Browse entries in the PDBbind-CN Database
HEADER 6CQ1_COMPLEX COMPND 6CQ1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL SEQRES 2 A 123 LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU SEQRES 3 A 123 THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG SEQRES 4 A 123 ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE SEQRES 5 A 123 TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER SEQRES 6 A 123 VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE SEQRES 7 A 123 ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN SEQRES 8 A 123 LEU ARG VAL GLY ASN ILE MET ALA VAL MET ALA THR ALA SEQRES 9 A 123 MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG SEQRES 10 A 123 LYS PHE ILE LYS ALA SER SEQRES 1 B 123 ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL SEQRES 2 B 123 LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU SEQRES 3 B 123 THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG SEQRES 4 B 123 ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE SEQRES 5 B 123 TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER SEQRES 6 B 123 VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE SEQRES 7 B 123 ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN SEQRES 8 B 123 LEU ARG VAL GLY ASN ILE MET ALA VAL MET ALA THR ALA SEQRES 9 B 123 MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG SEQRES 10 B 123 LYS PHE ILE LYS ALA SER HET F A 8J 80 ATOM 1 N ASP A 6 -21.735 14.024 16.204 1.00 53.68 N ATOM 2 CA ASP A 6 -22.426 15.246 15.838 1.00 56.52 C ATOM 3 C ASP A 6 -22.150 16.325 16.868 1.00 56.23 C ATOM 4 O ASP A 6 -21.433 17.272 16.630 1.00 54.84 O ATOM 5 CB ASP A 6 -23.916 15.021 15.817 1.00 58.65 C ATOM 6 HN3 ASP A 6 -22.070 13.703 17.135 1.00 0.00 H ATOM 7 HN2 ASP A 6 -20.712 14.205 16.246 1.00 0.00 H ATOM 8 HN1 ASP A 6 -21.930 13.291 15.493 1.00 0.00 H ATOM 9 N SER A 7 -22.778 16.118 18.010 1.00 56.18 N ATOM 10 CA SER A 7 -22.583 16.993 19.156 1.00 55.77 C ATOM 11 C SER A 7 -21.622 16.399 20.179 1.00 50.27 C ATOM 12 O SER A 7 -21.558 16.885 21.312 1.00 49.87 O ATOM 13 CB SER A 7 -23.926 17.318 19.815 1.00 61.79 C ATOM 14 OG SER A 7 -24.451 16.192 20.497 1.00 63.31 O ATOM 15 HG SER A 7 -23.815 15.908 21.200 1.00 0.00 H ATOM 16 H SER A 7 -23.428 15.310 18.093 1.00 0.00 H ATOM 17 N GLN A 8 -20.875 15.361 19.805 1.00 44.58 N ATOM 18 CA GLN A 8 -19.927 14.756 20.724 1.00 39.79 C ATOM 19 C GLN A 8 -18.615 15.543 20.732 1.00 38.67 C ATOM 20 O GLN A 8 -18.358 16.395 19.876 1.00 37.27 O ATOM 21 CB GLN A 8 -19.681 13.289 20.356 1.00 40.48 C ATOM 22 CG GLN A 8 -20.952 12.488 20.085 1.00 43.61 C ATOM 23 CD GLN A 8 -20.686 11.010 19.847 1.00 44.58 C ATOM 24 OE1 GLN A 8 -19.541 10.586 19.700 1.00 41.81 O ATOM 25 NE2 GLN A 8 -21.752 10.216 19.816 1.00 47.61 N ATOM 26 HE22 GLN A 8 -22.703 10.617 19.945 1.00 0.00 H ATOM 27 HE21 GLN A 8 -21.635 9.194 19.663 1.00 0.00 H ATOM 28 H GLN A 8 -20.972 14.979 18.843 1.00 0.00 H ATOM 29 N ILE A 9 -17.781 15.248 21.723 1.00 35.76 N ATOM 30 CA ILE A 9 -16.491 15.913 21.873 1.00 35.25 C ATOM 31 C ILE A 9 -15.521 15.339 20.850 1.00 33.23 C ATOM 32 O ILE A 9 -15.388 14.117 20.728 1.00 31.62 O ATOM 33 CB ILE A 9 -15.955 15.735 23.302 1.00 36.54 C ATOM 34 CG1 ILE A 9 -16.947 16.305 24.317 1.00 37.22 C ATOM 35 CG2 ILE A 9 -14.578 16.385 23.443 1.00 34.61 C ATOM 36 CD1 ILE A 9 -16.589 15.998 25.764 1.00 37.16 C ATOM 37 H ILE A 9 -18.056 14.520 22.413 1.00 0.00 H ATOM 38 N GLN A 10 -14.847 16.203 20.135 1.00 33.47 N ATOM 39 CA GLN A 10 -13.920 15.791 19.121 1.00 32.54 C ATOM 40 C GLN A 10 -12.453 15.837 19.557 1.00 33.01 C ATOM 41 O GLN A 10 -11.933 16.817 20.013 1.00 34.86 O ATOM 42 CB GLN A 10 -14.172 16.501 17.775 1.00 38.13 C ATOM 43 CG GLN A 10 -12.999 16.518 16.820 1.00 42.91 C ATOM 44 CD GLN A 10 -12.823 15.235 15.999 1.00 46.91 C ATOM 45 NE2 GLN A 10 -13.547 14.206 16.358 1.00 47.00 N ATOM 46 HE22 GLN A 10 -13.470 13.309 15.838 1.00 0.00 H ATOM 47 HE21 GLN A 10 -14.200 14.285 17.164 1.00 0.00 H ATOM 48 H GLN A 10 -14.988 17.219 20.307 1.00 0.00 H ATOM 49 N PHE A 11 -11.783 14.714 19.365 1.00 29.03 N ATOM 50 CA PHE A 11 -10.377 14.568 19.730 1.00 30.32 C ATOM 51 C PHE A 11 -9.556 14.744 18.457 1.00 29.77 C ATOM 52 O PHE A 11 -9.370 13.793 17.693 1.00 28.73 O ATOM 53 CB PHE A 11 -10.131 13.206 20.371 1.00 30.19 C ATOM 54 CG PHE A 11 -10.579 13.118 21.800 1.00 28.61 C ATOM 55 CD1 PHE A 11 -11.897 13.372 22.149 1.00 30.80 C ATOM 56 CD2 PHE A 11 -9.685 12.758 22.793 1.00 32.96 C ATOM 57 CE1 PHE A 11 -12.309 13.284 23.474 1.00 34.63 C ATOM 58 CE2 PHE A 11 -10.088 12.665 24.109 1.00 32.66 C ATOM 59 CZ PHE A 11 -11.401 12.927 24.452 1.00 34.76 C ATOM 60 H PHE A 11 -12.276 13.904 18.938 1.00 0.00 H ATOM 61 N THR A 12 -8.972 15.884 18.219 1.00 32.99 N ATOM 62 CA THR A 12 -8.480 16.182 16.928 1.00 32.80 C ATOM 63 C THR A 12 -7.262 15.344 16.568 1.00 32.48 C ATOM 64 O THR A 12 -6.852 15.354 15.444 1.00 32.66 O ATOM 65 CB THR A 12 -8.226 17.673 16.788 1.00 36.73 C ATOM 66 OG1 THR A 12 -7.199 18.097 17.678 1.00 38.43 O ATOM 67 CG2 THR A 12 -9.474 18.350 17.166 1.00 39.94 C ATOM 68 HG1 THR A 12 -7.051 19.070 17.570 1.00 0.00 H ATOM 69 H THR A 12 -8.867 16.580 18.985 1.00 0.00 H ATOM 70 N ARG A 13 -6.640 14.788 17.582 1.00 33.24 N ATOM 71 CA ARG A 13 -5.416 14.094 17.302 1.00 35.31 C ATOM 72 C ARG A 13 -5.575 12.580 17.429 1.00 30.53 C ATOM 73 O ARG A 13 -4.638 11.871 17.253 1.00 27.26 O ATOM 74 CB ARG A 13 -4.315 14.580 18.238 1.00 43.78 C ATOM 75 CG ARG A 13 -3.769 15.978 17.931 1.00 52.38 C ATOM 76 CD ARG A 13 -2.527 16.027 17.025 1.00 57.17 C ATOM 77 NE ARG A 13 -2.721 15.457 15.701 1.00 61.13 N ATOM 78 CZ ARG A 13 -3.440 16.002 14.720 1.00 64.23 C ATOM 79 NH1 ARG A 13 -3.570 15.347 13.587 1.00 64.11 N ATOM 80 NH2 ARG A 13 -4.051 17.168 14.874 1.00 66.30 N ATOM 81 HE ARG A 13 -2.259 14.546 15.503 1.00 0.00 H ATOM 82 HH12 ARG A 13 -4.127 15.757 12.810 1.00 0.00 H ATOM 83 HH11 ARG A 13 -3.115 14.419 13.468 1.00 0.00 H ATOM 84 HH22 ARG A 13 -4.606 17.571 14.092 1.00 0.00 H ATOM 85 HH21 ARG A 13 -3.975 17.680 15.776 1.00 0.00 H ATOM 86 H ARG A 13 -7.019 14.848 18.549 1.00 0.00 H ATOM 87 N HIS A 14 -6.765 12.119 17.719 1.00 26.70 N ATOM 88 CA HIS A 14 -6.964 10.691 17.949 1.00 25.65 C ATOM 89 C HIS A 14 -6.657 9.864 16.705 1.00 26.21 C ATOM 90 O HIS A 14 -5.961 8.846 16.786 1.00 24.99 O ATOM 91 CB HIS A 14 -8.388 10.421 18.425 1.00 26.34 C ATOM 92 CG HIS A 14 -8.641 8.975 18.706 1.00 28.08 C ATOM 93 ND1 HIS A 14 -9.411 8.183 17.888 1.00 29.14 N ATOM 94 CD2 HIS A 14 -8.154 8.161 19.672 1.00 26.00 C ATOM 95 CE1 HIS A 14 -9.428 6.949 18.364 1.00 21.66 C ATOM 96 NE2 HIS A 14 -8.664 6.907 19.436 1.00 26.91 N ATOM 97 H HIS A 14 -7.572 12.772 17.786 1.00 0.00 H ATOM 98 N ALA A 15 -7.181 10.274 15.547 1.00 27.90 N ATOM 99 CA ALA A 15 -7.011 9.465 14.340 1.00 25.91 C ATOM 100 C ALA A 15 -5.542 9.336 13.955 1.00 25.13 C ATOM 101 O ALA A 15 -5.078 8.243 13.600 1.00 24.07 O ATOM 102 CB ALA A 15 -7.817 10.054 13.182 1.00 27.17 C ATOM 103 H ALA A 15 -7.710 11.168 15.503 1.00 0.00 H ATOM 104 N SER A 16 -4.794 10.441 14.021 1.00 26.10 N ATOM 105 CA SER A 16 -3.357 10.381 13.777 1.00 27.20 C ATOM 106 C SER A 16 -2.652 9.529 14.828 1.00 26.34 C ATOM 107 O SER A 16 -1.702 8.802 14.511 1.00 26.14 O ATOM 108 CB SER A 16 -2.775 11.791 13.755 1.00 36.45 C ATOM 109 OG SER A 16 -2.944 12.408 15.017 1.00 41.11 O ATOM 110 HG SER A 16 -3.909 12.458 15.232 1.00 0.00 H ATOM 111 H SER A 16 -5.240 11.352 14.248 1.00 0.00 H ATOM 112 N ASP A 17 -3.102 9.607 16.087 1.00 24.65 N ATOM 113 CA ASP A 17 -2.506 8.798 17.148 1.00 25.69 C ATOM 114 C ASP A 17 -2.750 7.310 16.916 1.00 23.16 C ATOM 115 O ASP A 17 -1.871 6.480 17.180 1.00 24.03 O ATOM 116 CB ASP A 17 -3.063 9.213 18.514 1.00 25.08 C ATOM 117 CG ASP A 17 -2.430 10.485 19.053 1.00 32.79 C ATOM 118 OD1 ASP A 17 -2.991 11.072 20.005 1.00 31.67 O ATOM 119 OD2 ASP A 17 -1.372 10.898 18.536 1.00 32.87 O ATOM 120 H ASP A 17 -3.886 10.252 16.313 1.00 0.00 H ATOM 121 N VAL A 18 -3.947 6.952 16.450 1.00 20.45 N ATOM 122 CA VAL A 18 -4.235 5.553 16.144 1.00 21.37 C ATOM 123 C VAL A 18 -3.321 5.059 15.029 1.00 19.09 C ATOM 124 O VAL A 18 -2.690 4.003 15.143 1.00 18.67 O ATOM 125 CB VAL A 18 -5.721 5.376 15.781 1.00 20.90 C ATOM 126 CG1 VAL A 18 -5.981 3.982 15.272 1.00 22.53 C ATOM 127 CG2 VAL A 18 -6.591 5.651 16.995 1.00 18.89 C ATOM 128 H VAL A 18 -4.681 7.674 16.303 1.00 0.00 H ATOM 129 N LEU A 19 -3.212 5.837 13.943 1.00 18.90 N ATOM 130 CA LEU A 19 -2.396 5.413 12.806 1.00 19.53 C ATOM 131 C LEU A 19 -0.933 5.239 13.197 1.00 20.28 C ATOM 132 O LEU A 19 -0.274 4.293 12.749 1.00 22.58 O ATOM 133 CB LEU A 19 -2.529 6.421 11.663 1.00 19.60 C ATOM 134 CG LEU A 19 -2.166 5.889 10.278 1.00 20.59 C ATOM 135 CD1 LEU A 19 -3.224 4.908 9.826 1.00 25.09 C ATOM 136 CD2 LEU A 19 -2.054 7.044 9.286 1.00 23.64 C ATOM 137 H LEU A 19 -3.711 6.749 13.909 1.00 0.00 H ATOM 138 N LEU A 20 -0.410 6.140 14.033 1.00 20.17 N ATOM 139 CA LEU A 20 0.967 6.011 14.504 1.00 21.75 C ATOM 140 C LEU A 20 1.179 4.687 15.231 1.00 20.09 C ATOM 141 O LEU A 20 2.167 3.984 14.987 1.00 22.92 O ATOM 142 CB LEU A 20 1.325 7.189 15.415 1.00 26.26 C ATOM 143 CG LEU A 20 2.707 7.088 16.060 1.00 28.02 C ATOM 144 CD1 LEU A 20 3.790 7.461 15.058 1.00 32.85 C ATOM 145 CD2 LEU A 20 2.797 7.975 17.292 1.00 33.04 C ATOM 146 H LEU A 20 -0.990 6.942 14.352 1.00 0.00 H ATOM 147 N ASN A 21 0.258 4.326 16.127 1.00 18.58 N ATOM 148 CA ASN A 21 0.380 3.054 16.835 1.00 16.92 C ATOM 149 C ASN A 21 0.209 1.864 15.895 1.00 20.07 C ATOM 150 O ASN A 21 0.853 0.826 16.092 1.00 18.63 O ATOM 151 CB ASN A 21 -0.632 2.989 17.977 1.00 19.92 C ATOM 152 CG ASN A 21 -0.163 3.741 19.207 1.00 22.19 C ATOM 153 OD1 ASN A 21 0.995 4.151 19.295 1.00 22.10 O ATOM 154 ND2 ASN A 21 -1.061 3.924 20.163 1.00 21.25 N ATOM 155 HD22 ASN A 21 -2.028 3.560 20.045 1.00 0.00 H ATOM 156 HD21 ASN A 21 -0.799 4.432 21.032 1.00 0.00 H ATOM 157 H ASN A 21 -0.549 4.952 16.322 1.00 0.00 H ATOM 158 N LEU A 22 -0.650 1.994 14.878 1.00 19.50 N ATOM 159 CA LEU A 22 -0.786 0.940 13.874 1.00 20.13 C ATOM 160 C LEU A 22 0.525 0.739 13.118 1.00 23.35 C ATOM 161 O LEU A 22 0.933 -0.400 12.848 1.00 20.18 O ATOM 162 CB LEU A 22 -1.929 1.290 12.917 1.00 17.60 C ATOM 163 CG LEU A 22 -3.359 1.088 13.439 1.00 21.63 C ATOM 164 CD1 LEU A 22 -4.389 1.504 12.398 1.00 20.73 C ATOM 165 CD2 LEU A 22 -3.607 -0.353 13.910 1.00 21.70 C ATOM 166 H LEU A 22 -1.228 2.855 14.801 1.00 0.00 H ATOM 167 N ASN A 23 1.205 1.839 12.776 1.00 20.87 N ATOM 168 CA ASN A 23 2.516 1.735 12.146 1.00 22.61 C ATOM 169 C ASN A 23 3.543 1.140 13.100 1.00 23.40 C ATOM 170 O ASN A 23 4.407 0.363 12.679 1.00 22.88 O ATOM 171 CB ASN A 23 2.972 3.105 11.649 1.00 25.98 C ATOM 172 CG ASN A 23 3.992 3.000 10.535 1.00 21.04 C ATOM 173 OD1 ASN A 23 4.072 1.978 9.859 1.00 21.12 O ATOM 174 ND2 ASN A 23 4.785 4.049 10.347 1.00 26.51 N ATOM 175 HD22 ASN A 23 4.680 4.894 10.945 1.00 0.00 H ATOM 176 HD21 ASN A 23 5.511 4.026 9.602 1.00 0.00 H ATOM 177 H ASN A 23 0.795 2.777 12.961 1.00 0.00 H ATOM 178 N ARG A 24 3.474 1.496 14.386 1.00 21.28 N ATOM 179 CA ARG A 24 4.372 0.888 15.362 1.00 20.94 C ATOM 180 C ARG A 24 4.147 -0.618 15.440 1.00 19.38 C ATOM 181 O ARG A 24 5.106 -1.394 15.546 1.00 22.34 O ATOM 182 CB ARG A 24 4.175 1.543 16.731 1.00 22.84 C ATOM 183 CG ARG A 24 4.773 2.944 16.840 1.00 22.50 C ATOM 184 CD ARG A 24 4.296 3.629 18.116 1.00 29.90 C ATOM 185 NE ARG A 24 5.056 4.835 18.427 1.00 32.54 N ATOM 186 CZ ARG A 24 4.658 5.761 19.294 1.00 32.79 C ATOM 187 NH1 ARG A 24 5.414 6.822 19.529 1.00 33.54 N ATOM 188 NH2 ARG A 24 3.498 5.628 19.922 1.00 31.73 N ATOM 189 HE ARG A 24 5.964 4.979 17.941 1.00 0.00 H ATOM 190 HH12 ARG A 24 5.100 7.544 20.208 1.00 0.00 H ATOM 191 HH11 ARG A 24 6.322 6.933 19.035 1.00 0.00 H ATOM 192 HH22 ARG A 24 3.188 6.353 20.600 1.00 0.00 H ATOM 193 HH21 ARG A 24 2.898 4.799 19.737 1.00 0.00 H ATOM 194 H ARG A 24 2.779 2.207 14.692 1.00 0.00 H ATOM 195 N LEU A 25 2.885 -1.052 15.384 1.00 19.26 N ATOM 196 CA LEU A 25 2.593 -2.480 15.411 1.00 17.24 C ATOM 197 C LEU A 25 3.158 -3.167 14.179 1.00 21.04 C ATOM 198 O LEU A 25 3.725 -4.262 14.278 1.00 21.36 O ATOM 199 CB LEU A 25 1.086 -2.712 15.510 1.00 18.40 C ATOM 200 CG LEU A 25 0.437 -2.350 16.854 1.00 21.19 C ATOM 201 CD1 LEU A 25 -1.081 -2.404 16.771 1.00 24.17 C ATOM 202 CD2 LEU A 25 0.944 -3.278 17.937 1.00 21.64 C ATOM 203 H LEU A 25 2.105 -0.367 15.321 1.00 0.00 H ATOM 204 N ARG A 26 3.032 -2.521 13.014 1.00 17.66 N ATOM 205 CA ARG A 26 3.620 -3.080 11.802 1.00 17.69 C ATOM 206 C ARG A 26 5.136 -3.203 11.937 1.00 19.03 C ATOM 207 O ARG A 26 5.720 -4.215 11.527 1.00 22.30 O ATOM 208 CB ARG A 26 3.246 -2.227 10.588 1.00 20.22 C ATOM 209 CG ARG A 26 4.077 -2.545 9.336 1.00 18.78 C ATOM 210 CD ARG A 26 3.539 -1.835 8.093 1.00 22.80 C ATOM 211 NE ARG A 26 3.961 -0.439 8.024 1.00 25.78 N ATOM 212 CZ ARG A 26 4.813 0.052 7.126 1.00 24.58 C ATOM 213 NH1 ARG A 26 5.355 -0.735 6.203 1.00 24.70 N ATOM 214 NH2 ARG A 26 5.121 1.341 7.145 1.00 26.29 N ATOM 215 HE ARG A 26 3.568 0.219 8.727 1.00 0.00 H ATOM 216 HH12 ARG A 26 6.019 -0.339 5.507 1.00 0.00 H ATOM 217 HH11 ARG A 26 5.115 -1.747 6.176 1.00 0.00 H ATOM 218 HH22 ARG A 26 5.786 1.727 6.445 1.00 0.00 H ATOM 219 HH21 ARG A 26 4.698 1.966 7.860 1.00 0.00 H ATOM 220 H ARG A 26 2.515 -1.620 12.973 1.00 0.00 H ATOM 221 N SER A 27 5.788 -2.199 12.540 1.00 20.66 N ATOM 222 CA SER A 27 7.242 -2.217 12.658 1.00 23.23 C ATOM 223 C SER A 27 7.730 -3.303 13.605 1.00 24.34 C ATOM 224 O SER A 27 8.911 -3.661 13.565 1.00 26.04 O ATOM 225 CB SER A 27 7.761 -0.857 13.128 1.00 25.17 C ATOM 226 OG SER A 27 7.189 -0.497 14.373 1.00 24.87 O ATOM 227 HG SER A 27 6.205 -0.447 14.280 1.00 0.00 H ATOM 228 H SER A 27 5.251 -1.398 12.928 1.00 0.00 H ATOM 229 N ARG A 28 6.853 -3.826 14.458 1.00 22.03 N ATOM 230 CA ARG A 28 7.192 -4.942 15.329 1.00 21.89 C ATOM 231 C ARG A 28 6.540 -6.242 14.876 1.00 23.14 C ATOM 232 O ARG A 28 6.646 -7.255 15.580 1.00 23.64 O ATOM 233 CB ARG A 28 6.799 -4.624 16.775 1.00 23.06 C ATOM 234 CG ARG A 28 7.421 -3.338 17.318 1.00 20.67 C ATOM 235 CD ARG A 28 6.885 -2.965 18.698 1.00 24.81 C ATOM 236 NE ARG A 28 7.192 -3.995 19.684 1.00 29.39 N ATOM 237 CZ ARG A 28 6.552 -4.138 20.842 1.00 29.34 C ATOM 238 NH1 ARG A 28 5.565 -3.317 21.165 1.00 29.92 N ATOM 239 NH2 ARG A 28 6.904 -5.106 21.672 1.00 32.66 N ATOM 240 HE ARG A 28 7.961 -4.661 19.468 1.00 0.00 H ATOM 241 HH12 ARG A 28 5.068 -3.433 22.071 1.00 0.00 H ATOM 242 HH11 ARG A 28 5.287 -2.556 20.513 1.00 0.00 H ATOM 243 HH22 ARG A 28 6.406 -5.221 22.578 1.00 0.00 H ATOM 244 HH21 ARG A 28 7.679 -5.752 21.419 1.00 0.00 H ATOM 245 H ARG A 28 5.895 -3.425 14.504 1.00 0.00 H ATOM 246 N ASP A 29 5.878 -6.236 13.713 1.00 21.74 N ATOM 247 CA ASP A 29 5.243 -7.426 13.145 1.00 23.33 C ATOM 248 C ASP A 29 4.189 -8.010 14.084 1.00 22.43 C ATOM 249 O ASP A 29 4.012 -9.230 14.164 1.00 23.07 O ATOM 250 CB ASP A 29 6.291 -8.481 12.777 1.00 27.49 C ATOM 251 CG ASP A 29 5.814 -9.442 11.696 1.00 31.54 C ATOM 252 OD1 ASP A 29 5.172 -8.989 10.722 1.00 27.43 O ATOM 253 OD2 ASP A 29 6.099 -10.655 11.815 1.00 32.59 O ATOM 254 H ASP A 29 5.811 -5.341 13.187 1.00 0.00 H ATOM 255 N ILE A 30 3.479 -7.136 14.777 1.00 22.38 N ATOM 256 CA ILE A 30 2.434 -7.591 15.646 1.00 21.22 C ATOM 257 C ILE A 30 1.114 -7.601 14.937 1.00 19.90 C ATOM 258 O ILE A 30 0.712 -6.601 14.449 1.00 20.03 O ATOM 259 CB ILE A 30 2.328 -6.718 16.925 1.00 20.72 C ATOM 260 CG1 ILE A 30 3.654 -6.726 17.658 1.00 21.58 C ATOM 261 CG2 ILE A 30 1.145 -7.148 17.745 1.00 20.71 C ATOM 262 CD1 ILE A 30 3.805 -5.813 18.847 1.00 24.20 C ATOM 263 H ILE A 30 3.679 -6.119 14.692 1.00 0.00 H ATOM 264 N LEU A 31 0.479 -8.747 14.925 1.00 20.51 N ATOM 265 CA LEU A 31 -0.842 -8.953 14.332 1.00 16.84 C ATOM 266 C LEU A 31 -0.881 -8.667 12.828 1.00 17.54 C ATOM 267 O LEU A 31 -1.968 -8.578 12.248 1.00 20.72 O ATOM 268 CB LEU A 31 -1.914 -8.134 15.063 1.00 19.98 C ATOM 269 CG LEU A 31 -2.293 -8.685 16.443 1.00 20.04 C ATOM 270 CD1 LEU A 31 -3.338 -7.795 17.055 1.00 24.80 C ATOM 271 CD2 LEU A 31 -2.805 -10.113 16.360 1.00 21.77 C ATOM 272 H LEU A 31 0.945 -9.565 15.367 1.00 0.00 H ATOM 273 N THR A 32 0.271 -8.544 12.171 1.00 20.45 N ATOM 274 CA THR A 32 0.273 -8.548 10.709 1.00 19.08 C ATOM 275 C THR A 32 -0.261 -9.881 10.195 1.00 20.73 C ATOM 276 O THR A 32 0.029 -10.941 10.757 1.00 20.12 O ATOM 277 CB THR A 32 1.680 -8.294 10.165 1.00 21.36 C ATOM 278 OG1 THR A 32 2.610 -9.213 10.755 1.00 24.79 O ATOM 279 CG2 THR A 32 2.123 -6.868 10.436 1.00 20.27 C ATOM 280 HG1 THR A 32 3.516 -9.040 10.396 1.00 0.00 H ATOM 281 H THR A 32 1.164 -8.446 12.695 1.00 0.00 H ATOM 282 N ASP A 33 -1.067 -9.828 9.130 1.00 18.18 N ATOM 283 CA ASP A 33 -1.788 -11.008 8.670 1.00 16.22 C ATOM 284 C ASP A 33 -1.669 -11.236 7.173 1.00 18.68 C ATOM 285 O ASP A 33 -2.385 -12.092 6.629 1.00 20.58 O ATOM 286 CB ASP A 33 -3.260 -10.916 9.050 1.00 17.23 C ATOM 287 CG ASP A 33 -3.919 -9.637 8.545 1.00 22.70 C ATOM 288 OD1 ASP A 33 -5.114 -9.465 8.868 1.00 25.14 O ATOM 289 OD2 ASP A 33 -3.265 -8.835 7.826 1.00 20.04 O ATOM 290 H ASP A 33 -1.182 -8.929 8.621 1.00 0.00 H ATOM 291 N VAL A 34 -0.758 -10.543 6.501 1.00 18.20 N ATOM 292 CA VAL A 34 -0.559 -10.776 5.075 1.00 16.84 C ATOM 293 C VAL A 34 0.846 -10.329 4.706 1.00 17.22 C ATOM 294 O VAL A 34 1.407 -9.411 5.312 1.00 18.22 O ATOM 295 CB VAL A 34 -1.643 -10.062 4.224 1.00 18.44 C ATOM 296 CG1 VAL A 34 -1.504 -8.551 4.294 1.00 16.78 C ATOM 297 CG2 VAL A 34 -1.609 -10.569 2.762 1.00 18.16 C ATOM 298 H VAL A 34 -0.183 -9.830 6.994 1.00 0.00 H ATOM 299 N VAL A 35 1.421 -10.994 3.706 1.00 19.56 N ATOM 300 CA VAL A 35 2.659 -10.555 3.082 1.00 21.72 C ATOM 301 C VAL A 35 2.346 -10.223 1.631 1.00 21.82 C ATOM 302 O VAL A 35 1.645 -10.980 0.944 1.00 19.92 O ATOM 303 CB VAL A 35 3.780 -11.606 3.202 1.00 25.31 C ATOM 304 CG1 VAL A 35 3.415 -12.896 2.495 1.00 25.00 C ATOM 305 CG2 VAL A 35 5.099 -11.044 2.687 1.00 24.81 C ATOM 306 H VAL A 35 0.967 -11.862 3.357 1.00 0.00 H ATOM 307 N ILE A 36 2.810 -9.065 1.194 1.00 18.74 N ATOM 308 CA ILE A 36 2.634 -8.602 -0.175 1.00 19.07 C ATOM 309 C ILE A 36 3.960 -8.830 -0.881 1.00 22.38 C ATOM 310 O ILE A 36 4.996 -8.315 -0.444 1.00 23.33 O ATOM 311 CB ILE A 36 2.220 -7.122 -0.204 1.00 21.55 C ATOM 312 CG1 ILE A 36 1.066 -6.856 0.775 1.00 20.22 C ATOM 313 CG2 ILE A 36 1.840 -6.689 -1.600 1.00 24.05 C ATOM 314 CD1 ILE A 36 -0.245 -7.510 0.387 1.00 22.70 C ATOM 315 H ILE A 36 3.326 -8.455 1.860 1.00 0.00 H ATOM 316 N VAL A 37 3.948 -9.612 -1.959 1.00 23.46 N ATOM 317 CA VAL A 37 5.159 -9.933 -2.699 1.00 27.18 C ATOM 318 C VAL A 37 5.231 -9.008 -3.900 1.00 26.65 C ATOM 319 O VAL A 37 4.274 -8.920 -4.679 1.00 25.46 O ATOM 320 CB VAL A 37 5.180 -11.410 -3.125 1.00 25.37 C ATOM 321 CG1 VAL A 37 6.427 -11.708 -3.951 1.00 24.66 C ATOM 322 CG2 VAL A 37 5.138 -12.297 -1.897 1.00 27.77 C ATOM 323 H VAL A 37 3.042 -10.007 -2.283 1.00 0.00 H ATOM 324 N VAL A 38 6.350 -8.298 -4.032 1.00 25.15 N ATOM 325 CA VAL A 38 6.575 -7.345 -5.115 1.00 27.07 C ATOM 326 C VAL A 38 7.915 -7.715 -5.743 1.00 27.38 C ATOM 327 O VAL A 38 8.974 -7.311 -5.246 1.00 29.50 O ATOM 328 CB VAL A 38 6.574 -5.890 -4.630 1.00 27.65 C ATOM 329 CG1 VAL A 38 6.625 -4.929 -5.813 1.00 30.25 C ATOM 330 CG2 VAL A 38 5.365 -5.609 -3.747 1.00 29.48 C ATOM 331 H VAL A 38 7.103 -8.429 -3.327 1.00 0.00 H ATOM 332 N SER A 39 7.877 -8.491 -6.825 1.00 35.56 N ATOM 333 CA SER A 39 9.081 -8.983 -7.501 1.00 36.09 C ATOM 334 C SER A 39 9.876 -9.795 -6.483 1.00 33.12 C ATOM 335 O SER A 39 9.338 -10.785 -5.954 1.00 31.58 O ATOM 336 CB SER A 39 9.822 -7.804 -8.143 1.00 46.56 C ATOM 337 OG SER A 39 9.043 -7.205 -9.165 1.00 52.37 O ATOM 338 HG SER A 39 9.545 -6.449 -9.561 1.00 0.00 H ATOM 339 H SER A 39 6.949 -8.761 -7.209 1.00 0.00 H ATOM 340 N ARG A 40 11.117 -9.433 -6.167 1.00 30.30 N ATOM 341 CA ARG A 40 11.925 -10.200 -5.230 1.00 32.82 C ATOM 342 C ARG A 40 11.799 -9.709 -3.795 1.00 34.45 C ATOM 343 O ARG A 40 12.567 -10.153 -2.937 1.00 40.17 O ATOM 344 CB ARG A 40 13.398 -10.177 -5.641 1.00 33.46 C ATOM 345 CG ARG A 40 13.662 -10.664 -7.065 1.00 41.19 C ATOM 346 CD ARG A 40 13.353 -12.158 -7.207 1.00 48.80 C ATOM 347 NE ARG A 40 13.563 -12.903 -5.966 1.00 51.24 N ATOM 348 CZ ARG A 40 12.751 -13.855 -5.520 1.00 53.50 C ATOM 349 NH1 ARG A 40 11.662 -14.172 -6.206 1.00 52.50 N ATOM 350 NH2 ARG A 40 13.023 -14.484 -4.384 1.00 53.65 N ATOM 351 HE ARG A 40 14.402 -12.673 -5.396 1.00 0.00 H ATOM 352 HH12 ARG A 40 11.026 -14.917 -5.857 1.00 0.00 H ATOM 353 HH11 ARG A 40 11.443 -13.675 -7.093 1.00 0.00 H ATOM 354 HH22 ARG A 40 12.386 -15.229 -4.037 1.00 0.00 H ATOM 355 HH21 ARG A 40 13.873 -14.232 -3.841 1.00 0.00 H ATOM 356 H ARG A 40 11.521 -8.579 -6.601 1.00 0.00 H ATOM 357 N GLU A 41 10.847 -8.825 -3.512 1.00 31.91 N ATOM 358 CA GLU A 41 10.700 -8.218 -2.197 1.00 32.83 C ATOM 359 C GLU A 41 9.394 -8.653 -1.545 1.00 32.15 C ATOM 360 O GLU A 41 8.447 -9.074 -2.213 1.00 31.73 O ATOM 361 CB GLU A 41 10.744 -6.687 -2.286 1.00 35.09 C ATOM 362 CG GLU A 41 12.060 -6.136 -2.800 1.00 39.03 C ATOM 363 CD GLU A 41 12.701 -5.174 -1.825 1.00 36.50 C ATOM 364 OE1 GLU A 41 12.414 -5.283 -0.616 1.00 38.29 O ATOM 365 OE2 GLU A 41 13.489 -4.316 -2.266 1.00 37.11 O ATOM 366 H GLU A 41 10.179 -8.556 -4.262 1.00 0.00 H ATOM 367 N GLN A 42 9.349 -8.536 -0.217 1.00 30.31 N ATOM 368 CA GLN A 42 8.161 -8.866 0.557 1.00 29.25 C ATOM 369 C GLN A 42 7.876 -7.755 1.558 1.00 29.09 C ATOM 370 O GLN A 42 8.801 -7.161 2.116 1.00 30.64 O ATOM 371 CB GLN A 42 8.317 -10.195 1.307 1.00 33.99 C ATOM 372 CG GLN A 42 8.621 -11.385 0.425 1.00 41.24 C ATOM 373 CD GLN A 42 8.901 -12.641 1.222 1.00 47.01 C ATOM 374 OE1 GLN A 42 9.982 -13.222 1.126 1.00 53.98 O ATOM 375 NE2 GLN A 42 7.927 -13.068 2.016 1.00 44.96 N ATOM 376 HE22 GLN A 42 7.029 -12.545 2.065 1.00 0.00 H ATOM 377 HE21 GLN A 42 8.061 -13.926 2.589 1.00 0.00 H ATOM 378 H GLN A 42 10.194 -8.196 0.284 1.00 0.00 H ATOM 379 N PHE A 43 6.592 -7.471 1.769 1.00 26.48 N ATOM 380 CA PHE A 43 6.148 -6.467 2.731 1.00 26.55 C ATOM 381 C PHE A 43 5.025 -7.067 3.562 1.00 24.78 C ATOM 382 O PHE A 43 4.020 -7.522 3.007 1.00 25.12 O ATOM 383 CB PHE A 43 5.661 -5.194 2.025 1.00 26.12 C ATOM 384 CG PHE A 43 6.670 -4.581 1.084 1.00 25.30 C ATOM 385 CD1 PHE A 43 6.737 -4.988 -0.237 1.00 27.33 C ATOM 386 CD2 PHE A 43 7.513 -3.564 1.508 1.00 27.36 C ATOM 387 CE1 PHE A 43 7.656 -4.419 -1.119 1.00 27.54 C ATOM 388 CE2 PHE A 43 8.424 -2.984 0.633 1.00 30.54 C ATOM 389 CZ PHE A 43 8.498 -3.418 -0.681 1.00 30.88 C ATOM 390 H PHE A 43 5.873 -7.988 1.224 1.00 0.00 H ATOM 391 N ARG A 44 5.187 -7.065 4.885 1.00 22.47 N ATOM 392 CA ARG A 44 4.134 -7.519 5.779 1.00 21.60 C ATOM 393 C ARG A 44 3.290 -6.328 6.212 1.00 22.44 C ATOM 394 O ARG A 44 3.796 -5.209 6.349 1.00 23.44 O ATOM 395 CB ARG A 44 4.727 -8.230 6.998 1.00 23.88 C ATOM 396 CG ARG A 44 5.480 -9.509 6.641 1.00 26.53 C ATOM 397 CD ARG A 44 5.688 -10.396 7.857 1.00 31.48 C ATOM 398 NE ARG A 44 4.432 -10.633 8.566 1.00 28.94 N ATOM 399 CZ ARG A 44 3.523 -11.537 8.213 1.00 30.15 C ATOM 400 NH1 ARG A 44 3.726 -12.321 7.160 1.00 32.00 N ATOM 401 NH2 ARG A 44 2.413 -11.668 8.927 1.00 32.17 N ATOM 402 HE ARG A 44 4.235 -10.053 9.407 1.00 0.00 H ATOM 403 HH12 ARG A 44 3.010 -13.026 6.891 1.00 0.00 H ATOM 404 HH11 ARG A 44 4.601 -12.230 6.605 1.00 0.00 H ATOM 405 HH22 ARG A 44 1.700 -12.374 8.654 1.00 0.00 H ATOM 406 HH21 ARG A 44 2.256 -11.065 9.760 1.00 0.00 H ATOM 407 H ARG A 44 6.086 -6.731 5.287 1.00 0.00 H ATOM 408 N ALA A 45 1.996 -6.572 6.418 1.00 22.33 N ATOM 409 CA ALA A 45 1.066 -5.486 6.711 1.00 19.97 C ATOM 410 C ALA A 45 -0.195 -6.047 7.360 1.00 18.10 C ATOM 411 O ALA A 45 -0.335 -7.257 7.562 1.00 20.05 O ATOM 412 CB ALA A 45 0.719 -4.705 5.438 1.00 16.94 C ATOM 413 H ALA A 45 1.644 -7.549 6.369 1.00 0.00 H ATOM 414 N HIS A 46 -1.120 -5.141 7.671 1.00 20.52 N ATOM 415 CA HIS A 46 -2.427 -5.472 8.225 1.00 21.24 C ATOM 416 C HIS A 46 -3.473 -5.326 7.130 1.00 15.57 C ATOM 417 O HIS A 46 -3.602 -4.246 6.541 1.00 16.93 O ATOM 418 CB HIS A 46 -2.771 -4.556 9.400 1.00 19.81 C ATOM 419 CG HIS A 46 -1.780 -4.611 10.519 1.00 20.84 C ATOM 420 ND1 HIS A 46 -0.811 -3.648 10.702 1.00 23.89 N ATOM 421 CD2 HIS A 46 -1.608 -5.513 11.514 1.00 21.45 C ATOM 422 CE1 HIS A 46 -0.085 -3.953 11.763 1.00 25.23 C ATOM 423 NE2 HIS A 46 -0.546 -5.083 12.273 1.00 23.26 N ATOM 424 H HIS A 46 -0.897 -4.138 7.509 1.00 0.00 H ATOM 425 N LYS A 47 -4.232 -6.399 6.882 1.00 20.27 N ATOM 426 CA LYS A 47 -5.239 -6.383 5.821 1.00 18.51 C ATOM 427 C LYS A 47 -6.228 -5.235 5.993 1.00 18.53 C ATOM 428 O LYS A 47 -6.618 -4.590 5.010 1.00 17.85 O ATOM 429 CB LYS A 47 -5.985 -7.717 5.781 1.00 18.53 C ATOM 430 CG LYS A 47 -5.180 -8.877 5.213 1.00 22.16 C ATOM 431 CD LYS A 47 -6.080 -10.096 5.045 1.00 28.00 C ATOM 432 CE LYS A 47 -5.328 -11.384 5.288 1.00 31.29 C ATOM 433 NZ LYS A 47 -6.197 -12.589 5.106 1.00 28.52 N ATOM 434 HZ1 LYS A 47 -6.991 -12.547 5.776 1.00 0.00 H ATOM 435 HZ2 LYS A 47 -6.563 -12.607 4.133 1.00 0.00 H ATOM 436 HZ3 LYS A 47 -5.638 -13.448 5.283 1.00 0.00 H ATOM 437 H LYS A 47 -4.104 -7.259 7.453 1.00 0.00 H ATOM 438 N THR A 48 -6.652 -4.965 7.238 1.00 16.66 N ATOM 439 CA THR A 48 -7.598 -3.877 7.470 1.00 18.05 C ATOM 440 C THR A 48 -7.038 -2.543 6.992 1.00 19.02 C ATOM 441 O THR A 48 -7.755 -1.747 6.372 1.00 19.97 O ATOM 442 CB THR A 48 -7.983 -3.803 8.953 1.00 21.51 C ATOM 443 OG1 THR A 48 -6.802 -3.751 9.766 1.00 20.32 O ATOM 444 CG2 THR A 48 -8.801 -5.018 9.340 1.00 23.19 C ATOM 445 HG1 THR A 48 -7.061 -3.703 10.720 1.00 0.00 H ATOM 446 H THR A 48 -6.306 -5.532 8.039 1.00 0.00 H ATOM 447 N VAL A 49 -5.757 -2.279 7.256 1.00 18.27 N ATOM 448 CA VAL A 49 -5.175 -1.008 6.827 1.00 18.09 C ATOM 449 C VAL A 49 -5.080 -0.955 5.305 1.00 20.17 C ATOM 450 O VAL A 49 -5.370 0.076 4.681 1.00 18.51 O ATOM 451 CB VAL A 49 -3.808 -0.795 7.503 1.00 14.96 C ATOM 452 CG1 VAL A 49 -3.140 0.446 6.958 1.00 20.60 C ATOM 453 CG2 VAL A 49 -4.003 -0.639 9.037 1.00 14.80 C ATOM 454 H VAL A 49 -5.175 -2.974 7.765 1.00 0.00 H ATOM 455 N LEU A 50 -4.708 -2.074 4.689 1.00 19.91 N ATOM 456 CA LEU A 50 -4.652 -2.155 3.233 1.00 20.31 C ATOM 457 C LEU A 50 -6.014 -1.871 2.603 1.00 19.38 C ATOM 458 O LEU A 50 -6.117 -1.078 1.658 1.00 19.77 O ATOM 459 CB LEU A 50 -4.143 -3.535 2.815 1.00 18.96 C ATOM 460 CG LEU A 50 -2.729 -3.941 3.227 1.00 21.00 C ATOM 461 CD1 LEU A 50 -2.406 -5.310 2.639 1.00 22.70 C ATOM 462 CD2 LEU A 50 -1.730 -2.912 2.750 1.00 22.84 C ATOM 463 H LEU A 50 -4.452 -2.907 5.256 1.00 0.00 H ATOM 464 N MET A 51 -7.049 -2.511 3.120 1.00 15.98 N ATOM 465 CA MET A 51 -8.388 -2.345 2.608 1.00 16.53 C ATOM 466 C MET A 51 -8.903 -0.928 2.791 1.00 18.47 C ATOM 467 O MET A 51 -9.574 -0.423 1.967 1.00 20.12 O ATOM 468 CB MET A 51 -9.363 -3.248 3.275 1.00 22.47 C ATOM 469 CG MET A 51 -9.301 -4.702 3.001 1.00 24.03 C ATOM 470 SD MET A 51 -10.530 -5.654 3.866 1.00 23.71 S ATOM 471 CE MET A 51 -11.971 -5.426 2.907 1.00 28.32 C ATOM 472 H MET A 51 -6.893 -3.155 3.922 1.00 0.00 H ATOM 473 N ALA A 52 -8.603 -0.316 3.931 1.00 19.25 N ATOM 474 CA ALA A 52 -9.047 1.047 4.202 1.00 18.15 C ATOM 475 C ALA A 52 -8.400 2.046 3.252 1.00 20.51 C ATOM 476 O ALA A 52 -8.991 3.089 2.950 1.00 22.56 O ATOM 477 CB ALA A 52 -8.740 1.410 5.654 1.00 18.67 C ATOM 478 H ALA A 52 -8.040 -0.819 4.646 1.00 0.00 H ATOM 479 N CYS A 53 -7.215 1.719 2.728 1.00 20.45 N ATOM 480 CA CYS A 53 -6.380 2.679 2.020 1.00 17.92 C ATOM 481 C CYS A 53 -6.312 2.482 0.510 1.00 18.83 C ATOM 482 O CYS A 53 -5.854 3.394 -0.182 1.00 23.87 O ATOM 483 CB CYS A 53 -4.955 2.635 2.585 1.00 20.30 C ATOM 484 SG CYS A 53 -4.790 3.342 4.212 1.00 22.85 S ATOM 485 H CYS A 53 -6.876 0.741 2.830 1.00 0.00 H ATOM 486 N SER A 54 -6.803 1.368 -0.020 1.00 21.82 N ATOM 487 CA SER A 54 -6.528 0.995 -1.406 1.00 20.06 C ATOM 488 C SER A 54 -7.737 0.297 -2.008 1.00 23.61 C ATOM 489 O SER A 54 -8.234 -0.682 -1.443 1.00 23.02 O ATOM 490 CB SER A 54 -5.291 0.084 -1.476 1.00 19.91 C ATOM 491 OG SER A 54 -5.257 -0.649 -2.693 1.00 22.03 O ATOM 492 HG SER A 54 -5.228 -0.019 -3.456 1.00 0.00 H ATOM 493 H SER A 54 -7.397 0.746 0.565 1.00 0.00 H ATOM 494 N GLY A 55 -8.210 0.799 -3.152 1.00 24.40 N ATOM 495 CA GLY A 55 -9.335 0.158 -3.815 1.00 25.04 C ATOM 496 C GLY A 55 -9.011 -1.246 -4.285 1.00 23.08 C ATOM 497 O GLY A 55 -9.872 -2.131 -4.272 1.00 22.39 O ATOM 498 H GLY A 55 -7.775 1.647 -3.568 1.00 0.00 H ATOM 499 N LEU A 56 -7.765 -1.472 -4.715 1.00 20.33 N ATOM 500 CA LEU A 56 -7.346 -2.810 -5.116 1.00 22.08 C ATOM 501 C LEU A 56 -7.395 -3.776 -3.939 1.00 22.38 C ATOM 502 O LEU A 56 -7.973 -4.865 -4.036 1.00 23.48 O ATOM 503 CB LEU A 56 -5.934 -2.768 -5.700 1.00 23.31 C ATOM 504 CG LEU A 56 -5.365 -4.126 -6.104 1.00 23.98 C ATOM 505 CD1 LEU A 56 -6.015 -4.636 -7.400 1.00 25.68 C ATOM 506 CD2 LEU A 56 -3.857 -4.031 -6.237 1.00 27.07 C ATOM 507 H LEU A 56 -7.087 -0.685 -4.764 1.00 0.00 H ATOM 508 N PHE A 57 -6.764 -3.401 -2.825 1.00 19.58 N ATOM 509 CA PHE A 57 -6.742 -4.289 -1.667 1.00 18.47 C ATOM 510 C PHE A 57 -8.128 -4.437 -1.058 1.00 19.12 C ATOM 511 O PHE A 57 -8.462 -5.507 -0.537 1.00 20.91 O ATOM 512 CB PHE A 57 -5.736 -3.779 -0.634 1.00 17.08 C ATOM 513 CG PHE A 57 -4.309 -4.047 -1.016 1.00 19.17 C ATOM 514 CD1 PHE A 57 -3.921 -5.313 -1.431 1.00 17.70 C ATOM 515 CD2 PHE A 57 -3.361 -3.037 -0.978 1.00 18.82 C ATOM 516 CE1 PHE A 57 -2.610 -5.572 -1.789 1.00 21.94 C ATOM 517 CE2 PHE A 57 -2.044 -3.287 -1.337 1.00 21.91 C ATOM 518 CZ PHE A 57 -1.671 -4.561 -1.752 1.00 20.90 C ATOM 519 H PHE A 57 -6.288 -2.477 -2.782 1.00 0.00 H ATOM 520 N TYR A 58 -8.956 -3.391 -1.131 1.00 18.06 N ATOM 521 CA TYR A 58 -10.348 -3.549 -0.731 1.00 19.73 C ATOM 522 C TYR A 58 -11.036 -4.617 -1.568 1.00 22.92 C ATOM 523 O TYR A 58 -11.679 -5.523 -1.029 1.00 25.16 O ATOM 524 CB TYR A 58 -11.112 -2.230 -0.849 1.00 24.16 C ATOM 525 CG TYR A 58 -12.582 -2.438 -0.587 1.00 23.17 C ATOM 526 CD1 TYR A 58 -13.064 -2.510 0.713 1.00 21.78 C ATOM 527 CD2 TYR A 58 -13.482 -2.602 -1.629 1.00 21.57 C ATOM 528 CE1 TYR A 58 -14.403 -2.727 0.966 1.00 26.11 C ATOM 529 CE2 TYR A 58 -14.824 -2.820 -1.389 1.00 23.86 C ATOM 530 CZ TYR A 58 -15.280 -2.879 -0.087 1.00 26.47 C ATOM 531 OH TYR A 58 -16.615 -3.094 0.163 1.00 30.60 O ATOM 532 HH TYR A 58 -16.768 -3.107 1.141 1.00 0.00 H ATOM 533 H TYR A 58 -8.610 -2.471 -1.471 1.00 0.00 H ATOM 534 N SER A 59 -10.905 -4.532 -2.898 1.00 20.69 N ATOM 535 CA SER A 59 -11.650 -5.443 -3.757 1.00 21.16 C ATOM 536 C SER A 59 -11.172 -6.883 -3.618 1.00 20.97 C ATOM 537 O SER A 59 -11.949 -7.814 -3.857 1.00 25.12 O ATOM 538 CB SER A 59 -11.563 -4.984 -5.212 1.00 22.22 C ATOM 539 OG SER A 59 -12.261 -3.765 -5.391 1.00 22.52 O ATOM 540 HG SER A 59 -13.213 -3.893 -5.150 1.00 0.00 H ATOM 541 H SER A 59 -10.274 -3.819 -3.316 1.00 0.00 H ATOM 542 N ILE A 60 -9.913 -7.092 -3.230 1.00 19.39 N ATOM 543 CA ILE A 60 -9.426 -8.452 -3.021 1.00 20.70 C ATOM 544 C ILE A 60 -10.003 -9.023 -1.730 1.00 22.23 C ATOM 545 O ILE A 60 -10.720 -10.029 -1.739 1.00 25.49 O ATOM 546 CB ILE A 60 -7.887 -8.481 -3.004 1.00 20.25 C ATOM 547 CG1 ILE A 60 -7.318 -8.069 -4.366 1.00 25.35 C ATOM 548 CG2 ILE A 60 -7.383 -9.869 -2.607 1.00 22.14 C ATOM 549 CD1 ILE A 60 -5.830 -7.796 -4.318 1.00 28.61 C ATOM 550 H ILE A 60 -9.277 -6.284 -3.076 1.00 0.00 H ATOM 551 N PHE A 61 -9.716 -8.378 -0.607 1.00 21.51 N ATOM 552 CA PHE A 61 -10.067 -8.981 0.674 1.00 21.73 C ATOM 553 C PHE A 61 -11.554 -8.883 1.001 1.00 25.17 C ATOM 554 O PHE A 61 -12.029 -9.637 1.853 1.00 27.10 O ATOM 555 CB PHE A 61 -9.235 -8.357 1.793 1.00 18.59 C ATOM 556 CG PHE A 61 -7.751 -8.529 1.619 1.00 20.73 C ATOM 557 CD1 PHE A 61 -7.186 -9.791 1.551 1.00 23.64 C ATOM 558 CD2 PHE A 61 -6.918 -7.426 1.538 1.00 22.75 C ATOM 559 CE1 PHE A 61 -5.816 -9.951 1.396 1.00 24.01 C ATOM 560 CE2 PHE A 61 -5.545 -7.577 1.378 1.00 22.62 C ATOM 561 CZ PHE A 61 -4.994 -8.841 1.307 1.00 22.02 C ATOM 562 H PHE A 61 -9.245 -7.451 -0.640 1.00 0.00 H ATOM 563 N THR A 62 -12.304 -7.975 0.367 1.00 25.00 N ATOM 564 CA THR A 62 -13.742 -7.956 0.618 1.00 25.98 C ATOM 565 C THR A 62 -14.429 -9.170 0.017 1.00 29.26 C ATOM 566 O THR A 62 -15.518 -9.541 0.469 1.00 34.18 O ATOM 567 CB THR A 62 -14.383 -6.671 0.081 1.00 29.41 C ATOM 568 OG1 THR A 62 -15.655 -6.471 0.712 1.00 33.81 O ATOM 569 CG2 THR A 62 -14.585 -6.749 -1.426 1.00 28.36 C ATOM 570 HG1 THR A 62 -16.245 -7.242 0.515 1.00 0.00 H ATOM 571 H THR A 62 -11.871 -7.296 -0.292 1.00 0.00 H ATOM 572 N ASP A 63 -13.808 -9.800 -0.977 1.00 26.10 N ATOM 573 CA ASP A 63 -14.333 -11.016 -1.578 1.00 30.04 C ATOM 574 C ASP A 63 -14.005 -12.194 -0.671 1.00 27.73 C ATOM 575 O ASP A 63 -12.832 -12.469 -0.399 1.00 27.27 O ATOM 576 CB ASP A 63 -13.732 -11.210 -2.968 1.00 30.00 C ATOM 577 CG ASP A 63 -14.412 -12.312 -3.761 1.00 34.58 C ATOM 578 OD1 ASP A 63 -15.214 -13.078 -3.178 1.00 34.00 O ATOM 579 OD2 ASP A 63 -14.140 -12.409 -4.979 1.00 34.18 O ATOM 580 H ASP A 63 -12.914 -9.409 -1.337 1.00 0.00 H ATOM 581 N GLN A 64 -15.026 -12.891 -0.256 1.00 33.62 N ATOM 582 CA GLN A 64 -14.863 -14.034 0.609 1.00 37.67 C ATOM 583 C GLN A 64 -14.014 -15.133 -0.052 1.00 33.70 C ATOM 584 O GLN A 64 -13.421 -15.930 0.584 1.00 32.35 O ATOM 585 CB GLN A 64 -16.224 -14.520 1.064 1.00 45.98 C ATOM 586 CG GLN A 64 -16.883 -13.612 2.088 1.00 52.31 C ATOM 587 CD GLN A 64 -16.548 -13.978 3.516 1.00 57.91 C ATOM 588 OE1 GLN A 64 -17.226 -13.591 4.458 1.00 60.89 O ATOM 589 NE2 GLN A 64 -15.510 -14.735 3.682 1.00 59.20 N ATOM 590 HE22 GLN A 64 -14.956 -15.046 2.859 1.00 0.00 H ATOM 591 HE21 GLN A 64 -15.231 -15.032 4.639 1.00 0.00 H ATOM 592 H GLN A 64 -15.983 -12.616 -0.556 1.00 0.00 H ATOM 593 N LEU A 65 -13.958 -15.127 -1.365 1.00 32.25 N ATOM 594 CA LEU A 65 -13.111 -16.075 -2.074 1.00 28.17 C ATOM 595 C LEU A 65 -11.633 -15.838 -1.809 1.00 28.33 C ATOM 596 O LEU A 65 -10.833 -16.764 -1.975 1.00 32.17 O ATOM 597 CB LEU A 65 -13.372 -15.996 -3.579 1.00 27.98 C ATOM 598 CG LEU A 65 -14.733 -16.485 -4.068 1.00 34.66 C ATOM 599 CD1 LEU A 65 -15.015 -15.941 -5.454 1.00 35.18 C ATOM 600 CD2 LEU A 65 -14.778 -18.005 -4.076 1.00 35.95 C ATOM 601 H LEU A 65 -14.524 -14.439 -1.902 1.00 0.00 H ATOM 602 N LYS A 66 -11.330 -14.601 -1.546 1.00 25.51 N ATOM 603 CA LYS A 66 -9.855 -14.266 -1.215 1.00 27.14 C ATOM 604 C LYS A 66 -9.532 -13.618 0.191 1.00 24.83 C ATOM 605 O LYS A 66 -8.373 -13.372 0.616 1.00 28.61 O ATOM 606 CB LYS A 66 -9.378 -13.296 -2.307 1.00 27.27 C ATOM 607 CG LYS A 66 -9.709 -13.728 -3.728 1.00 28.50 C ATOM 608 CD LYS A 66 -9.175 -12.722 -4.741 1.00 31.36 C ATOM 609 CE LYS A 66 -9.186 -13.295 -6.150 1.00 34.71 C ATOM 610 NZ LYS A 66 -8.400 -12.448 -7.090 1.00 36.36 N ATOM 611 HZ1 LYS A 66 -8.810 -11.493 -7.119 1.00 0.00 H ATOM 612 HZ2 LYS A 66 -7.414 -12.394 -6.764 1.00 0.00 H ATOM 613 HZ3 LYS A 66 -8.429 -12.868 -8.041 1.00 0.00 H ATOM 614 H LYS A 66 -12.058 -13.858 -1.558 1.00 0.00 H ATOM 615 N ARG A 67 -10.578 -13.446 0.995 1.00 27.04 N ATOM 616 CA ARG A 67 -10.384 -12.697 2.236 1.00 26.23 C ATOM 617 C ARG A 67 -9.368 -13.356 3.166 1.00 26.82 C ATOM 618 O ARG A 67 -8.697 -12.663 3.940 1.00 24.10 O ATOM 619 CB ARG A 67 -11.719 -12.526 2.961 1.00 30.13 C ATOM 620 CG ARG A 67 -11.625 -11.659 4.227 1.00 29.61 C ATOM 621 CD ARG A 67 -12.982 -11.386 4.829 1.00 31.37 C ATOM 622 NE ARG A 67 -13.882 -10.700 3.903 1.00 24.77 N ATOM 623 CZ ARG A 67 -15.134 -10.369 4.203 1.00 27.15 C ATOM 624 NH1 ARG A 67 -15.623 -10.655 5.405 1.00 29.50 N ATOM 625 NH2 ARG A 67 -15.901 -9.756 3.311 1.00 28.42 N ATOM 626 HE ARG A 67 -13.523 -10.458 2.958 1.00 0.00 H ATOM 627 HH12 ARG A 67 -16.602 -10.397 5.643 1.00 0.00 H ATOM 628 HH11 ARG A 67 -15.027 -11.136 6.108 1.00 0.00 H ATOM 629 HH22 ARG A 67 -16.879 -9.501 3.554 1.00 0.00 H ATOM 630 HH21 ARG A 67 -15.524 -9.531 2.368 1.00 0.00 H ATOM 631 H ARG A 67 -11.510 -13.834 0.747 1.00 0.00 H ATOM 632 N ASN A 68 -9.227 -14.676 3.103 1.00 24.75 N ATOM 633 CA ASN A 68 -8.359 -15.390 4.030 1.00 24.72 C ATOM 634 C ASN A 68 -6.953 -15.624 3.490 1.00 28.63 C ATOM 635 O ASN A 68 -6.158 -16.294 4.156 1.00 29.18 O ATOM 636 CB ASN A 68 -9.007 -16.723 4.417 1.00 25.02 C ATOM 637 CG ASN A 68 -10.311 -16.524 5.158 1.00 32.65 C ATOM 638 OD1 ASN A 68 -11.378 -16.917 4.689 1.00 38.34 O ATOM 639 ND2 ASN A 68 -10.233 -15.876 6.313 1.00 29.94 N ATOM 640 HD22 ASN A 68 -9.309 -15.562 6.672 1.00 0.00 H ATOM 641 HD21 ASN A 68 -11.096 -15.682 6.860 1.00 0.00 H ATOM 642 H ASN A 68 -9.747 -15.210 2.377 1.00 0.00 H ATOM 643 N LEU A 69 -6.622 -15.080 2.320 1.00 28.39 N ATOM 644 CA LEU A 69 -5.280 -15.239 1.776 1.00 28.33 C ATOM 645 C LEU A 69 -4.240 -14.648 2.719 1.00 23.81 C ATOM 646 O LEU A 69 -4.441 -13.582 3.303 1.00 25.95 O ATOM 647 CB LEU A 69 -5.177 -14.562 0.409 1.00 29.98 C ATOM 648 CG LEU A 69 -5.869 -15.248 -0.767 1.00 35.01 C ATOM 649 CD1 LEU A 69 -5.987 -14.286 -1.927 1.00 35.09 C ATOM 650 CD2 LEU A 69 -5.094 -16.481 -1.172 1.00 36.70 C ATOM 651 H LEU A 69 -7.330 -14.535 1.788 1.00 0.00 H ATOM 652 N SER A 70 -3.121 -15.355 2.864 1.00 28.86 N ATOM 653 CA SER A 70 -1.991 -14.877 3.645 1.00 31.37 C ATOM 654 C SER A 70 -0.873 -14.316 2.780 1.00 25.09 C ATOM 655 O SER A 70 0.074 -13.732 3.319 1.00 22.20 O ATOM 656 CB SER A 70 -1.434 -16.008 4.519 1.00 37.39 C ATOM 657 OG SER A 70 -0.846 -17.023 3.721 1.00 42.45 O ATOM 658 HG SER A 70 -1.529 -17.399 3.111 1.00 0.00 H ATOM 659 H SER A 70 -3.052 -16.284 2.401 1.00 0.00 H ATOM 660 N VAL A 71 -0.953 -14.494 1.464 1.00 22.68 N ATOM 661 CA VAL A 71 0.059 -14.019 0.530 1.00 23.55 C ATOM 662 C VAL A 71 -0.662 -13.380 -0.647 1.00 23.48 C ATOM 663 O VAL A 71 -1.623 -13.953 -1.171 1.00 23.65 O ATOM 664 CB VAL A 71 0.971 -15.161 0.035 1.00 30.15 C ATOM 665 CG1 VAL A 71 1.847 -14.681 -1.104 1.00 30.53 C ATOM 666 CG2 VAL A 71 1.815 -15.716 1.163 1.00 29.29 C ATOM 667 H VAL A 71 -1.779 -14.997 1.083 1.00 0.00 H ATOM 668 N ILE A 72 -0.214 -12.193 -1.051 1.00 23.79 N ATOM 669 CA ILE A 72 -0.708 -11.513 -2.244 1.00 24.84 C ATOM 670 C ILE A 72 0.490 -11.196 -3.126 1.00 22.62 C ATOM 671 O ILE A 72 1.416 -10.497 -2.697 1.00 25.43 O ATOM 672 CB ILE A 72 -1.482 -10.229 -1.903 1.00 25.41 C ATOM 673 CG1 ILE A 72 -2.630 -10.531 -0.937 1.00 26.24 C ATOM 674 CG2 ILE A 72 -1.993 -9.561 -3.179 1.00 27.52 C ATOM 675 CD1 ILE A 72 -3.667 -11.482 -1.494 1.00 28.62 C ATOM 676 H ILE A 72 0.526 -11.727 -0.488 1.00 0.00 H ATOM 677 N ASN A 73 0.469 -11.704 -4.357 1.00 22.82 N ATOM 678 CA ASN A 73 1.508 -11.431 -5.342 1.00 27.22 C ATOM 679 C ASN A 73 1.018 -10.298 -6.238 1.00 27.87 C ATOM 680 O ASN A 73 0.026 -10.454 -6.960 1.00 31.78 O ATOM 681 CB ASN A 73 1.828 -12.679 -6.161 1.00 24.29 C ATOM 682 CG ASN A 73 2.533 -13.753 -5.348 1.00 29.83 C ATOM 683 OD1 ASN A 73 3.725 -13.649 -5.057 1.00 36.30 O ATOM 684 ND2 ASN A 73 1.790 -14.781 -4.960 1.00 30.96 N ATOM 685 HD22 ASN A 73 0.786 -14.828 -5.229 1.00 0.00 H ATOM 686 HD21 ASN A 73 2.211 -15.540 -4.387 1.00 0.00 H ATOM 687 H ASN A 73 -0.323 -12.322 -4.627 1.00 0.00 H ATOM 688 N LEU A 74 1.700 -9.159 -6.181 1.00 27.01 N ATOM 689 CA LEU A 74 1.335 -8.037 -7.028 1.00 24.26 C ATOM 690 C LEU A 74 1.829 -8.276 -8.448 1.00 26.58 C ATOM 691 O LEU A 74 2.525 -9.253 -8.740 1.00 28.79 O ATOM 692 CB LEU A 74 1.916 -6.734 -6.489 1.00 24.08 C ATOM 693 CG LEU A 74 1.381 -6.286 -5.127 1.00 22.91 C ATOM 694 CD1 LEU A 74 1.804 -4.857 -4.832 1.00 26.68 C ATOM 695 CD2 LEU A 74 -0.132 -6.427 -5.081 1.00 23.63 C ATOM 696 H LEU A 74 2.502 -9.070 -5.525 1.00 0.00 H ATOM 697 N ASP A 75 1.461 -7.403 -9.342 1.00 29.09 N ATOM 698 CA ASP A 75 1.882 -7.450 -10.739 1.00 30.55 C ATOM 699 C ASP A 75 3.389 -7.361 -10.766 1.00 33.24 C ATOM 700 O ASP A 75 3.924 -6.544 -10.102 1.00 31.58 O ATOM 701 CB ASP A 75 1.198 -6.261 -11.436 1.00 27.96 C ATOM 702 CG ASP A 75 1.708 -5.974 -12.825 1.00 35.39 C ATOM 703 OD1 ASP A 75 1.175 -5.079 -13.412 1.00 35.38 O ATOM 704 OD2 ASP A 75 2.629 -6.592 -13.275 1.00 34.27 O ATOM 705 H ASP A 75 0.833 -6.630 -9.044 1.00 0.00 H ATOM 706 N PRO A 76 4.084 -8.210 -11.550 1.00 34.56 N ATOM 707 CA PRO A 76 5.559 -8.179 -11.559 1.00 37.33 C ATOM 708 C PRO A 76 6.145 -6.859 -12.033 1.00 35.76 C ATOM 709 O PRO A 76 7.335 -6.609 -11.809 1.00 37.07 O ATOM 710 CB PRO A 76 5.924 -9.321 -12.517 1.00 43.06 C ATOM 711 CG PRO A 76 4.792 -10.270 -12.429 1.00 44.16 C ATOM 712 CD PRO A 76 3.555 -9.430 -12.183 1.00 40.10 C ATOM 713 N GLU A 77 5.353 -6.010 -12.682 1.00 31.78 N ATOM 714 CA GLU A 77 5.846 -4.729 -13.161 1.00 34.53 C ATOM 715 C GLU A 77 5.883 -3.657 -12.080 1.00 33.92 C ATOM 716 O GLU A 77 6.418 -2.573 -12.331 1.00 35.11 O ATOM 717 CB GLU A 77 4.985 -4.248 -14.331 1.00 36.07 C ATOM 718 CG GLU A 77 5.109 -5.099 -15.581 1.00 35.33 C ATOM 719 CD GLU A 77 6.497 -5.039 -16.193 1.00 37.37 C ATOM 720 OE1 GLU A 77 7.095 -3.942 -16.218 1.00 40.10 O ATOM 721 OE2 GLU A 77 6.989 -6.092 -16.645 1.00 41.92 O ATOM 722 H GLU A 77 4.360 -6.268 -12.850 1.00 0.00 H ATOM 723 N ILE A 78 5.346 -3.923 -10.892 1.00 30.89 N ATOM 724 CA ILE A 78 5.303 -2.913 -9.838 1.00 33.12 C ATOM 725 C ILE A 78 6.698 -2.720 -9.255 1.00 31.40 C ATOM 726 O ILE A 78 7.376 -3.688 -8.895 1.00 33.16 O ATOM 727 CB ILE A 78 4.293 -3.305 -8.748 1.00 33.30 C ATOM 728 CG1 ILE A 78 2.877 -3.331 -9.324 1.00 34.93 C ATOM 729 CG2 ILE A 78 4.365 -2.332 -7.577 1.00 36.98 C ATOM 730 CD1 ILE A 78 2.483 -2.048 -10.024 1.00 35.38 C ATOM 731 H ILE A 78 4.950 -4.867 -10.711 1.00 0.00 H ATOM 732 N ASN A 79 7.120 -1.465 -9.152 1.00 33.21 N ATOM 733 CA ASN A 79 8.423 -1.130 -8.583 1.00 38.14 C ATOM 734 C ASN A 79 8.380 -1.239 -7.061 1.00 36.14 C ATOM 735 O ASN A 79 7.551 -0.575 -6.430 1.00 32.77 O ATOM 736 CB ASN A 79 8.817 0.281 -8.995 1.00 40.14 C ATOM 737 CG ASN A 79 9.999 0.812 -8.213 1.00 42.42 C ATOM 738 OD1 ASN A 79 9.869 1.761 -7.441 1.00 40.58 O ATOM 739 ND2 ASN A 79 11.165 0.211 -8.420 1.00 49.82 N ATOM 740 HD22 ASN A 79 11.228 -0.588 -9.082 1.00 0.00 H ATOM 741 HD21 ASN A 79 12.015 0.540 -7.920 1.00 0.00 H ATOM 742 H ASN A 79 6.504 -0.697 -9.487 1.00 0.00 H ATOM 743 N PRO A 80 9.250 -2.045 -6.437 1.00 35.76 N ATOM 744 CA PRO A 80 9.167 -2.213 -4.974 1.00 36.22 C ATOM 745 C PRO A 80 9.372 -0.923 -4.202 1.00 35.47 C ATOM 746 O PRO A 80 8.701 -0.712 -3.185 1.00 29.97 O ATOM 747 CB PRO A 80 10.273 -3.236 -4.675 1.00 37.20 C ATOM 748 CG PRO A 80 10.496 -3.947 -5.979 1.00 37.19 C ATOM 749 CD PRO A 80 10.280 -2.909 -7.035 1.00 38.93 C ATOM 750 N GLU A 81 10.279 -0.050 -4.649 1.00 39.29 N ATOM 751 CA GLU A 81 10.455 1.224 -3.958 1.00 38.75 C ATOM 752 C GLU A 81 9.177 2.051 -4.004 1.00 35.76 C ATOM 753 O GLU A 81 8.763 2.622 -2.988 1.00 32.32 O ATOM 754 CB GLU A 81 11.623 2.010 -4.554 1.00 41.56 C ATOM 755 CG GLU A 81 12.178 3.052 -3.586 1.00 43.80 C ATOM 756 CD GLU A 81 13.168 4.004 -4.226 1.00 48.43 C ATOM 757 OE1 GLU A 81 13.579 4.969 -3.546 1.00 49.04 O ATOM 758 OE2 GLU A 81 13.537 3.792 -5.400 1.00 48.14 O ATOM 759 H GLU A 81 10.856 -0.276 -5.484 1.00 0.00 H ATOM 760 N GLY A 82 8.531 2.112 -5.170 1.00 32.45 N ATOM 761 CA GLY A 82 7.271 2.830 -5.270 1.00 30.69 C ATOM 762 C GLY A 82 6.179 2.229 -4.405 1.00 33.66 C ATOM 763 O GLY A 82 5.381 2.955 -3.805 1.00 31.44 O ATOM 764 H GLY A 82 8.930 1.645 -6.009 1.00 0.00 H ATOM 765 N PHE A 83 6.125 0.898 -4.323 1.00 31.56 N ATOM 766 CA PHE A 83 5.143 0.291 -3.431 1.00 28.20 C ATOM 767 C PHE A 83 5.431 0.655 -1.983 1.00 25.70 C ATOM 768 O PHE A 83 4.510 0.977 -1.225 1.00 29.40 O ATOM 769 CB PHE A 83 5.107 -1.228 -3.579 1.00 28.23 C ATOM 770 CG PHE A 83 4.158 -1.887 -2.612 1.00 27.41 C ATOM 771 CD1 PHE A 83 2.792 -1.839 -2.830 1.00 30.26 C ATOM 772 CD2 PHE A 83 4.626 -2.513 -1.467 1.00 26.12 C ATOM 773 CE1 PHE A 83 1.908 -2.421 -1.938 1.00 27.69 C ATOM 774 CE2 PHE A 83 3.747 -3.099 -0.563 1.00 26.22 C ATOM 775 CZ PHE A 83 2.386 -3.054 -0.797 1.00 27.63 C ATOM 776 H PHE A 83 6.770 0.305 -4.884 1.00 0.00 H ATOM 777 N ASN A 84 6.707 0.611 -1.587 1.00 24.69 N ATOM 778 CA ASN A 84 7.082 0.918 -0.208 1.00 26.93 C ATOM 779 C ASN A 84 6.690 2.341 0.178 1.00 26.65 C ATOM 780 O ASN A 84 6.209 2.584 1.294 1.00 29.57 O ATOM 781 CB ASN A 84 8.585 0.711 -0.019 1.00 28.83 C ATOM 782 CG ASN A 84 8.993 0.738 1.442 1.00 30.98 C ATOM 783 OD1 ASN A 84 9.879 1.495 1.842 1.00 36.34 O ATOM 784 ND2 ASN A 84 8.328 -0.073 2.250 1.00 28.21 N ATOM 785 HD22 ASN A 84 7.587 -0.695 1.868 1.00 0.00 H ATOM 786 HD21 ASN A 84 8.546 -0.088 3.267 1.00 0.00 H ATOM 787 H ASN A 84 7.446 0.354 -2.272 1.00 0.00 H ATOM 788 N ILE A 85 6.922 3.297 -0.724 1.00 27.44 N ATOM 789 CA ILE A 85 6.543 4.689 -0.489 1.00 25.31 C ATOM 790 C ILE A 85 5.047 4.797 -0.213 1.00 22.88 C ATOM 791 O ILE A 85 4.615 5.509 0.707 1.00 24.13 O ATOM 792 CB ILE A 85 6.972 5.550 -1.697 1.00 25.62 C ATOM 793 CG1 ILE A 85 8.492 5.743 -1.699 1.00 27.06 C ATOM 794 CG2 ILE A 85 6.257 6.898 -1.698 1.00 30.53 C ATOM 795 CD1 ILE A 85 9.045 6.327 -3.010 1.00 30.79 C ATOM 796 H ILE A 85 7.386 3.044 -1.620 1.00 0.00 H ATOM 797 N LEU A 86 4.234 4.065 -0.979 1.00 23.68 N ATOM 798 CA LEU A 86 2.788 4.104 -0.783 1.00 21.97 C ATOM 799 C LEU A 86 2.367 3.332 0.465 1.00 23.20 C ATOM 800 O LEU A 86 1.458 3.769 1.180 1.00 20.98 O ATOM 801 CB LEU A 86 2.077 3.571 -2.025 1.00 24.46 C ATOM 802 CG LEU A 86 2.176 4.552 -3.197 1.00 27.76 C ATOM 803 CD1 LEU A 86 1.889 3.851 -4.495 1.00 25.47 C ATOM 804 CD2 LEU A 86 1.259 5.762 -3.011 1.00 28.35 C ATOM 805 H LEU A 86 4.636 3.460 -1.724 1.00 0.00 H ATOM 806 N LEU A 87 3.012 2.190 0.754 1.00 22.70 N ATOM 807 CA LEU A 87 2.745 1.491 2.017 1.00 19.52 C ATOM 808 C LEU A 87 3.040 2.392 3.210 1.00 22.47 C ATOM 809 O LEU A 87 2.258 2.458 4.166 1.00 21.98 O ATOM 810 CB LEU A 87 3.568 0.199 2.111 1.00 21.13 C ATOM 811 CG LEU A 87 3.465 -0.713 3.354 1.00 21.02 C ATOM 812 CD1 LEU A 87 2.123 -1.316 3.569 1.00 23.74 C ATOM 813 CD2 LEU A 87 4.457 -1.856 3.271 1.00 21.27 C ATOM 814 H LEU A 87 3.702 1.800 0.081 1.00 0.00 H ATOM 815 N ASP A 88 4.170 3.098 3.165 1.00 26.31 N ATOM 816 CA ASP A 88 4.482 4.065 4.210 1.00 25.78 C ATOM 817 C ASP A 88 3.400 5.132 4.314 1.00 24.11 C ATOM 818 O ASP A 88 2.980 5.496 5.421 1.00 19.78 O ATOM 819 CB ASP A 88 5.842 4.705 3.941 1.00 27.15 C ATOM 820 CG ASP A 88 6.992 3.899 4.512 1.00 34.50 C ATOM 821 OD1 ASP A 88 6.734 2.865 5.170 1.00 33.12 O ATOM 822 OD2 ASP A 88 8.156 4.302 4.300 1.00 39.18 O ATOM 823 H ASP A 88 4.835 2.958 2.377 1.00 0.00 H ATOM 824 N PHE A 89 2.923 5.636 3.173 1.00 21.33 N ATOM 825 CA PHE A 89 1.901 6.677 3.211 1.00 22.90 C ATOM 826 C PHE A 89 0.628 6.175 3.886 1.00 23.31 C ATOM 827 O PHE A 89 0.005 6.903 4.668 1.00 24.91 O ATOM 828 CB PHE A 89 1.589 7.182 1.802 1.00 24.43 C ATOM 829 CG PHE A 89 0.256 7.869 1.702 1.00 21.82 C ATOM 830 CD1 PHE A 89 0.117 9.184 2.117 1.00 25.47 C ATOM 831 CD2 PHE A 89 -0.855 7.205 1.208 1.00 26.53 C ATOM 832 CE1 PHE A 89 -1.105 9.816 2.056 1.00 24.75 C ATOM 833 CE2 PHE A 89 -2.080 7.837 1.137 1.00 25.55 C ATOM 834 CZ PHE A 89 -2.205 9.143 1.561 1.00 25.50 C ATOM 835 H PHE A 89 3.279 5.288 2.260 1.00 0.00 H ATOM 836 N MET A 90 0.233 4.956 3.613 1.00 21.20 N ATOM 837 CA MET A 90 -0.959 4.444 4.211 1.00 20.43 C ATOM 838 C MET A 90 -0.915 4.502 5.752 1.00 21.02 C ATOM 839 O MET A 90 -1.892 4.762 6.347 1.00 19.35 O ATOM 840 CB MET A 90 -1.223 2.989 3.763 1.00 17.48 C ATOM 841 CG MET A 90 -1.423 2.724 2.265 1.00 18.71 C ATOM 842 SD MET A 90 -1.730 0.968 2.050 1.00 23.31 S ATOM 843 CE MET A 90 -1.447 0.784 0.265 1.00 25.23 C ATOM 844 H MET A 90 0.786 4.362 2.962 1.00 0.00 H ATOM 845 N TYR A 91 0.249 4.191 6.302 1.00 19.71 N ATOM 846 CA TYR A 91 0.437 4.120 7.746 1.00 20.61 C ATOM 847 C TYR A 91 0.904 5.433 8.363 1.00 24.27 C ATOM 848 O TYR A 91 0.954 5.530 9.598 1.00 24.14 O ATOM 849 CB TYR A 91 1.453 3.014 8.080 1.00 20.21 C ATOM 850 CG TYR A 91 0.898 1.598 8.099 1.00 16.74 C ATOM 851 CD1 TYR A 91 0.887 0.795 6.950 1.00 17.47 C ATOM 852 CD2 TYR A 91 0.421 1.048 9.280 1.00 21.49 C ATOM 853 CE1 TYR A 91 0.385 -0.509 6.994 1.00 16.09 C ATOM 854 CE2 TYR A 91 -0.071 -0.236 9.328 1.00 21.12 C ATOM 855 CZ TYR A 91 -0.089 -1.015 8.200 1.00 20.10 C ATOM 856 OH TYR A 91 -0.590 -2.301 8.296 1.00 19.63 O ATOM 857 HH TYR A 91 -0.054 -2.815 8.951 1.00 0.00 H ATOM 858 H TYR A 91 1.059 3.990 5.681 1.00 0.00 H ATOM 859 N THR A 92 1.250 6.447 7.555 1.00 20.78 N ATOM 860 CA THR A 92 1.775 7.693 8.111 1.00 23.40 C ATOM 861 C THR A 92 1.076 8.963 7.660 1.00 23.34 C ATOM 862 O THR A 92 1.297 10.002 8.296 1.00 23.32 O ATOM 863 CB THR A 92 3.274 7.861 7.802 1.00 23.15 C ATOM 864 OG1 THR A 92 3.470 8.051 6.391 1.00 22.36 O ATOM 865 CG2 THR A 92 4.083 6.670 8.302 1.00 21.30 C ATOM 866 HG1 THR A 92 4.436 8.158 6.205 1.00 0.00 H ATOM 867 H THR A 92 1.144 6.346 6.525 1.00 0.00 H ATOM 868 N SER A 93 0.280 8.939 6.586 1.00 23.32 N ATOM 869 CA SER A 93 -0.343 10.129 6.007 1.00 25.18 C ATOM 870 C SER A 93 0.674 11.035 5.324 1.00 25.50 C ATOM 871 O SER A 93 0.347 12.179 4.993 1.00 24.54 O ATOM 872 CB SER A 93 -1.113 10.956 7.053 1.00 22.71 C ATOM 873 OG SER A 93 -2.212 10.251 7.603 1.00 26.54 O ATOM 874 HG SER A 93 -2.671 10.824 8.267 1.00 0.00 H ATOM 875 H SER A 93 0.093 8.020 6.136 1.00 0.00 H ATOM 876 N ARG A 94 1.908 10.578 5.212 1.00 24.91 N ATOM 877 CA ARG A 94 2.968 11.337 4.587 1.00 28.35 C ATOM 878 C ARG A 94 3.495 10.663 3.287 1.00 30.04 C ATOM 879 O ARG A 94 3.831 9.532 3.291 1.00 25.91 O ATOM 880 CB ARG A 94 4.099 11.634 5.532 1.00 28.51 C ATOM 881 CG ARG A 94 3.716 12.428 6.763 1.00 31.55 C ATOM 882 CD ARG A 94 4.844 12.464 7.775 1.00 34.84 C ATOM 883 H ARG A 94 2.126 9.634 5.589 1.00 0.00 H ATOM 884 N LEU A 95 3.570 11.427 2.213 1.00 28.99 N ATOM 885 CA LEU A 95 3.899 10.892 0.899 1.00 32.71 C ATOM 886 C LEU A 95 5.235 11.469 0.456 1.00 40.67 C ATOM 887 O LEU A 95 5.398 12.694 0.402 1.00 43.44 O ATOM 888 CB LEU A 95 2.800 11.231 -0.108 1.00 29.33 C ATOM 889 CG LEU A 95 3.000 10.709 -1.531 1.00 27.58 C ATOM 890 CD1 LEU A 95 2.887 9.205 -1.531 1.00 25.72 C ATOM 891 CD2 LEU A 95 1.966 11.321 -2.453 1.00 31.38 C ATOM 892 H LEU A 95 3.388 12.446 2.309 1.00 0.00 H ATOM 893 N ASN A 96 6.181 10.590 0.125 1.00 41.23 N ATOM 894 CA ASN A 96 7.545 10.996 -0.204 1.00 42.68 C ATOM 895 C ASN A 96 7.667 11.093 -1.722 1.00 42.00 C ATOM 896 O ASN A 96 8.144 10.183 -2.398 1.00 40.93 O ATOM 897 CB ASN A 96 8.553 10.018 0.401 1.00 48.37 C ATOM 898 CG ASN A 96 9.995 10.397 0.107 1.00 54.89 C ATOM 899 OD1 ASN A 96 10.880 9.541 0.089 1.00 56.48 O ATOM 900 ND2 ASN A 96 10.238 11.682 -0.131 1.00 57.56 N ATOM 901 HD22 ASN A 96 9.460 12.372 -0.106 1.00 0.00 H ATOM 902 HD21 ASN A 96 11.206 11.998 -0.343 1.00 0.00 H ATOM 903 H ASN A 96 5.939 9.579 0.100 1.00 0.00 H ATOM 904 N LEU A 97 7.227 12.232 -2.255 1.00 42.89 N ATOM 905 CA LEU A 97 7.316 12.509 -3.684 1.00 45.99 C ATOM 906 C LEU A 97 8.603 13.270 -3.983 1.00 47.40 C ATOM 907 O LEU A 97 8.808 14.380 -3.478 1.00 47.26 O ATOM 908 CB LEU A 97 6.111 13.314 -4.173 1.00 47.10 C ATOM 909 CG LEU A 97 4.772 12.620 -4.433 1.00 44.00 C ATOM 910 CD1 LEU A 97 3.807 13.570 -5.157 1.00 39.69 C ATOM 911 CD2 LEU A 97 4.956 11.319 -5.205 1.00 44.26 C ATOM 912 H LEU A 97 6.805 12.949 -1.630 1.00 0.00 H ATOM 913 N ARG A 98 9.433 12.706 -4.846 1.00 50.04 N ATOM 914 CA ARG A 98 10.673 13.316 -5.362 1.00 52.22 C ATOM 915 C ARG A 98 10.665 13.063 -6.893 1.00 52.43 C ATOM 916 O ARG A 98 10.203 12.053 -7.330 1.00 50.04 O ATOM 917 CB ARG A 98 11.909 12.696 -4.758 1.00 55.79 C ATOM 918 CG ARG A 98 12.094 12.940 -3.279 1.00 60.06 C ATOM 919 CD ARG A 98 13.524 12.765 -2.859 1.00 64.76 C ATOM 920 NE ARG A 98 13.770 11.406 -2.426 1.00 65.24 N ATOM 921 CZ ARG A 98 13.464 10.960 -1.227 1.00 66.04 C ATOM 922 NH1 ARG A 98 12.901 11.801 -0.359 1.00 66.92 N ATOM 923 NH2 ARG A 98 13.731 9.687 -0.920 1.00 64.91 N ATOM 924 HE ARG A 98 14.212 10.747 -3.098 1.00 0.00 H ATOM 925 HH12 ARG A 98 12.650 11.472 0.595 1.00 0.00 H ATOM 926 HH11 ARG A 98 12.713 12.786 -0.636 1.00 0.00 H ATOM 927 HH22 ARG A 98 13.495 9.319 0.024 1.00 0.00 H ATOM 928 HH21 ARG A 98 14.175 9.064 -1.625 1.00 0.00 H ATOM 929 H ARG A 98 9.191 11.754 -5.189 1.00 0.00 H ATOM 930 N VAL A 99 11.122 14.002 -7.715 1.00 55.64 N ATOM 931 CA VAL A 99 11.091 13.765 -9.151 1.00 58.25 C ATOM 932 C VAL A 99 11.914 12.540 -9.525 1.00 55.26 C ATOM 933 O VAL A 99 11.766 12.018 -10.633 1.00 55.03 O ATOM 934 CB VAL A 99 11.557 15.005 -9.933 1.00 68.24 C ATOM 935 CG1 VAL A 99 10.504 16.112 -9.854 1.00 76.33 C ATOM 936 CG2 VAL A 99 12.901 15.487 -9.420 1.00 67.79 C ATOM 937 H VAL A 99 11.497 14.895 -7.337 1.00 0.00 H ATOM 938 N GLY A 100 12.770 12.052 -8.624 1.00 54.92 N ATOM 939 CA GLY A 100 13.464 10.800 -8.873 1.00 56.05 C ATOM 940 C GLY A 100 12.602 9.564 -8.689 1.00 55.87 C ATOM 941 O GLY A 100 13.001 8.475 -9.118 1.00 57.11 O ATOM 942 H GLY A 100 12.941 12.571 -7.739 1.00 0.00 H ATOM 943 N ASN A 101 11.426 9.705 -8.065 1.00 51.55 N ATOM 944 CA ASN A 101 10.550 8.565 -7.832 1.00 45.82 C ATOM 945 C ASN A 101 9.101 8.776 -8.258 1.00 41.76 C ATOM 946 O ASN A 101 8.295 7.853 -8.102 1.00 41.32 O ATOM 947 CB ASN A 101 10.587 8.146 -6.344 1.00 45.80 C ATOM 948 CG ASN A 101 9.945 9.173 -5.399 1.00 46.38 C ATOM 949 OD1 ASN A 101 8.968 9.841 -5.734 1.00 47.65 O ATOM 950 ND2 ASN A 101 10.504 9.284 -4.196 1.00 45.36 N ATOM 951 HD22 ASN A 101 11.330 8.701 -3.950 1.00 0.00 H ATOM 952 HD21 ASN A 101 10.115 9.954 -3.502 1.00 0.00 H ATOM 953 H ASN A 101 11.132 10.648 -7.740 1.00 0.00 H ATOM 954 N ILE A 102 8.745 9.946 -8.793 1.00 43.07 N ATOM 955 CA ILE A 102 7.331 10.288 -8.931 1.00 43.38 C ATOM 956 C ILE A 102 6.637 9.354 -9.915 1.00 44.12 C ATOM 957 O ILE A 102 5.531 8.863 -9.652 1.00 43.59 O ATOM 958 CB ILE A 102 7.162 11.760 -9.344 1.00 48.53 C ATOM 959 CG1 ILE A 102 5.682 12.037 -9.594 1.00 51.02 C ATOM 960 CG2 ILE A 102 8.019 12.107 -10.566 1.00 48.70 C ATOM 961 CD1 ILE A 102 5.384 13.438 -9.981 1.00 52.58 C ATOM 962 H ILE A 102 9.475 10.615 -9.112 1.00 0.00 H ATOM 963 N MET A 103 7.271 9.106 -11.066 1.00 43.26 N ATOM 964 CA MET A 103 6.670 8.262 -12.093 1.00 42.42 C ATOM 965 C MET A 103 6.308 6.894 -11.535 1.00 38.01 C ATOM 966 O MET A 103 5.191 6.403 -11.737 1.00 33.01 O ATOM 967 CB MET A 103 7.627 8.116 -13.279 1.00 45.71 C ATOM 968 CG MET A 103 7.798 9.353 -14.169 1.00 48.81 C ATOM 969 SD MET A 103 6.474 10.579 -14.082 1.00 48.55 S ATOM 970 CE MET A 103 5.430 10.097 -15.449 1.00 49.82 C ATOM 971 H MET A 103 8.209 9.522 -11.232 1.00 0.00 H ATOM 972 N ALA A 104 7.237 6.275 -10.807 1.00 36.68 N ATOM 973 CA ALA A 104 7.000 4.952 -10.251 1.00 37.23 C ATOM 974 C ALA A 104 5.989 4.995 -9.111 1.00 36.13 C ATOM 975 O ALA A 104 5.246 4.029 -8.908 1.00 34.01 O ATOM 976 CB ALA A 104 8.326 4.350 -9.787 1.00 38.29 C ATOM 977 H ALA A 104 8.148 6.746 -10.633 1.00 0.00 H ATOM 978 N VAL A 105 5.931 6.104 -8.369 1.00 33.96 N ATOM 979 CA VAL A 105 4.909 6.238 -7.336 1.00 35.16 C ATOM 980 C VAL A 105 3.536 6.441 -7.962 1.00 34.74 C ATOM 981 O VAL A 105 2.556 5.808 -7.554 1.00 30.58 O ATOM 982 CB VAL A 105 5.262 7.380 -6.367 1.00 35.63 C ATOM 983 CG1 VAL A 105 4.113 7.619 -5.394 1.00 35.37 C ATOM 984 CG2 VAL A 105 6.541 7.061 -5.619 1.00 36.12 C ATOM 985 H VAL A 105 6.614 6.872 -8.527 1.00 0.00 H ATOM 986 N MET A 106 3.442 7.310 -8.974 1.00 34.91 N ATOM 987 CA MET A 106 2.146 7.583 -9.590 1.00 30.12 C ATOM 988 C MET A 106 1.574 6.326 -10.233 1.00 32.48 C ATOM 989 O MET A 106 0.413 5.968 -9.998 1.00 31.26 O ATOM 990 CB MET A 106 2.274 8.710 -10.618 1.00 32.17 C ATOM 991 CG MET A 106 0.999 8.931 -11.410 1.00 32.62 C ATOM 992 SD MET A 106 0.814 10.568 -12.176 1.00 47.38 S ATOM 993 CE MET A 106 -0.969 10.654 -12.210 1.00 47.46 C ATOM 994 H MET A 106 4.294 7.793 -9.324 1.00 0.00 H ATOM 995 N ALA A 107 2.389 5.625 -11.028 1.00 32.92 N ATOM 996 CA ALA A 107 1.935 4.395 -11.669 1.00 33.96 C ATOM 997 C ALA A 107 1.505 3.353 -10.642 1.00 30.62 C ATOM 998 O ALA A 107 0.535 2.618 -10.865 1.00 27.14 O ATOM 999 CB ALA A 107 3.036 3.835 -12.571 1.00 37.11 C ATOM 1000 H ALA A 107 3.360 5.961 -11.192 1.00 0.00 H ATOM 1001 N THR A 108 2.212 3.273 -9.510 1.00 28.73 N ATOM 1002 CA THR A 108 1.834 2.315 -8.475 1.00 25.89 C ATOM 1003 C THR A 108 0.523 2.714 -7.807 1.00 29.08 C ATOM 1004 O THR A 108 -0.334 1.858 -7.549 1.00 28.56 O ATOM 1005 CB THR A 108 2.955 2.186 -7.442 1.00 28.07 C ATOM 1006 OG1 THR A 108 4.204 1.996 -8.121 1.00 35.60 O ATOM 1007 CG2 THR A 108 2.693 0.991 -6.490 1.00 26.86 C ATOM 1008 HG1 THR A 108 4.381 2.773 -8.708 1.00 0.00 H ATOM 1009 H THR A 108 3.033 3.895 -9.366 1.00 0.00 H ATOM 1010 N ALA A 109 0.341 4.010 -7.530 1.00 25.94 N ATOM 1011 CA ALA A 109 -0.907 4.470 -6.927 1.00 27.06 C ATOM 1012 C ALA A 109 -2.099 4.233 -7.851 1.00 25.73 C ATOM 1013 O ALA A 109 -3.209 3.973 -7.367 1.00 27.24 O ATOM 1014 CB ALA A 109 -0.803 5.949 -6.561 1.00 28.21 C ATOM 1015 H ALA A 109 1.093 4.695 -7.746 1.00 0.00 H ATOM 1016 N MET A 110 -1.897 4.326 -9.169 1.00 26.27 N ATOM 1017 CA MET A 110 -2.958 3.960 -10.107 1.00 26.61 C ATOM 1018 C MET A 110 -3.323 2.487 -9.965 1.00 25.37 C ATOM 1019 O MET A 110 -4.504 2.137 -9.863 1.00 31.30 O ATOM 1020 CB MET A 110 -2.541 4.276 -11.547 1.00 31.36 C ATOM 1021 CG MET A 110 -2.094 5.717 -11.765 1.00 31.72 C ATOM 1022 SD MET A 110 -1.707 6.041 -13.489 1.00 34.90 S ATOM 1023 CE MET A 110 -3.123 5.294 -14.295 1.00 33.07 C ATOM 1024 H MET A 110 -0.981 4.660 -9.529 1.00 0.00 H ATOM 1025 N TYR A 111 -2.316 1.610 -9.941 1.00 27.96 N ATOM 1026 CA TYR A 111 -2.569 0.180 -9.786 1.00 24.71 C ATOM 1027 C TYR A 111 -3.280 -0.125 -8.467 1.00 22.90 C ATOM 1028 O TYR A 111 -4.170 -0.983 -8.415 1.00 26.21 O ATOM 1029 CB TYR A 111 -1.244 -0.579 -9.884 1.00 26.87 C ATOM 1030 CG TYR A 111 -1.295 -2.055 -9.549 1.00 23.85 C ATOM 1031 CD1 TYR A 111 -1.948 -2.961 -10.378 1.00 27.40 C ATOM 1032 CD2 TYR A 111 -0.649 -2.550 -8.425 1.00 26.82 C ATOM 1033 CE1 TYR A 111 -1.973 -4.312 -10.084 1.00 25.02 C ATOM 1034 CE2 TYR A 111 -0.670 -3.895 -8.122 1.00 26.11 C ATOM 1035 CZ TYR A 111 -1.333 -4.771 -8.948 1.00 28.71 C ATOM 1036 OH TYR A 111 -1.348 -6.108 -8.637 1.00 27.49 O ATOM 1037 HH TYR A 111 -1.863 -6.600 -9.325 1.00 0.00 H ATOM 1038 H TYR A 111 -1.338 1.950 -10.034 1.00 0.00 H ATOM 1039 N LEU A 112 -2.905 0.571 -7.393 1.00 22.35 N ATOM 1040 CA LEU A 112 -3.484 0.333 -6.075 1.00 25.51 C ATOM 1041 C LEU A 112 -4.826 1.031 -5.872 1.00 26.14 C ATOM 1042 O LEU A 112 -5.441 0.858 -4.811 1.00 24.77 O ATOM 1043 CB LEU A 112 -2.492 0.778 -4.999 1.00 26.95 C ATOM 1044 CG LEU A 112 -1.185 -0.021 -4.992 1.00 26.29 C ATOM 1045 CD1 LEU A 112 -0.255 0.461 -3.882 1.00 26.71 C ATOM 1046 CD2 LEU A 112 -1.471 -1.515 -4.829 1.00 24.12 C ATOM 1047 H LEU A 112 -2.177 1.306 -7.498 1.00 0.00 H ATOM 1048 N GLN A 113 -5.294 1.799 -6.859 1.00 26.57 N ATOM 1049 CA GLN A 113 -6.544 2.556 -6.775 1.00 28.49 C ATOM 1050 C GLN A 113 -6.548 3.451 -5.534 1.00 29.30 C ATOM 1051 O GLN A 113 -7.368 3.310 -4.624 1.00 28.12 O ATOM 1052 CB GLN A 113 -7.762 1.627 -6.797 1.00 27.92 C ATOM 1053 CG GLN A 113 -7.779 0.640 -7.948 1.00 31.55 C ATOM 1054 CD GLN A 113 -8.909 -0.366 -7.830 1.00 33.83 C ATOM 1055 OE1 GLN A 113 -9.974 -0.063 -7.287 1.00 36.61 O ATOM 1056 NE2 GLN A 113 -8.677 -1.576 -8.327 1.00 33.32 N ATOM 1057 HE22 GLN A 113 -7.763 -1.787 -8.777 1.00 0.00 H ATOM 1058 HE21 GLN A 113 -9.409 -2.312 -8.266 1.00 0.00 H ATOM 1059 H GLN A 113 -4.739 1.863 -7.736 1.00 0.00 H ATOM 1060 N MET A 114 -5.619 4.391 -5.493 1.00 29.42 N ATOM 1061 CA MET A 114 -5.476 5.411 -4.455 1.00 27.55 C ATOM 1062 C MET A 114 -5.572 6.758 -5.202 1.00 31.86 C ATOM 1063 O MET A 114 -4.616 7.384 -5.433 1.00 33.40 O ATOM 1064 CB MET A 114 -4.137 5.277 -3.798 1.00 26.35 C ATOM 1065 CG MET A 114 -3.998 3.987 -3.042 1.00 27.82 C ATOM 1066 SD MET A 114 -2.345 3.549 -2.531 1.00 29.89 S ATOM 1067 CE MET A 114 -2.167 4.692 -1.181 1.00 27.03 C ATOM 1068 H MET A 114 -4.927 4.406 -6.269 1.00 0.00 H ATOM 1069 N GLU A 115 -6.777 7.108 -5.541 1.00 37.61 N ATOM 1070 CA GLU A 115 -7.071 8.294 -6.328 1.00 44.43 C ATOM 1071 C GLU A 115 -6.597 9.605 -5.728 1.00 43.95 C ATOM 1072 O GLU A 115 -6.142 10.469 -6.406 1.00 42.48 O ATOM 1073 CB GLU A 115 -8.535 8.286 -6.768 1.00 50.78 C ATOM 1074 CG GLU A 115 -9.568 8.020 -5.681 1.00 54.29 C ATOM 1075 CD GLU A 115 -10.350 6.723 -5.877 1.00 55.51 C ATOM 1076 OE1 GLU A 115 -9.807 5.797 -6.495 1.00 54.63 O ATOM 1077 OE2 GLU A 115 -11.483 6.653 -5.405 1.00 55.89 O ATOM 1078 H GLU A 115 -7.570 6.510 -5.234 1.00 0.00 H ATOM 1079 N HIS A 116 -6.699 9.733 -4.432 1.00 43.09 N ATOM 1080 CA HIS A 116 -6.180 10.912 -3.744 1.00 47.24 C ATOM 1081 C HIS A 116 -4.699 11.091 -4.043 1.00 38.78 C ATOM 1082 O HIS A 116 -4.236 12.199 -4.339 1.00 36.51 O ATOM 1083 CB HIS A 116 -6.395 10.795 -2.233 1.00 57.76 C ATOM 1084 CG HIS A 116 -7.806 11.028 -1.789 1.00 67.08 C ATOM 1085 ND1 HIS A 116 -8.898 10.692 -2.558 1.00 69.65 N ATOM 1086 CD2 HIS A 116 -8.300 11.555 -0.643 1.00 69.06 C ATOM 1087 CE1 HIS A 116 -10.005 11.006 -1.908 1.00 70.64 C ATOM 1088 NE2 HIS A 116 -9.670 11.532 -0.743 1.00 69.81 N ATOM 1089 H HIS A 116 -7.159 8.981 -3.880 1.00 0.00 H ATOM 1090 N VAL A 117 -3.942 9.994 -3.978 1.00 33.18 N ATOM 1091 CA VAL A 117 -2.511 10.053 -4.250 1.00 30.76 C ATOM 1092 C VAL A 117 -2.259 10.332 -5.726 1.00 31.27 C ATOM 1093 O VAL A 117 -1.420 11.170 -6.073 1.00 34.32 O ATOM 1094 CB VAL A 117 -1.827 8.757 -3.791 1.00 31.88 C ATOM 1095 CG1 VAL A 117 -0.379 8.735 -4.234 1.00 31.59 C ATOM 1096 CG2 VAL A 117 -1.920 8.640 -2.269 1.00 24.15 C ATOM 1097 H VAL A 117 -4.379 9.084 -3.730 1.00 0.00 H ATOM 1098 N VAL A 118 -3.021 9.666 -6.583 1.00 29.74 N ATOM 1099 CA VAL A 118 -2.861 9.935 -8.041 1.00 30.71 C ATOM 1100 C VAL A 118 -3.140 11.412 -8.337 1.00 35.30 C ATOM 1101 O VAL A 118 -2.402 12.053 -9.013 1.00 34.03 O ATOM 1102 CB VAL A 118 -3.710 9.043 -8.976 1.00 31.92 C ATOM 1103 CG1 VAL A 118 -3.482 9.468 -10.409 1.00 36.87 C ATOM 1104 CG2 VAL A 118 -3.302 7.590 -8.827 1.00 31.31 C ATOM 1105 H VAL A 118 -3.716 8.970 -6.245 1.00 0.00 H ATOM 1106 N ASP A 119 -4.206 11.918 -7.757 1.00 36.50 N ATOM 1107 CA ASP A 119 -4.538 13.325 -7.963 1.00 44.04 C ATOM 1108 C ASP A 119 -3.417 14.236 -7.477 1.00 44.75 C ATOM 1109 O ASP A 119 -3.141 15.273 -8.091 1.00 44.43 O ATOM 1110 CB ASP A 119 -5.849 13.660 -7.252 1.00 49.10 C ATOM 1111 CG ASP A 119 -6.271 15.099 -7.457 1.00 57.82 C ATOM 1112 OD1 ASP A 119 -6.176 15.588 -8.601 1.00 61.40 O ATOM 1113 OD2 ASP A 119 -6.699 15.742 -6.474 1.00 60.90 O ATOM 1114 H ASP A 119 -4.808 11.320 -7.156 1.00 0.00 H ATOM 1115 N THR A 120 -2.759 13.865 -6.376 1.00 38.00 N ATOM 1116 CA THR A 120 -1.657 14.674 -5.863 1.00 33.39 C ATOM 1117 C THR A 120 -0.440 14.592 -6.779 1.00 39.42 C ATOM 1118 O THR A 120 0.202 15.613 -7.065 1.00 39.88 O ATOM 1119 CB THR A 120 -1.313 14.225 -4.438 1.00 43.75 C ATOM 1120 OG1 THR A 120 -2.335 14.682 -3.545 1.00 44.28 O ATOM 1121 CG2 THR A 120 0.030 14.788 -3.990 1.00 42.96 C ATOM 1122 HG1 THR A 120 -3.205 14.296 -3.816 1.00 0.00 H ATOM 1123 H THR A 120 -3.034 12.993 -5.880 1.00 0.00 H ATOM 1124 N CYS A 121 -0.125 13.387 -7.262 1.00 38.28 N ATOM 1125 CA CYS A 121 0.962 13.203 -8.217 1.00 35.81 C ATOM 1126 C CYS A 121 0.754 14.061 -9.458 1.00 36.95 C ATOM 1127 O CYS A 121 1.713 14.625 -10.003 1.00 38.10 O ATOM 1128 CB CYS A 121 1.041 11.728 -8.601 1.00 33.71 C ATOM 1129 SG CYS A 121 1.629 10.647 -7.273 1.00 32.68 S ATOM 1130 H CYS A 121 -0.669 12.558 -6.949 1.00 0.00 H ATOM 1131 N ARG A 122 -0.499 14.188 -9.901 1.00 40.64 N ATOM 1132 CA ARG A 122 -0.807 15.038 -11.045 1.00 44.50 C ATOM 1133 C ARG A 122 -0.475 16.492 -10.755 1.00 45.02 C ATOM 1134 O ARG A 122 0.038 17.204 -11.624 1.00 44.88 O ATOM 1135 CB ARG A 122 -2.282 14.898 -11.432 1.00 48.03 C ATOM 1136 CG ARG A 122 -2.625 13.599 -12.129 1.00 50.09 C ATOM 1137 CD ARG A 122 -4.094 13.505 -12.529 1.00 55.68 C ATOM 1138 NE ARG A 122 -4.485 14.517 -13.508 1.00 63.33 N ATOM 1139 CZ ARG A 122 -5.301 14.287 -14.533 1.00 66.58 C ATOM 1140 NH1 ARG A 122 -5.803 13.074 -14.722 1.00 66.21 N ATOM 1141 NH2 ARG A 122 -5.611 15.265 -15.374 1.00 70.06 N ATOM 1142 HE ARG A 122 -4.101 15.477 -13.396 1.00 0.00 H ATOM 1143 HH12 ARG A 122 -6.441 12.894 -15.523 1.00 0.00 H ATOM 1144 HH11 ARG A 122 -5.559 12.303 -14.069 1.00 0.00 H ATOM 1145 HH22 ARG A 122 -6.249 15.080 -16.174 1.00 0.00 H ATOM 1146 HH21 ARG A 122 -5.216 16.217 -15.233 1.00 0.00 H ATOM 1147 H ARG A 122 -1.266 13.673 -9.423 1.00 0.00 H ATOM 1148 N LYS A 123 -0.745 16.956 -9.535 1.00 43.88 N ATOM 1149 CA LYS A 123 -0.425 18.344 -9.240 1.00 48.24 C ATOM 1150 C LYS A 123 1.057 18.539 -8.972 1.00 45.98 C ATOM 1151 O LYS A 123 1.583 19.635 -9.195 1.00 44.55 O ATOM 1152 CB LYS A 123 -1.277 18.851 -8.085 1.00 50.14 C ATOM 1153 CG LYS A 123 -2.706 18.386 -8.157 1.00 53.11 C ATOM 1154 CD LYS A 123 -3.608 19.207 -7.253 1.00 54.78 C ATOM 1155 CE LYS A 123 -3.917 18.495 -5.959 1.00 56.30 C ATOM 1156 NZ LYS A 123 -5.182 19.037 -5.389 1.00 60.55 N ATOM 1157 HZ1 LYS A 123 -5.071 20.055 -5.209 1.00 0.00 H ATOM 1158 HZ2 LYS A 123 -5.958 18.885 -6.064 1.00 0.00 H ATOM 1159 HZ3 LYS A 123 -5.397 18.547 -4.497 1.00 0.00 H ATOM 1160 H LYS A 123 -1.173 16.342 -8.813 1.00 0.00 H ATOM 1161 N PHE A 124 1.747 17.497 -8.517 1.00 44.35 N ATOM 1162 CA PHE A 124 3.200 17.574 -8.422 1.00 46.22 C ATOM 1163 C PHE A 124 3.822 17.776 -9.795 1.00 48.25 C ATOM 1164 O PHE A 124 4.752 18.574 -9.954 1.00 50.52 O ATOM 1165 CB PHE A 124 3.754 16.311 -7.766 1.00 43.15 C ATOM 1166 CG PHE A 124 5.195 16.417 -7.363 1.00 46.46 C ATOM 1167 CD1 PHE A 124 6.210 16.151 -8.270 1.00 47.77 C ATOM 1168 CD2 PHE A 124 5.536 16.790 -6.074 1.00 46.04 C ATOM 1169 CE1 PHE A 124 7.531 16.242 -7.894 1.00 50.16 C ATOM 1170 CE2 PHE A 124 6.858 16.886 -5.699 1.00 47.06 C ATOM 1171 CZ PHE A 124 7.855 16.611 -6.607 1.00 49.89 C ATOM 1172 H PHE A 124 1.251 16.629 -8.230 1.00 0.00 H ATOM 1173 N ILE A 125 3.312 17.060 -10.798 1.00 42.95 N ATOM 1174 CA ILE A 125 3.789 17.234 -12.167 1.00 45.62 C ATOM 1175 C ILE A 125 3.487 18.645 -12.655 1.00 47.49 C ATOM 1176 O ILE A 125 4.348 19.324 -13.230 1.00 50.84 O ATOM 1177 CB ILE A 125 3.161 16.172 -13.087 1.00 44.06 C ATOM 1178 CG1 ILE A 125 3.620 14.768 -12.688 1.00 41.92 C ATOM 1179 CG2 ILE A 125 3.503 16.455 -14.556 1.00 46.36 C ATOM 1180 CD1 ILE A 125 2.918 13.646 -13.446 1.00 41.90 C ATOM 1181 H ILE A 125 2.562 16.366 -10.602 1.00 0.00 H ATOM 1182 N LYS A 126 2.288 19.108 -12.433 1.00 47.40 N ATOM 1183 CA LYS A 126 1.880 20.423 -12.845 1.00 49.88 C ATOM 1184 C LYS A 126 2.646 21.546 -12.153 1.00 52.81 C ATOM 1185 O LYS A 126 3.087 22.505 -12.774 1.00 54.35 O ATOM 1186 CB LYS A 126 0.415 20.577 -12.641 1.00 49.40 C ATOM 1187 CG LYS A 126 -0.088 21.936 -12.939 1.00 59.61 C ATOM 1188 CD LYS A 126 -1.583 21.922 -12.964 1.00 65.97 C ATOM 1189 CE LYS A 126 -2.159 23.299 -13.206 1.00 79.72 C ATOM 1190 NZ LYS A 126 -1.200 24.249 -13.835 1.00 86.60 N ATOM 1191 HZ1 LYS A 126 -0.372 24.364 -13.216 1.00 0.00 H ATOM 1192 HZ2 LYS A 126 -0.896 23.874 -14.756 1.00 0.00 H ATOM 1193 HZ3 LYS A 126 -1.664 25.170 -13.970 1.00 0.00 H ATOM 1194 H LYS A 126 1.601 18.503 -11.939 1.00 0.00 H ATOM 1195 N ALA A 127 2.818 21.406 -10.856 1.00 50.13 N ATOM 1196 CA ALA A 127 3.640 22.362 -10.124 1.00 51.14 C ATOM 1197 C ALA A 127 5.122 22.233 -10.453 1.00 56.64 C ATOM 1198 O ALA A 127 5.904 23.098 -10.045 1.00 60.15 O ATOM 1199 CB ALA A 127 3.428 22.201 -8.617 1.00 56.19 C ATOM 1200 H ALA A 127 2.368 20.614 -10.354 1.00 0.00 H ATOM 1201 N SER A 128 5.517 21.176 -11.159 1.00 56.16 N ATOM 1202 CA SER A 128 6.868 21.025 -11.694 1.00 65.51 C ATOM 1203 C SER A 128 7.940 21.129 -10.615 1.00 71.88 C ATOM 1204 O SER A 128 8.309 20.130 -9.998 1.00 73.96 O ATOM 1205 CB SER A 128 7.122 22.068 -12.786 1.00 69.84 C ATOM 1206 OG SER A 128 8.195 21.681 -13.626 1.00 71.49 O ATOM 1207 HG SER A 128 8.335 22.373 -14.320 1.00 0.00 H ATOM 1208 H SER A 128 4.828 20.418 -11.339 1.00 0.00 H TER 1209 SER A 128 ATOM 1210 N ASP B 6 9.145 14.044 7.434 1.00 54.20 N ATOM 1211 CA ASP B 6 9.961 15.220 7.692 1.00 57.42 C ATOM 1212 C ASP B 6 9.565 16.247 6.661 1.00 58.09 C ATOM 1213 O ASP B 6 8.709 17.072 6.897 1.00 56.03 O ATOM 1214 CB ASP B 6 11.437 14.903 7.554 1.00 58.82 C ATOM 1215 HN3 ASP B 6 9.332 13.698 6.471 1.00 0.00 H ATOM 1216 HN2 ASP B 6 8.140 14.295 7.524 1.00 0.00 H ATOM 1217 HN1 ASP B 6 9.381 13.302 8.123 1.00 0.00 H ATOM 1218 N SER B 7 10.203 16.160 5.500 1.00 59.28 N ATOM 1219 CA SER B 7 9.840 17.046 4.403 1.00 58.23 C ATOM 1220 C SER B 7 8.883 16.379 3.418 1.00 54.07 C ATOM 1221 O SER B 7 8.842 16.747 2.243 1.00 50.82 O ATOM 1222 CB SER B 7 11.094 17.541 3.681 1.00 63.16 C ATOM 1223 OG SER B 7 11.782 16.475 3.050 1.00 63.95 O ATOM 1224 HG SER B 7 11.186 16.046 2.387 1.00 0.00 H ATOM 1225 H SER B 7 10.961 15.460 5.374 1.00 0.00 H ATOM 1226 N GLN B 8 8.104 15.405 3.880 1.00 48.48 N ATOM 1227 CA GLN B 8 7.145 14.752 3.003 1.00 42.18 C ATOM 1228 C GLN B 8 5.857 15.573 2.919 1.00 38.48 C ATOM 1229 O GLN B 8 5.636 16.516 3.682 1.00 40.02 O ATOM 1230 CB GLN B 8 6.860 13.329 3.485 1.00 41.27 C ATOM 1231 CG GLN B 8 8.087 12.429 3.459 1.00 42.61 C ATOM 1232 CD GLN B 8 7.760 10.966 3.685 1.00 44.86 C ATOM 1233 OE1 GLN B 8 6.592 10.577 3.741 1.00 43.99 O ATOM 1234 NE2 GLN B 8 8.796 10.142 3.807 1.00 47.48 N ATOM 1235 HE22 GLN B 8 9.766 10.514 3.753 1.00 0.00 H ATOM 1236 HE21 GLN B 8 8.637 9.125 3.956 1.00 0.00 H ATOM 1237 H GLN B 8 8.181 15.109 4.874 1.00 0.00 H ATOM 1238 N ILE B 9 4.999 15.218 1.979 1.00 35.31 N ATOM 1239 CA ILE B 9 3.765 15.903 1.752 1.00 33.60 C ATOM 1240 C ILE B 9 2.731 15.369 2.690 1.00 35.08 C ATOM 1241 O ILE B 9 2.548 14.210 2.758 1.00 33.98 O ATOM 1242 CB ILE B 9 3.272 15.722 0.301 1.00 45.71 C ATOM 1243 CG1 ILE B 9 4.222 16.385 -0.656 1.00 35.07 C ATOM 1244 CG2 ILE B 9 1.899 16.296 0.126 1.00 33.00 C ATOM 1245 CD1 ILE B 9 3.880 16.076 -2.099 1.00 37.97 C ATOM 1246 H ILE B 9 5.232 14.403 1.377 1.00 0.00 H ATOM 1247 N GLN B 10 2.053 16.258 3.398 1.00 39.27 N ATOM 1248 CA GLN B 10 1.094 15.859 4.338 1.00 39.31 C ATOM 1249 C GLN B 10 -0.313 15.774 3.850 1.00 40.12 C ATOM 1250 O GLN B 10 -0.829 16.716 3.330 1.00 40.41 O ATOM 1251 CB GLN B 10 1.174 16.799 5.551 1.00 45.08 C ATOM 1252 CG GLN B 10 0.065 16.622 6.537 1.00 50.23 C ATOM 1253 CD GLN B 10 0.498 15.846 7.750 1.00 55.21 C ATOM 1254 OE1 GLN B 10 0.246 14.652 7.863 1.00 54.27 O ATOM 1255 NE2 GLN B 10 1.140 16.537 8.686 1.00 57.32 N ATOM 1256 HE22 GLN B 10 1.332 17.550 8.545 1.00 0.00 H ATOM 1257 HE21 GLN B 10 1.451 16.065 9.559 1.00 0.00 H ATOM 1258 H GLN B 10 2.236 17.272 3.254 1.00 0.00 H ATOM 1259 N PHE B 11 -0.943 14.643 4.068 1.00 28.78 N ATOM 1260 CA PHE B 11 -2.362 14.468 3.761 1.00 27.98 C ATOM 1261 C PHE B 11 -3.108 14.647 5.079 1.00 33.87 C ATOM 1262 O PHE B 11 -3.171 13.728 5.900 1.00 33.73 O ATOM 1263 CB PHE B 11 -2.633 13.107 3.133 1.00 31.40 C ATOM 1264 CG PHE B 11 -2.217 13.011 1.694 1.00 32.37 C ATOM 1265 CD1 PHE B 11 -3.147 12.724 0.708 1.00 33.14 C ATOM 1266 CD2 PHE B 11 -0.891 13.182 1.327 1.00 34.86 C ATOM 1267 CE1 PHE B 11 -2.766 12.627 -0.619 1.00 34.45 C ATOM 1268 CE2 PHE B 11 -0.506 13.085 0.003 1.00 34.68 C ATOM 1269 CZ PHE B 11 -1.442 12.806 -0.968 1.00 34.34 C ATOM 1270 H PHE B 11 -0.415 13.844 4.473 1.00 0.00 H ATOM 1271 N THR B 12 -3.682 15.838 5.266 1.00 35.49 N ATOM 1272 CA THR B 12 -4.249 16.218 6.555 1.00 32.93 C ATOM 1273 C THR B 12 -5.520 15.450 6.899 1.00 33.17 C ATOM 1274 O THR B 12 -5.910 15.420 8.071 1.00 35.10 O ATOM 1275 CB THR B 12 -4.530 17.721 6.565 1.00 36.38 C ATOM 1276 OG1 THR B 12 -5.610 18.012 5.670 1.00 38.16 O ATOM 1277 CG2 THR B 12 -3.304 18.474 6.094 1.00 37.96 C ATOM 1278 HG1 THR B 12 -5.790 18.985 5.678 1.00 0.00 H ATOM 1279 H THR B 12 -3.726 16.511 4.474 1.00 0.00 H ATOM 1280 N ARG B 13 -6.176 14.839 5.916 1.00 35.36 N ATOM 1281 CA ARG B 13 -7.409 14.096 6.147 1.00 37.98 C ATOM 1282 C ARG B 13 -7.209 12.587 6.126 1.00 34.01 C ATOM 1283 O ARG B 13 -8.168 11.847 6.367 1.00 31.21 O ATOM 1284 CB ARG B 13 -8.464 14.473 5.098 1.00 44.99 C ATOM 1285 CG ARG B 13 -9.132 15.823 5.314 1.00 54.60 C ATOM 1286 CD ARG B 13 -9.584 16.420 3.989 1.00 62.76 C ATOM 1287 NE ARG B 13 -8.645 17.420 3.491 1.00 70.08 N ATOM 1288 CZ ARG B 13 -8.008 17.334 2.327 1.00 73.81 C ATOM 1289 NH1 ARG B 13 -8.208 16.290 1.535 1.00 73.82 N ATOM 1290 NH2 ARG B 13 -7.168 18.292 1.957 1.00 77.21 N ATOM 1291 HE ARG B 13 -8.462 18.254 4.085 1.00 0.00 H ATOM 1292 HH12 ARG B 13 -7.709 16.224 0.625 1.00 0.00 H ATOM 1293 HH11 ARG B 13 -8.864 15.536 1.824 1.00 0.00 H ATOM 1294 HH22 ARG B 13 -6.670 18.224 1.046 1.00 0.00 H ATOM 1295 HH21 ARG B 13 -7.007 19.111 2.578 1.00 0.00 H ATOM 1296 H ARG B 13 -5.796 14.893 4.949 1.00 0.00 H ATOM 1297 N HIS B 14 -5.995 12.114 5.835 1.00 31.11 N ATOM 1298 CA HIS B 14 -5.788 10.686 5.607 1.00 26.93 C ATOM 1299 C HIS B 14 -6.110 9.864 6.853 1.00 26.49 C ATOM 1300 O HIS B 14 -6.811 8.849 6.769 1.00 26.22 O ATOM 1301 CB HIS B 14 -4.352 10.428 5.152 1.00 25.64 C ATOM 1302 CG HIS B 14 -4.035 8.974 4.971 1.00 24.92 C ATOM 1303 ND1 HIS B 14 -4.483 8.247 3.887 1.00 23.59 N ATOM 1304 CD2 HIS B 14 -3.319 8.113 5.731 1.00 24.53 C ATOM 1305 CE1 HIS B 14 -4.059 7.000 3.992 1.00 23.06 C ATOM 1306 NE2 HIS B 14 -3.345 6.893 5.098 1.00 21.99 N ATOM 1307 H HIS B 14 -5.189 12.768 5.770 1.00 0.00 H ATOM 1308 N ALA B 15 -5.610 10.288 8.019 1.00 28.06 N ATOM 1309 CA ALA B 15 -5.794 9.493 9.235 1.00 24.93 C ATOM 1310 C ALA B 15 -7.273 9.335 9.572 1.00 24.56 C ATOM 1311 O ALA B 15 -7.740 8.227 9.861 1.00 23.35 O ATOM 1312 CB ALA B 15 -5.039 10.126 10.405 1.00 29.03 C ATOM 1313 H ALA B 15 -5.088 11.187 8.062 1.00 0.00 H ATOM 1314 N SER B 16 -8.030 10.436 9.516 1.00 24.25 N ATOM 1315 CA SER B 16 -9.467 10.362 9.758 1.00 26.03 C ATOM 1316 C SER B 16 -10.171 9.503 8.708 1.00 25.78 C ATOM 1317 O SER B 16 -11.105 8.760 9.031 1.00 26.27 O ATOM 1318 CB SER B 16 -10.061 11.770 9.800 1.00 34.54 C ATOM 1319 OG SER B 16 -9.803 12.469 8.596 1.00 38.77 O ATOM 1320 HG SER B 16 -8.825 12.542 8.461 1.00 0.00 H ATOM 1321 H SER B 16 -7.591 11.353 9.298 1.00 0.00 H ATOM 1322 N ASP B 17 -9.729 9.581 7.446 1.00 25.40 N ATOM 1323 CA ASP B 17 -10.336 8.761 6.400 1.00 24.95 C ATOM 1324 C ASP B 17 -10.061 7.276 6.631 1.00 25.60 C ATOM 1325 O ASP B 17 -10.933 6.432 6.386 1.00 25.46 O ATOM 1326 CB ASP B 17 -9.828 9.198 5.023 1.00 25.39 C ATOM 1327 CG ASP B 17 -10.447 10.510 4.563 1.00 30.36 C ATOM 1328 OD1 ASP B 17 -11.427 10.967 5.191 1.00 28.89 O ATOM 1329 OD2 ASP B 17 -9.950 11.085 3.573 1.00 29.87 O ATOM 1330 H ASP B 17 -8.950 10.228 7.210 1.00 0.00 H ATOM 1331 N VAL B 18 -8.858 6.940 7.106 1.00 19.66 N ATOM 1332 CA VAL B 18 -8.543 5.551 7.431 1.00 20.34 C ATOM 1333 C VAL B 18 -9.453 5.052 8.548 1.00 20.31 C ATOM 1334 O VAL B 18 -10.066 3.983 8.443 1.00 19.88 O ATOM 1335 CB VAL B 18 -7.057 5.404 7.811 1.00 21.23 C ATOM 1336 CG1 VAL B 18 -6.778 3.992 8.315 1.00 21.96 C ATOM 1337 CG2 VAL B 18 -6.151 5.736 6.629 1.00 19.83 C ATOM 1338 H VAL B 18 -8.137 7.676 7.246 1.00 0.00 H ATOM 1339 N LEU B 19 -9.558 5.827 9.633 1.00 21.54 N ATOM 1340 CA LEU B 19 -10.385 5.415 10.764 1.00 21.96 C ATOM 1341 C LEU B 19 -11.840 5.249 10.351 1.00 22.37 C ATOM 1342 O LEU B 19 -12.515 4.312 10.788 1.00 24.29 O ATOM 1343 CB LEU B 19 -10.267 6.437 11.893 1.00 22.26 C ATOM 1344 CG LEU B 19 -10.603 5.909 13.286 1.00 23.29 C ATOM 1345 CD1 LEU B 19 -9.629 4.811 13.666 1.00 25.54 C ATOM 1346 CD2 LEU B 19 -10.577 7.048 14.299 1.00 23.25 C ATOM 1347 H LEU B 19 -9.046 6.731 9.672 1.00 0.00 H ATOM 1348 N LEU B 20 -12.337 6.149 9.500 1.00 20.52 N ATOM 1349 CA LEU B 20 -13.699 6.020 8.992 1.00 25.32 C ATOM 1350 C LEU B 20 -13.898 4.697 8.259 1.00 19.14 C ATOM 1351 O LEU B 20 -14.919 4.025 8.441 1.00 20.23 O ATOM 1352 CB LEU B 20 -14.028 7.208 8.080 1.00 26.92 C ATOM 1353 CG LEU B 20 -15.302 7.130 7.241 1.00 30.39 C ATOM 1354 CD1 LEU B 20 -16.540 7.156 8.121 1.00 33.80 C ATOM 1355 CD2 LEU B 20 -15.341 8.272 6.235 1.00 32.30 C ATOM 1356 H LEU B 20 -11.748 6.950 9.196 1.00 0.00 H ATOM 1357 N ASN B 21 -12.938 4.300 7.422 1.00 22.08 N ATOM 1358 CA ASN B 21 -13.086 3.032 6.719 1.00 17.92 C ATOM 1359 C ASN B 21 -12.933 1.851 7.669 1.00 17.64 C ATOM 1360 O ASN B 21 -13.599 0.824 7.494 1.00 17.11 O ATOM 1361 CB ASN B 21 -12.074 2.933 5.574 1.00 17.64 C ATOM 1362 CG ASN B 21 -12.503 3.720 4.348 1.00 26.83 C ATOM 1363 OD1 ASN B 21 -13.639 4.182 4.260 1.00 25.45 O ATOM 1364 ND2 ASN B 21 -11.596 3.863 3.391 1.00 23.92 N ATOM 1365 HD22 ASN B 21 -10.647 3.455 3.509 1.00 0.00 H ATOM 1366 HD21 ASN B 21 -11.834 4.383 2.523 1.00 0.00 H ATOM 1367 H ASN B 21 -12.094 4.889 7.273 1.00 0.00 H ATOM 1368 N LEU B 22 -12.077 1.989 8.684 1.00 20.63 N ATOM 1369 CA LEU B 22 -11.942 0.945 9.696 1.00 18.69 C ATOM 1370 C LEU B 22 -13.259 0.730 10.436 1.00 20.18 C ATOM 1371 O LEU B 22 -13.654 -0.416 10.701 1.00 18.22 O ATOM 1372 CB LEU B 22 -10.815 1.327 10.657 1.00 17.58 C ATOM 1373 CG LEU B 22 -9.384 1.131 10.145 1.00 21.50 C ATOM 1374 CD1 LEU B 22 -8.364 1.448 11.221 1.00 20.84 C ATOM 1375 CD2 LEU B 22 -9.155 -0.289 9.600 1.00 22.10 C ATOM 1376 H LEU B 22 -11.499 2.851 8.755 1.00 0.00 H ATOM 1377 N ASN B 23 -13.960 1.826 10.768 1.00 18.95 N ATOM 1378 CA ASN B 23 -15.269 1.717 11.402 1.00 22.40 C ATOM 1379 C ASN B 23 -16.300 1.133 10.445 1.00 21.12 C ATOM 1380 O ASN B 23 -17.192 0.387 10.863 1.00 22.62 O ATOM 1381 CB ASN B 23 -15.727 3.084 11.909 1.00 25.17 C ATOM 1382 CG ASN B 23 -16.737 2.974 13.041 1.00 22.13 C ATOM 1383 OD1 ASN B 23 -16.774 1.975 13.760 1.00 20.88 O ATOM 1384 ND2 ASN B 23 -17.568 3.998 13.195 1.00 26.05 N ATOM 1385 HD22 ASN B 23 -17.500 4.822 12.564 1.00 0.00 H ATOM 1386 HD21 ASN B 23 -18.286 3.976 13.947 1.00 0.00 H ATOM 1387 H ASN B 23 -13.564 2.767 10.570 1.00 0.00 H ATOM 1388 N ARG B 24 -16.210 1.473 9.158 1.00 20.16 N ATOM 1389 CA ARG B 24 -17.116 0.865 8.192 1.00 19.82 C ATOM 1390 C ARG B 24 -16.894 -0.643 8.117 1.00 21.09 C ATOM 1391 O ARG B 24 -17.854 -1.418 8.023 1.00 21.72 O ATOM 1392 CB ARG B 24 -16.927 1.521 6.825 1.00 22.50 C ATOM 1393 CG ARG B 24 -17.475 2.946 6.732 1.00 22.93 C ATOM 1394 CD ARG B 24 -16.950 3.640 5.465 1.00 26.15 C ATOM 1395 NE ARG B 24 -17.714 4.839 5.127 1.00 31.19 N ATOM 1396 CZ ARG B 24 -17.308 5.757 4.254 1.00 32.96 C ATOM 1397 NH1 ARG B 24 -16.137 5.625 3.650 1.00 31.92 N ATOM 1398 NH2 ARG B 24 -18.066 6.813 3.995 1.00 31.19 N ATOM 1399 HE ARG B 24 -18.630 4.983 5.597 1.00 0.00 H ATOM 1400 HH12 ARG B 24 -15.820 6.343 2.968 1.00 0.00 H ATOM 1401 HH11 ARG B 24 -15.534 4.803 3.858 1.00 0.00 H ATOM 1402 HH22 ARG B 24 -17.745 7.528 3.312 1.00 0.00 H ATOM 1403 HH21 ARG B 24 -18.982 6.926 4.475 1.00 0.00 H ATOM 1404 H ARG B 24 -15.500 2.166 8.847 1.00 0.00 H ATOM 1405 N LEU B 25 -15.631 -1.076 8.161 1.00 17.28 N ATOM 1406 CA LEU B 25 -15.333 -2.502 8.149 1.00 18.99 C ATOM 1407 C LEU B 25 -15.883 -3.186 9.392 1.00 20.85 C ATOM 1408 O LEU B 25 -16.403 -4.308 9.314 1.00 21.21 O ATOM 1409 CB LEU B 25 -13.827 -2.723 8.041 1.00 18.12 C ATOM 1410 CG LEU B 25 -13.133 -2.341 6.736 1.00 20.73 C ATOM 1411 CD1 LEU B 25 -11.625 -2.437 6.899 1.00 22.99 C ATOM 1412 CD2 LEU B 25 -13.633 -3.243 5.621 1.00 21.45 C ATOM 1413 H LEU B 25 -14.852 -0.388 8.204 1.00 0.00 H ATOM 1414 N ARG B 26 -15.787 -2.519 10.547 1.00 19.40 N ATOM 1415 CA ARG B 26 -16.376 -3.076 11.763 1.00 19.17 C ATOM 1416 C ARG B 26 -17.887 -3.216 11.619 1.00 18.83 C ATOM 1417 O ARG B 26 -18.460 -4.248 11.989 1.00 19.79 O ATOM 1418 CB ARG B 26 -16.021 -2.210 12.973 1.00 17.68 C ATOM 1419 CG ARG B 26 -16.740 -2.645 14.256 1.00 18.43 C ATOM 1420 CD ARG B 26 -16.208 -1.941 15.507 1.00 24.48 C ATOM 1421 NE ARG B 26 -16.575 -0.530 15.561 1.00 24.69 N ATOM 1422 CZ ARG B 26 -17.434 0.001 16.429 1.00 22.65 C ATOM 1423 NH1 ARG B 26 -18.044 -0.749 17.342 1.00 22.76 N ATOM 1424 NH2 ARG B 26 -17.681 1.300 16.391 1.00 23.73 N ATOM 1425 HE ARG B 26 -16.133 0.109 14.870 1.00 0.00 H ATOM 1426 HH12 ARG B 26 -18.711 -0.314 18.011 1.00 0.00 H ATOM 1427 HH11 ARG B 26 -17.854 -1.770 17.387 1.00 0.00 H ATOM 1428 HH22 ARG B 26 -18.351 1.722 17.066 1.00 0.00 H ATOM 1429 HH21 ARG B 26 -17.206 1.899 15.686 1.00 0.00 H ATOM 1430 H ARG B 26 -15.293 -1.604 10.580 1.00 0.00 H ATOM 1431 N SER B 27 -18.542 -2.205 11.040 1.00 21.74 N ATOM 1432 CA SER B 27 -19.991 -2.228 10.876 1.00 23.34 C ATOM 1433 C SER B 27 -20.460 -3.312 9.913 1.00 23.69 C ATOM 1434 O SER B 27 -21.643 -3.670 9.931 1.00 26.55 O ATOM 1435 CB SER B 27 -20.485 -0.861 10.402 1.00 24.13 C ATOM 1436 OG SER B 27 -20.058 -0.603 9.080 1.00 23.41 O ATOM 1437 HG SER B 27 -19.069 -0.615 9.046 1.00 0.00 H ATOM 1438 H SER B 27 -18.006 -1.382 10.698 1.00 0.00 H ATOM 1439 N ARG B 28 -19.573 -3.836 9.072 1.00 22.41 N ATOM 1440 CA ARG B 28 -19.901 -4.956 8.202 1.00 21.31 C ATOM 1441 C ARG B 28 -19.257 -6.259 8.653 1.00 24.73 C ATOM 1442 O ARG B 28 -19.364 -7.267 7.944 1.00 24.40 O ATOM 1443 CB ARG B 28 -19.487 -4.637 6.766 1.00 21.86 C ATOM 1444 CG ARG B 28 -20.116 -3.353 6.240 1.00 22.93 C ATOM 1445 CD ARG B 28 -19.556 -2.991 4.884 1.00 24.68 C ATOM 1446 NE ARG B 28 -19.934 -3.972 3.877 1.00 29.69 N ATOM 1447 CZ ARG B 28 -19.330 -4.099 2.700 1.00 29.26 C ATOM 1448 NH1 ARG B 28 -18.310 -3.310 2.391 1.00 27.93 N ATOM 1449 NH2 ARG B 28 -19.737 -5.020 1.840 1.00 31.99 N ATOM 1450 HE ARG B 28 -20.725 -4.612 4.092 1.00 0.00 H ATOM 1451 HH12 ARG B 28 -17.837 -3.409 1.470 1.00 0.00 H ATOM 1452 HH11 ARG B 28 -17.983 -2.593 3.069 1.00 0.00 H ATOM 1453 HH22 ARG B 28 -19.263 -5.118 0.920 1.00 0.00 H ATOM 1454 HH21 ARG B 28 -20.531 -5.646 2.085 1.00 0.00 H ATOM 1455 H ARG B 28 -18.615 -3.433 9.035 1.00 0.00 H ATOM 1456 N ASP B 29 -18.599 -6.261 9.816 1.00 20.63 N ATOM 1457 CA ASP B 29 -17.971 -7.456 10.375 1.00 21.66 C ATOM 1458 C ASP B 29 -16.893 -8.029 9.455 1.00 22.26 C ATOM 1459 O ASP B 29 -16.696 -9.246 9.389 1.00 20.91 O ATOM 1460 CB ASP B 29 -19.019 -8.521 10.703 1.00 27.53 C ATOM 1461 CG ASP B 29 -18.580 -9.438 11.825 1.00 33.39 C ATOM 1462 OD1 ASP B 29 -17.962 -8.935 12.790 1.00 30.14 O ATOM 1463 OD2 ASP B 29 -18.855 -10.653 11.744 1.00 41.90 O ATOM 1464 H ASP B 29 -18.531 -5.370 10.348 1.00 0.00 H ATOM 1465 N ILE B 30 -16.171 -7.159 8.758 1.00 22.13 N ATOM 1466 CA ILE B 30 -15.132 -7.587 7.831 1.00 19.55 C ATOM 1467 C ILE B 30 -13.793 -7.580 8.555 1.00 15.92 C ATOM 1468 O ILE B 30 -13.332 -6.532 9.028 1.00 20.43 O ATOM 1469 CB ILE B 30 -15.091 -6.695 6.584 1.00 21.22 C ATOM 1470 CG1 ILE B 30 -16.408 -6.815 5.813 1.00 19.64 C ATOM 1471 CG2 ILE B 30 -13.892 -7.066 5.728 1.00 20.97 C ATOM 1472 CD1 ILE B 30 -16.516 -5.852 4.655 1.00 20.95 C ATOM 1473 H ILE B 30 -16.353 -6.142 8.878 1.00 0.00 H ATOM 1474 N LEU B 31 -13.174 -8.754 8.631 1.00 17.11 N ATOM 1475 CA LEU B 31 -11.894 -9.024 9.282 1.00 17.98 C ATOM 1476 C LEU B 31 -11.857 -8.671 10.760 1.00 17.82 C ATOM 1477 O LEU B 31 -10.764 -8.547 11.326 1.00 19.45 O ATOM 1478 CB LEU B 31 -10.712 -8.352 8.581 1.00 19.21 C ATOM 1479 CG LEU B 31 -10.478 -8.902 7.180 1.00 18.35 C ATOM 1480 CD1 LEU B 31 -9.614 -7.949 6.392 1.00 22.68 C ATOM 1481 CD2 LEU B 31 -9.849 -10.284 7.322 1.00 21.21 C ATOM 1482 H LEU B 31 -13.649 -9.563 8.181 1.00 0.00 H ATOM 1483 N THR B 32 -13.009 -8.542 11.407 1.00 20.66 N ATOM 1484 CA THR B 32 -13.027 -8.526 12.861 1.00 20.60 C ATOM 1485 C THR B 32 -12.488 -9.856 13.375 1.00 21.58 C ATOM 1486 O THR B 32 -12.779 -10.917 12.816 1.00 22.28 O ATOM 1487 CB THR B 32 -14.448 -8.277 13.362 1.00 23.21 C ATOM 1488 OG1 THR B 32 -15.357 -9.148 12.679 1.00 24.57 O ATOM 1489 CG2 THR B 32 -14.855 -6.836 13.081 1.00 21.92 C ATOM 1490 HG1 THR B 32 -16.277 -8.985 13.006 1.00 0.00 H ATOM 1491 H THR B 32 -13.898 -8.452 10.874 1.00 0.00 H ATOM 1492 N ASP B 33 -11.665 -9.798 14.425 1.00 19.21 N ATOM 1493 CA ASP B 33 -10.954 -10.983 14.888 1.00 18.20 C ATOM 1494 C ASP B 33 -11.086 -11.218 16.385 1.00 18.83 C ATOM 1495 O ASP B 33 -10.379 -12.079 16.929 1.00 22.70 O ATOM 1496 CB ASP B 33 -9.468 -10.909 14.524 1.00 21.47 C ATOM 1497 CG ASP B 33 -8.826 -9.587 14.918 1.00 26.15 C ATOM 1498 OD1 ASP B 33 -9.468 -8.769 15.620 1.00 19.75 O ATOM 1499 OD2 ASP B 33 -7.664 -9.363 14.515 1.00 30.79 O ATOM 1500 H ASP B 33 -11.529 -8.893 14.920 1.00 0.00 H ATOM 1501 N VAL B 34 -11.959 -10.490 17.070 1.00 17.75 N ATOM 1502 CA VAL B 34 -12.161 -10.727 18.497 1.00 17.45 C ATOM 1503 C VAL B 34 -13.566 -10.290 18.859 1.00 17.90 C ATOM 1504 O VAL B 34 -14.129 -9.375 18.253 1.00 19.08 O ATOM 1505 CB VAL B 34 -11.103 -9.995 19.363 1.00 17.29 C ATOM 1506 CG1 VAL B 34 -11.297 -8.485 19.312 1.00 18.25 C ATOM 1507 CG2 VAL B 34 -11.155 -10.499 20.824 1.00 17.86 C ATOM 1508 H VAL B 34 -12.503 -9.746 16.588 1.00 0.00 H ATOM 1509 N VAL B 35 -14.206 -11.050 19.713 1.00 20.94 N ATOM 1510 CA VAL B 35 -15.409 -10.541 20.466 1.00 22.12 C ATOM 1511 C VAL B 35 -15.126 -10.263 22.044 1.00 21.37 C ATOM 1512 O VAL B 35 -14.351 -10.920 22.796 1.00 22.98 O ATOM 1513 CB VAL B 35 -16.510 -11.580 20.391 1.00 23.08 C ATOM 1514 CG1 VAL B 35 -16.142 -12.827 21.120 1.00 21.12 C ATOM 1515 CG2 VAL B 35 -17.819 -11.027 20.913 1.00 25.55 C ATOM 1516 H VAL B 35 -13.878 -12.024 19.875 1.00 0.00 H ATOM 1517 N ILE B 36 -15.578 -9.041 22.344 1.00 19.76 N ATOM 1518 CA ILE B 36 -15.395 -8.559 23.705 1.00 20.18 C ATOM 1519 C ILE B 36 -16.719 -8.772 24.420 1.00 24.43 C ATOM 1520 O ILE B 36 -17.741 -8.201 24.025 1.00 24.51 O ATOM 1521 CB ILE B 36 -14.972 -7.080 23.715 1.00 21.85 C ATOM 1522 CG1 ILE B 36 -13.807 -6.833 22.751 1.00 19.51 C ATOM 1523 CG2 ILE B 36 -14.613 -6.620 25.111 1.00 23.86 C ATOM 1524 CD1 ILE B 36 -12.480 -7.437 23.207 1.00 22.76 C ATOM 1525 H ILE B 36 -16.047 -8.452 21.626 1.00 0.00 H ATOM 1526 N VAL B 37 -16.715 -9.620 25.444 1.00 24.32 N ATOM 1527 CA VAL B 37 -17.914 -9.930 26.210 1.00 26.45 C ATOM 1528 C VAL B 37 -17.933 -9.008 27.420 1.00 23.54 C ATOM 1529 O VAL B 37 -16.951 -8.933 28.166 1.00 27.06 O ATOM 1530 CB VAL B 37 -17.954 -11.408 26.631 1.00 24.77 C ATOM 1531 CG1 VAL B 37 -19.188 -11.690 27.504 1.00 24.99 C ATOM 1532 CG2 VAL B 37 -17.957 -12.310 25.411 1.00 26.20 C ATOM 1533 H VAL B 37 -15.820 -10.080 25.708 1.00 0.00 H ATOM 1534 N VAL B 38 -19.030 -8.276 27.582 1.00 24.35 N ATOM 1535 CA VAL B 38 -19.247 -7.385 28.719 1.00 25.12 C ATOM 1536 C VAL B 38 -20.594 -7.780 29.306 1.00 31.67 C ATOM 1537 O VAL B 38 -21.644 -7.404 28.773 1.00 27.20 O ATOM 1538 CB VAL B 38 -19.229 -5.905 28.323 1.00 31.65 C ATOM 1539 CG1 VAL B 38 -19.215 -5.020 29.564 1.00 32.17 C ATOM 1540 CG2 VAL B 38 -18.029 -5.609 27.432 1.00 32.06 C ATOM 1541 H VAL B 38 -19.775 -8.341 26.859 1.00 0.00 H ATOM 1542 N SER B 39 -20.561 -8.548 30.395 1.00 34.68 N ATOM 1543 CA SER B 39 -21.770 -9.064 31.028 1.00 37.60 C ATOM 1544 C SER B 39 -22.617 -9.833 30.020 1.00 33.11 C ATOM 1545 O SER B 39 -22.161 -10.844 29.472 1.00 29.79 O ATOM 1546 CB SER B 39 -22.573 -7.925 31.661 1.00 43.69 C ATOM 1547 OG SER B 39 -22.000 -7.522 32.898 1.00 47.53 O ATOM 1548 HG SER B 39 -21.992 -8.290 33.522 1.00 0.00 H ATOM 1549 H SER B 39 -19.638 -8.789 30.809 1.00 0.00 H ATOM 1550 N ARG B 40 -23.851 -9.255 29.897 1.00 32.58 N ATOM 1551 CA ARG B 40 -24.523 -9.914 28.813 1.00 34.09 C ATOM 1552 C ARG B 40 -24.125 -9.403 27.433 1.00 35.06 C ATOM 1553 O ARG B 40 -24.693 -9.845 26.494 1.00 41.50 O ATOM 1554 CB ARG B 40 -26.037 -9.778 28.986 1.00 33.52 C ATOM 1555 CG ARG B 40 -26.600 -10.566 30.158 1.00 41.49 C ATOM 1556 CD ARG B 40 -28.093 -10.375 30.374 1.00 42.31 C ATOM 1557 H ARG B 40 -24.231 -8.482 30.480 1.00 0.00 H ATOM 1558 N GLU B 41 -23.324 -8.440 27.203 1.00 35.24 N ATOM 1559 CA GLU B 41 -23.296 -8.107 25.806 1.00 33.57 C ATOM 1560 C GLU B 41 -22.089 -8.575 25.085 1.00 31.07 C ATOM 1561 O GLU B 41 -21.183 -8.980 25.705 1.00 29.98 O ATOM 1562 CB GLU B 41 -23.456 -6.628 25.678 1.00 36.40 C ATOM 1563 CG GLU B 41 -24.756 -6.117 26.284 1.00 39.42 C ATOM 1564 CD GLU B 41 -25.444 -5.169 25.365 1.00 37.25 C ATOM 1565 OE1 GLU B 41 -25.259 -5.318 24.164 1.00 38.65 O ATOM 1566 OE2 GLU B 41 -26.135 -4.306 25.831 1.00 36.93 O ATOM 1567 H GLU B 41 -22.762 -7.957 27.933 1.00 0.00 H ATOM 1568 N GLN B 42 -22.112 -8.500 23.756 1.00 28.77 N ATOM 1569 CA GLN B 42 -20.937 -8.872 22.983 1.00 23.66 C ATOM 1570 C GLN B 42 -20.644 -7.783 21.961 1.00 28.02 C ATOM 1571 O GLN B 42 -21.566 -7.243 21.344 1.00 32.71 O ATOM 1572 CB GLN B 42 -21.128 -10.218 22.270 1.00 27.86 C ATOM 1573 CG GLN B 42 -21.227 -11.410 23.206 1.00 36.45 C ATOM 1574 CD GLN B 42 -21.442 -12.719 22.471 1.00 42.62 C ATOM 1575 OE1 GLN B 42 -21.044 -12.871 21.315 1.00 43.44 O ATOM 1576 NE2 GLN B 42 -22.077 -13.674 23.142 1.00 50.49 N ATOM 1577 HE22 GLN B 42 -22.395 -13.501 24.117 1.00 0.00 H ATOM 1578 HE21 GLN B 42 -22.256 -14.595 22.692 1.00 0.00 H ATOM 1579 H GLN B 42 -22.972 -8.175 23.269 1.00 0.00 H ATOM 1580 N PHE B 43 -19.360 -7.465 21.789 1.00 22.96 N ATOM 1581 CA PHE B 43 -18.917 -6.473 20.815 1.00 24.79 C ATOM 1582 C PHE B 43 -17.799 -7.065 19.968 1.00 24.02 C ATOM 1583 O PHE B 43 -16.787 -7.520 20.509 1.00 26.36 O ATOM 1584 CB PHE B 43 -18.423 -5.186 21.499 1.00 26.13 C ATOM 1585 CG PHE B 43 -19.426 -4.556 22.437 1.00 25.68 C ATOM 1586 CD1 PHE B 43 -20.170 -3.458 22.036 1.00 26.45 C ATOM 1587 CD2 PHE B 43 -19.609 -5.049 23.720 1.00 28.65 C ATOM 1588 CE1 PHE B 43 -21.078 -2.867 22.887 1.00 28.16 C ATOM 1589 CE2 PHE B 43 -20.525 -4.465 24.580 1.00 25.47 C ATOM 1590 CZ PHE B 43 -21.262 -3.373 24.162 1.00 27.72 C ATOM 1591 H PHE B 43 -18.645 -7.944 22.373 1.00 0.00 H ATOM 1592 N ARG B 44 -17.967 -7.039 18.642 1.00 21.43 N ATOM 1593 CA ARG B 44 -16.917 -7.489 17.742 1.00 22.21 C ATOM 1594 C ARG B 44 -16.065 -6.300 17.318 1.00 22.50 C ATOM 1595 O ARG B 44 -16.565 -5.182 17.167 1.00 23.36 O ATOM 1596 CB ARG B 44 -17.509 -8.179 16.510 1.00 24.15 C ATOM 1597 CG ARG B 44 -18.302 -9.440 16.826 1.00 26.54 C ATOM 1598 CD ARG B 44 -18.359 -10.363 15.628 1.00 29.50 C ATOM 1599 NE ARG B 44 -17.041 -10.517 15.017 1.00 28.80 N ATOM 1600 CZ ARG B 44 -16.244 -11.565 15.205 1.00 32.74 C ATOM 1601 NH1 ARG B 44 -16.639 -12.571 15.974 1.00 37.18 N ATOM 1602 NH2 ARG B 44 -15.060 -11.616 14.611 1.00 31.34 N ATOM 1603 HE ARG B 44 -16.703 -9.756 14.393 1.00 0.00 H ATOM 1604 HH12 ARG B 44 -16.015 -13.390 16.120 1.00 0.00 H ATOM 1605 HH11 ARG B 44 -17.573 -12.541 16.431 1.00 0.00 H ATOM 1606 HH22 ARG B 44 -14.439 -12.437 14.760 1.00 0.00 H ATOM 1607 HH21 ARG B 44 -14.753 -10.835 13.996 1.00 0.00 H ATOM 1608 H ARG B 44 -18.864 -6.691 18.247 1.00 0.00 H ATOM 1609 N ALA B 45 -14.771 -6.545 17.133 1.00 19.93 N ATOM 1610 CA ALA B 45 -13.840 -5.460 16.844 1.00 18.09 C ATOM 1611 C ALA B 45 -12.581 -6.025 16.204 1.00 20.05 C ATOM 1612 O ALA B 45 -12.436 -7.238 16.024 1.00 19.80 O ATOM 1613 CB ALA B 45 -13.495 -4.678 18.117 1.00 19.26 C ATOM 1614 H ALA B 45 -14.419 -7.522 17.195 1.00 0.00 H ATOM 1615 N HIS B 46 -11.654 -5.124 15.885 1.00 20.96 N ATOM 1616 CA HIS B 46 -10.345 -5.481 15.355 1.00 19.56 C ATOM 1617 C HIS B 46 -9.305 -5.338 16.457 1.00 16.37 C ATOM 1618 O HIS B 46 -9.184 -4.270 17.061 1.00 17.77 O ATOM 1619 CB HIS B 46 -9.966 -4.591 14.168 1.00 19.39 C ATOM 1620 CG HIS B 46 -10.975 -4.599 13.061 1.00 20.41 C ATOM 1621 ND1 HIS B 46 -11.905 -3.596 12.897 1.00 22.72 N ATOM 1622 CD2 HIS B 46 -11.196 -5.487 12.061 1.00 20.94 C ATOM 1623 CE1 HIS B 46 -12.665 -3.870 11.851 1.00 23.93 C ATOM 1624 NE2 HIS B 46 -12.252 -5.010 11.323 1.00 23.15 N ATOM 1625 H HIS B 46 -11.875 -4.117 16.021 1.00 0.00 H ATOM 1626 N LYS B 47 -8.548 -6.412 16.697 1.00 21.06 N ATOM 1627 CA LYS B 47 -7.514 -6.386 17.729 1.00 17.33 C ATOM 1628 C LYS B 47 -6.536 -5.234 17.519 1.00 17.86 C ATOM 1629 O LYS B 47 -6.094 -4.606 18.487 1.00 17.90 O ATOM 1630 CB LYS B 47 -6.760 -7.713 17.746 1.00 16.94 C ATOM 1631 CG LYS B 47 -7.504 -8.900 18.317 1.00 24.68 C ATOM 1632 CD LYS B 47 -6.645 -10.130 18.020 1.00 29.76 C ATOM 1633 CE LYS B 47 -7.427 -11.418 18.005 1.00 32.90 C ATOM 1634 NZ LYS B 47 -6.573 -12.572 18.435 1.00 27.26 N ATOM 1635 HZ1 LYS B 47 -5.765 -12.665 17.786 1.00 0.00 H ATOM 1636 HZ2 LYS B 47 -6.226 -12.404 19.401 1.00 0.00 H ATOM 1637 HZ3 LYS B 47 -7.137 -13.445 18.415 1.00 0.00 H ATOM 1638 H LYS B 47 -8.697 -7.279 16.142 1.00 0.00 H ATOM 1639 N THR B 48 -6.171 -4.947 16.262 1.00 16.00 N ATOM 1640 CA THR B 48 -5.219 -3.867 16.008 1.00 18.43 C ATOM 1641 C THR B 48 -5.732 -2.534 16.535 1.00 19.74 C ATOM 1642 O THR B 48 -4.968 -1.760 17.126 1.00 19.74 O ATOM 1643 CB THR B 48 -4.921 -3.734 14.510 1.00 22.88 C ATOM 1644 OG1 THR B 48 -6.132 -3.839 13.755 1.00 23.78 O ATOM 1645 CG2 THR B 48 -3.995 -4.857 14.070 1.00 26.49 C ATOM 1646 HG1 THR B 48 -5.927 -3.752 12.790 1.00 0.00 H ATOM 1647 H THR B 48 -6.564 -5.492 15.468 1.00 0.00 H ATOM 1648 N VAL B 49 -7.012 -2.227 16.294 1.00 19.18 N ATOM 1649 CA VAL B 49 -7.557 -0.953 16.748 1.00 16.75 C ATOM 1650 C VAL B 49 -7.656 -0.932 18.266 1.00 21.82 C ATOM 1651 O VAL B 49 -7.357 0.082 18.907 1.00 19.31 O ATOM 1652 CB VAL B 49 -8.919 -0.679 16.082 1.00 17.02 C ATOM 1653 CG1 VAL B 49 -9.533 0.578 16.653 1.00 19.57 C ATOM 1654 CG2 VAL B 49 -8.751 -0.545 14.537 1.00 16.44 C ATOM 1655 H VAL B 49 -7.619 -2.898 15.782 1.00 0.00 H ATOM 1656 N LEU B 50 -8.077 -2.047 18.860 1.00 20.05 N ATOM 1657 CA LEU B 50 -8.125 -2.154 20.315 1.00 19.40 C ATOM 1658 C LEU B 50 -6.747 -1.922 20.933 1.00 19.67 C ATOM 1659 O LEU B 50 -6.613 -1.196 21.928 1.00 19.23 O ATOM 1660 CB LEU B 50 -8.661 -3.530 20.700 1.00 19.99 C ATOM 1661 CG LEU B 50 -10.110 -3.864 20.342 1.00 20.63 C ATOM 1662 CD1 LEU B 50 -10.504 -5.146 21.057 1.00 22.88 C ATOM 1663 CD2 LEU B 50 -11.064 -2.737 20.710 1.00 22.47 C ATOM 1664 H LEU B 50 -8.377 -2.855 18.278 1.00 0.00 H ATOM 1665 N MET B 51 -5.708 -2.539 20.360 1.00 17.46 N ATOM 1666 CA MET B 51 -4.359 -2.369 20.898 1.00 17.89 C ATOM 1667 C MET B 51 -3.871 -0.937 20.737 1.00 21.72 C ATOM 1668 O MET B 51 -3.211 -0.398 21.630 1.00 21.53 O ATOM 1669 CB MET B 51 -3.372 -3.320 20.220 1.00 20.89 C ATOM 1670 CG MET B 51 -3.526 -4.790 20.563 1.00 22.95 C ATOM 1671 SD MET B 51 -2.294 -5.748 19.650 1.00 24.77 S ATOM 1672 CE MET B 51 -0.797 -5.296 20.515 1.00 24.49 C ATOM 1673 H MET B 51 -5.860 -3.143 19.527 1.00 0.00 H ATOM 1674 N ALA B 52 -4.159 -0.311 19.593 1.00 21.40 N ATOM 1675 CA ALA B 52 -3.681 1.049 19.367 1.00 20.38 C ATOM 1676 C ALA B 52 -4.323 2.049 20.320 1.00 21.45 C ATOM 1677 O ALA B 52 -3.715 3.078 20.639 1.00 24.09 O ATOM 1678 CB ALA B 52 -3.945 1.465 17.920 1.00 19.84 C ATOM 1679 H ALA B 52 -4.723 -0.792 18.864 1.00 0.00 H ATOM 1680 N CYS B 53 -5.538 1.773 20.795 1.00 19.07 N ATOM 1681 CA CYS B 53 -6.288 2.770 21.535 1.00 19.74 C ATOM 1682 C CYS B 53 -6.368 2.519 23.033 1.00 20.16 C ATOM 1683 O CYS B 53 -6.809 3.417 23.753 1.00 24.47 O ATOM 1684 CB CYS B 53 -7.720 2.881 21.007 1.00 23.18 C ATOM 1685 SG CYS B 53 -7.921 3.287 19.282 1.00 21.50 S ATOM 1686 H CYS B 53 -5.952 0.833 20.633 1.00 0.00 H ATOM 1687 N SER B 54 -5.973 1.346 23.526 1.00 21.00 N ATOM 1688 CA SER B 54 -6.213 1.024 24.933 1.00 20.28 C ATOM 1689 C SER B 54 -5.015 0.310 25.544 1.00 21.86 C ATOM 1690 O SER B 54 -4.550 -0.705 25.014 1.00 21.64 O ATOM 1691 CB SER B 54 -7.483 0.167 25.084 1.00 19.96 C ATOM 1692 OG SER B 54 -7.459 -0.628 26.267 1.00 20.23 O ATOM 1693 HG SER B 54 -7.390 -0.038 27.059 1.00 0.00 H ATOM 1694 H SER B 54 -5.494 0.659 22.910 1.00 0.00 H ATOM 1695 N GLY B 55 -4.532 0.838 26.670 1.00 23.74 N ATOM 1696 CA GLY B 55 -3.428 0.194 27.364 1.00 25.82 C ATOM 1697 C GLY B 55 -3.756 -1.219 27.803 1.00 26.93 C ATOM 1698 O GLY B 55 -2.906 -2.112 27.737 1.00 24.15 O ATOM 1699 H GLY B 55 -4.946 1.712 27.052 1.00 0.00 H ATOM 1700 N LEU B 56 -4.991 -1.444 28.263 1.00 22.17 N ATOM 1701 CA LEU B 56 -5.388 -2.790 28.668 1.00 20.92 C ATOM 1702 C LEU B 56 -5.352 -3.751 27.486 1.00 23.28 C ATOM 1703 O LEU B 56 -4.771 -4.839 27.570 1.00 25.42 O ATOM 1704 CB LEU B 56 -6.785 -2.772 29.284 1.00 25.67 C ATOM 1705 CG LEU B 56 -7.247 -4.132 29.806 1.00 27.33 C ATOM 1706 CD1 LEU B 56 -6.563 -4.475 31.132 1.00 27.49 C ATOM 1707 CD2 LEU B 56 -8.762 -4.172 29.939 1.00 29.91 C ATOM 1708 H LEU B 56 -5.670 -0.659 28.333 1.00 0.00 H ATOM 1709 N PHE B 57 -5.984 -3.373 26.379 1.00 20.69 N ATOM 1710 CA PHE B 57 -6.004 -4.264 25.224 1.00 18.95 C ATOM 1711 C PHE B 57 -4.617 -4.426 24.619 1.00 20.63 C ATOM 1712 O PHE B 57 -4.291 -5.504 24.107 1.00 24.62 O ATOM 1713 CB PHE B 57 -7.004 -3.759 24.184 1.00 20.23 C ATOM 1714 CG PHE B 57 -8.425 -4.027 24.557 1.00 20.38 C ATOM 1715 CD1 PHE B 57 -9.376 -3.025 24.516 1.00 19.46 C ATOM 1716 CD2 PHE B 57 -8.802 -5.287 24.995 1.00 21.07 C ATOM 1717 CE1 PHE B 57 -10.692 -3.286 24.874 1.00 21.27 C ATOM 1718 CE2 PHE B 57 -10.109 -5.550 25.353 1.00 21.94 C ATOM 1719 CZ PHE B 57 -11.053 -4.552 25.302 1.00 21.31 C ATOM 1720 H PHE B 57 -6.460 -2.449 26.337 1.00 0.00 H ATOM 1721 N TYR B 58 -3.781 -3.389 24.680 1.00 19.20 N ATOM 1722 CA TYR B 58 -2.398 -3.567 24.260 1.00 19.38 C ATOM 1723 C TYR B 58 -1.699 -4.614 25.117 1.00 24.04 C ATOM 1724 O TYR B 58 -1.044 -5.523 24.595 1.00 22.43 O ATOM 1725 CB TYR B 58 -1.636 -2.244 24.316 1.00 21.21 C ATOM 1726 CG TYR B 58 -0.161 -2.446 24.094 1.00 24.74 C ATOM 1727 CD1 TYR B 58 0.363 -2.522 22.811 1.00 26.27 C ATOM 1728 CD2 TYR B 58 0.706 -2.609 25.167 1.00 23.53 C ATOM 1729 CE1 TYR B 58 1.709 -2.731 22.606 1.00 28.79 C ATOM 1730 CE2 TYR B 58 2.046 -2.822 24.975 1.00 25.27 C ATOM 1731 CZ TYR B 58 2.548 -2.881 23.690 1.00 27.46 C ATOM 1732 OH TYR B 58 3.895 -3.091 23.496 1.00 29.78 O ATOM 1733 HH TYR B 58 4.089 -3.106 22.525 1.00 0.00 H ATOM 1734 H TYR B 58 -4.112 -2.465 25.023 1.00 0.00 H ATOM 1735 N SER B 59 -1.835 -4.507 26.443 1.00 23.74 N ATOM 1736 CA SER B 59 -1.103 -5.414 27.315 1.00 22.88 C ATOM 1737 C SER B 59 -1.604 -6.849 27.207 1.00 22.91 C ATOM 1738 O SER B 59 -0.855 -7.780 27.520 1.00 25.73 O ATOM 1739 CB SER B 59 -1.180 -4.922 28.759 1.00 23.33 C ATOM 1740 OG SER B 59 -0.431 -3.727 28.915 1.00 22.78 O ATOM 1741 HG SER B 59 -0.797 -3.029 28.316 1.00 0.00 H ATOM 1742 H SER B 59 -2.459 -3.781 26.848 1.00 0.00 H ATOM 1743 N ILE B 60 -2.842 -7.051 26.763 1.00 20.07 N ATOM 1744 CA ILE B 60 -3.351 -8.406 26.571 1.00 23.05 C ATOM 1745 C ILE B 60 -2.777 -9.010 25.297 1.00 23.29 C ATOM 1746 O ILE B 60 -2.098 -10.045 25.321 1.00 25.00 O ATOM 1747 CB ILE B 60 -4.890 -8.402 26.536 1.00 20.29 C ATOM 1748 CG1 ILE B 60 -5.470 -8.056 27.910 1.00 22.58 C ATOM 1749 CG2 ILE B 60 -5.421 -9.754 26.083 1.00 21.82 C ATOM 1750 CD1 ILE B 60 -6.964 -7.792 27.860 1.00 28.99 C ATOM 1751 H ILE B 60 -3.453 -6.236 26.551 1.00 0.00 H ATOM 1752 N PHE B 61 -3.014 -8.353 24.169 1.00 23.33 N ATOM 1753 CA PHE B 61 -2.692 -8.952 22.880 1.00 22.49 C ATOM 1754 C PHE B 61 -1.210 -8.877 22.531 1.00 24.16 C ATOM 1755 O PHE B 61 -0.772 -9.590 21.624 1.00 26.99 O ATOM 1756 CB PHE B 61 -3.527 -8.287 21.787 1.00 20.41 C ATOM 1757 CG PHE B 61 -5.012 -8.440 21.977 1.00 19.97 C ATOM 1758 CD1 PHE B 61 -5.584 -9.696 22.093 1.00 23.57 C ATOM 1759 CD2 PHE B 61 -5.838 -7.327 22.016 1.00 20.72 C ATOM 1760 CE1 PHE B 61 -6.953 -9.839 22.263 1.00 26.53 C ATOM 1761 CE2 PHE B 61 -7.210 -7.463 22.183 1.00 23.35 C ATOM 1762 CZ PHE B 61 -7.766 -8.724 22.311 1.00 23.64 C ATOM 1763 H PHE B 61 -3.433 -7.402 24.205 1.00 0.00 H ATOM 1764 N THR B 62 -0.428 -8.026 23.201 1.00 20.96 N ATOM 1765 CA THR B 62 1.000 -8.000 22.911 1.00 24.97 C ATOM 1766 C THR B 62 1.703 -9.213 23.493 1.00 28.79 C ATOM 1767 O THR B 62 2.790 -9.572 23.028 1.00 30.70 O ATOM 1768 CB THR B 62 1.642 -6.710 23.425 1.00 27.36 C ATOM 1769 OG1 THR B 62 2.878 -6.482 22.738 1.00 33.61 O ATOM 1770 CG2 THR B 62 1.907 -6.781 24.923 1.00 23.67 C ATOM 1771 HG1 THR B 62 3.490 -7.243 22.901 1.00 0.00 H ATOM 1772 H THR B 62 -0.832 -7.391 23.919 1.00 0.00 H ATOM 1773 N ASP B 63 1.084 -9.859 24.478 1.00 27.61 N ATOM 1774 CA ASP B 63 1.629 -11.054 25.103 1.00 27.83 C ATOM 1775 C ASP B 63 1.301 -12.261 24.232 1.00 26.80 C ATOM 1776 O ASP B 63 0.125 -12.565 24.006 1.00 25.77 O ATOM 1777 CB ASP B 63 1.034 -11.202 26.501 1.00 27.84 C ATOM 1778 CG ASP B 63 1.702 -12.290 27.320 1.00 32.56 C ATOM 1779 OD1 ASP B 63 2.494 -13.078 26.761 1.00 30.47 O ATOM 1780 OD2 ASP B 63 1.429 -12.347 28.537 1.00 30.76 O ATOM 1781 H ASP B 63 0.171 -9.494 24.816 1.00 0.00 H ATOM 1782 N GLN B 64 2.331 -12.961 23.754 1.00 33.24 N ATOM 1783 CA GLN B 64 2.083 -14.109 22.890 1.00 37.91 C ATOM 1784 C GLN B 64 1.280 -15.195 23.595 1.00 32.18 C ATOM 1785 O GLN B 64 0.705 -16.059 22.926 1.00 29.84 O ATOM 1786 CB GLN B 64 3.403 -14.673 22.366 1.00 47.68 C ATOM 1787 CG GLN B 64 4.022 -13.851 21.237 1.00 52.71 C ATOM 1788 CD GLN B 64 3.346 -14.070 19.887 1.00 57.02 C ATOM 1789 OE1 GLN B 64 2.214 -14.549 19.812 1.00 58.14 O ATOM 1790 NE2 GLN B 64 4.041 -13.708 18.813 1.00 58.76 N ATOM 1791 HE22 GLN B 64 4.995 -13.307 18.921 1.00 0.00 H ATOM 1792 HE21 GLN B 64 3.631 -13.826 17.864 1.00 0.00 H ATOM 1793 H GLN B 64 3.305 -12.689 23.996 1.00 0.00 H ATOM 1794 N LEU B 65 1.197 -15.152 24.925 1.00 32.22 N ATOM 1795 CA LEU B 65 0.321 -16.068 25.641 1.00 31.96 C ATOM 1796 C LEU B 65 -1.146 -15.821 25.339 1.00 29.97 C ATOM 1797 O LEU B 65 -1.951 -16.749 25.459 1.00 31.92 O ATOM 1798 CB LEU B 65 0.543 -15.950 27.149 1.00 34.74 C ATOM 1799 CG LEU B 65 1.818 -16.542 27.731 1.00 41.16 C ATOM 1800 CD1 LEU B 65 1.869 -16.221 29.204 1.00 45.19 C ATOM 1801 CD2 LEU B 65 1.862 -18.046 27.497 1.00 39.39 C ATOM 1802 H LEU B 65 1.763 -14.459 25.455 1.00 0.00 H ATOM 1803 N LYS B 66 -1.516 -14.587 24.970 1.00 23.17 N ATOM 1804 CA LYS B 66 -2.910 -14.224 24.763 1.00 26.81 C ATOM 1805 C LYS B 66 -3.196 -13.624 23.389 1.00 26.75 C ATOM 1806 O LYS B 66 -4.358 -13.318 23.101 1.00 26.25 O ATOM 1807 CB LYS B 66 -3.364 -13.225 25.841 1.00 28.58 C ATOM 1808 CG LYS B 66 -3.175 -13.713 27.275 1.00 27.54 C ATOM 1809 CD LYS B 66 -3.667 -12.680 28.290 1.00 30.00 C ATOM 1810 CE LYS B 66 -3.786 -13.288 29.678 1.00 34.27 C ATOM 1811 NZ LYS B 66 -4.276 -12.294 30.667 1.00 34.46 N ATOM 1812 HZ1 LYS B 66 -3.611 -11.495 30.713 1.00 0.00 H ATOM 1813 HZ2 LYS B 66 -5.213 -11.950 30.376 1.00 0.00 H ATOM 1814 HZ3 LYS B 66 -4.345 -12.743 31.603 1.00 0.00 H ATOM 1815 H LYS B 66 -0.782 -13.864 24.827 1.00 0.00 H ATOM 1816 N ARG B 67 -2.185 -13.468 22.530 1.00 28.96 N ATOM 1817 CA ARG B 67 -2.378 -12.719 21.289 1.00 26.35 C ATOM 1818 C ARG B 67 -3.397 -13.376 20.362 1.00 26.41 C ATOM 1819 O ARG B 67 -4.082 -12.678 19.605 1.00 27.51 O ATOM 1820 CB ARG B 67 -1.046 -12.543 20.561 1.00 30.88 C ATOM 1821 CG ARG B 67 -1.156 -11.663 19.304 1.00 28.41 C ATOM 1822 CD ARG B 67 0.193 -11.343 18.709 1.00 30.33 C ATOM 1823 NE ARG B 67 1.086 -10.673 19.653 1.00 25.43 N ATOM 1824 CZ ARG B 67 2.338 -10.326 19.364 1.00 29.00 C ATOM 1825 NH1 ARG B 67 2.831 -10.579 18.155 1.00 31.07 N ATOM 1826 NH2 ARG B 67 3.102 -9.739 20.277 1.00 29.51 N ATOM 1827 HE ARG B 67 0.723 -10.455 20.603 1.00 0.00 H ATOM 1828 HH12 ARG B 67 3.809 -10.309 17.925 1.00 0.00 H ATOM 1829 HH11 ARG B 67 2.239 -11.046 17.439 1.00 0.00 H ATOM 1830 HH22 ARG B 67 4.079 -9.471 20.043 1.00 0.00 H ATOM 1831 HH21 ARG B 67 2.723 -9.547 21.226 1.00 0.00 H ATOM 1832 H ARG B 67 -1.255 -13.882 22.745 1.00 0.00 H ATOM 1833 N ASN B 68 -3.526 -14.698 20.410 1.00 24.98 N ATOM 1834 CA ASN B 68 -4.402 -15.413 19.491 1.00 24.06 C ATOM 1835 C ASN B 68 -5.811 -15.634 20.031 1.00 27.98 C ATOM 1836 O ASN B 68 -6.620 -16.277 19.356 1.00 27.78 O ATOM 1837 CB ASN B 68 -3.768 -16.755 19.121 1.00 25.35 C ATOM 1838 CG ASN B 68 -2.451 -16.582 18.393 1.00 32.33 C ATOM 1839 OD1 ASN B 68 -1.403 -17.034 18.856 1.00 35.89 O ATOM 1840 ND2 ASN B 68 -2.496 -15.906 17.254 1.00 30.57 N ATOM 1841 HD22 ASN B 68 -3.404 -15.542 16.901 1.00 0.00 H ATOM 1842 HD21 ASN B 68 -1.623 -15.739 16.714 1.00 0.00 H ATOM 1843 H ASN B 68 -2.989 -15.235 21.120 1.00 0.00 H ATOM 1844 N LEU B 69 -6.131 -15.117 21.215 1.00 29.12 N ATOM 1845 CA LEU B 69 -7.479 -15.264 21.746 1.00 29.21 C ATOM 1846 C LEU B 69 -8.496 -14.619 20.815 1.00 24.38 C ATOM 1847 O LEU B 69 -8.265 -13.535 20.279 1.00 23.90 O ATOM 1848 CB LEU B 69 -7.578 -14.624 23.127 1.00 30.77 C ATOM 1849 CG LEU B 69 -6.843 -15.327 24.263 1.00 33.33 C ATOM 1850 CD1 LEU B 69 -6.779 -14.416 25.475 1.00 34.34 C ATOM 1851 CD2 LEU B 69 -7.547 -16.625 24.595 1.00 34.99 C ATOM 1852 H LEU B 69 -5.413 -14.604 21.765 1.00 0.00 H ATOM 1853 N SER B 70 -9.628 -15.299 20.625 1.00 27.19 N ATOM 1854 CA SER B 70 -10.752 -14.763 19.870 1.00 27.41 C ATOM 1855 C SER B 70 -11.881 -14.261 20.761 1.00 23.55 C ATOM 1856 O SER B 70 -12.847 -13.688 20.247 1.00 20.94 O ATOM 1857 CB SER B 70 -11.307 -15.825 18.914 1.00 33.36 C ATOM 1858 OG SER B 70 -11.860 -16.915 19.635 1.00 37.75 O ATOM 1859 HG SER B 70 -11.157 -17.328 20.197 1.00 0.00 H ATOM 1860 H SER B 70 -9.711 -16.252 21.033 1.00 0.00 H ATOM 1861 N VAL B 71 -11.794 -14.481 22.069 1.00 22.36 N ATOM 1862 CA VAL B 71 -12.795 -14.028 23.027 1.00 25.74 C ATOM 1863 C VAL B 71 -12.060 -13.395 24.198 1.00 25.31 C ATOM 1864 O VAL B 71 -11.097 -13.973 24.714 1.00 24.59 O ATOM 1865 CB VAL B 71 -13.695 -15.179 23.522 1.00 31.62 C ATOM 1866 CG1 VAL B 71 -14.728 -14.656 24.508 1.00 31.30 C ATOM 1867 CG2 VAL B 71 -14.389 -15.863 22.362 1.00 30.87 C ATOM 1868 H VAL B 71 -10.969 -15.003 22.427 1.00 0.00 H ATOM 1869 N ILE B 72 -12.506 -12.209 24.610 1.00 23.34 N ATOM 1870 CA ILE B 72 -11.994 -11.530 25.795 1.00 22.63 C ATOM 1871 C ILE B 72 -13.181 -11.187 26.685 1.00 24.21 C ATOM 1872 O ILE B 72 -14.064 -10.421 26.282 1.00 25.53 O ATOM 1873 CB ILE B 72 -11.202 -10.260 25.443 1.00 24.99 C ATOM 1874 CG1 ILE B 72 -10.012 -10.599 24.546 1.00 29.72 C ATOM 1875 CG2 ILE B 72 -10.741 -9.547 26.707 1.00 24.66 C ATOM 1876 CD1 ILE B 72 -8.989 -11.493 25.222 1.00 31.01 C ATOM 1877 H ILE B 72 -13.256 -11.745 24.059 1.00 0.00 H ATOM 1878 N ASN B 73 -13.207 -11.758 27.886 1.00 23.24 N ATOM 1879 CA ASN B 73 -14.243 -11.448 28.864 1.00 25.92 C ATOM 1880 C ASN B 73 -13.754 -10.324 29.769 1.00 27.51 C ATOM 1881 O ASN B 73 -12.738 -10.472 30.458 1.00 29.30 O ATOM 1882 CB ASN B 73 -14.601 -12.685 29.681 1.00 23.97 C ATOM 1883 CG ASN B 73 -15.326 -13.734 28.867 1.00 33.37 C ATOM 1884 OD1 ASN B 73 -16.445 -13.517 28.402 1.00 38.48 O ATOM 1885 ND2 ASN B 73 -14.681 -14.881 28.680 1.00 36.25 N ATOM 1886 HD22 ASN B 73 -13.736 -15.020 29.092 1.00 0.00 H ATOM 1887 HD21 ASN B 73 -15.121 -15.640 28.121 1.00 0.00 H ATOM 1888 H ASN B 73 -12.467 -12.445 28.135 1.00 0.00 H ATOM 1889 N LEU B 74 -14.459 -9.195 29.743 1.00 24.68 N ATOM 1890 CA LEU B 74 -14.090 -8.059 30.567 1.00 23.08 C ATOM 1891 C LEU B 74 -14.579 -8.264 31.995 1.00 24.22 C ATOM 1892 O LEU B 74 -15.311 -9.207 32.308 1.00 35.10 O ATOM 1893 CB LEU B 74 -14.662 -6.760 30.004 1.00 25.20 C ATOM 1894 CG LEU B 74 -14.104 -6.257 28.674 1.00 26.38 C ATOM 1895 CD1 LEU B 74 -14.481 -4.795 28.442 1.00 28.43 C ATOM 1896 CD2 LEU B 74 -12.599 -6.440 28.639 1.00 23.05 C ATOM 1897 H LEU B 74 -15.289 -9.126 29.121 1.00 0.00 H ATOM 1898 N ASP B 75 -14.159 -7.352 32.861 1.00 29.40 N ATOM 1899 CA ASP B 75 -14.605 -7.355 34.249 1.00 30.85 C ATOM 1900 C ASP B 75 -16.130 -7.257 34.298 1.00 30.65 C ATOM 1901 O ASP B 75 -16.707 -6.358 33.669 1.00 31.34 O ATOM 1902 CB ASP B 75 -13.952 -6.180 34.983 1.00 27.79 C ATOM 1903 CG ASP B 75 -14.443 -6.003 36.409 1.00 33.68 C ATOM 1904 OD1 ASP B 75 -13.820 -5.194 37.118 1.00 33.66 O ATOM 1905 OD2 ASP B 75 -15.426 -6.651 36.823 1.00 32.97 O ATOM 1906 H ASP B 75 -13.496 -6.617 32.543 1.00 0.00 H ATOM 1907 N PRO B 76 -16.814 -8.163 35.006 1.00 29.80 N ATOM 1908 CA PRO B 76 -18.289 -8.137 35.023 1.00 33.04 C ATOM 1909 C PRO B 76 -18.889 -6.847 35.570 1.00 32.24 C ATOM 1910 O PRO B 76 -20.088 -6.614 35.370 1.00 32.91 O ATOM 1911 CB PRO B 76 -18.654 -9.338 35.912 1.00 36.83 C ATOM 1912 CG PRO B 76 -17.363 -9.753 36.583 1.00 35.19 C ATOM 1913 CD PRO B 76 -16.288 -9.392 35.611 1.00 32.47 C ATOM 1914 N GLU B 77 -18.107 -6.010 36.249 1.00 30.17 N ATOM 1915 CA GLU B 77 -18.613 -4.735 36.737 1.00 31.21 C ATOM 1916 C GLU B 77 -18.652 -3.661 35.657 1.00 31.78 C ATOM 1917 O GLU B 77 -19.240 -2.600 35.883 1.00 32.79 O ATOM 1918 CB GLU B 77 -17.764 -4.244 37.913 1.00 34.11 C ATOM 1919 CG GLU B 77 -17.879 -5.094 39.177 1.00 32.00 C ATOM 1920 CD GLU B 77 -19.280 -5.073 39.778 1.00 36.81 C ATOM 1921 OE1 GLU B 77 -19.913 -3.994 39.807 1.00 39.21 O ATOM 1922 OE2 GLU B 77 -19.744 -6.141 40.223 1.00 41.60 O ATOM 1923 H GLU B 77 -17.118 -6.272 36.434 1.00 0.00 H ATOM 1924 N ILE B 78 -18.055 -3.908 34.491 1.00 29.07 N ATOM 1925 CA ILE B 78 -18.040 -2.904 33.434 1.00 31.96 C ATOM 1926 C ILE B 78 -19.440 -2.741 32.861 1.00 33.50 C ATOM 1927 O ILE B 78 -20.124 -3.727 32.552 1.00 33.56 O ATOM 1928 CB ILE B 78 -17.029 -3.286 32.343 1.00 30.49 C ATOM 1929 CG1 ILE B 78 -15.615 -3.316 32.922 1.00 31.80 C ATOM 1930 CG2 ILE B 78 -17.105 -2.303 31.179 1.00 33.60 C ATOM 1931 CD1 ILE B 78 -15.186 -2.009 33.551 1.00 29.74 C ATOM 1932 H ILE B 78 -17.595 -4.827 34.334 1.00 0.00 H ATOM 1933 N ASN B 79 -19.869 -1.494 32.717 1.00 34.67 N ATOM 1934 CA ASN B 79 -21.177 -1.173 32.154 1.00 37.47 C ATOM 1935 C ASN B 79 -21.121 -1.240 30.625 1.00 34.02 C ATOM 1936 O ASN B 79 -20.263 -0.582 30.029 1.00 30.99 O ATOM 1937 CB ASN B 79 -21.598 0.216 32.618 1.00 36.56 C ATOM 1938 CG ASN B 79 -22.888 0.694 31.980 1.00 39.42 C ATOM 1939 OD1 ASN B 79 -22.869 1.407 30.978 1.00 39.12 O ATOM 1940 ND2 ASN B 79 -24.017 0.312 32.567 1.00 43.67 N ATOM 1941 HD22 ASN B 79 -23.985 -0.292 33.413 1.00 0.00 H ATOM 1942 HD21 ASN B 79 -24.933 0.617 32.180 1.00 0.00 H ATOM 1943 H ASN B 79 -19.249 -0.715 33.017 1.00 0.00 H ATOM 1944 N PRO B 80 -21.995 -2.012 29.971 1.00 34.53 N ATOM 1945 CA PRO B 80 -21.889 -2.150 28.503 1.00 33.05 C ATOM 1946 C PRO B 80 -22.096 -0.847 27.751 1.00 32.94 C ATOM 1947 O PRO B 80 -21.418 -0.615 26.744 1.00 30.05 O ATOM 1948 CB PRO B 80 -22.980 -3.178 28.168 1.00 32.42 C ATOM 1949 CG PRO B 80 -23.222 -3.914 29.463 1.00 32.68 C ATOM 1950 CD PRO B 80 -23.027 -2.896 30.538 1.00 35.37 C ATOM 1951 N GLU B 81 -23.016 0.011 28.201 1.00 35.76 N ATOM 1952 CA GLU B 81 -23.204 1.300 27.537 1.00 35.34 C ATOM 1953 C GLU B 81 -21.921 2.119 27.577 1.00 34.78 C ATOM 1954 O GLU B 81 -21.506 2.701 26.567 1.00 30.81 O ATOM 1955 CB GLU B 81 -24.352 2.074 28.184 1.00 38.63 C ATOM 1956 CG GLU B 81 -25.097 2.979 27.213 1.00 43.74 C ATOM 1957 CD GLU B 81 -25.940 4.026 27.912 1.00 48.82 C ATOM 1958 OE1 GLU B 81 -26.413 3.764 29.038 1.00 49.71 O ATOM 1959 OE2 GLU B 81 -26.133 5.114 27.325 1.00 50.75 O ATOM 1960 H GLU B 81 -23.599 -0.238 29.025 1.00 0.00 H ATOM 1961 N GLY B 82 -21.277 2.167 28.743 1.00 29.22 N ATOM 1962 CA GLY B 82 -20.002 2.855 28.850 1.00 30.23 C ATOM 1963 C GLY B 82 -18.944 2.273 27.933 1.00 32.22 C ATOM 1964 O GLY B 82 -18.201 3.012 27.282 1.00 28.15 O ATOM 1965 H GLY B 82 -21.690 1.709 29.581 1.00 0.00 H ATOM 1966 N PHE B 83 -18.860 0.941 27.862 1.00 27.03 N ATOM 1967 CA PHE B 83 -17.884 0.342 26.961 1.00 24.62 C ATOM 1968 C PHE B 83 -18.191 0.698 25.513 1.00 28.54 C ATOM 1969 O PHE B 83 -17.285 1.058 24.754 1.00 29.41 O ATOM 1970 CB PHE B 83 -17.837 -1.177 27.123 1.00 24.26 C ATOM 1971 CG PHE B 83 -16.870 -1.835 26.189 1.00 23.10 C ATOM 1972 CD1 PHE B 83 -15.509 -1.767 26.430 1.00 23.96 C ATOM 1973 CD2 PHE B 83 -17.314 -2.493 25.051 1.00 22.33 C ATOM 1974 CE1 PHE B 83 -14.605 -2.346 25.558 1.00 26.31 C ATOM 1975 CE2 PHE B 83 -16.413 -3.085 24.178 1.00 23.03 C ATOM 1976 CZ PHE B 83 -15.056 -3.010 24.432 1.00 23.87 C ATOM 1977 H PHE B 83 -19.482 0.341 28.441 1.00 0.00 H ATOM 1978 N ASN B 84 -19.467 0.613 25.120 1.00 24.92 N ATOM 1979 CA ASN B 84 -19.856 0.933 23.750 1.00 28.94 C ATOM 1980 C ASN B 84 -19.469 2.361 23.379 1.00 28.65 C ATOM 1981 O ASN B 84 -18.974 2.610 22.274 1.00 28.57 O ATOM 1982 CB ASN B 84 -21.360 0.728 23.565 1.00 29.69 C ATOM 1983 CG ASN B 84 -21.762 0.708 22.102 1.00 31.11 C ATOM 1984 OD1 ASN B 84 -21.211 -0.056 21.314 1.00 31.27 O ATOM 1985 ND2 ASN B 84 -22.718 1.554 21.733 1.00 35.01 N ATOM 1986 HD22 ASN B 84 -23.156 2.183 22.436 1.00 0.00 H ATOM 1987 HD21 ASN B 84 -23.028 1.588 20.741 1.00 0.00 H ATOM 1988 H ASN B 84 -20.193 0.314 25.802 1.00 0.00 H ATOM 1989 N ILE B 85 -19.692 3.310 24.289 1.00 26.01 N ATOM 1990 CA ILE B 85 -19.298 4.695 24.040 1.00 26.42 C ATOM 1991 C ILE B 85 -17.796 4.780 23.789 1.00 25.27 C ATOM 1992 O ILE B 85 -17.337 5.495 22.885 1.00 27.33 O ATOM 1993 CB ILE B 85 -19.751 5.581 25.222 1.00 27.97 C ATOM 1994 CG1 ILE B 85 -21.265 5.808 25.153 1.00 29.38 C ATOM 1995 CG2 ILE B 85 -19.002 6.909 25.245 1.00 29.79 C ATOM 1996 CD1 ILE B 85 -21.852 6.465 26.412 1.00 34.50 C ATOM 1997 H ILE B 85 -20.152 3.061 25.188 1.00 0.00 H ATOM 1998 N LEU B 86 -17.012 4.001 24.536 1.00 25.52 N ATOM 1999 CA LEU B 86 -15.563 4.036 24.372 1.00 23.74 C ATOM 2000 C LEU B 86 -15.128 3.321 23.098 1.00 23.09 C ATOM 2001 O LEU B 86 -14.218 3.794 22.409 1.00 22.06 O ATOM 2002 CB LEU B 86 -14.875 3.432 25.598 1.00 23.63 C ATOM 2003 CG LEU B 86 -14.905 4.372 26.810 1.00 31.36 C ATOM 2004 CD1 LEU B 86 -14.225 3.739 28.003 1.00 29.42 C ATOM 2005 CD2 LEU B 86 -14.281 5.733 26.490 1.00 30.46 C ATOM 2006 H LEU B 86 -17.437 3.364 25.240 1.00 0.00 H ATOM 2007 N LEU B 87 -15.772 2.197 22.761 1.00 23.91 N ATOM 2008 CA LEU B 87 -15.495 1.518 21.490 1.00 21.11 C ATOM 2009 C LEU B 87 -15.791 2.426 20.298 1.00 21.44 C ATOM 2010 O LEU B 87 -15.015 2.484 19.336 1.00 20.96 O ATOM 2011 CB LEU B 87 -16.316 0.230 21.395 1.00 20.97 C ATOM 2012 CG LEU B 87 -16.018 -0.712 20.223 1.00 20.69 C ATOM 2013 CD1 LEU B 87 -14.577 -1.187 20.272 1.00 22.39 C ATOM 2014 CD2 LEU B 87 -16.974 -1.912 20.237 1.00 22.52 C ATOM 2015 H LEU B 87 -16.480 1.799 23.410 1.00 0.00 H ATOM 2016 N ASP B 88 -16.932 3.116 20.335 1.00 23.86 N ATOM 2017 CA ASP B 88 -17.240 4.114 19.319 1.00 26.09 C ATOM 2018 C ASP B 88 -16.136 5.153 19.222 1.00 26.80 C ATOM 2019 O ASP B 88 -15.662 5.477 18.125 1.00 22.22 O ATOM 2020 CB ASP B 88 -18.575 4.776 19.642 1.00 28.13 C ATOM 2021 CG ASP B 88 -19.744 4.011 19.071 1.00 34.01 C ATOM 2022 OD1 ASP B 88 -19.506 3.028 18.330 1.00 35.50 O ATOM 2023 OD2 ASP B 88 -20.899 4.383 19.369 1.00 37.59 O ATOM 2024 H ASP B 88 -17.613 2.939 21.101 1.00 0.00 H ATOM 2025 N PHE B 89 -15.707 5.688 20.368 1.00 23.16 N ATOM 2026 CA PHE B 89 -14.638 6.683 20.368 1.00 27.50 C ATOM 2027 C PHE B 89 -13.388 6.149 19.673 1.00 25.26 C ATOM 2028 O PHE B 89 -12.746 6.859 18.890 1.00 23.53 O ATOM 2029 CB PHE B 89 -14.290 7.094 21.797 1.00 25.82 C ATOM 2030 CG PHE B 89 -12.950 7.767 21.916 1.00 24.10 C ATOM 2031 CD1 PHE B 89 -12.746 9.063 21.452 1.00 24.93 C ATOM 2032 CD2 PHE B 89 -11.860 7.047 22.360 1.00 29.63 C ATOM 2033 CE1 PHE B 89 -11.496 9.653 21.547 1.00 25.86 C ATOM 2034 CE2 PHE B 89 -10.607 7.622 22.433 1.00 27.51 C ATOM 2035 CZ PHE B 89 -10.417 8.918 22.023 1.00 26.03 C ATOM 2036 H PHE B 89 -16.138 5.394 21.268 1.00 0.00 H ATOM 2037 N MET B 90 -13.013 4.924 19.971 1.00 22.43 N ATOM 2038 CA MET B 90 -11.837 4.398 19.347 1.00 21.94 C ATOM 2039 C MET B 90 -11.895 4.501 17.819 1.00 23.98 C ATOM 2040 O MET B 90 -10.943 4.860 17.245 1.00 20.41 O ATOM 2041 CB MET B 90 -11.640 2.919 19.717 1.00 19.67 C ATOM 2042 CG MET B 90 -11.501 2.644 21.198 1.00 20.26 C ATOM 2043 SD MET B 90 -11.203 0.891 21.486 1.00 23.02 S ATOM 2044 CE MET B 90 -11.415 0.636 23.239 1.00 25.54 C ATOM 2045 H MET B 90 -13.559 4.350 20.645 1.00 0.00 H ATOM 2046 N TYR B 91 -13.048 4.173 17.271 1.00 20.36 N ATOM 2047 CA TYR B 91 -13.212 4.119 15.827 1.00 20.48 C ATOM 2048 C TYR B 91 -13.674 5.434 15.213 1.00 23.08 C ATOM 2049 O TYR B 91 -13.782 5.510 13.987 1.00 22.80 O ATOM 2050 CB TYR B 91 -14.214 3.024 15.456 1.00 22.21 C ATOM 2051 CG TYR B 91 -13.660 1.613 15.422 1.00 19.63 C ATOM 2052 CD1 TYR B 91 -13.130 1.085 14.255 1.00 21.34 C ATOM 2053 CD2 TYR B 91 -13.678 0.806 16.558 1.00 18.39 C ATOM 2054 CE1 TYR B 91 -12.633 -0.187 14.210 1.00 21.59 C ATOM 2055 CE2 TYR B 91 -13.173 -0.477 16.521 1.00 17.73 C ATOM 2056 CZ TYR B 91 -12.654 -0.970 15.334 1.00 21.33 C ATOM 2057 OH TYR B 91 -12.149 -2.250 15.265 1.00 21.96 O ATOM 2058 HH TYR B 91 -11.825 -2.427 14.346 1.00 0.00 H ATOM 2059 H TYR B 91 -13.857 3.948 17.884 1.00 0.00 H ATOM 2060 N THR B 92 -13.982 6.457 16.015 1.00 21.58 N ATOM 2061 CA THR B 92 -14.527 7.694 15.464 1.00 22.54 C ATOM 2062 C THR B 92 -13.833 8.971 15.905 1.00 24.30 C ATOM 2063 O THR B 92 -14.021 9.992 15.227 1.00 24.62 O ATOM 2064 CB THR B 92 -16.022 7.850 15.797 1.00 23.46 C ATOM 2065 OG1 THR B 92 -16.191 8.052 17.207 1.00 24.12 O ATOM 2066 CG2 THR B 92 -16.821 6.651 15.332 1.00 22.87 C ATOM 2067 HG1 THR B 92 -17.154 8.151 17.412 1.00 0.00 H ATOM 2068 H THR B 92 -13.832 6.371 17.041 1.00 0.00 H ATOM 2069 N SER B 93 -13.072 8.971 17.007 1.00 25.95 N ATOM 2070 CA SER B 93 -12.473 10.163 17.610 1.00 26.70 C ATOM 2071 C SER B 93 -13.518 11.049 18.277 1.00 26.41 C ATOM 2072 O SER B 93 -13.198 12.167 18.675 1.00 27.04 O ATOM 2073 CB SER B 93 -11.683 11.018 16.600 1.00 24.79 C ATOM 2074 OG SER B 93 -10.707 10.263 15.893 1.00 29.09 O ATOM 2075 HG SER B 93 -10.229 10.855 15.260 1.00 0.00 H ATOM 2076 H SER B 93 -12.893 8.056 17.469 1.00 0.00 H ATOM 2077 N ARG B 94 -14.765 10.596 18.363 1.00 27.32 N ATOM 2078 CA ARG B 94 -15.859 11.360 18.944 1.00 27.50 C ATOM 2079 C ARG B 94 -16.295 10.694 20.239 1.00 27.57 C ATOM 2080 O ARG B 94 -16.593 9.497 20.251 1.00 26.63 O ATOM 2081 CB ARG B 94 -17.037 11.444 17.977 1.00 28.90 C ATOM 2082 CG ARG B 94 -16.727 12.173 16.690 1.00 37.87 C ATOM 2083 CD ARG B 94 -17.873 12.039 15.700 1.00 39.67 C ATOM 2084 H ARG B 94 -14.970 9.645 17.995 1.00 0.00 H ATOM 2085 N LEU B 95 -16.342 11.468 21.315 1.00 31.62 N ATOM 2086 CA LEU B 95 -16.633 10.955 22.648 1.00 31.98 C ATOM 2087 C LEU B 95 -17.958 11.526 23.134 1.00 38.00 C ATOM 2088 O LEU B 95 -18.093 12.746 23.286 1.00 38.38 O ATOM 2089 CB LEU B 95 -15.513 11.315 23.619 1.00 29.21 C ATOM 2090 CG LEU B 95 -15.708 10.787 25.039 1.00 29.49 C ATOM 2091 CD1 LEU B 95 -15.710 9.267 25.031 1.00 28.06 C ATOM 2092 CD2 LEU B 95 -14.627 11.334 25.953 1.00 36.40 C ATOM 2093 H LEU B 95 -16.163 12.486 21.203 1.00 0.00 H ATOM 2094 N ASN B 96 -18.921 10.640 23.400 1.00 38.07 N ATOM 2095 CA ASN B 96 -20.281 11.040 23.759 1.00 37.34 C ATOM 2096 C ASN B 96 -20.401 11.092 25.279 1.00 39.13 C ATOM 2097 O ASN B 96 -20.897 10.171 25.930 1.00 40.00 O ATOM 2098 CB ASN B 96 -21.294 10.086 23.137 1.00 39.54 C ATOM 2099 CG ASN B 96 -22.723 10.403 23.537 1.00 46.90 C ATOM 2100 OD1 ASN B 96 -23.075 11.560 23.764 1.00 50.80 O ATOM 2101 ND2 ASN B 96 -23.558 9.373 23.611 1.00 48.58 N ATOM 2102 HD22 ASN B 96 -23.217 8.411 23.411 1.00 0.00 H ATOM 2103 HD21 ASN B 96 -24.553 9.528 23.869 1.00 0.00 H ATOM 2104 H ASN B 96 -18.695 9.626 23.350 1.00 0.00 H ATOM 2105 N LEU B 97 -19.940 12.207 25.845 1.00 39.56 N ATOM 2106 CA LEU B 97 -20.056 12.468 27.275 1.00 42.14 C ATOM 2107 C LEU B 97 -21.356 13.216 27.546 1.00 40.74 C ATOM 2108 O LEU B 97 -21.598 14.281 26.967 1.00 39.76 O ATOM 2109 CB LEU B 97 -18.865 13.279 27.783 1.00 42.79 C ATOM 2110 CG LEU B 97 -17.505 12.590 27.910 1.00 42.48 C ATOM 2111 CD1 LEU B 97 -16.500 13.519 28.581 1.00 41.91 C ATOM 2112 CD2 LEU B 97 -17.619 11.275 28.672 1.00 40.81 C ATOM 2113 H LEU B 97 -19.479 12.919 25.243 1.00 0.00 H ATOM 2114 N ARG B 98 -22.186 12.660 28.425 1.00 42.85 N ATOM 2115 CA ARG B 98 -23.422 13.288 28.866 1.00 42.58 C ATOM 2116 C ARG B 98 -23.455 13.283 30.388 1.00 43.05 C ATOM 2117 O ARG B 98 -22.640 12.629 31.045 1.00 40.54 O ATOM 2118 CB ARG B 98 -24.657 12.567 28.300 1.00 44.99 C ATOM 2119 CG ARG B 98 -24.625 12.328 26.792 1.00 48.46 C ATOM 2120 CD ARG B 98 -26.031 12.340 26.210 1.00 53.88 C ATOM 2121 NE ARG B 98 -26.044 12.055 24.779 1.00 58.19 N ATOM 2122 CZ ARG B 98 -25.742 12.943 23.836 1.00 62.39 C ATOM 2123 NH1 ARG B 98 -25.400 14.181 24.168 1.00 66.63 N ATOM 2124 NH2 ARG B 98 -25.781 12.593 22.559 1.00 61.70 N ATOM 2125 HE ARG B 98 -26.306 11.095 24.477 1.00 0.00 H ATOM 2126 HH12 ARG B 98 -25.165 14.872 23.427 1.00 0.00 H ATOM 2127 HH11 ARG B 98 -25.367 14.461 25.169 1.00 0.00 H ATOM 2128 HH22 ARG B 98 -25.545 13.288 21.822 1.00 0.00 H ATOM 2129 HH21 ARG B 98 -26.048 11.624 22.293 1.00 0.00 H ATOM 2130 H ARG B 98 -21.938 11.729 28.817 1.00 0.00 H ATOM 2131 N VAL B 99 -24.407 14.030 30.957 1.00 44.86 N ATOM 2132 CA VAL B 99 -24.586 13.996 32.405 1.00 47.77 C ATOM 2133 C VAL B 99 -24.964 12.596 32.863 1.00 44.41 C ATOM 2134 O VAL B 99 -24.607 12.178 33.970 1.00 44.39 O ATOM 2135 CB VAL B 99 -25.639 15.033 32.852 1.00 52.26 C ATOM 2136 CG1 VAL B 99 -25.153 16.444 32.579 1.00 53.53 C ATOM 2137 CG2 VAL B 99 -26.973 14.777 32.161 1.00 54.82 C ATOM 2138 H VAL B 99 -25.018 14.633 30.370 1.00 0.00 H ATOM 2139 N GLY B 100 -25.674 11.843 32.018 1.00 46.69 N ATOM 2140 CA GLY B 100 -26.178 10.542 32.416 1.00 46.45 C ATOM 2141 C GLY B 100 -25.179 9.411 32.321 1.00 44.96 C ATOM 2142 O GLY B 100 -25.400 8.359 32.928 1.00 46.27 O ATOM 2143 H GLY B 100 -25.869 12.195 31.059 1.00 0.00 H ATOM 2144 N ASN B 101 -24.083 9.598 31.580 1.00 43.84 N ATOM 2145 CA ASN B 101 -23.102 8.539 31.384 1.00 39.07 C ATOM 2146 C ASN B 101 -21.693 8.900 31.844 1.00 39.38 C ATOM 2147 O ASN B 101 -20.800 8.051 31.749 1.00 39.75 O ATOM 2148 CB ASN B 101 -23.068 8.109 29.904 1.00 35.78 C ATOM 2149 CG ASN B 101 -22.606 9.220 28.965 1.00 38.54 C ATOM 2150 OD1 ASN B 101 -21.735 10.023 29.302 1.00 39.03 O ATOM 2151 ND2 ASN B 101 -23.177 9.249 27.764 1.00 42.36 N ATOM 2152 HD22 ASN B 101 -23.909 8.552 27.519 1.00 0.00 H ATOM 2153 HD21 ASN B 101 -22.891 9.969 27.070 1.00 0.00 H ATOM 2154 H ASN B 101 -23.926 10.523 31.132 1.00 0.00 H ATOM 2155 N ILE B 102 -21.470 10.115 32.354 1.00 40.59 N ATOM 2156 CA ILE B 102 -20.113 10.578 32.653 1.00 40.21 C ATOM 2157 C ILE B 102 -19.403 9.617 33.604 1.00 43.32 C ATOM 2158 O ILE B 102 -18.227 9.284 33.415 1.00 40.49 O ATOM 2159 CB ILE B 102 -20.146 12.010 33.220 1.00 44.40 C ATOM 2160 CG1 ILE B 102 -18.739 12.453 33.631 1.00 44.60 C ATOM 2161 CG2 ILE B 102 -21.122 12.119 34.388 1.00 47.91 C ATOM 2162 CD1 ILE B 102 -17.713 12.382 32.516 1.00 44.86 C ATOM 2163 H ILE B 102 -22.276 10.744 32.542 1.00 0.00 H ATOM 2164 N MET B 103 -20.105 9.158 34.641 1.00 44.50 N ATOM 2165 CA MET B 103 -19.469 8.308 35.641 1.00 44.43 C ATOM 2166 C MET B 103 -19.115 6.947 35.056 1.00 39.25 C ATOM 2167 O MET B 103 -18.012 6.428 35.274 1.00 33.79 O ATOM 2168 CB MET B 103 -20.388 8.162 36.853 1.00 49.06 C ATOM 2169 CG MET B 103 -20.625 9.464 37.603 1.00 56.81 C ATOM 2170 SD MET B 103 -19.249 9.901 38.679 1.00 67.47 S ATOM 2171 CE MET B 103 -18.408 11.134 37.708 1.00 40.30 C ATOM 2172 H MET B 103 -21.110 9.407 34.737 1.00 0.00 H ATOM 2173 N ALA B 104 -20.038 6.358 34.295 1.00 34.62 N ATOM 2174 CA ALA B 104 -19.786 5.046 33.717 1.00 37.56 C ATOM 2175 C ALA B 104 -18.706 5.110 32.645 1.00 36.36 C ATOM 2176 O ALA B 104 -17.915 4.170 32.507 1.00 34.73 O ATOM 2177 CB ALA B 104 -21.084 4.469 33.151 1.00 39.45 C ATOM 2178 H ALA B 104 -20.942 6.838 34.114 1.00 0.00 H ATOM 2179 N VAL B 105 -18.644 6.212 31.892 1.00 33.41 N ATOM 2180 CA VAL B 105 -17.632 6.329 30.846 1.00 31.54 C ATOM 2181 C VAL B 105 -16.251 6.541 31.454 1.00 32.63 C ATOM 2182 O VAL B 105 -15.262 5.952 31.000 1.00 28.60 O ATOM 2183 CB VAL B 105 -17.999 7.460 29.869 1.00 34.74 C ATOM 2184 CG1 VAL B 105 -16.850 7.706 28.894 1.00 31.51 C ATOM 2185 CG2 VAL B 105 -19.272 7.114 29.122 1.00 33.25 C ATOM 2186 H VAL B 105 -19.318 6.988 32.051 1.00 0.00 H ATOM 2187 N MET B 106 -16.150 7.321 32.529 1.00 35.68 N ATOM 2188 CA MET B 106 -14.869 7.572 33.178 1.00 31.12 C ATOM 2189 C MET B 106 -14.297 6.319 33.794 1.00 30.29 C ATOM 2190 O MET B 106 -13.168 5.961 33.548 1.00 30.44 O ATOM 2191 CB MET B 106 -14.966 8.620 34.295 1.00 38.59 C ATOM 2192 CG MET B 106 -13.639 9.215 34.677 1.00 33.02 C ATOM 2193 SD MET B 106 -13.837 10.552 35.899 1.00 47.56 S ATOM 2194 CE MET B 106 -12.268 11.319 35.844 1.00 38.52 C ATOM 2195 H MET B 106 -17.008 7.763 32.916 1.00 0.00 H ATOM 2196 N ALA B 107 -15.107 5.658 34.568 1.00 30.80 N ATOM 2197 CA ALA B 107 -14.657 4.416 35.193 1.00 34.78 C ATOM 2198 C ALA B 107 -14.221 3.393 34.152 1.00 33.30 C ATOM 2199 O ALA B 107 -13.223 2.687 34.343 1.00 27.83 O ATOM 2200 CB ALA B 107 -15.765 3.834 36.071 1.00 34.59 C ATOM 2201 H ALA B 107 -16.070 6.011 34.741 1.00 0.00 H ATOM 2202 N THR B 108 -14.955 3.294 33.044 1.00 28.08 N ATOM 2203 CA THR B 108 -14.583 2.328 32.019 1.00 26.66 C ATOM 2204 C THR B 108 -13.282 2.738 31.337 1.00 31.13 C ATOM 2205 O THR B 108 -12.439 1.887 31.024 1.00 26.69 O ATOM 2206 CB THR B 108 -15.725 2.184 31.014 1.00 33.49 C ATOM 2207 OG1 THR B 108 -16.930 1.873 31.725 1.00 34.93 O ATOM 2208 CG2 THR B 108 -15.434 1.067 30.005 1.00 31.61 C ATOM 2209 HG1 THR B 108 -17.133 2.603 32.362 1.00 0.00 H ATOM 2210 H THR B 108 -15.788 3.902 32.912 1.00 0.00 H ATOM 2211 N ALA B 109 -13.082 4.042 31.136 1.00 27.14 N ATOM 2212 CA ALA B 109 -11.839 4.518 30.537 1.00 25.84 C ATOM 2213 C ALA B 109 -10.642 4.268 31.450 1.00 28.74 C ATOM 2214 O ALA B 109 -9.534 4.015 30.966 1.00 27.30 O ATOM 2215 CB ALA B 109 -11.965 6.003 30.189 1.00 26.67 C ATOM 2216 H ALA B 109 -13.818 4.725 31.408 1.00 0.00 H ATOM 2217 N MET B 110 -10.861 4.270 32.750 1.00 28.04 N ATOM 2218 CA MET B 110 -9.768 3.973 33.603 1.00 26.96 C ATOM 2219 C MET B 110 -9.431 2.477 33.467 1.00 25.95 C ATOM 2220 O MET B 110 -8.327 2.147 33.394 1.00 30.14 O ATOM 2221 CB MET B 110 -10.155 4.249 35.050 1.00 28.25 C ATOM 2222 CG MET B 110 -10.523 5.689 35.299 1.00 31.87 C ATOM 2223 SD MET B 110 -11.005 6.031 37.016 1.00 36.61 S ATOM 2224 CE MET B 110 -9.737 5.156 37.970 1.00 38.62 C ATOM 2225 H MET B 110 -11.803 4.482 33.137 1.00 0.00 H ATOM 2226 N TYR B 111 -10.421 1.621 33.480 1.00 29.14 N ATOM 2227 CA TYR B 111 -10.183 0.190 33.347 1.00 26.34 C ATOM 2228 C TYR B 111 -9.508 -0.143 32.020 1.00 23.82 C ATOM 2229 O TYR B 111 -8.656 -1.034 31.965 1.00 26.88 O ATOM 2230 CB TYR B 111 -11.510 -0.552 33.497 1.00 28.08 C ATOM 2231 CG TYR B 111 -11.487 -2.020 33.140 1.00 26.95 C ATOM 2232 CD1 TYR B 111 -10.876 -2.946 33.973 1.00 30.54 C ATOM 2233 CD2 TYR B 111 -12.092 -2.482 31.975 1.00 28.02 C ATOM 2234 CE1 TYR B 111 -10.862 -4.289 33.664 1.00 24.09 C ATOM 2235 CE2 TYR B 111 -12.084 -3.824 31.652 1.00 23.21 C ATOM 2236 CZ TYR B 111 -11.464 -4.725 32.501 1.00 23.93 C ATOM 2237 OH TYR B 111 -11.451 -6.060 32.205 1.00 25.45 O ATOM 2238 HH TYR B 111 -10.968 -6.550 32.917 1.00 0.00 H ATOM 2239 H TYR B 111 -11.395 1.969 33.587 1.00 0.00 H ATOM 2240 N LEU B 112 -9.857 0.571 30.953 1.00 23.50 N ATOM 2241 CA LEU B 112 -9.260 0.329 29.644 1.00 26.18 C ATOM 2242 C LEU B 112 -7.928 1.046 29.449 1.00 27.53 C ATOM 2243 O LEU B 112 -7.281 0.849 28.413 1.00 25.58 O ATOM 2244 CB LEU B 112 -10.229 0.751 28.533 1.00 29.40 C ATOM 2245 CG LEU B 112 -11.581 0.042 28.468 1.00 25.37 C ATOM 2246 CD1 LEU B 112 -12.381 0.587 27.287 1.00 24.42 C ATOM 2247 CD2 LEU B 112 -11.413 -1.473 28.368 1.00 22.09 C ATOM 2248 H LEU B 112 -10.572 1.319 31.054 1.00 0.00 H ATOM 2249 N GLN B 113 -7.501 1.857 30.418 1.00 27.49 N ATOM 2250 CA GLN B 113 -6.262 2.631 30.340 1.00 27.36 C ATOM 2251 C GLN B 113 -6.207 3.464 29.059 1.00 29.58 C ATOM 2252 O GLN B 113 -5.342 3.286 28.204 1.00 28.22 O ATOM 2253 CB GLN B 113 -5.029 1.729 30.475 1.00 29.13 C ATOM 2254 CG GLN B 113 -5.177 0.628 31.518 1.00 31.39 C ATOM 2255 CD GLN B 113 -4.103 -0.442 31.405 1.00 36.10 C ATOM 2256 OE1 GLN B 113 -4.328 -1.599 31.760 1.00 38.56 O ATOM 2257 NE2 GLN B 113 -2.931 -0.060 30.909 1.00 35.99 N ATOM 2258 HE22 GLN B 113 -2.785 0.929 30.622 1.00 0.00 H ATOM 2259 HE21 GLN B 113 -2.159 -0.750 30.808 1.00 0.00 H ATOM 2260 H GLN B 113 -8.081 1.944 31.277 1.00 0.00 H ATOM 2261 N MET B 114 -7.154 4.396 28.956 1.00 30.76 N ATOM 2262 CA MET B 114 -7.195 5.427 27.917 1.00 29.18 C ATOM 2263 C MET B 114 -7.131 6.763 28.648 1.00 33.32 C ATOM 2264 O MET B 114 -8.161 7.370 28.945 1.00 31.69 O ATOM 2265 CB MET B 114 -8.447 5.301 27.059 1.00 28.74 C ATOM 2266 CG MET B 114 -8.688 3.883 26.534 1.00 25.37 C ATOM 2267 SD MET B 114 -10.386 3.557 25.996 1.00 27.10 S ATOM 2268 CE MET B 114 -10.569 4.703 24.625 1.00 25.59 C ATOM 2269 H MET B 114 -7.917 4.391 29.663 1.00 0.00 H ATOM 2270 N GLU B 115 -5.937 7.149 29.025 1.00 39.18 N ATOM 2271 CA GLU B 115 -5.678 8.319 29.834 1.00 45.89 C ATOM 2272 C GLU B 115 -6.198 9.652 29.315 1.00 45.83 C ATOM 2273 O GLU B 115 -6.679 10.464 30.058 1.00 45.64 O ATOM 2274 CB GLU B 115 -4.196 8.366 30.228 1.00 50.40 C ATOM 2275 CG GLU B 115 -3.199 8.095 29.102 1.00 52.33 C ATOM 2276 CD GLU B 115 -2.356 6.821 29.291 1.00 54.54 C ATOM 2277 OE1 GLU B 115 -2.893 5.803 29.704 1.00 53.66 O ATOM 2278 OE2 GLU B 115 -1.169 6.856 29.039 1.00 55.22 O ATOM 2279 H GLU B 115 -5.123 6.577 28.723 1.00 0.00 H ATOM 2280 N HIS B 116 -6.105 9.876 28.022 1.00 45.47 N ATOM 2281 CA HIS B 116 -6.634 11.114 27.461 1.00 43.38 C ATOM 2282 C HIS B 116 -8.116 11.212 27.685 1.00 40.70 C ATOM 2283 O HIS B 116 -8.618 12.266 28.001 1.00 39.18 O ATOM 2284 CB HIS B 116 -6.318 11.250 25.983 1.00 45.00 C ATOM 2285 H HIS B 116 -5.656 9.172 27.402 1.00 0.00 H ATOM 2286 N VAL B 117 -8.830 10.123 27.567 1.00 36.59 N ATOM 2287 CA VAL B 117 -10.271 10.137 27.799 1.00 28.24 C ATOM 2288 C VAL B 117 -10.565 10.372 29.275 1.00 32.12 C ATOM 2289 O VAL B 117 -11.435 11.179 29.625 1.00 38.30 O ATOM 2290 CB VAL B 117 -10.915 8.834 27.297 1.00 29.26 C ATOM 2291 CG1 VAL B 117 -12.350 8.730 27.783 1.00 27.78 C ATOM 2292 CG2 VAL B 117 -10.843 8.755 25.777 1.00 26.06 C ATOM 2293 H VAL B 117 -8.363 9.232 27.303 1.00 0.00 H ATOM 2294 N VAL B 118 -9.788 9.693 30.132 1.00 30.40 N ATOM 2295 CA VAL B 118 -9.957 9.932 31.569 1.00 30.26 C ATOM 2296 C VAL B 118 -9.647 11.405 31.818 1.00 34.76 C ATOM 2297 O VAL B 118 -10.386 12.039 32.460 1.00 34.51 O ATOM 2298 CB VAL B 118 -9.127 9.008 32.477 1.00 29.86 C ATOM 2299 CG1 VAL B 118 -9.359 9.405 33.926 1.00 31.25 C ATOM 2300 CG2 VAL B 118 -9.594 7.606 32.314 1.00 32.35 C ATOM 2301 H VAL B 118 -9.082 9.013 29.785 1.00 0.00 H ATOM 2302 N ASP B 119 -8.566 11.923 31.270 1.00 36.32 N ATOM 2303 CA ASP B 119 -8.183 13.322 31.449 1.00 40.23 C ATOM 2304 C ASP B 119 -9.279 14.269 30.972 1.00 40.83 C ATOM 2305 O ASP B 119 -9.522 15.314 31.592 1.00 39.09 O ATOM 2306 CB ASP B 119 -6.875 13.601 30.706 1.00 45.72 C ATOM 2307 CG ASP B 119 -6.259 14.933 31.082 1.00 57.15 C ATOM 2308 OD1 ASP B 119 -5.016 15.048 31.040 1.00 60.94 O ATOM 2309 OD2 ASP B 119 -7.015 15.865 31.428 1.00 61.50 O ATOM 2310 H ASP B 119 -7.961 11.311 30.686 1.00 0.00 H ATOM 2311 N THR B 120 -9.950 13.921 29.871 1.00 36.67 N ATOM 2312 CA THR B 120 -11.040 14.753 29.373 1.00 37.37 C ATOM 2313 C THR B 120 -12.281 14.605 30.248 1.00 37.35 C ATOM 2314 O THR B 120 -13.004 15.577 30.479 1.00 36.70 O ATOM 2315 CB THR B 120 -11.333 14.388 27.916 1.00 42.34 C ATOM 2316 OG1 THR B 120 -10.312 14.940 27.083 1.00 43.66 O ATOM 2317 CG2 THR B 120 -12.691 14.920 27.475 1.00 43.61 C ATOM 2318 HG1 THR B 120 -9.434 14.570 27.350 1.00 0.00 H ATOM 2319 H THR B 120 -9.693 13.050 29.364 1.00 0.00 H ATOM 2320 N CYS B 121 -12.553 13.394 30.738 1.00 35.56 N ATOM 2321 CA CYS B 121 -13.599 13.222 31.746 1.00 36.82 C ATOM 2322 C CYS B 121 -13.313 14.067 32.976 1.00 39.69 C ATOM 2323 O CYS B 121 -14.238 14.607 33.595 1.00 38.90 O ATOM 2324 CB CYS B 121 -13.715 11.748 32.155 1.00 33.72 C ATOM 2325 SG CYS B 121 -14.367 10.640 30.866 1.00 32.95 S ATOM 2326 H CYS B 121 -12.018 12.568 30.401 1.00 0.00 H ATOM 2327 N ARG B 122 -12.066 14.253 33.312 1.00 39.94 N ATOM 2328 CA ARG B 122 -11.797 15.076 34.465 1.00 44.08 C ATOM 2329 C ARG B 122 -12.165 16.509 34.163 1.00 43.78 C ATOM 2330 O ARG B 122 -12.737 17.163 34.991 1.00 43.80 O ATOM 2331 CB ARG B 122 -10.352 15.037 34.875 1.00 48.69 C ATOM 2332 CG ARG B 122 -10.005 13.915 35.836 1.00 53.70 C ATOM 2333 CD ARG B 122 -8.492 13.861 36.021 1.00 58.51 C ATOM 2334 NE ARG B 122 -8.077 13.635 37.393 1.00 63.90 N ATOM 2335 CZ ARG B 122 -7.176 14.343 38.056 1.00 65.29 C ATOM 2336 NH1 ARG B 122 -6.549 15.354 37.503 1.00 66.59 N ATOM 2337 NH2 ARG B 122 -6.882 14.015 39.265 1.00 65.29 N ATOM 2338 HE ARG B 122 -8.527 12.847 37.901 1.00 0.00 H ATOM 2339 HH12 ARG B 122 -5.846 15.892 38.049 1.00 0.00 H ATOM 2340 HH11 ARG B 122 -6.755 15.618 36.518 1.00 0.00 H ATOM 2341 HH22 ARG B 122 -6.176 14.564 39.796 1.00 0.00 H ATOM 2342 HH21 ARG B 122 -7.351 13.201 39.712 1.00 0.00 H ATOM 2343 H ARG B 122 -11.292 13.822 32.767 1.00 0.00 H ATOM 2344 N LYS B 123 -11.817 16.988 32.973 1.00 39.77 N ATOM 2345 CA LYS B 123 -12.147 18.370 32.667 1.00 41.58 C ATOM 2346 C LYS B 123 -13.648 18.566 32.508 1.00 42.37 C ATOM 2347 O LYS B 123 -14.162 19.653 32.791 1.00 44.40 O ATOM 2348 CB LYS B 123 -11.392 18.800 31.413 1.00 47.97 C ATOM 2349 CG LYS B 123 -9.922 19.091 31.670 1.00 51.75 C ATOM 2350 CD LYS B 123 -9.066 18.852 30.443 1.00 53.41 C ATOM 2351 CE LYS B 123 -7.655 19.377 30.664 1.00 57.29 C ATOM 2352 NZ LYS B 123 -6.688 18.292 30.975 1.00 59.29 N ATOM 2353 HZ1 LYS B 123 -6.987 17.800 31.841 1.00 0.00 H ATOM 2354 HZ2 LYS B 123 -6.660 17.617 30.184 1.00 0.00 H ATOM 2355 HZ3 LYS B 123 -5.743 18.702 31.117 1.00 0.00 H ATOM 2356 H LYS B 123 -11.322 16.391 32.280 1.00 0.00 H ATOM 2357 N PHE B 124 -14.365 17.531 32.065 1.00 40.96 N ATOM 2358 CA PHE B 124 -15.816 17.626 31.936 1.00 44.39 C ATOM 2359 C PHE B 124 -16.475 17.797 33.298 1.00 46.89 C ATOM 2360 O PHE B 124 -17.346 18.657 33.473 1.00 46.75 O ATOM 2361 CB PHE B 124 -16.354 16.384 31.228 1.00 44.48 C ATOM 2362 CG PHE B 124 -17.805 16.474 30.853 1.00 47.67 C ATOM 2363 CD1 PHE B 124 -18.791 16.054 31.730 1.00 41.63 C ATOM 2364 CD2 PHE B 124 -18.182 16.970 29.614 1.00 40.92 C ATOM 2365 CE1 PHE B 124 -20.129 16.134 31.382 1.00 46.18 C ATOM 2366 CE2 PHE B 124 -19.516 17.051 29.263 1.00 42.72 C ATOM 2367 CZ PHE B 124 -20.490 16.631 30.144 1.00 47.89 C ATOM 2368 H PHE B 124 -13.884 16.645 31.808 1.00 0.00 H ATOM 2369 N ILE B 125 -16.056 16.907 34.180 1.00 42.63 N ATOM 2370 CA ILE B 125 -16.580 17.096 35.641 1.00 48.95 C ATOM 2371 C ILE B 125 -16.361 18.617 36.225 1.00 46.82 C ATOM 2372 O ILE B 125 -17.144 19.363 36.795 1.00 51.08 O ATOM 2373 CB ILE B 125 -15.889 16.060 36.547 1.00 43.28 C ATOM 2374 CG1 ILE B 125 -16.398 14.656 36.226 1.00 41.58 C ATOM 2375 CG2 ILE B 125 -16.096 16.397 38.029 1.00 45.11 C ATOM 2376 CD1 ILE B 125 -17.896 14.530 36.319 1.00 42.56 C ATOM 2377 H ILE B 125 -15.417 16.129 33.919 1.00 0.00 H ATOM 2378 N LYS B 126 -15.186 19.067 35.880 1.00 46.47 N ATOM 2379 CA LYS B 126 -14.807 20.380 36.390 1.00 48.64 C ATOM 2380 C LYS B 126 -15.596 21.499 35.716 1.00 51.97 C ATOM 2381 O LYS B 126 -15.932 22.500 36.359 1.00 52.67 O ATOM 2382 CB LYS B 126 -13.306 20.548 36.187 1.00 47.96 C ATOM 2383 CG LYS B 126 -12.710 21.886 36.521 1.00 50.08 C ATOM 2384 CD LYS B 126 -11.232 21.811 36.196 1.00 50.74 C ATOM 2385 CE LYS B 126 -10.422 22.884 36.876 1.00 51.20 C ATOM 2386 NZ LYS B 126 -8.998 22.450 36.971 1.00 59.07 N ATOM 2387 HZ1 LYS B 126 -8.941 21.571 37.523 1.00 0.00 H ATOM 2388 HZ2 LYS B 126 -8.622 22.286 36.015 1.00 0.00 H ATOM 2389 HZ3 LYS B 126 -8.441 23.192 37.441 1.00 0.00 H ATOM 2390 H LYS B 126 -14.549 18.515 35.270 1.00 0.00 H ATOM 2391 N ALA B 127 -15.896 21.354 34.422 1.00 49.22 N ATOM 2392 CA ALA B 127 -16.685 22.348 33.701 1.00 50.78 C ATOM 2393 C ALA B 127 -18.175 22.271 34.009 1.00 53.87 C ATOM 2394 O ALA B 127 -18.918 23.168 33.598 1.00 59.45 O ATOM 2395 CB ALA B 127 -16.474 22.204 32.189 1.00 49.28 C ATOM 2396 H ALA B 127 -15.558 20.511 33.915 1.00 0.00 H ATOM 2397 N SER B 128 -18.628 21.231 34.702 1.00 51.19 N ATOM 2398 CA SER B 128 -20.022 21.129 35.121 1.00 67.25 C ATOM 2399 C SER B 128 -20.296 22.033 36.319 1.00 66.57 C ATOM 2400 O SER B 128 -19.579 21.990 37.320 1.00 65.04 O ATOM 2401 CB SER B 128 -20.385 19.683 35.463 1.00 65.99 C ATOM 2402 OG SER B 128 -20.531 18.899 34.293 1.00 65.36 O ATOM 2403 HG SER B 128 -19.679 18.900 33.788 1.00 0.00 H ATOM 2404 H SER B 128 -17.969 20.467 34.953 1.00 0.00 H TER 2405 SER B 128 HETATM 2406 O HOH 1 -2.851 25.166 -13.717 1.00 34.22 O HETATM 2407 O HOH 2 -14.471 -3.202 -5.258 1.00 39.03 O HETATM 2408 O HOH 3 14.163 -4.506 -4.546 1.00 37.67 O HETATM 2409 O HOH 4 8.686 -5.866 19.369 1.00 46.61 O HETATM 2410 O HOH 5 -2.777 -7.691 -9.950 1.00 35.08 O HETATM 2411 O HOH 6 8.574 -8.680 16.326 1.00 52.93 O HETATM 2412 O HOH 7 7.596 0.301 4.649 1.00 34.82 O HETATM 2413 O HOH 8 -3.567 -14.124 7.640 1.00 34.23 O HETATM 2414 O HOH 9 5.791 8.272 5.311 1.00 34.37 O HETATM 2415 O HOH 10 -5.403 5.757 0.788 1.00 28.26 O HETATM 2416 O HOH 11 -6.061 -7.096 9.435 1.00 25.42 O HETATM 2417 O HOH 12 -6.351 -2.108 11.771 1.00 21.72 O HETATM 2418 O HOH 13 4.934 -15.794 -4.059 1.00 42.89 O HETATM 2419 O HOH 14 8.045 6.792 3.376 1.00 58.70 O HETATM 2420 O HOH 15 5.914 -3.344 6.229 1.00 31.23 O HETATM 2421 O HOH 16 5.352 0.739 -10.221 1.00 39.62 O HETATM 2422 O HOH 17 -10.309 -3.766 -8.190 1.00 38.61 O HETATM 2423 O HOH 18 -14.270 -15.611 5.961 1.00 45.93 O HETATM 2424 O HOH 19 1.863 7.244 11.534 1.00 22.44 O HETATM 2425 O HOH 20 -6.129 13.044 14.155 1.00 30.54 O HETATM 2426 O HOH 21 -6.699 -11.543 9.705 1.00 34.93 O HETATM 2427 O HOH 22 -6.045 -1.905 -10.196 1.00 35.13 O HETATM 2428 O HOH 23 -2.169 -15.800 -3.140 1.00 53.56 O HETATM 2429 O HOH 24 1.528 -14.226 5.607 1.00 33.63 O HETATM 2430 O HOH 25 8.855 -4.689 -18.210 1.00 38.96 O HETATM 2431 O HOH 26 5.759 7.863 1.604 1.00 28.06 O HETATM 2432 O HOH 27 -5.995 -13.710 -6.412 1.00 54.70 O HETATM 2433 O HOH 28 -10.847 -16.490 1.709 1.00 34.78 O HETATM 2434 O HOH 29 10.543 9.608 -11.420 1.00 30.93 O HETATM 2435 O HOH 30 -6.576 3.876 -10.650 1.00 47.44 O HETATM 2436 O HOH 31 -19.886 18.593 22.804 1.00 33.78 O HETATM 2437 O HOH 32 8.164 -13.341 -6.201 1.00 46.49 O HETATM 2438 O HOH 33 0.551 -13.750 8.436 1.00 40.56 O HETATM 2439 O HOH 34 2.773 10.753 10.608 1.00 40.12 O HETATM 2440 O HOH 35 -14.186 -11.386 7.755 1.00 21.51 O HETATM 2441 O HOH 36 -14.374 -7.512 -5.335 1.00 38.14 O HETATM 2442 O HOH 37 -8.885 12.677 15.089 1.00 27.43 O HETATM 2443 O HOH 38 5.737 -6.332 9.578 1.00 35.58 O HETATM 2444 O HOH 39 -1.751 -13.123 -5.566 1.00 39.36 O HETATM 2445 O HOH 40 6.466 0.110 10.052 1.00 30.42 O HETATM 2446 O HOH 41 7.770 -6.213 5.929 1.00 39.04 O HETATM 2447 O HOH 42 6.113 -13.275 5.742 1.00 47.00 O HETATM 2448 O HOH 43 -5.697 11.552 21.041 1.00 32.87 O HETATM 2449 O HOH 44 4.628 -12.099 14.342 1.00 49.55 O HETATM 2450 O HOH 45 -13.258 4.473 -0.060 1.00 33.74 O HETATM 2451 O HOH 46 -15.432 0.527 -4.857 1.00 47.55 O HETATM 2452 O HOH 47 -4.901 -8.353 12.041 1.00 36.82 O HETATM 2453 O HOH 48 -12.960 -0.886 -5.267 1.00 42.94 O HETATM 2454 O HOH 49 4.479 6.516 11.965 1.00 30.99 O HETATM 2455 O HOH 50 0.064 9.245 12.168 1.00 27.04 O HETATM 2456 O HOH 51 -6.404 6.174 11.890 1.00 43.46 O HETATM 2457 O HOH 52 10.777 2.771 4.405 1.00 47.00 O HETATM 2458 O HOH 53 -10.905 2.465 -8.620 1.00 57.60 O HETATM 2459 O HOH 54 7.009 3.877 7.987 1.00 34.55 O HETATM 2460 O HOH 55 5.249 -10.041 -7.715 1.00 39.27 O HETATM 2461 O HOH 56 13.113 -0.875 -6.388 1.00 42.56 O HETATM 2462 O HOH 57 1.138 -11.472 -10.242 1.00 43.34 O HETATM 2463 O HOH 58 13.236 5.597 -0.606 1.00 51.23 O HETATM 2464 O HOH 59 -2.725 -17.783 1.072 1.00 40.86 O HETATM 2465 O HOH 60 9.334 -6.202 11.921 1.00 30.09 O HETATM 2466 O HOH 61 2.789 -8.294 -15.834 1.00 31.81 O HETATM 2467 O HOH 62 -7.929 7.199 -2.679 1.00 38.02 O HETATM 2468 O HOH 63 -18.384 -7.875 1.067 1.00 40.69 O HETATM 2469 O HOH 64 11.018 -2.022 15.124 1.00 37.24 O HETATM 2470 O HOH 65 1.951 -11.548 13.108 1.00 40.77 O HETATM 2471 O HOH 66 -1.313 10.610 10.546 1.00 25.97 O HETATM 2472 O HOH 67 10.038 -8.106 -12.248 1.00 63.43 O HETATM 2473 O HOH 68 -18.363 -10.057 6.778 1.00 46.83 O HETATM 2474 O HOH 69 5.785 -10.035 16.747 1.00 43.55 O HETATM 2475 O HOH 70 0.087 7.201 19.525 1.00 30.29 O HETATM 2476 O HOH 71 4.879 -8.343 -17.259 1.00 35.59 O HETATM 2477 O HOH 72 -1.744 -13.126 12.164 1.00 58.86 O HETATM 2478 O HOH 73 9.769 -6.055 -15.171 1.00 55.55 O HETATM 2479 O HOH 74 -10.781 17.383 22.917 1.00 59.34 O HETATM 2480 O HOH 75 -8.364 14.094 -4.317 1.00 55.52 O HETATM 2481 O HOH 76 -6.730 14.398 20.746 1.00 27.04 O HETATM 2482 O HOH 77 8.027 -11.883 4.984 1.00 53.60 O HETATM 2483 O HOH 78 3.721 -1.278 19.425 1.00 39.59 O HETATM 2484 O HOH 79 -12.267 -13.641 7.647 1.00 44.68 O HETATM 2485 O HOH 80 8.669 16.834 -10.041 1.00 37.69 O HETATM 2486 O HOH 81 -7.421 -12.797 8.292 1.00 39.54 O HETATM 2487 O HOH 82 12.877 -6.541 -6.832 1.00 57.94 O HETATM 2488 O HOH 83 8.278 -7.780 -19.387 1.00 51.61 O HETATM 2489 O HOH 84 -14.698 -4.017 -7.862 1.00 54.96 O HETATM 2490 O HOH 85 11.949 -5.192 -9.452 1.00 53.93 O HETATM 2491 O HOH 86 -4.744 15.756 -1.161 1.00 51.84 O HETATM 2492 O HOH 87 0.157 -1.672 -13.610 1.00 56.16 O HETATM 2493 O HOH 88 -3.548 -10.645 -7.138 1.00 60.41 O HETATM 2494 O HOH 89 8.252 -7.533 9.606 1.00 54.31 O HETATM 2495 O HOH 90 5.826 -15.277 0.128 1.00 51.79 O HETATM 2496 O HOH 91 -3.877 19.424 18.243 1.00 57.03 O HETATM 2497 O HOH 92 -2.551 13.920 22.263 1.00 60.42 O HETATM 2498 O HOH 93 6.967 -14.196 11.359 1.00 57.51 O HETATM 2499 O HOH 94 -5.605 7.941 -1.416 1.00 20.54 O HETATM 2500 O HOH 95 10.102 2.332 14.414 1.00 49.06 O HETATM 2501 O HOH 96 8.255 2.317 9.106 1.00 43.21 O HETATM 2502 O HOH 97 -7.248 9.662 21.929 1.00 30.93 O HETATM 2503 O HOH 98 10.231 5.716 -13.490 1.00 47.79 O HETATM 2504 O HOH 99 6.962 -14.612 8.462 1.00 53.04 O HETATM 2505 O HOH 100 0.560 13.260 12.862 1.00 48.28 O HETATM 2506 O HOH 101 -9.020 17.604 -16.332 1.00 64.24 O HETATM 2507 O HOH 102 1.511 11.299 13.186 1.00 44.93 O HETATM 2508 O HOH 103 1.575 -19.836 1.545 1.00 51.41 O HETATM 2509 O HOH 104 -6.007 5.614 -12.052 1.00 47.10 O HETATM 2510 O HOH 105 -25.141 12.787 13.750 1.00 81.71 O HETATM 2511 O HOH 106 -7.276 -16.727 -4.778 1.00 43.38 O HETATM 2512 O HOH 107 14.467 -8.131 -9.145 1.00 55.91 O HETATM 2513 O HOH 108 5.989 -10.773 -16.364 1.00 45.25 O HETATM 2514 O HOH 109 -3.818 -16.203 -4.802 1.00 51.13 O HETATM 2515 O HOH 110 1.270 18.209 13.795 1.00 63.86 O HETATM 2516 O HOH 111 -26.689 14.109 13.714 1.00 81.65 O HETATM 2517 O HOH 112 2.555 -19.127 -1.542 1.00 51.98 O HETATM 2518 O HOH 113 -26.272 18.650 13.752 1.00 55.14 O HETATM 2519 O HOH 114 -1.466 -17.739 9.560 1.00 56.42 O HETATM 2520 O HOH 115 19.734 13.381 -11.170 1.00 48.12 O HETATM 2521 O HOH 116 -19.505 -12.077 10.236 1.00 35.55 O HETATM 2522 O HOH 117 -5.029 13.605 40.496 1.00 51.56 O HETATM 2523 O HOH 118 -6.739 -7.311 14.100 1.00 29.81 O HETATM 2524 O HOH 119 -26.715 -4.417 28.110 1.00 40.34 O HETATM 2525 O HOH 120 -20.558 22.145 39.457 1.00 47.32 O HETATM 2526 O HOH 121 -2.672 -10.624 30.222 1.00 52.13 O HETATM 2527 O HOH 122 -20.980 -2.098 38.698 1.00 55.71 O HETATM 2528 O HOH 123 -10.016 -7.673 33.442 1.00 35.08 O HETATM 2529 O HOH 124 1.189 -15.327 17.623 1.00 47.99 O HETATM 2530 O HOH 125 -20.574 -12.121 18.930 1.00 39.38 O HETATM 2531 O HOH 126 -20.436 0.274 18.871 1.00 41.76 O HETATM 2532 O HOH 127 -7.258 5.716 22.616 1.00 26.02 O HETATM 2533 O HOH 128 -19.567 -1.423 39.572 1.00 55.80 O HETATM 2534 O HOH 129 -6.593 -5.547 11.834 1.00 30.38 O HETATM 2535 O HOH 130 -9.180 -14.203 15.961 1.00 31.42 O HETATM 2536 O HOH 131 4.825 -13.940 27.649 1.00 44.81 O HETATM 2537 O HOH 132 -10.214 -15.237 26.857 1.00 57.12 O HETATM 2538 O HOH 133 0.047 -10.322 29.569 1.00 40.30 O HETATM 2539 O HOH 134 -18.552 8.228 18.441 1.00 35.64 O HETATM 2540 O HOH 135 -18.698 -3.534 17.378 1.00 28.35 O HETATM 2541 O HOH 136 -19.268 0.264 13.452 1.00 31.54 O HETATM 2542 O HOH 137 -22.312 16.869 26.514 1.00 39.02 O HETATM 2543 O HOH 138 -9.393 19.300 5.345 1.00 66.04 O HETATM 2544 O HOH 139 -6.783 -2.038 33.717 1.00 32.89 O HETATM 2545 O HOH 140 -3.799 12.693 8.374 1.00 26.64 O HETATM 2546 O HOH 141 -15.025 -11.202 10.384 1.00 63.43 O HETATM 2547 O HOH 142 -20.842 21.760 32.208 1.00 54.34 O HETATM 2548 O HOH 143 -11.103 -13.219 28.920 1.00 31.76 O HETATM 2549 O HOH 144 1.077 -17.194 20.434 1.00 34.02 O HETATM 2550 O HOH 145 10.411 7.994 4.501 1.00 51.35 O HETATM 2551 O HOH 146 -1.900 -16.478 21.791 1.00 30.78 O HETATM 2552 O HOH 147 -25.305 7.881 26.600 1.00 56.20 O HETATM 2553 O HOH 148 -6.407 4.029 34.133 1.00 45.26 O HETATM 2554 O HOH 149 -21.575 -4.611 41.965 1.00 38.86 O HETATM 2555 O HOH 150 -2.723 -3.886 31.815 1.00 39.81 O HETATM 2556 O HOH 151 1.648 -7.576 28.746 1.00 35.35 O HETATM 2557 O HOH 152 -16.333 -11.938 10.075 1.00 64.17 O HETATM 2558 O HOH 153 -6.671 13.026 9.344 1.00 28.72 O HETATM 2559 O HOH 154 -5.569 9.373 1.520 1.00 32.16 O HETATM 2560 O HOH 155 -23.207 2.776 18.979 1.00 67.98 O HETATM 2561 O HOH 156 -1.504 1.979 32.278 1.00 51.68 O HETATM 2562 O HOH 157 -15.750 10.900 13.162 1.00 48.84 O HETATM 2563 O HOH 158 -12.737 9.300 11.330 1.00 26.34 O HETATM 2564 O HOH 159 -18.476 -6.255 14.046 1.00 32.39 O HETATM 2565 O HOH 160 -21.904 -0.256 6.904 1.00 53.41 O HETATM 2566 O HOH 161 -14.679 7.294 11.918 1.00 23.91 O HETATM 2567 O HOH 162 -18.433 7.972 21.916 1.00 24.52 O HETATM 2568 O HOH 163 -22.927 4.451 17.329 1.00 46.96 O HETATM 2569 O HOH 164 -23.580 -2.139 8.443 1.00 43.41 O HETATM 2570 O HOH 165 -11.318 -12.856 11.260 1.00 42.12 O HETATM 2571 O HOH 166 -5.863 15.072 33.957 1.00 45.31 O HETATM 2572 O HOH 167 -5.905 -11.484 13.635 1.00 34.82 O HETATM 2573 O HOH 168 -16.764 9.057 2.683 1.00 51.93 O HETATM 2574 O HOH 169 7.198 18.596 0.709 1.00 38.78 O HETATM 2575 O HOH 170 -11.470 10.697 13.117 1.00 24.15 O HETATM 2576 O HOH 171 -20.057 -8.295 5.297 1.00 47.14 O HETATM 2577 O HOH 172 -7.877 -8.094 11.392 1.00 40.33 O HETATM 2578 O HOH 173 -14.340 -14.317 17.804 1.00 41.09 O HETATM 2579 O HOH 174 -17.371 6.430 11.568 1.00 33.11 O HETATM 2580 O HOH 175 -4.763 7.248 26.337 1.00 38.29 O HETATM 2581 O HOH 176 -19.728 3.989 15.565 1.00 30.27 O HETATM 2582 O HOH 177 1.401 -11.430 15.733 1.00 22.11 O HETATM 2583 O HOH 178 -20.566 -6.123 17.618 1.00 34.03 O HETATM 2584 O HOH 179 0.633 -1.004 29.287 1.00 56.79 O HETATM 2585 O HOH 180 5.518 -7.746 22.294 1.00 35.63 O HETATM 2586 O HOH 181 -22.752 -12.260 26.939 1.00 37.79 O HETATM 2587 O HOH 182 -20.883 7.061 20.672 1.00 44.82 O HETATM 2588 O HOH 183 -12.496 1.514 36.993 1.00 44.17 O HETATM 2589 O HOH 184 -12.917 7.070 4.001 1.00 25.56 O HETATM 2590 O HOH 185 -17.971 -10.088 31.249 1.00 31.94 O HETATM 2591 O HOH 186 -7.216 11.500 2.419 1.00 33.90 O HETATM 2592 O HOH 187 -22.509 -8.461 35.715 1.00 61.24 O HETATM 2593 O HOH 188 -23.023 6.738 34.457 1.00 47.88 O HETATM 2594 O HOH 189 -3.055 -7.636 31.078 1.00 33.65 O HETATM 2595 O HOH 190 -15.691 -8.173 39.437 1.00 35.64 O HETATM 2596 O HOH 191 -6.001 14.513 2.896 1.00 29.13 O HETATM 2597 O HOH 192 3.612 18.327 8.471 1.00 58.98 O HETATM 2598 O HOH 193 5.392 16.889 6.714 1.00 41.23 O HETATM 2599 O HOH 194 6.306 -11.837 19.716 1.00 52.47 O HETATM 2600 O HOH 195 -13.809 -11.318 33.964 1.00 46.98 O HETATM 2601 O HOH 196 11.805 10.607 3.199 1.00 71.95 O HETATM 2602 O HOH 197 -10.269 -17.614 22.601 1.00 33.98 O HETATM 2603 O HOH 198 -10.741 13.464 1.721 1.00 51.67 O HETATM 2604 O HOH 199 4.148 -13.367 29.686 1.00 46.01 O HETATM 2605 O HOH 200 -19.008 -13.221 17.904 1.00 38.30 O HETATM 2606 O HOH 201 -8.840 -16.724 17.194 1.00 41.01 O HETATM 2607 O HOH 202 0.711 4.601 23.633 1.00 39.97 O HETATM 2608 O HOH 203 -25.672 -6.660 30.103 1.00 52.40 O HETATM 2609 O HOH 204 -5.667 -12.854 15.400 1.00 43.97 O HETATM 2610 O HOH 205 -25.458 5.535 24.229 1.00 43.79 O HETATM 2611 O HOH 206 -6.250 11.191 36.242 1.00 59.97 O HETATM 2612 O HOH 207 -17.542 -8.496 40.732 1.00 38.55 O HETATM 2613 O HOH 208 -16.396 -1.407 4.239 1.00 46.15 O HETATM 2614 O HOH 209 -20.499 -7.600 43.166 1.00 51.75 O HETATM 2615 O HOH 210 -24.333 3.407 24.111 1.00 52.83 O HETATM 2616 O HOH 211 -4.767 -18.706 25.379 1.00 58.50 O HETATM 2617 O HOH 212 -19.695 3.168 9.603 1.00 51.32 O HETATM 2618 O HOH 213 -26.002 -0.964 29.721 1.00 45.38 O HETATM 2619 O HOH 214 -8.563 17.592 8.889 1.00 50.24 O HETATM 2620 O HOH 215 -24.742 -5.141 32.861 1.00 40.75 O HETATM 2621 O HOH 216 -21.206 -7.621 13.780 1.00 46.99 O HETATM 2622 O HOH 217 -2.023 13.135 10.291 1.00 42.85 O HETATM 2623 O HOH 218 -0.506 -18.494 15.583 1.00 47.87 O HETATM 2624 O HOH 219 -0.693 -13.373 15.282 1.00 59.15 O HETATM 2625 O HOH 220 -23.831 -11.080 33.115 1.00 46.11 O HETATM 2626 O HOH 221 -7.275 7.979 24.890 1.00 20.49 O HETATM 2627 O HOH 222 -3.864 18.176 0.151 1.00 54.28 O HETATM 2628 O HOH 223 12.571 10.660 4.737 1.00 72.22 O HETATM 2629 O HOH 224 -18.500 -15.411 23.473 1.00 47.49 O HETATM 2630 O HOH 225 -10.461 13.331 13.303 1.00 48.22 O HETATM 2631 O HOH 226 -12.965 13.765 10.797 1.00 48.13 O HETATM 2632 O HOH 227 -6.043 -0.225 35.939 1.00 49.76 O HETATM 2633 O HOH 228 -13.190 24.485 33.874 1.00 48.44 O HETATM 2634 O HOH 229 -20.069 -10.210 39.275 1.00 48.27 O HETATM 2635 O HOH 230 -8.178 -10.739 30.416 1.00 50.54 O HETATM 2636 O HOH 231 -14.553 11.147 10.245 1.00 47.06 O HETATM 2637 O HOH 232 -6.965 5.837 35.523 1.00 48.77 O HETATM 2638 O HOH 233 -5.639 -16.704 28.378 1.00 47.54 O HETATM 2639 O HOH 234 13.986 12.663 7.705 1.00 59.76 O HETATM 2640 O HOH 235 14.663 16.594 9.117 1.00 73.59 O HETATM 2641 O HOH 236 -25.752 21.097 38.101 1.00 62.94 O HETATM 2642 O HOH 237 -27.792 18.725 34.618 1.00 50.16 O HETATM 2643 N F A 8 -9.891 3.729 -1.903 1.00 -0.26 N HETATM 2644 CA F A 8 -8.789 4.420 -1.197 1.00 0.14 C HETATM 2645 C F A 8 -9.361 5.349 -0.115 1.00 0.20 C HETATM 2646 O F A 8 -10.556 5.645 -0.099 1.00 -0.39 O HETATM 2647 NAY F A 8 -8.469 5.804 0.776 1.00 -0.28 N HETATM 2648 CBJ F A 8 -8.852 6.711 1.870 1.00 0.04 C HETATM 2649 CAA F A 8 -8.540 8.153 1.468 1.00 -0.04 C HETATM 2650 H3 F A 8 -8.826 8.832 2.285 1.00 0.03 H HETATM 2651 H4 F A 8 -9.107 8.412 0.561 1.00 0.03 H HETATM 2652 H5 F A 8 -7.463 8.253 1.268 1.00 0.03 H HETATM 2653 CAB F A 8 -8.062 6.351 3.133 1.00 -0.04 C HETATM 2654 H6 F A 8 -8.286 5.314 3.422 1.00 0.03 H HETATM 2655 H7 F A 8 -8.348 7.030 3.950 1.00 0.03 H HETATM 2656 H8 F A 8 -6.985 6.451 2.933 1.00 0.03 H HETATM 2657 H35 F A 8 -9.929 6.611 2.070 1.00 0.06 H HETATM 2658 H38 F A 8 -7.514 5.519 0.695 1.00 0.19 H HETATM 2659 H1 F A 8 -8.210 5.014 -1.919 1.00 0.08 H HETATM 2660 H2 F A 8 -8.133 3.673 -0.726 1.00 0.08 H HETATM 2661 CAN F A 8 -10.201 3.948 -3.180 1.00 0.02 C HETATM 2662 CBE F A 8 -11.234 3.166 -3.459 1.00 -0.01 C HETATM 2663 CAV F A 8 -11.922 3.077 -4.834 1.00 -0.02 C HETATM 2664 NBL F A 8 -12.643 4.308 -5.210 1.00 0.25 N HETATM 2665 CAS F A 8 -13.769 4.535 -4.287 1.00 0.01 C HETATM 2666 CAQ F A 8 -14.587 5.748 -4.705 1.00 0.01 C HETATM 2667 NBK F A 8 -15.118 5.560 -6.066 1.00 0.24 N HETATM 2668 CAC F A 8 -15.906 6.736 -6.469 1.00 -0.04 C HETATM 2669 H9 F A 8 -16.740 6.877 -5.766 1.00 0.08 H HETATM 2670 H10 F A 8 -16.303 6.581 -7.483 1.00 0.08 H HETATM 2671 H11 F A 8 -15.264 7.629 -6.459 1.00 0.08 H HETATM 2672 CAR F A 8 -13.997 5.357 -6.997 1.00 0.01 C HETATM 2673 CAT F A 8 -13.167 4.148 -6.580 1.00 0.01 C HETATM 2674 H31 F A 8 -12.323 4.035 -7.276 1.00 0.09 H HETATM 2675 H32 F A 8 -13.798 3.248 -6.620 1.00 0.09 H HETATM 2676 H27 F A 8 -14.393 5.192 -8.010 1.00 0.09 H HETATM 2677 H28 F A 8 -13.358 6.253 -6.995 1.00 0.09 H HETATM 2678 H40 F A 8 -15.712 4.746 -6.081 1.00 0.20 H HETATM 2679 H25 F A 8 -13.947 6.642 -4.685 1.00 0.09 H HETATM 2680 H26 F A 8 -15.424 5.881 -4.004 1.00 0.09 H HETATM 2681 H29 F A 8 -14.418 3.647 -4.288 1.00 0.09 H HETATM 2682 H30 F A 8 -13.374 4.700 -3.274 1.00 0.09 H HETATM 2683 H41 F A 8 -12.013 5.094 -5.174 1.00 0.20 H HETATM 2684 H33 F A 8 -12.641 2.245 -4.811 1.00 0.09 H HETATM 2685 H34 F A 8 -11.154 2.877 -5.596 1.00 0.09 H HETATM 2686 CBH F A 8 -11.567 2.452 -2.385 1.00 -0.03 C HETATM 2687 CAK F A 8 -12.523 1.545 -2.185 1.00 -0.08 C HETATM 2688 CAH F A 8 -12.665 0.941 -0.944 1.00 -0.05 C HETATM 2689 CBC F A 8 -11.814 1.314 0.090 1.00 0.06 C HETATM 2690 CAM F A 8 -10.826 2.256 -0.185 1.00 -0.02 C HETATM 2691 CBI F A 8 -10.729 2.809 -1.402 1.00 0.05 C HETATM 2692 H19 F A 8 -10.129 2.545 0.593 1.00 0.04 H HETATM 2693 NAX F A 8 -11.912 0.738 1.304 1.00 -0.24 N HETATM 2694 CBB F A 8 -13.071 0.782 2.006 1.00 0.16 C HETATM 2695 NAW F A 8 -14.147 1.442 1.535 1.00 -0.28 N HETATM 2696 CAO F A 8 -15.444 1.521 2.227 1.00 0.04 C HETATM 2697 CAP F A 8 -16.457 2.278 1.341 1.00 -0.01 C HETATM 2698 CBD F A 8 -16.592 1.629 -0.051 1.00 -0.04 C HETATM 2699 CAL F A 8 -15.908 1.996 -1.134 1.00 0.02 C HETATM 2700 NAZ F A 8 -16.310 1.204 -2.127 1.00 -0.29 N HETATM 2701 CBF F A 8 -17.235 0.361 -1.656 1.00 0.06 C HETATM 2702 CAI F A 8 -17.931 -0.608 -2.251 1.00 -0.04 C HETATM 2703 CAF F A 8 -18.859 -1.363 -1.546 1.00 -0.08 C HETATM 2704 CAG F A 8 -19.047 -1.083 -0.200 1.00 -0.08 C HETATM 2705 CAJ F A 8 -18.294 -0.065 0.371 1.00 -0.07 C HETATM 2706 CBG F A 8 -17.417 0.629 -0.358 1.00 -0.02 C HETATM 2707 H16 F A 8 -18.420 0.169 1.422 1.00 0.05 H HETATM 2708 H13 F A 8 -19.763 -1.644 0.390 1.00 0.05 H HETATM 2709 H12 F A 8 -19.422 -2.150 -2.034 1.00 0.05 H HETATM 2710 H15 F A 8 -17.770 -0.810 -3.304 1.00 0.05 H HETATM 2711 H39 F A 8 -15.965 1.236 -3.097 1.00 0.22 H HETATM 2712 H18 F A 8 -15.165 2.789 -1.196 1.00 0.08 H HETATM 2713 H23 F A 8 -16.117 3.317 1.219 1.00 0.04 H HETATM 2714 H24 F A 8 -17.440 2.269 1.835 1.00 0.04 H HETATM 2715 H21 F A 8 -15.817 0.505 2.424 1.00 0.06 H HETATM 2716 H22 F A 8 -15.319 2.056 3.180 1.00 0.06 H HETATM 2717 H36 F A 8 -14.059 1.910 0.656 1.00 0.20 H HETATM 2718 SAE F A 8 -13.147 0.017 3.520 1.00 -0.30 S HETATM 2719 H37 F A 8 -11.118 0.271 1.693 1.00 0.23 H HETATM 2720 H14 F A 8 -13.429 0.189 -0.783 1.00 0.04 H HETATM 2721 H17 F A 8 -13.192 1.278 -2.995 1.00 0.05 H HETATM 2722 H20 F A 8 -9.703 4.636 -3.862 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1210 1211 1215 1216 1217 CONECT 1215 1210 CONECT 1216 1210 CONECT 1217 1210 CONECT 2643 2644 2661 2691 CONECT 2644 2643 2645 2659 2660 CONECT 2645 2644 2646 2647 CONECT 2646 2645 CONECT 2647 2645 2648 2658 CONECT 2648 2647 2649 2653 2657 CONECT 2649 2648 2650 2651 2652 CONECT 2650 2649 CONECT 2651 2649 CONECT 2652 2649 CONECT 2653 2648 2654 2655 2656 CONECT 2654 2653 CONECT 2655 2653 CONECT 2656 2653 CONECT 2657 2648 CONECT 2658 2647 CONECT 2659 2644 CONECT 2660 2644 CONECT 2661 2643 2662 2722 CONECT 2662 2661 2663 2686 CONECT 2663 2662 2664 2684 2685 CONECT 2664 2663 2665 2673 2683 CONECT 2665 2664 2666 2681 2682 CONECT 2666 2665 2667 2679 2680 CONECT 2667 2666 2668 2672 2678 CONECT 2668 2667 2669 2670 2671 CONECT 2669 2668 CONECT 2670 2668 CONECT 2671 2668 CONECT 2672 2667 2673 2676 2677 CONECT 2673 2664 2672 2674 2675 CONECT 2674 2673 CONECT 2675 2673 CONECT 2676 2672 CONECT 2677 2672 CONECT 2678 2667 CONECT 2679 2666 CONECT 2680 2666 CONECT 2681 2665 CONECT 2682 2665 CONECT 2683 2664 CONECT 2684 2663 CONECT 2685 2663 CONECT 2686 2662 2687 2691 CONECT 2687 2686 2688 2721 CONECT 2688 2687 2689 2720 CONECT 2689 2688 2690 2693 CONECT 2690 2689 2691 2692 CONECT 2691 2643 2686 2690 CONECT 2692 2690 CONECT 2693 2689 2694 2719 CONECT 2694 2693 2695 2718 CONECT 2695 2694 2696 2717 CONECT 2696 2695 2697 2715 2716 CONECT 2697 2696 2698 2713 2714 CONECT 2698 2697 2699 2706 CONECT 2699 2698 2700 2712 CONECT 2700 2699 2701 2711 CONECT 2701 2700 2702 2706 CONECT 2702 2701 2703 2710 CONECT 2703 2702 2704 2709 CONECT 2704 2703 2705 2708 CONECT 2705 2704 2706 2707 CONECT 2706 2698 2701 2705 CONECT 2707 2705 CONECT 2708 2704 CONECT 2709 2703 CONECT 2710 2702 CONECT 2711 2700 CONECT 2712 2699 CONECT 2713 2697 CONECT 2714 2697 CONECT 2715 2696 CONECT 2716 2696 CONECT 2717 2695 CONECT 2718 2694 CONECT 2719 2693 CONECT 2720 2688 CONECT 2721 2687 CONECT 2722 2661 MASTER 0 0 0 0 0 0 0 0 2720 2 88 20 END
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Structure:
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6cq1
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
F8J
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=219uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
() Vol. : pp. -
Ligand Properties
Formula
C
3
0
H
4
1
N
7
OS
Molecular Weight
547.758
Exact Mass
547.309
No. of atoms
80
No. of bonds
84
Polar Surface Area
114.85
LOGP Value
3.58 (
Computed with XLOGP3
)
5.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
C[N@@H+]1CC[N@H+](CC1)Cc1cn(c2c1ccc(c2)NC(=S)NCCc1c[nH]c2c1cccc2)CC(=O)NC(C)C
InChI String
InChI=1S/C30H39N7OS/c1-21(2)33-29(38)20-37-19-23(18-36-14-12-35(3)13-15-36)26-9-8-24(16-28(26)37)34-30(39)31-11-10-22-17-32-27-7-5-4-6-25(22)27/h4-9,16-17,19,21,32H,10-15,18,20H2,1-3H3,(H,33,38)(H2,31,34,39)/p+2
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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