Browse entries in the PDBbind-CN Database
HEADER 6QGK_COMPLEX COMPND 6QGK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 25 ASP ASN ARG GLU ILE VAL MET LYS TYR ILE SER TYR LYS SEQRES 2 A 25 LEU SER GLN ARG GLY TYR GLU TRP ASP ALA GLY ASP SEQRES 1 A 123 GLU SER GLU VAL VAL HIS GLN THR LEU ARG GLN ALA GLY SEQRES 2 A 123 ASP ASP PHE SER LEU ARG TYR ARG ARG ASP PHE ALA GLN SEQRES 3 A 123 MET SER SER GLN LEU HIS LEU THR PRO GLY THR ALA TYR SEQRES 4 A 123 ALA SER PHE ALA THR VAL VAL ALA GLU LEU PHE ARG ASP SEQRES 5 A 123 GLY VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE SEQRES 6 A 123 GLY GLY VAL MET CYS VAL GLU SER VAL ASN ARG ALA MET SEQRES 7 A 123 SER VAL LEU VAL ASP ASN ILE ALA ALA TRP MET ALA THR SEQRES 8 A 123 TYR LEU ASN ASP HIS LEU HIS THR TRP ILE GLN ASP ASN SEQRES 9 A 123 GLY GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY ASN ASN SEQRES 10 A 123 ALA ALA ALA GLU SER ARG HET J A 1Q 77 ATOM 1 N ASP A 10 -24.450 0.992 13.464 1.00 69.67 N ATOM 2 CA ASP A 10 -24.364 0.468 14.859 1.00 67.19 C ATOM 3 C ASP A 10 -22.913 0.064 15.132 1.00 64.94 C ATOM 4 O ASP A 10 -22.153 -0.274 14.190 1.00 51.42 O ATOM 5 CB ASP A 10 -25.269 -0.750 15.098 1.00 69.83 C ATOM 6 CG ASP A 10 -25.917 -0.812 16.478 1.00 75.53 C ATOM 7 OD1 ASP A 10 -25.552 0.004 17.354 1.00 78.08 O ATOM 8 OD2 ASP A 10 -26.800 -1.674 16.669 1.00 76.59 O ATOM 9 HN3 ASP A 10 -24.154 0.250 12.798 1.00 0.00 H ATOM 10 HN2 ASP A 10 -23.825 1.817 13.366 1.00 0.00 H ATOM 11 HN1 ASP A 10 -25.431 1.272 13.260 1.00 0.00 H ATOM 12 N ASN A 11 -22.560 0.097 16.422 1.00 53.15 N ATOM 13 CA ASN A 11 -21.219 -0.185 16.870 1.00 54.39 C ATOM 14 C ASN A 11 -21.070 -1.696 17.001 1.00 50.16 C ATOM 15 O ASN A 11 -20.002 -2.220 16.775 1.00 46.52 O ATOM 16 CB ASN A 11 -20.877 0.506 18.195 1.00 52.85 C ATOM 17 CG ASN A 11 -20.557 1.989 18.061 1.00 55.71 C ATOM 18 OD1 ASN A 11 -19.930 2.437 17.096 1.00 51.39 O ATOM 19 ND2 ASN A 11 -20.954 2.766 19.057 1.00 47.84 N ATOM 20 HD22 ASN A 11 -21.481 2.359 19.856 1.00 0.00 H ATOM 21 HD21 ASN A 11 -20.739 3.783 19.040 1.00 0.00 H ATOM 22 H ASN A 11 -23.283 0.336 17.131 1.00 0.00 H ATOM 23 N ARG A 12 -22.152 -2.378 17.393 1.00 48.53 N ATOM 24 CA ARG A 12 -22.104 -3.808 17.553 1.00 47.15 C ATOM 25 C ARG A 12 -21.872 -4.389 16.161 1.00 45.03 C ATOM 26 O ARG A 12 -21.052 -5.256 16.016 1.00 40.84 O ATOM 27 CB ARG A 12 -23.359 -4.381 18.228 1.00 44.25 C ATOM 28 H ARG A 12 -23.039 -1.869 17.584 1.00 0.00 H ATOM 29 N GLU A 13 -22.574 -3.848 15.153 1.00 39.21 N ATOM 30 CA GLU A 13 -22.621 -4.439 13.842 1.00 39.44 C ATOM 31 C GLU A 13 -21.256 -4.256 13.152 1.00 32.91 C ATOM 32 O GLU A 13 -20.770 -5.151 12.473 1.00 30.99 O ATOM 33 CB GLU A 13 -23.801 -3.832 13.074 1.00 45.80 C ATOM 34 CG GLU A 13 -23.862 -4.158 11.596 1.00 52.49 C ATOM 35 CD GLU A 13 -23.491 -3.008 10.668 1.00 67.77 C ATOM 36 OE1 GLU A 13 -23.908 -1.832 10.925 1.00 75.84 O ATOM 37 OE2 GLU A 13 -22.783 -3.283 9.686 1.00 70.87 O ATOM 38 H GLU A 13 -23.103 -2.970 15.326 1.00 0.00 H ATOM 39 N ILE A 14 -20.630 -3.090 13.305 1.00 30.20 N ATOM 40 CA ILE A 14 -19.363 -2.876 12.598 1.00 29.76 C ATOM 41 C ILE A 14 -18.297 -3.806 13.212 1.00 26.98 C ATOM 42 O ILE A 14 -17.435 -4.337 12.491 1.00 27.98 O ATOM 43 CB ILE A 14 -18.946 -1.398 12.599 1.00 36.70 C ATOM 44 CG1 ILE A 14 -17.631 -1.192 11.849 1.00 41.78 C ATOM 45 CG2 ILE A 14 -18.866 -0.858 14.014 1.00 41.09 C ATOM 46 CD1 ILE A 14 -17.637 0.054 11.011 1.00 51.43 C ATOM 47 H ILE A 14 -21.031 -2.347 13.913 1.00 0.00 H ATOM 48 N VAL A 15 -18.353 -4.002 14.526 1.00 27.21 N ATOM 49 CA VAL A 15 -17.398 -4.886 15.217 1.00 27.38 C ATOM 50 C VAL A 15 -17.640 -6.323 14.762 1.00 29.76 C ATOM 51 O VAL A 15 -16.704 -7.036 14.357 1.00 25.70 O ATOM 52 CB VAL A 15 -17.491 -4.738 16.740 1.00 27.19 C ATOM 53 CG1 VAL A 15 -16.832 -5.901 17.454 1.00 26.66 C ATOM 54 CG2 VAL A 15 -16.904 -3.415 17.202 1.00 26.08 C ATOM 55 H VAL A 15 -19.089 -3.519 15.080 1.00 0.00 H ATOM 56 N MET A 16 -18.916 -6.704 14.728 1.00 32.00 N ATOM 57 CA MET A 16 -19.267 -8.075 14.398 1.00 35.94 C ATOM 58 C MET A 16 -18.852 -8.406 12.951 1.00 32.26 C ATOM 59 O MET A 16 -18.203 -9.435 12.709 1.00 28.95 O ATOM 60 CB MET A 16 -20.757 -8.344 14.624 1.00 41.36 C ATOM 61 CG MET A 16 -21.235 -8.111 16.065 1.00 54.21 C ATOM 62 SD MET A 16 -20.401 -9.083 17.363 1.00 73.51 S ATOM 63 CE MET A 16 -21.359 -8.633 18.809 1.00 65.88 C ATOM 64 H MET A 16 -19.666 -6.015 14.939 1.00 0.00 H ATOM 65 N LYS A 17 -19.152 -7.522 11.994 1.00 32.50 N ATOM 66 CA LYS A 17 -18.798 -7.792 10.618 1.00 32.42 C ATOM 67 C LYS A 17 -17.278 -7.883 10.481 1.00 30.09 C ATOM 68 O LYS A 17 -16.776 -8.739 9.759 1.00 31.02 O ATOM 69 CB LYS A 17 -19.413 -6.756 9.673 1.00 40.24 C ATOM 70 CG LYS A 17 -20.930 -6.869 9.528 1.00 45.17 C ATOM 71 CD LYS A 17 -21.495 -6.254 8.262 1.00 52.37 C ATOM 72 CE LYS A 17 -22.046 -7.266 7.278 1.00 59.53 C ATOM 73 NZ LYS A 17 -20.989 -8.191 6.802 1.00 62.88 N ATOM 74 HZ1 LYS A 17 -20.240 -7.646 6.330 1.00 0.00 H ATOM 75 HZ2 LYS A 17 -20.588 -8.704 7.613 1.00 0.00 H ATOM 76 HZ3 LYS A 17 -21.401 -8.870 6.130 1.00 0.00 H ATOM 77 H LYS A 17 -19.641 -6.638 12.240 1.00 0.00 H ATOM 78 N TYR A 18 -16.541 -7.028 11.196 1.00 25.72 N ATOM 79 CA TYR A 18 -15.095 -7.002 11.102 1.00 26.63 C ATOM 80 C TYR A 18 -14.511 -8.313 11.627 1.00 23.62 C ATOM 81 O TYR A 18 -13.669 -8.952 10.925 1.00 22.14 O ATOM 82 CB TYR A 18 -14.480 -5.813 11.849 1.00 26.42 C ATOM 83 CG TYR A 18 -13.045 -5.589 11.441 1.00 22.66 C ATOM 84 CD1 TYR A 18 -12.740 -4.796 10.352 1.00 25.14 C ATOM 85 CD2 TYR A 18 -11.998 -6.186 12.133 1.00 21.66 C ATOM 86 CE1 TYR A 18 -11.427 -4.610 9.951 1.00 25.80 C ATOM 87 CE2 TYR A 18 -10.691 -6.023 11.736 1.00 21.28 C ATOM 88 CZ TYR A 18 -10.398 -5.196 10.674 1.00 23.68 C ATOM 89 OH TYR A 18 -9.117 -5.040 10.251 1.00 25.56 O ATOM 90 HH TYR A 18 -8.754 -5.918 9.971 1.00 0.00 H ATOM 91 H TYR A 18 -17.018 -6.363 11.838 1.00 0.00 H ATOM 92 N ILE A 19 -14.996 -8.744 12.791 1.00 23.11 N ATOM 93 CA ILE A 19 -14.458 -9.941 13.449 1.00 25.79 C ATOM 94 C ILE A 19 -14.813 -11.174 12.600 1.00 25.98 C ATOM 95 O ILE A 19 -13.981 -12.076 12.410 1.00 23.64 O ATOM 96 CB ILE A 19 -14.935 -10.055 14.908 1.00 24.38 C ATOM 97 CG1 ILE A 19 -14.255 -8.981 15.762 1.00 26.31 C ATOM 98 CG2 ILE A 19 -14.693 -11.443 15.484 1.00 23.02 C ATOM 99 CD1 ILE A 19 -14.550 -9.076 17.247 1.00 30.75 C ATOM 100 H ILE A 19 -15.773 -8.221 13.243 1.00 0.00 H ATOM 101 N SER A 20 -16.041 -11.208 12.075 1.00 23.96 N ATOM 102 CA SER A 20 -16.514 -12.321 11.219 1.00 25.96 C ATOM 103 C SER A 20 -15.568 -12.498 10.020 1.00 25.24 C ATOM 104 O SER A 20 -15.124 -13.622 9.670 1.00 27.18 O ATOM 105 CB SER A 20 -17.943 -12.055 10.789 1.00 27.71 C ATOM 106 OG SER A 20 -18.819 -12.135 11.910 1.00 27.64 O ATOM 107 HG SER A 20 -18.553 -11.461 12.584 1.00 0.00 H ATOM 108 H SER A 20 -16.691 -10.421 12.275 1.00 0.00 H ATOM 109 N TYR A 21 -15.232 -11.369 9.384 1.00 27.31 N ATOM 110 CA TYR A 21 -14.331 -11.364 8.242 1.00 26.51 C ATOM 111 C TYR A 21 -12.951 -11.906 8.640 1.00 26.55 C ATOM 112 O TYR A 21 -12.450 -12.797 7.994 1.00 28.94 O ATOM 113 CB TYR A 21 -14.231 -9.969 7.641 1.00 30.48 C ATOM 114 CG TYR A 21 -13.137 -9.815 6.613 1.00 33.34 C ATOM 115 CD1 TYR A 21 -13.225 -10.445 5.379 1.00 33.43 C ATOM 116 CD2 TYR A 21 -12.018 -9.037 6.869 1.00 32.08 C ATOM 117 CE1 TYR A 21 -12.232 -10.296 4.414 1.00 34.38 C ATOM 118 CE2 TYR A 21 -11.033 -8.861 5.908 1.00 36.40 C ATOM 119 CZ TYR A 21 -11.143 -9.483 4.672 1.00 34.79 C ATOM 120 OH TYR A 21 -10.151 -9.292 3.745 1.00 34.69 O ATOM 121 HH TYR A 21 -10.079 -8.327 3.534 1.00 0.00 H ATOM 122 H TYR A 21 -15.628 -10.467 9.717 1.00 0.00 H ATOM 123 N LYS A 22 -12.337 -11.385 9.707 1.00 26.32 N ATOM 124 CA LYS A 22 -11.020 -11.856 10.111 1.00 25.77 C ATOM 125 C LYS A 22 -11.006 -13.373 10.343 1.00 25.97 C ATOM 126 O LYS A 22 -10.068 -14.034 9.951 1.00 29.14 O ATOM 127 CB LYS A 22 -10.521 -11.169 11.389 1.00 28.96 C ATOM 128 CG LYS A 22 -10.449 -9.654 11.330 1.00 29.28 C ATOM 129 CD LYS A 22 -9.764 -9.104 10.104 1.00 31.98 C ATOM 130 CE LYS A 22 -8.309 -9.458 9.993 1.00 29.71 C ATOM 131 NZ LYS A 22 -7.704 -8.635 8.913 1.00 31.25 N ATOM 132 HZ1 LYS A 22 -8.188 -8.835 8.014 1.00 0.00 H ATOM 133 HZ2 LYS A 22 -7.808 -7.627 9.148 1.00 0.00 H ATOM 134 HZ3 LYS A 22 -6.695 -8.870 8.824 1.00 0.00 H ATOM 135 H LYS A 22 -12.805 -10.635 10.255 1.00 0.00 H ATOM 136 N LEU A 23 -12.010 -13.899 11.052 1.00 26.31 N ATOM 137 CA LEU A 23 -12.020 -15.314 11.404 1.00 25.15 C ATOM 138 C LEU A 23 -12.274 -16.174 10.153 1.00 28.48 C ATOM 139 O LEU A 23 -11.732 -17.266 10.035 1.00 30.88 O ATOM 140 CB LEU A 23 -13.103 -15.563 12.451 1.00 26.36 C ATOM 141 CG LEU A 23 -12.851 -15.014 13.852 1.00 27.76 C ATOM 142 CD1 LEU A 23 -14.125 -15.111 14.674 1.00 29.62 C ATOM 143 CD2 LEU A 23 -11.744 -15.741 14.567 1.00 27.05 C ATOM 144 H LEU A 23 -12.796 -13.290 11.357 1.00 0.00 H ATOM 145 N SER A 24 -13.090 -15.657 9.229 1.00 28.47 N ATOM 146 CA SER A 24 -13.425 -16.353 7.987 1.00 34.25 C ATOM 147 C SER A 24 -12.173 -16.444 7.095 1.00 36.23 C ATOM 148 O SER A 24 -12.000 -17.430 6.396 1.00 35.75 O ATOM 149 CB SER A 24 -14.611 -15.713 7.287 1.00 36.61 C ATOM 150 OG SER A 24 -14.204 -14.563 6.555 1.00 46.45 O ATOM 151 HG SER A 24 -13.804 -13.903 7.175 1.00 0.00 H ATOM 152 H SER A 24 -13.505 -14.719 9.401 1.00 0.00 H ATOM 153 N GLN A 25 -11.266 -15.467 7.210 1.00 35.45 N ATOM 154 CA GLN A 25 -9.995 -15.430 6.484 1.00 36.99 C ATOM 155 C GLN A 25 -9.129 -16.627 6.879 1.00 36.88 C ATOM 156 O GLN A 25 -8.296 -17.013 6.120 1.00 39.81 O ATOM 157 CB GLN A 25 -9.146 -14.191 6.789 1.00 38.60 C ATOM 158 CG GLN A 25 -9.434 -12.947 5.962 1.00 41.47 C ATOM 159 CD GLN A 25 -8.500 -11.818 6.373 1.00 48.11 C ATOM 160 OE1 GLN A 25 -8.292 -11.555 7.563 1.00 48.61 O ATOM 161 NE2 GLN A 25 -7.918 -11.131 5.397 1.00 39.90 N ATOM 162 HE22 GLN A 25 -8.111 -11.373 4.404 1.00 0.00 H ATOM 163 HE21 GLN A 25 -7.270 -10.351 5.625 1.00 0.00 H ATOM 164 H GLN A 25 -11.478 -14.682 7.858 1.00 0.00 H ATOM 165 N ARG A 26 -9.342 -17.193 8.071 1.00 36.36 N ATOM 166 CA ARG A 26 -8.580 -18.338 8.573 1.00 37.38 C ATOM 167 C ARG A 26 -9.447 -19.599 8.638 1.00 35.02 C ATOM 168 O ARG A 26 -9.041 -20.560 9.226 1.00 40.74 O ATOM 169 CB ARG A 26 -7.992 -18.030 9.955 1.00 41.76 C ATOM 170 CG ARG A 26 -7.250 -16.708 10.008 1.00 44.62 C ATOM 171 CD ARG A 26 -6.398 -16.488 8.772 1.00 51.83 C ATOM 172 NE ARG A 26 -5.005 -16.611 9.109 1.00 58.47 N ATOM 173 CZ ARG A 26 -4.294 -15.623 9.608 1.00 52.35 C ATOM 174 NH1 ARG A 26 -4.664 -14.371 9.389 1.00 50.98 N ATOM 175 NH2 ARG A 26 -3.265 -15.903 10.376 1.00 44.60 N ATOM 176 HE ARG A 26 -4.537 -17.526 8.950 1.00 0.00 H ATOM 177 HH12 ARG A 26 -4.105 -13.587 9.782 1.00 0.00 H ATOM 178 HH11 ARG A 26 -5.514 -14.171 8.824 1.00 0.00 H ATOM 179 HH22 ARG A 26 -2.692 -15.134 10.779 1.00 0.00 H ATOM 180 HH21 ARG A 26 -3.023 -16.894 10.581 1.00 0.00 H ATOM 181 H ARG A 26 -10.091 -16.798 8.675 1.00 0.00 H ATOM 182 N GLY A 27 -10.633 -19.570 8.037 1.00 34.08 N ATOM 183 CA GLY A 27 -11.512 -20.734 7.923 1.00 37.67 C ATOM 184 C GLY A 27 -12.378 -20.975 9.150 1.00 37.00 C ATOM 185 O GLY A 27 -12.922 -22.044 9.289 1.00 36.17 O ATOM 186 H GLY A 27 -10.953 -18.670 7.625 1.00 0.00 H ATOM 187 N TYR A 28 -12.558 -19.972 10.012 1.00 36.23 N ATOM 188 CA TYR A 28 -13.294 -20.133 11.263 1.00 39.69 C ATOM 189 C TYR A 28 -14.637 -19.405 11.174 1.00 45.62 C ATOM 190 O TYR A 28 -14.705 -18.248 10.821 1.00 40.37 O ATOM 191 CB TYR A 28 -12.509 -19.548 12.430 1.00 42.20 C ATOM 192 CG TYR A 28 -11.141 -20.135 12.676 1.00 47.03 C ATOM 193 CD1 TYR A 28 -10.950 -21.504 12.831 1.00 50.67 C ATOM 194 CD2 TYR A 28 -10.042 -19.307 12.850 1.00 48.20 C ATOM 195 CE1 TYR A 28 -9.698 -22.033 13.111 1.00 52.30 C ATOM 196 CE2 TYR A 28 -8.781 -19.816 13.118 1.00 54.87 C ATOM 197 CZ TYR A 28 -8.609 -21.184 13.250 1.00 57.62 C ATOM 198 OH TYR A 28 -7.360 -21.664 13.524 1.00 62.86 O ATOM 199 HH TYR A 28 -7.044 -21.286 14.383 1.00 0.00 H ATOM 200 H TYR A 28 -12.158 -19.039 9.784 1.00 0.00 H ATOM 201 N GLU A 29 -15.720 -20.102 11.501 1.00 54.98 N ATOM 202 CA GLU A 29 -17.060 -19.545 11.321 1.00 62.81 C ATOM 203 C GLU A 29 -17.577 -19.237 12.723 1.00 59.74 C ATOM 204 O GLU A 29 -17.443 -20.049 13.592 1.00 61.70 O ATOM 205 CB GLU A 29 -17.911 -20.546 10.541 1.00 70.13 C ATOM 206 CG GLU A 29 -19.220 -19.991 10.003 1.00 76.13 C ATOM 207 CD GLU A 29 -20.118 -21.042 9.360 1.00 81.80 C ATOM 208 OE1 GLU A 29 -19.609 -22.134 9.037 1.00 96.30 O ATOM 209 OE2 GLU A 29 -21.325 -20.779 9.194 1.00 77.67 O ATOM 210 H GLU A 29 -15.613 -21.060 11.892 1.00 0.00 H ATOM 211 N TRP A 30 -18.094 -18.038 12.966 1.00 60.23 N ATOM 212 CA TRP A 30 -18.262 -17.632 14.353 1.00 57.96 C ATOM 213 C TRP A 30 -19.758 -17.633 14.717 1.00 64.27 C ATOM 214 O TRP A 30 -20.575 -17.036 14.005 1.00 72.50 O ATOM 215 CB TRP A 30 -17.533 -16.297 14.561 1.00 44.11 C ATOM 216 CG TRP A 30 -17.815 -15.593 15.846 1.00 38.22 C ATOM 217 CD1 TRP A 30 -17.959 -16.120 17.095 1.00 35.54 C ATOM 218 CD2 TRP A 30 -17.928 -14.171 16.000 1.00 36.93 C ATOM 219 NE1 TRP A 30 -18.196 -15.124 18.004 1.00 37.45 N ATOM 220 CE2 TRP A 30 -18.205 -13.919 17.355 1.00 34.41 C ATOM 221 CE3 TRP A 30 -17.866 -13.096 15.107 1.00 37.41 C ATOM 222 CZ2 TRP A 30 -18.366 -12.629 17.849 1.00 36.68 C ATOM 223 CZ3 TRP A 30 -18.068 -11.824 15.591 1.00 34.97 C ATOM 224 CH2 TRP A 30 -18.305 -11.599 16.946 1.00 37.43 C ATOM 225 HE1 TRP A 30 -18.345 -15.261 19.024 1.00 0.00 H ATOM 226 H TRP A 30 -18.371 -17.407 12.187 1.00 0.00 H ATOM 227 N ASP A 31 -20.097 -18.321 15.820 1.00 61.59 N ATOM 228 CA ASP A 31 -21.487 -18.583 16.235 1.00 61.75 C ATOM 229 C ASP A 31 -22.273 -17.268 16.337 1.00 60.38 C ATOM 230 O ASP A 31 -23.381 -17.175 15.821 1.00 64.59 O ATOM 231 CB ASP A 31 -21.546 -19.362 17.555 1.00 64.75 C ATOM 232 H ASP A 31 -19.331 -18.692 16.418 1.00 0.00 H ATOM 233 N ALA A 32 -21.700 -16.247 16.980 1.00 51.88 N ATOM 234 CA ALA A 32 -22.410 -14.971 17.164 1.00 54.62 C ATOM 235 C ALA A 32 -22.282 -14.039 15.944 1.00 51.23 C ATOM 236 O ALA A 32 -22.890 -12.973 15.938 1.00 48.77 O ATOM 237 CB ALA A 32 -21.916 -14.289 18.419 1.00 53.30 C ATOM 238 H ALA A 32 -20.737 -16.355 17.357 1.00 0.00 H ATOM 239 N GLY A 33 -21.522 -14.433 14.914 1.00 53.17 N ATOM 240 CA GLY A 33 -21.278 -13.562 13.754 1.00 56.22 C ATOM 241 C GLY A 33 -21.848 -14.121 12.462 1.00 55.80 C ATOM 242 O GLY A 33 -22.350 -15.233 12.439 1.00 61.74 O ATOM 243 H GLY A 33 -21.093 -15.380 14.935 1.00 0.00 H ATOM 244 N ASP A 34 -21.767 -13.324 11.389 1.00 57.29 N ATOM 245 CA ASP A 34 -22.267 -13.693 10.052 1.00 64.65 C ATOM 246 C ASP A 34 -23.723 -14.158 10.145 1.00 65.68 C ATOM 247 O ASP A 34 -24.194 -14.903 9.285 1.00 66.48 O ATOM 248 CB ASP A 34 -21.394 -14.768 9.385 1.00 64.89 C ATOM 249 CG ASP A 34 -20.233 -14.202 8.587 1.00 71.05 C ATOM 250 OD1 ASP A 34 -20.263 -12.989 8.288 1.00 74.87 O ATOM 251 OD2 ASP A 34 -19.294 -14.971 8.285 1.00 83.28 O ATOM 252 H ASP A 34 -21.325 -12.390 11.506 1.00 0.00 H TER 253 ASP A 34 ATOM 254 N GLU A 47 -24.525 1.578 8.753 1.00 60.34 N ATOM 255 CA GLU A 47 -23.196 1.732 8.141 1.00 58.59 C ATOM 256 C GLU A 47 -23.216 1.105 6.738 1.00 52.37 C ATOM 257 O GLU A 47 -23.669 -0.027 6.543 1.00 50.65 O ATOM 258 CB GLU A 47 -22.134 1.122 9.030 1.00 56.13 C ATOM 259 HN3 GLU A 47 -24.758 0.567 8.823 1.00 0.00 H ATOM 260 HN2 GLU A 47 -25.235 2.058 8.164 1.00 0.00 H ATOM 261 HN1 GLU A 47 -24.519 2.000 9.703 1.00 0.00 H ATOM 262 N SER A 48 -22.772 1.876 5.742 1.00 50.80 N ATOM 263 CA SER A 48 -22.883 1.445 4.364 1.00 48.25 C ATOM 264 C SER A 48 -21.927 0.275 4.105 1.00 43.80 C ATOM 265 O SER A 48 -20.981 0.028 4.860 1.00 39.72 O ATOM 266 CB SER A 48 -22.624 2.587 3.435 1.00 53.06 C ATOM 267 OG SER A 48 -21.284 3.013 3.573 1.00 51.74 O ATOM 268 HG SER A 48 -21.114 3.769 2.957 1.00 0.00 H ATOM 269 H SER A 48 -22.341 2.797 5.959 1.00 0.00 H ATOM 270 N GLU A 49 -22.179 -0.442 3.013 1.00 38.65 N ATOM 271 CA GLU A 49 -21.318 -1.520 2.583 1.00 36.61 C ATOM 272 C GLU A 49 -19.902 -1.015 2.235 1.00 32.92 C ATOM 273 O GLU A 49 -18.905 -1.726 2.422 1.00 32.07 O ATOM 274 CB GLU A 49 -21.970 -2.201 1.408 1.00 38.01 C ATOM 275 H GLU A 49 -23.024 -0.219 2.450 1.00 0.00 H ATOM 276 N VAL A 92 -19.807 0.214 1.718 1.00 33.23 N ATOM 277 CA VAL A 92 -18.519 0.777 1.353 1.00 35.02 C ATOM 278 C VAL A 92 -17.719 1.047 2.625 1.00 29.89 C ATOM 279 O VAL A 92 -16.515 0.955 2.588 1.00 28.88 O ATOM 280 CB VAL A 92 -18.590 2.045 0.478 1.00 36.88 C ATOM 281 CG1 VAL A 92 -19.565 3.074 0.995 1.00 43.32 C ATOM 282 CG2 VAL A 92 -17.219 2.677 0.350 1.00 36.21 C ATOM 283 H VAL A 92 -20.670 0.776 1.575 1.00 0.00 H ATOM 284 N VAL A 93 -18.386 1.391 3.727 1.00 26.22 N ATOM 285 CA VAL A 93 -17.663 1.586 4.991 1.00 30.17 C ATOM 286 C VAL A 93 -17.010 0.262 5.440 1.00 27.75 C ATOM 287 O VAL A 93 -15.833 0.263 5.812 1.00 25.71 O ATOM 288 CB VAL A 93 -18.553 2.177 6.101 1.00 28.91 C ATOM 289 CG1 VAL A 93 -17.902 2.059 7.468 1.00 30.67 C ATOM 290 CG2 VAL A 93 -18.895 3.626 5.831 1.00 30.40 C ATOM 291 H VAL A 93 -19.417 1.521 3.692 1.00 0.00 H ATOM 292 N HIS A 94 -17.772 -0.839 5.454 1.00 28.09 N ATOM 293 CA HIS A 94 -17.228 -2.115 5.880 1.00 29.72 C ATOM 294 C HIS A 94 -16.074 -2.528 4.967 1.00 30.14 C ATOM 295 O HIS A 94 -15.088 -3.003 5.441 1.00 27.52 O ATOM 296 CB HIS A 94 -18.268 -3.233 5.885 1.00 31.63 C ATOM 297 CG HIS A 94 -19.441 -2.945 6.745 1.00 35.21 C ATOM 298 ND1 HIS A 94 -19.325 -2.777 8.095 1.00 35.40 N ATOM 299 CD2 HIS A 94 -20.744 -2.775 6.442 1.00 40.37 C ATOM 300 CE1 HIS A 94 -20.494 -2.490 8.596 1.00 39.53 C ATOM 301 NE2 HIS A 94 -21.387 -2.486 7.603 1.00 42.19 N ATOM 302 H HIS A 94 -18.766 -0.779 5.156 1.00 0.00 H ATOM 303 N GLN A 95 -16.259 -2.395 3.652 1.00 27.64 N ATOM 304 CA GLN A 95 -15.250 -2.793 2.689 1.00 29.67 C ATOM 305 C GLN A 95 -13.971 -1.991 2.900 1.00 24.77 C ATOM 306 O GLN A 95 -12.877 -2.546 2.789 1.00 25.52 O ATOM 307 CB GLN A 95 -15.689 -2.573 1.240 1.00 30.84 C ATOM 308 CG GLN A 95 -14.676 -3.129 0.245 1.00 33.19 C ATOM 309 H GLN A 95 -17.154 -1.994 3.307 1.00 0.00 H ATOM 310 N THR A 96 -14.113 -0.684 3.146 1.00 24.49 N ATOM 311 CA THR A 96 -12.936 0.191 3.258 1.00 24.69 C ATOM 312 C THR A 96 -12.190 -0.165 4.559 1.00 23.53 C ATOM 313 O THR A 96 -10.997 -0.245 4.550 1.00 21.67 O ATOM 314 CB THR A 96 -13.333 1.668 3.171 1.00 26.27 C ATOM 315 OG1 THR A 96 -14.008 1.842 1.930 1.00 26.43 O ATOM 316 CG2 THR A 96 -12.167 2.615 3.259 1.00 25.01 C ATOM 317 HG1 THR A 96 -14.809 1.261 1.907 1.00 0.00 H ATOM 318 H THR A 96 -15.066 -0.282 3.259 1.00 0.00 H ATOM 319 N LEU A 97 -12.941 -0.399 5.640 1.00 22.72 N ATOM 320 CA LEU A 97 -12.336 -0.800 6.924 1.00 24.60 C ATOM 321 C LEU A 97 -11.637 -2.157 6.768 1.00 24.90 C ATOM 322 O LEU A 97 -10.570 -2.329 7.303 1.00 23.87 O ATOM 323 CB LEU A 97 -13.419 -0.790 8.003 1.00 26.15 C ATOM 324 CG LEU A 97 -12.974 -1.079 9.432 1.00 26.32 C ATOM 325 CD1 LEU A 97 -11.921 -0.073 9.875 1.00 26.13 C ATOM 326 CD2 LEU A 97 -14.193 -1.046 10.366 1.00 28.56 C ATOM 327 H LEU A 97 -13.974 -0.296 5.574 1.00 0.00 H ATOM 328 N ARG A 98 -12.215 -3.090 5.995 1.00 24.28 N ATOM 329 CA ARG A 98 -11.595 -4.379 5.762 1.00 27.62 C ATOM 330 C ARG A 98 -10.247 -4.201 5.072 1.00 23.87 C ATOM 331 O ARG A 98 -9.260 -4.832 5.482 1.00 23.38 O ATOM 332 CB ARG A 98 -12.435 -5.316 4.881 1.00 29.50 C ATOM 333 CG ARG A 98 -13.602 -5.954 5.612 1.00 36.35 C ATOM 334 CD ARG A 98 -14.273 -7.037 4.791 1.00 40.51 C ATOM 335 NE ARG A 98 -14.577 -6.520 3.479 1.00 42.08 N ATOM 336 CZ ARG A 98 -15.483 -7.008 2.663 1.00 48.27 C ATOM 337 NH1 ARG A 98 -15.794 -8.299 2.741 1.00 49.42 N ATOM 338 NH2 ARG A 98 -16.031 -6.194 1.764 1.00 40.08 N ATOM 339 HE ARG A 98 -14.035 -5.694 3.153 1.00 0.00 H ATOM 340 HH12 ARG A 98 -16.509 -8.701 2.102 1.00 0.00 H ATOM 341 HH11 ARG A 98 -15.322 -8.906 3.441 1.00 0.00 H ATOM 342 HH22 ARG A 98 -16.751 -6.555 1.106 1.00 0.00 H ATOM 343 HH21 ARG A 98 -15.739 -5.197 1.719 1.00 0.00 H ATOM 344 H ARG A 98 -13.132 -2.882 5.551 1.00 0.00 H ATOM 345 N GLN A 99 -10.194 -3.373 4.020 1.00 23.39 N ATOM 346 CA GLN A 99 -8.951 -3.201 3.262 1.00 23.74 C ATOM 347 C GLN A 99 -7.915 -2.499 4.144 1.00 23.35 C ATOM 348 O GLN A 99 -6.788 -2.903 4.151 1.00 25.29 O ATOM 349 CB GLN A 99 -9.136 -2.405 1.978 1.00 26.82 C ATOM 350 CG GLN A 99 -7.900 -2.489 1.063 1.00 34.14 C ATOM 351 CD GLN A 99 -7.430 -3.898 0.755 1.00 40.21 C ATOM 352 OE1 GLN A 99 -8.193 -4.730 0.248 1.00 43.45 O ATOM 353 NE2 GLN A 99 -6.176 -4.196 1.101 1.00 34.35 N ATOM 354 HE22 GLN A 99 -5.566 -3.468 1.525 1.00 0.00 H ATOM 355 HE21 GLN A 99 -5.808 -5.157 0.947 1.00 0.00 H ATOM 356 H GLN A 99 -11.045 -2.846 3.738 1.00 0.00 H ATOM 357 N ALA A 100 -8.337 -1.464 4.890 1.00 22.58 N ATOM 358 CA ALA A 100 -7.434 -0.676 5.693 1.00 19.95 C ATOM 359 C ALA A 100 -6.786 -1.583 6.751 1.00 19.65 C ATOM 360 O ALA A 100 -5.616 -1.493 6.969 1.00 19.61 O ATOM 361 CB ALA A 100 -8.168 0.477 6.325 1.00 21.25 C ATOM 362 H ALA A 100 -9.349 -1.223 4.888 1.00 0.00 H ATOM 363 N GLY A 101 -7.582 -2.471 7.356 1.00 21.28 N ATOM 364 CA GLY A 101 -7.098 -3.401 8.361 1.00 24.54 C ATOM 365 C GLY A 101 -6.133 -4.419 7.768 1.00 22.49 C ATOM 366 O GLY A 101 -5.149 -4.768 8.407 1.00 20.15 O ATOM 367 H GLY A 101 -8.589 -2.497 7.096 1.00 0.00 H ATOM 368 N ASP A 102 -6.456 -4.952 6.587 1.00 23.79 N ATOM 369 CA ASP A 102 -5.597 -5.907 5.902 1.00 23.96 C ATOM 370 C ASP A 102 -4.247 -5.253 5.600 1.00 23.02 C ATOM 371 O ASP A 102 -3.215 -5.872 5.811 1.00 22.31 O ATOM 372 CB ASP A 102 -6.229 -6.408 4.598 1.00 27.62 C ATOM 373 CG ASP A 102 -7.332 -7.438 4.812 1.00 32.02 C ATOM 374 OD1 ASP A 102 -7.315 -8.118 5.854 1.00 39.32 O ATOM 375 OD2 ASP A 102 -8.206 -7.561 3.940 1.00 36.37 O ATOM 376 H ASP A 102 -7.353 -4.675 6.141 1.00 0.00 H ATOM 377 N ASP A 103 -4.232 -3.999 5.141 1.00 22.96 N ATOM 378 CA ASP A 103 -2.971 -3.314 4.876 1.00 23.05 C ATOM 379 C ASP A 103 -2.204 -3.111 6.185 1.00 24.48 C ATOM 380 O ASP A 103 -0.995 -3.153 6.192 1.00 21.30 O ATOM 381 CB ASP A 103 -3.137 -1.922 4.270 1.00 26.73 C ATOM 382 CG ASP A 103 -3.964 -1.898 3.002 1.00 35.27 C ATOM 383 OD1 ASP A 103 -3.948 -2.909 2.290 1.00 37.12 O ATOM 384 OD2 ASP A 103 -4.610 -0.848 2.749 1.00 42.94 O ATOM 385 H ASP A 103 -5.131 -3.504 4.970 1.00 0.00 H ATOM 386 N PHE A 104 -2.932 -2.824 7.271 1.00 21.39 N ATOM 387 CA PHE A 104 -2.288 -2.598 8.571 1.00 20.62 C ATOM 388 C PHE A 104 -1.571 -3.882 9.003 1.00 22.22 C ATOM 389 O PHE A 104 -0.479 -3.824 9.507 1.00 21.64 O ATOM 390 CB PHE A 104 -3.333 -2.145 9.616 1.00 19.70 C ATOM 391 CG PHE A 104 -2.732 -1.671 10.914 1.00 19.46 C ATOM 392 CD1 PHE A 104 -2.386 -0.355 11.098 1.00 18.54 C ATOM 393 CD2 PHE A 104 -2.513 -2.557 11.966 1.00 20.46 C ATOM 394 CE1 PHE A 104 -1.773 0.058 12.272 1.00 19.41 C ATOM 395 CE2 PHE A 104 -1.954 -2.137 13.168 1.00 20.57 C ATOM 396 CZ PHE A 104 -1.586 -0.826 13.314 1.00 20.05 C ATOM 397 H PHE A 104 -3.967 -2.760 7.193 1.00 0.00 H ATOM 398 N SER A 105 -2.216 -5.040 8.840 1.00 23.18 N ATOM 399 CA SER A 105 -1.646 -6.313 9.213 1.00 27.92 C ATOM 400 C SER A 105 -0.423 -6.661 8.347 1.00 27.02 C ATOM 401 O SER A 105 0.588 -7.187 8.889 1.00 28.30 O ATOM 402 CB SER A 105 -2.676 -7.407 9.183 1.00 28.80 C ATOM 403 OG SER A 105 -3.003 -7.692 10.529 1.00 34.71 O ATOM 404 HG SER A 105 -3.682 -8.411 10.557 1.00 0.00 H ATOM 405 H SER A 105 -3.170 -5.024 8.427 1.00 0.00 H ATOM 406 N LEU A 106 -0.489 -6.289 7.067 1.00 25.61 N ATOM 407 CA LEU A 106 0.618 -6.544 6.143 1.00 30.45 C ATOM 408 C LEU A 106 1.850 -5.758 6.592 1.00 27.55 C ATOM 409 O LEU A 106 2.924 -6.333 6.712 1.00 31.33 O ATOM 410 CB LEU A 106 0.242 -6.182 4.703 1.00 36.25 C ATOM 411 CG LEU A 106 1.282 -6.599 3.656 1.00 43.32 C ATOM 412 CD1 LEU A 106 1.552 -8.105 3.719 1.00 41.32 C ATOM 413 CD2 LEU A 106 0.828 -6.203 2.253 1.00 45.13 C ATOM 414 H LEU A 106 -1.343 -5.809 6.719 1.00 0.00 H ATOM 415 N ARG A 107 1.668 -4.483 6.933 1.00 21.47 N ATOM 416 CA ARG A 107 2.763 -3.637 7.320 1.00 21.38 C ATOM 417 C ARG A 107 3.312 -4.079 8.682 1.00 22.06 C ATOM 418 O ARG A 107 4.471 -4.056 8.832 1.00 19.99 O ATOM 419 CB ARG A 107 2.331 -2.166 7.380 1.00 23.05 C ATOM 420 CG ARG A 107 3.444 -1.192 7.717 1.00 24.85 C ATOM 421 CD ARG A 107 3.151 0.264 7.381 1.00 28.30 C ATOM 422 NE ARG A 107 4.364 1.085 7.545 1.00 30.00 N ATOM 423 CZ ARG A 107 5.313 1.202 6.609 1.00 34.38 C ATOM 424 NH1 ARG A 107 5.142 0.611 5.430 1.00 31.98 N ATOM 425 NH2 ARG A 107 6.434 1.866 6.860 1.00 32.19 N ATOM 426 HE ARG A 107 4.489 1.602 8.438 1.00 0.00 H ATOM 427 HH12 ARG A 107 5.873 0.695 4.695 1.00 0.00 H ATOM 428 HH11 ARG A 107 4.277 0.065 5.243 1.00 0.00 H ATOM 429 HH22 ARG A 107 7.164 1.950 6.124 1.00 0.00 H ATOM 430 HH21 ARG A 107 6.582 2.302 7.792 1.00 0.00 H ATOM 431 H ARG A 107 0.706 -4.089 6.919 1.00 0.00 H ATOM 432 N TYR A 108 2.451 -4.368 9.689 1.00 19.57 N ATOM 433 CA TYR A 108 2.881 -4.550 11.098 1.00 20.55 C ATOM 434 C TYR A 108 2.809 -6.014 11.559 1.00 22.72 C ATOM 435 O TYR A 108 2.775 -6.280 12.764 1.00 20.54 O ATOM 436 CB TYR A 108 2.034 -3.641 12.000 1.00 20.06 C ATOM 437 CG TYR A 108 2.255 -2.191 11.651 1.00 19.78 C ATOM 438 CD1 TYR A 108 3.487 -1.575 11.843 1.00 19.37 C ATOM 439 CD2 TYR A 108 1.267 -1.470 11.024 1.00 18.42 C ATOM 440 CE1 TYR A 108 3.703 -0.266 11.443 1.00 21.07 C ATOM 441 CE2 TYR A 108 1.457 -0.145 10.666 1.00 21.26 C ATOM 442 CZ TYR A 108 2.683 0.467 10.881 1.00 20.53 C ATOM 443 OH TYR A 108 2.890 1.767 10.468 1.00 21.34 O ATOM 444 HH TYR A 108 2.763 1.825 9.488 1.00 0.00 H ATOM 445 H TYR A 108 1.441 -4.467 9.463 1.00 0.00 H ATOM 446 N ARG A 109 2.850 -6.954 10.606 1.00 24.38 N ATOM 447 CA ARG A 109 2.805 -8.392 10.875 1.00 24.63 C ATOM 448 C ARG A 109 3.781 -8.748 12.004 1.00 24.37 C ATOM 449 O ARG A 109 3.427 -9.389 12.994 1.00 20.61 O ATOM 450 CB ARG A 109 3.130 -9.133 9.569 1.00 26.17 C ATOM 451 CG ARG A 109 3.488 -10.606 9.705 1.00 29.39 C ATOM 452 CD ARG A 109 3.630 -11.225 8.321 1.00 29.75 C ATOM 453 NE ARG A 109 2.424 -11.096 7.513 1.00 32.41 N ATOM 454 CZ ARG A 109 2.348 -11.382 6.216 1.00 35.91 C ATOM 455 NH1 ARG A 109 3.360 -11.975 5.608 1.00 38.61 N ATOM 456 NH2 ARG A 109 1.280 -11.041 5.516 1.00 32.75 N ATOM 457 HE ARG A 109 1.561 -10.756 7.984 1.00 0.00 H ATOM 458 HH12 ARG A 109 3.299 -12.198 4.594 1.00 0.00 H ATOM 459 HH11 ARG A 109 4.218 -12.219 6.143 1.00 0.00 H ATOM 460 HH22 ARG A 109 1.228 -11.268 4.502 1.00 0.00 H ATOM 461 HH21 ARG A 109 0.491 -10.545 5.979 1.00 0.00 H ATOM 462 H ARG A 109 2.918 -6.644 9.616 1.00 0.00 H ATOM 463 N ARG A 110 5.023 -8.337 11.846 1.00 23.96 N ATOM 464 CA ARG A 110 6.094 -8.697 12.797 1.00 28.59 C ATOM 465 C ARG A 110 5.835 -8.110 14.188 1.00 25.50 C ATOM 466 O ARG A 110 6.145 -8.735 15.227 1.00 24.05 O ATOM 467 CB ARG A 110 7.443 -8.180 12.290 1.00 32.96 C ATOM 468 CG ARG A 110 7.943 -8.941 11.078 1.00 44.07 C ATOM 469 CD ARG A 110 9.292 -8.451 10.582 1.00 50.86 C ATOM 470 NE ARG A 110 9.781 -9.325 9.520 1.00 59.57 N ATOM 471 CZ ARG A 110 11.055 -9.400 9.125 1.00 71.83 C ATOM 472 NH1 ARG A 110 11.961 -8.581 9.644 1.00 64.73 N ATOM 473 NH2 ARG A 110 11.414 -10.302 8.221 1.00 74.75 N ATOM 474 HE ARG A 110 9.089 -9.932 9.037 1.00 0.00 H ATOM 475 HH12 ARG A 110 12.953 -8.640 9.336 1.00 0.00 H ATOM 476 HH11 ARG A 110 11.679 -7.880 10.359 1.00 0.00 H ATOM 477 HH22 ARG A 110 12.405 -10.362 7.912 1.00 0.00 H ATOM 478 HH21 ARG A 110 10.704 -10.949 7.821 1.00 0.00 H ATOM 479 H ARG A 110 5.256 -7.741 11.026 1.00 0.00 H ATOM 480 N ASP A 111 5.340 -6.877 14.198 1.00 22.00 N ATOM 481 CA ASP A 111 5.032 -6.179 15.423 1.00 21.36 C ATOM 482 C ASP A 111 3.911 -6.908 16.151 1.00 19.47 C ATOM 483 O ASP A 111 3.950 -7.024 17.368 1.00 19.89 O ATOM 484 CB ASP A 111 4.676 -4.722 15.170 1.00 21.98 C ATOM 485 CG ASP A 111 5.799 -4.006 14.427 1.00 24.91 C ATOM 486 OD1 ASP A 111 6.803 -3.665 15.072 1.00 27.34 O ATOM 487 OD2 ASP A 111 5.677 -3.897 13.226 1.00 26.09 O ATOM 488 H ASP A 111 5.168 -6.398 13.291 1.00 0.00 H ATOM 489 N PHE A 112 2.890 -7.358 15.415 1.00 17.25 N ATOM 490 CA PHE A 112 1.799 -8.135 16.062 1.00 17.75 C ATOM 491 C PHE A 112 2.389 -9.392 16.719 1.00 19.05 C ATOM 492 O PHE A 112 1.953 -9.790 17.778 1.00 17.28 O ATOM 493 CB PHE A 112 0.678 -8.506 15.095 1.00 18.96 C ATOM 494 CG PHE A 112 -0.363 -7.447 14.885 1.00 18.84 C ATOM 495 CD1 PHE A 112 -1.229 -7.116 15.919 1.00 20.11 C ATOM 496 CD2 PHE A 112 -0.533 -6.820 13.652 1.00 19.92 C ATOM 497 CE1 PHE A 112 -2.203 -6.136 15.740 1.00 22.05 C ATOM 498 CE2 PHE A 112 -1.515 -5.858 13.470 1.00 20.90 C ATOM 499 CZ PHE A 112 -2.384 -5.551 14.504 1.00 18.91 C ATOM 500 H PHE A 112 2.858 -7.166 14.393 1.00 0.00 H ATOM 501 N ALA A 113 3.299 -10.090 16.021 1.00 18.26 N ATOM 502 CA ALA A 113 3.847 -11.322 16.520 1.00 17.89 C ATOM 503 C ALA A 113 4.663 -11.114 17.789 1.00 17.68 C ATOM 504 O ALA A 113 4.522 -11.891 18.699 1.00 20.19 O ATOM 505 CB ALA A 113 4.705 -11.960 15.465 1.00 16.90 C ATOM 506 H ALA A 113 3.615 -9.731 15.097 1.00 0.00 H ATOM 507 N GLN A 114 5.386 -10.006 17.863 1.00 18.69 N ATOM 508 CA GLN A 114 6.169 -9.648 19.028 1.00 20.93 C ATOM 509 C GLN A 114 5.211 -9.248 20.166 1.00 21.14 C ATOM 510 O GLN A 114 5.376 -9.680 21.269 1.00 23.15 O ATOM 511 CB GLN A 114 7.169 -8.527 18.719 1.00 23.92 C ATOM 512 H GLN A 114 5.392 -9.363 17.046 1.00 0.00 H ATOM 513 N MET A 115 4.194 -8.445 19.875 1.00 21.00 N ATOM 514 CA MET A 115 3.293 -7.985 20.907 1.00 22.70 C ATOM 515 C MET A 115 2.516 -9.144 21.545 1.00 22.35 C ATOM 516 O MET A 115 2.306 -9.128 22.755 1.00 21.65 O ATOM 517 CB MET A 115 2.302 -6.950 20.377 1.00 21.85 C ATOM 518 CG MET A 115 1.302 -6.461 21.444 1.00 22.81 C ATOM 519 SD MET A 115 0.218 -5.177 20.789 1.00 25.17 S ATOM 520 CE MET A 115 -0.829 -6.225 19.807 1.00 22.46 C ATOM 521 H MET A 115 4.044 -8.143 18.891 1.00 0.00 H ATOM 522 N SER A 116 2.003 -10.076 20.733 1.00 21.98 N ATOM 523 CA SER A 116 1.312 -11.242 21.188 1.00 22.73 C ATOM 524 C SER A 116 2.133 -11.988 22.255 1.00 23.04 C ATOM 525 O SER A 116 1.620 -12.382 23.287 1.00 20.79 O ATOM 526 CB SER A 116 0.998 -12.154 20.034 1.00 24.66 C ATOM 527 OG SER A 116 0.520 -13.394 20.517 1.00 31.27 O ATOM 528 HG SER A 116 0.316 -13.988 19.752 1.00 0.00 H ATOM 529 H SER A 116 2.114 -9.944 19.707 1.00 0.00 H ATOM 530 N SER A 117 3.390 -12.210 21.946 1.00 19.72 N ATOM 531 CA SER A 117 4.363 -12.866 22.818 1.00 24.63 C ATOM 532 C SER A 117 4.473 -12.132 24.160 1.00 26.82 C ATOM 533 O SER A 117 4.339 -12.779 25.248 1.00 26.86 O ATOM 534 CB SER A 117 5.667 -13.041 22.036 1.00 26.46 C ATOM 535 OG SER A 117 6.660 -13.647 22.814 1.00 29.60 O ATOM 536 HG SER A 117 7.486 -13.743 22.277 1.00 0.00 H ATOM 537 H SER A 117 3.718 -11.895 21.011 1.00 0.00 H ATOM 538 N GLN A 118 4.504 -10.800 24.123 1.00 23.65 N ATOM 539 CA GLN A 118 4.587 -9.978 25.337 1.00 29.23 C ATOM 540 C GLN A 118 3.295 -10.124 26.167 1.00 27.92 C ATOM 541 O GLN A 118 3.351 -10.169 27.378 1.00 29.22 O ATOM 542 CB GLN A 118 4.791 -8.495 24.993 1.00 32.25 C ATOM 543 CG GLN A 118 6.041 -8.183 24.177 1.00 39.26 C ATOM 544 CD GLN A 118 6.027 -6.825 23.491 1.00 47.96 C ATOM 545 OE1 GLN A 118 5.076 -6.039 23.571 1.00 50.15 O ATOM 546 NE2 GLN A 118 7.112 -6.528 22.787 1.00 53.79 N ATOM 547 HE22 GLN A 118 7.899 -7.205 22.734 1.00 0.00 H ATOM 548 HE21 GLN A 118 7.175 -5.618 22.288 1.00 0.00 H ATOM 549 H GLN A 118 4.468 -10.325 23.199 1.00 0.00 H ATOM 550 N LEU A 119 2.129 -10.193 25.510 1.00 22.97 N ATOM 551 CA LEU A 119 0.815 -10.128 26.174 1.00 26.85 C ATOM 552 C LEU A 119 0.435 -11.475 26.793 1.00 26.16 C ATOM 553 O LEU A 119 -0.330 -11.470 27.742 1.00 26.63 O ATOM 554 CB LEU A 119 -0.274 -9.708 25.174 1.00 30.02 C ATOM 555 CG LEU A 119 -0.162 -8.282 24.611 1.00 33.69 C ATOM 556 CD1 LEU A 119 -1.236 -8.058 23.578 1.00 34.74 C ATOM 557 CD2 LEU A 119 -0.267 -7.219 25.691 1.00 34.23 C ATOM 558 H LEU A 119 2.153 -10.298 24.476 1.00 0.00 H ATOM 559 N HIS A 120 0.843 -12.586 26.157 1.00 24.28 N ATOM 560 CA HIS A 120 0.609 -13.924 26.648 1.00 26.12 C ATOM 561 C HIS A 120 -0.873 -14.113 26.926 1.00 24.60 C ATOM 562 O HIS A 120 -1.284 -14.224 28.057 1.00 26.92 O ATOM 563 CB HIS A 120 1.411 -14.213 27.918 1.00 28.07 C ATOM 564 CG HIS A 120 1.349 -15.644 28.321 1.00 33.02 C ATOM 565 ND1 HIS A 120 1.779 -16.672 27.469 1.00 37.84 N ATOM 566 CD2 HIS A 120 0.910 -16.241 29.450 1.00 34.24 C ATOM 567 CE1 HIS A 120 1.631 -17.830 28.074 1.00 34.40 C ATOM 568 NE2 HIS A 120 1.094 -17.594 29.299 1.00 37.82 N ATOM 569 H HIS A 120 1.357 -12.476 25.260 1.00 0.00 H ATOM 570 N LEU A 121 -1.652 -14.217 25.850 1.00 23.97 N ATOM 571 CA LEU A 121 -3.054 -14.333 25.924 1.00 24.14 C ATOM 572 C LEU A 121 -3.490 -15.572 26.720 1.00 24.12 C ATOM 573 O LEU A 121 -3.139 -16.679 26.347 1.00 22.71 O ATOM 574 CB LEU A 121 -3.566 -14.468 24.500 1.00 23.56 C ATOM 575 CG LEU A 121 -5.075 -14.458 24.367 1.00 26.97 C ATOM 576 CD1 LEU A 121 -5.632 -13.115 24.826 1.00 26.96 C ATOM 577 CD2 LEU A 121 -5.481 -14.762 22.923 1.00 27.42 C ATOM 578 H LEU A 121 -1.204 -14.212 24.911 1.00 0.00 H ATOM 579 N THR A 122 -4.380 -15.345 27.705 1.00 23.67 N ATOM 580 CA THR A 122 -5.085 -16.381 28.495 1.00 23.88 C ATOM 581 C THR A 122 -6.448 -15.836 28.892 1.00 26.60 C ATOM 582 O THR A 122 -6.666 -14.614 28.864 1.00 23.11 O ATOM 583 CB THR A 122 -4.322 -16.786 29.755 1.00 27.28 C ATOM 584 OG1 THR A 122 -4.412 -15.724 30.703 1.00 26.69 O ATOM 585 CG2 THR A 122 -2.858 -17.071 29.502 1.00 26.59 C ATOM 586 HG1 THR A 122 -4.014 -14.904 30.317 1.00 0.00 H ATOM 587 H THR A 122 -4.592 -14.352 27.932 1.00 0.00 H ATOM 588 N PRO A 123 -7.449 -16.690 29.214 1.00 29.73 N ATOM 589 CA PRO A 123 -8.772 -16.170 29.580 1.00 30.95 C ATOM 590 C PRO A 123 -8.709 -15.211 30.782 1.00 27.19 C ATOM 591 O PRO A 123 -9.451 -14.225 30.822 1.00 30.47 O ATOM 592 CB PRO A 123 -9.601 -17.450 29.776 1.00 31.26 C ATOM 593 CG PRO A 123 -8.903 -18.427 28.852 1.00 32.05 C ATOM 594 CD PRO A 123 -7.434 -18.164 29.129 1.00 30.70 C ATOM 595 N GLY A 124 -7.730 -15.412 31.655 1.00 27.07 N ATOM 596 CA GLY A 124 -7.577 -14.693 32.876 1.00 28.58 C ATOM 597 C GLY A 124 -7.005 -13.294 32.705 1.00 29.09 C ATOM 598 O GLY A 124 -7.194 -12.450 33.590 1.00 27.39 O ATOM 599 H GLY A 124 -7.026 -16.145 31.433 1.00 0.00 H ATOM 600 N THR A 125 -6.218 -13.067 31.630 1.00 26.03 N ATOM 601 CA THR A 125 -5.477 -11.842 31.425 1.00 25.96 C ATOM 602 C THR A 125 -5.896 -11.121 30.124 1.00 25.11 C ATOM 603 O THR A 125 -5.374 -10.063 29.801 1.00 22.58 O ATOM 604 CB THR A 125 -3.984 -12.158 31.410 1.00 28.13 C ATOM 605 OG1 THR A 125 -3.805 -13.050 30.316 1.00 25.67 O ATOM 606 CG2 THR A 125 -3.499 -12.807 32.689 1.00 32.14 C ATOM 607 HG1 THR A 125 -4.349 -13.864 30.463 1.00 0.00 H ATOM 608 H THR A 125 -6.141 -13.814 30.911 1.00 0.00 H ATOM 609 N ALA A 126 -6.854 -11.684 29.387 1.00 24.18 N ATOM 610 CA ALA A 126 -7.240 -11.133 28.098 1.00 24.94 C ATOM 611 C ALA A 126 -7.766 -9.701 28.250 1.00 25.21 C ATOM 612 O ALA A 126 -7.364 -8.817 27.518 1.00 19.08 O ATOM 613 CB ALA A 126 -8.281 -12.003 27.430 1.00 26.69 C ATOM 614 H ALA A 126 -7.335 -12.535 29.742 1.00 0.00 H ATOM 615 N TYR A 127 -8.703 -9.482 29.190 1.00 20.66 N ATOM 616 CA TYR A 127 -9.248 -8.134 29.352 1.00 21.67 C ATOM 617 C TYR A 127 -8.160 -7.117 29.727 1.00 19.99 C ATOM 618 O TYR A 127 -8.113 -6.022 29.167 1.00 21.57 O ATOM 619 CB TYR A 127 -10.428 -8.093 30.337 1.00 22.12 C ATOM 620 CG TYR A 127 -10.957 -6.682 30.449 1.00 24.04 C ATOM 621 CD1 TYR A 127 -11.745 -6.161 29.431 1.00 22.02 C ATOM 622 CD2 TYR A 127 -10.641 -5.847 31.512 1.00 24.03 C ATOM 623 CE1 TYR A 127 -12.164 -4.838 29.460 1.00 24.84 C ATOM 624 CE2 TYR A 127 -11.057 -4.520 31.549 1.00 26.01 C ATOM 625 CZ TYR A 127 -11.829 -4.019 30.516 1.00 26.12 C ATOM 626 OH TYR A 127 -12.269 -2.722 30.509 1.00 27.76 O ATOM 627 HH TYR A 127 -12.802 -2.560 29.690 1.00 0.00 H ATOM 628 H TYR A 127 -9.036 -10.261 29.794 1.00 0.00 H ATOM 629 N ALA A 128 -7.280 -7.449 30.669 1.00 18.61 N ATOM 630 CA ALA A 128 -6.257 -6.565 31.082 1.00 20.13 C ATOM 631 C ALA A 128 -5.367 -6.233 29.869 1.00 20.93 C ATOM 632 O ALA A 128 -4.927 -5.097 29.700 1.00 21.29 O ATOM 633 CB ALA A 128 -5.440 -7.202 32.164 1.00 21.52 C ATOM 634 H ALA A 128 -7.347 -8.386 31.114 1.00 0.00 H ATOM 635 N SER A 129 -5.116 -7.232 29.021 1.00 23.50 N ATOM 636 CA SER A 129 -4.199 -6.984 27.839 1.00 21.11 C ATOM 637 C SER A 129 -4.907 -6.090 26.830 1.00 20.16 C ATOM 638 O SER A 129 -4.298 -5.156 26.274 1.00 22.38 O ATOM 639 CB SER A 129 -3.790 -8.273 27.216 1.00 22.50 C ATOM 640 OG SER A 129 -3.010 -9.027 28.115 1.00 22.90 O ATOM 641 HG SER A 129 -3.538 -9.216 28.931 1.00 0.00 H ATOM 642 H SER A 129 -5.544 -8.168 29.169 1.00 0.00 H ATOM 643 N PHE A 130 -6.170 -6.413 26.548 1.00 22.35 N ATOM 644 CA PHE A 130 -7.003 -5.591 25.683 1.00 22.06 C ATOM 645 C PHE A 130 -6.959 -4.127 26.153 1.00 22.23 C ATOM 646 O PHE A 130 -6.686 -3.231 25.325 1.00 23.42 O ATOM 647 CB PHE A 130 -8.435 -6.122 25.577 1.00 22.18 C ATOM 648 CG PHE A 130 -9.338 -5.300 24.682 1.00 22.90 C ATOM 649 CD1 PHE A 130 -10.045 -4.212 25.180 1.00 23.24 C ATOM 650 CD2 PHE A 130 -9.453 -5.603 23.340 1.00 22.83 C ATOM 651 CE1 PHE A 130 -10.861 -3.454 24.355 1.00 24.24 C ATOM 652 CE2 PHE A 130 -10.258 -4.843 22.510 1.00 23.45 C ATOM 653 CZ PHE A 130 -10.949 -3.758 23.020 1.00 25.41 C ATOM 654 H PHE A 130 -6.572 -7.279 26.959 1.00 0.00 H ATOM 655 N ALA A 131 -7.269 -3.874 27.435 1.00 21.79 N ATOM 656 CA ALA A 131 -7.299 -2.519 28.039 1.00 23.23 C ATOM 657 C ALA A 131 -5.949 -1.802 27.912 1.00 23.07 C ATOM 658 O ALA A 131 -5.924 -0.595 27.577 1.00 24.89 O ATOM 659 CB ALA A 131 -7.738 -2.555 29.497 1.00 25.33 C ATOM 660 H ALA A 131 -7.504 -4.682 28.046 1.00 0.00 H ATOM 661 N THR A 132 -4.863 -2.516 28.200 1.00 23.43 N ATOM 662 CA THR A 132 -3.499 -2.013 28.102 1.00 24.93 C ATOM 663 C THR A 132 -3.156 -1.576 26.672 1.00 24.24 C ATOM 664 O THR A 132 -2.596 -0.509 26.476 1.00 24.46 O ATOM 665 CB THR A 132 -2.487 -3.053 28.578 1.00 26.81 C ATOM 666 OG1 THR A 132 -2.845 -3.405 29.922 1.00 29.58 O ATOM 667 CG2 THR A 132 -1.058 -2.571 28.475 1.00 27.08 C ATOM 668 HG1 THR A 132 -3.762 -3.779 29.931 1.00 0.00 H ATOM 669 H THR A 132 -4.997 -3.498 28.516 1.00 0.00 H ATOM 670 N VAL A 133 -3.425 -2.436 25.691 1.00 22.72 N ATOM 671 CA VAL A 133 -3.119 -2.119 24.316 1.00 21.67 C ATOM 672 C VAL A 133 -3.881 -0.870 23.864 1.00 19.70 C ATOM 673 O VAL A 133 -3.321 0.034 23.264 1.00 19.14 O ATOM 674 CB VAL A 133 -3.430 -3.303 23.388 1.00 21.86 C ATOM 675 CG1 VAL A 133 -3.262 -2.914 21.931 1.00 22.52 C ATOM 676 CG2 VAL A 133 -2.561 -4.479 23.722 1.00 22.14 C ATOM 677 H VAL A 133 -3.863 -3.351 25.919 1.00 0.00 H ATOM 678 N VAL A 134 -5.176 -0.843 24.127 1.00 23.86 N ATOM 679 CA VAL A 134 -6.059 0.223 23.692 1.00 24.85 C ATOM 680 C VAL A 134 -5.655 1.542 24.374 1.00 27.18 C ATOM 681 O VAL A 134 -5.628 2.615 23.731 1.00 24.82 O ATOM 682 CB VAL A 134 -7.512 -0.188 23.936 1.00 26.87 C ATOM 683 CG1 VAL A 134 -8.451 0.985 23.837 1.00 32.20 C ATOM 684 CG2 VAL A 134 -7.907 -1.274 22.942 1.00 29.13 C ATOM 685 H VAL A 134 -5.584 -1.627 24.675 1.00 0.00 H ATOM 686 N ALA A 135 -5.259 1.480 25.642 1.00 24.31 N ATOM 687 CA ALA A 135 -4.807 2.707 26.336 1.00 26.24 C ATOM 688 C ALA A 135 -3.541 3.288 25.679 1.00 25.99 C ATOM 689 O ALA A 135 -3.393 4.496 25.572 1.00 25.49 O ATOM 690 CB ALA A 135 -4.580 2.443 27.793 1.00 27.29 C ATOM 691 H ALA A 135 -5.267 0.570 26.146 1.00 0.00 H ATOM 692 N GLU A 136 -2.599 2.435 25.295 1.00 24.58 N ATOM 693 CA GLU A 136 -1.361 2.912 24.620 1.00 26.93 C ATOM 694 C GLU A 136 -1.677 3.444 23.218 1.00 25.17 C ATOM 695 O GLU A 136 -1.160 4.493 22.833 1.00 25.21 O ATOM 696 CB GLU A 136 -0.314 1.801 24.565 1.00 31.29 C ATOM 697 CG GLU A 136 0.322 1.513 25.904 1.00 35.40 C ATOM 698 CD GLU A 136 0.760 2.774 26.627 1.00 41.28 C ATOM 699 OE1 GLU A 136 1.774 3.311 26.169 1.00 39.95 O ATOM 700 OE2 GLU A 136 0.020 3.276 27.587 1.00 44.28 O ATOM 701 H GLU A 136 -2.728 1.418 25.468 1.00 0.00 H ATOM 702 N LEU A 137 -2.510 2.703 22.462 1.00 23.62 N ATOM 703 CA LEU A 137 -2.901 3.060 21.092 1.00 21.95 C ATOM 704 C LEU A 137 -3.430 4.487 21.014 1.00 19.85 C ATOM 705 O LEU A 137 -3.054 5.278 20.127 1.00 16.83 O ATOM 706 CB LEU A 137 -3.955 2.068 20.583 1.00 21.25 C ATOM 707 CG LEU A 137 -4.526 2.385 19.200 1.00 19.67 C ATOM 708 CD1 LEU A 137 -3.412 2.525 18.137 1.00 20.16 C ATOM 709 CD2 LEU A 137 -5.474 1.277 18.809 1.00 19.56 C ATOM 710 H LEU A 137 -2.898 1.829 22.871 1.00 0.00 H ATOM 711 N PHE A 138 -4.299 4.837 21.953 1.00 20.04 N ATOM 712 CA PHE A 138 -4.975 6.129 21.912 1.00 21.81 C ATOM 713 C PHE A 138 -4.391 7.163 22.875 1.00 24.77 C ATOM 714 O PHE A 138 -5.005 8.231 23.058 1.00 23.95 O ATOM 715 CB PHE A 138 -6.449 5.921 22.247 1.00 21.62 C ATOM 716 CG PHE A 138 -7.153 5.205 21.131 1.00 20.51 C ATOM 717 CD1 PHE A 138 -7.278 5.807 19.888 1.00 20.75 C ATOM 718 CD2 PHE A 138 -7.632 3.918 21.303 1.00 21.12 C ATOM 719 CE1 PHE A 138 -7.962 5.168 18.879 1.00 18.95 C ATOM 720 CE2 PHE A 138 -8.285 3.265 20.265 1.00 19.45 C ATOM 721 CZ PHE A 138 -8.460 3.902 19.080 1.00 21.03 C ATOM 722 H PHE A 138 -4.502 4.179 22.732 1.00 0.00 H ATOM 723 N ARG A 139 -3.204 6.902 23.401 1.00 22.10 N ATOM 724 CA ARG A 139 -2.555 7.805 24.362 1.00 27.64 C ATOM 725 C ARG A 139 -2.360 9.223 23.803 1.00 28.19 C ATOM 726 O ARG A 139 -2.417 10.167 24.612 1.00 29.71 O ATOM 727 CB ARG A 139 -1.181 7.275 24.763 1.00 30.52 C ATOM 728 CG ARG A 139 -0.567 7.957 25.978 1.00 38.46 C ATOM 729 CD ARG A 139 0.689 7.223 26.430 1.00 49.36 C ATOM 730 NE ARG A 139 1.906 7.868 25.948 1.00 59.81 N ATOM 731 CZ ARG A 139 3.145 7.465 26.212 1.00 59.34 C ATOM 732 NH1 ARG A 139 3.576 6.265 25.856 1.00 57.69 N ATOM 733 NH2 ARG A 139 3.957 8.291 26.839 1.00 58.66 N ATOM 734 HE ARG A 139 1.795 8.711 25.349 1.00 0.00 H ATOM 735 HH12 ARG A 139 4.551 5.976 26.076 1.00 0.00 H ATOM 736 HH11 ARG A 139 2.940 5.611 25.357 1.00 0.00 H ATOM 737 HH22 ARG A 139 4.931 7.998 27.056 1.00 0.00 H ATOM 738 HH21 ARG A 139 3.624 9.236 27.117 1.00 0.00 H ATOM 739 H ARG A 139 -2.714 6.027 23.124 1.00 0.00 H ATOM 740 N ASP A 140 -2.103 9.369 22.491 1.00 26.88 N ATOM 741 CA ASP A 140 -1.896 10.678 21.847 1.00 25.20 C ATOM 742 C ASP A 140 -3.141 11.134 21.102 1.00 25.58 C ATOM 743 O ASP A 140 -3.039 12.055 20.291 1.00 23.18 O ATOM 744 CB ASP A 140 -0.687 10.644 20.926 1.00 28.09 C ATOM 745 CG ASP A 140 0.607 10.522 21.696 1.00 28.46 C ATOM 746 OD1 ASP A 140 0.638 10.961 22.857 1.00 25.12 O ATOM 747 OD2 ASP A 140 1.574 9.990 21.110 1.00 29.78 O ATOM 748 H ASP A 140 -2.048 8.514 21.901 1.00 0.00 H ATOM 749 N GLY A 141 -4.300 10.577 21.474 1.00 21.01 N ATOM 750 CA GLY A 141 -5.560 11.012 20.997 1.00 22.55 C ATOM 751 C GLY A 141 -6.060 10.105 19.902 1.00 23.71 C ATOM 752 O GLY A 141 -5.324 9.185 19.468 1.00 24.04 O ATOM 753 H GLY A 141 -4.274 9.785 22.147 1.00 0.00 H ATOM 754 N VAL A 142 -7.285 10.359 19.446 1.00 24.76 N ATOM 755 CA VAL A 142 -7.951 9.520 18.426 1.00 25.40 C ATOM 756 C VAL A 142 -7.714 10.101 17.026 1.00 22.14 C ATOM 757 O VAL A 142 -7.760 11.313 16.822 1.00 19.60 O ATOM 758 CB VAL A 142 -9.450 9.366 18.752 1.00 25.55 C ATOM 759 CG1 VAL A 142 -10.210 8.489 17.768 1.00 24.57 C ATOM 760 CG2 VAL A 142 -9.612 8.857 20.165 1.00 23.57 C ATOM 761 H VAL A 142 -7.796 11.183 19.823 1.00 0.00 H ATOM 762 N ASN A 143 -7.454 9.204 16.060 1.00 22.08 N ATOM 763 CA ASN A 143 -7.657 9.531 14.676 1.00 20.24 C ATOM 764 C ASN A 143 -8.060 8.237 13.953 1.00 19.74 C ATOM 765 O ASN A 143 -8.032 7.149 14.537 1.00 19.10 O ATOM 766 CB ASN A 143 -6.446 10.265 14.086 1.00 21.64 C ATOM 767 CG ASN A 143 -5.130 9.499 14.119 1.00 22.12 C ATOM 768 OD1 ASN A 143 -5.089 8.248 14.067 1.00 19.40 O ATOM 769 ND2 ASN A 143 -4.027 10.245 14.185 1.00 20.61 N ATOM 770 HD22 ASN A 143 -4.102 11.281 14.227 1.00 0.00 H ATOM 771 HD21 ASN A 143 -3.092 9.790 14.195 1.00 0.00 H ATOM 772 H ASN A 143 -7.101 8.260 16.318 1.00 0.00 H ATOM 773 N TRP A 144 -8.452 8.369 12.681 1.00 18.80 N ATOM 774 CA TRP A 144 -8.919 7.236 11.941 1.00 21.47 C ATOM 775 C TRP A 144 -7.864 6.115 11.886 1.00 20.85 C ATOM 776 O TRP A 144 -8.220 4.926 11.979 1.00 19.27 O ATOM 777 CB TRP A 144 -9.386 7.663 10.555 1.00 19.78 C ATOM 778 CG TRP A 144 -10.677 8.405 10.591 1.00 22.73 C ATOM 779 CD1 TRP A 144 -10.895 9.681 10.168 1.00 24.50 C ATOM 780 CD2 TRP A 144 -11.941 7.917 11.074 1.00 25.22 C ATOM 781 NE1 TRP A 144 -12.217 9.999 10.327 1.00 27.68 N ATOM 782 CE2 TRP A 144 -12.887 8.945 10.862 1.00 28.33 C ATOM 783 CE3 TRP A 144 -12.394 6.693 11.578 1.00 27.21 C ATOM 784 CZ2 TRP A 144 -14.231 8.805 11.189 1.00 26.78 C ATOM 785 CZ3 TRP A 144 -13.724 6.559 11.917 1.00 28.43 C ATOM 786 CH2 TRP A 144 -14.629 7.606 11.721 1.00 28.40 C ATOM 787 HE1 TRP A 144 -12.645 10.913 10.075 1.00 0.00 H ATOM 788 H TRP A 144 -8.417 9.303 12.225 1.00 0.00 H ATOM 789 N GLY A 145 -6.592 6.495 11.700 1.00 20.27 N ATOM 790 CA GLY A 145 -5.530 5.506 11.560 1.00 22.25 C ATOM 791 C GLY A 145 -5.477 4.604 12.794 1.00 20.39 C ATOM 792 O GLY A 145 -5.242 3.393 12.703 1.00 19.41 O ATOM 793 H GLY A 145 -6.360 7.508 11.655 1.00 0.00 H ATOM 794 N ARG A 146 -5.704 5.209 13.956 1.00 19.84 N ATOM 795 CA ARG A 146 -5.600 4.531 15.239 1.00 21.94 C ATOM 796 C ARG A 146 -6.855 3.689 15.451 1.00 20.39 C ATOM 797 O ARG A 146 -6.771 2.609 16.025 1.00 21.11 O ATOM 798 CB ARG A 146 -5.367 5.562 16.351 1.00 23.03 C ATOM 799 CG ARG A 146 -3.957 6.134 16.292 1.00 22.94 C ATOM 800 CD ARG A 146 -3.723 7.324 17.210 1.00 23.01 C ATOM 801 NE ARG A 146 -2.438 7.952 16.891 1.00 22.94 N ATOM 802 CZ ARG A 146 -2.126 9.184 17.278 1.00 22.58 C ATOM 803 NH1 ARG A 146 -2.867 9.816 18.187 1.00 20.83 N ATOM 804 NH2 ARG A 146 -1.085 9.771 16.738 1.00 20.36 N ATOM 805 HE ARG A 146 -1.742 7.411 16.339 1.00 0.00 H ATOM 806 HH12 ARG A 146 -2.615 10.780 18.484 1.00 0.00 H ATOM 807 HH11 ARG A 146 -3.697 9.345 18.600 1.00 0.00 H ATOM 808 HH22 ARG A 146 -0.824 10.735 17.027 1.00 0.00 H ATOM 809 HH21 ARG A 146 -0.521 9.272 16.021 1.00 0.00 H ATOM 810 H ARG A 146 -5.968 6.215 13.947 1.00 0.00 H ATOM 811 N ILE A 147 -7.989 4.140 14.900 1.00 18.33 N ATOM 812 CA ILE A 147 -9.219 3.359 14.910 1.00 19.48 C ATOM 813 C ILE A 147 -9.055 2.111 14.030 1.00 18.71 C ATOM 814 O ILE A 147 -9.467 1.020 14.419 1.00 18.43 O ATOM 815 CB ILE A 147 -10.432 4.227 14.526 1.00 21.29 C ATOM 816 CG1 ILE A 147 -10.747 5.224 15.649 1.00 22.55 C ATOM 817 CG2 ILE A 147 -11.642 3.385 14.203 1.00 21.16 C ATOM 818 CD1 ILE A 147 -11.857 6.178 15.298 1.00 22.21 C ATOM 819 H ILE A 147 -7.992 5.078 14.450 1.00 0.00 H ATOM 820 N VAL A 148 -8.362 2.230 12.896 1.00 16.56 N ATOM 821 CA VAL A 148 -8.102 1.042 12.054 1.00 15.44 C ATOM 822 C VAL A 148 -7.243 0.059 12.840 1.00 16.27 C ATOM 823 O VAL A 148 -7.512 -1.155 12.835 1.00 17.42 O ATOM 824 CB VAL A 148 -7.432 1.454 10.725 1.00 17.63 C ATOM 825 CG1 VAL A 148 -6.784 0.280 10.005 1.00 19.16 C ATOM 826 CG2 VAL A 148 -8.439 2.175 9.828 1.00 16.82 C ATOM 827 H VAL A 148 -8.003 3.161 12.603 1.00 0.00 H ATOM 828 N ALA A 149 -6.227 0.585 13.508 1.00 15.21 N ATOM 829 CA ALA A 149 -5.332 -0.261 14.339 1.00 15.58 C ATOM 830 C ALA A 149 -6.152 -1.011 15.386 1.00 16.32 C ATOM 831 O ALA A 149 -5.864 -2.169 15.702 1.00 18.69 O ATOM 832 CB ALA A 149 -4.273 0.585 14.997 1.00 17.74 C ATOM 833 H ALA A 149 -6.053 1.609 13.450 1.00 0.00 H ATOM 834 N PHE A 150 -7.103 -0.301 15.978 1.00 16.31 N ATOM 835 CA PHE A 150 -7.984 -0.856 17.029 1.00 18.40 C ATOM 836 C PHE A 150 -8.712 -2.094 16.515 1.00 18.31 C ATOM 837 O PHE A 150 -8.783 -3.136 17.229 1.00 18.08 O ATOM 838 CB PHE A 150 -8.890 0.263 17.508 1.00 18.40 C ATOM 839 CG PHE A 150 -10.102 -0.132 18.308 1.00 19.52 C ATOM 840 CD1 PHE A 150 -9.998 -0.366 19.672 1.00 22.62 C ATOM 841 CD2 PHE A 150 -11.330 -0.293 17.688 1.00 20.25 C ATOM 842 CE1 PHE A 150 -11.122 -0.708 20.412 1.00 23.44 C ATOM 843 CE2 PHE A 150 -12.448 -0.667 18.429 1.00 22.95 C ATOM 844 CZ PHE A 150 -12.349 -0.809 19.792 1.00 22.98 C ATOM 845 H PHE A 150 -7.235 0.690 15.691 1.00 0.00 H ATOM 846 N PHE A 151 -9.381 -1.914 15.364 1.00 19.68 N ATOM 847 CA PHE A 151 -10.150 -2.976 14.733 1.00 19.34 C ATOM 848 C PHE A 151 -9.224 -4.154 14.441 1.00 20.04 C ATOM 849 O PHE A 151 -9.537 -5.264 14.814 1.00 17.33 O ATOM 850 CB PHE A 151 -10.911 -2.494 13.497 1.00 20.47 C ATOM 851 CG PHE A 151 -12.245 -1.888 13.835 1.00 21.75 C ATOM 852 CD1 PHE A 151 -13.386 -2.670 13.992 1.00 21.21 C ATOM 853 CD2 PHE A 151 -12.355 -0.517 14.006 1.00 21.06 C ATOM 854 CE1 PHE A 151 -14.607 -2.082 14.283 1.00 22.67 C ATOM 855 CE2 PHE A 151 -13.576 0.076 14.297 1.00 23.23 C ATOM 856 CZ PHE A 151 -14.701 -0.708 14.444 1.00 22.95 C ATOM 857 H PHE A 151 -9.348 -0.980 14.907 1.00 0.00 H ATOM 858 N GLU A 152 -8.093 -3.909 13.774 1.00 16.49 N ATOM 859 CA GLU A 152 -7.238 -4.999 13.381 1.00 18.42 C ATOM 860 C GLU A 152 -6.630 -5.699 14.615 1.00 18.88 C ATOM 861 O GLU A 152 -6.482 -6.914 14.627 1.00 18.23 O ATOM 862 CB GLU A 152 -6.146 -4.501 12.430 1.00 18.38 C ATOM 863 CG GLU A 152 -5.313 -5.643 11.859 1.00 21.03 C ATOM 864 CD GLU A 152 -6.032 -6.694 11.023 1.00 22.69 C ATOM 865 OE1 GLU A 152 -5.385 -7.664 10.603 1.00 26.09 O ATOM 866 OE2 GLU A 152 -7.200 -6.514 10.744 1.00 23.11 O ATOM 867 H GLU A 152 -7.830 -2.931 13.538 1.00 0.00 H ATOM 868 N PHE A 153 -6.339 -4.949 15.679 1.00 17.82 N ATOM 869 CA PHE A 153 -5.855 -5.562 16.955 1.00 18.95 C ATOM 870 C PHE A 153 -6.913 -6.518 17.522 1.00 17.43 C ATOM 871 O PHE A 153 -6.633 -7.679 17.765 1.00 16.88 O ATOM 872 CB PHE A 153 -5.530 -4.492 18.000 1.00 20.26 C ATOM 873 CG PHE A 153 -5.420 -5.029 19.404 1.00 21.53 C ATOM 874 CD1 PHE A 153 -4.489 -6.004 19.703 1.00 22.55 C ATOM 875 CD2 PHE A 153 -6.285 -4.608 20.413 1.00 24.42 C ATOM 876 CE1 PHE A 153 -4.407 -6.542 20.979 1.00 25.61 C ATOM 877 CE2 PHE A 153 -6.192 -5.145 21.692 1.00 26.63 C ATOM 878 CZ PHE A 153 -5.242 -6.089 21.977 1.00 26.36 C ATOM 879 H PHE A 153 -6.451 -3.917 15.620 1.00 0.00 H ATOM 880 N GLY A 154 -8.174 -6.068 17.599 1.00 20.01 N ATOM 881 CA GLY A 154 -9.263 -6.934 18.061 1.00 20.40 C ATOM 882 C GLY A 154 -9.434 -8.167 17.181 1.00 20.16 C ATOM 883 O GLY A 154 -9.566 -9.323 17.668 1.00 18.80 O ATOM 884 H GLY A 154 -8.383 -5.087 17.326 1.00 0.00 H ATOM 885 N GLY A 155 -9.341 -7.960 15.863 1.00 19.77 N ATOM 886 CA GLY A 155 -9.361 -9.090 14.902 1.00 20.64 C ATOM 887 C GLY A 155 -8.262 -10.107 15.129 1.00 23.05 C ATOM 888 O GLY A 155 -8.544 -11.332 15.239 1.00 21.88 O ATOM 889 H GLY A 155 -9.253 -6.988 15.505 1.00 0.00 H ATOM 890 N VAL A 156 -7.004 -9.626 15.196 1.00 21.97 N ATOM 891 CA VAL A 156 -5.864 -10.462 15.381 1.00 21.78 C ATOM 892 C VAL A 156 -5.993 -11.241 16.700 1.00 22.19 C ATOM 893 O VAL A 156 -5.614 -12.425 16.761 1.00 21.63 O ATOM 894 CB VAL A 156 -4.583 -9.616 15.302 1.00 24.35 C ATOM 895 CG1 VAL A 156 -3.364 -10.291 15.905 1.00 27.34 C ATOM 896 CG2 VAL A 156 -4.326 -9.241 13.854 1.00 23.13 C ATOM 897 H VAL A 156 -6.859 -8.600 15.109 1.00 0.00 H ATOM 898 N MET A 157 -6.529 -10.594 17.744 1.00 20.32 N ATOM 899 CA MET A 157 -6.699 -11.211 19.061 1.00 21.33 C ATOM 900 C MET A 157 -7.777 -12.311 19.001 1.00 21.08 C ATOM 901 O MET A 157 -7.645 -13.320 19.658 1.00 21.67 O ATOM 902 CB MET A 157 -7.063 -10.141 20.108 1.00 20.50 C ATOM 903 CG MET A 157 -7.077 -10.647 21.520 1.00 25.13 C ATOM 904 SD MET A 157 -7.366 -9.284 22.731 1.00 24.11 S ATOM 905 CE MET A 157 -7.401 -10.209 24.250 1.00 29.28 C ATOM 906 H MET A 157 -6.838 -9.610 17.613 1.00 0.00 H ATOM 907 N CYS A 158 -8.840 -12.126 18.206 1.00 19.68 N ATOM 908 CA CYS A 158 -9.867 -13.145 18.000 1.00 20.15 C ATOM 909 C CYS A 158 -9.303 -14.352 17.263 1.00 21.73 C ATOM 910 O CYS A 158 -9.596 -15.465 17.613 1.00 23.70 O ATOM 911 CB CYS A 158 -11.059 -12.582 17.242 1.00 19.82 C ATOM 912 SG CYS A 158 -12.000 -11.458 18.303 1.00 20.85 S ATOM 913 H CYS A 158 -8.938 -11.216 17.713 1.00 0.00 H ATOM 914 N VAL A 159 -8.425 -14.122 16.293 1.00 18.72 N ATOM 915 CA VAL A 159 -7.840 -15.244 15.513 1.00 19.24 C ATOM 916 C VAL A 159 -6.907 -16.046 16.426 1.00 18.78 C ATOM 917 O VAL A 159 -6.910 -17.270 16.441 1.00 20.08 O ATOM 918 CB VAL A 159 -7.113 -14.687 14.273 1.00 18.47 C ATOM 919 CG1 VAL A 159 -6.254 -15.764 13.622 1.00 20.71 C ATOM 920 CG2 VAL A 159 -8.121 -14.104 13.280 1.00 19.50 C ATOM 921 H VAL A 159 -8.143 -13.145 16.077 1.00 0.00 H ATOM 922 N GLU A 160 -6.164 -15.316 17.251 1.00 17.18 N ATOM 923 CA GLU A 160 -5.249 -15.920 18.159 1.00 17.51 C ATOM 924 C GLU A 160 -6.001 -16.735 19.229 1.00 19.09 C ATOM 925 O GLU A 160 -5.615 -17.854 19.538 1.00 19.09 O ATOM 926 CB GLU A 160 -4.360 -14.911 18.847 1.00 18.13 C ATOM 927 CG GLU A 160 -3.332 -15.629 19.722 1.00 18.62 C ATOM 928 CD GLU A 160 -2.305 -14.743 20.380 1.00 23.42 C ATOM 929 OE1 GLU A 160 -2.071 -13.603 19.890 1.00 25.88 O ATOM 930 OE2 GLU A 160 -1.754 -15.189 21.353 1.00 22.77 O ATOM 931 H GLU A 160 -6.253 -14.280 17.233 1.00 0.00 H ATOM 932 N SER A 161 -7.099 -16.192 19.736 1.00 19.29 N ATOM 933 CA SER A 161 -7.969 -16.905 20.692 1.00 21.40 C ATOM 934 C SER A 161 -8.382 -18.269 20.141 1.00 24.96 C ATOM 935 O SER A 161 -8.334 -19.269 20.874 1.00 24.51 O ATOM 936 CB SER A 161 -9.218 -16.118 21.024 1.00 21.91 C ATOM 937 OG SER A 161 -8.864 -14.913 21.667 1.00 22.81 O ATOM 938 HG SER A 161 -8.288 -14.377 21.067 1.00 0.00 H ATOM 939 H SER A 161 -7.357 -15.226 19.449 1.00 0.00 H ATOM 940 N VAL A 162 -8.861 -18.284 18.909 1.00 21.81 N ATOM 941 CA VAL A 162 -9.318 -19.499 18.310 1.00 24.02 C ATOM 942 C VAL A 162 -8.147 -20.459 18.170 1.00 24.33 C ATOM 943 O VAL A 162 -8.281 -21.660 18.468 1.00 21.24 O ATOM 944 CB VAL A 162 -9.978 -19.260 16.945 1.00 26.94 C ATOM 945 CG1 VAL A 162 -10.312 -20.565 16.248 1.00 33.71 C ATOM 946 CG2 VAL A 162 -11.219 -18.435 17.092 1.00 26.27 C ATOM 947 H VAL A 162 -8.906 -17.398 18.367 1.00 0.00 H ATOM 948 N ASN A 163 -7.029 -19.963 17.646 1.00 23.37 N ATOM 949 CA ASN A 163 -5.829 -20.783 17.467 1.00 23.07 C ATOM 950 C ASN A 163 -5.357 -21.406 18.787 1.00 23.86 C ATOM 951 O ASN A 163 -4.813 -22.477 18.734 1.00 21.24 O ATOM 952 CB ASN A 163 -4.670 -20.005 16.850 1.00 22.80 C ATOM 953 CG ASN A 163 -4.897 -19.655 15.401 1.00 24.37 C ATOM 954 OD1 ASN A 163 -5.769 -20.234 14.727 1.00 24.79 O ATOM 955 ND2 ASN A 163 -4.109 -18.713 14.905 1.00 24.48 N ATOM 956 HD22 ASN A 163 -3.395 -18.260 15.511 1.00 0.00 H ATOM 957 HD21 ASN A 163 -4.204 -18.427 13.910 1.00 0.00 H ATOM 958 H ASN A 163 -7.007 -18.965 17.355 1.00 0.00 H ATOM 959 N ARG A 164 -5.602 -20.763 19.944 1.00 22.19 N ATOM 960 CA ARG A 164 -5.069 -21.308 21.196 1.00 23.21 C ATOM 961 C ARG A 164 -6.124 -22.090 21.983 1.00 24.27 C ATOM 962 O ARG A 164 -5.937 -22.333 23.170 1.00 25.11 O ATOM 963 CB ARG A 164 -4.550 -20.199 22.099 1.00 22.79 C ATOM 964 CG ARG A 164 -3.341 -19.482 21.563 1.00 26.04 C ATOM 965 CD ARG A 164 -2.915 -18.528 22.631 1.00 30.49 C ATOM 966 NE ARG A 164 -1.782 -17.762 22.214 1.00 29.81 N ATOM 967 CZ ARG A 164 -0.580 -18.259 22.008 1.00 32.54 C ATOM 968 NH1 ARG A 164 -0.284 -19.491 22.409 1.00 30.31 N ATOM 969 NH2 ARG A 164 0.305 -17.518 21.360 1.00 31.86 N ATOM 970 HE ARG A 164 -1.916 -16.742 22.063 1.00 0.00 H ATOM 971 HH12 ARG A 164 0.667 -19.877 22.243 1.00 0.00 H ATOM 972 HH11 ARG A 164 -1.004 -20.069 22.889 1.00 0.00 H ATOM 973 HH22 ARG A 164 1.262 -17.886 21.184 1.00 0.00 H ATOM 974 HH21 ARG A 164 0.044 -16.568 21.027 1.00 0.00 H ATOM 975 H ARG A 164 -6.164 -19.888 19.950 1.00 0.00 H ATOM 976 N ALA A 165 -7.189 -22.484 21.303 1.00 26.06 N ATOM 977 CA ALA A 165 -8.307 -23.206 21.877 1.00 28.62 C ATOM 978 C ALA A 165 -8.899 -22.381 23.025 1.00 28.15 C ATOM 979 O ALA A 165 -9.277 -22.910 24.078 1.00 27.12 O ATOM 980 CB ALA A 165 -7.871 -24.594 22.308 1.00 30.67 C ATOM 981 H ALA A 165 -7.226 -22.260 20.288 1.00 0.00 H ATOM 982 N MET A 166 -9.002 -21.077 22.788 1.00 26.17 N ATOM 983 CA MET A 166 -9.613 -20.128 23.722 1.00 24.91 C ATOM 984 C MET A 166 -10.721 -19.373 22.993 1.00 26.98 C ATOM 985 O MET A 166 -10.852 -18.176 23.194 1.00 26.83 O ATOM 986 CB MET A 166 -8.608 -19.100 24.240 1.00 26.98 C ATOM 987 CG MET A 166 -7.504 -19.696 25.033 1.00 27.73 C ATOM 988 SD MET A 166 -6.234 -18.502 25.370 1.00 26.83 S ATOM 989 CE MET A 166 -5.035 -19.547 26.204 1.00 29.90 C ATOM 990 H MET A 166 -8.628 -20.710 21.890 1.00 0.00 H ATOM 991 N SER A 167 -11.521 -20.090 22.199 1.00 26.05 N ATOM 992 CA SER A 167 -12.542 -19.480 21.332 1.00 28.81 C ATOM 993 C SER A 167 -13.676 -18.782 22.114 1.00 31.49 C ATOM 994 O SER A 167 -14.295 -17.869 21.565 1.00 28.68 O ATOM 995 CB SER A 167 -13.091 -20.483 20.371 1.00 32.88 C ATOM 996 OG SER A 167 -13.979 -21.363 21.026 1.00 35.99 O ATOM 997 HG SER A 167 -13.497 -21.839 21.748 1.00 0.00 H ATOM 998 H SER A 167 -11.418 -21.125 22.193 1.00 0.00 H ATOM 999 N VAL A 168 -13.909 -19.153 23.382 1.00 29.56 N ATOM 1000 CA VAL A 168 -14.827 -18.404 24.265 1.00 33.80 C ATOM 1001 C VAL A 168 -14.463 -16.909 24.313 1.00 33.50 C ATOM 1002 O VAL A 168 -15.341 -16.075 24.510 1.00 33.05 O ATOM 1003 CB VAL A 168 -14.861 -18.990 25.690 1.00 38.38 C ATOM 1004 CG1 VAL A 168 -15.304 -20.447 25.696 1.00 44.33 C ATOM 1005 CG2 VAL A 168 -13.546 -18.807 26.430 1.00 36.66 C ATOM 1006 H VAL A 168 -13.428 -19.996 23.756 1.00 0.00 H ATOM 1007 N LEU A 169 -13.174 -16.553 24.153 1.00 26.51 N ATOM 1008 CA LEU A 169 -12.762 -15.135 24.202 1.00 26.36 C ATOM 1009 C LEU A 169 -13.335 -14.313 23.040 1.00 27.36 C ATOM 1010 O LEU A 169 -13.440 -13.095 23.198 1.00 27.58 O ATOM 1011 CB LEU A 169 -11.232 -15.008 24.194 1.00 26.79 C ATOM 1012 CG LEU A 169 -10.574 -15.462 25.491 1.00 27.74 C ATOM 1013 CD1 LEU A 169 -9.067 -15.267 25.453 1.00 26.20 C ATOM 1014 CD2 LEU A 169 -11.207 -14.745 26.693 1.00 30.35 C ATOM 1015 H LEU A 169 -12.457 -17.289 23.992 1.00 0.00 H ATOM 1016 N VAL A 170 -13.661 -14.924 21.891 1.00 24.18 N ATOM 1017 CA VAL A 170 -14.096 -14.128 20.718 1.00 24.84 C ATOM 1018 C VAL A 170 -15.287 -13.234 21.095 1.00 25.83 C ATOM 1019 O VAL A 170 -15.325 -12.039 20.768 1.00 23.69 O ATOM 1020 CB VAL A 170 -14.405 -15.022 19.518 1.00 25.96 C ATOM 1021 CG1 VAL A 170 -14.933 -14.231 18.334 1.00 28.18 C ATOM 1022 CG2 VAL A 170 -13.181 -15.834 19.146 1.00 24.26 C ATOM 1023 H VAL A 170 -13.608 -15.960 21.823 1.00 0.00 H ATOM 1024 N ASP A 171 -16.261 -13.802 21.799 1.00 25.28 N ATOM 1025 CA ASP A 171 -17.472 -13.053 22.133 1.00 27.63 C ATOM 1026 C ASP A 171 -17.150 -11.916 23.095 1.00 23.57 C ATOM 1027 O ASP A 171 -17.698 -10.862 22.950 1.00 25.55 O ATOM 1028 CB ASP A 171 -18.525 -13.936 22.802 1.00 30.81 C ATOM 1029 CG ASP A 171 -19.210 -14.903 21.844 1.00 34.84 C ATOM 1030 OD1 ASP A 171 -19.307 -14.605 20.653 1.00 34.08 O ATOM 1031 OD2 ASP A 171 -19.655 -15.941 22.316 1.00 44.95 O ATOM 1032 H ASP A 171 -16.161 -14.788 22.115 1.00 0.00 H ATOM 1033 N ASN A 172 -16.226 -12.151 24.028 1.00 22.75 N ATOM 1034 CA ASN A 172 -15.805 -11.171 25.005 1.00 22.78 C ATOM 1035 C ASN A 172 -15.070 -10.033 24.307 1.00 22.31 C ATOM 1036 O ASN A 172 -15.362 -8.891 24.581 1.00 21.15 O ATOM 1037 CB ASN A 172 -14.982 -11.819 26.117 1.00 25.71 C ATOM 1038 CG ASN A 172 -15.860 -12.607 27.073 1.00 29.32 C ATOM 1039 OD1 ASN A 172 -17.034 -12.809 26.812 1.00 35.40 O ATOM 1040 ND2 ASN A 172 -15.309 -13.059 28.169 1.00 31.58 N ATOM 1041 HD22 ASN A 172 -14.305 -12.870 28.363 1.00 0.00 H ATOM 1042 HD21 ASN A 172 -15.875 -13.608 28.847 1.00 0.00 H ATOM 1043 H ASN A 172 -15.783 -13.092 24.054 1.00 0.00 H ATOM 1044 N ILE A 173 -14.089 -10.365 23.447 1.00 20.84 N ATOM 1045 CA ILE A 173 -13.341 -9.344 22.720 1.00 19.39 C ATOM 1046 C ILE A 173 -14.291 -8.488 21.901 1.00 19.15 C ATOM 1047 O ILE A 173 -14.165 -7.277 21.910 1.00 23.00 O ATOM 1048 CB ILE A 173 -12.211 -9.952 21.860 1.00 21.10 C ATOM 1049 CG1 ILE A 173 -11.138 -10.601 22.734 1.00 20.29 C ATOM 1050 CG2 ILE A 173 -11.582 -8.877 20.968 1.00 20.72 C ATOM 1051 CD1 ILE A 173 -10.374 -11.713 22.067 1.00 20.72 C ATOM 1052 H ILE A 173 -13.860 -11.368 23.298 1.00 0.00 H ATOM 1053 N ALA A 174 -15.217 -9.090 21.153 1.00 19.06 N ATOM 1054 CA ALA A 174 -16.162 -8.298 20.402 1.00 21.15 C ATOM 1055 C ALA A 174 -16.959 -7.337 21.309 1.00 24.25 C ATOM 1056 O ALA A 174 -17.211 -6.183 20.904 1.00 24.25 O ATOM 1057 CB ALA A 174 -17.080 -9.169 19.593 1.00 21.20 C ATOM 1058 H ALA A 174 -15.258 -10.128 21.111 1.00 0.00 H ATOM 1059 N ALA A 175 -17.395 -7.800 22.483 1.00 24.96 N ATOM 1060 CA ALA A 175 -18.111 -6.936 23.444 1.00 25.27 C ATOM 1061 C ALA A 175 -17.208 -5.783 23.931 1.00 23.60 C ATOM 1062 O ALA A 175 -17.633 -4.636 24.013 1.00 24.39 O ATOM 1063 CB ALA A 175 -18.619 -7.778 24.608 1.00 26.95 C ATOM 1064 H ALA A 175 -17.226 -8.797 22.728 1.00 0.00 H ATOM 1065 N TRP A 176 -15.970 -6.092 24.305 1.00 23.04 N ATOM 1066 CA TRP A 176 -15.058 -5.051 24.790 1.00 22.14 C ATOM 1067 C TRP A 176 -14.793 -4.029 23.684 1.00 23.44 C ATOM 1068 O TRP A 176 -14.604 -2.857 24.023 1.00 22.94 O ATOM 1069 CB TRP A 176 -13.747 -5.631 25.294 1.00 21.98 C ATOM 1070 CG TRP A 176 -13.921 -6.626 26.395 1.00 24.51 C ATOM 1071 CD1 TRP A 176 -14.894 -6.635 27.359 1.00 25.32 C ATOM 1072 CD2 TRP A 176 -13.092 -7.766 26.644 1.00 24.15 C ATOM 1073 NE1 TRP A 176 -14.723 -7.710 28.191 1.00 24.56 N ATOM 1074 CE2 TRP A 176 -13.642 -8.430 27.766 1.00 25.01 C ATOM 1075 CE3 TRP A 176 -11.950 -8.304 26.036 1.00 24.50 C ATOM 1076 CZ2 TRP A 176 -13.062 -9.581 28.298 1.00 25.35 C ATOM 1077 CZ3 TRP A 176 -11.401 -9.465 26.552 1.00 25.85 C ATOM 1078 CH2 TRP A 176 -11.969 -10.108 27.653 1.00 24.10 C ATOM 1079 HE1 TRP A 176 -15.319 -7.940 29.012 1.00 0.00 H ATOM 1080 H TRP A 176 -15.646 -7.079 24.253 1.00 0.00 H ATOM 1081 N MET A 177 -14.718 -4.488 22.418 1.00 22.35 N ATOM 1082 CA MET A 177 -14.496 -3.565 21.297 1.00 24.70 C ATOM 1083 C MET A 177 -15.729 -2.656 21.151 1.00 26.02 C ATOM 1084 O MET A 177 -15.586 -1.431 21.099 1.00 24.38 O ATOM 1085 CB MET A 177 -14.230 -4.304 19.985 1.00 24.03 C ATOM 1086 CG MET A 177 -12.896 -5.021 19.948 1.00 23.71 C ATOM 1087 SD MET A 177 -12.796 -6.022 18.432 1.00 23.39 S ATOM 1088 CE MET A 177 -12.556 -4.738 17.206 1.00 25.04 C ATOM 1089 H MET A 177 -14.818 -5.507 22.233 1.00 0.00 H ATOM 1090 N ALA A 178 -16.935 -3.238 21.185 1.00 25.83 N ATOM 1091 CA ALA A 178 -18.176 -2.463 20.962 1.00 28.80 C ATOM 1092 C ALA A 178 -18.374 -1.452 22.093 1.00 26.34 C ATOM 1093 O ALA A 178 -18.722 -0.332 21.812 1.00 25.13 O ATOM 1094 CB ALA A 178 -19.375 -3.364 20.809 1.00 28.97 C ATOM 1095 H ALA A 178 -17.001 -4.259 21.373 1.00 0.00 H ATOM 1096 N THR A 179 -18.024 -1.838 23.320 1.00 27.64 N ATOM 1097 CA THR A 179 -18.126 -0.996 24.511 1.00 31.91 C ATOM 1098 C THR A 179 -17.151 0.176 24.380 1.00 30.66 C ATOM 1099 O THR A 179 -17.538 1.311 24.620 1.00 30.12 O ATOM 1100 CB THR A 179 -17.906 -1.778 25.828 1.00 31.19 C ATOM 1101 OG1 THR A 179 -18.959 -2.735 25.962 1.00 29.94 O ATOM 1102 CG2 THR A 179 -17.872 -0.908 27.070 1.00 28.79 C ATOM 1103 HG1 THR A 179 -18.940 -3.355 25.191 1.00 0.00 H ATOM 1104 H THR A 179 -17.654 -2.803 23.438 1.00 0.00 H ATOM 1105 N TYR A 180 -15.893 -0.096 24.010 1.00 26.57 N ATOM 1106 CA TYR A 180 -14.909 0.986 23.866 1.00 26.41 C ATOM 1107 C TYR A 180 -15.318 1.976 22.752 1.00 26.65 C ATOM 1108 O TYR A 180 -15.190 3.190 22.907 1.00 27.28 O ATOM 1109 CB TYR A 180 -13.513 0.446 23.566 1.00 24.33 C ATOM 1110 CG TYR A 180 -12.454 1.487 23.744 1.00 24.44 C ATOM 1111 CD1 TYR A 180 -11.886 1.736 24.988 1.00 26.09 C ATOM 1112 CD2 TYR A 180 -12.059 2.284 22.678 1.00 24.44 C ATOM 1113 CE1 TYR A 180 -10.935 2.727 25.144 1.00 27.24 C ATOM 1114 CE2 TYR A 180 -11.141 3.295 22.833 1.00 25.04 C ATOM 1115 CZ TYR A 180 -10.578 3.512 24.067 1.00 26.88 C ATOM 1116 OH TYR A 180 -9.648 4.489 24.158 1.00 30.46 O ATOM 1117 HH TYR A 180 -9.321 4.546 25.091 1.00 0.00 H ATOM 1118 H TYR A 180 -15.611 -1.079 23.823 1.00 0.00 H ATOM 1119 N LEU A 181 -15.831 1.461 21.640 1.00 23.35 N ATOM 1120 CA LEU A 181 -16.381 2.289 20.628 1.00 24.92 C ATOM 1121 C LEU A 181 -17.477 3.186 21.231 1.00 30.24 C ATOM 1122 O LEU A 181 -17.502 4.410 20.978 1.00 31.86 O ATOM 1123 CB LEU A 181 -16.948 1.412 19.517 1.00 25.88 C ATOM 1124 CG LEU A 181 -15.944 1.007 18.441 1.00 30.14 C ATOM 1125 CD1 LEU A 181 -16.452 -0.210 17.703 1.00 31.72 C ATOM 1126 CD2 LEU A 181 -15.664 2.150 17.466 1.00 30.46 C ATOM 1127 H LEU A 181 -15.829 0.429 21.509 1.00 0.00 H ATOM 1128 N ASN A 182 -18.376 2.578 22.020 1.00 30.65 N ATOM 1129 CA ASN A 182 -19.557 3.275 22.507 1.00 35.18 C ATOM 1130 C ASN A 182 -19.157 4.343 23.516 1.00 32.13 C ATOM 1131 O ASN A 182 -19.652 5.472 23.439 1.00 34.00 O ATOM 1132 CB ASN A 182 -20.582 2.332 23.135 1.00 37.69 C ATOM 1133 CG ASN A 182 -21.291 1.464 22.119 1.00 38.19 C ATOM 1134 OD1 ASN A 182 -21.460 1.850 20.968 1.00 47.62 O ATOM 1135 ND2 ASN A 182 -21.702 0.279 22.532 1.00 44.37 N ATOM 1136 HD22 ASN A 182 -21.540 -0.013 23.517 1.00 0.00 H ATOM 1137 HD21 ASN A 182 -22.187 -0.362 21.872 1.00 0.00 H ATOM 1138 H ASN A 182 -18.225 1.585 22.290 1.00 0.00 H ATOM 1139 N ASP A 183 -18.269 3.980 24.443 1.00 34.66 N ATOM 1140 CA ASP A 183 -17.958 4.810 25.573 1.00 33.56 C ATOM 1141 C ASP A 183 -16.819 5.783 25.269 1.00 34.33 C ATOM 1142 O ASP A 183 -16.729 6.767 25.978 1.00 30.03 O ATOM 1143 CB ASP A 183 -17.615 3.975 26.801 1.00 37.92 C ATOM 1144 CG ASP A 183 -18.783 3.123 27.263 1.00 42.04 C ATOM 1145 OD1 ASP A 183 -19.909 3.320 26.723 1.00 41.03 O ATOM 1146 OD2 ASP A 183 -18.549 2.250 28.119 1.00 40.05 O ATOM 1147 H ASP A 183 -17.785 3.065 24.344 1.00 0.00 H ATOM 1148 N HIS A 184 -15.951 5.515 24.271 1.00 30.46 N ATOM 1149 CA HIS A 184 -14.731 6.291 24.143 1.00 31.75 C ATOM 1150 C HIS A 184 -14.418 6.759 22.707 1.00 31.02 C ATOM 1151 O HIS A 184 -13.593 7.666 22.559 1.00 36.23 O ATOM 1152 CB HIS A 184 -13.568 5.520 24.764 1.00 34.38 C ATOM 1153 CG HIS A 184 -13.721 5.325 26.227 1.00 39.38 C ATOM 1154 ND1 HIS A 184 -13.654 6.376 27.130 1.00 41.09 N ATOM 1155 CD2 HIS A 184 -13.991 4.217 26.951 1.00 42.72 C ATOM 1156 CE1 HIS A 184 -13.859 5.915 28.351 1.00 43.26 C ATOM 1157 NE2 HIS A 184 -14.069 4.596 28.267 1.00 42.93 N ATOM 1158 H HIS A 184 -16.156 4.753 23.594 1.00 0.00 H ATOM 1159 N LEU A 185 -15.036 6.206 21.663 1.00 28.36 N ATOM 1160 CA LEU A 185 -14.722 6.682 20.320 1.00 29.51 C ATOM 1161 C LEU A 185 -15.930 7.361 19.671 1.00 34.19 C ATOM 1162 O LEU A 185 -15.771 8.041 18.641 1.00 32.61 O ATOM 1163 CB LEU A 185 -14.214 5.524 19.455 1.00 28.22 C ATOM 1164 CG LEU A 185 -12.890 4.914 19.909 1.00 29.39 C ATOM 1165 CD1 LEU A 185 -12.604 3.607 19.171 1.00 28.74 C ATOM 1166 CD2 LEU A 185 -11.744 5.892 19.675 1.00 31.83 C ATOM 1167 H LEU A 185 -15.732 5.446 21.804 1.00 0.00 H ATOM 1168 N HIS A 186 -17.120 7.159 20.240 1.00 37.53 N ATOM 1169 CA HIS A 186 -18.378 7.550 19.607 1.00 39.91 C ATOM 1170 C HIS A 186 -18.420 9.072 19.405 1.00 37.43 C ATOM 1171 O HIS A 186 -18.766 9.548 18.322 1.00 40.64 O ATOM 1172 CB HIS A 186 -19.591 7.079 20.427 1.00 45.34 C ATOM 1173 CG HIS A 186 -20.885 7.587 19.883 1.00 54.77 C ATOM 1174 ND1 HIS A 186 -21.471 8.764 20.341 1.00 64.91 N ATOM 1175 CD2 HIS A 186 -21.670 7.140 18.879 1.00 61.43 C ATOM 1176 CE1 HIS A 186 -22.567 9.008 19.657 1.00 60.99 C ATOM 1177 NE2 HIS A 186 -22.719 8.021 18.760 1.00 61.35 N ATOM 1178 H HIS A 186 -17.154 6.704 21.174 1.00 0.00 H ATOM 1179 N THR A 187 -18.083 9.806 20.454 1.00 36.84 N ATOM 1180 CA THR A 187 -18.114 11.265 20.430 1.00 41.08 C ATOM 1181 C THR A 187 -17.165 11.775 19.332 1.00 38.59 C ATOM 1182 O THR A 187 -17.569 12.604 18.472 1.00 35.97 O ATOM 1183 CB THR A 187 -17.773 11.829 21.817 1.00 45.28 C ATOM 1184 OG1 THR A 187 -18.833 11.489 22.716 1.00 45.22 O ATOM 1185 CG2 THR A 187 -17.607 13.335 21.827 1.00 50.17 C ATOM 1186 HG1 THR A 187 -18.921 10.504 22.763 1.00 0.00 H ATOM 1187 H THR A 187 -17.785 9.325 21.327 1.00 0.00 H ATOM 1188 N TRP A 188 -15.920 11.266 19.367 1.00 32.03 N ATOM 1189 CA TRP A 188 -14.898 11.623 18.406 1.00 29.07 C ATOM 1190 C TRP A 188 -15.417 11.369 16.985 1.00 31.15 C ATOM 1191 O TRP A 188 -15.378 12.260 16.135 1.00 30.32 O ATOM 1192 CB TRP A 188 -13.564 10.919 18.682 1.00 27.82 C ATOM 1193 CG TRP A 188 -12.482 11.439 17.791 1.00 25.81 C ATOM 1194 CD1 TRP A 188 -11.609 12.458 18.052 1.00 29.26 C ATOM 1195 CD2 TRP A 188 -12.205 11.007 16.447 1.00 26.18 C ATOM 1196 NE1 TRP A 188 -10.800 12.684 16.969 1.00 26.06 N ATOM 1197 CE2 TRP A 188 -11.161 11.821 15.965 1.00 25.83 C ATOM 1198 CE3 TRP A 188 -12.766 10.037 15.604 1.00 25.98 C ATOM 1199 CZ2 TRP A 188 -10.657 11.673 14.674 1.00 24.64 C ATOM 1200 CZ3 TRP A 188 -12.245 9.868 14.343 1.00 24.27 C ATOM 1201 CH2 TRP A 188 -11.207 10.681 13.892 1.00 21.95 C ATOM 1202 HE1 TRP A 188 -10.039 13.391 16.917 1.00 0.00 H ATOM 1203 H TRP A 188 -15.682 10.586 20.117 1.00 0.00 H ATOM 1204 N ILE A 189 -15.945 10.167 16.735 1.00 31.03 N ATOM 1205 CA ILE A 189 -16.325 9.797 15.395 1.00 30.71 C ATOM 1206 C ILE A 189 -17.327 10.829 14.882 1.00 35.82 C ATOM 1207 O ILE A 189 -17.194 11.354 13.767 1.00 32.93 O ATOM 1208 CB ILE A 189 -16.838 8.346 15.335 1.00 30.54 C ATOM 1209 CG1 ILE A 189 -15.657 7.370 15.407 1.00 33.11 C ATOM 1210 CG2 ILE A 189 -17.662 8.134 14.089 1.00 32.65 C ATOM 1211 CD1 ILE A 189 -16.042 5.895 15.537 1.00 33.39 C ATOM 1212 H ILE A 189 -16.083 9.493 17.515 1.00 0.00 H ATOM 1213 N GLN A 190 -18.271 11.181 15.754 1.00 37.96 N ATOM 1214 CA GLN A 190 -19.338 12.066 15.357 1.00 41.47 C ATOM 1215 C GLN A 190 -18.805 13.486 15.173 1.00 36.73 C ATOM 1216 O GLN A 190 -19.108 14.114 14.221 1.00 40.00 O ATOM 1217 CB GLN A 190 -20.504 11.985 16.337 1.00 44.35 C ATOM 1218 CG GLN A 190 -21.229 10.636 16.305 1.00 53.06 C ATOM 1219 CD GLN A 190 -21.593 10.048 14.950 1.00 56.31 C ATOM 1220 OE1 GLN A 190 -22.038 10.733 14.030 1.00 67.36 O ATOM 1221 NE2 GLN A 190 -21.451 8.735 14.822 1.00 60.31 N ATOM 1222 HE22 GLN A 190 -21.073 8.173 15.611 1.00 0.00 H ATOM 1223 HE21 GLN A 190 -21.718 8.267 13.932 1.00 0.00 H ATOM 1224 H GLN A 190 -18.238 10.815 16.727 1.00 0.00 H ATOM 1225 N ASP A 191 -17.915 13.928 16.036 1.00 34.06 N ATOM 1226 CA ASP A 191 -17.381 15.227 15.896 1.00 35.89 C ATOM 1227 C ASP A 191 -16.556 15.341 14.611 1.00 34.30 C ATOM 1228 O ASP A 191 -16.302 16.426 14.180 1.00 37.68 O ATOM 1229 CB ASP A 191 -16.522 15.588 17.102 1.00 33.88 C ATOM 1230 CG ASP A 191 -17.315 15.920 18.360 1.00 41.80 C ATOM 1231 OD1 ASP A 191 -18.529 16.116 18.252 1.00 42.65 O ATOM 1232 OD2 ASP A 191 -16.701 16.001 19.432 1.00 40.82 O ATOM 1233 H ASP A 191 -17.605 13.320 16.821 1.00 0.00 H ATOM 1234 N ASN A 192 -16.119 14.217 14.037 1.00 33.18 N ATOM 1235 CA ASN A 192 -15.121 14.239 12.984 1.00 30.12 C ATOM 1236 C ASN A 192 -15.732 13.751 11.672 1.00 34.81 C ATOM 1237 O ASN A 192 -14.984 13.386 10.731 1.00 35.84 O ATOM 1238 CB ASN A 192 -13.878 13.436 13.385 1.00 31.64 C ATOM 1239 CG ASN A 192 -12.981 14.195 14.332 1.00 32.61 C ATOM 1240 OD1 ASN A 192 -12.035 14.820 13.883 1.00 41.86 O ATOM 1241 ND2 ASN A 192 -13.257 14.159 15.628 1.00 29.04 N ATOM 1242 HD22 ASN A 192 -14.074 13.614 15.971 1.00 0.00 H ATOM 1243 HD21 ASN A 192 -12.657 14.676 16.302 1.00 0.00 H ATOM 1244 H ASN A 192 -16.503 13.304 14.353 1.00 0.00 H ATOM 1245 N GLY A 193 -17.072 13.784 11.601 1.00 30.09 N ATOM 1246 CA GLY A 193 -17.819 13.610 10.369 1.00 33.20 C ATOM 1247 C GLY A 193 -18.352 12.210 10.172 1.00 33.90 C ATOM 1248 O GLY A 193 -18.838 11.904 9.086 1.00 39.07 O ATOM 1249 H GLY A 193 -17.606 13.943 12.479 1.00 0.00 H ATOM 1250 N GLY A 194 -18.218 11.349 11.191 1.00 34.03 N ATOM 1251 CA GLY A 194 -18.744 9.992 11.137 1.00 33.52 C ATOM 1252 C GLY A 194 -17.983 9.102 10.162 1.00 30.98 C ATOM 1253 O GLY A 194 -16.942 9.514 9.571 1.00 26.06 O ATOM 1254 H GLY A 194 -17.721 11.661 12.050 1.00 0.00 H ATOM 1255 N TRP A 195 -18.503 7.886 9.959 1.00 29.81 N ATOM 1256 CA TRP A 195 -17.801 6.878 9.137 1.00 31.42 C ATOM 1257 C TRP A 195 -17.622 7.350 7.684 1.00 31.23 C ATOM 1258 O TRP A 195 -16.672 6.966 6.990 1.00 29.36 O ATOM 1259 CB TRP A 195 -18.468 5.515 9.292 1.00 31.44 C ATOM 1260 CG TRP A 195 -18.086 4.860 10.585 1.00 31.59 C ATOM 1261 CD1 TRP A 195 -18.792 4.848 11.753 1.00 35.30 C ATOM 1262 CD2 TRP A 195 -16.863 4.159 10.859 1.00 32.90 C ATOM 1263 NE1 TRP A 195 -18.094 4.191 12.735 1.00 35.86 N ATOM 1264 CE2 TRP A 195 -16.916 3.736 12.203 1.00 34.22 C ATOM 1265 CE3 TRP A 195 -15.746 3.811 10.084 1.00 32.93 C ATOM 1266 CZ2 TRP A 195 -15.884 3.011 12.794 1.00 33.86 C ATOM 1267 CZ3 TRP A 195 -14.730 3.085 10.666 1.00 32.41 C ATOM 1268 CH2 TRP A 195 -14.807 2.681 11.996 1.00 33.61 C ATOM 1269 HE1 TRP A 195 -18.407 4.060 13.718 1.00 0.00 H ATOM 1270 H TRP A 195 -19.419 7.645 10.388 1.00 0.00 H ATOM 1271 N ASP A 196 -18.487 8.248 7.217 1.00 35.46 N ATOM 1272 CA ASP A 196 -18.332 8.774 5.862 1.00 37.32 C ATOM 1273 C ASP A 196 -16.988 9.510 5.746 1.00 29.04 C ATOM 1274 O ASP A 196 -16.347 9.494 4.688 1.00 28.82 O ATOM 1275 CB ASP A 196 -19.558 9.607 5.469 1.00 37.34 C ATOM 1276 CG ASP A 196 -20.795 8.759 5.201 1.00 40.81 C ATOM 1277 OD1 ASP A 196 -20.657 7.521 5.008 1.00 43.07 O ATOM 1278 OD2 ASP A 196 -21.901 9.331 5.192 1.00 49.13 O ATOM 1279 H ASP A 196 -19.272 8.575 7.816 1.00 0.00 H ATOM 1280 N ALA A 197 -16.574 10.187 6.822 1.00 28.30 N ATOM 1281 CA ALA A 197 -15.319 10.922 6.790 1.00 28.90 C ATOM 1282 C ALA A 197 -14.137 9.946 6.666 1.00 27.42 C ATOM 1283 O ALA A 197 -13.111 10.276 6.024 1.00 25.79 O ATOM 1284 CB ALA A 197 -15.190 11.775 8.026 1.00 27.83 C ATOM 1285 H ALA A 197 -17.152 10.188 7.686 1.00 0.00 H ATOM 1286 N PHE A 198 -14.270 8.777 7.304 1.00 27.22 N ATOM 1287 CA PHE A 198 -13.269 7.689 7.231 1.00 25.87 C ATOM 1288 C PHE A 198 -13.075 7.256 5.778 1.00 25.47 C ATOM 1289 O PHE A 198 -11.948 7.133 5.315 1.00 23.95 O ATOM 1290 CB PHE A 198 -13.693 6.485 8.071 1.00 26.82 C ATOM 1291 CG PHE A 198 -12.882 5.250 7.782 1.00 26.30 C ATOM 1292 CD1 PHE A 198 -11.538 5.178 8.110 1.00 27.38 C ATOM 1293 CD2 PHE A 198 -13.463 4.165 7.149 1.00 25.14 C ATOM 1294 CE1 PHE A 198 -10.794 4.052 7.804 1.00 25.91 C ATOM 1295 CE2 PHE A 198 -12.718 3.043 6.857 1.00 25.07 C ATOM 1296 CZ PHE A 198 -11.388 2.985 7.204 1.00 24.97 C ATOM 1297 H PHE A 198 -15.121 8.625 7.881 1.00 0.00 H ATOM 1298 N VAL A 199 -14.196 7.079 5.065 1.00 25.88 N ATOM 1299 CA VAL A 199 -14.161 6.631 3.704 1.00 25.12 C ATOM 1300 C VAL A 199 -13.460 7.702 2.864 1.00 23.06 C ATOM 1301 O VAL A 199 -12.557 7.392 2.053 1.00 22.00 O ATOM 1302 CB VAL A 199 -15.569 6.260 3.187 1.00 25.58 C ATOM 1303 CG1 VAL A 199 -15.590 6.038 1.688 1.00 27.15 C ATOM 1304 CG2 VAL A 199 -16.105 5.009 3.874 1.00 28.43 C ATOM 1305 H VAL A 199 -15.115 7.272 5.511 1.00 0.00 H ATOM 1306 N GLU A 200 -13.816 8.967 3.081 1.00 24.49 N ATOM 1307 CA GLU A 200 -13.214 10.090 2.358 1.00 24.53 C ATOM 1308 C GLU A 200 -11.705 10.118 2.608 1.00 22.63 C ATOM 1309 O GLU A 200 -10.903 10.241 1.702 1.00 22.76 O ATOM 1310 CB GLU A 200 -13.815 11.419 2.813 1.00 22.49 C ATOM 1311 CG GLU A 200 -13.161 12.643 2.208 1.00 23.87 C ATOM 1312 CD GLU A 200 -13.675 13.979 2.711 1.00 26.58 C ATOM 1313 OE1 GLU A 200 -14.607 13.972 3.539 1.00 25.92 O ATOM 1314 OE2 GLU A 200 -13.207 15.028 2.183 1.00 27.40 O ATOM 1315 H GLU A 200 -14.550 9.165 3.791 1.00 0.00 H ATOM 1316 N LEU A 201 -11.319 9.973 3.877 1.00 25.26 N ATOM 1317 CA LEU A 201 -9.903 9.968 4.195 1.00 26.09 C ATOM 1318 C LEU A 201 -9.196 8.844 3.431 1.00 25.48 C ATOM 1319 O LEU A 201 -8.145 9.042 2.822 1.00 22.81 O ATOM 1320 CB LEU A 201 -9.722 9.823 5.704 1.00 26.36 C ATOM 1321 CG LEU A 201 -8.260 9.618 6.101 1.00 29.13 C ATOM 1322 CD1 LEU A 201 -7.415 10.788 5.635 1.00 29.09 C ATOM 1323 CD2 LEU A 201 -8.143 9.414 7.594 1.00 26.53 C ATOM 1324 H LEU A 201 -12.027 9.865 4.631 1.00 0.00 H ATOM 1325 N TYR A 202 -9.753 7.636 3.508 1.00 24.13 N ATOM 1326 CA TYR A 202 -9.158 6.507 2.845 1.00 25.64 C ATOM 1327 C TYR A 202 -8.956 6.781 1.351 1.00 22.86 C ATOM 1328 O TYR A 202 -7.884 6.524 0.818 1.00 22.77 O ATOM 1329 CB TYR A 202 -9.975 5.250 3.095 1.00 24.73 C ATOM 1330 CG TYR A 202 -9.393 4.023 2.455 1.00 26.36 C ATOM 1331 CD1 TYR A 202 -9.715 3.705 1.152 1.00 28.26 C ATOM 1332 CD2 TYR A 202 -8.509 3.202 3.131 1.00 30.06 C ATOM 1333 CE1 TYR A 202 -9.214 2.568 0.546 1.00 30.57 C ATOM 1334 CE2 TYR A 202 -7.987 2.071 2.529 1.00 32.89 C ATOM 1335 CZ TYR A 202 -8.334 1.756 1.235 1.00 32.32 C ATOM 1336 OH TYR A 202 -7.845 0.648 0.607 1.00 35.27 O ATOM 1337 HH TYR A 202 -6.857 0.702 0.566 1.00 0.00 H ATOM 1338 H TYR A 202 -10.629 7.508 4.054 1.00 0.00 H ATOM 1339 N GLY A 203 -9.978 7.326 0.683 1.00 24.83 N ATOM 1340 CA GLY A 203 -9.881 7.725 -0.698 1.00 25.55 C ATOM 1341 C GLY A 203 -8.723 8.673 -0.979 1.00 23.88 C ATOM 1342 O GLY A 203 -7.930 8.449 -1.884 1.00 22.52 O ATOM 1343 H GLY A 203 -10.880 7.468 1.181 1.00 0.00 H ATOM 1344 N ASN A 204 -8.592 9.719 -0.169 1.00 24.70 N ATOM 1345 CA ASN A 204 -7.521 10.703 -0.356 1.00 24.16 C ATOM 1346 C ASN A 204 -6.175 10.013 -0.227 1.00 24.31 C ATOM 1347 O ASN A 204 -5.272 10.241 -1.058 1.00 23.18 O ATOM 1348 CB ASN A 204 -7.628 11.862 0.639 1.00 29.31 C ATOM 1349 CG ASN A 204 -8.725 12.833 0.272 1.00 32.11 C ATOM 1350 OD1 ASN A 204 -9.006 13.000 -0.907 1.00 41.42 O ATOM 1351 ND2 ASN A 204 -9.374 13.433 1.257 1.00 32.08 N ATOM 1352 HD22 ASN A 204 -9.097 13.259 2.244 1.00 0.00 H ATOM 1353 HD21 ASN A 204 -10.161 14.079 1.044 1.00 0.00 H ATOM 1354 H ASN A 204 -9.264 9.842 0.615 1.00 0.00 H ATOM 1355 N ASN A 205 -6.039 9.183 0.817 1.00 24.43 N ATOM 1356 CA ASN A 205 -4.757 8.498 1.049 1.00 27.11 C ATOM 1357 C ASN A 205 -4.457 7.527 -0.102 1.00 28.66 C ATOM 1358 O ASN A 205 -3.313 7.489 -0.567 1.00 26.03 O ATOM 1359 CB ASN A 205 -4.715 7.787 2.399 1.00 27.58 C ATOM 1360 CG ASN A 205 -4.703 8.753 3.571 1.00 30.21 C ATOM 1361 OD1 ASN A 205 -4.500 9.963 3.392 1.00 34.87 O ATOM 1362 ND2 ASN A 205 -4.939 8.222 4.762 1.00 31.67 N ATOM 1363 HD22 ASN A 205 -5.103 7.199 4.852 1.00 0.00 H ATOM 1364 HD21 ASN A 205 -4.961 8.828 5.607 1.00 0.00 H ATOM 1365 H ASN A 205 -6.839 9.023 1.462 1.00 0.00 H ATOM 1366 N ALA A 206 -5.491 6.844 -0.625 1.00 25.91 N ATOM 1367 CA ALA A 206 -5.272 5.887 -1.725 1.00 28.53 C ATOM 1368 C ALA A 206 -4.744 6.618 -2.975 1.00 28.69 C ATOM 1369 O ALA A 206 -3.862 6.117 -3.683 1.00 31.03 O ATOM 1370 CB ALA A 206 -6.537 5.110 -1.998 1.00 28.08 C ATOM 1371 H ALA A 206 -6.450 6.992 -0.251 1.00 0.00 H ATOM 1372 N ALA A 207 -5.312 7.794 -3.266 1.00 31.04 N ATOM 1373 CA ALA A 207 -4.914 8.605 -4.399 1.00 29.57 C ATOM 1374 C ALA A 207 -3.466 9.086 -4.242 1.00 34.68 C ATOM 1375 O ALA A 207 -2.724 9.057 -5.186 1.00 36.19 O ATOM 1376 CB ALA A 207 -5.859 9.756 -4.516 1.00 30.61 C ATOM 1377 H ALA A 207 -6.075 8.142 -2.650 1.00 0.00 H ATOM 1378 N ALA A 208 -3.086 9.471 -3.020 1.00 35.66 N ATOM 1379 CA ALA A 208 -1.702 9.863 -2.683 1.00 38.76 C ATOM 1380 C ALA A 208 -0.750 8.671 -2.853 1.00 39.48 C ATOM 1381 O ALA A 208 0.260 8.793 -3.542 1.00 39.91 O ATOM 1382 CB ALA A 208 -1.651 10.430 -1.279 1.00 39.16 C ATOM 1383 H ALA A 208 -3.802 9.496 -2.266 1.00 0.00 H ATOM 1384 N GLU A 209 -1.091 7.519 -2.261 1.00 36.74 N ATOM 1385 CA GLU A 209 -0.227 6.325 -2.335 1.00 47.58 C ATOM 1386 C GLU A 209 -0.073 5.852 -3.799 1.00 49.74 C ATOM 1387 O GLU A 209 0.859 5.142 -4.120 1.00 49.31 O ATOM 1388 CB GLU A 209 -0.751 5.221 -1.402 1.00 46.82 C ATOM 1389 CG GLU A 209 -0.361 5.447 0.061 1.00 50.02 C ATOM 1390 CD GLU A 209 -1.164 4.721 1.140 1.00 54.97 C ATOM 1391 OE1 GLU A 209 -1.959 3.820 0.796 1.00 56.46 O ATOM 1392 OE2 GLU A 209 -0.992 5.066 2.346 1.00 52.04 O ATOM 1393 H GLU A 209 -1.987 7.465 -1.736 1.00 0.00 H ATOM 1394 N SER A 210 -0.987 6.246 -4.691 1.00 47.02 N ATOM 1395 CA SER A 210 -0.966 5.810 -6.094 1.00 48.52 C ATOM 1396 C SER A 210 0.118 6.556 -6.884 1.00 52.71 C ATOM 1397 O SER A 210 0.666 6.012 -7.842 1.00 58.24 O ATOM 1398 CB SER A 210 -2.328 6.004 -6.728 1.00 48.49 C ATOM 1399 OG SER A 210 -2.270 5.841 -8.134 1.00 51.52 O ATOM 1400 HG SER A 210 -1.646 6.508 -8.517 1.00 0.00 H ATOM 1401 H SER A 210 -1.744 6.887 -4.379 1.00 0.00 H ATOM 1402 N ARG A 211 0.395 7.803 -6.486 1.00 55.51 N ATOM 1403 CA ARG A 211 1.205 8.743 -7.241 1.00 58.85 C ATOM 1404 C ARG A 211 2.327 9.279 -6.346 1.00 62.31 C ATOM 1405 O ARG A 211 3.105 10.127 -6.777 1.00 64.94 O ATOM 1406 CB ARG A 211 0.324 9.887 -7.754 1.00 59.78 C ATOM 1407 H ARG A 211 0.004 8.120 -5.576 1.00 0.00 H TER 1408 ARG A 211 HETATM 1409 O HOH 1 -1.865 -8.214 29.730 1.00 44.49 O HETATM 1410 O HOH 2 2.669 4.064 24.336 1.00 47.11 O HETATM 1411 O HOH 3 -5.534 0.479 1.124 1.00 56.51 O HETATM 1412 O HOH 4 -11.642 15.177 0.374 1.00 35.80 O HETATM 1413 O HOH 5 -20.771 6.421 14.707 1.00 56.13 O HETATM 1414 O HOH 6 1.409 3.055 9.053 1.00 28.17 O HETATM 1415 O HOH 7 -16.434 1.531 29.092 1.00 32.83 O HETATM 1416 O HOH 8 -20.009 -10.386 22.312 1.00 39.72 O HETATM 1417 O HOH 9 -7.191 -23.505 15.132 1.00 40.76 O HETATM 1418 O HOH 10 1.301 -15.461 19.441 1.00 29.30 O HETATM 1419 O HOH 11 -10.450 12.953 -2.943 1.00 46.84 O HETATM 1420 O HOH 12 -1.433 13.890 19.666 1.00 34.88 O HETATM 1421 O HOH 13 -9.340 -6.178 2.135 1.00 50.37 O HETATM 1422 O HOH 14 -11.718 8.978 23.667 1.00 49.87 O HETATM 1423 O HOH 15 1.219 5.415 22.688 1.00 44.93 O HETATM 1424 O HOH 16 -4.792 12.416 4.048 1.00 42.15 O HETATM 1425 O HOH 17 2.524 8.609 16.702 1.00 25.76 O HETATM 1426 O HOH 18 -0.744 -10.116 6.837 1.00 47.18 O HETATM 1427 O HOH 19 -7.894 0.975 28.185 1.00 35.19 O HETATM 1428 O HOH 20 -2.557 6.617 12.884 1.00 26.27 O HETATM 1429 O HOH 21 -14.331 14.912 19.452 1.00 53.01 O HETATM 1430 O HOH 22 -4.092 3.602 -4.341 1.00 42.22 O HETATM 1431 O HOH 23 -19.677 6.103 3.041 1.00 46.29 O HETATM 1432 O HOH 24 0.275 -2.151 4.121 1.00 35.30 O HETATM 1433 O HOH 25 6.898 -3.400 17.685 1.00 45.40 O HETATM 1434 O HOH 26 -8.264 4.309 26.387 1.00 38.85 O HETATM 1435 O HOH 27 -7.443 -13.109 9.511 1.00 35.44 O HETATM 1436 O HOH 28 -18.793 -23.864 10.850 1.00 51.97 O HETATM 1437 O HOH 29 -16.135 -22.688 11.181 1.00 63.04 O HETATM 1438 O HOH 30 -10.336 -23.283 18.837 1.00 44.87 O HETATM 1439 O HOH 31 -18.680 -4.362 2.511 1.00 59.06 O HETATM 1440 O HOH 32 8.585 -13.839 21.002 1.00 28.17 O HETATM 1441 O HOH 33 -3.668 2.776 10.637 1.00 22.81 O HETATM 1442 O HOH 34 -3.088 -11.695 27.932 1.00 29.71 O HETATM 1443 O HOH 35 -0.278 -14.342 23.421 1.00 29.91 O HETATM 1444 O HOH 36 -1.110 -18.184 25.457 1.00 43.44 O HETATM 1445 O HOH 37 -12.145 12.776 6.062 1.00 34.03 O HETATM 1446 O HOH 38 -7.407 8.966 24.009 1.00 44.99 O HETATM 1447 O HOH 39 4.157 -8.654 6.126 1.00 45.72 O HETATM 1448 O HOH 40 -4.012 0.661 6.740 1.00 24.54 O HETATM 1449 O HOH 41 -1.205 -9.547 11.303 1.00 47.37 O HETATM 1450 O HOH 42 -5.411 6.222 26.046 1.00 39.27 O HETATM 1451 O HOH 43 -11.138 -1.046 32.300 1.00 30.93 O HETATM 1452 O HOH 44 2.253 -20.165 21.767 1.00 34.64 O HETATM 1453 O HOH 45 3.111 11.817 19.830 1.00 28.54 O HETATM 1454 O HOH 46 6.395 -4.135 6.923 1.00 36.89 O HETATM 1455 O HOH 47 -22.303 6.047 23.457 1.00 52.43 O HETATM 1456 O HOH 48 -14.716 10.066 21.952 1.00 34.75 O HETATM 1457 O HOH 49 -15.021 3.251 30.432 1.00 44.56 O HETATM 1458 O HOH 50 -8.214 12.661 20.565 1.00 38.00 O HETATM 1459 O HOH 51 -1.171 0.973 28.426 1.00 32.99 O HETATM 1460 O HOH 52 -4.179 1.454 4.145 1.00 32.40 O HETATM 1461 O HOH 53 -12.388 12.887 10.013 1.00 32.23 O HETATM 1462 O HOH 54 -18.029 -9.895 7.602 1.00 38.58 O HETATM 1463 O HOH 55 4.113 2.504 19.599 1.00 24.50 O HETATM 1464 O HOH 56 -1.468 7.495 20.512 1.00 24.37 O HETATM 1465 O HOH 57 -21.116 8.596 23.066 1.00 51.41 O HETATM 1466 O HOH 58 -17.461 9.832 2.191 1.00 27.04 O HETATM 1467 O HOH 59 -15.111 -19.079 14.699 1.00 49.33 O HETATM 1468 O HOH 60 -4.683 -10.259 9.986 1.00 41.51 O HETATM 1469 O HOH 61 -14.755 -2.619 29.316 1.00 38.69 O HETATM 1470 O HOH 62 1.224 7.982 19.240 1.00 30.99 O HETATM 1471 O HOH 63 -9.214 -6.560 7.646 1.00 39.86 O HETATM 1472 O HOH 64 -12.643 15.886 17.713 1.00 50.05 O HETATM 1473 O HOH 65 3.815 -15.470 25.709 1.00 29.98 O HETATM 1474 O HOH 66 -8.027 13.769 18.123 1.00 49.41 O HETATM 1475 O HOH 67 -13.263 8.968 26.109 1.00 53.68 O HETATM 1476 O HOH 68 -5.241 12.803 -2.233 1.00 61.31 O HETATM 1477 O HOH 69 -20.368 -16.994 19.592 1.00 49.37 O HETATM 1478 O HOH 70 -3.200 -8.695 5.961 1.00 41.51 O HETATM 1479 O HOH 71 -5.451 8.783 10.478 1.00 23.54 O HETATM 1480 O HOH 72 -16.497 -16.124 10.266 1.00 40.41 O HETATM 1481 O HOH 73 -3.473 -13.839 15.557 1.00 21.25 O HETATM 1482 O HOH 74 -11.694 10.799 -0.963 1.00 20.88 O HETATM 1483 O HOH 75 -17.536 18.942 13.683 1.00 50.46 O HETATM 1484 O HOH 76 -0.791 12.587 17.113 1.00 27.10 O HETATM 1485 O HOH 77 -11.819 -23.091 21.755 1.00 37.95 O HETATM 1486 O HOH 78 -9.457 -11.364 31.210 1.00 26.28 O HETATM 1487 O HOH 79 4.300 0.180 22.726 1.00 42.49 O HETATM 1488 O HOH 80 8.361 2.636 4.875 1.00 44.15 O HETATM 1489 O HOH 81 5.899 -6.514 9.790 1.00 29.11 O HETATM 1490 O HOH 82 7.838 -11.585 24.453 1.00 39.44 O HETATM 1491 O HOH 83 -9.553 7.244 23.288 1.00 42.02 O HETATM 1492 O HOH 84 -18.870 -15.513 11.784 1.00 55.66 O HETATM 1493 O HOH 85 -16.970 -16.765 21.617 1.00 36.99 O HETATM 1494 O HOH 86 -0.474 -14.358 30.836 1.00 32.80 O HETATM 1495 O HOH 87 -13.953 -1.851 26.673 1.00 24.46 O HETATM 1496 O HOH 88 7.079 -1.161 13.176 1.00 32.88 O HETATM 1497 O HOH 89 -1.275 -12.931 17.170 1.00 31.08 O HETATM 1498 O HOH 90 -9.809 13.517 4.147 1.00 37.75 O HETATM 1499 O HOH 91 -7.179 1.059 -2.211 1.00 35.90 O HETATM 1500 O HOH 92 -19.980 -6.709 20.122 1.00 49.24 O HETATM 1501 O HOH 93 -7.926 -9.578 32.586 1.00 23.63 O HETATM 1502 O HOH 94 -17.326 12.910 3.902 1.00 38.95 O HETATM 1503 O HOH 95 -10.948 16.234 3.641 1.00 44.25 O HETATM 1504 O HOH 96 -21.045 7.438 11.386 1.00 42.23 O HETATM 1505 O HOH 97 -20.946 9.009 8.662 1.00 52.03 O HETATM 1506 O HOH 98 -16.946 -3.952 9.415 1.00 37.77 O HETATM 1507 O HOH 99 -6.470 -17.978 32.483 1.00 31.07 O HETATM 1508 O HOH 100 -5.788 4.558 1.599 1.00 36.22 O HETATM 1509 O HOH 101 -22.211 4.728 6.467 1.00 60.00 O HETATM 1510 O HOH 102 5.545 -5.114 19.039 1.00 27.10 O HETATM 1511 O HOH 103 -11.509 -1.872 27.707 1.00 36.84 O HETATM 1512 O HOH 104 3.255 -1.387 4.160 1.00 41.03 O HETATM 1513 O HOH 105 -11.013 4.529 28.323 1.00 49.27 O HETATM 1514 O HOH 106 8.166 -9.899 22.516 1.00 45.70 O HETATM 1515 O HOH 107 -24.899 -0.077 1.632 1.00 56.70 O HETATM 1516 O HOH 108 -5.408 -12.262 11.500 1.00 44.23 O HETATM 1517 O HOH 109 2.943 -15.943 21.652 1.00 32.66 O HETATM 1518 O HOH 110 -12.855 -21.850 24.480 1.00 36.60 O HETATM 1519 O HOH 111 -7.081 13.796 3.319 1.00 45.10 O HETATM 1520 O HOH 112 -1.098 -9.912 18.485 1.00 56.41 O HETATM 1521 O HOH 113 4.068 -4.266 21.182 1.00 36.67 O HETATM 1522 O HOH 114 -21.701 -10.380 12.560 1.00 41.62 O HETATM 1523 O HOH 115 -19.139 -6.069 5.341 1.00 61.28 O HETATM 1524 O HOH 116 3.551 6.551 -6.567 1.00 57.08 O HETATM 1525 O HOH 117 -17.389 8.606 23.340 1.00 44.20 O HETATM 1526 O HOH 118 1.181 -16.455 24.330 1.00 32.63 O HETATM 1527 O HOH 119 -5.117 -9.990 7.314 1.00 44.26 O HETATM 1528 O HOH 120 -1.357 1.526 3.001 1.00 44.54 O HETATM 1529 O HOH 121 -2.367 8.392 -10.129 1.00 38.28 O HETATM 1530 O HOH 122 -21.324 0.366 26.295 1.00 59.31 O HETATM 1531 O HOH 123 7.093 -8.598 7.736 1.00 46.70 O HETATM 1532 O HOH 124 -12.423 1.756 28.672 1.00 32.81 O HETATM 1533 O HOH 125 -10.318 -21.017 26.609 1.00 53.65 O HETATM 1534 O HOH 126 -9.929 13.569 11.600 1.00 37.92 O HETATM 1535 O HOH 127 -3.248 -10.466 20.187 1.00 39.29 O HETATM 1536 O HOH 128 -1.824 5.972 28.480 1.00 49.82 O HETATM 1537 O HOH 129 -16.005 -4.679 8.291 1.00 32.13 O HETATM 1538 O HOH 130 6.675 3.562 3.881 1.00 41.43 O HETATM 1539 O HOH 131 -1.722 -15.870 32.984 1.00 40.21 O HETATM 1540 O HOH 132 0.905 -22.676 23.533 1.00 32.34 O HETATM 1541 O HOH 133 -1.429 0.432 7.325 1.00 27.40 O HETATM 1542 O HOH 134 -5.242 7.296 8.216 1.00 32.35 O HETATM 1543 O HOH 135 -11.681 -14.074 3.902 1.00 54.32 O HETATM 1544 O HOH 136 2.897 -18.651 23.939 1.00 44.39 O HETATM 1545 O HOH 137 -16.907 -6.577 6.718 1.00 40.85 O HETATM 1546 O HOH 138 11.747 -13.384 10.368 1.00 52.68 O HETATM 1547 O HOH 139 -0.024 0.295 4.971 1.00 44.72 O HETATM 1548 O HOH 140 -14.502 0.931 27.383 1.00 29.64 O HETATM 1549 O HOH 141 -20.041 9.118 1.617 1.00 42.75 O HETATM 1550 O HOH 142 -10.667 -1.689 -0.724 1.00 52.71 O HETATM 1551 O HOH 143 -7.007 5.347 7.815 1.00 41.15 O HETATM 1552 O HOH 144 -10.422 0.279 28.344 1.00 42.56 O HETATM 1553 O HOH 145 -13.501 -21.135 14.891 1.00 43.46 O HETATM 1554 O HOH 146 2.086 -20.651 26.009 1.00 41.51 O HETATM 1555 O HOH 147 -2.321 1.180 30.496 1.00 44.76 O HETATM 1556 O HOH 148 -4.653 1.609 -2.086 1.00 36.88 O HETATM 1557 O HOH 149 -7.177 5.107 6.757 1.00 38.48 O HETATM 1558 O HOH 150 -2.237 -9.082 32.644 1.00 42.80 O HETATM 1559 O HOH 151 -14.308 -20.637 16.688 1.00 46.39 O HETATM 1560 O HOH 152 -8.123 1.416 30.929 1.00 55.12 O HETATM 1561 O HOH 153 -5.350 3.128 8.108 1.00 41.96 O HETATM 1562 O HOH 154 -17.122 -5.201 -2.648 1.00 40.49 O HETATM 1563 O HOH 155 5.243 4.676 -8.066 1.00 53.21 O HETATM 1564 O HOH 156 -12.066 -20.310 29.332 1.00 44.73 O HETATM 1565 C30 J A 1 -2.285 -2.456 16.890 1.00 -0.07 C HETATM 1566 C29 J A 1 -2.288 -1.703 18.163 1.00 -0.05 C HETATM 1567 C28 J A 1 -0.879 -1.595 18.673 1.00 -0.03 C HETATM 1568 C27 J A 1 -0.887 -0.594 19.790 1.00 0.03 C HETATM 1569 N5 J A 1 0.487 -0.456 20.433 1.00 -0.27 N HETATM 1570 C23 J A 1 1.036 -1.580 21.244 1.00 0.03 C HETATM 1571 C24 J A 1 0.637 -1.500 22.721 1.00 -0.03 C HETATM 1572 C25 J A 1 1.412 -2.589 23.543 1.00 -0.05 C HETATM 1573 C26 J A 1 1.014 -2.434 25.012 1.00 -0.07 C HETATM 1574 H16 J A 1 1.542 -3.186 25.616 1.00 0.02 H HETATM 1575 H17 J A 1 -0.072 -2.578 25.115 1.00 0.02 H HETATM 1576 H18 J A 1 1.285 -1.427 25.361 1.00 0.02 H HETATM 1577 H14 J A 1 2.496 -2.442 23.431 1.00 0.03 H HETATM 1578 H15 J A 1 1.140 -3.593 23.185 1.00 0.03 H HETATM 1579 H12 J A 1 -0.445 -1.673 22.816 1.00 0.03 H HETATM 1580 H13 J A 1 0.885 -0.502 23.112 1.00 0.03 H HETATM 1581 H10 J A 1 2.134 -1.559 21.175 1.00 0.05 H HETATM 1582 H11 J A 1 0.661 -2.527 20.830 1.00 0.05 H HETATM 1583 C22 J A 1 1.184 0.674 20.288 1.00 0.21 C HETATM 1584 O2 J A 1 2.263 0.883 20.837 1.00 -0.39 O HETATM 1585 C18 J A 1 0.793 1.752 19.347 1.00 0.10 C HETATM 1586 N4 J A 1 0.635 1.515 18.083 1.00 -0.19 N HETATM 1587 N3 J A 1 0.347 2.662 17.477 1.00 -0.15 N HETATM 1588 C20 J A 1 0.312 3.666 18.382 1.00 0.09 C HETATM 1589 C19 J A 1 0.577 3.100 19.625 1.00 -0.03 C HETATM 1590 H19 J A 1 0.608 3.597 20.593 1.00 0.03 H HETATM 1591 C21 J A 1 -0.027 5.086 18.089 1.00 0.00 C HETATM 1592 H20 J A 1 0.026 5.675 19.017 1.00 0.04 H HETATM 1593 H21 J A 1 -1.045 5.142 17.676 1.00 0.04 H HETATM 1594 H22 J A 1 0.688 5.490 17.357 1.00 0.04 H HETATM 1595 C13 J A 1 0.252 2.752 16.021 1.00 0.13 C HETATM 1596 C14 J A 1 -0.829 3.217 15.310 1.00 -0.02 C HETATM 1597 C15 J A 1 -0.715 3.288 13.973 1.00 -0.06 C HETATM 1598 C16 J A 1 0.407 2.832 13.294 1.00 -0.06 C HETATM 1599 C17 J A 1 1.490 2.338 14.040 1.00 -0.05 C HETATM 1600 C12 J A 1 1.407 2.346 15.392 1.00 0.09 C HETATM 1601 C11 J A 1 2.582 1.815 16.216 1.00 0.21 C HETATM 1602 O1 J A 1 3.174 2.579 17.014 1.00 -0.39 O HETATM 1603 N1 J A 1 3.004 0.561 16.032 1.00 -0.25 N HETATM 1604 C7 J A 1 2.256 -0.427 15.230 1.00 0.07 C HETATM 1605 C6 J A 1 2.067 -1.757 15.927 1.00 -0.02 C HETATM 1606 C4 J A 1 1.285 -2.720 15.320 1.00 -0.06 C HETATM 1607 C3 J A 1 1.105 -3.947 15.932 1.00 -0.08 C HETATM 1608 C2 J A 1 1.738 -4.208 17.125 1.00 -0.08 C HETATM 1609 C1 J A 1 2.488 -3.267 17.783 1.00 -0.07 C HETATM 1610 C5 J A 1 2.672 -2.026 17.135 1.00 -0.04 C HETATM 1611 C10 J A 1 3.495 -0.974 17.795 1.00 0.01 C HETATM 1612 C8 J A 1 4.098 0.018 16.838 1.00 0.09 C HETATM 1613 C9 J A 1 5.210 -0.657 16.055 1.00 -0.01 C HETATM 1614 N2 J A 1 6.010 0.379 15.404 1.00 0.22 N HETATM 1615 H38 J A 1 6.755 -0.052 14.879 1.00 0.20 H HETATM 1616 H39 J A 1 6.402 0.990 16.103 1.00 0.20 H HETATM 1617 H40 J A 1 5.425 0.913 14.781 1.00 0.20 H HETATM 1618 H36 J A 1 4.777 -1.325 15.295 1.00 0.08 H HETATM 1619 H37 J A 1 5.844 -1.241 16.738 1.00 0.08 H HETATM 1620 H35 J A 1 4.546 0.846 17.407 1.00 0.06 H HETATM 1621 H33 J A 1 4.311 -1.466 18.343 1.00 0.04 H HETATM 1622 H34 J A 1 2.855 -0.427 18.503 1.00 0.04 H HETATM 1623 H32 J A 1 2.920 -3.467 18.757 1.00 0.05 H HETATM 1624 H31 J A 1 1.640 -5.195 17.562 1.00 0.05 H HETATM 1625 H30 J A 1 0.470 -4.697 15.475 1.00 0.05 H HETATM 1626 H29 J A 1 0.813 -2.514 14.366 1.00 0.05 H HETATM 1627 H27 J A 1 2.805 -0.601 14.293 1.00 0.07 H HETATM 1628 H28 J A 1 1.264 -0.010 15.002 1.00 0.07 H HETATM 1629 H26 J A 1 2.375 1.958 13.543 1.00 0.07 H HETATM 1630 H25 J A 1 0.446 2.857 12.211 1.00 0.06 H HETATM 1631 H24 J A 1 -1.530 3.718 13.403 1.00 0.06 H HETATM 1632 H23 J A 1 -1.742 3.516 15.811 1.00 0.06 H HETATM 1633 H8 J A 1 -1.607 -0.919 20.555 1.00 0.05 H HETATM 1634 H9 J A 1 -1.193 0.384 19.390 1.00 0.05 H HETATM 1635 H6 J A 1 -0.212 -1.255 17.867 1.00 0.03 H HETATM 1636 H7 J A 1 -0.537 -2.572 19.045 1.00 0.03 H HETATM 1637 H4 J A 1 -2.908 -2.232 18.902 1.00 0.03 H HETATM 1638 H5 J A 1 -2.697 -0.696 17.994 1.00 0.03 H HETATM 1639 H1 J A 1 -3.314 -2.539 16.511 1.00 0.02 H HETATM 1640 H2 J A 1 -1.875 -3.462 17.060 1.00 0.02 H HETATM 1641 H3 J A 1 -1.664 -1.927 16.152 1.00 0.02 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 254 255 259 260 261 CONECT 259 254 CONECT 260 254 CONECT 261 254 CONECT 1565 1566 1639 1640 1641 CONECT 1566 1565 1567 1637 1638 CONECT 1567 1566 1568 1635 1636 CONECT 1568 1567 1569 1633 1634 CONECT 1569 1568 1570 1583 CONECT 1570 1569 1571 1581 1582 CONECT 1571 1570 1572 1579 1580 CONECT 1572 1571 1573 1577 1578 CONECT 1573 1572 1574 1575 1576 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1573 CONECT 1577 1572 CONECT 1578 1572 CONECT 1579 1571 CONECT 1580 1571 CONECT 1581 1570 CONECT 1582 1570 CONECT 1583 1569 1584 1585 CONECT 1584 1583 CONECT 1585 1583 1586 1589 CONECT 1586 1585 1587 CONECT 1587 1586 1588 1595 CONECT 1588 1587 1589 1591 CONECT 1589 1585 1588 1590 CONECT 1590 1589 CONECT 1591 1588 1592 1593 1594 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1591 CONECT 1595 1587 1596 1600 CONECT 1596 1595 1597 1632 CONECT 1597 1596 1598 1631 CONECT 1598 1597 1599 1630 CONECT 1599 1598 1600 1629 CONECT 1600 1595 1599 1601 CONECT 1601 1600 1602 1603 CONECT 1602 1601 CONECT 1603 1601 1604 1612 CONECT 1604 1603 1605 1627 1628 CONECT 1605 1604 1606 1610 CONECT 1606 1605 1607 1626 CONECT 1607 1606 1608 1625 CONECT 1608 1607 1609 1624 CONECT 1609 1608 1610 1623 CONECT 1610 1605 1609 1611 CONECT 1611 1610 1612 1621 1622 CONECT 1612 1603 1611 1613 1620 CONECT 1613 1612 1614 1618 1619 CONECT 1614 1613 1615 1616 1617 CONECT 1615 1614 CONECT 1616 1614 CONECT 1617 1614 CONECT 1618 1613 CONECT 1619 1613 CONECT 1620 1612 CONECT 1621 1611 CONECT 1622 1611 CONECT 1623 1609 CONECT 1624 1608 CONECT 1625 1607 CONECT 1626 1606 CONECT 1627 1604 CONECT 1628 1604 CONECT 1629 1599 CONECT 1630 1598 CONECT 1631 1597 CONECT 1632 1596 CONECT 1633 1568 CONECT 1634 1568 CONECT 1635 1567 CONECT 1636 1567 CONECT 1637 1566 CONECT 1638 1566 CONECT 1639 1565 CONECT 1640 1565 CONECT 1641 1565 MASTER 0 0 0 0 0 0 0 0 1639 2 85 12 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6qgk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6qgj
RCSB PDB
PDBbind
177aa, >6QGJ_1|Chain... at 100%
6qgh
RCSB PDB
PDBbind
177aa, >6QGH_1|Chain... at 100%
6qgg
RCSB PDB
PDBbind
177aa, >6QGG_1|Chain... *
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
6qgk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Bcl-2
Ligand Name
J1Q
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=0.2uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Omega Vol. 4: pp. 8892-8906
Ligand Properties
Formula
C
3
0
H
4
0
N
5
O
2
Molecular Weight
502.671
Exact Mass
502.318
No. of atoms
77
No. of bonds
80
Polar Surface Area
86.08
LOGP Value
4.70 (
Computed with XLOGP3
)
3.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
CCCCN(C(=O)c1nn(c(c1)C)c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C[NH3+])CCCC
InChI String
InChI=1S/C30H39N5O2/c1-4-6-16-33(17-7-5-2)30(37)27-18-22(3)35(32-27)28-15-11-10-14-26(28)29(36)34-21-24-13-9-8-12-23(24)19-25(34)20-31/h8-15,18,25H,4-7,16-17,19-21,31H2,1-3H3/p+1/t25-/m0/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
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓