 5.049 25.875 1.00 14.92 O ATOM 901 CB ALA A 119 9.274 5.686 27.124 1.00 17.20 C ATOM 902 H ALA A 119 8.375 7.312 29.006 1.00 0.00 H ATOM 903 N VAL A 120 5.864 6.238 27.571 1.00 16.10 N ATOM 904 CA VAL A 120 4.591 5.497 27.492 1.00 15.24 C ATOM 905 C VAL A 120 3.447 6.457 27.801 1.00 16.97 C ATOM 906 O VAL A 120 3.239 6.854 28.966 1.00 16.71 O ATOM 907 CB VAL A 120 4.485 4.282 28.431 1.00 16.85 C ATOM 908 CG1 VAL A 120 3.111 3.623 28.282 1.00 17.18 C ATOM 909 CG2 VAL A 120 5.515 3.234 28.093 1.00 16.61 C ATOM 910 H VAL A 120 5.995 6.966 28.302 1.00 0.00 H ATOM 911 N ARG A 121 2.710 6.792 26.758 1.00 17.03 N ATOM 912 CA ARG A 121 1.665 7.785 26.842 1.00 20.17 C ATOM 913 C ARG A 121 0.588 7.537 25.761 1.00 16.79 C ATOM 914 O ARG A 121 0.885 7.336 24.586 1.00 15.28 O ATOM 915 CB ARG A 121 2.234 9.222 26.738 1.00 22.60 C ATOM 916 CG ARG A 121 1.259 10.352 27.145 1.00 29.67 C ATOM 917 CD ARG A 121 0.939 10.438 28.643 1.00 34.30 C ATOM 918 NE ARG A 121 2.090 10.660 29.532 1.00 39.67 N ATOM 919 CZ ARG A 121 1.999 10.759 30.862 1.00 44.86 C ATOM 920 NH1 ARG A 121 0.808 10.687 31.448 1.00 47.24 N ATOM 921 NH2 ARG A 121 3.093 10.952 31.614 1.00 47.38 N ATOM 922 HE ARG A 121 3.032 10.745 29.099 1.00 0.00 H ATOM 923 HH12 ARG A 121 0.732 10.763 32.482 1.00 0.00 H ATOM 924 HH11 ARG A 121 -0.048 10.554 30.872 1.00 0.00 H ATOM 925 HH22 ARG A 121 3.007 11.027 32.648 1.00 0.00 H ATOM 926 HH21 ARG A 121 4.027 11.027 31.163 1.00 0.00 H ATOM 927 H ARG A 121 2.888 6.325 25.846 1.00 0.00 H ATOM 928 N PRO A 122 -0.671 7.559 26.180 1.00 17.20 N ATOM 929 CA PRO A 122 -1.792 7.473 25.256 1.00 16.52 C ATOM 930 C PRO A 122 -1.772 8.580 24.224 1.00 16.13 C ATOM 931 O PRO A 122 -1.357 9.709 24.532 1.00 16.59 O ATOM 932 CB PRO A 122 -3.019 7.652 26.154 1.00 17.69 C ATOM 933 CG PRO A 122 -2.583 7.474 27.567 1.00 17.90 C ATOM 934 CD PRO A 122 -1.103 7.724 27.593 1.00 18.50 C ATOM 935 N LEU A 123 -2.218 8.276 23.023 1.00 15.02 N ATOM 936 CA LEU A 123 -2.326 9.274 21.986 1.00 15.15 C ATOM 937 C LEU A 123 -3.796 9.668 21.750 1.00 15.27 C ATOM 938 O LEU A 123 -4.639 8.826 21.424 1.00 13.56 O ATOM 939 CB LEU A 123 -1.691 8.786 20.693 1.00 15.34 C ATOM 940 CG LEU A 123 -1.778 9.735 19.474 1.00 16.02 C ATOM 941 CD1 LEU A 123 -0.914 10.951 19.662 1.00 16.53 C ATOM 942 CD2 LEU A 123 -1.371 8.973 18.226 1.00 15.83 C ATOM 943 H LEU A 123 -2.498 7.296 22.817 1.00 0.00 H ATOM 944 N PRO A 124 -4.100 10.956 21.912 1.00 14.92 N ATOM 945 CA PRO A 124 -5.472 11.367 21.592 1.00 14.76 C ATOM 946 C PRO A 124 -5.869 10.945 20.155 1.00 14.87 C ATOM 947 O PRO A 124 -5.027 10.998 19.263 1.00 12.75 O ATOM 948 CB PRO A 124 -5.433 12.889 21.750 1.00 15.68 C ATOM 949 CG PRO A 124 -4.166 13.209 22.547 1.00 15.56 C ATOM 950 CD PRO A 124 -3.215 12.084 22.282 1.00 14.72 C ATOM 951 N TRP A 124A -7.113 10.473 19.983 1.00 14.16 N ATOM 952 CA TRP A 124A -7.615 10.012 18.703 1.00 14.42 C ATOM 953 C TRP A 124A -8.748 10.890 18.168 1.00 13.81 C ATOM 954 O TRP A 124A -9.527 11.438 18.917 1.00 11.11 O ATOM 955 CB TRP A 124A -8.083 8.574 18.756 1.00 16.53 C ATOM 956 CG TRP A 124A -9.087 8.203 19.813 1.00 18.06 C ATOM 957 CD1 TRP A 124A -8.838 7.843 21.130 1.00 16.77 C ATOM 958 CD2 TRP A 124A -10.501 8.038 19.616 1.00 17.14 C ATOM 959 NE1 TRP A 124A -10.008 7.541 21.753 1.00 17.18 N ATOM 960 CE2 TRP A 124A -11.051 7.684 20.864 1.00 17.35 C ATOM 961 CE3 TRP A 124A -11.353 8.273 18.540 1.00 16.39 C ATOM 962 CZ2 TRP A 124A -12.409 7.425 21.034 1.00 18.83 C ATOM 963 CZ3 TRP A 124A -12.734 8.030 18.718 1.00 19.27 C ATOM 964 CH2 TRP A 124A -13.239 7.633 19.959 1.00 17.80 C ATOM 965 HE1 TRP A 124A -10.101 7.248 22.746 1.00 0.00 H ATOM 966 H TRP A 124A -7.747 10.436 20.806 1.00 0.00 H ATOM 967 N GLN A 125 -8.792 11.003 16.850 1.00 14.37 N ATOM 968 CA GLN A 125 -9.685 11.935 16.181 1.00 15.22 C ATOM 969 C GLN A 125 -11.174 11.594 16.382 1.00 15.19 C ATOM 970 O GLN A 125 -11.642 10.461 16.193 1.00 15.17 O ATOM 971 CB GLN A 125 -9.302 11.996 14.716 1.00 14.79 C ATOM 972 CG GLN A 125 -10.145 12.924 13.870 1.00 15.02 C ATOM 973 CD GLN A 125 -9.922 14.351 14.239 1.00 15.98 C ATOM 974 OE1 GLN A 125 -10.688 14.927 14.948 1.00 16.91 O ATOM 975 NE2 GLN A 125 -8.880 14.915 13.738 1.00 16.41 N ATOM 976 HE22 GLN A 125 -8.239 14.372 13.124 1.00 0.00 H ATOM 977 HE21 GLN A 125 -8.678 15.914 13.947 1.00 0.00 H ATOM 978 H GLN A 125 -8.167 10.405 16.273 1.00 0.00 H ATOM 979 N ARG A 126 -11.905 12.629 16.778 1.00 17.44 N ATOM 980 CA ARG A 126 -13.340 12.492 16.977 1.00 17.77 C ATOM 981 C ARG A 126 -14.160 13.217 15.938 1.00 17.27 C ATOM 982 O ARG A 126 -15.310 12.892 15.745 1.00 19.71 O ATOM 983 CB ARG A 126 -13.702 12.943 18.365 1.00 18.62 C ATOM 984 CG ARG A 126 -12.699 12.403 19.355 1.00 18.48 C ATOM 985 CD ARG A 126 -13.354 12.110 20.652 1.00 18.22 C ATOM 986 NE ARG A 126 -14.550 11.345 20.441 1.00 16.81 N ATOM 987 CZ ARG A 126 -14.930 10.408 21.272 1.00 16.12 C ATOM 988 NH1 ARG A 126 -16.030 9.753 21.050 1.00 15.91 N ATOM 989 NH2 ARG A 126 -14.163 10.112 22.292 1.00 17.27 N ATOM 990 HE ARG A 126 -15.132 11.541 19.602 1.00 0.00 H ATOM 991 HH12 ARG A 126 -16.334 9.008 21.709 1.00 0.00 H ATOM 992 HH11 ARG A 126 -16.607 9.974 20.213 1.00 0.00 H ATOM 993 HH22 ARG A 126 -14.451 9.370 22.961 1.00 0.00 H ATOM 994 HH21 ARG A 126 -13.266 10.619 22.433 1.00 0.00 H ATOM 995 H ARG A 126 -11.447 13.547 16.948 1.00 0.00 H ATOM 996 N VAL A 127 -13.568 14.133 15.193 1.00 17.35 N ATOM 997 CA VAL A 127 -14.335 14.786 14.137 1.00 17.20 C ATOM 998 C VAL A 127 -14.411 13.845 12.946 1.00 15.86 C ATOM 999 O VAL A 127 -13.412 13.537 12.331 1.00 13.39 O ATOM 1000 CB VAL A 127 -13.721 16.138 13.770 1.00 18.06 C ATOM 1001 CG1 VAL A 127 -14.482 16.794 12.621 1.00 19.09 C ATOM 1002 CG2 VAL A 127 -13.747 17.066 14.999 1.00 20.19 C ATOM 1003 H VAL A 127 -12.572 14.385 15.356 1.00 0.00 H ATOM 1004 N ASP A 128 -15.596 13.415 12.574 1.00 15.49 N ATOM 1005 CA ASP A 128 -15.711 12.551 11.386 1.00 15.94 C ATOM 1006 C ASP A 128 -15.751 13.356 10.070 1.00 15.21 C ATOM 1007 O ASP A 128 -16.737 13.323 9.342 1.00 14.04 O ATOM 1008 CB ASP A 128 -16.941 11.672 11.536 1.00 16.77 C ATOM 1009 CG ASP A 128 -16.959 10.528 10.570 1.00 17.57 C ATOM 1010 OD1 ASP A 128 -15.931 10.241 9.967 1.00 16.83 O ATOM 1011 OD2 ASP A 128 -18.023 9.861 10.411 1.00 18.68 O ATOM 1012 H ASP A 128 -16.444 13.682 13.113 1.00 0.00 H ATOM 1013 N ARG A 129 -14.650 14.042 9.772 1.00 17.11 N ATOM 1014 CA ARG A 129 -14.465 14.757 8.520 1.00 19.01 C ATOM 1015 C ARG A 129 -13.077 14.442 7.983 1.00 18.27 C ATOM 1016 O ARG A 129 -12.168 14.151 8.751 1.00 18.86 O ATOM 1017 CB ARG A 129 -14.728 16.247 8.696 1.00 22.62 C ATOM 1018 CG ARG A 129 -16.185 16.537 9.086 1.00 24.83 C ATOM 1019 CD ARG A 129 -16.567 18.000 8.806 1.00 28.27 C ATOM 1020 NE ARG A 129 -15.850 18.905 9.704 1.00 31.04 N ATOM 1021 CZ ARG A 129 -16.260 19.236 10.934 1.00 37.57 C ATOM 1022 NH1 ARG A 129 -17.415 18.758 11.425 1.00 38.81 N ATOM 1023 NH2 ARG A 129 -15.522 20.055 11.689 1.00 35.45 N ATOM 1024 HE ARG A 129 -14.960 19.320 9.363 1.00 0.00 H ATOM 1025 HH12 ARG A 129 -17.722 19.023 12.383 1.00 0.00 H ATOM 1026 HH11 ARG A 129 -18.002 18.123 10.848 1.00 0.00 H ATOM 1027 HH22 ARG A 129 -15.842 20.311 12.645 1.00 0.00 H ATOM 1028 HH21 ARG A 129 -14.627 20.436 11.321 1.00 0.00 H ATOM 1029 H ARG A 129 -13.881 14.068 10.472 1.00 0.00 H ATOM 1030 N ASP A 129A -12.936 14.408 6.652 1.00 17.34 N ATOM 1031 CA ASP A 129A -11.643 14.121 6.044 1.00 16.57 C ATOM 1032 C ASP A 129A -10.643 15.244 6.276 1.00 16.56 C ATOM 1033 O ASP A 129A -10.956 16.445 6.248 1.00 15.89 O ATOM 1034 CB ASP A 129A -11.784 13.981 4.530 1.00 18.55 C ATOM 1035 CG ASP A 129A -12.404 12.688 4.134 1.00 19.04 C ATOM 1036 OD1 ASP A 129A -12.020 11.664 4.752 1.00 19.98 O ATOM 1037 OD2 ASP A 129A -13.229 12.721 3.192 1.00 21.26 O ATOM 1038 H ASP A 129A -13.760 14.589 6.044 1.00 0.00 H ATOM 1039 N VAL A 130 -9.420 14.811 6.387 1.00 15.63 N ATOM 1040 CA VAL A 130 -8.284 15.678 6.529 1.00 16.29 C ATOM 1041 C VAL A 130 -7.917 16.233 5.133 1.00 16.12 C ATOM 1042 O VAL A 130 -8.416 15.734 4.100 1.00 16.25 O ATOM 1043 CB VAL A 130 -7.176 14.853 7.247 1.00 17.74 C ATOM 1044 CG1 VAL A 130 -5.797 15.133 6.738 1.00 18.83 C ATOM 1045 CG2 VAL A 130 -7.253 15.067 8.764 1.00 18.23 C ATOM 1046 H VAL A 130 -9.257 13.784 6.372 1.00 0.00 H ATOM 1047 N ALA A 131 -7.078 17.264 5.093 1.00 15.13 N ATOM 1048 CA ALA A 131 -6.654 17.858 3.835 1.00 15.38 C ATOM 1049 C ALA A 131 -5.953 16.855 2.956 1.00 14.43 C ATOM 1050 O ALA A 131 -5.179 16.012 3.426 1.00 14.98 O ATOM 1051 CB ALA A 131 -5.734 19.094 4.081 1.00 16.86 C ATOM 1052 H ALA A 131 -6.715 17.656 5.985 1.00 0.00 H ATOM 1053 N PRO A 132 -6.195 16.933 1.636 1.00 15.26 N ATOM 1054 CA PRO A 132 -5.371 16.152 0.724 1.00 14.47 C ATOM 1055 C PRO A 132 -3.919 16.463 0.999 1.00 13.82 C ATOM 1056 O PRO A 132 -3.554 17.619 1.257 1.00 12.94 O ATOM 1057 CB PRO A 132 -5.791 16.656 -0.656 1.00 15.92 C ATOM 1058 CG PRO A 132 -7.206 17.187 -0.452 1.00 17.14 C ATOM 1059 CD PRO A 132 -7.233 17.717 0.946 1.00 15.64 C ATOM 1060 N GLY A 133 -3.087 15.421 1.044 1.00 12.18 N ATOM 1061 CA GLY A 133 -1.665 15.635 1.092 1.00 12.58 C ATOM 1062 C GLY A 133 -1.139 15.897 2.491 1.00 12.14 C ATOM 1063 O GLY A 133 0.002 16.078 2.637 1.00 12.82 O ATOM 1064 H GLY A 133 -3.467 14.453 1.044 1.00 0.00 H ATOM 1065 N THR A 134 -1.988 15.904 3.500 1.00 14.20 N ATOM 1066 CA THR A 134 -1.603 16.066 4.927 1.00 14.38 C ATOM 1067 C THR A 134 -0.561 15.027 5.239 1.00 13.18 C ATOM 1068 O THR A 134 -0.737 13.873 4.898 1.00 13.74 O ATOM 1069 CB THR A 134 -2.771 15.777 5.910 1.00 15.38 C ATOM 1070 OG1 THR A 134 -3.843 16.695 5.719 1.00 17.60 O ATOM 1071 CG2 THR A 134 -2.300 15.800 7.413 1.00 16.17 C ATOM 1072 HG1 THR A 134 -4.182 16.616 4.792 1.00 0.00 H ATOM 1073 H THR A 134 -2.998 15.788 3.282 1.00 0.00 H ATOM 1074 N LEU A 135 0.523 15.449 5.861 1.00 13.46 N ATOM 1075 CA LEU A 135 1.682 14.623 6.025 1.00 14.24 C ATOM 1076 C LEU A 135 1.491 13.920 7.371 1.00 14.89 C ATOM 1077 O LEU A 135 1.478 14.544 8.396 1.00 14.90 O ATOM 1078 CB LEU A 135 2.972 15.474 6.118 1.00 16.66 C ATOM 1079 CG LEU A 135 4.140 15.033 5.245 1.00 18.75 C ATOM 1080 CD1 LEU A 135 5.477 15.524 5.843 1.00 19.17 C ATOM 1081 CD2 LEU A 135 4.193 13.614 4.695 1.00 18.06 C ATOM 1082 H LEU A 135 0.537 16.415 6.246 1.00 0.00 H ATOM 1083 N CYS A 136 1.343 12.625 7.342 1.00 13.06 N ATOM 1084 CA CYS A 136 1.061 11.872 8.511 1.00 12.77 C ATOM 1085 C CYS A 136 2.239 10.941 8.735 1.00 13.17 C ATOM 1086 O CYS A 136 3.042 10.727 7.835 1.00 11.53 O ATOM 1087 CB CYS A 136 -0.210 11.055 8.325 1.00 13.10 C ATOM 1088 SG CYS A 136 -1.650 12.077 7.911 1.00 16.55 S ATOM 1089 H CYS A 136 1.435 12.128 6.433 1.00 0.00 H ATOM 1090 N ASP A 137 2.312 10.389 9.920 1.00 12.26 N ATOM 1091 CA ASP A 137 3.451 9.599 10.265 1.00 14.26 C ATOM 1092 C ASP A 137 2.946 8.205 10.640 1.00 13.47 C ATOM 1093 O ASP A 137 1.960 8.101 11.400 1.00 13.20 O ATOM 1094 CB ASP A 137 4.145 10.224 11.446 1.00 17.22 C ATOM 1095 CG ASP A 137 5.329 9.390 11.903 1.00 18.66 C ATOM 1096 OD1 ASP A 137 6.364 9.372 11.185 1.00 20.26 O ATOM 1097 OD2 ASP A 137 5.129 8.623 12.886 1.00 22.80 O ATOM 1098 H ASP A 137 1.544 10.525 10.607 1.00 0.00 H ATOM 1099 N VAL A 138 3.562 7.177 10.039 1.00 11.76 N ATOM 1100 CA VAL A 138 3.254 5.786 10.327 1.00 12.54 C ATOM 1101 C VAL A 138 4.545 5.153 10.799 1.00 11.07 C ATOM 1102 O VAL A 138 5.607 5.406 10.270 1.00 11.04 O ATOM 1103 CB VAL A 138 2.619 4.949 9.164 1.00 13.23 C ATOM 1104 CG1 VAL A 138 3.557 4.779 8.039 1.00 16.44 C ATOM 1105 CG2 VAL A 138 2.320 3.496 9.526 1.00 13.53 C ATOM 1106 H VAL A 138 4.296 7.385 9.332 1.00 0.00 H ATOM 1107 N ALA A 139 4.403 4.453 11.892 1.00 10.98 N ATOM 1108 CA ALA A 139 5.498 3.705 12.497 1.00 10.20 C ATOM 1109 C ALA A 139 5.121 2.255 12.644 1.00 10.28 C ATOM 1110 O ALA A 139 3.959 1.877 12.857 1.00 8.85 O ATOM 1111 CB ALA A 139 5.864 4.308 13.889 1.00 10.26 C ATOM 1112 H ALA A 139 3.470 4.428 12.350 1.00 0.00 H ATOM 1113 N GLY A 140 6.150 1.406 12.615 1.00 10.72 N ATOM 1114 CA GLY A 140 5.899 0.003 12.841 1.00 11.00 C ATOM 1115 C GLY A 140 7.178 -0.766 12.806 1.00 11.14 C ATOM 1116 O GLY A 140 8.239 -0.225 12.446 1.00 10.72 O ATOM 1117 H GLY A 140 7.115 1.749 12.433 1.00 0.00 H ATOM 1118 N TRP A 141 7.037 -2.029 13.167 1.00 12.84 N ATOM 1119 CA TRP A 141 8.111 -3.022 13.126 1.00 12.32 C ATOM 1120 C TRP A 141 7.911 -4.015 11.977 1.00 12.24 C ATOM 1121 O TRP A 141 8.445 -5.186 11.976 1.00 11.74 O ATOM 1122 CB TRP A 141 8.213 -3.766 14.456 1.00 12.20 C ATOM 1123 CG TRP A 141 8.775 -2.995 15.621 1.00 12.54 C ATOM 1124 CD1 TRP A 141 10.110 -2.856 15.966 1.00 12.15 C ATOM 1125 CD2 TRP A 141 8.025 -2.287 16.610 1.00 12.16 C ATOM 1126 NE1 TRP A 141 10.225 -2.115 17.103 1.00 12.19 N ATOM 1127 CE2 TRP A 141 8.964 -1.755 17.532 1.00 12.42 C ATOM 1128 CE3 TRP A 141 6.655 -2.013 16.790 1.00 11.82 C ATOM 1129 CZ2 TRP A 141 8.572 -1.014 18.626 1.00 12.03 C ATOM 1130 CZ3 TRP A 141 6.274 -1.331 17.899 1.00 11.50 C ATOM 1131 CH2 TRP A 141 7.237 -0.816 18.806 1.00 12.06 C ATOM 1132 HE1 TRP A 141 11.118 -1.862 17.572 1.00 0.00 H ATOM 1133 H TRP A 141 6.102 -2.338 13.502 1.00 0.00 H ATOM 1134 N GLY A 142 7.164 -3.566 10.974 1.00 11.68 N ATOM 1135 CA GLY A 142 6.842 -4.405 9.855 1.00 12.39 C ATOM 1136 C GLY A 142 8.047 -4.623 8.967 1.00 11.91 C ATOM 1137 O GLY A 142 9.139 -4.055 9.207 1.00 11.86 O ATOM 1138 H GLY A 142 6.806 -2.590 11.000 1.00 0.00 H ATOM 1139 N ILE A 143 7.851 -5.392 7.922 1.00 10.81 N ATOM 1140 CA ILE A 143 8.941 -5.706 7.000 1.00 12.19 C ATOM 1141 C ILE A 143 9.496 -4.492 6.248 1.00 12.49 C ATOM 1142 O ILE A 143 8.817 -3.506 6.020 1.00 11.69 O ATOM 1143 CB ILE A 143 8.612 -6.856 6.029 1.00 12.47 C ATOM 1144 CG1 ILE A 143 7.563 -6.440 5.012 1.00 12.61 C ATOM 1145 CG2 ILE A 143 8.203 -8.104 6.800 1.00 13.04 C ATOM 1146 CD1 ILE A 143 7.195 -7.550 4.046 1.00 12.52 C ATOM 1147 H ILE A 143 6.904 -5.785 7.747 1.00 0.00 H ATOM 1148 N VAL A 144 10.788 -4.524 5.965 1.00 12.59 N ATOM 1149 CA VAL A 144 11.423 -3.327 5.439 1.00 12.98 C ATOM 1150 C VAL A 144 11.942 -3.544 4.008 1.00 14.31 C ATOM 1151 O VAL A 144 12.459 -2.638 3.412 1.00 13.98 O ATOM 1152 CB VAL A 144 12.533 -2.822 6.373 1.00 13.71 C ATOM 1153 CG1 VAL A 144 11.991 -2.399 7.709 1.00 13.18 C ATOM 1154 CG2 VAL A 144 13.556 -3.937 6.594 1.00 13.84 C ATOM 1155 H VAL A 144 11.341 -5.392 6.117 1.00 0.00 H ATOM 1156 N ASN A 145 11.780 -4.735 3.414 1.00 14.34 N ATOM 1157 CA ASN A 145 12.152 -4.891 2.011 1.00 14.09 C ATOM 1158 C ASN A 145 11.400 -6.037 1.394 1.00 14.44 C ATOM 1159 O ASN A 145 10.583 -6.719 2.050 1.00 13.80 O ATOM 1160 CB ASN A 145 13.689 -5.043 1.797 1.00 14.42 C ATOM 1161 CG ASN A 145 14.285 -6.238 2.496 1.00 15.17 C ATOM 1162 OD1 ASN A 145 13.592 -7.155 2.876 1.00 16.45 O ATOM 1163 ND2 ASN A 145 15.602 -6.222 2.669 1.00 17.31 N ATOM 1164 HD22 ASN A 145 16.162 -5.415 2.327 1.00 0.00 H ATOM 1165 HD21 ASN A 145 16.074 -7.017 3.146 1.00 0.00 H ATOM 1166 H ASN A 145 11.393 -5.540 3.947 1.00 0.00 H ATOM 1167 N HIS A 146 11.667 -6.248 0.107 1.00 15.36 N ATOM 1168 CA HIS A 146 10.988 -7.291 -0.647 1.00 15.56 C ATOM 1169 C HIS A 146 11.313 -8.734 -0.247 1.00 15.74 C ATOM 1170 O HIS A 146 10.460 -9.619 -0.388 1.00 15.47 O ATOM 1171 CB HIS A 146 11.264 -7.092 -2.121 1.00 15.42 C ATOM 1172 CG HIS A 146 10.562 -5.904 -2.666 1.00 15.86 C ATOM 1173 ND1 HIS A 146 10.411 -5.690 -4.011 1.00 15.75 N ATOM 1174 CD2 HIS A 146 9.963 -4.864 -2.040 1.00 16.67 C ATOM 1175 CE1 HIS A 146 9.726 -4.568 -4.197 1.00 15.74 C ATOM 1176 NE2 HIS A 146 9.442 -4.049 -3.021 1.00 16.59 N ATOM 1177 H HIS A 146 12.376 -5.655 -0.370 1.00 0.00 H ATOM 1178 N ALA A 147 12.503 -8.954 0.287 1.00 14.42 N ATOM 1179 CA ALA A 147 12.863 -10.257 0.811 1.00 15.09 C ATOM 1180 C ALA A 147 12.153 -10.577 2.119 1.00 14.01 C ATOM 1181 O ALA A 147 12.224 -11.704 2.581 1.00 13.08 O ATOM 1182 CB ALA A 147 14.374 -10.310 1.058 1.00 15.20 C ATOM 1183 H ALA A 147 13.193 -8.178 0.332 1.00 0.00 H ATOM 1184 N GLY A 149 11.547 -9.584 2.755 1.00 15.45 N ATOM 1185 CA GLY A 149 10.878 -9.769 4.036 1.00 14.99 C ATOM 1186 C GLY A 149 11.720 -9.509 5.297 1.00 15.68 C ATOM 1187 O GLY A 149 11.368 -9.984 6.414 1.00 12.87 O ATOM 1188 H GLY A 149 11.549 -8.638 2.323 1.00 0.00 H ATOM 1189 N ARG A 150 12.788 -8.708 5.167 1.00 17.07 N ATOM 1190 CA ARG A 150 13.628 -8.420 6.317 1.00 19.16 C ATOM 1191 C ARG A 150 12.796 -7.692 7.381 1.00 18.33 C ATOM 1192 O ARG A 150 12.083 -6.778 7.063 1.00 18.33 O ATOM 1193 CB ARG A 150 14.851 -7.573 5.933 1.00 22.20 C ATOM 1194 CG ARG A 150 15.963 -7.637 7.002 1.00 28.43 C ATOM 1195 CD ARG A 150 16.630 -6.274 7.286 1.00 35.01 C ATOM 1196 NE ARG A 150 17.859 -6.028 6.500 1.00 40.17 N ATOM 1197 CZ ARG A 150 18.180 -4.881 5.863 1.00 43.13 C ATOM 1198 NH1 ARG A 150 17.367 -3.795 5.821 1.00 33.60 N ATOM 1199 NH2 ARG A 150 19.354 -4.836 5.221 1.00 43.88 N ATOM 1200 HE ARG A 150 18.539 -6.812 6.432 1.00 0.00 H ATOM 1201 HH12 ARG A 150 17.669 -2.939 5.314 1.00 0.00 H ATOM 1202 HH11 ARG A 150 16.442 -3.819 6.296 1.00 0.00 H ATOM 1203 HH22 ARG A 150 19.639 -3.971 4.718 1.00 0.00 H ATOM 1204 HH21 ARG A 150 19.981 -5.666 5.225 1.00 0.00 H ATOM 1205 H ARG A 150 13.015 -8.292 4.241 1.00 0.00 H ATOM 1206 N ARG A 151 12.940 -8.115 8.628 1.00 19.35 N ATOM 1207 CA ARG A 151 12.209 -7.627 9.753 1.00 20.55 C ATOM 1208 C ARG A 151 13.166 -6.816 10.616 1.00 18.94 C ATOM 1209 O ARG A 151 14.192 -7.338 11.040 1.00 22.04 O ATOM 1210 CB ARG A 151 11.716 -8.792 10.556 1.00 24.72 C ATOM 1211 CG ARG A 151 10.537 -9.510 9.948 1.00 30.39 C ATOM 1212 CD ARG A 151 9.833 -10.367 10.995 1.00 33.76 C ATOM 1213 NE ARG A 151 10.655 -11.459 11.484 1.00 41.38 N ATOM 1214 CZ ARG A 151 10.839 -12.623 10.858 1.00 49.37 C ATOM 1215 NH1 ARG A 151 11.613 -13.544 11.446 1.00 53.92 N ATOM 1216 NH2 ARG A 151 10.240 -12.898 9.678 1.00 48.43 N ATOM 1217 HE ARG A 151 11.139 -11.323 12.395 1.00 0.00 H ATOM 1218 HH12 ARG A 151 11.775 -14.461 10.982 1.00 0.00 H ATOM 1219 HH11 ARG A 151 12.053 -13.343 12.367 1.00 0.00 H ATOM 1220 HH22 ARG A 151 10.402 -13.814 9.213 1.00 0.00 H ATOM 1221 HH21 ARG A 151 9.617 -12.193 9.235 1.00 0.00 H ATOM 1222 H ARG A 151 13.642 -8.863 8.801 1.00 0.00 H ATOM 1223 N PRO A 152 12.818 -5.571 10.939 1.00 17.17 N ATOM 1224 CA PRO A 152 13.699 -4.739 11.753 1.00 15.93 C ATOM 1225 C PRO A 152 13.559 -5.005 13.259 1.00 15.55 C ATOM 1226 O PRO A 152 12.437 -5.256 13.737 1.00 16.08 O ATOM 1227 CB PRO A 152 13.245 -3.334 11.401 1.00 16.40 C ATOM 1228 CG PRO A 152 11.833 -3.479 11.097 1.00 17.29 C ATOM 1229 CD PRO A 152 11.643 -4.814 10.455 1.00 16.95 C ATOM 1230 N ASP A 153 14.662 -4.926 13.999 1.00 14.76 N ATOM 1231 CA ASP A 153 14.596 -5.000 15.458 1.00 15.69 C ATOM 1232 C ASP A 153 13.993 -3.769 16.095 1.00 15.75 C ATOM 1233 O ASP A 153 13.312 -3.887 17.102 1.00 15.25 O ATOM 1234 CB ASP A 153 15.987 -5.125 16.058 1.00 15.44 C ATOM 1235 CG ASP A 153 15.971 -5.183 17.539 1.00 14.77 C ATOM 1236 OD1 ASP A 153 15.531 -6.156 18.158 1.00 16.30 O ATOM 1237 OD2 ASP A 153 16.468 -4.261 18.123 1.00 14.84 O ATOM 1238 H ASP A 153 15.584 -4.810 13.533 1.00 0.00 H ATOM 1239 N SER A 154 14.249 -2.616 15.468 1.00 15.60 N ATOM 1240 CA SER A 154 13.949 -1.304 16.019 1.00 15.24 C ATOM 1241 C SER A 154 12.815 -0.620 15.257 1.00 14.04 C ATOM 1242 O SER A 154 12.652 -0.821 14.047 1.00 14.64 O ATOM 1243 CB SER A 154 15.195 -0.434 15.925 1.00 16.62 C ATOM 1244 OG SER A 154 15.346 0.027 14.600 1.00 17.99 O ATOM 1245 HG SER A 154 16.156 0.593 14.539 1.00 0.00 H ATOM 1246 H SER A 154 14.690 -2.660 14.527 1.00 0.00 H ATOM 1247 N LEU A 155 12.043 0.199 15.934 1.00 11.87 N ATOM 1248 CA LEU A 155 10.914 0.876 15.275 1.00 11.81 C ATOM 1249 C LEU A 155 11.330 1.766 14.118 1.00 12.10 C ATOM 1250 O LEU A 155 12.313 2.567 14.197 1.00 10.87 O ATOM 1251 CB LEU A 155 10.101 1.681 16.292 1.00 11.50 C ATOM 1252 CG LEU A 155 8.798 2.343 15.894 1.00 10.86 C ATOM 1253 CD1 LEU A 155 7.699 1.325 15.579 1.00 10.83 C ATOM 1254 CD2 LEU A 155 8.414 3.302 17.060 1.00 10.77 C ATOM 1255 H LEU A 155 12.231 0.370 16.942 1.00 0.00 H ATOM 1256 N GLN A 156 10.586 1.586 13.021 1.00 12.83 N ATOM 1257 CA GLN A 156 10.718 2.357 11.798 1.00 13.16 C ATOM 1258 C GLN A 156 9.582 3.334 11.671 1.00 12.93 C ATOM 1259 O GLN A 156 8.550 3.135 12.241 1.00 13.35 O ATOM 1260 CB GLN A 156 10.657 1.459 10.576 1.00 13.40 C ATOM 1261 CG GLN A 156 11.667 0.318 10.609 1.00 14.27 C ATOM 1262 CD GLN A 156 13.105 0.821 10.435 1.00 14.26 C ATOM 1263 OE1 GLN A 156 13.470 1.416 9.391 1.00 16.02 O ATOM 1264 NE2 GLN A 156 13.946 0.502 11.417 1.00 14.32 N ATOM 1265 HE22 GLN A 156 13.595 0.009 12.263 1.00 0.00 H ATOM 1266 HE21 GLN A 156 14.954 0.746 11.338 1.00 0.00 H ATOM 1267 H GLN A 156 9.861 0.841 13.046 1.00 0.00 H ATOM 1268 N HIS A 157 9.792 4.384 10.935 1.00 12.96 N ATOM 1269 CA HIS A 157 8.655 5.217 10.559 1.00 14.33 C ATOM 1270 C HIS A 157 8.795 5.822 9.208 1.00 14.36 C ATOM 1271 O HIS A 157 9.894 5.885 8.640 1.00 13.86 O ATOM 1272 CB HIS A 157 8.439 6.319 11.578 1.00 14.43 C ATOM 1273 CG HIS A 157 9.311 7.495 11.336 1.00 16.09 C ATOM 1274 ND1 HIS A 157 8.819 8.712 10.905 1.00 18.59 N ATOM 1275 CD2 HIS A 157 10.657 7.621 11.375 1.00 17.33 C ATOM 1276 CE1 HIS A 157 9.828 9.543 10.701 1.00 17.44 C ATOM 1277 NE2 HIS A 157 10.956 8.909 10.978 1.00 16.54 N ATOM 1278 H HIS A 157 10.753 4.626 10.620 1.00 0.00 H ATOM 1279 N VAL A 158 7.679 6.373 8.730 1.00 13.61 N ATOM 1280 CA VAL A 158 7.654 6.969 7.401 1.00 14.65 C ATOM 1281 C VAL A 158 6.619 8.077 7.457 1.00 14.26 C ATOM 1282 O VAL A 158 5.540 7.909 8.051 1.00 11.61 O ATOM 1283 CB VAL A 158 7.382 5.906 6.312 1.00 17.03 C ATOM 1284 CG1 VAL A 158 5.994 5.327 6.376 1.00 15.70 C ATOM 1285 CG2 VAL A 158 7.707 6.403 4.939 1.00 19.14 C ATOM 1286 H VAL A 158 6.817 6.377 9.312 1.00 0.00 H ATOM 1287 N LEU A 159 6.995 9.210 6.880 1.00 14.18 N ATOM 1288 CA LEU A 159 6.060 10.293 6.665 1.00 16.44 C ATOM 1289 C LEU A 159 5.345 10.101 5.339 1.00 15.88 C ATOM 1290 O LEU A 159 6.014 10.051 4.254 1.00 15.95 O ATOM 1291 CB LEU A 159 6.808 11.617 6.639 1.00 18.17 C ATOM 1292 CG LEU A 159 7.365 11.881 8.034 1.00 20.64 C ATOM 1293 CD1 LEU A 159 8.324 13.060 7.992 1.00 23.07 C ATOM 1294 CD2 LEU A 159 6.228 12.108 9.054 1.00 21.89 C ATOM 1295 H LEU A 159 7.983 9.323 6.575 1.00 0.00 H ATOM 1296 N LEU A 160 4.037 9.922 5.417 1.00 14.12 N ATOM 1297 CA LEU A 160 3.210 9.698 4.219 1.00 13.94 C ATOM 1298 C LEU A 160 2.119 10.794 4.048 1.00 12.27 C ATOM 1299 O LEU A 160 1.416 11.102 5.009 1.00 11.95 O ATOM 1300 CB LEU A 160 2.515 8.358 4.309 1.00 15.68 C ATOM 1301 CG LEU A 160 3.410 7.138 4.601 1.00 16.39 C ATOM 1302 CD1 LEU A 160 2.597 5.881 4.873 1.00 18.14 C ATOM 1303 CD2 LEU A 160 4.333 6.907 3.423 1.00 17.96 C ATOM 1304 H LEU A 160 3.579 9.940 6.351 1.00 0.00 H ATOM 1305 N PRO A 161 1.992 11.354 2.852 1.00 12.38 N ATOM 1306 CA PRO A 161 0.864 12.259 2.541 1.00 13.77 C ATOM 1307 C PRO A 161 -0.419 11.494 2.371 1.00 14.06 C ATOM 1308 O PRO A 161 -0.445 10.459 1.691 1.00 13.41 O ATOM 1309 CB PRO A 161 1.224 12.859 1.168 1.00 14.11 C ATOM 1310 CG PRO A 161 2.509 12.265 0.743 1.00 15.45 C ATOM 1311 CD PRO A 161 2.796 11.077 1.643 1.00 13.46 C ATOM 1312 N VAL A 162 -1.497 12.061 2.879 1.00 14.90 N ATOM 1313 CA VAL A 162 -2.826 11.512 2.679 1.00 12.82 C ATOM 1314 C VAL A 162 -3.201 11.629 1.210 1.00 13.16 C ATOM 1315 O VAL A 162 -2.918 12.618 0.567 1.00 12.91 O ATOM 1316 CB VAL A 162 -3.842 12.229 3.577 1.00 13.98 C ATOM 1317 CG1 VAL A 162 -5.300 11.821 3.299 1.00 14.53 C ATOM 1318 CG2 VAL A 162 -3.512 11.965 5.010 1.00 13.46 C ATOM 1319 H VAL A 162 -1.391 12.930 3.441 1.00 0.00 H ATOM 1320 N LEU A 163 -3.840 10.597 0.699 1.00 11.58 N ATOM 1321 CA LEU A 163 -4.329 10.537 -0.650 1.00 12.71 C ATOM 1322 C LEU A 163 -5.830 10.598 -0.592 1.00 13.30 C ATOM 1323 O LEU A 163 -6.488 9.746 0.028 1.00 12.76 O ATOM 1324 CB LEU A 163 -3.847 9.240 -1.320 1.00 13.27 C ATOM 1325 CG LEU A 163 -4.312 9.045 -2.791 1.00 14.15 C ATOM 1326 CD1 LEU A 163 -3.719 10.209 -3.583 1.00 13.82 C ATOM 1327 CD2 LEU A 163 -3.822 7.771 -3.346 1.00 14.60 C ATOM 1328 H LEU A 163 -4.001 9.772 1.312 1.00 0.00 H ATOM 1329 N ASP A 164 -6.397 11.608 -1.243 1.00 12.80 N ATOM 1330 CA ASP A 164 -7.804 11.762 -1.250 1.00 13.40 C ATOM 1331 C ASP A 164 -8.482 10.461 -1.732 1.00 12.88 C ATOM 1332 O ASP A 164 -7.950 9.669 -2.545 1.00 13.79 O ATOM 1333 CB ASP A 164 -8.257 12.899 -2.173 1.00 13.23 C ATOM 1334 CG ASP A 164 -8.002 12.592 -3.650 1.00 15.31 C ATOM 1335 OD1 ASP A 164 -6.882 12.794 -4.195 1.00 15.61 O ATOM 1336 OD2 ASP A 164 -8.975 12.125 -4.305 1.00 16.45 O ATOM 1337 H ASP A 164 -5.801 12.292 -1.752 1.00 0.00 H ATOM 1338 N ARG A 165 -9.676 10.282 -1.216 1.00 13.65 N ATOM 1339 CA ARG A 165 -10.442 9.051 -1.405 1.00 13.94 C ATOM 1340 C ARG A 165 -10.880 8.852 -2.840 1.00 14.48 C ATOM 1341 O ARG A 165 -10.954 7.683 -3.354 1.00 14.16 O ATOM 1342 CB ARG A 165 -11.617 9.068 -0.452 1.00 14.66 C ATOM 1343 CG ARG A 165 -12.519 7.828 -0.536 1.00 15.36 C ATOM 1344 CD ARG A 165 -13.633 7.818 0.503 1.00 16.98 C ATOM 1345 NE ARG A 165 -13.060 7.901 1.869 1.00 16.11 N ATOM 1346 CZ ARG A 165 -13.016 9.030 2.553 1.00 15.22 C ATOM 1347 NH1 ARG A 165 -13.520 10.208 2.031 1.00 13.71 N ATOM 1348 NH2 ARG A 165 -12.422 9.020 3.734 1.00 15.33 N ATOM 1349 HE ARG A 165 -12.678 7.037 2.305 1.00 0.00 H ATOM 1350 HH12 ARG A 165 -13.474 11.085 2.588 1.00 0.00 H ATOM 1351 HH11 ARG A 165 -13.944 10.216 1.082 1.00 0.00 H ATOM 1352 HH22 ARG A 165 -12.370 9.893 4.298 1.00 0.00 H ATOM 1353 HH21 ARG A 165 -12.006 8.140 4.100 1.00 0.00 H ATOM 1354 H ARG A 165 -10.094 11.047 -0.649 1.00 0.00 H ATOM 1355 N ALA A 166 -11.208 9.960 -3.503 1.00 14.55 N ATOM 1356 CA ALA A 166 -11.492 9.882 -4.926 1.00 14.82 C ATOM 1357 C ALA A 166 -10.362 9.277 -5.755 1.00 14.72 C ATOM 1358 O ALA A 166 -10.589 8.339 -6.516 1.00 14.68 O ATOM 1359 CB ALA A 166 -11.941 11.248 -5.469 1.00 14.01 C ATOM 1360 H ALA A 166 -11.260 10.872 -3.007 1.00 0.00 H ATOM 1361 N THR A 167 -9.127 9.750 -5.590 1.00 14.61 N ATOM 1362 CA THR A 167 -8.038 9.179 -6.350 1.00 15.30 C ATOM 1363 C THR A 167 -7.789 7.728 -5.925 1.00 14.75 C ATOM 1364 O THR A 167 -7.559 6.832 -6.764 1.00 15.85 O ATOM 1365 CB THR A 167 -6.728 9.960 -6.181 1.00 15.99 C ATOM 1366 OG1 THR A 167 -6.960 11.352 -6.425 1.00 14.71 O ATOM 1367 CG2 THR A 167 -5.632 9.362 -7.090 1.00 15.67 C ATOM 1368 HG1 THR A 167 -7.630 11.692 -5.780 1.00 0.00 H ATOM 1369 H THR A 167 -8.948 10.524 -4.919 1.00 0.00 H ATOM 1370 N CYS A 168 -7.917 7.488 -4.635 1.00 14.73 N ATOM 1371 CA CYS A 168 -7.683 6.154 -4.073 1.00 13.46 C ATOM 1372 C CYS A 168 -8.666 5.105 -4.644 1.00 13.70 C ATOM 1373 O CYS A 168 -8.329 3.951 -4.799 1.00 13.62 O ATOM 1374 CB CYS A 168 -7.759 6.199 -2.542 1.00 12.14 C ATOM 1375 SG CYS A 168 -6.879 4.770 -1.889 1.00 13.53 S ATOM 1376 H CYS A 168 -8.191 8.265 -4.000 1.00 0.00 H ATOM 1377 N ASN A 169 -9.862 5.541 -4.987 1.00 13.95 N ATOM 1378 CA ASN A 169 -10.908 4.687 -5.527 1.00 15.00 C ATOM 1379 C ASN A 169 -10.871 4.577 -7.063 1.00 16.59 C ATOM 1380 O ASN A 169 -11.719 3.893 -7.657 1.00 16.93 O ATOM 1381 CB ASN A 169 -12.262 5.238 -5.082 1.00 15.86 C ATOM 1382 CG ASN A 169 -12.765 4.608 -3.787 1.00 15.94 C ATOM 1383 OD1 ASN A 169 -12.517 3.411 -3.521 1.00 17.29 O ATOM 1384 ND2 ASN A 169 -13.476 5.406 -2.967 1.00 16.08 N ATOM 1385 HD22 ASN A 169 -13.656 6.395 -3.232 1.00 0.00 H ATOM 1386 HD21 ASN A 169 -13.845 5.033 -2.069 1.00 0.00 H ATOM 1387 H ASN A 169 -10.069 6.553 -4.864 1.00 0.00 H ATOM 1388 N ARG A 170 -9.930 5.230 -7.733 1.00 18.92 N ATOM 1389 CA ARG A 170 -9.914 5.135 -9.204 1.00 20.10 C ATOM 1390 C ARG A 170 -9.667 3.720 -9.605 1.00 21.80 C ATOM 1391 O ARG A 170 -8.996 2.951 -8.867 1.00 19.04 O ATOM 1392 CB ARG A 170 -8.793 5.909 -9.796 1.00 22.57 C ATOM 1393 CG ARG A 170 -8.962 7.380 -9.663 1.00 22.46 C ATOM 1394 CD ARG A 170 -7.711 8.014 -10.239 1.00 24.14 C ATOM 1395 NE ARG A 170 -8.028 9.343 -10.679 1.00 23.25 N ATOM 1396 CZ ARG A 170 -7.235 10.104 -11.416 1.00 26.21 C ATOM 1397 NH1 ARG A 170 -6.055 9.663 -11.816 1.00 29.52 N ATOM 1398 NH2 ARG A 170 -7.660 11.311 -11.763 1.00 23.41 N ATOM 1399 HE ARG A 170 -8.949 9.737 -10.398 1.00 0.00 H ATOM 1400 HH12 ARG A 170 -5.441 10.271 -12.395 1.00 0.00 H ATOM 1401 HH11 ARG A 170 -5.740 8.708 -11.552 1.00 0.00 H ATOM 1402 HH22 ARG A 170 -7.056 11.929 -12.342 1.00 0.00 H ATOM 1403 HH21 ARG A 170 -8.598 11.640 -11.456 1.00 0.00 H ATOM 1404 H ARG A 170 -9.218 5.797 -7.230 1.00 0.00 H ATOM 1405 N ARG A 170A -10.220 3.372 -10.761 1.00 24.59 N ATOM 1406 CA ARG A 170A -10.102 2.040 -11.308 1.00 29.93 C ATOM 1407 C ARG A 170A -8.707 1.495 -11.222 1.00 24.40 C ATOM 1408 O ARG A 170A -8.533 0.361 -10.872 1.00 26.97 O ATOM 1409 CB ARG A 170A -10.548 1.994 -12.783 1.00 33.38 C ATOM 1410 CG ARG A 170A -11.919 1.374 -12.906 1.00 44.94 C ATOM 1411 CD ARG A 170A -12.938 2.301 -12.230 1.00 52.02 C ATOM 1412 NE ARG A 170A -14.348 1.879 -12.287 1.00 59.84 N ATOM 1413 CZ ARG A 170A -15.049 1.620 -13.392 1.00 61.82 C ATOM 1414 NH1 ARG A 170A -14.498 1.666 -14.605 1.00 62.13 N ATOM 1415 NH2 ARG A 170A -16.331 1.278 -13.273 1.00 64.51 N ATOM 1416 HE ARG A 170A -14.844 1.773 -11.379 1.00 0.00 H ATOM 1417 HH12 ARG A 170A -15.074 1.458 -15.446 1.00 0.00 H ATOM 1418 HH11 ARG A 170A -13.492 1.910 -14.710 1.00 0.00 H ATOM 1419 HH22 ARG A 170A -16.895 1.072 -14.122 1.00 0.00 H ATOM 1420 HH21 ARG A 170A -16.768 1.217 -12.331 1.00 0.00 H ATOM 1421 H ARG A 170A -10.758 4.085 -11.293 1.00 0.00 H ATOM 1422 N THR A 170B -7.725 2.314 -11.544 1.00 25.23 N ATOM 1423 CA THR A 170B -6.323 1.871 -11.560 1.00 25.35 C ATOM 1424 C THR A 170B -5.765 1.766 -10.145 1.00 22.81 C ATOM 1425 O THR A 170B -4.646 1.343 -9.959 1.00 22.94 O ATOM 1426 CB THR A 170B -5.422 2.831 -12.376 1.00 27.17 C ATOM 1427 OG1 THR A 170B -5.567 4.145 -11.852 1.00 31.72 O ATOM 1428 CG2 THR A 170B -5.780 2.853 -13.856 1.00 28.49 C ATOM 1429 HG1 THR A 170B -5.293 4.152 -10.901 1.00 0.00 H ATOM 1430 H THR A 170B -7.948 3.299 -11.793 1.00 0.00 H ATOM 1431 N HIS A 171 -6.547 2.145 -9.146 1.00 22.47 N ATOM 1432 CA HIS A 171 -6.043 2.200 -7.790 1.00 22.44 C ATOM 1433 C HIS A 171 -6.773 1.123 -6.982 1.00 20.60 C ATOM 1434 O HIS A 171 -6.603 -0.062 -7.269 1.00 17.09 O ATOM 1435 CB HIS A 171 -6.187 3.615 -7.238 1.00 24.52 C ATOM 1436 CG HIS A 171 -5.178 4.592 -7.775 1.00 30.56 C ATOM 1437 ND1 HIS A 171 -5.017 4.853 -9.117 1.00 37.00 N ATOM 1438 CD2 HIS A 171 -4.289 5.389 -7.137 1.00 36.48 C ATOM 1439 CE1 HIS A 171 -4.064 5.754 -9.286 1.00 32.56 C ATOM 1440 NE2 HIS A 171 -3.617 6.107 -8.099 1.00 35.51 N ATOM 1441 H HIS A 171 -7.535 2.406 -9.338 1.00 0.00 H ATOM 1442 N HIS A 172 -7.613 1.514 -6.033 1.00 19.35 N ATOM 1443 CA HIS A 172 -8.446 0.551 -5.323 1.00 18.25 C ATOM 1444 C HIS A 172 -9.875 0.407 -5.788 1.00 18.03 C ATOM 1445 O HIS A 172 -10.676 -0.201 -5.091 1.00 16.19 O ATOM 1446 CB HIS A 172 -8.389 0.857 -3.834 1.00 18.47 C ATOM 1447 CG HIS A 172 -7.054 0.539 -3.243 1.00 19.15 C ATOM 1448 ND1 HIS A 172 -6.428 -0.678 -3.452 1.00 19.54 N ATOM 1449 CD2 HIS A 172 -6.226 1.263 -2.450 1.00 18.07 C ATOM 1450 CE1 HIS A 172 -5.276 -0.695 -2.801 1.00 20.11 C ATOM 1451 NE2 HIS A 172 -5.138 0.467 -2.163 1.00 18.65 N ATOM 1452 H HIS A 172 -7.678 2.523 -5.792 1.00 0.00 H ATOM 1453 N ASP A 173 -10.204 1.003 -6.931 1.00 18.71 N ATOM 1454 CA ASP A 173 -11.420 0.600 -7.690 1.00 22.14 C ATOM 1455 C ASP A 173 -12.696 0.579 -6.825 1.00 20.74 C ATOM 1456 O ASP A 173 -13.406 -0.405 -6.780 1.00 22.94 O ATOM 1457 CB ASP A 173 -11.150 -0.783 -8.332 1.00 22.50 C ATOM 1458 CG ASP A 173 -12.105 -1.130 -9.452 1.00 25.10 C ATOM 1459 OD1 ASP A 173 -12.808 -0.215 -9.985 1.00 22.29 O ATOM 1460 OD2 ASP A 173 -12.141 -2.357 -9.761 1.00 24.78 O ATOM 1461 H ASP A 173 -9.601 1.765 -7.301 1.00 0.00 H ATOM 1462 N GLY A 174 -13.005 1.705 -6.166 1.00 18.66 N ATOM 1463 CA GLY A 174 -14.247 1.874 -5.411 1.00 19.04 C ATOM 1464 C GLY A 174 -14.267 1.198 -4.044 1.00 18.28 C ATOM 1465 O GLY A 174 -15.289 1.273 -3.344 1.00 16.76 O ATOM 1466 H GLY A 174 -12.330 2.496 -6.193 1.00 0.00 H ATOM 1467 N ALA A 175 -13.162 0.520 -3.662 1.00 18.57 N ATOM 1468 CA ALA A 175 -13.163 -0.264 -2.433 1.00 18.45 C ATOM 1469 C ALA A 175 -13.080 0.613 -1.208 1.00 16.96 C ATOM 1470 O ALA A 175 -13.359 0.151 -0.100 1.00 16.28 O ATOM 1471 CB ALA A 175 -12.007 -1.271 -2.391 1.00 19.48 C ATOM 1472 H ALA A 175 -12.305 0.558 -4.249 1.00 0.00 H ATOM 1473 N ILE A 176 -12.646 1.851 -1.376 1.00 14.88 N ATOM 1474 CA ILE A 176 -12.408 2.702 -0.187 1.00 15.24 C ATOM 1475 C ILE A 176 -13.710 3.408 0.237 1.00 15.29 C ATOM 1476 O ILE A 176 -14.167 4.339 -0.418 1.00 15.54 O ATOM 1477 CB ILE A 176 -11.294 3.732 -0.408 1.00 15.61 C ATOM 1478 CG1 ILE A 176 -10.056 3.074 -1.058 1.00 15.34 C ATOM 1479 CG2 ILE A 176 -10.889 4.362 0.933 1.00 15.49 C ATOM 1480 CD1 ILE A 176 -9.438 1.988 -0.226 1.00 14.87 C ATOM 1481 H ILE A 176 -12.474 2.223 -2.332 1.00 0.00 H ATOM 1482 N THR A 177 -14.278 2.960 1.338 1.00 15.15 N ATOM 1483 CA THR A 177 -15.506 3.543 1.913 1.00 16.38 C ATOM 1484 C THR A 177 -15.146 4.830 2.676 1.00 17.09 C ATOM 1485 O THR A 177 -13.956 5.115 2.914 1.00 19.86 O ATOM 1486 CB THR A 177 -16.152 2.590 2.931 1.00 16.79 C ATOM 1487 OG1 THR A 177 -15.287 2.504 4.078 1.00 17.05 O ATOM 1488 CG2 THR A 177 -16.407 1.213 2.345 1.00 17.45 C ATOM 1489 HG1 THR A 177 -15.687 1.893 4.747 1.00 0.00 H ATOM 1490 H THR A 177 -13.839 2.154 1.827 1.00 0.00 H ATOM 1491 N GLU A 178 -16.151 5.589 3.097 1.00 16.24 N ATOM 1492 CA GLU A 178 -15.903 6.786 3.901 1.00 16.04 C ATOM 1493 C GLU A 178 -15.260 6.520 5.266 1.00 15.25 C ATOM 1494 O GLU A 178 -14.834 7.471 5.943 1.00 15.61 O ATOM 1495 CB GLU A 178 -17.182 7.626 4.083 1.00 16.97 C ATOM 1496 CG GLU A 178 -18.171 6.984 5.055 1.00 19.62 C ATOM 1497 CD GLU A 178 -19.164 8.001 5.678 1.00 22.03 C ATOM 1498 OE1 GLU A 178 -19.599 9.000 5.006 1.00 22.25 O ATOM 1499 OE2 GLU A 178 -19.486 7.804 6.844 1.00 20.24 O ATOM 1500 H GLU A 178 -17.128 5.329 2.852 1.00 0.00 H ATOM 1501 N ARG A 179 -15.203 5.257 5.659 1.00 14.72 N ATOM 1502 CA ARG A 179 -14.686 4.862 6.971 1.00 13.51 C ATOM 1503 C ARG A 179 -13.214 4.527 6.869 1.00 13.47 C ATOM 1504 O ARG A 179 -12.573 4.116 7.866 1.00 12.60 O ATOM 1505 CB ARG A 179 -15.473 3.662 7.536 1.00 14.00 C ATOM 1506 CG ARG A 179 -17.000 3.784 7.424 1.00 14.37 C ATOM 1507 CD ARG A 179 -17.780 2.769 8.246 1.00 13.88 C ATOM 1508 NE ARG A 179 -17.843 3.116 9.654 1.00 13.65 N ATOM 1509 CZ ARG A 179 -18.593 2.485 10.570 1.00 14.59 C ATOM 1510 NH1 ARG A 179 -19.414 1.494 10.219 1.00 15.17 N ATOM 1511 NH2 ARG A 179 -18.575 2.858 11.831 1.00 14.49 N ATOM 1512 HE ARG A 179 -17.262 3.915 9.978 1.00 0.00 H ATOM 1513 HH12 ARG A 179 -19.989 1.015 10.941 1.00 0.00 H ATOM 1514 HH11 ARG A 179 -19.479 1.201 9.223 1.00 0.00 H ATOM 1515 HH22 ARG A 179 -19.162 2.359 12.529 1.00 0.00 H ATOM 1516 HH21 ARG A 179 -17.974 3.652 12.130 1.00 0.00 H ATOM 1517 H ARG A 179 -15.539 4.516 5.011 1.00 0.00 H ATOM 1518 N LEU A 180 -12.678 4.662 5.660 1.00 12.18 N ATOM 1519 CA LEU A 180 -11.297 4.325 5.362 1.00 12.75 C ATOM 1520 C LEU A 180 -10.652 5.560 4.718 1.00 11.92 C ATOM 1521 O LEU A 180 -11.361 6.463 4.169 1.00 14.07 O ATOM 1522 CB LEU A 180 -11.239 3.150 4.377 1.00 12.39 C ATOM 1523 CG LEU A 180 -11.809 1.835 4.931 1.00 12.21 C ATOM 1524 CD1 LEU A 180 -11.971 0.851 3.806 1.00 13.21 C ATOM 1525 CD2 LEU A 180 -10.871 1.263 5.966 1.00 12.06 C ATOM 1526 H LEU A 180 -13.276 5.026 4.891 1.00 0.00 H ATOM 1527 N MET A 181 -9.340 5.588 4.806 1.00 11.62 N ATOM 1528 CA MET A 181 -8.551 6.565 4.142 1.00 11.75 C ATOM 1529 C MET A 181 -7.291 5.951 3.567 1.00 11.17 C ATOM 1530 O MET A 181 -6.864 4.824 3.892 1.00 11.43 O ATOM 1531 CB MET A 181 -8.189 7.712 5.103 1.00 12.64 C ATOM 1532 CG MET A 181 -7.326 7.223 6.267 1.00 12.87 C ATOM 1533 SD MET A 181 -6.973 8.501 7.506 1.00 13.54 S ATOM 1534 CE MET A 181 -6.056 9.639 6.512 1.00 13.59 C ATOM 1535 H MET A 181 -8.862 4.867 5.384 1.00 0.00 H ATOM 1536 N CYS A 182 -6.686 6.713 2.677 1.00 10.83 N ATOM 1537 CA CYS A 182 -5.539 6.250 2.007 1.00 11.21 C ATOM 1538 C CYS A 182 -4.446 7.208 2.294 1.00 11.53 C ATOM 1539 O CYS A 182 -4.726 8.382 2.522 1.00 13.67 O ATOM 1540 CB CYS A 182 -5.768 6.141 0.529 1.00 11.65 C ATOM 1541 SG CYS A 182 -7.101 5.016 0.103 1.00 13.22 S ATOM 1542 H CYS A 182 -7.059 7.661 2.469 1.00 0.00 H ATOM 1543 N ALA A 183 -3.230 6.691 2.209 1.00 11.48 N ATOM 1544 CA ALA A 183 -2.021 7.450 2.049 1.00 11.83 C ATOM 1545 C ALA A 183 -1.135 6.924 0.923 1.00 12.80 C ATOM 1546 O ALA A 183 -1.251 5.765 0.446 1.00 13.59 O ATOM 1547 CB ALA A 183 -1.250 7.523 3.358 1.00 11.49 C ATOM 1548 H ALA A 183 -3.144 5.656 2.262 1.00 0.00 H ATOM 1549 N GLU A 184 -0.259 7.804 0.427 1.00 13.98 N ATOM 1550 CA GLU A 184 0.659 7.431 -0.657 1.00 15.27 C ATOM 1551 C GLU A 184 1.491 6.222 -0.278 1.00 14.49 C ATOM 1552 O GLU A 184 1.848 6.008 0.896 1.00 13.35 O ATOM 1553 CB GLU A 184 1.610 8.566 -1.023 1.00 17.82 C ATOM 1554 CG GLU A 184 0.869 9.714 -1.636 1.00 20.45 C ATOM 1555 CD GLU A 184 1.793 10.813 -2.071 1.00 25.13 C ATOM 1556 OE1 GLU A 184 3.049 10.698 -1.879 1.00 25.51 O ATOM 1557 OE2 GLU A 184 1.235 11.778 -2.598 1.00 24.79 O ATOM 1558 H GLU A 184 -0.227 8.768 0.815 1.00 0.00 H ATOM 1559 N SER A 185 1.765 5.424 -1.302 1.00 15.19 N ATOM 1560 CA SER A 185 2.479 4.171 -1.142 1.00 15.84 C ATOM 1561 C SER A 185 3.630 4.094 -2.161 1.00 18.06 C ATOM 1562 O SER A 185 3.921 3.004 -2.664 1.00 19.77 O ATOM 1563 CB SER A 185 1.530 3.009 -1.386 1.00 15.20 C ATOM 1564 OG SER A 185 0.811 3.218 -2.607 1.00 13.31 O ATOM 1565 HG SER A 185 0.195 2.458 -2.760 1.00 0.00 H ATOM 1566 H SER A 185 1.457 5.707 -2.254 1.00 0.00 H ATOM 1567 N ASN A 186 4.258 5.224 -2.464 1.00 17.92 N ATOM 1568 CA ASN A 186 5.209 5.277 -3.560 1.00 18.21 C ATOM 1569 C ASN A 186 6.596 4.922 -3.052 1.00 18.24 C ATOM 1570 O ASN A 186 7.326 5.778 -2.619 1.00 16.07 O ATOM 1571 CB ASN A 186 5.185 6.652 -4.171 1.00 20.33 C ATOM 1572 CG ASN A 186 6.097 6.777 -5.376 1.00 22.15 C ATOM 1573 OD1 ASN A 186 6.432 7.880 -5.771 1.00 27.30 O ATOM 1574 ND2 ASN A 186 6.536 5.663 -5.935 1.00 22.12 N ATOM 1575 HD22 ASN A 186 6.226 4.740 -5.568 1.00 0.00 H ATOM 1576 HD21 ASN A 186 7.191 5.709 -6.741 1.00 0.00 H ATOM 1577 H ASN A 186 4.066 6.082 -1.909 1.00 0.00 H ATOM 1578 N ARG A 187 6.893 3.632 -3.023 1.00 19.00 N ATOM 1579 CA ARG A 187 8.141 3.065 -2.483 1.00 19.86 C ATOM 1580 C ARG A 187 8.274 3.155 -0.917 1.00 23.37 C ATOM 1581 O ARG A 187 8.835 2.237 -0.273 1.00 27.15 O ATOM 1582 CB ARG A 187 9.365 3.597 -3.262 1.00 20.18 C ATOM 1583 H ARG A 187 6.192 2.969 -3.411 1.00 0.00 H ATOM 1584 N ARG A 188 7.771 4.245 -0.321 1.00 21.26 N ATOM 1585 CA ARG A 188 7.571 4.372 1.106 1.00 20.69 C ATOM 1586 C ARG A 188 6.151 3.870 1.402 1.00 16.87 C ATOM 1587 O ARG A 188 5.216 4.383 0.810 1.00 16.18 O ATOM 1588 CB ARG A 188 7.627 5.847 1.518 1.00 23.58 C ATOM 1589 CG ARG A 188 8.912 6.570 1.148 1.00 29.87 C ATOM 1590 CD ARG A 188 8.922 7.908 1.884 1.00 35.29 C ATOM 1591 NE ARG A 188 9.752 8.936 1.253 1.00 43.86 N ATOM 1592 CZ ARG A 188 10.370 9.930 1.903 1.00 49.40 C ATOM 1593 NH1 ARG A 188 10.303 10.050 3.244 1.00 48.02 N ATOM 1594 NH2 ARG A 188 11.080 10.816 1.207 1.00 50.81 N ATOM 1595 HE ARG A 188 9.871 8.891 0.221 1.00 0.00 H ATOM 1596 HH12 ARG A 188 10.794 10.833 3.721 1.00 0.00 H ATOM 1597 HH11 ARG A 188 9.761 9.360 3.801 1.00 0.00 H ATOM 1598 HH22 ARG A 188 11.566 11.594 1.698 1.00 0.00 H ATOM 1599 HH21 ARG A 188 11.149 10.730 0.173 1.00 0.00 H ATOM 1600 H ARG A 188 7.508 5.051 -0.923 1.00 0.00 H ATOM 1601 N ASP A 189 5.993 3.016 2.387 1.00 13.24 N ATOM 1602 CA ASP A 189 4.662 2.460 2.731 1.00 12.95 C ATOM 1603 C ASP A 189 4.647 1.657 3.996 1.00 12.86 C ATOM 1604 O ASP A 189 5.687 1.103 4.416 1.00 13.01 O ATOM 1605 CB ASP A 189 4.273 1.514 1.590 1.00 12.27 C ATOM 1606 CG ASP A 189 2.789 1.283 1.450 1.00 12.80 C ATOM 1607 OD1 ASP A 189 1.950 1.936 2.120 1.00 12.92 O ATOM 1608 OD2 ASP A 189 2.464 0.413 0.565 1.00 12.16 O ATOM 1609 H ASP A 189 6.823 2.722 2.940 1.00 0.00 H ATOM 1610 N SER A 190 3.447 1.498 4.555 1.00 13.54 N ATOM 1611 CA SER A 190 3.192 0.426 5.497 1.00 13.67 C ATOM 1612 C SER A 190 3.277 -0.909 4.783 1.00 14.49 C ATOM 1613 O SER A 190 3.052 -1.008 3.600 1.00 15.27 O ATOM 1614 CB SER A 190 1.853 0.597 6.195 1.00 13.62 C ATOM 1615 OG SER A 190 0.813 1.005 5.342 1.00 14.63 O ATOM 1616 HG SER A 190 1.045 1.877 4.935 1.00 0.00 H ATOM 1617 H SER A 190 2.679 2.156 4.311 1.00 0.00 H ATOM 1618 N CYS A 191 3.617 -1.939 5.527 1.00 14.54 N ATOM 1619 CA CYS A 191 3.648 -3.267 5.025 1.00 14.99 C ATOM 1620 C CYS A 191 3.326 -4.299 6.146 1.00 14.24 C ATOM 1621 O CYS A 191 2.844 -3.956 7.244 1.00 13.08 O ATOM 1622 CB CYS A 191 5.018 -3.509 4.311 1.00 14.76 C ATOM 1623 SG CYS A 191 5.013 -4.878 3.083 1.00 14.99 S ATOM 1624 H CYS A 191 3.873 -1.774 6.521 1.00 0.00 H ATOM 1625 N LYS A 192 3.608 -5.566 5.854 1.00 13.58 N ATOM 1626 CA LYS A 192 3.293 -6.688 6.739 1.00 12.88 C ATOM 1627 C LYS A 192 3.953 -6.407 8.076 1.00 13.41 C ATOM 1628 O LYS A 192 5.133 -6.037 8.102 1.00 12.93 O ATOM 1629 CB LYS A 192 3.892 -7.941 6.166 1.00 13.50 C ATOM 1630 CG LYS A 192 3.454 -9.235 6.802 1.00 14.73 C ATOM 1631 CD LYS A 192 4.148 -10.370 6.048 1.00 15.51 C ATOM 1632 CE LYS A 192 3.754 -11.764 6.502 1.00 16.89 C ATOM 1633 NZ LYS A 192 2.412 -12.189 6.019 1.00 17.77 N ATOM 1634 HZ1 LYS A 192 1.692 -11.529 6.376 1.00 0.00 H ATOM 1635 HZ2 LYS A 192 2.402 -12.185 4.979 1.00 0.00 H ATOM 1636 HZ3 LYS A 192 2.208 -13.148 6.365 1.00 0.00 H ATOM 1637 H LYS A 192 4.077 -5.770 4.949 1.00 0.00 H ATOM 1638 N GLY A 193 3.175 -6.555 9.146 1.00 12.76 N ATOM 1639 CA GLY A 193 3.633 -6.321 10.470 1.00 13.36 C ATOM 1640 C GLY A 193 3.394 -4.919 10.935 1.00 13.90 C ATOM 1641 O GLY A 193 3.568 -4.675 12.126 1.00 13.92 O ATOM 1642 H GLY A 193 2.189 -6.855 9.006 1.00 0.00 H ATOM 1643 N ASP A 194 3.056 -4.002 10.002 1.00 13.79 N ATOM 1644 CA ASP A 194 2.657 -2.634 10.338 1.00 13.37 C ATOM 1645 C ASP A 194 1.183 -2.497 10.627 1.00 13.04 C ATOM 1646 O ASP A 194 0.760 -1.520 11.258 1.00 12.23 O ATOM 1647 CB ASP A 194 3.088 -1.643 9.267 1.00 13.57 C ATOM 1648 CG ASP A 194 4.578 -1.601 9.121 1.00 13.94 C ATOM 1649 OD1 ASP A 194 5.300 -1.639 10.161 1.00 13.16 O ATOM 1650 OD2 ASP A 194 5.044 -1.601 7.976 1.00 14.29 O ATOM 1651 H ASP A 194 3.080 -4.280 9.000 1.00 0.00 H ATOM 1652 N SER A 195 0.426 -3.512 10.207 1.00 13.38 N ATOM 1653 CA SER A 195 -1.006 -3.588 10.506 1.00 13.30 C ATOM 1654 C SER A 195 -1.307 -3.318 12.001 1.00 12.43 C ATOM 1655 O SER A 195 -0.581 -3.799 12.935 1.00 11.42 O ATOM 1656 CB SER A 195 -1.520 -4.938 9.997 1.00 13.47 C ATOM 1657 OG SER A 195 -0.657 -5.943 10.479 1.00 14.95 O ATOM 1658 HG SER A 195 -0.656 -5.928 11.469 1.00 0.00 H ATOM 1659 H SER A 195 0.866 -4.272 9.650 1.00 0.00 H ATOM 1660 N GLY A 196 -2.286 -2.429 12.236 1.00 10.95 N ATOM 1661 CA GLY A 196 -2.707 -2.134 13.572 1.00 10.77 C ATOM 1662 C GLY A 196 -2.050 -0.921 14.173 1.00 11.35 C ATOM 1663 O GLY A 196 -2.452 -0.472 15.229 1.00 12.31 O ATOM 1664 H GLY A 196 -2.745 -1.948 11.436 1.00 0.00 H ATOM 1665 N GLY A 197 -1.079 -0.348 13.457 1.00 11.68 N ATOM 1666 CA GLY A 197 -0.269 0.742 13.937 1.00 11.48 C ATOM 1667 C GLY A 197 -0.894 2.055 13.603 1.00 12.03 C ATOM 1668 O GLY A 197 -1.904 2.088 12.929 1.00 11.02 O ATOM 1669 H GLY A 197 -0.898 -0.709 12.499 1.00 0.00 H ATOM 1670 N PRO A 198 -0.251 3.158 14.038 1.00 11.93 N ATOM 1671 CA PRO A 198 -0.898 4.434 14.013 1.00 13.32 C ATOM 1672 C PRO A 198 -0.588 5.119 12.708 1.00 13.47 C ATOM 1673 O PRO A 198 0.502 4.933 12.155 1.00 14.11 O ATOM 1674 CB PRO A 198 -0.193 5.191 15.156 1.00 13.44 C ATOM 1675 CG PRO A 198 1.201 4.608 15.127 1.00 13.68 C ATOM 1676 CD PRO A 198 0.919 3.159 14.927 1.00 13.21 C ATOM 1677 N LEU A 199 -1.576 5.808 12.174 1.00 13.06 N ATOM 1678 CA LEU A 199 -1.351 6.870 11.216 1.00 13.90 C ATOM 1679 C LEU A 199 -1.674 8.175 11.913 1.00 13.32 C ATOM 1680 O LEU A 199 -2.828 8.424 12.238 1.00 13.70 O ATOM 1681 CB LEU A 199 -2.208 6.708 10.019 1.00 14.77 C ATOM 1682 CG LEU A 199 -1.993 7.808 8.982 1.00 17.27 C ATOM 1683 CD1 LEU A 199 -0.824 7.502 8.071 1.00 17.97 C ATOM 1684 CD2 LEU A 199 -3.267 7.948 8.165 1.00 19.68 C ATOM 1685 H LEU A 199 -2.552 5.581 12.451 1.00 0.00 H ATOM 1686 N VAL A 200 -0.663 8.992 12.144 1.00 14.77 N ATOM 1687 CA VAL A 200 -0.752 10.167 13.046 1.00 14.44 C ATOM 1688 C VAL A 200 -0.636 11.409 12.162 1.00 15.84 C ATOM 1689 O VAL A 200 0.292 11.549 11.376 1.00 15.41 O ATOM 1690 CB VAL A 200 0.306 10.167 14.142 1.00 15.81 C ATOM 1691 CG1 VAL A 200 0.160 11.359 15.072 1.00 15.78 C ATOM 1692 CG2 VAL A 200 0.216 8.879 14.992 1.00 15.44 C ATOM 1693 H VAL A 200 0.243 8.802 11.669 1.00 0.00 H ATOM 1694 N CYS A 201 -1.633 12.264 12.291 1.00 16.85 N ATOM 1695 CA CYS A 201 -1.736 13.451 11.481 1.00 18.23 C ATOM 1696 C CYS A 201 -2.129 14.568 12.435 1.00 20.62 C ATOM 1697 O CYS A 201 -3.068 14.392 13.255 1.00 20.83 O ATOM 1698 CB CYS A 201 -2.841 13.353 10.426 1.00 16.65 C ATOM 1699 SG CYS A 201 -2.999 11.881 9.448 1.00 15.72 S ATOM 1700 H CYS A 201 -2.369 12.075 13.001 1.00 0.00 H ATOM 1701 N GLY A 202 -1.406 15.688 12.315 1.00 21.76 N ATOM 1702 CA GLY A 202 -1.566 16.851 13.176 1.00 22.28 C ATOM 1703 C GLY A 202 -1.645 16.475 14.642 1.00 22.10 C ATOM 1704 O GLY A 202 -2.558 16.929 15.333 1.00 23.73 O ATOM 1705 H GLY A 202 -0.689 15.730 11.563 1.00 0.00 H ATOM 1706 N GLY A 207 -0.707 15.624 15.080 1.00 19.54 N ATOM 1707 CA GLY A 207 -0.542 15.216 16.444 1.00 19.81 C ATOM 1708 C GLY A 207 -1.584 14.300 17.072 1.00 20.31 C ATOM 1709 O GLY A 207 -1.609 14.103 18.296 1.00 18.67 O ATOM 1710 H GLY A 207 -0.049 15.230 14.377 1.00 0.00 H ATOM 1711 N VAL A 208 -2.480 13.765 16.250 1.00 17.40 N ATOM 1712 CA VAL A 208 -3.622 13.051 16.737 1.00 17.52 C ATOM 1713 C VAL A 208 -3.700 11.767 15.939 1.00 15.82 C ATOM 1714 O VAL A 208 -3.343 11.767 14.768 1.00 16.26 O ATOM 1715 CB VAL A 208 -4.887 13.920 16.483 1.00 20.27 C ATOM 1716 CG1 VAL A 208 -6.139 13.099 16.443 1.00 21.64 C ATOM 1717 CG2 VAL A 208 -4.995 15.034 17.516 1.00 19.85 C ATOM 1718 H VAL A 208 -2.348 13.868 15.223 1.00 0.00 H ATOM 1719 N LEU A 209 -4.194 10.689 16.566 1.00 15.14 N ATOM 1720 CA LEU A 209 -4.429 9.428 15.831 1.00 14.40 C ATOM 1721 C LEU A 209 -5.558 9.627 14.838 1.00 14.31 C ATOM 1722 O LEU A 209 -6.694 9.919 15.234 1.00 13.99 O ATOM 1723 CB LEU A 209 -4.749 8.298 16.787 1.00 14.21 C ATOM 1724 CG LEU A 209 -4.857 6.967 16.038 1.00 14.45 C ATOM 1725 CD1 LEU A 209 -3.559 6.543 15.382 1.00 13.57 C ATOM 1726 CD2 LEU A 209 -5.329 5.925 17.006 1.00 15.32 C ATOM 1727 H LEU A 209 -4.414 10.741 17.581 1.00 0.00 H ATOM 1728 N GLU A 210 -5.245 9.506 13.544 1.00 13.72 N ATOM 1729 CA GLU A 210 -6.251 9.670 12.507 1.00 13.47 C ATOM 1730 C GLU A 210 -6.731 8.377 11.948 1.00 14.01 C ATOM 1731 O GLU A 210 -7.911 8.205 11.709 1.00 15.56 O ATOM 1732 CB GLU A 210 -5.692 10.549 11.378 1.00 14.85 C ATOM 1733 CG GLU A 210 -6.729 10.934 10.364 1.00 14.91 C ATOM 1734 CD GLU A 210 -7.713 11.997 10.890 1.00 16.22 C ATOM 1735 OE1 GLU A 210 -8.814 12.087 10.315 1.00 18.82 O ATOM 1736 OE2 GLU A 210 -7.398 12.782 11.793 1.00 16.02 O ATOM 1737 H GLU A 210 -4.264 9.291 13.274 1.00 0.00 H ATOM 1738 N GLY A 211 -5.800 7.456 11.727 1.00 13.96 N ATOM 1739 CA GLY A 211 -6.114 6.167 11.201 1.00 12.97 C ATOM 1740 C GLY A 211 -5.251 5.073 11.825 1.00 12.45 C ATOM 1741 O GLY A 211 -4.274 5.335 12.542 1.00 14.03 O ATOM 1742 H GLY A 211 -4.808 7.682 11.945 1.00 0.00 H ATOM 1743 N VAL A 212 -5.703 3.851 11.605 1.00 11.93 N ATOM 1744 CA VAL A 212 -5.059 2.622 12.017 1.00 11.91 C ATOM 1745 C VAL A 212 -4.752 1.866 10.772 1.00 11.74 C ATOM 1746 O VAL A 212 -5.639 1.616 9.956 1.00 9.92 O ATOM 1747 CB VAL A 212 -6.014 1.772 12.885 1.00 11.86 C ATOM 1748 CG1 VAL A 212 -5.396 0.407 13.307 1.00 12.32 C ATOM 1749 CG2 VAL A 212 -6.389 2.565 14.114 1.00 11.96 C ATOM 1750 H VAL A 212 -6.602 3.765 11.090 1.00 0.00 H ATOM 1751 N VAL A 213 -3.490 1.481 10.630 1.00 11.69 N ATOM 1752 CA VAL A 213 -3.081 0.687 9.474 1.00 11.57 C ATOM 1753 C VAL A 213 -4.008 -0.565 9.363 1.00 11.69 C ATOM 1754 O VAL A 213 -4.204 -1.294 10.358 1.00 9.95 O ATOM 1755 CB VAL A 213 -1.605 0.231 9.615 1.00 11.50 C ATOM 1756 CG1 VAL A 213 -1.091 -0.311 8.267 1.00 11.61 C ATOM 1757 CG2 VAL A 213 -0.671 1.357 10.044 1.00 11.17 C ATOM 1758 H VAL A 213 -2.786 1.747 11.348 1.00 0.00 H ATOM 1759 N THR A 214 -4.609 -0.779 8.188 1.00 11.08 N ATOM 1760 CA THR A 214 -5.354 -1.974 7.960 1.00 12.09 C ATOM 1761 C THR A 214 -4.471 -3.247 8.026 1.00 12.36 C ATOM 1762 O THR A 214 -3.212 -3.180 8.024 1.00 12.38 O ATOM 1763 CB THR A 214 -6.072 -1.965 6.655 1.00 12.24 C ATOM 1764 OG1 THR A 214 -5.112 -1.750 5.595 1.00 12.08 O ATOM 1765 CG2 THR A 214 -7.175 -0.949 6.721 1.00 12.20 C ATOM 1766 HG1 THR A 214 -4.658 -0.882 5.734 1.00 0.00 H ATOM 1767 H THR A 214 -4.533 -0.068 7.433 1.00 0.00 H ATOM 1768 N SER A 215 -5.149 -4.384 8.125 1.00 13.44 N ATOM 1769 CA SER A 215 -4.491 -5.649 8.441 1.00 12.93 C ATOM 1770 C SER A 215 -4.909 -6.743 7.458 1.00 13.95 C ATOM 1771 O SER A 215 -4.653 -7.943 7.676 1.00 15.30 O ATOM 1772 CB SER A 215 -4.824 -5.984 9.853 1.00 12.33 C ATOM 1773 OG SER A 215 -6.173 -6.423 9.996 1.00 13.30 O ATOM 1774 HG SER A 215 -6.786 -5.706 9.696 1.00 0.00 H ATOM 1775 H SER A 215 -6.178 -4.374 7.973 1.00 0.00 H ATOM 1776 N GLY A 216 -5.513 -6.347 6.348 1.00 14.17 N ATOM 1777 CA GLY A 216 -5.599 -7.237 5.195 1.00 15.28 C ATOM 1778 C GLY A 216 -4.289 -7.242 4.437 1.00 16.79 C ATOM 1779 O GLY A 216 -3.524 -6.240 4.462 1.00 16.96 O ATOM 1780 H GLY A 216 -5.929 -5.395 6.298 1.00 0.00 H ATOM 1781 N SER A 217 -3.975 -8.378 3.808 1.00 15.38 N ATOM 1782 CA SER A 217 -2.800 -8.423 2.947 1.00 16.17 C ATOM 1783 C SER A 217 -3.039 -7.450 1.823 1.00 15.86 C ATOM 1784 O SER A 217 -4.157 -7.375 1.321 1.00 14.33 O ATOM 1785 CB SER A 217 -2.565 -9.811 2.353 1.00 16.44 C ATOM 1786 OG SER A 217 -2.523 -10.804 3.370 1.00 17.22 O ATOM 1787 HG SER A 217 -2.370 -11.691 2.958 1.00 0.00 H ATOM 1788 H SER A 217 -4.565 -9.225 3.932 1.00 0.00 H ATOM 1789 N ARG A 218 -1.973 -6.747 1.418 1.00 13.88 N ATOM 1790 CA ARG A 218 -2.024 -5.826 0.293 1.00 14.57 C ATOM 1791 C ARG A 218 -0.588 -5.591 -0.209 1.00 15.00 C ATOM 1792 O ARG A 218 0.386 -5.913 0.524 1.00 11.61 O ATOM 1793 CB ARG A 218 -2.617 -4.493 0.755 1.00 14.32 C ATOM 1794 CG ARG A 218 -1.894 -3.936 2.009 1.00 13.36 C ATOM 1795 CD ARG A 218 -2.197 -2.480 2.342 1.00 13.21 C ATOM 1796 NE ARG A 218 -1.721 -1.546 1.342 1.00 12.76 N ATOM 1797 CZ ARG A 218 -0.519 -0.964 1.321 1.00 13.40 C ATOM 1798 NH1 ARG A 218 0.378 -1.172 2.292 1.00 12.22 N ATOM 1799 NH2 ARG A 218 -0.244 -0.100 0.359 1.00 14.00 N ATOM 1800 HE ARG A 218 -2.375 -1.307 0.570 1.00 0.00 H ATOM 1801 HH12 ARG A 218 1.307 -0.706 2.251 1.00 0.00 H ATOM 1802 HH11 ARG A 218 0.146 -1.800 3.088 1.00 0.00 H ATOM 1803 HH22 ARG A 218 0.687 0.363 0.326 1.00 0.00 H ATOM 1804 HH21 ARG A 218 -0.958 0.117 -0.365 1.00 0.00 H ATOM 1805 H ARG A 218 -1.074 -6.864 1.928 1.00 0.00 H ATOM 1806 N VAL A 219 -0.442 -5.076 -1.434 1.00 13.93 N ATOM 1807 CA VAL A 219 0.901 -4.902 -1.987 1.00 15.75 C ATOM 1808 C VAL A 219 1.496 -3.737 -1.266 1.00 13.00 C ATOM 1809 O VAL A 219 0.773 -2.760 -1.056 1.00 13.86 O ATOM 1810 CB VAL A 219 1.022 -4.288 -3.405 1.00 18.47 C ATOM 1811 CG1 VAL A 219 2.095 -4.978 -4.219 1.00 18.92 C ATOM 1812 CG2 VAL A 219 -0.285 -3.909 -4.088 1.00 19.05 C ATOM 1813 H VAL A 219 -1.277 -4.801 -1.990 1.00 0.00 H ATOM 1814 N CYS A 220 2.791 -3.777 -1.017 1.00 12.33 N ATOM 1815 CA CYS A 220 3.519 -2.673 -0.379 1.00 13.05 C ATOM 1816 C CYS A 220 4.479 -1.987 -1.359 1.00 14.07 C ATOM 1817 O CYS A 220 5.248 -2.669 -2.086 1.00 14.80 O ATOM 1818 CB CYS A 220 4.326 -3.197 0.804 1.00 13.93 C ATOM 1819 SG CYS A 220 3.461 -4.368 1.859 1.00 14.63 S ATOM 1820 H CYS A 220 3.321 -4.631 -1.285 1.00 0.00 H ATOM 1821 N GLY A 221 4.460 -0.644 -1.355 1.00 13.39 N ATOM 1822 CA GLY A 221 5.404 0.159 -2.023 1.00 12.56 C ATOM 1823 C GLY A 221 5.054 0.495 -3.458 1.00 12.99 C ATOM 1824 O GLY A 221 5.845 1.159 -4.142 1.00 14.15 O ATOM 1825 H GLY A 221 3.701 -0.168 -0.826 1.00 0.00 H ATOM 1826 N ASN A 222 3.887 0.039 -3.899 1.00 14.72 N ATOM 1827 CA ASN A 222 3.391 0.301 -5.247 1.00 16.65 C ATOM 1828 C ASN A 222 2.527 1.504 -5.224 1.00 16.19 C ATOM 1829 O ASN A 222 1.429 1.502 -4.685 1.00 15.25 O ATOM 1830 CB ASN A 222 2.640 -0.913 -5.788 1.00 16.42 C ATOM 1831 CG ASN A 222 2.119 -0.714 -7.186 1.00 17.55 C ATOM 1832 OD1 ASN A 222 2.101 0.404 -7.692 1.00 17.71 O ATOM 1833 ND2 ASN A 222 1.600 -1.800 -7.798 1.00 18.55 N ATOM 1834 HD22 ASN A 222 1.638 -2.728 -7.330 1.00 0.00 H ATOM 1835 HD21 ASN A 222 1.162 -1.708 -8.737 1.00 0.00 H ATOM 1836 H ASN A 222 3.301 -0.530 -3.256 1.00 0.00 H ATOM 1837 N ARG A 223 3.022 2.562 -5.863 1.00 18.55 N ATOM 1838 CA ARG A 223 2.320 3.847 -5.871 1.00 19.76 C ATOM 1839 C ARG A 223 0.906 3.772 -6.438 1.00 18.87 C ATOM 1840 O ARG A 223 0.077 4.628 -6.129 1.00 19.15 O ATOM 1841 CB ARG A 223 3.142 4.897 -6.612 1.00 22.70 C ATOM 1842 CG ARG A 223 3.428 4.620 -8.081 1.00 26.05 C ATOM 1843 CD ARG A 223 3.891 5.872 -8.835 1.00 30.67 C ATOM 1844 NE ARG A 223 3.234 5.882 -10.149 1.00 35.62 N ATOM 1845 CZ ARG A 223 2.847 6.966 -10.835 1.00 43.94 C ATOM 1846 NH1 ARG A 223 3.055 8.199 -10.365 1.00 44.69 N ATOM 1847 NH2 ARG A 223 2.256 6.817 -12.030 1.00 45.25 N ATOM 1848 HE ARG A 223 3.052 4.958 -10.590 1.00 0.00 H ATOM 1849 HH12 ARG A 223 2.745 9.025 -10.916 1.00 0.00 H ATOM 1850 HH11 ARG A 223 3.527 8.333 -9.448 1.00 0.00 H ATOM 1851 HH22 ARG A 223 1.953 7.654 -12.568 1.00 0.00 H ATOM 1852 HH21 ARG A 223 2.101 5.865 -12.418 1.00 0.00 H ATOM 1853 H ARG A 223 3.927 2.474 -6.368 1.00 0.00 H ATOM 1854 N LYS A 223A 0.612 2.757 -7.238 1.00 18.44 N ATOM 1855 CA LYS A 223A -0.764 2.561 -7.791 1.00 19.95 C ATOM 1856 C LYS A 223A -1.731 1.896 -6.849 1.00 16.93 C ATOM 1857 O LYS A 223A -2.916 1.799 -7.172 1.00 15.13 O ATOM 1858 CB LYS A 223A -0.718 1.682 -9.059 1.00 22.94 C ATOM 1859 CG LYS A 223A 0.301 2.118 -10.092 1.00 24.87 C ATOM 1860 CD LYS A 223A -0.288 3.115 -11.086 1.00 29.24 C ATOM 1861 CE LYS A 223A -0.556 2.444 -12.429 1.00 32.94 C ATOM 1862 NZ LYS A 223A -1.529 3.216 -13.248 1.00 35.89 N ATOM 1863 HZ1 LYS A 223A -2.430 3.291 -12.734 1.00 0.00 H ATOM 1864 HZ2 LYS A 223A -1.151 4.168 -13.428 1.00 0.00 H ATOM 1865 HZ3 LYS A 223A -1.684 2.727 -14.153 1.00 0.00 H ATOM 1866 H LYS A 223A 1.359 2.078 -7.488 1.00 0.00 H ATOM 1867 N LYS A 224 -1.216 1.366 -5.726 1.00 14.53 N ATOM 1868 CA LYS A 224 -2.021 0.684 -4.737 1.00 14.78 C ATOM 1869 C LYS A 224 -1.752 1.301 -3.334 1.00 13.09 C ATOM 1870 O LYS A 224 -1.031 0.704 -2.520 1.00 12.76 O ATOM 1871 CB LYS A 224 -1.713 -0.846 -4.716 1.00 16.11 C ATOM 1872 CG LYS A 224 -2.059 -1.492 -6.057 1.00 18.52 C ATOM 1873 CD LYS A 224 -3.542 -1.711 -6.135 1.00 20.13 C ATOM 1874 CE LYS A 224 -3.844 -2.479 -7.384 1.00 24.77 C ATOM 1875 NZ LYS A 224 -4.233 -1.479 -8.389 1.00 26.46 N ATOM 1876 HZ1 LYS A 224 -5.070 -0.960 -8.054 1.00 0.00 H ATOM 1877 HZ2 LYS A 224 -3.447 -0.814 -8.537 1.00 0.00 H ATOM 1878 HZ3 LYS A 224 -4.456 -1.958 -9.285 1.00 0.00 H ATOM 1879 H LYS A 224 -0.193 1.450 -5.561 1.00 0.00 H ATOM 1880 N PRO A 225 -2.312 2.482 -3.076 1.00 11.16 N ATOM 1881 CA PRO A 225 -2.119 3.198 -1.811 1.00 11.72 C ATOM 1882 C PRO A 225 -2.348 2.370 -0.569 1.00 11.37 C ATOM 1883 O PRO A 225 -3.126 1.425 -0.558 1.00 10.91 O ATOM 1884 CB PRO A 225 -3.193 4.296 -1.865 1.00 12.08 C ATOM 1885 CG PRO A 225 -3.442 4.475 -3.345 1.00 12.00 C ATOM 1886 CD PRO A 225 -3.365 3.122 -3.892 1.00 11.40 C ATOM 1887 N GLY A 226 -1.673 2.766 0.479 1.00 12.22 N ATOM 1888 CA GLY A 226 -1.965 2.270 1.802 1.00 13.25 C ATOM 1889 C GLY A 226 -3.356 2.654 2.232 1.00 13.41 C ATOM 1890 O GLY A 226 -3.924 3.722 1.840 1.00 13.47 O ATOM 1891 H GLY A 226 -0.905 3.457 0.355 1.00 0.00 H ATOM 1892 N ILE A 227 -3.929 1.749 3.007 1.00 13.15 N ATOM 1893 CA ILE A 227 -5.239 1.927 3.511 1.00 12.12 C ATOM 1894 C ILE A 227 -5.188 1.912 5.048 1.00 11.97 C ATOM 1895 O ILE A 227 -4.525 1.075 5.691 1.00 11.67 O ATOM 1896 CB ILE A 227 -6.180 0.868 2.906 1.00 13.15 C ATOM 1897 CG1 ILE A 227 -5.986 0.755 1.399 1.00 12.90 C ATOM 1898 CG2 ILE A 227 -7.624 1.164 3.210 1.00 13.09 C ATOM 1899 CD1 ILE A 227 -6.853 -0.360 0.792 1.00 13.30 C ATOM 1900 H ILE A 227 -3.404 0.885 3.252 1.00 0.00 H ATOM 1901 N TYR A 228 -5.927 2.858 5.634 1.00 10.65 N ATOM 1902 CA TYR A 228 -6.001 3.049 7.057 1.00 11.38 C ATOM 1903 C TYR A 228 -7.447 3.271 7.461 1.00 11.85 C ATOM 1904 O TYR A 228 -8.204 3.962 6.790 1.00 13.11 O ATOM 1905 CB TYR A 228 -5.156 4.304 7.447 1.00 10.86 C ATOM 1906 CG TYR A 228 -3.800 4.221 6.841 1.00 11.20 C ATOM 1907 CD1 TYR A 228 -3.553 4.552 5.492 1.00 11.17 C ATOM 1908 CD2 TYR A 228 -2.736 3.700 7.578 1.00 10.95 C ATOM 1909 CE1 TYR A 228 -2.294 4.424 4.952 1.00 10.69 C ATOM 1910 CE2 TYR A 228 -1.519 3.534 7.012 1.00 11.38 C ATOM 1911 CZ TYR A 228 -1.285 3.892 5.733 1.00 11.39 C ATOM 1912 OH TYR A 228 -0.016 3.706 5.265 1.00 12.29 O ATOM 1913 HH TYR A 228 0.218 2.746 5.323 1.00 0.00 H ATOM 1914 H TYR A 228 -6.481 3.493 5.025 1.00 0.00 H ATOM 1915 N THR A 229 -7.813 2.717 8.619 1.00 12.23 N ATOM 1916 CA THR A 229 -9.130 2.859 9.142 1.00 11.20 C ATOM 1917 C THR A 229 -9.293 4.152 9.877 1.00 10.90 C ATOM 1918 O THR A 229 -8.484 4.505 10.712 1.00 9.58 O ATOM 1919 CB THR A 229 -9.495 1.659 10.033 1.00 12.17 C ATOM 1920 OG1 THR A 229 -9.387 0.462 9.271 1.00 11.45 O ATOM 1921 CG2 THR A 229 -10.862 1.792 10.490 1.00 12.05 C ATOM 1922 HG1 THR A 229 -10.007 0.506 8.500 1.00 0.00 H ATOM 1923 H THR A 229 -7.115 2.164 9.156 1.00 0.00 H ATOM 1924 N ARG A 230 -10.339 4.893 9.516 1.00 10.03 N ATOM 1925 CA ARG A 230 -10.582 6.202 10.132 1.00 10.97 C ATOM 1926 C ARG A 230 -11.171 6.061 11.529 1.00 10.81 C ATOM 1927 O ARG A 230 -12.311 5.642 11.710 1.00 10.78 O ATOM 1928 CB ARG A 230 -11.485 7.087 9.225 1.00 10.88 C ATOM 1929 CG ARG A 230 -10.750 7.543 7.962 1.00 10.96 C ATOM 1930 CD ARG A 230 -11.727 8.323 7.058 1.00 12.16 C ATOM 1931 NE ARG A 230 -12.033 9.534 7.756 1.00 12.32 N ATOM 1932 CZ ARG A 230 -13.185 9.825 8.330 1.00 13.25 C ATOM 1933 NH1 ARG A 230 -14.281 9.019 8.195 1.00 13.10 N ATOM 1934 NH2 ARG A 230 -13.224 10.916 9.076 1.00 14.36 N ATOM 1935 HE ARG A 230 -11.280 10.249 7.816 1.00 0.00 H ATOM 1936 HH12 ARG A 230 -15.175 9.275 8.660 1.00 0.00 H ATOM 1937 HH11 ARG A 230 -14.220 8.150 7.628 1.00 0.00 H ATOM 1938 HH22 ARG A 230 -14.108 11.190 9.551 1.00 0.00 H ATOM 1939 HH21 ARG A 230 -12.371 11.500 9.188 1.00 0.00 H ATOM 1940 H ARG A 230 -10.992 4.539 8.788 1.00 0.00 H ATOM 1941 N VAL A 231 -10.388 6.437 12.545 1.00 11.63 N ATOM 1942 CA VAL A 231 -10.863 6.207 13.928 1.00 11.91 C ATOM 1943 C VAL A 231 -12.067 7.030 14.261 1.00 11.83 C ATOM 1944 O VAL A 231 -12.894 6.568 15.007 1.00 12.21 O ATOM 1945 CB VAL A 231 -9.768 6.361 14.977 1.00 11.21 C ATOM 1946 CG1 VAL A 231 -8.659 5.381 14.680 1.00 11.71 C ATOM 1947 CG2 VAL A 231 -9.232 7.775 15.025 1.00 12.55 C ATOM 1948 H VAL A 231 -9.465 6.882 12.368 1.00 0.00 H ATOM 1949 N ALA A 232 -12.212 8.228 13.690 1.00 13.12 N ATOM 1950 CA ALA A 232 -13.361 9.051 14.011 1.00 13.17 C ATOM 1951 C ALA A 232 -14.635 8.338 13.580 1.00 13.54 C ATOM 1952 O ALA A 232 -15.670 8.600 14.131 1.00 11.59 O ATOM 1953 CB ALA A 232 -13.314 10.388 13.326 1.00 13.98 C ATOM 1954 H ALA A 232 -11.500 8.571 13.014 1.00 0.00 H ATOM 1955 N SER A 233 -14.537 7.536 12.533 1.00 13.17 N ATOM 1956 CA SER A 233 -15.708 6.838 11.951 1.00 13.47 C ATOM 1957 C SER A 233 -16.192 5.757 12.907 1.00 13.07 C ATOM 1958 O SER A 233 -17.283 5.191 12.763 1.00 13.80 O ATOM 1959 CB SER A 233 -15.344 6.281 10.549 1.00 12.94 C ATOM 1960 OG SER A 233 -16.474 5.823 9.815 1.00 12.87 O ATOM 1961 HG SER A 233 -17.107 6.573 9.684 1.00 0.00 H ATOM 1962 H SER A 233 -13.602 7.389 12.101 1.00 0.00 H ATOM 1963 N TYR A 234 -15.330 5.419 13.839 1.00 13.76 N ATOM 1964 CA TYR A 234 -15.559 4.340 14.742 1.00 13.42 C ATOM 1965 C TYR A 234 -15.611 4.843 16.214 1.00 14.61 C ATOM 1966 O TYR A 234 -15.444 4.037 17.149 1.00 12.39 O ATOM 1967 CB TYR A 234 -14.443 3.277 14.549 1.00 12.64 C ATOM 1968 CG TYR A 234 -14.742 2.532 13.267 1.00 12.46 C ATOM 1969 CD1 TYR A 234 -15.747 1.603 13.252 1.00 11.92 C ATOM 1970 CD2 TYR A 234 -14.077 2.812 12.080 1.00 11.99 C ATOM 1971 CE1 TYR A 234 -16.093 0.966 12.087 1.00 12.74 C ATOM 1972 CE2 TYR A 234 -14.368 2.146 10.912 1.00 12.20 C ATOM 1973 CZ TYR A 234 -15.368 1.205 10.918 1.00 12.47 C ATOM 1974 OH TYR A 234 -15.761 0.532 9.783 1.00 13.06 O ATOM 1975 HH TYR A 234 -16.492 -0.096 10.010 1.00 0.00 H ATOM 1976 H TYR A 234 -14.446 5.960 13.921 1.00 0.00 H ATOM 1977 N ALA A 235 -15.864 6.130 16.402 1.00 13.34 N ATOM 1978 CA ALA A 235 -15.922 6.691 17.762 1.00 15.17 C ATOM 1979 C ALA A 235 -16.854 5.979 18.724 1.00 15.58 C ATOM 1980 O ALA A 235 -16.429 5.640 19.849 1.00 15.38 O ATOM 1981 CB ALA A 235 -16.253 8.171 17.710 1.00 16.25 C ATOM 1982 H ALA A 235 -16.023 6.749 15.582 1.00 0.00 H ATOM 1983 N ALA A 236 -18.108 5.726 18.309 1.00 14.51 N ATOM 1984 CA ALA A 236 -19.072 5.017 19.155 1.00 14.12 C ATOM 1985 C ALA A 236 -18.552 3.631 19.564 1.00 13.90 C ATOM 1986 O ALA A 236 -18.674 3.235 20.710 1.00 13.82 O ATOM 1987 CB ALA A 236 -20.438 4.896 18.467 1.00 13.58 C ATOM 1988 H ALA A 236 -18.401 6.042 17.363 1.00 0.00 H ATOM 1989 N TRP A 237 -18.003 2.879 18.629 1.00 13.44 N ATOM 1990 CA TRP A 237 -17.426 1.606 18.950 1.00 15.31 C ATOM 1991 C TRP A 237 -16.330 1.771 19.982 1.00 16.01 C ATOM 1992 O TRP A 237 -16.373 1.167 21.059 1.00 19.86 O ATOM 1993 CB TRP A 237 -16.858 0.902 17.699 1.00 15.07 C ATOM 1994 CG TRP A 237 -16.399 -0.473 18.030 1.00 16.01 C ATOM 1995 CD1 TRP A 237 -17.177 -1.555 18.357 1.00 16.24 C ATOM 1996 CD2 TRP A 237 -15.055 -0.898 18.143 1.00 15.81 C ATOM 1997 NE1 TRP A 237 -16.392 -2.606 18.662 1.00 18.59 N ATOM 1998 CE2 TRP A 237 -15.081 -2.255 18.491 1.00 16.55 C ATOM 1999 CE3 TRP A 237 -13.835 -0.287 17.896 1.00 15.84 C ATOM 2000 CZ2 TRP A 237 -13.923 -3.009 18.648 1.00 16.33 C ATOM 2001 CZ3 TRP A 237 -12.670 -1.041 18.054 1.00 16.59 C ATOM 2002 CH2 TRP A 237 -12.729 -2.372 18.438 1.00 16.41 C ATOM 2003 HE1 TRP A 237 -16.729 -3.538 18.978 1.00 0.00 H ATOM 2004 H TRP A 237 -17.989 3.214 17.645 1.00 0.00 H ATOM 2005 N ILE A 238 -15.364 2.639 19.674 1.00 16.10 N ATOM 2006 CA ILE A 238 -14.201 2.792 20.564 1.00 15.43 C ATOM 2007 C ILE A 238 -14.678 3.216 21.952 1.00 18.61 C ATOM 2008 O ILE A 238 -14.325 2.571 22.966 1.00 16.94 O ATOM 2009 CB ILE A 238 -13.143 3.752 19.965 1.00 14.70 C ATOM 2010 CG1 ILE A 238 -12.513 3.107 18.727 1.00 13.30 C ATOM 2011 CG2 ILE A 238 -12.058 4.108 20.998 1.00 14.40 C ATOM 2012 CD1 ILE A 238 -11.821 4.073 17.799 1.00 13.46 C ATOM 2013 H ILE A 238 -15.433 3.207 18.806 1.00 0.00 H ATOM 2014 N ASP A 239 -15.495 4.275 22.007 1.00 17.57 N ATOM 2015 CA ASP A 239 -16.070 4.774 23.284 1.00 18.47 C ATOM 2016 C ASP A 239 -16.772 3.672 24.009 1.00 18.47 C ATOM 2017 O ASP A 239 -16.551 3.519 25.166 1.00 21.20 O ATOM 2018 CB ASP A 239 -17.111 5.904 23.083 1.00 16.89 C ATOM 2019 CG ASP A 239 -16.509 7.208 22.622 1.00 17.13 C ATOM 2020 OD1 ASP A 239 -15.327 7.485 22.919 1.00 18.46 O ATOM 2021 OD2 ASP A 239 -17.273 8.034 22.050 1.00 18.04 O ATOM 2022 H ASP A 239 -15.737 4.767 21.123 1.00 0.00 H ATOM 2023 N SER A 240 -17.549 2.856 23.319 1.00 20.13 N ATOM 2024 CA SER A 240 -18.326 1.850 24.015 1.00 21.42 C ATOM 2025 C SER A 240 -17.459 0.730 24.630 1.00 25.51 C ATOM 2026 O SER A 240 -17.790 0.149 25.687 1.00 25.16 O ATOM 2027 CB SER A 240 -19.246 1.174 23.075 1.00 22.92 C ATOM 2028 OG SER A 240 -19.732 0.061 23.759 1.00 27.69 O ATOM 2029 HG SER A 240 -18.976 -0.527 24.009 1.00 0.00 H ATOM 2030 H SER A 240 -17.603 2.935 22.283 1.00 0.00 H ATOM 2031 N VAL A 241 -16.387 0.398 23.927 1.00 23.29 N ATOM 2032 CA VAL A 241 -15.531 -0.692 24.345 1.00 22.38 C ATOM 2033 C VAL A 241 -14.634 -0.148 25.419 1.00 24.15 C ATOM 2034 O VAL A 241 -14.380 -0.873 26.348 1.00 27.93 O ATOM 2035 CB VAL A 241 -14.723 -1.248 23.169 1.00 19.96 C ATOM 2036 CG1 VAL A 241 -13.716 -2.287 23.620 1.00 19.32 C ATOM 2037 CG2 VAL A 241 -15.659 -1.833 22.132 1.00 19.86 C ATOM 2038 H VAL A 241 -16.157 0.928 23.062 1.00 0.00 H ATOM 2039 N LEU A 242 -14.126 1.097 25.300 1.00 22.58 N ATOM 2040 CA LEU A 242 -13.237 1.637 26.355 1.00 25.16 C ATOM 2041 C LEU A 242 -13.952 1.827 27.678 1.00 28.95 C ATOM 2042 O LEU A 242 -13.277 1.835 28.707 1.00 29.10 O ATOM 2043 CB LEU A 242 -12.558 2.976 26.004 1.00 24.19 C ATOM 2044 CG LEU A 242 -11.278 3.022 25.173 1.00 23.12 C ATOM 2045 CD1 LEU A 242 -11.235 1.876 24.205 1.00 23.76 C ATOM 2046 CD2 LEU A 242 -11.172 4.368 24.465 1.00 21.17 C ATOM 2047 H LEU A 242 -14.358 1.677 24.468 1.00 0.00 H ATOM 2048 N ALA A 243 -15.284 1.983 27.662 1.00 33.27 N ATOM 2049 CA ALA A 243 -16.060 2.236 28.912 1.00 39.74 C ATOM 2050 C ALA A 243 -16.690 0.969 29.441 1.00 40.68 C ATOM 2051 O ALA A 243 -17.367 1.004 30.464 1.00 38.03 O ATOM 2052 CB ALA A 243 -17.128 3.297 28.708 1.00 37.93 C ATOM 2053 H ALA A 243 -15.790 1.926 26.755 1.00 0.00 H ATOM 2054 N SER A 244 -16.474 -0.146 28.738 1.00 39.66 N ATOM 2055 CA SER A 244 -16.837 -1.457 29.256 1.00 40.59 C ATOM 2056 C SER A 244 -15.708 -1.850 30.198 1.00 35.81 C ATOM 2057 O SER A 244 -15.896 -2.643 31.096 1.00 39.37 O ATOM 2058 CB SER A 244 -16.941 -2.462 28.128 1.00 39.19 C ATOM 2059 OG SER A 244 -15.632 -2.810 27.752 1.00 34.59 O ATOM 2060 HG SER A 244 -15.150 -1.999 27.451 1.00 0.00 H ATOM 2061 H SER A 244 -16.036 -0.076 27.797 1.00 0.00 H TER 2062 SER A 244 HETATM 2063 O HOH 1 10.081 -11.670 -1.463 1.00 38.97 O HETATM 2064 O HOH 2 -19.620 0.421 27.166 1.00 22.63 O HETATM 2065 O HOH 3 17.971 0.535 17.473 1.00 16.80 O HETATM 2066 O HOH 4 -15.574 0.230 5.362 1.00 15.17 O HETATM 2067 O HOH 5 9.643 9.577 5.580 1.00 21.74 O HETATM 2068 O HOH 6 0.073 -11.312 7.131 1.00 23.37 O HETATM 2069 O HOH 7 0.571 -7.665 32.618 1.00 23.70 O HETATM 2070 O HOH 8 8.007 -9.466 -0.924 1.00 45.09 O HETATM 2071 O HOH 9 -14.725 14.626 2.429 1.00 20.11 O HETATM 2072 O HOH 10 -17.969 7.746 8.999 1.00 14.48 O HETATM 2073 O HOH 11 0.657 4.108 2.445 1.00 15.13 O HETATM 2074 O HOH 12 -11.346 12.005 10.731 1.00 18.43 O HETATM 2075 O HOH 13 -20.515 3.741 9.639 1.00 32.98 O HETATM 2076 O HOH 14 -4.970 -4.112 4.388 1.00 16.85 O HETATM 2077 O HOH 15 -7.413 -0.894 10.252 1.00 9.89 O HETATM 2078 O HOH 16 18.972 6.268 11.019 1.00 11.41 O HETATM 2079 O HOH 17 19.746 3.296 15.970 1.00 18.29 O HETATM 2080 O HOH 18 -5.545 14.613 12.449 1.00 18.57 O HETATM 2081 O HOH 19 20.984 -6.907 20.854 1.00 25.65 O HETATM 2082 O HOH 20 9.568 6.813 17.848 1.00 11.88 O HETATM 2083 O HOH 21 10.140 -6.880 13.108 1.00 12.82 O HETATM 2084 O HOH 22 -8.228 9.152 1.944 1.00 15.69 O HETATM 2085 O HOH 23 8.378 -8.972 24.211 1.00 22.25 O HETATM 2086 O HOH 24 9.151 -1.309 9.831 1.00 13.12 O HETATM 2087 O HOH 25 9.399 -11.524 7.345 1.00 15.75 O HETATM 2088 O HOH 26 -16.901 10.708 15.211 1.00 20.04 O HETATM 2089 O HOH 27 -4.873 -10.588 7.381 1.00 18.86 O HETATM 2090 O HOH 28 -6.962 -2.805 -4.978 1.00 18.91 O HETATM 2091 O HOH 29 -4.877 13.646 -2.633 1.00 17.48 O HETATM 2092 O HOH 30 19.082 0.038 14.901 1.00 24.30 O HETATM 2093 O HOH 31 0.022 16.204 9.927 1.00 23.52 O HETATM 2094 O HOH 32 17.202 4.767 9.572 1.00 15.96 O HETATM 2095 O HOH 33 7.003 1.328 30.973 1.00 23.66 O HETATM 2096 O HOH 34 7.665 -2.055 -3.335 1.00 19.73 O HETATM 2097 O HOH 35 -20.325 5.248 6.926 1.00 21.56 O HETATM 2098 O HOH 36 -11.667 -0.709 8.440 1.00 12.51 O HETATM 2099 O HOH 37 2.624 -0.503 12.940 1.00 8.93 O HETATM 2100 O HOH 38 7.470 3.138 21.814 1.00 14.54 O HETATM 2101 O HOH 39 15.807 2.463 23.502 1.00 17.66 O HETATM 2102 O HOH 40 2.673 16.498 2.411 1.00 21.11 O HETATM 2103 O HOH 41 -9.466 11.697 5.692 1.00 18.00 O HETATM 2104 O HOH 42 -12.848 -7.068 8.467 1.00 22.84 O HETATM 2105 O HOH 43 -12.890 8.023 -7.970 1.00 22.40 O HETATM 2106 O HOH 44 4.788 2.739 24.087 1.00 16.18 O HETATM 2107 O HOH 45 -10.374 9.441 11.721 1.00 9.09 O HETATM 2108 O HOH 46 -13.814 7.387 25.222 1.00 20.87 O HETATM 2109 O HOH 47 -1.785 -1.868 -1.587 1.00 18.50 O HETATM 2110 O HOH 48 1.585 -0.531 -2.485 1.00 12.41 O HETATM 2111 O HOH 49 16.829 0.334 11.790 1.00 12.59 O HETATM 2112 O HOH 50 6.296 -0.211 22.415 1.00 15.64 O HETATM 2113 O HOH 51 -9.355 10.718 7.964 1.00 24.40 O HETATM 2114 O HOH 52 8.487 4.398 23.800 1.00 12.62 O HETATM 2115 O HOH 53 4.337 -2.440 13.730 1.00 15.82 O HETATM 2116 O HOH 54 -3.428 18.913 7.364 1.00 20.63 O HETATM 2117 O HOH 55 11.569 9.818 14.801 1.00 24.55 O HETATM 2118 O HOH 56 -4.819 -8.650 -1.097 1.00 16.77 O HETATM 2119 O HOH 57 -14.138 0.329 7.491 1.00 10.34 O HETATM 2120 O HOH 58 10.636 3.762 20.175 1.00 13.85 O HETATM 2121 O HOH 59 11.978 1.268 6.975 1.00 14.55 O HETATM 2122 O HOH 60 8.382 5.384 20.109 1.00 12.13 O HETATM 2123 O HOH 61 -18.120 14.448 13.423 1.00 28.91 O HETATM 2124 O HOH 62 -3.727 -14.346 25.134 1.00 24.26 O HETATM 2125 O HOH 63 -10.722 11.888 0.905 1.00 14.13 O HETATM 2126 O HOH 64 -7.630 13.353 -13.765 1.00 20.56 O HETATM 2127 O HOH 65 0.634 6.396 -3.945 1.00 14.87 O HETATM 2128 O HOH 66 -1.980 -0.231 4.766 1.00 10.50 O HETATM 2129 O HOH 67 -6.159 -5.410 1.989 1.00 30.51 O HETATM 2130 O HOH 68 -8.057 13.934 1.873 1.00 14.48 O HETATM 2131 O HOH 69 -20.766 4.374 22.373 1.00 15.26 O HETATM 2132 O HOH 70 16.766 8.175 19.335 1.00 20.31 O HETATM 2133 O HOH 71 -15.255 15.242 5.100 1.00 15.31 O HETATM 2134 O HOH 72 -18.850 4.712 2.404 1.00 16.85 O HETATM 2135 O HOH 73 12.952 -3.958 -1.179 1.00 22.36 O HETATM 2136 O HOH 74 -14.570 8.150 -3.456 1.00 17.70 O HETATM 2137 O HOH 75 8.185 5.776 30.453 1.00 24.05 O HETATM 2138 O HOH 76 0.920 18.438 6.407 1.00 18.55 O HETATM 2139 O HOH 77 0.924 5.640 35.473 1.00 24.76 O HETATM 2140 O HOH 78 15.031 -10.397 9.260 1.00 24.82 O HETATM 2141 O HOH 79 0.022 -1.445 -10.570 1.00 26.97 O HETATM 2142 O HOH 80 -12.657 -5.037 33.189 1.00 39.52 O HETATM 2143 O HOH 81 13.109 -11.671 8.742 1.00 25.75 O HETATM 2144 O HOH 82 -16.097 11.886 6.252 1.00 11.70 O HETATM 2145 O HOH 83 -18.343 0.996 5.380 1.00 13.59 O HETATM 2146 O HOH 84 1.456 -15.728 6.133 1.00 23.13 O HETATM 2147 O HOH 85 -21.380 0.596 7.222 1.00 10.70 O HETATM 2148 O HOH 86 -8.746 11.694 2.996 1.00 21.60 O HETATM 2149 O HOH 87 9.610 -9.281 14.337 1.00 14.97 O HETATM 2150 O HOH 88 -3.667 -4.021 -3.176 1.00 35.72 O HETATM 2151 O HOH 89 9.655 -7.672 26.421 1.00 24.42 O HETATM 2152 C1 UNN A 90 -2.084 -10.396 10.865 1.00 -0.01 C HETATM 2153 C2 UNN A 90 -0.699 -10.193 11.559 1.00 -0.01 C HETATM 2154 C5 UNN A 90 0.255 -9.389 10.616 1.00 0.13 C HETATM 2155 N4 UNN A 90 -0.658 -9.137 9.516 1.00 -0.25 N HETATM 2156 C3 UNN A 90 -2.026 -9.661 9.520 1.00 0.05 C HETATM 2157 C34 UNN A 90 -2.924 -9.128 10.638 1.00 -0.02 C HETATM 2158 H21 UNN A 90 -2.661 -8.194 11.156 1.00 0.03 H HETATM 2159 H22 UNN A 90 -4.018 -9.202 10.547 1.00 0.03 H HETATM 2160 H4 UNN A 90 -2.414 -10.006 8.550 1.00 0.06 H HETATM 2161 C12 UNN A 90 -0.266 -8.317 8.534 1.00 0.21 C HETATM 2162 C13 UNN A 90 -1.307 -7.998 7.522 1.00 0.16 C HETATM 2163 N14 UNN A 90 -0.799 -6.984 6.589 1.00 -0.16 N HETATM 2164 C16 UNN A 90 -0.114 -7.279 5.441 1.00 0.13 C HETATM 2165 C17 UNN A 90 0.179 -6.130 4.718 1.00 0.05 C HETATM 2166 C18 UNN A 90 -0.458 -5.096 5.580 1.00 0.15 C HETATM 2167 C24 UNN A 90 -0.481 -3.674 5.261 1.00 0.21 C HETATM 2168 N25 UNN A 90 -1.439 -2.852 5.835 1.00 -0.30 N HETATM 2169 H18 UNN A 90 -1.456 -1.876 5.617 1.00 0.18 H HETATM 2170 H19 UNN A 90 -2.113 -3.235 6.467 1.00 0.18 H HETATM 2171 O26 UNN A 90 0.324 -3.293 4.441 1.00 -0.39 O HETATM 2172 N19 UNN A 90 -1.060 -5.662 6.589 1.00 -0.16 N HETATM 2173 C23 UNN A 90 0.935 -6.148 3.508 1.00 -0.04 C HETATM 2174 C22 UNN A 90 1.368 -7.455 3.117 1.00 -0.00 C HETATM 2175 N21 UNN A 90 1.060 -8.593 3.844 1.00 -0.31 N HETATM 2176 C20 UNN A 90 0.339 -8.575 5.004 1.00 0.04 C HETATM 2177 H7 UNN A 90 0.121 -9.479 5.561 1.00 0.08 H HETATM 2178 H8 UNN A 90 1.961 -7.558 2.216 1.00 0.07 H HETATM 2179 H9 UNN A 90 1.161 -5.254 2.938 1.00 0.07 H HETATM 2180 H5 UNN A 90 -2.203 -7.611 8.029 1.00 0.09 H HETATM 2181 H6 UNN A 90 -1.566 -8.910 6.965 1.00 0.09 H HETATM 2182 O15 UNN A 90 0.855 -7.799 8.461 1.00 -0.39 O HETATM 2183 C6 UNN A 90 1.389 -10.334 10.270 1.00 0.20 C HETATM 2184 N7 UNN A 90 2.310 -10.481 11.229 1.00 -0.27 N HETATM 2185 C9 UNN A 90 3.399 -11.447 11.114 1.00 0.07 C HETATM 2186 C11 UNN A 90 4.681 -10.956 10.448 1.00 0.02 C HETATM 2187 C27 UNN A 90 5.311 -9.807 10.909 1.00 0.15 C HETATM 2188 C28 UNN A 90 6.480 -9.365 10.355 1.00 0.07 C HETATM 2189 C29 UNN A 90 7.107 -10.078 9.334 1.00 -0.06 C HETATM 2190 C30 UNN A 90 6.480 -11.225 8.850 1.00 -0.07 C HETATM 2191 C31 UNN A 90 5.265 -11.694 9.416 1.00 -0.06 C HETATM 2192 H20 UNN A 90 4.801 -12.605 9.055 1.00 0.05 H HETATM 2193 H11 UNN A 90 6.928 -11.769 8.026 1.00 0.06 H HETATM 2194 H10 UNN A 90 8.057 -9.749 8.928 1.00 0.06 H HETATM 2195 CL UNN A 90 7.179 -7.902 11.062 1.00 -0.07 CL HETATM 2196 F UNN A 90 4.785 -9.114 11.909 1.00 -0.19 F HETATM 2197 C10 UNN A 90 3.632 -11.949 12.584 1.00 -0.03 C HETATM 2198 H15 UNN A 90 4.445 -12.690 12.594 1.00 0.03 H HETATM 2199 H16 UNN A 90 2.710 -12.412 12.964 1.00 0.03 H HETATM 2200 H17 UNN A 90 3.904 -11.097 13.224 1.00 0.03 H HETATM 2201 H14 UNN A 90 3.039 -12.291 10.507 1.00 0.07 H HETATM 2202 H13 UNN A 90 2.251 -9.912 12.049 1.00 0.19 H HETATM 2203 O8 UNN A 90 1.360 -10.949 9.225 1.00 -0.39 O HETATM 2204 H12 UNN A 90 0.640 -8.458 11.058 1.00 0.08 H HETATM 2205 H2 UNN A 90 -0.253 -11.175 11.778 1.00 0.03 H HETATM 2206 H3 UNN A 90 -0.839 -9.636 12.497 1.00 0.03 H HETATM 2207 H1 UNN A 90 -2.538 -11.383 11.036 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 234 233 368 CONECT 368 234 367 CONECT 380 381 388 389 390 CONECT 388 380 CONECT 389 380 CONECT 390 380 CONECT 1088 1087 1699 CONECT 1375 1374 1541 CONECT 1541 1375 1540 CONECT 1623 1622 1819 CONECT 1699 1088 1698 CONECT 1819 1623 1818 CONECT 2152 2153 2156 2157 2207 CONECT 2153 2152 2154 2205 2206 CONECT 2154 2153 2155 2183 2204 CONECT 2155 2154 2156 2161 CONECT 2156 2152 2155 2157 2160 CONECT 2157 2152 2156 2158 2159 CONECT 2158 2157 CONECT 2159 2157 CONECT 2160 2156 CONECT 2161 2155 2162 2182 CONECT 2162 2161 2163 2180 2181 CONECT 2163 2162 2164 2172 CONECT 2164 2163 2165 2176 CONECT 2165 2164 2166 2173 CONECT 2166 2165 2167 2172 CONECT 2167 2166 2168 2171 CONECT 2168 2167 2169 2170 CONECT 2169 2168 CONECT 2170 2168 CONECT 2171 2167 CONECT 2172 2163 2166 CONECT 2173 2165 2174 2179 CONECT 2174 2173 2175 2178 CONECT 2175 2174 2176 CONECT 2176 2164 2175 2177 CONECT 2177 2176 CONECT 2178 2174 CONECT 2179 2173 CONECT 2180 2162 CONECT 2181 2162 CONECT 2182 2161 CONECT 2183 2154 2184 2203 CONECT 2184 2183 2185 2202 CONECT 2185 2184 2186 2197 2201 CONECT 2186 2185 2187 2191 CONECT 2187 2186 2188 2196 CONECT 2188 2187 2189 2195 CONECT 2189 2188 2190 2194 CONECT 2190 2189 2191 2193 CONECT 2191 2186 2190 2192 CONECT 2192 2191 CONECT 2193 2190 CONECT 2194 2189 CONECT 2195 2188 CONECT 2196 2187 CONECT 2197 2185 2198 2199 2200 CONECT 2198 2197 CONECT 2199 2197 CONECT 2200 2197 CONECT 2201 2185 CONECT 2202 2184 CONECT 2203 2183 CONECT 2204 2154 CONECT 2205 2153 CONECT 2206 2153 CONECT 2207 2152 MASTER 0 0 0 0 0 0 0 0 2205 2 72 18 END
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Structure:
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PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5fck
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human Complement factor D
Ligand Name
5WC
EC.Number
E.C.3.4.21.46
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
Kd=0.006uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat.Chem.Biol. Vol. 12: pp. 1105-1110
Ligand Properties
Formula
C
2
3
H
2
2
ClFN
6
O
3
Molecular Weight
484.911
Exact Mass
484.143
No. of atoms
56
No. of bonds
60
Polar Surface Area
123.21
LOGP Value
1.93 (
Computed with XLOGP3
)
3.22 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
O=C(N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@@H](c1cccc(c1F)Cl)C)Cn1nc(c2c1cncc2)C(=O)N
InChI String
InChI=1S/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00746
Entrez Gene ID
NCBI Entrez Gene ID:
1675
ASD
Information of known allosteric effects of PDB entries
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