Browse entries in the PDBbind-CN Database
HEADER 6C3N_COMPLEX COMPND 6C3N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU SEQRES 2 A 123 LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR SEQRES 3 A 123 ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA SEQRES 4 A 123 HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SEQRES 5 A 123 SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER VAL SEQRES 6 A 123 ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE ASN SEQRES 7 A 123 ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU SEQRES 8 A 123 ARG VAL GLY ASN ILE MET ALA VAL MET ALA THR ALA MET SEQRES 9 A 123 TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS SEQRES 10 A 123 PHE ILE LYS ALA SER GLU SEQRES 1 B 122 SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU SEQRES 2 B 122 LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR SEQRES 3 B 122 ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA SEQRES 4 B 122 HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SEQRES 5 B 122 SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER VAL SEQRES 6 B 122 ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE ASN SEQRES 7 B 122 ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU SEQRES 8 B 122 ARG VAL GLY ASN ILE MET ALA VAL MET ALA THR ALA MET SEQRES 9 B 122 TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS SEQRES 10 B 122 PHE ILE LYS ALA SER HET EHY A 332 33 ATOM 1 N SER A 7 -3.346 -49.127 19.842 1.00 68.66 N ATOM 2 CA SER A 7 -2.171 -49.945 20.118 1.00 70.27 C ATOM 3 C SER A 7 -0.974 -49.550 19.252 1.00 68.07 C ATOM 4 O SER A 7 -0.133 -50.386 18.930 1.00 70.77 O ATOM 5 CB SER A 7 -2.495 -51.424 19.911 1.00 76.19 C ATOM 6 OG SER A 7 -2.883 -51.677 18.574 1.00 78.06 O ATOM 7 HG SER A 7 -2.145 -51.425 17.964 1.00 0.00 H ATOM 8 HN3 SER A 7 -3.618 -49.239 18.844 1.00 0.00 H ATOM 9 HN2 SER A 7 -3.125 -48.129 20.033 1.00 0.00 H ATOM 10 HN1 SER A 7 -4.131 -49.432 20.453 1.00 0.00 H ATOM 11 N GLN A 8 -0.907 -48.279 18.868 1.00 63.69 N ATOM 12 CA GLN A 8 0.275 -47.754 18.200 1.00 64.76 C ATOM 13 C GLN A 8 1.368 -47.478 19.225 1.00 63.25 C ATOM 14 O GLN A 8 1.092 -47.205 20.397 1.00 62.86 O ATOM 15 CB GLN A 8 -0.055 -46.470 17.438 1.00 57.91 C ATOM 16 CG GLN A 8 -1.203 -46.599 16.453 1.00 59.94 C ATOM 17 CD GLN A 8 -1.300 -45.418 15.494 1.00 60.27 C ATOM 18 OE1 GLN A 8 -0.395 -44.584 15.416 1.00 54.21 O ATOM 19 NE2 GLN A 8 -2.399 -45.350 14.753 1.00 62.08 N ATOM 20 HE22 GLN A 8 -3.138 -46.075 14.851 1.00 0.00 H ATOM 21 HE21 GLN A 8 -2.521 -44.571 14.074 1.00 0.00 H ATOM 22 H GLN A 8 -1.714 -47.648 19.048 1.00 0.00 H ATOM 23 N ILE A 9 2.623 -47.550 18.779 1.00 62.78 N ATOM 24 CA ILE A 9 3.731 -47.323 19.700 1.00 61.13 C ATOM 25 C ILE A 9 3.798 -45.845 20.062 1.00 55.22 C ATOM 26 O ILE A 9 3.828 -44.973 19.184 1.00 52.24 O ATOM 27 CB ILE A 9 5.056 -47.826 19.110 1.00 63.75 C ATOM 28 CG1 ILE A 9 6.232 -47.208 19.867 1.00 62.63 C ATOM 29 CG2 ILE A 9 5.151 -47.514 17.640 1.00 63.18 C ATOM 30 CD1 ILE A 9 7.526 -47.957 19.691 1.00 66.71 C ATOM 31 H ILE A 9 2.811 -47.767 17.779 1.00 0.00 H ATOM 32 N GLN A 10 3.824 -45.562 21.362 1.00 54.06 N ATOM 33 CA GLN A 10 3.719 -44.211 21.894 1.00 50.19 C ATOM 34 C GLN A 10 5.086 -43.694 22.328 1.00 48.33 C ATOM 35 O GLN A 10 5.888 -44.431 22.910 1.00 50.26 O ATOM 36 CB GLN A 10 2.747 -44.182 23.076 1.00 52.13 C ATOM 37 CG GLN A 10 1.866 -42.949 23.146 1.00 51.29 C ATOM 38 CD GLN A 10 2.454 -41.845 24.011 1.00 51.25 C ATOM 39 OE1 GLN A 10 3.313 -42.092 24.861 1.00 53.75 O ATOM 40 NE2 GLN A 10 1.988 -40.618 23.800 1.00 48.76 N ATOM 41 HE22 GLN A 10 1.263 -40.455 23.072 1.00 0.00 H ATOM 42 HE21 GLN A 10 2.348 -39.821 24.363 1.00 0.00 H ATOM 43 H GLN A 10 3.925 -46.349 22.035 1.00 0.00 H ATOM 44 N PHE A 11 5.346 -42.423 22.040 1.00 45.64 N ATOM 45 CA PHE A 11 6.584 -41.747 22.423 1.00 45.80 C ATOM 46 C PHE A 11 6.259 -40.816 23.588 1.00 45.51 C ATOM 47 O PHE A 11 5.679 -39.740 23.398 1.00 43.22 O ATOM 48 CB PHE A 11 7.187 -40.999 21.236 1.00 43.64 C ATOM 49 CG PHE A 11 7.929 -41.892 20.278 1.00 43.60 C ATOM 50 CD1 PHE A 11 7.253 -42.843 19.529 1.00 45.86 C ATOM 51 CD2 PHE A 11 9.303 -41.786 20.135 1.00 44.39 C ATOM 52 CE1 PHE A 11 7.930 -43.671 18.656 1.00 48.92 C ATOM 53 CE2 PHE A 11 9.988 -42.613 19.261 1.00 52.27 C ATOM 54 CZ PHE A 11 9.300 -43.558 18.520 1.00 49.79 C ATOM 55 H PHE A 11 4.631 -41.881 21.514 1.00 0.00 H ATOM 56 N THR A 12 6.648 -41.239 24.795 1.00 48.00 N ATOM 57 CA THR A 12 6.179 -40.586 26.013 1.00 49.02 C ATOM 58 C THR A 12 6.624 -39.130 26.094 1.00 47.22 C ATOM 59 O THR A 12 5.903 -38.294 26.648 1.00 46.25 O ATOM 60 CB THR A 12 6.665 -41.370 27.236 1.00 45.86 C ATOM 61 OG1 THR A 12 6.149 -40.774 28.431 1.00 46.02 O ATOM 62 CG2 THR A 12 8.193 -41.400 27.299 1.00 46.81 C ATOM 63 HG1 THR A 12 6.465 -39.838 28.495 1.00 0.00 H ATOM 64 H THR A 12 7.297 -42.048 24.867 1.00 0.00 H ATOM 65 N ARG A 13 7.787 -38.802 25.534 1.00 48.43 N ATOM 66 CA ARG A 13 8.352 -37.466 25.647 1.00 46.62 C ATOM 67 C ARG A 13 8.100 -36.590 24.428 1.00 43.18 C ATOM 68 O ARG A 13 8.430 -35.401 24.472 1.00 42.75 O ATOM 69 CB ARG A 13 9.865 -37.549 25.886 1.00 49.83 C ATOM 70 CG ARG A 13 10.283 -37.887 27.309 1.00 54.61 C ATOM 71 CD ARG A 13 11.366 -38.964 27.311 1.00 61.51 C ATOM 72 NE ARG A 13 12.169 -38.951 26.086 1.00 64.81 N ATOM 73 CZ ARG A 13 13.044 -39.898 25.751 1.00 69.31 C ATOM 74 NH1 ARG A 13 13.232 -40.944 26.550 1.00 72.59 N ATOM 75 NH2 ARG A 13 13.729 -39.805 24.615 1.00 69.51 N ATOM 76 HE ARG A 13 12.048 -38.149 25.435 1.00 0.00 H ATOM 77 HH12 ARG A 13 13.915 -41.683 26.287 1.00 0.00 H ATOM 78 HH11 ARG A 13 12.696 -41.023 27.438 1.00 0.00 H ATOM 79 HH22 ARG A 13 14.411 -40.546 24.357 1.00 0.00 H ATOM 80 HH21 ARG A 13 13.583 -38.991 23.985 1.00 0.00 H ATOM 81 H ARG A 13 8.309 -39.525 24.998 1.00 0.00 H ATOM 82 N HIS A 14 7.523 -37.133 23.351 1.00 41.14 N ATOM 83 CA HIS A 14 7.491 -36.396 22.089 1.00 37.19 C ATOM 84 C HIS A 14 6.703 -35.099 22.206 1.00 35.75 C ATOM 85 O HIS A 14 7.111 -34.070 21.655 1.00 34.19 O ATOM 86 CB HIS A 14 6.902 -37.254 20.974 1.00 36.45 C ATOM 87 CG HIS A 14 6.754 -36.521 19.678 1.00 33.31 C ATOM 88 ND1 HIS A 14 7.797 -36.363 18.791 1.00 33.95 N ATOM 89 CD2 HIS A 14 5.693 -35.885 19.128 1.00 32.53 C ATOM 90 CE1 HIS A 14 7.382 -35.673 17.744 1.00 32.66 C ATOM 91 NE2 HIS A 14 6.108 -35.371 17.924 1.00 32.44 N ATOM 92 H HIS A 14 7.097 -38.080 23.411 1.00 0.00 H ATOM 93 N ALA A 15 5.568 -35.130 22.910 1.00 36.68 N ATOM 94 CA ALA A 15 4.711 -33.951 22.995 1.00 35.85 C ATOM 95 C ALA A 15 5.426 -32.796 23.686 1.00 35.63 C ATOM 96 O ALA A 15 5.391 -31.655 23.208 1.00 33.96 O ATOM 97 CB ALA A 15 3.412 -34.297 23.723 1.00 37.13 C ATOM 98 H ALA A 15 5.292 -36.003 23.403 1.00 0.00 H ATOM 99 N SER A 16 6.087 -33.075 24.815 1.00 38.13 N ATOM 100 CA SER A 16 6.782 -32.014 25.535 1.00 39.39 C ATOM 101 C SER A 16 8.055 -31.585 24.815 1.00 40.10 C ATOM 102 O SER A 16 8.462 -30.422 24.920 1.00 40.00 O ATOM 103 CB SER A 16 7.094 -32.458 26.963 1.00 41.34 C ATOM 104 OG SER A 16 8.175 -33.366 26.993 1.00 42.94 O ATOM 105 HG SER A 16 7.947 -34.166 26.456 1.00 0.00 H ATOM 106 H SER A 16 6.105 -34.049 25.179 1.00 0.00 H ATOM 107 N ASP A 17 8.690 -32.496 24.075 1.00 41.38 N ATOM 108 CA ASP A 17 9.851 -32.111 23.280 1.00 42.81 C ATOM 109 C ASP A 17 9.466 -31.186 22.131 1.00 40.47 C ATOM 110 O ASP A 17 10.279 -30.354 21.711 1.00 40.23 O ATOM 111 CB ASP A 17 10.560 -33.355 22.750 1.00 47.18 C ATOM 112 CG ASP A 17 11.540 -33.934 23.754 1.00 52.99 C ATOM 113 OD1 ASP A 17 12.725 -33.540 23.735 1.00 55.14 O ATOM 114 OD2 ASP A 17 11.120 -34.767 24.582 1.00 56.35 O ATOM 115 H ASP A 17 8.357 -33.481 24.065 1.00 0.00 H ATOM 116 N VAL A 18 8.242 -31.314 21.614 1.00 39.11 N ATOM 117 CA VAL A 18 7.779 -30.396 20.578 1.00 38.05 C ATOM 118 C VAL A 18 7.544 -29.009 21.164 1.00 37.02 C ATOM 119 O VAL A 18 7.966 -27.996 20.591 1.00 36.34 O ATOM 120 CB VAL A 18 6.511 -30.952 19.902 1.00 38.11 C ATOM 121 CG1 VAL A 18 5.843 -29.878 19.043 1.00 37.19 C ATOM 122 CG2 VAL A 18 6.848 -32.187 19.069 1.00 39.07 C ATOM 123 H VAL A 18 7.615 -32.072 21.951 1.00 0.00 H ATOM 124 N LEU A 19 6.873 -28.943 22.317 1.00 36.72 N ATOM 125 CA LEU A 19 6.629 -27.662 22.969 1.00 36.68 C ATOM 126 C LEU A 19 7.939 -26.964 23.301 1.00 37.13 C ATOM 127 O LEU A 19 8.057 -25.742 23.162 1.00 37.84 O ATOM 128 CB LEU A 19 5.797 -27.878 24.234 1.00 37.60 C ATOM 129 CG LEU A 19 4.928 -26.713 24.704 1.00 38.39 C ATOM 130 CD1 LEU A 19 3.858 -26.403 23.664 1.00 38.24 C ATOM 131 CD2 LEU A 19 4.302 -27.016 26.059 1.00 39.67 C ATOM 132 H LEU A 19 6.520 -29.817 22.756 1.00 0.00 H ATOM 133 N LEU A 20 8.937 -27.734 23.739 1.00 37.44 N ATOM 134 CA LEU A 20 10.248 -27.175 24.041 1.00 37.76 C ATOM 135 C LEU A 20 10.873 -26.550 22.799 1.00 37.60 C ATOM 136 O LEU A 20 11.387 -25.427 22.845 1.00 37.50 O ATOM 137 CB LEU A 20 11.142 -28.276 24.607 1.00 38.91 C ATOM 138 CG LEU A 20 12.340 -27.916 25.484 1.00 41.63 C ATOM 139 CD1 LEU A 20 13.492 -27.391 24.655 1.00 42.32 C ATOM 140 CD2 LEU A 20 11.944 -26.914 26.562 1.00 42.98 C ATOM 141 H LEU A 20 8.776 -28.753 23.867 1.00 0.00 H ATOM 142 N ASN A 21 10.844 -27.276 21.678 1.00 37.60 N ATOM 143 CA ASN A 21 11.390 -26.747 20.431 1.00 36.99 C ATOM 144 C ASN A 21 10.591 -25.545 19.941 1.00 36.11 C ATOM 145 O ASN A 21 11.168 -24.596 19.397 1.00 36.37 O ATOM 146 CB ASN A 21 11.419 -27.839 19.360 1.00 36.22 C ATOM 147 CG ASN A 21 12.516 -28.861 19.595 1.00 36.65 C ATOM 148 OD1 ASN A 21 13.418 -28.641 20.397 1.00 37.78 O ATOM 149 ND2 ASN A 21 12.448 -29.979 18.883 1.00 36.32 N ATOM 150 HD22 ASN A 21 11.665 -30.123 18.214 1.00 0.00 H ATOM 151 HD21 ASN A 21 13.178 -30.711 18.994 1.00 0.00 H ATOM 152 H ASN A 21 10.428 -28.229 21.693 1.00 0.00 H ATOM 153 N LEU A 22 9.264 -25.572 20.115 1.00 34.94 N ATOM 154 CA LEU A 22 8.444 -24.429 19.723 1.00 34.31 C ATOM 155 C LEU A 22 8.814 -23.193 20.527 1.00 35.52 C ATOM 156 O LEU A 22 8.875 -22.085 19.984 1.00 37.17 O ATOM 157 CB LEU A 22 6.958 -24.748 19.892 1.00 33.46 C ATOM 158 CG LEU A 22 6.298 -25.685 18.879 1.00 33.17 C ATOM 159 CD1 LEU A 22 4.813 -25.844 19.191 1.00 33.54 C ATOM 160 CD2 LEU A 22 6.501 -25.178 17.463 1.00 33.23 C ATOM 161 H LEU A 22 8.814 -26.412 20.532 1.00 0.00 H ATOM 162 N ASN A 23 9.069 -23.364 21.825 1.00 35.69 N ATOM 163 CA ASN A 23 9.510 -22.239 22.636 1.00 37.19 C ATOM 164 C ASN A 23 10.857 -21.723 22.152 1.00 37.13 C ATOM 165 O ASN A 23 11.088 -20.508 22.117 1.00 38.67 O ATOM 166 CB ASN A 23 9.577 -22.648 24.108 1.00 39.17 C ATOM 167 CG ASN A 23 9.554 -21.458 25.050 1.00 41.73 C ATOM 168 OD1 ASN A 23 9.078 -20.378 24.694 1.00 43.09 O ATOM 169 ND2 ASN A 23 10.061 -21.653 26.263 1.00 42.69 N ATOM 170 HD22 ASN A 23 10.452 -22.582 26.520 1.00 0.00 H ATOM 171 HD21 ASN A 23 10.066 -20.877 26.955 1.00 0.00 H ATOM 172 H ASN A 23 8.953 -24.302 22.258 1.00 0.00 H ATOM 173 N ARG A 24 11.754 -22.633 21.761 1.00 35.80 N ATOM 174 CA ARG A 24 13.039 -22.226 21.197 1.00 36.64 C ATOM 175 C ARG A 24 12.851 -21.401 19.930 1.00 36.58 C ATOM 176 O ARG A 24 13.531 -20.386 19.735 1.00 37.98 O ATOM 177 CB ARG A 24 13.896 -23.454 20.896 1.00 37.25 C ATOM 178 CG ARG A 24 14.496 -24.130 22.103 1.00 38.92 C ATOM 179 CD ARG A 24 15.061 -25.488 21.726 1.00 40.65 C ATOM 180 NE ARG A 24 15.849 -26.078 22.804 1.00 43.61 N ATOM 181 CZ ARG A 24 16.169 -27.366 22.875 1.00 45.20 C ATOM 182 NH1 ARG A 24 15.755 -28.209 21.939 1.00 44.68 N ATOM 183 NH2 ARG A 24 16.892 -27.816 23.891 1.00 47.74 N ATOM 184 HE ARG A 24 16.181 -25.451 23.564 1.00 0.00 H ATOM 185 HH12 ARG A 24 16.007 -29.216 21.998 1.00 0.00 H ATOM 186 HH11 ARG A 24 15.178 -27.863 21.146 1.00 0.00 H ATOM 187 HH22 ARG A 24 17.142 -28.824 23.945 1.00 0.00 H ATOM 188 HH21 ARG A 24 17.209 -27.161 24.634 1.00 0.00 H ATOM 189 H ARG A 24 11.535 -23.645 21.859 1.00 0.00 H ATOM 190 N LEU A 25 11.939 -21.830 19.051 1.00 35.27 N ATOM 191 CA LEU A 25 11.659 -21.061 17.846 1.00 36.24 C ATOM 192 C LEU A 25 11.119 -19.681 18.195 1.00 38.04 C ATOM 193 O LEU A 25 11.411 -18.699 17.503 1.00 39.64 O ATOM 194 CB LEU A 25 10.675 -21.822 16.957 1.00 35.30 C ATOM 195 CG LEU A 25 11.155 -23.177 16.427 1.00 35.29 C ATOM 196 CD1 LEU A 25 10.085 -23.803 15.542 1.00 35.49 C ATOM 197 CD2 LEU A 25 12.472 -23.048 15.671 1.00 36.55 C ATOM 198 H LEU A 25 11.427 -22.718 19.229 1.00 0.00 H ATOM 199 N ARG A 26 10.333 -19.587 19.270 1.00 38.47 N ATOM 200 CA ARG A 26 9.865 -18.283 19.725 1.00 40.60 C ATOM 201 C ARG A 26 11.012 -17.460 20.294 1.00 43.26 C ATOM 202 O ARG A 26 11.096 -16.253 20.048 1.00 44.74 O ATOM 203 CB ARG A 26 8.761 -18.452 20.766 1.00 39.67 C ATOM 204 CG ARG A 26 8.211 -17.141 21.275 1.00 41.44 C ATOM 205 CD ARG A 26 6.966 -17.345 22.109 1.00 42.03 C ATOM 206 NE ARG A 26 7.272 -17.906 23.416 1.00 42.89 N ATOM 207 CZ ARG A 26 7.305 -17.201 24.546 1.00 46.36 C ATOM 208 NH1 ARG A 26 7.598 -17.800 25.689 1.00 46.64 N ATOM 209 NH2 ARG A 26 7.042 -15.899 24.542 1.00 49.04 N ATOM 210 HE ARG A 26 7.478 -18.924 23.472 1.00 0.00 H ATOM 211 HH12 ARG A 26 7.624 -17.251 26.572 1.00 0.00 H ATOM 212 HH11 ARG A 26 7.802 -18.820 25.704 1.00 0.00 H ATOM 213 HH22 ARG A 26 7.071 -15.360 25.431 1.00 0.00 H ATOM 214 HH21 ARG A 26 6.807 -15.419 23.650 1.00 0.00 H ATOM 215 H ARG A 26 10.054 -20.446 19.785 1.00 0.00 H ATOM 216 N SER A 27 11.913 -18.099 21.046 1.00 45.03 N ATOM 217 CA SER A 27 13.043 -17.377 21.626 1.00 48.43 C ATOM 218 C SER A 27 13.951 -16.798 20.552 1.00 49.47 C ATOM 219 O SER A 27 14.558 -15.741 20.757 1.00 52.10 O ATOM 220 CB SER A 27 13.841 -18.296 22.555 1.00 49.43 C ATOM 221 OG SER A 27 13.107 -18.588 23.731 1.00 51.46 O ATOM 222 HG SER A 27 12.260 -19.039 23.487 1.00 0.00 H ATOM 223 H SER A 27 11.809 -19.119 21.220 1.00 0.00 H ATOM 224 N ARG A 28 14.060 -17.467 19.410 1.00 47.60 N ATOM 225 CA ARG A 28 14.862 -16.975 18.302 1.00 49.27 C ATOM 226 C ARG A 28 14.037 -16.204 17.279 1.00 49.54 C ATOM 227 O ARG A 28 14.603 -15.699 16.304 1.00 51.35 O ATOM 228 CB ARG A 28 15.593 -18.140 17.626 1.00 49.93 C ATOM 229 CG ARG A 28 16.429 -18.977 18.579 1.00 51.60 C ATOM 230 CD ARG A 28 17.554 -19.702 17.857 1.00 54.70 C ATOM 231 NE ARG A 28 17.053 -20.589 16.810 1.00 55.23 N ATOM 232 CZ ARG A 28 17.821 -21.385 16.069 1.00 56.95 C ATOM 233 NH1 ARG A 28 19.132 -21.411 16.263 1.00 59.66 N ATOM 234 NH2 ARG A 28 17.281 -22.160 15.138 1.00 56.14 N ATOM 235 HE ARG A 28 16.028 -20.599 16.632 1.00 0.00 H ATOM 236 HH12 ARG A 28 19.731 -22.033 15.684 1.00 0.00 H ATOM 237 HH11 ARG A 28 19.561 -20.809 16.995 1.00 0.00 H ATOM 238 HH22 ARG A 28 17.886 -22.780 14.562 1.00 0.00 H ATOM 239 HH21 ARG A 28 16.253 -22.148 14.984 1.00 0.00 H ATOM 240 H ARG A 28 13.556 -18.371 19.305 1.00 0.00 H ATOM 241 N ASP A 29 12.720 -16.094 17.487 1.00 47.84 N ATOM 242 CA ASP A 29 11.822 -15.336 16.612 1.00 45.43 C ATOM 243 C ASP A 29 11.808 -15.933 15.206 1.00 42.84 C ATOM 244 O ASP A 29 11.981 -15.240 14.202 1.00 44.22 O ATOM 245 CB ASP A 29 12.193 -13.848 16.594 1.00 47.89 C ATOM 246 CG ASP A 29 11.095 -12.977 16.017 1.00 48.04 C ATOM 247 OD1 ASP A 29 11.268 -12.457 14.895 1.00 49.84 O ATOM 248 OD2 ASP A 29 10.046 -12.826 16.676 1.00 46.94 O ATOM 249 H ASP A 29 12.311 -16.573 18.315 1.00 0.00 H ATOM 250 N ILE A 30 11.596 -17.243 15.143 1.00 39.24 N ATOM 251 CA ILE A 30 11.583 -17.991 13.893 1.00 37.02 C ATOM 252 C ILE A 30 10.139 -18.348 13.568 1.00 35.54 C ATOM 253 O ILE A 30 9.494 -19.100 14.311 1.00 34.29 O ATOM 254 CB ILE A 30 12.460 -19.249 13.980 1.00 36.64 C ATOM 255 CG1 ILE A 30 13.930 -18.864 14.150 1.00 38.04 C ATOM 256 CG2 ILE A 30 12.277 -20.119 12.754 1.00 35.87 C ATOM 257 CD1 ILE A 30 14.868 -20.040 14.132 1.00 38.54 C ATOM 258 H ILE A 30 11.431 -17.760 16.030 1.00 0.00 H ATOM 259 N LEU A 31 9.633 -17.794 12.465 1.00 36.04 N ATOM 260 CA LEU A 31 8.312 -18.104 11.920 1.00 35.66 C ATOM 261 C LEU A 31 7.171 -17.669 12.832 1.00 34.63 C ATOM 262 O LEU A 31 6.035 -18.131 12.669 1.00 34.24 O ATOM 263 CB LEU A 31 8.176 -19.596 11.590 1.00 35.06 C ATOM 264 CG LEU A 31 8.824 -20.003 10.272 1.00 35.18 C ATOM 265 CD1 LEU A 31 8.549 -21.462 9.971 1.00 34.49 C ATOM 266 CD2 LEU A 31 8.323 -19.105 9.141 1.00 36.18 C ATOM 267 H LEU A 31 10.216 -17.096 11.960 1.00 0.00 H ATOM 268 N THR A 32 7.443 -16.796 13.798 1.00 34.91 N ATOM 269 CA THR A 32 6.356 -16.164 14.530 1.00 35.44 C ATOM 270 C THR A 32 5.581 -15.267 13.581 1.00 37.91 C ATOM 271 O THR A 32 6.156 -14.630 12.692 1.00 38.82 O ATOM 272 CB THR A 32 6.883 -15.358 15.719 1.00 35.26 C ATOM 273 OG1 THR A 32 7.827 -14.377 15.265 1.00 36.70 O ATOM 274 CG2 THR A 32 7.548 -16.283 16.728 1.00 34.49 C ATOM 275 HG1 THR A 32 8.163 -13.860 16.040 1.00 0.00 H ATOM 276 H THR A 32 8.430 -16.566 14.030 1.00 0.00 H ATOM 277 N ASP A 33 4.263 -15.224 13.767 1.00 39.28 N ATOM 278 CA ASP A 33 3.386 -14.612 12.777 1.00 42.62 C ATOM 279 C ASP A 33 2.376 -13.645 13.389 1.00 41.35 C ATOM 280 O ASP A 33 1.400 -13.284 12.728 1.00 42.16 O ATOM 281 CB ASP A 33 2.667 -15.703 11.986 1.00 46.73 C ATOM 282 CG ASP A 33 2.137 -16.810 12.879 1.00 49.81 C ATOM 283 OD1 ASP A 33 1.106 -17.423 12.519 1.00 53.19 O ATOM 284 OD2 ASP A 33 2.749 -17.060 13.944 1.00 50.35 O ATOM 285 H ASP A 33 3.854 -15.633 14.631 1.00 0.00 H ATOM 286 N VAL A 34 2.586 -13.200 14.627 1.00 39.93 N ATOM 287 CA VAL A 34 1.661 -12.265 15.258 1.00 39.76 C ATOM 288 C VAL A 34 2.376 -11.558 16.395 1.00 39.02 C ATOM 289 O VAL A 34 3.223 -12.140 17.078 1.00 38.14 O ATOM 290 CB VAL A 34 0.376 -12.982 15.751 1.00 38.77 C ATOM 291 CG1 VAL A 34 0.664 -13.869 16.952 1.00 36.57 C ATOM 292 CG2 VAL A 34 -0.714 -11.963 16.073 1.00 39.82 C ATOM 293 H VAL A 34 3.423 -13.524 15.152 1.00 0.00 H ATOM 294 N VAL A 35 2.041 -10.285 16.587 1.00 39.86 N ATOM 295 CA VAL A 35 2.446 -9.511 17.753 1.00 39.59 C ATOM 296 C VAL A 35 1.214 -9.306 18.620 1.00 37.69 C ATOM 297 O VAL A 35 0.175 -8.849 18.128 1.00 38.58 O ATOM 298 CB VAL A 35 3.055 -8.152 17.358 1.00 43.06 C ATOM 299 CG1 VAL A 35 3.249 -7.274 18.594 1.00 43.88 C ATOM 300 CG2 VAL A 35 4.369 -8.337 16.640 1.00 44.29 C ATOM 301 H VAL A 35 1.458 -9.816 15.865 1.00 0.00 H ATOM 302 N ILE A 36 1.323 -9.645 19.902 1.00 35.53 N ATOM 303 CA ILE A 36 0.277 -9.359 20.878 1.00 34.56 C ATOM 304 C ILE A 36 0.674 -8.105 21.645 1.00 35.63 C ATOM 305 O ILE A 36 1.738 -8.058 22.274 1.00 35.27 O ATOM 306 CB ILE A 36 0.050 -10.542 21.832 1.00 32.51 C ATOM 307 CG1 ILE A 36 -0.203 -11.822 21.036 1.00 31.33 C ATOM 308 CG2 ILE A 36 -1.117 -10.243 22.767 1.00 32.47 C ATOM 309 CD1 ILE A 36 -1.437 -11.761 20.180 1.00 32.16 C ATOM 310 H ILE A 36 2.185 -10.132 20.220 1.00 0.00 H ATOM 311 N VAL A 37 -0.176 -7.085 21.585 1.00 37.35 N ATOM 312 CA VAL A 37 0.069 -5.808 22.242 1.00 39.41 C ATOM 313 C VAL A 37 -0.786 -5.748 23.499 1.00 39.28 C ATOM 314 O VAL A 37 -2.018 -5.848 23.431 1.00 36.73 O ATOM 315 CB VAL A 37 -0.240 -4.628 21.309 1.00 41.57 C ATOM 316 CG1 VAL A 37 0.395 -3.345 21.841 1.00 43.62 C ATOM 317 CG2 VAL A 37 0.241 -4.933 19.903 1.00 42.23 C ATOM 318 H VAL A 37 -1.056 -7.204 21.044 1.00 0.00 H ATOM 319 N VAL A 38 -0.132 -5.588 24.645 1.00 40.04 N ATOM 320 CA VAL A 38 -0.795 -5.512 25.938 1.00 40.72 C ATOM 321 C VAL A 38 -0.374 -4.194 26.573 1.00 43.93 C ATOM 322 O VAL A 38 0.757 -4.068 27.060 1.00 44.75 O ATOM 323 CB VAL A 38 -0.441 -6.705 26.836 1.00 39.39 C ATOM 324 CG1 VAL A 38 -1.329 -6.717 28.060 1.00 36.18 C ATOM 325 CG2 VAL A 38 -0.577 -8.007 26.062 1.00 34.04 C ATOM 326 H VAL A 38 0.905 -5.513 24.616 1.00 0.00 H ATOM 327 N SER A 39 -1.285 -3.216 26.570 1.00 46.26 N ATOM 328 CA SER A 39 -0.985 -1.849 26.981 1.00 50.41 C ATOM 329 C SER A 39 0.217 -1.335 26.200 1.00 54.57 C ATOM 330 O SER A 39 0.093 -0.981 25.023 1.00 55.70 O ATOM 331 CB SER A 39 -0.741 -1.765 28.491 1.00 50.02 C ATOM 332 OG SER A 39 -1.929 -2.050 29.211 1.00 48.01 O ATOM 333 HG SER A 39 -1.747 -1.990 30.182 1.00 0.00 H ATOM 334 H SER A 39 -2.252 -3.440 26.260 1.00 0.00 H ATOM 335 N ARG A 40 1.386 -1.305 26.837 1.00 57.44 N ATOM 336 CA ARG A 40 2.610 -0.886 26.166 1.00 61.23 C ATOM 337 C ARG A 40 3.441 -2.049 25.640 1.00 59.58 C ATOM 338 O ARG A 40 4.165 -1.883 24.652 1.00 60.43 O ATOM 339 CB ARG A 40 3.466 -0.047 27.118 1.00 66.28 C ATOM 340 CG ARG A 40 2.757 1.187 27.658 1.00 69.80 C ATOM 341 CD ARG A 40 3.584 1.840 28.739 1.00 74.41 C ATOM 342 NE ARG A 40 3.092 3.165 29.094 1.00 78.88 N ATOM 343 CZ ARG A 40 3.634 3.922 30.042 1.00 83.74 C ATOM 344 NH1 ARG A 40 4.678 3.469 30.720 1.00 85.33 N ATOM 345 NH2 ARG A 40 3.136 5.125 30.313 1.00 87.06 N ATOM 346 HE ARG A 40 2.271 3.539 28.577 1.00 0.00 H ATOM 347 HH12 ARG A 40 5.109 4.054 31.464 1.00 0.00 H ATOM 348 HH11 ARG A 40 5.067 2.528 30.509 1.00 0.00 H ATOM 349 HH22 ARG A 40 3.567 5.711 31.057 1.00 0.00 H ATOM 350 HH21 ARG A 40 2.316 5.480 29.781 1.00 0.00 H ATOM 351 H ARG A 40 1.426 -1.587 27.837 1.00 0.00 H ATOM 352 N GLU A 41 3.339 -3.222 26.257 1.00 57.57 N ATOM 353 CA GLU A 41 4.246 -4.320 25.967 1.00 55.52 C ATOM 354 C GLU A 41 3.812 -5.084 24.723 1.00 51.67 C ATOM 355 O GLU A 41 2.626 -5.155 24.387 1.00 50.67 O ATOM 356 CB GLU A 41 4.322 -5.267 27.164 1.00 55.53 C ATOM 357 CG GLU A 41 4.687 -4.569 28.469 1.00 59.52 C ATOM 358 CD GLU A 41 5.996 -3.810 28.372 1.00 64.46 C ATOM 359 OE1 GLU A 41 6.984 -4.382 27.864 1.00 65.24 O ATOM 360 OE2 GLU A 41 6.034 -2.635 28.791 1.00 68.31 O ATOM 361 H GLU A 41 2.590 -3.358 26.966 1.00 0.00 H ATOM 362 N GLN A 42 4.794 -5.663 24.038 1.00 49.10 N ATOM 363 CA GLN A 42 4.562 -6.467 22.850 1.00 45.04 C ATOM 364 C GLN A 42 5.105 -7.871 23.070 1.00 42.44 C ATOM 365 O GLN A 42 6.189 -8.045 23.635 1.00 44.62 O ATOM 366 CB GLN A 42 5.219 -5.840 21.621 1.00 46.08 C ATOM 367 CG GLN A 42 4.669 -4.482 21.264 1.00 48.57 C ATOM 368 CD GLN A 42 5.333 -3.904 20.039 1.00 51.63 C ATOM 369 OE1 GLN A 42 5.554 -4.605 19.052 1.00 50.90 O ATOM 370 NE2 GLN A 42 5.666 -2.620 20.096 1.00 55.57 N ATOM 371 HE22 GLN A 42 5.459 -2.067 20.952 1.00 0.00 H ATOM 372 HE21 GLN A 42 6.134 -2.168 19.285 1.00 0.00 H ATOM 373 H GLN A 42 5.772 -5.535 24.367 1.00 0.00 H ATOM 374 N PHE A 43 4.343 -8.866 22.624 1.00 38.75 N ATOM 375 CA PHE A 43 4.718 -10.270 22.747 1.00 37.25 C ATOM 376 C PHE A 43 4.518 -10.944 21.399 1.00 36.19 C ATOM 377 O PHE A 43 3.395 -10.989 20.886 1.00 35.20 O ATOM 378 CB PHE A 43 3.887 -10.977 23.824 1.00 36.41 C ATOM 379 CG PHE A 43 3.995 -10.351 25.183 1.00 38.33 C ATOM 380 CD1 PHE A 43 3.120 -9.348 25.568 1.00 34.43 C ATOM 381 CD2 PHE A 43 4.973 -10.766 26.076 1.00 39.90 C ATOM 382 CE1 PHE A 43 3.220 -8.768 26.821 1.00 44.86 C ATOM 383 CE2 PHE A 43 5.078 -10.192 27.331 1.00 37.09 C ATOM 384 CZ PHE A 43 4.201 -9.193 27.706 1.00 37.46 C ATOM 385 H PHE A 43 3.439 -8.632 22.167 1.00 0.00 H ATOM 386 N ARG A 44 5.600 -11.460 20.828 1.00 37.03 N ATOM 387 CA ARG A 44 5.529 -12.176 19.563 1.00 36.78 C ATOM 388 C ARG A 44 5.365 -13.666 19.823 1.00 35.29 C ATOM 389 O ARG A 44 5.956 -14.213 20.759 1.00 35.57 O ATOM 390 CB ARG A 44 6.781 -11.915 18.727 1.00 38.35 C ATOM 391 CG ARG A 44 6.918 -10.472 18.273 1.00 40.56 C ATOM 392 CD ARG A 44 7.964 -10.351 17.189 1.00 42.52 C ATOM 393 NE ARG A 44 7.768 -11.363 16.158 1.00 42.35 N ATOM 394 CZ ARG A 44 7.000 -11.201 15.085 1.00 43.75 C ATOM 395 NH1 ARG A 44 6.357 -10.059 14.896 1.00 45.79 N ATOM 396 NH2 ARG A 44 6.878 -12.181 14.196 1.00 43.10 N ATOM 397 HE ARG A 44 8.262 -12.272 16.269 1.00 0.00 H ATOM 398 HH12 ARG A 44 5.756 -9.933 14.056 1.00 0.00 H ATOM 399 HH11 ARG A 44 6.453 -9.288 15.587 1.00 0.00 H ATOM 400 HH22 ARG A 44 6.276 -12.051 13.358 1.00 0.00 H ATOM 401 HH21 ARG A 44 7.384 -13.078 14.338 1.00 0.00 H ATOM 402 H ARG A 44 6.522 -11.350 21.297 1.00 0.00 H ATOM 403 N ALA A 45 4.558 -14.321 18.991 1.00 34.65 N ATOM 404 CA ALA A 45 4.197 -15.715 19.217 1.00 34.23 C ATOM 405 C ALA A 45 3.746 -16.343 17.903 1.00 34.45 C ATOM 406 O ALA A 45 3.665 -15.684 16.863 1.00 35.31 O ATOM 407 CB ALA A 45 3.102 -15.835 20.279 1.00 34.10 C ATOM 408 H ALA A 45 4.176 -13.826 18.160 1.00 0.00 H ATOM 409 N HIS A 46 3.456 -17.638 17.966 1.00 34.32 N ATOM 410 CA HIS A 46 2.886 -18.378 16.852 1.00 34.60 C ATOM 411 C HIS A 46 1.379 -18.475 17.044 1.00 35.47 C ATOM 412 O HIS A 46 0.911 -18.856 18.123 1.00 35.30 O ATOM 413 CB HIS A 46 3.506 -19.771 16.754 1.00 34.32 C ATOM 414 CG HIS A 46 5.000 -19.759 16.694 1.00 34.49 C ATOM 415 ND1 HIS A 46 5.792 -19.816 17.821 1.00 34.57 N ATOM 416 CD2 HIS A 46 5.849 -19.685 15.641 1.00 34.59 C ATOM 417 CE1 HIS A 46 7.064 -19.788 17.464 1.00 34.90 C ATOM 418 NE2 HIS A 46 7.126 -19.708 16.147 1.00 34.65 N ATOM 419 H HIS A 46 3.646 -18.146 18.853 1.00 0.00 H ATOM 420 N LYS A 47 0.625 -18.101 16.006 1.00 38.16 N ATOM 421 CA LYS A 47 -0.830 -18.161 16.090 1.00 36.41 C ATOM 422 C LYS A 47 -1.306 -19.543 16.507 1.00 34.56 C ATOM 423 O LYS A 47 -2.204 -19.672 17.347 1.00 33.42 O ATOM 424 CB LYS A 47 -1.457 -17.794 14.747 1.00 38.21 C ATOM 425 CG LYS A 47 -1.432 -16.330 14.382 1.00 40.05 C ATOM 426 CD LYS A 47 -2.342 -16.116 13.188 1.00 40.97 C ATOM 427 CE LYS A 47 -2.362 -14.681 12.738 1.00 42.13 C ATOM 428 NZ LYS A 47 -1.302 -14.369 11.752 1.00 44.73 N ATOM 429 HZ1 LYS A 47 -0.371 -14.555 12.176 1.00 0.00 H ATOM 430 HZ2 LYS A 47 -1.427 -14.967 10.910 1.00 0.00 H ATOM 431 HZ3 LYS A 47 -1.367 -13.367 11.480 1.00 0.00 H ATOM 432 H LYS A 47 1.079 -17.765 15.133 1.00 0.00 H ATOM 433 N THR A 48 -0.712 -20.586 15.920 1.00 34.55 N ATOM 434 CA THR A 48 -1.158 -21.953 16.165 1.00 33.68 C ATOM 435 C THR A 48 -1.105 -22.296 17.649 1.00 33.24 C ATOM 436 O THR A 48 -2.061 -22.851 18.204 1.00 34.05 O ATOM 437 CB THR A 48 -0.304 -22.926 15.351 1.00 35.06 C ATOM 438 OG1 THR A 48 1.079 -22.717 15.658 1.00 35.96 O ATOM 439 CG2 THR A 48 -0.517 -22.700 13.869 1.00 36.26 C ATOM 440 HG1 THR A 48 1.329 -21.787 15.431 1.00 0.00 H ATOM 441 H THR A 48 0.086 -20.419 15.274 1.00 0.00 H ATOM 442 N VAL A 49 0.010 -21.968 18.309 1.00 32.55 N ATOM 443 CA VAL A 49 0.127 -22.210 19.742 1.00 29.60 C ATOM 444 C VAL A 49 -0.890 -21.376 20.501 1.00 36.45 C ATOM 445 O VAL A 49 -1.464 -21.822 21.502 1.00 29.28 O ATOM 446 CB VAL A 49 1.561 -21.912 20.215 1.00 34.04 C ATOM 447 CG1 VAL A 49 1.716 -22.233 21.704 1.00 31.18 C ATOM 448 CG2 VAL A 49 2.559 -22.683 19.378 1.00 31.96 C ATOM 449 H VAL A 49 0.803 -21.535 17.794 1.00 0.00 H ATOM 450 N LEU A 50 -1.131 -20.150 20.034 1.00 36.08 N ATOM 451 CA LEU A 50 -2.018 -19.243 20.752 1.00 36.03 C ATOM 452 C LEU A 50 -3.442 -19.776 20.789 1.00 35.50 C ATOM 453 O LEU A 50 -4.095 -19.746 21.840 1.00 35.58 O ATOM 454 CB LEU A 50 -1.972 -17.855 20.113 1.00 36.30 C ATOM 455 CG LEU A 50 -1.299 -16.756 20.937 1.00 37.11 C ATOM 456 CD1 LEU A 50 -0.046 -17.282 21.622 1.00 38.10 C ATOM 457 CD2 LEU A 50 -0.958 -15.576 20.044 1.00 36.96 C ATOM 458 H LEU A 50 -0.682 -19.838 19.149 1.00 0.00 H ATOM 459 N MET A 51 -3.940 -20.283 19.657 1.00 35.04 N ATOM 460 CA MET A 51 -5.313 -20.768 19.614 1.00 35.59 C ATOM 461 C MET A 51 -5.455 -22.197 20.130 1.00 36.40 C ATOM 462 O MET A 51 -6.574 -22.615 20.449 1.00 37.66 O ATOM 463 CB MET A 51 -5.879 -20.636 18.192 1.00 35.65 C ATOM 464 CG MET A 51 -5.042 -21.239 17.083 1.00 35.69 C ATOM 465 SD MET A 51 -5.670 -20.848 15.424 1.00 36.19 S ATOM 466 CE MET A 51 -7.379 -21.380 15.523 1.00 37.26 C ATOM 467 H MET A 51 -3.346 -20.331 18.805 1.00 0.00 H ATOM 468 N ALA A 52 -4.355 -22.943 20.248 1.00 36.03 N ATOM 469 CA ALA A 52 -4.401 -24.254 20.881 1.00 37.35 C ATOM 470 C ALA A 52 -4.463 -24.174 22.402 1.00 38.28 C ATOM 471 O ALA A 52 -4.755 -25.189 23.044 1.00 39.96 O ATOM 472 CB ALA A 52 -3.187 -25.091 20.462 1.00 37.19 C ATOM 473 H ALA A 52 -3.451 -22.583 19.882 1.00 0.00 H ATOM 474 N CYS A 53 -4.210 -23.000 22.990 1.00 37.36 N ATOM 475 CA CYS A 53 -4.217 -22.834 24.436 1.00 38.19 C ATOM 476 C CYS A 53 -5.299 -21.898 24.952 1.00 39.12 C ATOM 477 O CYS A 53 -5.759 -22.077 26.082 1.00 41.29 O ATOM 478 CB CYS A 53 -2.857 -22.310 24.921 1.00 37.58 C ATOM 479 SG CYS A 53 -1.451 -23.340 24.458 1.00 37.09 S ATOM 480 H CYS A 53 -4.001 -22.175 22.392 1.00 0.00 H ATOM 481 N SER A 54 -5.719 -20.913 24.165 1.00 38.27 N ATOM 482 CA SER A 54 -6.620 -19.866 24.627 1.00 39.06 C ATOM 483 C SER A 54 -7.919 -19.907 23.838 1.00 39.85 C ATOM 484 O SER A 54 -7.898 -19.981 22.607 1.00 38.81 O ATOM 485 CB SER A 54 -5.967 -18.489 24.488 1.00 37.53 C ATOM 486 OG SER A 54 -6.917 -17.462 24.695 1.00 38.71 O ATOM 487 HG SER A 54 -7.299 -17.545 25.605 1.00 0.00 H ATOM 488 H SER A 54 -5.391 -20.889 23.178 1.00 0.00 H ATOM 489 N GLY A 55 -9.048 -19.853 24.546 1.00 42.60 N ATOM 490 CA GLY A 55 -10.335 -19.813 23.879 1.00 44.17 C ATOM 491 C GLY A 55 -10.620 -18.506 23.172 1.00 43.72 C ATOM 492 O GLY A 55 -11.413 -18.487 22.226 1.00 44.30 O ATOM 493 H GLY A 55 -9.005 -19.839 25.585 1.00 0.00 H ATOM 494 N LEU A 56 -9.997 -17.412 23.613 1.00 43.06 N ATOM 495 CA LEU A 56 -10.175 -16.132 22.938 1.00 42.07 C ATOM 496 C LEU A 56 -9.383 -16.084 21.636 1.00 39.48 C ATOM 497 O LEU A 56 -9.915 -15.693 20.592 1.00 39.13 O ATOM 498 CB LEU A 56 -9.764 -14.985 23.865 1.00 42.63 C ATOM 499 CG LEU A 56 -9.728 -13.599 23.217 1.00 41.78 C ATOM 500 CD1 LEU A 56 -11.118 -13.178 22.765 1.00 42.96 C ATOM 501 CD2 LEU A 56 -9.155 -12.576 24.178 1.00 43.47 C ATOM 502 H LEU A 56 -9.378 -17.473 24.447 1.00 0.00 H ATOM 503 N PHE A 57 -8.105 -16.472 21.680 1.00 37.83 N ATOM 504 CA PHE A 57 -7.317 -16.513 20.456 1.00 36.30 C ATOM 505 C PHE A 57 -7.876 -17.532 19.478 1.00 36.09 C ATOM 506 O PHE A 57 -7.767 -17.350 18.260 1.00 35.26 O ATOM 507 CB PHE A 57 -5.859 -16.826 20.777 1.00 36.24 C ATOM 508 CG PHE A 57 -5.128 -15.682 21.405 1.00 37.74 C ATOM 509 CD1 PHE A 57 -5.216 -14.411 20.861 1.00 38.62 C ATOM 510 CD2 PHE A 57 -4.369 -15.869 22.551 1.00 38.32 C ATOM 511 CE1 PHE A 57 -4.549 -13.346 21.442 1.00 40.05 C ATOM 512 CE2 PHE A 57 -3.704 -14.809 23.134 1.00 39.93 C ATOM 513 CZ PHE A 57 -3.793 -13.546 22.581 1.00 40.66 C ATOM 514 H PHE A 57 -7.674 -16.744 22.587 1.00 0.00 H ATOM 515 N TYR A 58 -8.480 -18.606 19.993 1.00 36.68 N ATOM 516 CA TYR A 58 -9.141 -19.566 19.120 1.00 36.65 C ATOM 517 C TYR A 58 -10.263 -18.902 18.338 1.00 37.41 C ATOM 518 O TYR A 58 -10.332 -19.021 17.113 1.00 37.30 O ATOM 519 CB TYR A 58 -9.678 -20.744 19.934 1.00 38.14 C ATOM 520 CG TYR A 58 -10.549 -21.669 19.121 1.00 39.89 C ATOM 521 CD1 TYR A 58 -9.988 -22.623 18.281 1.00 39.78 C ATOM 522 CD2 TYR A 58 -11.934 -21.581 19.183 1.00 43.16 C ATOM 523 CE1 TYR A 58 -10.783 -23.468 17.525 1.00 42.76 C ATOM 524 CE2 TYR A 58 -12.738 -22.420 18.430 1.00 46.13 C ATOM 525 CZ TYR A 58 -12.157 -23.361 17.604 1.00 46.04 C ATOM 526 OH TYR A 58 -12.956 -24.197 16.857 1.00 49.76 O ATOM 527 HH TYR A 58 -12.386 -24.807 16.324 1.00 0.00 H ATOM 528 H TYR A 58 -8.478 -18.757 21.022 1.00 0.00 H ATOM 529 N SER A 59 -11.150 -18.188 19.030 1.00 39.13 N ATOM 530 CA SER A 59 -12.280 -17.566 18.352 1.00 40.48 C ATOM 531 C SER A 59 -11.848 -16.439 17.420 1.00 39.34 C ATOM 532 O SER A 59 -12.592 -16.101 16.494 1.00 40.71 O ATOM 533 CB SER A 59 -13.287 -17.047 19.377 1.00 42.40 C ATOM 534 OG SER A 59 -12.712 -16.025 20.167 1.00 41.68 O ATOM 535 HG SER A 59 -11.923 -16.384 20.645 1.00 0.00 H ATOM 536 H SER A 59 -11.035 -18.074 20.057 1.00 0.00 H ATOM 537 N ILE A 60 -10.667 -15.860 17.634 1.00 37.70 N ATOM 538 CA ILE A 60 -10.182 -14.813 16.743 1.00 37.29 C ATOM 539 C ILE A 60 -9.657 -15.411 15.449 1.00 37.41 C ATOM 540 O ILE A 60 -10.041 -14.993 14.352 1.00 38.44 O ATOM 541 CB ILE A 60 -9.103 -13.967 17.441 1.00 36.76 C ATOM 542 CG1 ILE A 60 -9.732 -13.068 18.508 1.00 38.04 C ATOM 543 CG2 ILE A 60 -8.323 -13.154 16.412 1.00 36.46 C ATOM 544 CD1 ILE A 60 -8.716 -12.375 19.373 1.00 38.31 C ATOM 545 H ILE A 60 -10.086 -16.158 18.444 1.00 0.00 H ATOM 546 N PHE A 61 -8.771 -16.400 15.556 1.00 37.11 N ATOM 547 CA PHE A 61 -8.103 -16.927 14.374 1.00 38.18 C ATOM 548 C PHE A 61 -8.911 -18.003 13.660 1.00 38.87 C ATOM 549 O PHE A 61 -8.615 -18.308 12.501 1.00 39.73 O ATOM 550 CB PHE A 61 -6.720 -17.454 14.757 1.00 38.64 C ATOM 551 CG PHE A 61 -5.810 -16.392 15.303 1.00 39.23 C ATOM 552 CD1 PHE A 61 -5.643 -15.193 14.624 1.00 40.51 C ATOM 553 CD2 PHE A 61 -5.144 -16.576 16.504 1.00 38.91 C ATOM 554 CE1 PHE A 61 -4.817 -14.202 15.129 1.00 41.36 C ATOM 555 CE2 PHE A 61 -4.317 -15.591 17.013 1.00 39.59 C ATOM 556 CZ PHE A 61 -4.154 -14.400 16.324 1.00 40.95 C ATOM 557 H PHE A 61 -8.554 -16.799 16.492 1.00 0.00 H ATOM 558 N THR A 62 -9.927 -18.572 14.311 1.00 55.93 N ATOM 559 CA THR A 62 -10.824 -19.488 13.617 1.00 55.71 C ATOM 560 C THR A 62 -11.685 -18.762 12.593 1.00 51.71 C ATOM 561 O THR A 62 -12.220 -19.405 11.683 1.00 50.83 O ATOM 562 CB THR A 62 -11.714 -20.222 14.624 1.00 58.89 C ATOM 563 OG1 THR A 62 -12.320 -21.360 14.001 1.00 60.64 O ATOM 564 CG2 THR A 62 -12.806 -19.300 15.142 1.00 57.61 C ATOM 565 HG1 THR A 62 -12.871 -21.061 13.235 1.00 0.00 H ATOM 566 H THR A 62 -10.080 -18.361 15.318 1.00 0.00 H ATOM 567 N ASP A 63 -11.828 -17.443 12.726 1.00 49.60 N ATOM 568 CA ASP A 63 -12.571 -16.631 11.771 1.00 47.21 C ATOM 569 C ASP A 63 -11.655 -16.289 10.603 1.00 45.96 C ATOM 570 O ASP A 63 -10.596 -15.678 10.793 1.00 46.22 O ATOM 571 CB ASP A 63 -13.099 -15.366 12.450 1.00 46.36 C ATOM 572 CG ASP A 63 -14.010 -14.537 11.549 1.00 45.03 C ATOM 573 OD1 ASP A 63 -14.507 -15.058 10.526 1.00 44.58 O ATOM 574 OD2 ASP A 63 -14.230 -13.351 11.873 1.00 44.69 O ATOM 575 H ASP A 63 -11.391 -16.974 13.545 1.00 0.00 H ATOM 576 N GLN A 64 -12.054 -16.694 9.396 1.00 44.81 N ATOM 577 CA GLN A 64 -11.231 -16.457 8.217 1.00 45.34 C ATOM 578 C GLN A 64 -10.988 -14.976 7.969 1.00 45.27 C ATOM 579 O GLN A 64 -10.010 -14.625 7.302 1.00 46.19 O ATOM 580 CB GLN A 64 -11.889 -17.087 6.993 1.00 41.42 C ATOM 581 CG GLN A 64 -12.091 -18.585 7.105 1.00 42.93 C ATOM 582 CD GLN A 64 -13.185 -19.084 6.187 1.00 42.54 C ATOM 583 OE1 GLN A 64 -12.961 -19.954 5.342 1.00 46.11 O ATOM 584 NE2 GLN A 64 -14.382 -18.531 6.344 1.00 41.25 N ATOM 585 HE22 GLN A 64 -14.526 -17.800 7.070 1.00 0.00 H ATOM 586 HE21 GLN A 64 -15.175 -18.829 5.741 1.00 0.00 H ATOM 587 H GLN A 64 -12.965 -17.186 9.295 1.00 0.00 H ATOM 588 N LEU A 65 -11.854 -14.105 8.494 1.00 45.52 N ATOM 589 CA LEU A 65 -11.685 -12.668 8.315 1.00 45.46 C ATOM 590 C LEU A 65 -10.537 -12.125 9.151 1.00 45.16 C ATOM 591 O LEU A 65 -9.874 -11.167 8.741 1.00 43.63 O ATOM 592 CB LEU A 65 -12.979 -11.939 8.677 1.00 45.37 C ATOM 593 CG LEU A 65 -14.253 -12.399 7.967 1.00 45.52 C ATOM 594 CD1 LEU A 65 -15.483 -11.775 8.618 1.00 46.08 C ATOM 595 CD2 LEU A 65 -14.194 -12.072 6.479 1.00 44.91 C ATOM 596 H LEU A 65 -12.665 -14.459 9.041 1.00 0.00 H ATOM 597 N LYS A 66 -10.294 -12.711 10.321 1.00 47.20 N ATOM 598 CA LYS A 66 -9.268 -12.233 11.235 1.00 48.19 C ATOM 599 C LYS A 66 -8.032 -13.117 11.247 1.00 48.49 C ATOM 600 O LYS A 66 -7.080 -12.818 11.973 1.00 48.97 O ATOM 601 CB LYS A 66 -9.832 -12.128 12.655 1.00 49.66 C ATOM 602 CG LYS A 66 -11.138 -11.354 12.759 1.00 50.88 C ATOM 603 CD LYS A 66 -11.634 -11.304 14.201 1.00 52.72 C ATOM 604 CE LYS A 66 -12.984 -10.618 14.300 1.00 53.12 C ATOM 605 NZ LYS A 66 -13.457 -10.558 15.710 1.00 55.24 N ATOM 606 HZ1 LYS A 66 -13.547 -11.524 16.085 1.00 0.00 H ATOM 607 HZ2 LYS A 66 -12.771 -10.025 16.282 1.00 0.00 H ATOM 608 HZ3 LYS A 66 -14.382 -10.084 15.744 1.00 0.00 H ATOM 609 H LYS A 66 -10.858 -13.541 10.592 1.00 0.00 H ATOM 610 N ARG A 67 -8.019 -14.188 10.452 1.00 48.26 N ATOM 611 CA ARG A 67 -6.950 -15.173 10.541 1.00 50.83 C ATOM 612 C ARG A 67 -5.605 -14.630 10.075 1.00 52.59 C ATOM 613 O ARG A 67 -4.564 -15.164 10.470 1.00 55.08 O ATOM 614 CB ARG A 67 -7.332 -16.415 9.731 1.00 51.83 C ATOM 615 CG ARG A 67 -6.411 -17.601 9.917 1.00 55.12 C ATOM 616 CD ARG A 67 -6.918 -18.800 9.150 1.00 57.01 C ATOM 617 NE ARG A 67 -8.264 -19.182 9.566 1.00 56.11 N ATOM 618 CZ ARG A 67 -8.919 -20.239 9.095 1.00 56.76 C ATOM 619 NH1 ARG A 67 -8.350 -21.023 8.190 1.00 58.63 N ATOM 620 NH2 ARG A 67 -10.141 -20.513 9.530 1.00 55.83 N ATOM 621 HE ARG A 67 -8.741 -18.590 10.276 1.00 0.00 H ATOM 622 HH12 ARG A 67 -8.863 -21.850 7.822 1.00 0.00 H ATOM 623 HH11 ARG A 67 -7.391 -20.811 7.848 1.00 0.00 H ATOM 624 HH22 ARG A 67 -10.651 -21.340 9.160 1.00 0.00 H ATOM 625 HH21 ARG A 67 -10.589 -19.901 10.241 1.00 0.00 H ATOM 626 H ARG A 67 -8.783 -14.321 9.759 1.00 0.00 H ATOM 627 N ASN A 68 -5.591 -13.579 9.263 1.00 52.01 N ATOM 628 CA ASN A 68 -4.347 -13.071 8.705 1.00 53.36 C ATOM 629 C ASN A 68 -3.784 -11.881 9.475 1.00 50.88 C ATOM 630 O ASN A 68 -2.757 -11.330 9.069 1.00 51.86 O ATOM 631 CB ASN A 68 -4.550 -12.695 7.237 1.00 54.86 C ATOM 632 CG ASN A 68 -3.312 -12.934 6.405 1.00 58.68 C ATOM 633 OD1 ASN A 68 -2.578 -12.001 6.078 1.00 59.80 O ATOM 634 ND2 ASN A 68 -3.063 -14.197 6.067 1.00 60.92 N ATOM 635 HD22 ASN A 68 -3.712 -14.953 6.366 1.00 0.00 H ATOM 636 HD21 ASN A 68 -2.220 -14.428 5.504 1.00 0.00 H ATOM 637 H ASN A 68 -6.487 -13.110 9.021 1.00 0.00 H ATOM 638 N LEU A 69 -4.422 -11.480 10.572 1.00 47.80 N ATOM 639 CA LEU A 69 -3.935 -10.349 11.349 1.00 45.87 C ATOM 640 C LEU A 69 -2.565 -10.652 11.942 1.00 47.17 C ATOM 641 O LEU A 69 -2.320 -11.744 12.451 1.00 49.09 O ATOM 642 CB LEU A 69 -4.926 -10.017 12.462 1.00 44.32 C ATOM 643 CG LEU A 69 -6.266 -9.437 12.013 1.00 43.70 C ATOM 644 CD1 LEU A 69 -7.232 -9.356 13.193 1.00 43.60 C ATOM 645 CD2 LEU A 69 -6.057 -8.068 11.380 1.00 43.30 C ATOM 646 H LEU A 69 -5.280 -11.981 10.878 1.00 0.00 H ATOM 647 N SER A 70 -1.666 -9.676 11.874 1.00 46.59 N ATOM 648 CA SER A 70 -0.341 -9.811 12.462 1.00 47.49 C ATOM 649 C SER A 70 -0.196 -9.052 13.772 1.00 46.36 C ATOM 650 O SER A 70 0.860 -9.130 14.405 1.00 47.87 O ATOM 651 CB SER A 70 0.726 -9.336 11.475 1.00 48.51 C ATOM 652 OG SER A 70 0.435 -8.028 11.023 1.00 46.89 O ATOM 653 HG SER A 70 1.135 -7.737 10.386 1.00 0.00 H ATOM 654 H SER A 70 -1.916 -8.791 11.387 1.00 0.00 H ATOM 655 N VAL A 71 -1.224 -8.322 14.193 1.00 40.74 N ATOM 656 CA VAL A 71 -1.195 -7.559 15.435 1.00 40.52 C ATOM 657 C VAL A 71 -2.539 -7.721 16.128 1.00 41.08 C ATOM 658 O VAL A 71 -3.590 -7.537 15.507 1.00 42.48 O ATOM 659 CB VAL A 71 -0.891 -6.066 15.191 1.00 40.92 C ATOM 660 CG1 VAL A 71 -1.123 -5.261 16.461 1.00 39.85 C ATOM 661 CG2 VAL A 71 0.535 -5.882 14.705 1.00 41.69 C ATOM 662 H VAL A 71 -2.086 -8.294 13.612 1.00 0.00 H ATOM 663 N ILE A 72 -2.511 -8.065 17.410 1.00 41.20 N ATOM 664 CA ILE A 72 -3.716 -8.144 18.228 1.00 42.72 C ATOM 665 C ILE A 72 -3.538 -7.217 19.420 1.00 43.70 C ATOM 666 O ILE A 72 -2.557 -7.334 20.166 1.00 42.33 O ATOM 667 CB ILE A 72 -4.011 -9.579 18.690 1.00 41.12 C ATOM 668 CG1 ILE A 72 -4.201 -10.498 17.482 1.00 41.83 C ATOM 669 CG2 ILE A 72 -5.249 -9.597 19.569 1.00 40.77 C ATOM 670 CD1 ILE A 72 -5.344 -10.095 16.587 1.00 43.67 C ATOM 671 H ILE A 72 -1.594 -8.287 17.848 1.00 0.00 H ATOM 672 N ASN A 73 -4.477 -6.293 19.591 1.00 46.83 N ATOM 673 CA ASN A 73 -4.501 -5.395 20.738 1.00 47.49 C ATOM 674 C ASN A 73 -5.461 -5.969 21.771 1.00 47.55 C ATOM 675 O ASN A 73 -6.677 -5.988 21.552 1.00 50.48 O ATOM 676 CB ASN A 73 -4.923 -3.991 20.321 1.00 50.29 C ATOM 677 CG ASN A 73 -3.931 -3.348 19.392 1.00 51.22 C ATOM 678 OD1 ASN A 73 -2.723 -3.437 19.606 1.00 51.34 O ATOM 679 ND2 ASN A 73 -4.429 -2.706 18.346 1.00 52.73 N ATOM 680 HD22 ASN A 73 -5.459 -2.658 18.207 1.00 0.00 H ATOM 681 HD21 ASN A 73 -3.790 -2.250 17.663 1.00 0.00 H ATOM 682 H ASN A 73 -5.227 -6.207 18.876 1.00 0.00 H ATOM 683 N LEU A 74 -4.915 -6.445 22.886 1.00 44.43 N ATOM 684 CA LEU A 74 -5.764 -6.900 23.970 1.00 43.77 C ATOM 685 C LEU A 74 -6.439 -5.709 24.646 1.00 46.88 C ATOM 686 O LEU A 74 -6.141 -4.541 24.370 1.00 47.64 O ATOM 687 CB LEU A 74 -4.959 -7.695 24.993 1.00 40.86 C ATOM 688 CG LEU A 74 -4.270 -8.964 24.503 1.00 39.14 C ATOM 689 CD1 LEU A 74 -3.734 -9.741 25.688 1.00 38.72 C ATOM 690 CD2 LEU A 74 -5.226 -9.810 23.688 1.00 39.59 C ATOM 691 H LEU A 74 -3.880 -6.491 22.981 1.00 0.00 H ATOM 692 N ASP A 75 -7.354 -6.024 25.557 1.00 48.61 N ATOM 693 CA ASP A 75 -8.077 -4.990 26.271 1.00 51.53 C ATOM 694 C ASP A 75 -7.111 -4.162 27.118 1.00 49.54 C ATOM 695 O ASP A 75 -6.118 -4.684 27.635 1.00 46.73 O ATOM 696 CB ASP A 75 -9.155 -5.619 27.148 1.00 54.98 C ATOM 697 CG ASP A 75 -10.353 -4.712 27.338 1.00 61.83 C ATOM 698 OD1 ASP A 75 -11.187 -4.629 26.408 1.00 64.90 O ATOM 699 OD2 ASP A 75 -10.455 -4.073 28.411 1.00 65.00 O ATOM 700 H ASP A 75 -7.554 -7.024 25.760 1.00 0.00 H ATOM 701 N PRO A 76 -7.368 -2.860 27.264 1.00 51.46 N ATOM 702 CA PRO A 76 -6.464 -2.019 28.068 1.00 51.85 C ATOM 703 C PRO A 76 -6.407 -2.417 29.530 1.00 52.67 C ATOM 704 O PRO A 76 -5.420 -2.103 30.206 1.00 53.41 O ATOM 705 CB PRO A 76 -7.048 -0.608 27.899 1.00 55.46 C ATOM 706 CG PRO A 76 -7.902 -0.680 26.676 1.00 55.45 C ATOM 707 CD PRO A 76 -8.443 -2.072 26.637 1.00 54.02 C ATOM 708 N GLU A 77 -7.435 -3.094 30.043 1.00 52.93 N ATOM 709 CA GLU A 77 -7.440 -3.516 31.436 1.00 48.88 C ATOM 710 C GLU A 77 -6.493 -4.676 31.711 1.00 47.14 C ATOM 711 O GLU A 77 -6.213 -4.953 32.882 1.00 48.60 O ATOM 712 CB GLU A 77 -8.859 -3.903 31.857 1.00 51.78 C ATOM 713 H GLU A 77 -8.248 -3.325 29.437 1.00 0.00 H ATOM 714 N ILE A 78 -5.986 -5.348 30.681 1.00 42.06 N ATOM 715 CA ILE A 78 -5.278 -6.610 30.880 1.00 43.73 C ATOM 716 C ILE A 78 -3.850 -6.335 31.339 1.00 43.08 C ATOM 717 O ILE A 78 -3.110 -5.574 30.703 1.00 41.61 O ATOM 718 CB ILE A 78 -5.313 -7.471 29.603 1.00 40.85 C ATOM 719 CG1 ILE A 78 -6.530 -8.402 29.606 1.00 41.29 C ATOM 720 CG2 ILE A 78 -4.084 -8.348 29.512 1.00 38.54 C ATOM 721 CD1 ILE A 78 -7.869 -7.721 29.760 1.00 44.60 C ATOM 722 H ILE A 78 -6.095 -4.969 29.719 1.00 0.00 H ATOM 723 N ASN A 79 -3.470 -6.957 32.460 1.00 44.57 N ATOM 724 CA ASN A 79 -2.135 -6.789 33.029 1.00 44.78 C ATOM 725 C ASN A 79 -1.096 -7.369 32.078 1.00 41.49 C ATOM 726 O ASN A 79 -1.232 -8.521 31.651 1.00 38.34 O ATOM 727 CB ASN A 79 -2.052 -7.484 34.395 1.00 46.15 C ATOM 728 CG ASN A 79 -0.775 -7.145 35.165 1.00 47.31 C ATOM 729 OD1 ASN A 79 0.234 -7.838 35.049 1.00 46.77 O ATOM 730 ND2 ASN A 79 -0.828 -6.089 35.973 1.00 50.07 N ATOM 731 HD22 ASN A 79 -1.702 -5.530 36.041 1.00 0.00 H ATOM 732 HD21 ASN A 79 0.005 -5.823 36.536 1.00 0.00 H ATOM 733 H ASN A 79 -4.147 -7.581 32.943 1.00 0.00 H ATOM 734 N PRO A 80 -0.065 -6.607 31.707 1.00 42.69 N ATOM 735 CA PRO A 80 0.962 -7.168 30.812 1.00 41.19 C ATOM 736 C PRO A 80 1.757 -8.298 31.443 1.00 41.90 C ATOM 737 O PRO A 80 2.075 -9.284 30.764 1.00 40.48 O ATOM 738 CB PRO A 80 1.846 -5.951 30.491 1.00 42.07 C ATOM 739 CG PRO A 80 0.988 -4.768 30.777 1.00 43.23 C ATOM 740 CD PRO A 80 0.125 -5.166 31.932 1.00 44.43 C ATOM 741 N GLU A 81 2.093 -8.183 32.729 1.00 44.49 N ATOM 742 CA GLU A 81 2.850 -9.238 33.392 1.00 46.26 C ATOM 743 C GLU A 81 2.018 -10.506 33.558 1.00 43.84 C ATOM 744 O GLU A 81 2.566 -11.615 33.534 1.00 42.50 O ATOM 745 CB GLU A 81 3.366 -8.735 34.742 1.00 51.75 C ATOM 746 CG GLU A 81 4.146 -9.763 35.556 1.00 55.12 C ATOM 747 CD GLU A 81 5.344 -10.327 34.810 1.00 56.07 C ATOM 748 OE1 GLU A 81 5.906 -9.615 33.947 1.00 56.60 O ATOM 749 OE2 GLU A 81 5.722 -11.487 35.089 1.00 56.40 O ATOM 750 H GLU A 81 1.813 -7.335 33.262 1.00 0.00 H ATOM 751 N GLY A 82 0.699 -10.366 33.714 1.00 43.35 N ATOM 752 CA GLY A 82 -0.157 -11.540 33.758 1.00 41.89 C ATOM 753 C GLY A 82 -0.199 -12.275 32.432 1.00 39.59 C ATOM 754 O GLY A 82 -0.151 -13.507 32.393 1.00 39.12 O ATOM 755 H GLY A 82 0.284 -9.417 33.804 1.00 0.00 H ATOM 756 N PHE A 83 -0.286 -11.532 31.328 1.00 38.52 N ATOM 757 CA PHE A 83 -0.243 -12.169 30.019 1.00 37.25 C ATOM 758 C PHE A 83 1.114 -12.812 29.771 1.00 39.51 C ATOM 759 O PHE A 83 1.203 -13.870 29.140 1.00 39.74 O ATOM 760 CB PHE A 83 -0.557 -11.157 28.920 1.00 35.31 C ATOM 761 CG PHE A 83 -0.574 -11.755 27.545 1.00 33.28 C ATOM 762 CD1 PHE A 83 -1.697 -12.418 27.082 1.00 32.60 C ATOM 763 CD2 PHE A 83 0.536 -11.669 26.720 1.00 32.95 C ATOM 764 CE1 PHE A 83 -1.722 -12.980 25.818 1.00 32.02 C ATOM 765 CE2 PHE A 83 0.519 -12.228 25.455 1.00 32.67 C ATOM 766 CZ PHE A 83 -0.612 -12.885 25.003 1.00 32.10 C ATOM 767 H PHE A 83 -0.384 -10.499 31.402 1.00 0.00 H ATOM 768 N ASN A 84 2.185 -12.182 30.255 1.00 42.13 N ATOM 769 CA ASN A 84 3.513 -12.753 30.075 1.00 44.65 C ATOM 770 C ASN A 84 3.633 -14.091 30.788 1.00 46.74 C ATOM 771 O ASN A 84 4.249 -15.029 30.269 1.00 46.46 O ATOM 772 CB ASN A 84 4.572 -11.777 30.581 1.00 46.47 C ATOM 773 CG ASN A 84 5.976 -12.216 30.238 1.00 48.92 C ATOM 774 OD1 ASN A 84 6.210 -12.833 29.198 1.00 48.67 O ATOM 775 ND2 ASN A 84 6.921 -11.905 31.114 1.00 52.37 N ATOM 776 HD22 ASN A 84 6.676 -11.383 31.979 1.00 0.00 H ATOM 777 HD21 ASN A 84 7.907 -12.183 30.936 1.00 0.00 H ATOM 778 H ASN A 84 2.072 -11.281 30.762 1.00 0.00 H ATOM 779 N ILE A 85 3.044 -14.197 31.981 1.00 50.27 N ATOM 780 CA ILE A 85 3.054 -15.458 32.715 1.00 51.74 C ATOM 781 C ILE A 85 2.258 -16.517 31.965 1.00 48.96 C ATOM 782 O ILE A 85 2.702 -17.663 31.824 1.00 50.76 O ATOM 783 CB ILE A 85 2.512 -15.248 34.141 1.00 54.24 C ATOM 784 CG1 ILE A 85 3.470 -14.380 34.958 1.00 58.58 C ATOM 785 CG2 ILE A 85 2.273 -16.585 34.833 1.00 54.32 C ATOM 786 CD1 ILE A 85 4.839 -14.999 35.155 1.00 61.65 C ATOM 787 H ILE A 85 2.571 -13.368 32.394 1.00 0.00 H ATOM 788 N LEU A 86 1.075 -16.154 31.466 1.00 44.86 N ATOM 789 CA LEU A 86 0.240 -17.128 30.776 1.00 41.90 C ATOM 790 C LEU A 86 0.829 -17.524 29.430 1.00 41.95 C ATOM 791 O LEU A 86 0.701 -18.683 29.017 1.00 41.84 O ATOM 792 CB LEU A 86 -1.171 -16.575 30.606 1.00 39.39 C ATOM 793 CG LEU A 86 -1.894 -16.360 31.934 1.00 40.34 C ATOM 794 CD1 LEU A 86 -3.266 -15.780 31.696 1.00 40.75 C ATOM 795 CD2 LEU A 86 -1.985 -17.664 32.710 1.00 41.14 C ATOM 796 H LEU A 86 0.748 -15.172 31.570 1.00 0.00 H ATOM 797 N LEU A 87 1.474 -16.585 28.737 1.00 42.47 N ATOM 798 CA LEU A 87 2.101 -16.910 27.463 1.00 42.49 C ATOM 799 C LEU A 87 3.247 -17.895 27.651 1.00 43.59 C ATOM 800 O LEU A 87 3.375 -18.862 26.892 1.00 43.07 O ATOM 801 CB LEU A 87 2.590 -15.634 26.781 1.00 42.14 C ATOM 802 CG LEU A 87 3.428 -15.821 25.515 1.00 42.35 C ATOM 803 CD1 LEU A 87 2.639 -16.570 24.447 1.00 41.08 C ATOM 804 CD2 LEU A 87 3.912 -14.474 24.992 1.00 42.63 C ATOM 805 H LEU A 87 1.530 -15.615 29.108 1.00 0.00 H ATOM 806 N ASP A 88 4.085 -17.672 28.663 1.00 45.94 N ATOM 807 CA ASP A 88 5.162 -18.613 28.933 1.00 49.14 C ATOM 808 C ASP A 88 4.624 -19.963 29.385 1.00 47.87 C ATOM 809 O ASP A 88 5.256 -20.995 29.134 1.00 50.12 O ATOM 810 CB ASP A 88 6.116 -18.029 29.970 1.00 53.56 C ATOM 811 CG ASP A 88 6.974 -16.925 29.397 1.00 58.05 C ATOM 812 OD1 ASP A 88 6.437 -16.095 28.632 1.00 57.31 O ATOM 813 OD2 ASP A 88 8.183 -16.889 29.705 1.00 62.42 O ATOM 814 H ASP A 88 3.970 -16.827 29.259 1.00 0.00 H ATOM 815 N PHE A 89 3.460 -19.980 30.038 1.00 43.61 N ATOM 816 CA PHE A 89 2.836 -21.254 30.373 1.00 41.42 C ATOM 817 C PHE A 89 2.446 -22.017 29.115 1.00 40.18 C ATOM 818 O PHE A 89 2.604 -23.242 29.051 1.00 41.59 O ATOM 819 CB PHE A 89 1.610 -21.037 31.260 1.00 39.01 C ATOM 820 CG PHE A 89 0.654 -22.193 31.247 1.00 38.37 C ATOM 821 CD1 PHE A 89 0.947 -23.357 31.939 1.00 40.16 C ATOM 822 CD2 PHE A 89 -0.526 -22.125 30.525 1.00 36.87 C ATOM 823 CE1 PHE A 89 0.075 -24.429 31.917 1.00 40.12 C ATOM 824 CE2 PHE A 89 -1.398 -23.193 30.496 1.00 37.26 C ATOM 825 CZ PHE A 89 -1.101 -24.345 31.194 1.00 38.82 C ATOM 826 H PHE A 89 3.000 -19.087 30.307 1.00 0.00 H ATOM 827 N MET A 90 1.932 -21.308 28.106 1.00 37.99 N ATOM 828 CA MET A 90 1.523 -21.963 26.868 1.00 37.65 C ATOM 829 C MET A 90 2.669 -22.752 26.254 1.00 39.10 C ATOM 830 O MET A 90 2.461 -23.840 25.705 1.00 39.81 O ATOM 831 CB MET A 90 1.008 -20.929 25.869 1.00 36.59 C ATOM 832 CG MET A 90 -0.193 -20.136 26.334 1.00 34.80 C ATOM 833 SD MET A 90 -0.769 -19.085 24.996 1.00 34.46 S ATOM 834 CE MET A 90 -2.115 -18.195 25.770 1.00 32.97 C ATOM 835 H MET A 90 1.822 -20.278 28.204 1.00 0.00 H ATOM 836 N TYR A 91 3.888 -22.228 26.360 1.00 36.57 N ATOM 837 CA TYR A 91 5.064 -22.796 25.719 1.00 37.56 C ATOM 838 C TYR A 91 5.861 -23.731 26.618 1.00 39.12 C ATOM 839 O TYR A 91 6.865 -24.285 26.160 1.00 41.11 O ATOM 840 CB TYR A 91 5.980 -21.670 25.229 1.00 38.46 C ATOM 841 CG TYR A 91 5.578 -21.083 23.894 1.00 38.96 C ATOM 842 CD1 TYR A 91 4.654 -20.048 23.816 1.00 38.29 C ATOM 843 CD2 TYR A 91 6.121 -21.567 22.712 1.00 38.56 C ATOM 844 CE1 TYR A 91 4.288 -19.510 22.597 1.00 39.32 C ATOM 845 CE2 TYR A 91 5.763 -21.036 21.495 1.00 39.62 C ATOM 846 CZ TYR A 91 4.847 -20.010 21.440 1.00 39.23 C ATOM 847 OH TYR A 91 4.495 -19.483 20.223 1.00 41.90 O ATOM 848 HH TYR A 91 5.300 -19.116 19.778 1.00 0.00 H ATOM 849 H TYR A 91 4.006 -21.367 26.931 1.00 0.00 H ATOM 850 N THR A 92 5.459 -23.917 27.879 1.00 38.97 N ATOM 851 CA THR A 92 6.274 -24.688 28.820 1.00 41.96 C ATOM 852 C THR A 92 5.497 -25.640 29.721 1.00 43.12 C ATOM 853 O THR A 92 6.133 -26.459 30.390 1.00 37.94 O ATOM 854 CB THR A 92 7.092 -23.756 29.732 1.00 37.82 C ATOM 855 OG1 THR A 92 6.203 -23.007 30.570 1.00 45.57 O ATOM 856 CG2 THR A 92 7.967 -22.805 28.929 1.00 39.04 C ATOM 857 HG1 THR A 92 5.595 -22.467 30.005 1.00 0.00 H ATOM 858 H THR A 92 4.556 -23.509 28.196 1.00 0.00 H ATOM 859 N SER A 93 4.168 -25.559 29.781 1.00 42.64 N ATOM 860 CA SER A 93 3.317 -26.323 30.690 1.00 44.13 C ATOM 861 C SER A 93 3.562 -25.984 32.158 1.00 47.39 C ATOM 862 O SER A 93 3.058 -26.695 33.040 1.00 48.00 O ATOM 863 CB SER A 93 3.472 -27.839 30.487 1.00 44.79 C ATOM 864 OG SER A 93 3.335 -28.217 29.122 1.00 43.79 O ATOM 865 HG SER A 93 3.442 -29.198 29.040 1.00 0.00 H ATOM 866 H SER A 93 3.699 -24.899 29.128 1.00 0.00 H ATOM 867 N ARG A 94 4.307 -24.917 32.455 1.00 49.96 N ATOM 868 CA ARG A 94 4.660 -24.556 33.825 1.00 52.66 C ATOM 869 C ARG A 94 4.083 -23.180 34.140 1.00 50.03 C ATOM 870 O ARG A 94 4.459 -22.185 33.511 1.00 49.65 O ATOM 871 CB ARG A 94 6.182 -24.580 34.029 1.00 57.31 C ATOM 872 CG ARG A 94 6.804 -25.981 33.924 1.00 62.00 C ATOM 873 CD ARG A 94 8.345 -25.992 34.031 1.00 67.76 C ATOM 874 NE ARG A 94 9.024 -25.190 33.003 1.00 69.92 N ATOM 875 CZ ARG A 94 9.383 -25.632 31.794 1.00 69.94 C ATOM 876 NH1 ARG A 94 9.128 -26.881 31.420 1.00 70.35 N ATOM 877 NH2 ARG A 94 10.002 -24.820 30.944 1.00 70.55 N ATOM 878 HE ARG A 94 9.242 -24.200 33.235 1.00 0.00 H ATOM 879 HH12 ARG A 94 9.414 -27.210 30.476 1.00 0.00 H ATOM 880 HH11 ARG A 94 8.642 -27.530 32.072 1.00 0.00 H ATOM 881 HH22 ARG A 94 10.281 -25.166 30.004 1.00 0.00 H ATOM 882 HH21 ARG A 94 10.208 -23.838 31.219 1.00 0.00 H ATOM 883 H ARG A 94 4.651 -24.317 31.678 1.00 0.00 H ATOM 884 N LEU A 95 3.166 -23.131 35.108 1.00 48.46 N ATOM 885 CA LEU A 95 2.472 -21.910 35.504 1.00 47.28 C ATOM 886 C LEU A 95 3.039 -21.402 36.826 1.00 49.90 C ATOM 887 O LEU A 95 3.147 -22.162 37.795 1.00 52.46 O ATOM 888 CB LEU A 95 0.964 -22.153 35.627 1.00 45.50 C ATOM 889 CG LEU A 95 0.061 -20.983 36.030 1.00 44.78 C ATOM 890 CD1 LEU A 95 0.063 -19.894 34.970 1.00 43.63 C ATOM 891 CD2 LEU A 95 -1.359 -21.469 36.314 1.00 44.26 C ATOM 892 H LEU A 95 2.933 -24.012 35.608 1.00 0.00 H ATOM 893 N ASN A 96 3.382 -20.118 36.866 1.00 49.82 N ATOM 894 CA ASN A 96 4.077 -19.507 37.999 1.00 52.57 C ATOM 895 C ASN A 96 3.089 -18.651 38.791 1.00 51.57 C ATOM 896 O ASN A 96 2.975 -17.444 38.571 1.00 51.62 O ATOM 897 CB ASN A 96 5.261 -18.680 37.509 1.00 54.73 C ATOM 898 CG ASN A 96 5.944 -17.921 38.624 1.00 58.30 C ATOM 899 OD1 ASN A 96 6.111 -18.432 39.734 1.00 60.48 O ATOM 900 ND2 ASN A 96 6.337 -16.685 38.335 1.00 59.50 N ATOM 901 HD22 ASN A 96 6.174 -16.297 37.384 1.00 0.00 H ATOM 902 HD21 ASN A 96 6.807 -16.106 39.060 1.00 0.00 H ATOM 903 H ASN A 96 3.144 -19.518 36.051 1.00 0.00 H ATOM 904 N LEU A 97 2.385 -19.279 39.729 1.00 51.15 N ATOM 905 CA LEU A 97 1.436 -18.574 40.581 1.00 50.60 C ATOM 906 C LEU A 97 2.142 -18.118 41.853 1.00 54.47 C ATOM 907 O LEU A 97 2.720 -18.938 42.577 1.00 56.24 O ATOM 908 CB LEU A 97 0.243 -19.467 40.919 1.00 49.20 C ATOM 909 CG LEU A 97 -0.671 -19.876 39.762 1.00 45.58 C ATOM 910 CD1 LEU A 97 -1.871 -20.653 40.284 1.00 44.46 C ATOM 911 CD2 LEU A 97 -1.113 -18.648 38.965 1.00 43.74 C ATOM 912 H LEU A 97 2.516 -20.303 39.858 1.00 0.00 H ATOM 913 N ARG A 98 2.098 -16.816 42.120 1.00 56.11 N ATOM 914 CA ARG A 98 2.634 -16.246 43.345 1.00 59.65 C ATOM 915 C ARG A 98 1.530 -15.520 44.100 1.00 59.04 C ATOM 916 O ARG A 98 0.476 -15.196 43.546 1.00 54.42 O ATOM 917 CB ARG A 98 3.789 -15.279 43.064 1.00 62.91 C ATOM 918 CG ARG A 98 4.965 -15.919 42.368 1.00 64.41 C ATOM 919 CD ARG A 98 6.260 -15.191 42.681 1.00 70.17 C ATOM 920 NE ARG A 98 7.400 -15.838 42.035 1.00 72.99 N ATOM 921 CZ ARG A 98 8.121 -16.811 42.586 1.00 76.89 C ATOM 922 NH1 ARG A 98 7.828 -17.254 43.803 1.00 79.12 N ATOM 923 NH2 ARG A 98 9.139 -17.341 41.921 1.00 78.25 N ATOM 924 HE ARG A 98 7.665 -15.517 41.082 1.00 0.00 H ATOM 925 HH12 ARG A 98 8.394 -18.015 44.230 1.00 0.00 H ATOM 926 HH11 ARG A 98 7.032 -16.840 44.329 1.00 0.00 H ATOM 927 HH22 ARG A 98 9.702 -18.102 42.352 1.00 0.00 H ATOM 928 HH21 ARG A 98 9.374 -16.996 40.968 1.00 0.00 H ATOM 929 H ARG A 98 1.662 -16.179 41.423 1.00 0.00 H ATOM 930 N VAL A 99 1.788 -15.267 45.384 1.00 63.11 N ATOM 931 CA VAL A 99 0.826 -14.529 46.194 1.00 63.68 C ATOM 932 C VAL A 99 0.655 -13.110 45.662 1.00 50.75 C ATOM 933 O VAL A 99 -0.413 -12.503 45.814 1.00 49.54 O ATOM 934 CB VAL A 99 1.262 -14.551 47.675 1.00 56.05 C ATOM 935 CG1 VAL A 99 2.654 -13.964 47.831 1.00 59.88 C ATOM 936 CG2 VAL A 99 0.257 -13.818 48.551 1.00 56.77 C ATOM 937 H VAL A 99 2.678 -15.597 45.809 1.00 0.00 H ATOM 938 N GLY A 100 1.682 -12.572 45.004 1.00 51.93 N ATOM 939 CA GLY A 100 1.621 -11.250 44.416 1.00 52.41 C ATOM 940 C GLY A 100 1.135 -11.162 42.981 1.00 49.30 C ATOM 941 O GLY A 100 0.909 -10.053 42.491 1.00 49.61 O ATOM 942 H GLY A 100 2.560 -13.122 44.909 1.00 0.00 H ATOM 943 N ASN A 101 0.972 -12.282 42.273 1.00 46.62 N ATOM 944 CA ASN A 101 0.483 -12.221 40.902 1.00 44.56 C ATOM 945 C ASN A 101 -0.788 -13.024 40.668 1.00 41.25 C ATOM 946 O ASN A 101 -1.336 -12.970 39.561 1.00 39.17 O ATOM 947 CB ASN A 101 1.577 -12.665 39.908 1.00 44.95 C ATOM 948 CG ASN A 101 1.887 -14.169 39.962 1.00 44.21 C ATOM 949 OD1 ASN A 101 1.004 -15.007 40.136 1.00 42.34 O ATOM 950 ND2 ASN A 101 3.159 -14.506 39.784 1.00 45.94 N ATOM 951 HD22 ASN A 101 3.877 -13.768 39.640 1.00 0.00 H ATOM 952 HD21 ASN A 101 3.437 -15.508 39.789 1.00 0.00 H ATOM 953 H ASN A 101 1.195 -13.203 42.702 1.00 0.00 H ATOM 954 N ILE A 102 -1.278 -13.751 41.676 1.00 44.96 N ATOM 955 CA ILE A 102 -2.419 -14.641 41.475 1.00 45.85 C ATOM 956 C ILE A 102 -3.633 -13.868 40.972 1.00 43.94 C ATOM 957 O ILE A 102 -4.399 -14.364 40.137 1.00 42.69 O ATOM 958 CB ILE A 102 -2.727 -15.409 42.775 1.00 51.84 C ATOM 959 CG1 ILE A 102 -3.944 -16.320 42.592 1.00 53.25 C ATOM 960 CG2 ILE A 102 -2.926 -14.450 43.944 1.00 54.18 C ATOM 961 CD1 ILE A 102 -3.792 -17.316 41.466 1.00 51.85 C ATOM 962 H ILE A 102 -0.841 -13.682 42.617 1.00 0.00 H ATOM 963 N MET A 103 -3.823 -12.639 41.457 1.00 44.47 N ATOM 964 CA MET A 103 -4.991 -11.859 41.062 1.00 43.29 C ATOM 965 C MET A 103 -4.902 -11.436 39.599 1.00 38.74 C ATOM 966 O MET A 103 -5.878 -11.551 38.848 1.00 36.96 O ATOM 967 CB MET A 103 -5.138 -10.641 41.973 1.00 45.54 C ATOM 968 CG MET A 103 -5.428 -10.985 43.423 1.00 50.69 C ATOM 969 SD MET A 103 -7.011 -11.823 43.640 1.00 54.07 S ATOM 970 CE MET A 103 -7.192 -11.750 45.418 1.00 59.62 C ATOM 971 H MET A 103 -3.133 -12.234 42.122 1.00 0.00 H ATOM 972 N ALA A 104 -3.738 -10.940 39.177 1.00 36.93 N ATOM 973 CA ALA A 104 -3.579 -10.522 37.787 1.00 33.50 C ATOM 974 C ALA A 104 -3.605 -11.717 36.843 1.00 33.15 C ATOM 975 O ALA A 104 -4.211 -11.653 35.765 1.00 31.65 O ATOM 976 CB ALA A 104 -2.279 -9.738 37.617 1.00 31.90 C ATOM 977 H ALA A 104 -2.942 -10.851 39.840 1.00 0.00 H ATOM 978 N VAL A 105 -2.954 -12.817 37.231 1.00 34.30 N ATOM 979 CA VAL A 105 -2.908 -13.996 36.374 1.00 33.32 C ATOM 980 C VAL A 105 -4.305 -14.569 36.172 1.00 34.47 C ATOM 981 O VAL A 105 -4.689 -14.913 35.048 1.00 33.83 O ATOM 982 CB VAL A 105 -1.936 -15.041 36.954 1.00 34.88 C ATOM 983 CG1 VAL A 105 -2.066 -16.361 36.211 1.00 35.01 C ATOM 984 CG2 VAL A 105 -0.504 -14.535 36.875 1.00 34.81 C ATOM 985 H VAL A 105 -2.475 -12.833 38.154 1.00 0.00 H ATOM 986 N MET A 106 -5.097 -14.663 37.242 1.00 37.10 N ATOM 987 CA MET A 106 -6.430 -15.241 37.109 1.00 38.62 C ATOM 988 C MET A 106 -7.311 -14.386 36.214 1.00 36.66 C ATOM 989 O MET A 106 -7.994 -14.901 35.321 1.00 35.99 O ATOM 990 CB MET A 106 -7.083 -15.416 38.476 1.00 42.92 C ATOM 991 CG MET A 106 -8.473 -16.021 38.365 1.00 46.26 C ATOM 992 SD MET A 106 -9.136 -16.627 39.922 1.00 53.88 S ATOM 993 CE MET A 106 -10.653 -17.406 39.370 1.00 56.00 C ATOM 994 H MET A 106 -4.765 -14.325 38.168 1.00 0.00 H ATOM 995 N ALA A 107 -7.319 -13.074 36.449 1.00 36.59 N ATOM 996 CA ALA A 107 -8.089 -12.183 35.590 1.00 35.74 C ATOM 997 C ALA A 107 -7.686 -12.345 34.130 1.00 33.91 C ATOM 998 O ALA A 107 -8.546 -12.443 33.248 1.00 33.93 O ATOM 999 CB ALA A 107 -7.913 -10.734 36.043 1.00 35.60 C ATOM 1000 H ALA A 107 -6.775 -12.686 37.246 1.00 0.00 H ATOM 1001 N THR A 108 -6.380 -12.391 33.859 1.00 32.41 N ATOM 1002 CA THR A 108 -5.922 -12.566 32.488 1.00 31.83 C ATOM 1003 C THR A 108 -6.372 -13.910 31.930 1.00 32.67 C ATOM 1004 O THR A 108 -6.756 -14.005 30.758 1.00 32.51 O ATOM 1005 CB THR A 108 -4.401 -12.436 32.425 1.00 31.16 C ATOM 1006 OG1 THR A 108 -3.991 -11.295 33.186 1.00 32.75 O ATOM 1007 CG2 THR A 108 -3.938 -12.263 30.990 1.00 29.63 C ATOM 1008 HG1 THR A 108 -4.276 -11.408 34.127 1.00 0.00 H ATOM 1009 H THR A 108 -5.687 -12.302 34.630 1.00 0.00 H ATOM 1010 N ALA A 109 -6.350 -14.956 32.762 1.00 33.31 N ATOM 1011 CA ALA A 109 -6.739 -16.285 32.296 1.00 32.98 C ATOM 1012 C ALA A 109 -8.204 -16.325 31.876 1.00 33.72 C ATOM 1013 O ALA A 109 -8.539 -16.890 30.827 1.00 33.27 O ATOM 1014 CB ALA A 109 -6.463 -17.324 33.382 1.00 33.78 C ATOM 1015 H ALA A 109 -6.053 -14.823 33.750 1.00 0.00 H ATOM 1016 N MET A 110 -9.090 -15.730 32.681 1.00 35.05 N ATOM 1017 CA MET A 110 -10.504 -15.684 32.324 1.00 36.73 C ATOM 1018 C MET A 110 -10.716 -14.922 31.022 1.00 36.98 C ATOM 1019 O MET A 110 -11.526 -15.331 30.182 1.00 38.57 O ATOM 1020 CB MET A 110 -11.310 -15.049 33.458 1.00 38.19 C ATOM 1021 CG MET A 110 -11.299 -15.850 34.751 1.00 40.18 C ATOM 1022 SD MET A 110 -11.771 -14.884 36.210 1.00 42.92 S ATOM 1023 CE MET A 110 -13.487 -14.514 35.855 1.00 45.25 C ATOM 1024 H MET A 110 -8.769 -15.296 33.570 1.00 0.00 H ATOM 1025 N TYR A 111 -10.000 -13.806 30.842 1.00 35.60 N ATOM 1026 CA TYR A 111 -10.093 -13.044 29.600 1.00 35.46 C ATOM 1027 C TYR A 111 -9.638 -13.883 28.409 1.00 34.29 C ATOM 1028 O TYR A 111 -10.308 -13.926 27.370 1.00 35.18 O ATOM 1029 CB TYR A 111 -9.262 -11.761 29.720 1.00 35.10 C ATOM 1030 CG TYR A 111 -9.130 -10.940 28.447 1.00 36.35 C ATOM 1031 CD1 TYR A 111 -10.146 -10.084 28.033 1.00 38.94 C ATOM 1032 CD2 TYR A 111 -7.975 -10.999 27.673 1.00 35.53 C ATOM 1033 CE1 TYR A 111 -10.020 -9.324 26.876 1.00 40.30 C ATOM 1034 CE2 TYR A 111 -7.841 -10.240 26.518 1.00 36.92 C ATOM 1035 CZ TYR A 111 -8.865 -9.406 26.124 1.00 39.37 C ATOM 1036 OH TYR A 111 -8.734 -8.651 24.975 1.00 41.73 O ATOM 1037 HH TYR A 111 -9.554 -8.113 24.840 1.00 0.00 H ATOM 1038 H TYR A 111 -9.367 -13.476 31.599 1.00 0.00 H ATOM 1039 N LEU A 112 -8.500 -14.568 28.549 1.00 32.67 N ATOM 1040 CA LEU A 112 -7.989 -15.434 27.494 1.00 31.41 C ATOM 1041 C LEU A 112 -8.748 -16.749 27.393 1.00 31.94 C ATOM 1042 O LEU A 112 -8.452 -17.541 26.491 1.00 31.57 O ATOM 1043 CB LEU A 112 -6.504 -15.726 27.717 1.00 30.05 C ATOM 1044 CG LEU A 112 -5.556 -14.529 27.734 1.00 29.34 C ATOM 1045 CD1 LEU A 112 -4.133 -14.992 27.993 1.00 29.19 C ATOM 1046 CD2 LEU A 112 -5.640 -13.758 26.432 1.00 29.72 C ATOM 1047 H LEU A 112 -7.963 -14.481 29.436 1.00 0.00 H ATOM 1048 N GLN A 113 -9.701 -17.000 28.293 1.00 32.99 N ATOM 1049 CA GLN A 113 -10.521 -18.211 28.275 1.00 34.58 C ATOM 1050 C GLN A 113 -9.648 -19.467 28.322 1.00 34.10 C ATOM 1051 O GLN A 113 -9.603 -20.271 27.387 1.00 33.66 O ATOM 1052 CB GLN A 113 -11.442 -18.226 27.052 1.00 36.08 C ATOM 1053 CG GLN A 113 -12.340 -17.021 26.931 1.00 37.82 C ATOM 1054 CD GLN A 113 -13.004 -16.947 25.574 1.00 40.27 C ATOM 1055 OE1 GLN A 113 -13.453 -17.958 25.035 1.00 41.48 O ATOM 1056 NE2 GLN A 113 -13.067 -15.748 25.011 1.00 41.42 N ATOM 1057 HE22 GLN A 113 -12.674 -14.921 25.504 1.00 0.00 H ATOM 1058 HE21 GLN A 113 -13.509 -15.635 24.077 1.00 0.00 H ATOM 1059 H GLN A 113 -9.869 -16.300 29.044 1.00 0.00 H ATOM 1060 N MET A 114 -8.941 -19.616 29.439 1.00 34.32 N ATOM 1061 CA MET A 114 -8.119 -20.792 29.719 1.00 34.52 C ATOM 1062 C MET A 114 -8.707 -21.453 30.962 1.00 37.02 C ATOM 1063 O MET A 114 -8.201 -21.280 32.071 1.00 39.32 O ATOM 1064 CB MET A 114 -6.641 -20.385 29.890 1.00 32.44 C ATOM 1065 CG MET A 114 -6.075 -19.723 28.636 1.00 29.80 C ATOM 1066 SD MET A 114 -4.481 -18.897 28.810 1.00 29.51 S ATOM 1067 CE MET A 114 -3.352 -20.287 28.826 1.00 30.30 C ATOM 1068 H MET A 114 -8.975 -18.857 30.149 1.00 0.00 H ATOM 1069 N GLU A 115 -9.790 -22.214 30.760 1.00 51.79 N ATOM 1070 CA GLU A 115 -10.624 -22.664 31.872 1.00 53.11 C ATOM 1071 C GLU A 115 -9.861 -23.546 32.853 1.00 54.83 C ATOM 1072 O GLU A 115 -10.149 -23.523 34.056 1.00 51.71 O ATOM 1073 CB GLU A 115 -11.849 -23.408 31.342 1.00 58.61 C ATOM 1074 H GLU A 115 -10.043 -22.491 29.790 1.00 0.00 H ATOM 1075 N HIS A 116 -8.897 -24.331 32.372 1.00 53.36 N ATOM 1076 CA HIS A 116 -8.121 -25.154 33.294 1.00 52.61 C ATOM 1077 C HIS A 116 -7.213 -24.294 34.165 1.00 47.76 C ATOM 1078 O HIS A 116 -7.113 -24.513 35.377 1.00 46.98 O ATOM 1079 CB HIS A 116 -7.318 -26.200 32.521 1.00 53.22 C ATOM 1080 CG HIS A 116 -8.169 -27.239 31.861 1.00 58.74 C ATOM 1081 ND1 HIS A 116 -7.654 -28.211 31.031 1.00 59.64 N ATOM 1082 CD2 HIS A 116 -9.505 -27.459 31.911 1.00 62.72 C ATOM 1083 CE1 HIS A 116 -8.634 -28.983 30.596 1.00 64.50 C ATOM 1084 NE2 HIS A 116 -9.768 -28.549 31.116 1.00 66.26 N ATOM 1085 H HIS A 116 -8.700 -24.357 31.351 1.00 0.00 H ATOM 1086 N VAL A 117 -6.550 -23.302 33.570 1.00 45.06 N ATOM 1087 CA VAL A 117 -5.726 -22.387 34.352 1.00 42.19 C ATOM 1088 C VAL A 117 -6.575 -21.608 35.350 1.00 43.17 C ATOM 1089 O VAL A 117 -6.126 -21.316 36.465 1.00 41.78 O ATOM 1090 CB VAL A 117 -4.947 -21.448 33.411 1.00 39.30 C ATOM 1091 CG1 VAL A 117 -4.197 -20.388 34.203 1.00 37.14 C ATOM 1092 CG2 VAL A 117 -3.985 -22.244 32.559 1.00 38.43 C ATOM 1093 H VAL A 117 -6.621 -23.180 32.540 1.00 0.00 H ATOM 1094 N VAL A 118 -7.811 -21.265 34.977 1.00 45.50 N ATOM 1095 CA VAL A 118 -8.698 -20.576 35.910 1.00 46.16 C ATOM 1096 C VAL A 118 -8.996 -21.467 37.109 1.00 48.25 C ATOM 1097 O VAL A 118 -8.935 -21.021 38.262 1.00 48.30 O ATOM 1098 CB VAL A 118 -9.989 -20.129 35.198 1.00 47.54 C ATOM 1099 CG1 VAL A 118 -10.930 -19.456 36.182 1.00 48.01 C ATOM 1100 CG2 VAL A 118 -9.668 -19.187 34.053 1.00 45.68 C ATOM 1101 H VAL A 118 -8.143 -21.490 34.017 1.00 0.00 H ATOM 1102 N ASP A 119 -9.304 -22.745 36.857 1.00 50.37 N ATOM 1103 CA ASP A 119 -9.579 -23.679 37.947 1.00 52.56 C ATOM 1104 C ASP A 119 -8.381 -23.821 38.875 1.00 50.10 C ATOM 1105 O ASP A 119 -8.539 -23.877 40.100 1.00 51.49 O ATOM 1106 CB ASP A 119 -9.971 -25.045 37.385 1.00 56.85 C ATOM 1107 CG ASP A 119 -11.328 -25.035 36.716 1.00 62.14 C ATOM 1108 OD1 ASP A 119 -11.983 -23.972 36.713 1.00 62.81 O ATOM 1109 OD2 ASP A 119 -11.739 -26.094 36.193 1.00 66.40 O ATOM 1110 H ASP A 119 -9.348 -23.078 35.873 1.00 0.00 H ATOM 1111 N THR A 120 -7.174 -23.891 38.309 1.00 47.33 N ATOM 1112 CA THR A 120 -5.972 -23.986 39.132 1.00 45.81 C ATOM 1113 C THR A 120 -5.775 -22.724 39.962 1.00 44.11 C ATOM 1114 O THR A 120 -5.371 -22.796 41.129 1.00 46.17 O ATOM 1115 CB THR A 120 -4.750 -24.255 38.248 1.00 43.70 C ATOM 1116 OG1 THR A 120 -4.832 -25.579 37.699 1.00 45.76 O ATOM 1117 CG2 THR A 120 -3.456 -24.118 39.043 1.00 42.25 C ATOM 1118 HG1 THR A 120 -5.655 -25.659 37.155 1.00 0.00 H ATOM 1119 H THR A 120 -7.089 -23.878 37.273 1.00 0.00 H ATOM 1120 N CYS A 121 -6.072 -21.558 39.384 1.00 41.06 N ATOM 1121 CA CYS A 121 -5.958 -20.315 40.138 1.00 39.84 C ATOM 1122 C CYS A 121 -6.888 -20.312 41.345 1.00 44.73 C ATOM 1123 O CYS A 121 -6.528 -19.798 42.409 1.00 42.22 O ATOM 1124 CB CYS A 121 -6.246 -19.118 39.230 1.00 40.33 C ATOM 1125 SG CYS A 121 -4.939 -18.736 38.017 1.00 35.52 S ATOM 1126 H CYS A 121 -6.386 -21.536 38.393 1.00 0.00 H ATOM 1127 N ARG A 122 -8.082 -20.894 41.208 1.00 47.48 N ATOM 1128 CA ARG A 122 -8.987 -20.988 42.350 1.00 50.90 C ATOM 1129 C ARG A 122 -8.408 -21.876 43.444 1.00 53.07 C ATOM 1130 O ARG A 122 -8.426 -21.509 44.624 1.00 55.26 O ATOM 1131 CB ARG A 122 -10.350 -21.512 41.909 1.00 54.81 C ATOM 1132 CG ARG A 122 -11.095 -20.567 41.008 1.00 54.90 C ATOM 1133 CD ARG A 122 -12.584 -20.843 41.022 1.00 59.99 C ATOM 1134 NE ARG A 122 -13.268 -20.059 40.000 1.00 61.47 N ATOM 1135 CZ ARG A 122 -13.442 -20.462 38.744 1.00 63.32 C ATOM 1136 NH1 ARG A 122 -12.985 -21.648 38.360 1.00 63.97 N ATOM 1137 NH2 ARG A 122 -14.073 -19.683 37.872 1.00 64.66 N ATOM 1138 HE ARG A 122 -13.643 -19.127 40.270 1.00 0.00 H ATOM 1139 HH12 ARG A 122 -13.120 -21.964 37.379 1.00 0.00 H ATOM 1140 HH11 ARG A 122 -12.492 -22.260 39.041 1.00 0.00 H ATOM 1141 HH22 ARG A 122 -14.207 -20.002 36.891 1.00 0.00 H ATOM 1142 HH21 ARG A 122 -14.433 -18.754 38.170 1.00 0.00 H ATOM 1143 H ARG A 122 -8.368 -21.281 40.286 1.00 0.00 H ATOM 1144 N LYS A 123 -7.916 -23.064 43.073 1.00 53.11 N ATOM 1145 CA LYS A 123 -7.276 -23.950 44.042 1.00 52.39 C ATOM 1146 C LYS A 123 -6.180 -23.217 44.805 1.00 50.79 C ATOM 1147 O LYS A 123 -6.092 -23.307 46.034 1.00 53.20 O ATOM 1148 CB LYS A 123 -6.703 -25.184 43.335 1.00 53.00 C ATOM 1149 CG LYS A 123 -7.737 -26.223 42.910 1.00 56.35 C ATOM 1150 H LYS A 123 -7.991 -23.361 42.079 1.00 0.00 H ATOM 1151 N PHE A 124 -5.341 -22.473 44.079 1.00 47.29 N ATOM 1152 CA PHE A 124 -4.296 -21.679 44.715 1.00 46.21 C ATOM 1153 C PHE A 124 -4.893 -20.675 45.696 1.00 47.64 C ATOM 1154 O PHE A 124 -4.391 -20.518 46.816 1.00 49.32 O ATOM 1155 CB PHE A 124 -3.465 -20.974 43.636 1.00 42.76 C ATOM 1156 CG PHE A 124 -2.208 -20.311 44.150 1.00 48.34 C ATOM 1157 CD1 PHE A 124 -2.201 -18.962 44.485 1.00 41.32 C ATOM 1158 CD2 PHE A 124 -1.028 -21.030 44.278 1.00 43.33 C ATOM 1159 CE1 PHE A 124 -1.048 -18.351 44.948 1.00 41.60 C ATOM 1160 CE2 PHE A 124 0.128 -20.420 44.742 1.00 43.70 C ATOM 1161 CZ PHE A 124 0.117 -19.079 45.076 1.00 42.91 C ATOM 1162 H PHE A 124 -5.435 -22.460 43.043 1.00 0.00 H ATOM 1163 N ILE A 125 -5.981 -20.006 45.299 1.00 46.12 N ATOM 1164 CA ILE A 125 -6.647 -19.047 46.178 1.00 47.00 C ATOM 1165 C ILE A 125 -7.213 -19.753 47.404 1.00 56.91 C ATOM 1166 O ILE A 125 -7.022 -19.309 48.544 1.00 58.30 O ATOM 1167 CB ILE A 125 -7.744 -18.290 45.407 1.00 45.94 C ATOM 1168 CG1 ILE A 125 -7.117 -17.315 44.407 1.00 42.60 C ATOM 1169 CG2 ILE A 125 -8.679 -17.564 46.366 1.00 47.80 C ATOM 1170 CD1 ILE A 125 -8.126 -16.510 43.622 1.00 42.09 C ATOM 1171 H ILE A 125 -6.361 -20.172 44.345 1.00 0.00 H ATOM 1172 N LYS A 126 -7.926 -20.862 47.188 1.00 53.15 N ATOM 1173 CA LYS A 126 -8.509 -21.591 48.306 1.00 67.23 C ATOM 1174 C LYS A 126 -7.431 -22.078 49.266 1.00 69.72 C ATOM 1175 O LYS A 126 -7.623 -22.063 50.487 1.00 73.52 O ATOM 1176 CB LYS A 126 -9.344 -22.763 47.788 1.00 60.06 C ATOM 1177 H LYS A 126 -8.065 -21.206 46.217 1.00 0.00 H ATOM 1178 N ALA A 127 -6.281 -22.489 48.733 1.00 68.57 N ATOM 1179 CA ALA A 127 -5.189 -23.010 49.545 1.00 71.17 C ATOM 1180 C ALA A 127 -4.370 -21.918 50.219 1.00 70.76 C ATOM 1181 O ALA A 127 -3.378 -22.233 50.883 1.00 72.20 O ATOM 1182 CB ALA A 127 -4.266 -23.883 48.690 1.00 70.09 C ATOM 1183 H ALA A 127 -6.159 -22.436 47.702 1.00 0.00 H ATOM 1184 N SER A 128 -4.748 -20.653 50.065 1.00 69.60 N ATOM 1185 CA SER A 128 -4.038 -19.558 50.701 1.00 70.49 C ATOM 1186 C SER A 128 -4.894 -18.761 51.673 1.00 73.94 C ATOM 1187 O SER A 128 -4.345 -17.948 52.425 1.00 75.17 O ATOM 1188 CB SER A 128 -3.460 -18.608 49.639 1.00 65.84 C ATOM 1189 OG SER A 128 -4.433 -18.279 48.663 1.00 62.55 O ATOM 1190 HG SER A 128 -4.741 -19.106 48.214 1.00 0.00 H ATOM 1191 H SER A 128 -5.576 -20.442 49.472 1.00 0.00 H ATOM 1192 N GLU A 129 -6.206 -18.974 51.690 1.00 76.03 N ATOM 1193 CA GLU A 129 -7.098 -18.273 52.609 1.00 79.22 C ATOM 1194 C GLU A 129 -6.911 -18.756 54.047 1.00 85.11 C ATOM 1195 O GLU A 129 -6.831 -19.958 54.305 1.00 88.72 O ATOM 1196 CB GLU A 129 -8.555 -18.454 52.177 1.00 79.69 C ATOM 1197 CG GLU A 129 -8.866 -17.891 50.799 1.00 75.92 C ATOM 1198 CD GLU A 129 -10.199 -18.370 50.256 1.00 77.53 C ATOM 1199 OE1 GLU A 129 -10.753 -19.342 50.810 1.00 81.55 O ATOM 1200 OE2 GLU A 129 -10.694 -17.776 49.275 1.00 75.42 O ATOM 1201 H GLU A 129 -6.611 -19.664 51.026 1.00 0.00 H TER 1202 GLU A 129 ATOM 1203 N SER B 7 8.526 -25.586 42.232 1.00 93.41 N ATOM 1204 CA SER B 7 8.401 -24.135 42.305 1.00 94.93 C ATOM 1205 C SER B 7 7.163 -23.662 41.550 1.00 90.38 C ATOM 1206 O SER B 7 6.206 -23.171 42.151 1.00 92.31 O ATOM 1207 CB SER B 7 9.651 -23.460 41.742 1.00 96.75 C ATOM 1208 OG SER B 7 9.521 -22.050 41.767 1.00 98.83 O ATOM 1209 HG SER B 7 10.342 -21.637 41.398 1.00 0.00 H ATOM 1210 HN3 SER B 7 8.607 -25.876 41.237 1.00 0.00 H ATOM 1211 HN2 SER B 7 7.685 -26.027 42.655 1.00 0.00 H ATOM 1212 HN1 SER B 7 9.375 -25.886 42.752 1.00 0.00 H ATOM 1213 N GLN B 8 7.197 -23.809 40.230 1.00 83.62 N ATOM 1214 CA GLN B 8 6.062 -23.495 39.378 1.00 76.92 C ATOM 1215 C GLN B 8 5.131 -24.699 39.289 1.00 73.94 C ATOM 1216 O GLN B 8 5.536 -25.842 39.506 1.00 76.11 O ATOM 1217 CB GLN B 8 6.531 -23.087 37.981 1.00 72.25 C ATOM 1218 CG GLN B 8 7.549 -21.956 37.966 1.00 74.36 C ATOM 1219 CD GLN B 8 7.759 -21.373 36.575 1.00 71.80 C ATOM 1220 OE1 GLN B 8 6.800 -21.050 35.872 1.00 68.91 O ATOM 1221 NE2 GLN B 8 9.017 -21.241 36.171 1.00 73.27 N ATOM 1222 HE22 GLN B 8 9.797 -21.526 36.797 1.00 0.00 H ATOM 1223 HE21 GLN B 8 9.222 -20.852 35.229 1.00 0.00 H ATOM 1224 H GLN B 8 8.070 -24.163 39.789 1.00 0.00 H ATOM 1225 N ILE B 9 3.869 -24.431 38.969 1.00 70.20 N ATOM 1226 CA ILE B 9 2.867 -25.489 38.878 1.00 60.23 C ATOM 1227 C ILE B 9 2.965 -26.148 37.507 1.00 61.98 C ATOM 1228 O ILE B 9 2.879 -25.471 36.477 1.00 59.45 O ATOM 1229 CB ILE B 9 1.458 -24.939 39.128 1.00 61.04 C ATOM 1230 CG1 ILE B 9 1.355 -24.382 40.551 1.00 65.99 C ATOM 1231 CG2 ILE B 9 0.415 -26.024 38.876 1.00 59.94 C ATOM 1232 CD1 ILE B 9 -0.005 -23.833 40.900 1.00 67.82 C ATOM 1233 H ILE B 9 3.590 -23.447 38.780 1.00 0.00 H ATOM 1234 N GLN B 10 3.141 -27.469 37.490 1.00 55.73 N ATOM 1235 CA GLN B 10 3.341 -28.217 36.254 1.00 52.53 C ATOM 1236 C GLN B 10 2.029 -28.837 35.791 1.00 50.98 C ATOM 1237 O GLN B 10 1.390 -29.587 36.536 1.00 53.21 O ATOM 1238 CB GLN B 10 4.400 -29.306 36.437 1.00 53.73 C ATOM 1239 H GLN B 10 3.136 -27.986 38.392 1.00 0.00 H ATOM 1240 N PHE B 11 1.634 -28.522 34.562 1.00 48.46 N ATOM 1241 CA PHE B 11 0.464 -29.129 33.928 1.00 47.41 C ATOM 1242 C PHE B 11 0.940 -30.333 33.129 1.00 46.17 C ATOM 1243 O PHE B 11 1.493 -30.192 32.035 1.00 43.95 O ATOM 1244 CB PHE B 11 -0.261 -28.123 33.044 1.00 45.08 C ATOM 1245 CG PHE B 11 -1.100 -27.152 33.806 1.00 46.46 C ATOM 1246 CD1 PHE B 11 -0.528 -26.326 34.758 1.00 48.61 C ATOM 1247 CD2 PHE B 11 -2.458 -27.062 33.572 1.00 46.84 C ATOM 1248 CE1 PHE B 11 -1.293 -25.431 35.469 1.00 51.07 C ATOM 1249 CE2 PHE B 11 -3.231 -26.168 34.274 1.00 49.34 C ATOM 1250 CZ PHE B 11 -2.647 -25.348 35.228 1.00 54.49 C ATOM 1251 H PHE B 11 2.179 -27.815 34.029 1.00 0.00 H ATOM 1252 N THR B 12 0.709 -31.524 33.678 1.00 48.25 N ATOM 1253 CA THR B 12 1.256 -32.750 33.113 1.00 47.96 C ATOM 1254 C THR B 12 0.600 -33.144 31.794 1.00 46.12 C ATOM 1255 O THR B 12 1.218 -33.868 31.006 1.00 45.85 O ATOM 1256 CB THR B 12 1.112 -33.875 34.133 1.00 51.24 C ATOM 1257 OG1 THR B 12 -0.252 -33.941 34.564 1.00 52.51 O ATOM 1258 CG2 THR B 12 1.993 -33.597 35.339 1.00 53.48 C ATOM 1259 HG1 THR B 12 -0.353 -34.670 35.227 1.00 0.00 H ATOM 1260 H THR B 12 0.121 -31.580 34.534 1.00 0.00 H ATOM 1261 N ARG B 13 -0.624 -32.693 31.534 1.00 45.45 N ATOM 1262 CA ARG B 13 -1.321 -33.010 30.297 1.00 44.14 C ATOM 1263 C ARG B 13 -1.314 -31.858 29.298 1.00 42.08 C ATOM 1264 O ARG B 13 -1.919 -31.980 28.228 1.00 41.49 O ATOM 1265 CB ARG B 13 -2.766 -33.426 30.600 1.00 45.91 C ATOM 1266 H ARG B 13 -1.099 -32.094 32.239 1.00 0.00 H ATOM 1267 N HIS B 14 -0.628 -30.756 29.605 1.00 41.21 N ATOM 1268 CA HIS B 14 -0.736 -29.559 28.778 1.00 39.57 C ATOM 1269 C HIS B 14 -0.068 -29.746 27.421 1.00 37.93 C ATOM 1270 O HIS B 14 -0.682 -29.498 26.376 1.00 36.66 O ATOM 1271 CB HIS B 14 -0.128 -28.360 29.500 1.00 40.42 C ATOM 1272 CG HIS B 14 -0.044 -27.140 28.644 1.00 39.36 C ATOM 1273 ND1 HIS B 14 -1.145 -26.368 28.345 1.00 39.59 N ATOM 1274 CD2 HIS B 14 1.000 -26.576 27.995 1.00 38.70 C ATOM 1275 CE1 HIS B 14 -0.779 -25.369 27.563 1.00 38.86 C ATOM 1276 NE2 HIS B 14 0.518 -25.472 27.335 1.00 38.28 N ATOM 1277 H HIS B 14 -0.010 -30.750 30.442 1.00 0.00 H ATOM 1278 N ALA B 15 1.205 -30.153 27.420 1.00 38.50 N ATOM 1279 CA ALA B 15 1.934 -30.328 26.165 1.00 37.22 C ATOM 1280 C ALA B 15 1.212 -31.288 25.231 1.00 37.63 C ATOM 1281 O ALA B 15 1.178 -31.078 24.014 1.00 37.34 O ATOM 1282 CB ALA B 15 3.351 -30.831 26.444 1.00 38.28 C ATOM 1283 H ALA B 15 1.683 -30.348 28.323 1.00 0.00 H ATOM 1284 N SER B 16 0.615 -32.342 25.790 1.00 38.90 N ATOM 1285 CA SER B 16 -0.112 -33.314 24.983 1.00 39.52 C ATOM 1286 C SER B 16 -1.422 -32.735 24.450 1.00 39.11 C ATOM 1287 O SER B 16 -1.800 -32.997 23.301 1.00 38.00 O ATOM 1288 CB SER B 16 -0.356 -34.574 25.815 1.00 42.51 C ATOM 1289 OG SER B 16 -1.297 -35.434 25.206 1.00 44.29 O ATOM 1290 HG SER B 16 -2.159 -34.958 25.103 1.00 0.00 H ATOM 1291 H SER B 16 0.669 -32.472 26.820 1.00 0.00 H ATOM 1292 N ASP B 17 -2.127 -31.939 25.265 1.00 40.40 N ATOM 1293 CA ASP B 17 -3.361 -31.305 24.802 1.00 40.75 C ATOM 1294 C ASP B 17 -3.091 -30.238 23.746 1.00 38.07 C ATOM 1295 O ASP B 17 -3.917 -30.038 22.846 1.00 38.41 O ATOM 1296 CB ASP B 17 -4.124 -30.691 25.979 1.00 43.63 C ATOM 1297 CG ASP B 17 -4.774 -31.740 26.878 1.00 48.49 C ATOM 1298 OD1 ASP B 17 -4.595 -32.952 26.627 1.00 49.99 O ATOM 1299 OD2 ASP B 17 -5.472 -31.347 27.839 1.00 50.85 O ATOM 1300 H ASP B 17 -1.794 -31.770 26.236 1.00 0.00 H ATOM 1301 N VAL B 18 -1.956 -29.540 23.838 1.00 35.53 N ATOM 1302 CA VAL B 18 -1.591 -28.587 22.793 1.00 34.21 C ATOM 1303 C VAL B 18 -1.374 -29.312 21.468 1.00 34.60 C ATOM 1304 O VAL B 18 -1.875 -28.889 20.419 1.00 34.31 O ATOM 1305 CB VAL B 18 -0.345 -27.778 23.203 1.00 33.63 C ATOM 1306 CG1 VAL B 18 0.209 -27.008 22.006 1.00 31.94 C ATOM 1307 CG2 VAL B 18 -0.669 -26.833 24.351 1.00 34.43 C ATOM 1308 H VAL B 18 -1.330 -29.676 24.657 1.00 0.00 H ATOM 1309 N LEU B 19 -0.624 -30.417 21.497 1.00 35.50 N ATOM 1310 CA LEU B 19 -0.351 -31.155 20.269 1.00 35.82 C ATOM 1311 C LEU B 19 -1.638 -31.705 19.668 1.00 36.09 C ATOM 1312 O LEU B 19 -1.795 -31.753 18.442 1.00 34.78 O ATOM 1313 CB LEU B 19 0.642 -32.284 20.547 1.00 37.18 C ATOM 1314 CG LEU B 19 1.305 -32.917 19.318 1.00 36.82 C ATOM 1315 CD1 LEU B 19 2.217 -31.913 18.629 1.00 35.26 C ATOM 1316 CD2 LEU B 19 2.069 -34.175 19.694 1.00 37.99 C ATOM 1317 H LEU B 19 -0.233 -30.753 22.400 1.00 0.00 H ATOM 1318 N LEU B 20 -2.582 -32.106 20.519 1.00 37.94 N ATOM 1319 CA LEU B 20 -3.870 -32.575 20.021 1.00 39.53 C ATOM 1320 C LEU B 20 -4.627 -31.461 19.313 1.00 39.05 C ATOM 1321 O LEU B 20 -5.211 -31.676 18.245 1.00 39.92 O ATOM 1322 CB LEU B 20 -4.698 -33.134 21.172 1.00 42.17 C ATOM 1323 CG LEU B 20 -6.172 -33.416 20.894 1.00 45.11 C ATOM 1324 CD1 LEU B 20 -6.313 -34.430 19.773 1.00 46.97 C ATOM 1325 CD2 LEU B 20 -6.853 -33.908 22.162 1.00 47.66 C ATOM 1326 H LEU B 20 -2.399 -32.084 21.543 1.00 0.00 H ATOM 1327 N ASN B 21 -4.623 -30.259 19.888 1.00 38.16 N ATOM 1328 CA ASN B 21 -5.315 -29.152 19.242 1.00 37.56 C ATOM 1329 C ASN B 21 -4.608 -28.721 17.961 1.00 36.80 C ATOM 1330 O ASN B 21 -5.269 -28.289 17.009 1.00 37.71 O ATOM 1331 CB ASN B 21 -5.459 -27.982 20.218 1.00 36.49 C ATOM 1332 CG ASN B 21 -6.546 -28.223 21.246 1.00 38.36 C ATOM 1333 OD1 ASN B 21 -7.409 -29.083 21.057 1.00 40.10 O ATOM 1334 ND2 ASN B 21 -6.518 -27.463 22.335 1.00 38.91 N ATOM 1335 HD22 ASN B 21 -5.770 -26.750 22.452 1.00 0.00 H ATOM 1336 HD21 ASN B 21 -7.244 -27.581 23.071 1.00 0.00 H ATOM 1337 H ASN B 21 -4.129 -30.112 20.792 1.00 0.00 H ATOM 1338 N LEU B 22 -3.278 -28.836 17.910 1.00 35.35 N ATOM 1339 CA LEU B 22 -2.573 -28.540 16.669 1.00 34.90 C ATOM 1340 C LEU B 22 -3.002 -29.496 15.566 1.00 36.67 C ATOM 1341 O LEU B 22 -3.200 -29.083 14.419 1.00 37.63 O ATOM 1342 CB LEU B 22 -1.061 -28.612 16.878 1.00 34.36 C ATOM 1343 CG LEU B 22 -0.391 -27.560 17.764 1.00 34.84 C ATOM 1344 CD1 LEU B 22 1.122 -27.745 17.737 1.00 35.30 C ATOM 1345 CD2 LEU B 22 -0.779 -26.140 17.348 1.00 35.27 C ATOM 1346 H LEU B 22 -2.747 -29.136 18.753 1.00 0.00 H ATOM 1347 N ASN B 23 -3.159 -30.780 15.900 1.00 38.05 N ATOM 1348 CA ASN B 23 -3.593 -31.759 14.912 1.00 40.01 C ATOM 1349 C ASN B 23 -5.011 -31.470 14.443 1.00 42.28 C ATOM 1350 O ASN B 23 -5.321 -31.629 13.257 1.00 42.39 O ATOM 1351 CB ASN B 23 -3.492 -33.168 15.495 1.00 41.02 C ATOM 1352 CG ASN B 23 -3.533 -34.248 14.429 1.00 43.12 C ATOM 1353 OD1 ASN B 23 -3.178 -34.010 13.275 1.00 43.50 O ATOM 1354 ND2 ASN B 23 -3.961 -35.444 14.814 1.00 45.34 N ATOM 1355 HD22 ASN B 23 -4.251 -35.600 15.800 1.00 0.00 H ATOM 1356 HD21 ASN B 23 -4.006 -36.225 14.129 1.00 0.00 H ATOM 1357 H ASN B 23 -2.969 -31.084 16.876 1.00 0.00 H ATOM 1358 N ARG B 24 -5.882 -31.036 15.359 1.00 44.77 N ATOM 1359 CA ARG B 24 -7.234 -30.654 14.967 1.00 49.09 C ATOM 1360 C ARG B 24 -7.208 -29.498 13.977 1.00 46.73 C ATOM 1361 O ARG B 24 -8.003 -29.463 13.030 1.00 49.33 O ATOM 1362 CB ARG B 24 -8.058 -30.287 16.199 1.00 53.03 C ATOM 1363 CG ARG B 24 -8.179 -31.410 17.208 1.00 56.99 C ATOM 1364 CD ARG B 24 -9.040 -31.014 18.393 1.00 60.58 C ATOM 1365 NE ARG B 24 -9.159 -32.112 19.345 1.00 64.62 N ATOM 1366 CZ ARG B 24 -10.062 -32.165 20.318 1.00 68.90 C ATOM 1367 NH1 ARG B 24 -10.936 -31.180 20.469 1.00 71.14 N ATOM 1368 NH2 ARG B 24 -10.095 -33.208 21.135 1.00 71.02 N ATOM 1369 HE ARG B 24 -8.493 -32.906 19.256 1.00 0.00 H ATOM 1370 HH12 ARG B 24 -11.642 -31.224 21.231 1.00 0.00 H ATOM 1371 HH11 ARG B 24 -10.916 -30.364 19.825 1.00 0.00 H ATOM 1372 HH22 ARG B 24 -10.802 -33.250 21.897 1.00 0.00 H ATOM 1373 HH21 ARG B 24 -9.414 -33.985 21.014 1.00 0.00 H ATOM 1374 H ARG B 24 -5.594 -30.970 16.356 1.00 0.00 H ATOM 1375 N LEU B 25 -6.298 -28.542 14.179 1.00 42.34 N ATOM 1376 CA LEU B 25 -6.146 -27.462 13.212 1.00 40.45 C ATOM 1377 C LEU B 25 -5.665 -27.997 11.872 1.00 39.79 C ATOM 1378 O LEU B 25 -6.098 -27.525 10.815 1.00 40.87 O ATOM 1379 CB LEU B 25 -5.186 -26.399 13.751 1.00 38.59 C ATOM 1380 CG LEU B 25 -5.626 -25.601 14.991 1.00 38.85 C ATOM 1381 CD1 LEU B 25 -4.669 -24.446 15.258 1.00 38.59 C ATOM 1382 CD2 LEU B 25 -7.051 -25.092 14.853 1.00 41.13 C ATOM 1383 H LEU B 25 -5.697 -28.568 15.027 1.00 0.00 H ATOM 1384 N ARG B 26 -4.774 -28.995 11.896 1.00 38.62 N ATOM 1385 CA ARG B 26 -4.330 -29.624 10.657 1.00 39.07 C ATOM 1386 C ARG B 26 -5.476 -30.357 9.966 1.00 40.88 C ATOM 1387 O ARG B 26 -5.567 -30.354 8.733 1.00 41.65 O ATOM 1388 CB ARG B 26 -3.170 -30.583 10.934 1.00 37.99 C ATOM 1389 CG ARG B 26 -2.679 -31.320 9.691 1.00 39.26 C ATOM 1390 CD ARG B 26 -1.391 -32.083 9.952 1.00 38.92 C ATOM 1391 NE ARG B 26 -1.608 -33.312 10.709 1.00 39.56 N ATOM 1392 CZ ARG B 26 -1.674 -34.524 10.162 1.00 42.02 C ATOM 1393 NH1 ARG B 26 -1.538 -34.672 8.850 1.00 43.83 N ATOM 1394 NH2 ARG B 26 -1.875 -35.589 10.926 1.00 43.05 N ATOM 1395 HE ARG B 26 -1.718 -33.236 11.740 1.00 0.00 H ATOM 1396 HH12 ARG B 26 -1.590 -35.620 8.425 1.00 0.00 H ATOM 1397 HH11 ARG B 26 -1.379 -33.840 8.247 1.00 0.00 H ATOM 1398 HH22 ARG B 26 -1.926 -36.535 10.497 1.00 0.00 H ATOM 1399 HH21 ARG B 26 -1.981 -35.478 11.955 1.00 0.00 H ATOM 1400 H ARG B 26 -4.395 -29.325 12.806 1.00 0.00 H ATOM 1401 N SER B 27 -6.364 -30.985 10.743 1.00 41.96 N ATOM 1402 CA SER B 27 -7.490 -31.700 10.153 1.00 45.27 C ATOM 1403 C SER B 27 -8.469 -30.755 9.472 1.00 47.84 C ATOM 1404 O SER B 27 -9.115 -31.139 8.490 1.00 51.53 O ATOM 1405 CB SER B 27 -8.213 -32.521 11.221 1.00 46.19 C ATOM 1406 OG SER B 27 -7.391 -33.571 11.705 1.00 45.62 O ATOM 1407 HG SER B 27 -6.569 -33.188 12.103 1.00 0.00 H ATOM 1408 H SER B 27 -6.251 -30.964 11.777 1.00 0.00 H ATOM 1409 N ARG B 28 -8.601 -29.531 9.975 1.00 46.71 N ATOM 1410 CA ARG B 28 -9.496 -28.543 9.391 1.00 49.59 C ATOM 1411 C ARG B 28 -8.767 -27.552 8.494 1.00 50.39 C ATOM 1412 O ARG B 28 -9.409 -26.660 7.928 1.00 51.73 O ATOM 1413 CB ARG B 28 -10.253 -27.808 10.502 1.00 49.49 C ATOM 1414 CG ARG B 28 -11.285 -28.680 11.209 1.00 52.00 C ATOM 1415 CD ARG B 28 -11.384 -28.353 12.687 1.00 51.32 C ATOM 1416 NE ARG B 28 -11.856 -26.991 12.913 1.00 52.26 N ATOM 1417 CZ ARG B 28 -11.785 -26.358 14.081 1.00 51.24 C ATOM 1418 NH1 ARG B 28 -11.250 -26.965 15.138 1.00 49.69 N ATOM 1419 NH2 ARG B 28 -12.241 -25.114 14.193 1.00 51.62 N ATOM 1420 HE ARG B 28 -12.275 -26.482 12.109 1.00 0.00 H ATOM 1421 HH12 ARG B 28 -11.195 -26.469 16.050 1.00 0.00 H ATOM 1422 HH11 ARG B 28 -10.887 -27.936 15.052 1.00 0.00 H ATOM 1423 HH22 ARG B 28 -12.185 -24.620 15.106 1.00 0.00 H ATOM 1424 HH21 ARG B 28 -12.654 -24.635 13.367 1.00 0.00 H ATOM 1425 H ARG B 28 -8.045 -29.271 10.815 1.00 0.00 H ATOM 1426 N ASP B 29 -7.446 -27.701 8.347 1.00 44.08 N ATOM 1427 CA ASP B 29 -6.623 -26.871 7.462 1.00 44.03 C ATOM 1428 C ASP B 29 -6.619 -25.411 7.911 1.00 42.07 C ATOM 1429 O ASP B 29 -6.632 -24.484 7.098 1.00 41.93 O ATOM 1430 CB ASP B 29 -7.064 -27.001 6.001 1.00 48.73 C ATOM 1431 CG ASP B 29 -6.001 -26.523 5.030 1.00 50.92 C ATOM 1432 OD1 ASP B 29 -6.227 -25.515 4.324 1.00 53.95 O ATOM 1433 OD2 ASP B 29 -4.919 -27.143 5.000 1.00 51.11 O ATOM 1434 H ASP B 29 -6.975 -28.450 8.893 1.00 0.00 H ATOM 1435 N ILE B 30 -6.584 -25.206 9.221 1.00 40.54 N ATOM 1436 CA ILE B 30 -6.509 -23.871 9.796 1.00 39.81 C ATOM 1437 C ILE B 30 -5.040 -23.504 9.961 1.00 37.86 C ATOM 1438 O ILE B 30 -4.304 -24.176 10.692 1.00 36.61 O ATOM 1439 CB ILE B 30 -7.254 -23.802 11.137 1.00 40.82 C ATOM 1440 CG1 ILE B 30 -8.744 -24.066 10.921 1.00 42.77 C ATOM 1441 CG2 ILE B 30 -7.030 -22.454 11.807 1.00 41.96 C ATOM 1442 CD1 ILE B 30 -9.573 -23.911 12.166 1.00 44.92 C ATOM 1443 H ILE B 30 -6.611 -26.027 9.859 1.00 0.00 H ATOM 1444 N LEU B 31 -4.612 -22.453 9.258 1.00 37.55 N ATOM 1445 CA LEU B 31 -3.267 -21.889 9.367 1.00 36.63 C ATOM 1446 C LEU B 31 -2.173 -22.852 8.909 1.00 34.24 C ATOM 1447 O LEU B 31 -1.000 -22.669 9.251 1.00 33.71 O ATOM 1448 CB LEU B 31 -2.981 -21.407 10.794 1.00 37.04 C ATOM 1449 CG LEU B 31 -3.660 -20.092 11.178 1.00 39.78 C ATOM 1450 CD1 LEU B 31 -3.738 -19.956 12.682 1.00 40.89 C ATOM 1451 CD2 LEU B 31 -2.911 -18.913 10.576 1.00 40.53 C ATOM 1452 H LEU B 31 -5.276 -22.008 8.592 1.00 0.00 H ATOM 1453 N THR B 32 -2.518 -23.881 8.142 1.00 33.42 N ATOM 1454 CA THR B 32 -1.485 -24.630 7.443 1.00 32.61 C ATOM 1455 C THR B 32 -0.779 -23.700 6.467 1.00 32.84 C ATOM 1456 O THR B 32 -1.424 -22.916 5.762 1.00 33.43 O ATOM 1457 CB THR B 32 -2.087 -25.827 6.710 1.00 33.04 C ATOM 1458 OG1 THR B 32 -3.180 -25.387 5.895 1.00 35.61 O ATOM 1459 CG2 THR B 32 -2.584 -26.864 7.707 1.00 32.78 C ATOM 1460 HG1 THR B 32 -3.570 -26.163 5.420 1.00 0.00 H ATOM 1461 H THR B 32 -3.518 -24.149 8.042 1.00 0.00 H ATOM 1462 N ASP B 33 0.553 -23.771 6.440 1.00 32.42 N ATOM 1463 CA ASP B 33 1.347 -22.793 5.708 1.00 33.84 C ATOM 1464 C ASP B 33 2.392 -23.418 4.788 1.00 31.77 C ATOM 1465 O ASP B 33 3.253 -22.696 4.274 1.00 33.14 O ATOM 1466 CB ASP B 33 2.022 -21.828 6.694 1.00 36.95 C ATOM 1467 CG ASP B 33 2.867 -22.552 7.733 1.00 38.18 C ATOM 1468 OD1 ASP B 33 3.750 -21.904 8.341 1.00 40.21 O ATOM 1469 OD2 ASP B 33 2.658 -23.772 7.926 1.00 36.76 O ATOM 1470 H ASP B 33 1.034 -24.539 6.951 1.00 0.00 H ATOM 1471 N VAL B 34 2.340 -24.728 4.555 1.00 29.38 N ATOM 1472 CA VAL B 34 3.256 -25.373 3.623 1.00 29.22 C ATOM 1473 C VAL B 34 2.581 -26.615 3.068 1.00 29.10 C ATOM 1474 O VAL B 34 1.756 -27.248 3.734 1.00 29.06 O ATOM 1475 CB VAL B 34 4.611 -25.724 4.284 1.00 29.06 C ATOM 1476 CG1 VAL B 34 4.454 -26.879 5.264 1.00 28.06 C ATOM 1477 CG2 VAL B 34 5.661 -26.040 3.227 1.00 29.89 C ATOM 1478 H VAL B 34 1.629 -25.304 5.050 1.00 0.00 H ATOM 1479 N VAL B 35 2.918 -26.943 1.825 1.00 29.93 N ATOM 1480 CA VAL B 35 2.487 -28.176 1.179 1.00 30.68 C ATOM 1481 C VAL B 35 3.726 -29.018 0.941 1.00 30.77 C ATOM 1482 O VAL B 35 4.630 -28.610 0.200 1.00 31.30 O ATOM 1483 CB VAL B 35 1.748 -27.915 -0.141 1.00 32.64 C ATOM 1484 CG1 VAL B 35 1.470 -29.232 -0.839 1.00 30.25 C ATOM 1485 CG2 VAL B 35 0.455 -27.159 0.110 1.00 33.42 C ATOM 1486 H VAL B 35 3.519 -26.287 1.287 1.00 0.00 H ATOM 1487 N ILE B 36 3.776 -30.183 1.573 1.00 30.65 N ATOM 1488 CA ILE B 36 4.862 -31.133 1.378 1.00 31.21 C ATOM 1489 C ILE B 36 4.415 -32.149 0.338 1.00 32.42 C ATOM 1490 O ILE B 36 3.361 -32.780 0.484 1.00 32.24 O ATOM 1491 CB ILE B 36 5.258 -31.808 2.697 1.00 30.42 C ATOM 1492 CG1 ILE B 36 5.561 -30.740 3.753 1.00 29.02 C ATOM 1493 CG2 ILE B 36 6.458 -32.721 2.479 1.00 31.47 C ATOM 1494 CD1 ILE B 36 6.658 -29.777 3.348 1.00 29.21 C ATOM 1495 H ILE B 36 3.010 -30.427 2.233 1.00 0.00 H ATOM 1496 N VAL B 37 5.203 -32.293 -0.724 1.00 34.49 N ATOM 1497 CA VAL B 37 4.852 -33.128 -1.866 1.00 37.59 C ATOM 1498 C VAL B 37 5.800 -34.316 -1.904 1.00 39.99 C ATOM 1499 O VAL B 37 7.023 -34.146 -1.982 1.00 40.92 O ATOM 1500 CB VAL B 37 4.909 -32.339 -3.181 1.00 39.08 C ATOM 1501 CG1 VAL B 37 4.363 -33.183 -4.319 1.00 41.16 C ATOM 1502 CG2 VAL B 37 4.135 -31.040 -3.045 1.00 38.54 C ATOM 1503 H VAL B 37 6.111 -31.787 -0.740 1.00 0.00 H ATOM 1504 N VAL B 38 5.233 -35.516 -1.845 1.00 42.06 N ATOM 1505 CA VAL B 38 5.977 -36.763 -1.955 1.00 45.61 C ATOM 1506 C VAL B 38 5.365 -37.553 -3.100 1.00 49.69 C ATOM 1507 O VAL B 38 4.140 -37.719 -3.156 1.00 49.60 O ATOM 1508 CB VAL B 38 5.934 -37.571 -0.645 1.00 44.92 C ATOM 1509 CG1 VAL B 38 6.951 -38.679 -0.689 1.00 47.25 C ATOM 1510 CG2 VAL B 38 6.158 -36.668 0.561 1.00 42.09 C ATOM 1511 H VAL B 38 4.203 -35.568 -1.713 1.00 0.00 H ATOM 1512 N SER B 39 6.214 -38.047 -4.002 1.00 54.37 N ATOM 1513 CA SER B 39 5.749 -38.532 -5.294 1.00 58.14 C ATOM 1514 C SER B 39 4.836 -37.479 -5.906 1.00 59.26 C ATOM 1515 O SER B 39 5.299 -36.407 -6.308 1.00 59.84 O ATOM 1516 CB SER B 39 5.030 -39.878 -5.161 1.00 58.99 C ATOM 1517 OG SER B 39 5.958 -40.938 -4.999 1.00 60.04 O ATOM 1518 HG SER B 39 5.468 -41.794 -4.916 1.00 0.00 H ATOM 1519 H SER B 39 7.229 -38.087 -3.778 1.00 0.00 H ATOM 1520 N ARG B 40 3.536 -37.760 -5.953 1.00 59.14 N ATOM 1521 CA ARG B 40 2.556 -36.783 -6.400 1.00 57.42 C ATOM 1522 C ARG B 40 1.534 -36.442 -5.327 1.00 54.30 C ATOM 1523 O ARG B 40 0.604 -35.676 -5.602 1.00 54.69 O ATOM 1524 CB ARG B 40 1.835 -37.282 -7.660 1.00 60.36 C ATOM 1525 H ARG B 40 3.212 -38.704 -5.662 1.00 0.00 H ATOM 1526 N GLU B 41 1.673 -36.981 -4.119 1.00 51.44 N ATOM 1527 CA GLU B 41 0.738 -36.698 -3.040 1.00 49.13 C ATOM 1528 C GLU B 41 1.146 -35.422 -2.312 1.00 45.57 C ATOM 1529 O GLU B 41 2.331 -35.181 -2.066 1.00 44.07 O ATOM 1530 CB GLU B 41 0.676 -37.873 -2.062 1.00 48.69 C ATOM 1531 H GLU B 41 2.472 -37.622 -3.940 1.00 0.00 H ATOM 1532 N GLN B 42 0.155 -34.599 -1.985 1.00 44.89 N ATOM 1533 CA GLN B 42 0.362 -33.364 -1.242 1.00 42.18 C ATOM 1534 C GLN B 42 -0.043 -33.557 0.212 1.00 40.21 C ATOM 1535 O GLN B 42 -1.074 -34.171 0.503 1.00 40.55 O ATOM 1536 CB GLN B 42 -0.448 -32.219 -1.849 1.00 43.51 C ATOM 1537 CG GLN B 42 0.047 -31.748 -3.199 1.00 46.17 C ATOM 1538 CD GLN B 42 -0.906 -30.771 -3.849 1.00 48.80 C ATOM 1539 OE1 GLN B 42 -2.117 -30.839 -3.646 1.00 50.40 O ATOM 1540 NE2 GLN B 42 -0.366 -29.852 -4.633 1.00 50.04 N ATOM 1541 HE22 GLN B 42 0.664 -29.831 -4.777 1.00 0.00 H ATOM 1542 HE21 GLN B 42 -0.971 -29.151 -5.105 1.00 0.00 H ATOM 1543 H GLN B 42 -0.813 -34.849 -2.273 1.00 0.00 H ATOM 1544 N PHE B 43 0.772 -33.023 1.121 1.00 38.50 N ATOM 1545 CA PHE B 43 0.499 -33.066 2.555 1.00 37.17 C ATOM 1546 C PHE B 43 0.584 -31.650 3.100 1.00 35.17 C ATOM 1547 O PHE B 43 1.629 -31.001 2.979 1.00 35.01 O ATOM 1548 CB PHE B 43 1.493 -33.977 3.284 1.00 37.57 C ATOM 1549 CG PHE B 43 1.583 -35.360 2.715 1.00 40.09 C ATOM 1550 CD1 PHE B 43 2.421 -35.630 1.639 1.00 41.37 C ATOM 1551 CD2 PHE B 43 0.843 -36.397 3.261 1.00 41.69 C ATOM 1552 CE1 PHE B 43 2.511 -36.905 1.109 1.00 43.51 C ATOM 1553 CE2 PHE B 43 0.930 -37.677 2.741 1.00 43.86 C ATOM 1554 CZ PHE B 43 1.766 -37.931 1.662 1.00 44.85 C ATOM 1555 H PHE B 43 1.641 -32.555 0.795 1.00 0.00 H ATOM 1556 N ARG B 44 -0.501 -31.173 3.702 1.00 34.45 N ATOM 1557 CA ARG B 44 -0.555 -29.825 4.259 1.00 33.33 C ATOM 1558 C ARG B 44 -0.207 -29.876 5.741 1.00 32.68 C ATOM 1559 O ARG B 44 -0.719 -30.728 6.474 1.00 33.05 O ATOM 1560 CB ARG B 44 -1.936 -29.201 4.044 1.00 33.41 C ATOM 1561 CG ARG B 44 -2.295 -29.056 2.567 1.00 34.24 C ATOM 1562 CD ARG B 44 -3.743 -28.628 2.314 1.00 34.83 C ATOM 1563 NE ARG B 44 -3.977 -27.218 2.613 1.00 34.11 N ATOM 1564 CZ ARG B 44 -3.697 -26.212 1.789 1.00 34.19 C ATOM 1565 NH1 ARG B 44 -3.161 -26.445 0.597 1.00 33.64 N ATOM 1566 NH2 ARG B 44 -3.955 -24.968 2.163 1.00 35.01 N ATOM 1567 HE ARG B 44 -4.393 -26.983 3.537 1.00 0.00 H ATOM 1568 HH12 ARG B 44 -2.946 -25.652 -0.040 1.00 0.00 H ATOM 1569 HH11 ARG B 44 -2.957 -27.421 0.301 1.00 0.00 H ATOM 1570 HH22 ARG B 44 -3.738 -24.177 1.523 1.00 0.00 H ATOM 1571 HH21 ARG B 44 -4.374 -24.782 3.096 1.00 0.00 H ATOM 1572 H ARG B 44 -1.341 -31.782 3.779 1.00 0.00 H ATOM 1573 N ALA B 45 0.672 -28.973 6.177 1.00 31.77 N ATOM 1574 CA ALA B 45 1.155 -28.995 7.550 1.00 30.80 C ATOM 1575 C ALA B 45 1.494 -27.584 8.011 1.00 30.56 C ATOM 1576 O ALA B 45 1.459 -26.622 7.239 1.00 30.90 O ATOM 1577 CB ALA B 45 2.380 -29.906 7.692 1.00 30.28 C ATOM 1578 H ALA B 45 1.018 -28.241 5.525 1.00 0.00 H ATOM 1579 N HIS B 46 1.821 -27.477 9.295 1.00 30.34 N ATOM 1580 CA HIS B 46 2.368 -26.263 9.882 1.00 30.39 C ATOM 1581 C HIS B 46 3.885 -26.390 9.944 1.00 30.83 C ATOM 1582 O HIS B 46 4.405 -27.383 10.465 1.00 31.22 O ATOM 1583 CB HIS B 46 1.807 -26.030 11.284 1.00 31.20 C ATOM 1584 CG HIS B 46 0.313 -26.099 11.362 1.00 31.39 C ATOM 1585 ND1 HIS B 46 -0.364 -27.265 11.649 1.00 31.73 N ATOM 1586 CD2 HIS B 46 -0.634 -25.144 11.199 1.00 32.54 C ATOM 1587 CE1 HIS B 46 -1.664 -27.026 11.656 1.00 32.37 C ATOM 1588 NE2 HIS B 46 -1.855 -25.746 11.386 1.00 32.90 N ATOM 1589 H HIS B 46 1.679 -28.303 9.911 1.00 0.00 H ATOM 1590 N LYS B 47 4.590 -25.381 9.421 1.00 31.26 N ATOM 1591 CA LYS B 47 6.047 -25.455 9.360 1.00 31.24 C ATOM 1592 C LYS B 47 6.660 -25.594 10.747 1.00 32.59 C ATOM 1593 O LYS B 47 7.621 -26.350 10.930 1.00 32.93 O ATOM 1594 CB LYS B 47 6.613 -24.223 8.659 1.00 31.69 C ATOM 1595 CG LYS B 47 6.127 -24.020 7.248 1.00 30.78 C ATOM 1596 CD LYS B 47 6.759 -22.770 6.665 1.00 31.91 C ATOM 1597 CE LYS B 47 6.258 -22.504 5.266 1.00 31.69 C ATOM 1598 NZ LYS B 47 6.770 -21.209 4.750 1.00 34.31 N ATOM 1599 HZ1 LYS B 47 6.449 -20.439 5.370 1.00 0.00 H ATOM 1600 HZ2 LYS B 47 7.810 -21.231 4.732 1.00 0.00 H ATOM 1601 HZ3 LYS B 47 6.409 -21.054 3.787 1.00 0.00 H ATOM 1602 H LYS B 47 4.098 -24.540 9.056 1.00 0.00 H ATOM 1603 N THR B 48 6.123 -24.872 11.737 1.00 33.54 N ATOM 1604 CA THR B 48 6.687 -24.940 13.083 1.00 34.29 C ATOM 1605 C THR B 48 6.649 -26.364 13.625 1.00 32.44 C ATOM 1606 O THR B 48 7.623 -26.834 14.226 1.00 32.48 O ATOM 1607 CB THR B 48 5.951 -23.986 14.029 1.00 35.42 C ATOM 1608 OG1 THR B 48 4.537 -24.192 13.924 1.00 35.31 O ATOM 1609 CG2 THR B 48 6.275 -22.546 13.696 1.00 36.37 C ATOM 1610 HG1 THR B 48 4.068 -23.573 14.538 1.00 0.00 H ATOM 1611 H THR B 48 5.303 -24.261 11.548 1.00 0.00 H ATOM 1612 N VAL B 49 5.539 -27.075 13.412 1.00 31.44 N ATOM 1613 CA VAL B 49 5.463 -28.454 13.886 1.00 31.16 C ATOM 1614 C VAL B 49 6.484 -29.318 13.158 1.00 31.22 C ATOM 1615 O VAL B 49 7.113 -30.199 13.757 1.00 32.55 O ATOM 1616 CB VAL B 49 4.032 -29.003 13.736 1.00 29.53 C ATOM 1617 CG1 VAL B 49 3.973 -30.457 14.173 1.00 29.22 C ATOM 1618 CG2 VAL B 49 3.067 -28.172 14.557 1.00 30.07 C ATOM 1619 H VAL B 49 4.733 -26.649 12.911 1.00 0.00 H ATOM 1620 N LEU B 50 6.696 -29.053 11.864 1.00 30.40 N ATOM 1621 CA LEU B 50 7.662 -29.831 11.092 1.00 31.40 C ATOM 1622 C LEU B 50 9.091 -29.575 11.553 1.00 33.67 C ATOM 1623 O LEU B 50 9.887 -30.515 11.669 1.00 35.65 O ATOM 1624 CB LEU B 50 7.527 -29.511 9.607 1.00 31.75 C ATOM 1625 CG LEU B 50 6.169 -29.791 8.977 1.00 31.87 C ATOM 1626 CD1 LEU B 50 6.136 -29.237 7.564 1.00 32.27 C ATOM 1627 CD2 LEU B 50 5.880 -31.282 8.981 1.00 32.36 C ATOM 1628 H LEU B 50 6.168 -28.285 11.403 1.00 0.00 H ATOM 1629 N MET B 51 9.446 -28.311 11.793 1.00 34.08 N ATOM 1630 CA MET B 51 10.797 -27.995 12.246 1.00 35.90 C ATOM 1631 C MET B 51 11.068 -28.551 13.633 1.00 35.85 C ATOM 1632 O MET B 51 12.213 -28.887 13.951 1.00 37.32 O ATOM 1633 CB MET B 51 11.019 -26.484 12.268 1.00 37.92 C ATOM 1634 CG MET B 51 10.761 -25.777 10.964 1.00 38.00 C ATOM 1635 SD MET B 51 10.745 -24.003 11.245 1.00 40.79 S ATOM 1636 CE MET B 51 12.467 -23.678 11.627 1.00 43.89 C ATOM 1637 H MET B 51 8.755 -27.546 11.656 1.00 0.00 H ATOM 1638 N ALA B 52 10.040 -28.621 14.476 1.00 35.05 N ATOM 1639 CA ALA B 52 10.218 -29.126 15.830 1.00 36.60 C ATOM 1640 C ALA B 52 10.382 -30.639 15.872 1.00 36.80 C ATOM 1641 O ALA B 52 10.911 -31.162 16.858 1.00 39.39 O ATOM 1642 CB ALA B 52 9.038 -28.704 16.702 1.00 36.36 C ATOM 1643 H ALA B 52 9.098 -28.311 14.163 1.00 0.00 H ATOM 1644 N CYS B 53 9.967 -31.351 14.821 1.00 34.90 N ATOM 1645 CA CYS B 53 10.039 -32.806 14.798 1.00 35.70 C ATOM 1646 C CYS B 53 11.099 -33.369 13.864 1.00 36.20 C ATOM 1647 O CYS B 53 11.481 -34.533 14.030 1.00 37.68 O ATOM 1648 CB CYS B 53 8.684 -33.405 14.394 1.00 34.77 C ATOM 1649 SG CYS B 53 7.311 -32.922 15.445 1.00 35.13 S ATOM 1650 H CYS B 53 9.581 -30.852 13.994 1.00 0.00 H ATOM 1651 N SER B 54 11.584 -32.587 12.899 1.00 35.37 N ATOM 1652 CA SER B 54 12.432 -33.106 11.835 1.00 37.18 C ATOM 1653 C SER B 54 13.679 -32.252 11.683 1.00 39.57 C ATOM 1654 O SER B 54 13.582 -31.031 11.530 1.00 39.58 O ATOM 1655 CB SER B 54 11.671 -33.150 10.507 1.00 36.25 C ATOM 1656 OG SER B 54 12.566 -33.223 9.408 1.00 38.03 O ATOM 1657 HG SER B 54 13.116 -34.042 9.486 1.00 0.00 H ATOM 1658 H SER B 54 11.349 -31.574 12.906 1.00 0.00 H ATOM 1659 N GLY B 55 14.846 -32.899 11.699 1.00 40.87 N ATOM 1660 CA GLY B 55 16.078 -32.187 11.416 1.00 41.83 C ATOM 1661 C GLY B 55 16.157 -31.701 9.984 1.00 40.87 C ATOM 1662 O GLY B 55 16.793 -30.681 9.705 1.00 40.34 O ATOM 1663 H GLY B 55 14.872 -33.916 11.915 1.00 0.00 H ATOM 1664 N LEU B 56 15.512 -32.416 9.060 1.00 41.03 N ATOM 1665 CA LEU B 56 15.463 -31.968 7.673 1.00 40.74 C ATOM 1666 C LEU B 56 14.623 -30.703 7.538 1.00 39.87 C ATOM 1667 O LEU B 56 15.090 -29.687 7.011 1.00 41.06 O ATOM 1668 CB LEU B 56 14.909 -33.077 6.776 1.00 40.87 C ATOM 1669 CG LEU B 56 14.660 -32.645 5.328 1.00 39.92 C ATOM 1670 CD1 LEU B 56 15.972 -32.416 4.601 1.00 40.58 C ATOM 1671 CD2 LEU B 56 13.806 -33.662 4.594 1.00 40.64 C ATOM 1672 H LEU B 56 15.039 -33.302 9.332 1.00 0.00 H ATOM 1673 N PHE B 57 13.373 -30.749 8.005 1.00 38.35 N ATOM 1674 CA PHE B 57 12.517 -29.570 7.932 1.00 37.32 C ATOM 1675 C PHE B 57 13.058 -28.425 8.778 1.00 38.52 C ATOM 1676 O PHE B 57 12.759 -27.258 8.500 1.00 38.89 O ATOM 1677 CB PHE B 57 11.092 -29.916 8.360 1.00 36.76 C ATOM 1678 CG PHE B 57 10.365 -30.778 7.376 1.00 36.53 C ATOM 1679 CD1 PHE B 57 10.156 -30.339 6.081 1.00 36.41 C ATOM 1680 CD2 PHE B 57 9.889 -32.023 7.740 1.00 37.28 C ATOM 1681 CE1 PHE B 57 9.488 -31.126 5.170 1.00 37.14 C ATOM 1682 CE2 PHE B 57 9.220 -32.815 6.833 1.00 38.02 C ATOM 1683 CZ PHE B 57 9.019 -32.366 5.546 1.00 38.06 C ATOM 1684 H PHE B 57 13.008 -31.629 8.422 1.00 0.00 H ATOM 1685 N TYR B 58 13.841 -28.728 9.815 1.00 39.59 N ATOM 1686 CA TYR B 58 14.504 -27.663 10.558 1.00 41.18 C ATOM 1687 C TYR B 58 15.522 -26.946 9.683 1.00 40.48 C ATOM 1688 O TYR B 58 15.509 -25.715 9.576 1.00 40.57 O ATOM 1689 CB TYR B 58 15.177 -28.224 11.808 1.00 43.51 C ATOM 1690 CG TYR B 58 15.951 -27.184 12.582 1.00 46.74 C ATOM 1691 CD1 TYR B 58 15.297 -26.283 13.414 1.00 49.08 C ATOM 1692 CD2 TYR B 58 17.332 -27.096 12.476 1.00 48.44 C ATOM 1693 CE1 TYR B 58 16.000 -25.323 14.126 1.00 52.96 C ATOM 1694 CE2 TYR B 58 18.043 -26.142 13.181 1.00 52.12 C ATOM 1695 CZ TYR B 58 17.372 -25.257 14.005 1.00 54.63 C ATOM 1696 OH TYR B 58 18.071 -24.305 14.714 1.00 58.91 O ATOM 1697 HH TYR B 58 17.438 -23.762 15.247 1.00 0.00 H ATOM 1698 H TYR B 58 13.978 -29.721 10.092 1.00 0.00 H ATOM 1699 N SER B 59 16.411 -27.707 9.042 1.00 40.01 N ATOM 1700 CA SER B 59 17.432 -27.101 8.197 1.00 40.58 C ATOM 1701 C SER B 59 16.824 -26.389 6.996 1.00 38.14 C ATOM 1702 O SER B 59 17.366 -25.378 6.539 1.00 38.69 O ATOM 1703 CB SER B 59 18.425 -28.168 7.738 1.00 42.66 C ATOM 1704 OG SER B 59 17.742 -29.270 7.169 1.00 43.24 O ATOM 1705 HG SER B 59 17.135 -29.665 7.844 1.00 0.00 H ATOM 1706 H SER B 59 16.375 -28.741 9.146 1.00 0.00 H ATOM 1707 N ILE B 60 15.706 -26.895 6.474 1.00 36.09 N ATOM 1708 CA ILE B 60 15.085 -26.276 5.308 1.00 35.81 C ATOM 1709 C ILE B 60 14.512 -24.911 5.667 1.00 37.87 C ATOM 1710 O ILE B 60 14.803 -23.901 5.012 1.00 38.33 O ATOM 1711 CB ILE B 60 14.005 -27.199 4.720 1.00 34.23 C ATOM 1712 CG1 ILE B 60 14.650 -28.414 4.059 1.00 34.09 C ATOM 1713 CG2 ILE B 60 13.152 -26.442 3.721 1.00 34.50 C ATOM 1714 CD1 ILE B 60 13.652 -29.414 3.528 1.00 34.14 C ATOM 1715 H ILE B 60 15.273 -27.738 6.902 1.00 0.00 H ATOM 1716 N PHE B 61 13.684 -24.858 6.704 1.00 39.30 N ATOM 1717 CA PHE B 61 12.975 -23.628 7.016 1.00 41.52 C ATOM 1718 C PHE B 61 13.812 -22.648 7.830 1.00 43.58 C ATOM 1719 O PHE B 61 13.443 -21.473 7.916 1.00 44.71 O ATOM 1720 CB PHE B 61 11.662 -23.966 7.728 1.00 42.02 C ATOM 1721 CG PHE B 61 10.701 -24.743 6.868 1.00 41.27 C ATOM 1722 CD1 PHE B 61 10.413 -24.319 5.575 1.00 41.19 C ATOM 1723 CD2 PHE B 61 10.118 -25.915 7.328 1.00 41.14 C ATOM 1724 CE1 PHE B 61 9.541 -25.039 4.765 1.00 40.91 C ATOM 1725 CE2 PHE B 61 9.243 -26.644 6.520 1.00 40.72 C ATOM 1726 CZ PHE B 61 8.956 -26.203 5.239 1.00 40.65 C ATOM 1727 H PHE B 61 13.542 -25.701 7.296 1.00 0.00 H ATOM 1728 N THR B 62 14.932 -23.089 8.411 1.00 44.80 N ATOM 1729 CA THR B 62 15.882 -22.141 8.989 1.00 48.02 C ATOM 1730 C THR B 62 16.582 -21.338 7.900 1.00 49.30 C ATOM 1731 O THR B 62 16.927 -20.169 8.111 1.00 52.63 O ATOM 1732 CB THR B 62 16.897 -22.884 9.864 1.00 48.79 C ATOM 1733 OG1 THR B 62 16.236 -23.380 11.031 1.00 49.50 O ATOM 1734 CG2 THR B 62 18.033 -21.972 10.298 1.00 52.50 C ATOM 1735 HG1 THR B 62 15.512 -23.999 10.761 1.00 0.00 H ATOM 1736 H THR B 62 15.128 -24.110 8.452 1.00 0.00 H ATOM 1737 N ASP B 63 16.760 -21.938 6.725 1.00 46.40 N ATOM 1738 CA ASP B 63 17.375 -21.274 5.583 1.00 46.74 C ATOM 1739 C ASP B 63 16.487 -20.130 5.094 1.00 46.43 C ATOM 1740 O ASP B 63 15.331 -20.349 4.715 1.00 45.37 O ATOM 1741 CB ASP B 63 17.606 -22.300 4.473 1.00 46.18 C ATOM 1742 CG ASP B 63 18.407 -21.751 3.307 1.00 49.04 C ATOM 1743 OD1 ASP B 63 18.768 -20.553 3.317 1.00 52.03 O ATOM 1744 OD2 ASP B 63 18.678 -22.535 2.373 1.00 48.81 O ATOM 1745 H ASP B 63 16.446 -22.924 6.617 1.00 0.00 H ATOM 1746 N GLN B 64 17.034 -18.910 5.089 1.00 47.86 N ATOM 1747 CA GLN B 64 16.282 -17.737 4.652 1.00 49.11 C ATOM 1748 C GLN B 64 15.921 -17.778 3.172 1.00 47.52 C ATOM 1749 O GLN B 64 15.073 -16.990 2.740 1.00 48.71 O ATOM 1750 CB GLN B 64 17.070 -16.455 4.951 1.00 52.97 C ATOM 1751 CG GLN B 64 17.057 -16.013 6.416 1.00 56.00 C ATOM 1752 CD GLN B 64 15.785 -15.277 6.808 1.00 58.28 C ATOM 1753 OE1 GLN B 64 14.811 -15.247 6.054 1.00 57.45 O ATOM 1754 NE2 GLN B 64 15.792 -14.673 7.992 1.00 62.01 N ATOM 1755 HE22 GLN B 64 16.636 -14.724 8.597 1.00 0.00 H ATOM 1756 HE21 GLN B 64 14.953 -14.149 8.314 1.00 0.00 H ATOM 1757 H GLN B 64 18.018 -18.794 5.404 1.00 0.00 H ATOM 1758 N LEU B 65 16.541 -18.659 2.388 1.00 45.08 N ATOM 1759 CA LEU B 65 16.147 -18.808 0.993 1.00 43.43 C ATOM 1760 C LEU B 65 14.846 -19.591 0.865 1.00 41.10 C ATOM 1761 O LEU B 65 14.018 -19.286 0.000 1.00 41.34 O ATOM 1762 CB LEU B 65 17.263 -19.493 0.204 1.00 42.27 C ATOM 1763 CG LEU B 65 16.936 -19.862 -1.244 1.00 41.19 C ATOM 1764 CD1 LEU B 65 16.886 -18.622 -2.135 1.00 42.82 C ATOM 1765 CD2 LEU B 65 17.925 -20.889 -1.778 1.00 40.64 C ATOM 1766 H LEU B 65 17.310 -19.243 2.774 1.00 0.00 H ATOM 1767 N LYS B 66 14.641 -20.593 1.723 1.00 39.30 N ATOM 1768 CA LYS B 66 13.463 -21.446 1.657 1.00 37.89 C ATOM 1769 C LYS B 66 12.451 -21.185 2.763 1.00 37.89 C ATOM 1770 O LYS B 66 11.373 -21.788 2.737 1.00 36.79 O ATOM 1771 CB LYS B 66 13.872 -22.925 1.714 1.00 37.11 C ATOM 1772 CG LYS B 66 14.987 -23.339 0.761 1.00 38.70 C ATOM 1773 CD LYS B 66 15.225 -24.845 0.857 1.00 39.20 C ATOM 1774 CE LYS B 66 16.358 -25.326 -0.044 1.00 41.04 C ATOM 1775 NZ LYS B 66 16.452 -26.824 -0.040 1.00 41.07 N ATOM 1776 HZ1 LYS B 66 16.633 -27.156 0.929 1.00 0.00 H ATOM 1777 HZ2 LYS B 66 15.558 -27.227 -0.385 1.00 0.00 H ATOM 1778 HZ3 LYS B 66 17.231 -27.123 -0.661 1.00 0.00 H ATOM 1779 H LYS B 66 15.348 -20.771 2.465 1.00 0.00 H ATOM 1780 N ARG B 67 12.763 -20.295 3.714 1.00 39.49 N ATOM 1781 CA ARG B 67 11.986 -20.159 4.947 1.00 40.90 C ATOM 1782 C ARG B 67 10.497 -19.938 4.687 1.00 41.50 C ATOM 1783 O ARG B 67 9.650 -20.468 5.416 1.00 41.44 O ATOM 1784 CB ARG B 67 12.567 -19.017 5.790 1.00 44.84 C ATOM 1785 CG ARG B 67 11.617 -18.373 6.793 1.00 48.34 C ATOM 1786 CD ARG B 67 11.848 -18.857 8.223 1.00 49.88 C ATOM 1787 NE ARG B 67 13.259 -18.834 8.613 1.00 51.23 N ATOM 1788 CZ ARG B 67 13.809 -17.928 9.417 1.00 55.24 C ATOM 1789 NH1 ARG B 67 13.071 -16.957 9.939 1.00 59.07 N ATOM 1790 NH2 ARG B 67 15.102 -17.997 9.705 1.00 56.04 N ATOM 1791 HE ARG B 67 13.876 -19.580 8.234 1.00 0.00 H ATOM 1792 HH12 ARG B 67 13.508 -16.252 10.567 1.00 0.00 H ATOM 1793 HH11 ARG B 67 12.056 -16.901 9.720 1.00 0.00 H ATOM 1794 HH22 ARG B 67 15.533 -17.289 10.333 1.00 0.00 H ATOM 1795 HH21 ARG B 67 15.684 -18.759 9.302 1.00 0.00 H ATOM 1796 H ARG B 67 13.588 -19.678 3.571 1.00 0.00 H ATOM 1797 N ASN B 68 10.154 -19.185 3.641 1.00 42.40 N ATOM 1798 CA ASN B 68 8.766 -18.827 3.379 1.00 44.22 C ATOM 1799 C ASN B 68 8.204 -19.452 2.106 1.00 43.49 C ATOM 1800 O ASN B 68 7.142 -19.026 1.645 1.00 43.74 O ATOM 1801 CB ASN B 68 8.618 -17.306 3.328 1.00 47.89 C ATOM 1802 CG ASN B 68 8.888 -16.652 4.673 1.00 50.59 C ATOM 1803 OD1 ASN B 68 10.016 -16.258 4.959 1.00 51.18 O ATOM 1804 ND2 ASN B 68 7.853 -16.546 5.512 1.00 52.48 N ATOM 1805 HD22 ASN B 68 6.915 -16.894 5.227 1.00 0.00 H ATOM 1806 HD21 ASN B 68 7.986 -16.116 6.450 1.00 0.00 H ATOM 1807 H ASN B 68 10.896 -18.845 2.996 1.00 0.00 H ATOM 1808 N LEU B 69 8.871 -20.459 1.540 1.00 39.17 N ATOM 1809 CA LEU B 69 8.319 -21.167 0.392 1.00 39.05 C ATOM 1810 C LEU B 69 6.976 -21.796 0.741 1.00 39.79 C ATOM 1811 O LEU B 69 6.723 -22.181 1.883 1.00 49.09 O ATOM 1812 CB LEU B 69 9.281 -22.252 -0.086 1.00 36.96 C ATOM 1813 CG LEU B 69 10.612 -21.792 -0.678 1.00 40.91 C ATOM 1814 CD1 LEU B 69 11.451 -22.999 -1.054 1.00 35.33 C ATOM 1815 CD2 LEU B 69 10.388 -20.879 -1.878 1.00 38.82 C ATOM 1816 H LEU B 69 9.796 -20.742 1.922 1.00 0.00 H ATOM 1817 N SER B 70 6.103 -21.895 -0.259 1.00 44.51 N ATOM 1818 CA SER B 70 4.799 -22.515 -0.059 1.00 43.02 C ATOM 1819 C SER B 70 4.828 -24.021 -0.261 1.00 47.53 C ATOM 1820 O SER B 70 4.042 -24.741 0.367 1.00 42.28 O ATOM 1821 CB SER B 70 3.768 -21.908 -1.011 1.00 46.54 C ATOM 1822 OG SER B 70 3.464 -20.569 -0.665 1.00 51.17 O ATOM 1823 HG SER B 70 2.796 -20.209 -1.300 1.00 0.00 H ATOM 1824 H SER B 70 6.355 -21.524 -1.197 1.00 0.00 H ATOM 1825 N VAL B 71 5.715 -24.509 -1.123 1.00 32.63 N ATOM 1826 CA VAL B 71 5.752 -25.910 -1.516 1.00 32.08 C ATOM 1827 C VAL B 71 7.176 -26.423 -1.369 1.00 34.04 C ATOM 1828 O VAL B 71 8.124 -25.794 -1.854 1.00 35.61 O ATOM 1829 CB VAL B 71 5.251 -26.107 -2.957 1.00 33.11 C ATOM 1830 CG1 VAL B 71 5.436 -27.557 -3.389 1.00 34.06 C ATOM 1831 CG2 VAL B 71 3.797 -25.685 -3.064 1.00 31.24 C ATOM 1832 H VAL B 71 6.415 -23.860 -1.536 1.00 0.00 H ATOM 1833 N ILE B 72 7.323 -27.556 -0.691 1.00 34.13 N ATOM 1834 CA ILE B 72 8.588 -28.268 -0.581 1.00 35.42 C ATOM 1835 C ILE B 72 8.397 -29.639 -1.211 1.00 36.13 C ATOM 1836 O ILE B 72 7.481 -30.378 -0.829 1.00 34.11 O ATOM 1837 CB ILE B 72 9.048 -28.389 0.885 1.00 33.47 C ATOM 1838 CG1 ILE B 72 9.405 -27.012 1.451 1.00 33.24 C ATOM 1839 CG2 ILE B 72 10.220 -29.349 1.006 1.00 34.43 C ATOM 1840 CD1 ILE B 72 10.489 -26.282 0.683 1.00 35.90 C ATOM 1841 H ILE B 72 6.490 -27.956 -0.213 1.00 0.00 H ATOM 1842 N ASN B 73 9.242 -29.968 -2.186 1.00 39.32 N ATOM 1843 CA ASN B 73 9.222 -31.275 -2.834 1.00 41.65 C ATOM 1844 C ASN B 73 10.325 -32.149 -2.249 1.00 42.13 C ATOM 1845 O ASN B 73 11.501 -31.770 -2.267 1.00 43.70 O ATOM 1846 CB ASN B 73 9.392 -31.145 -4.346 1.00 45.56 C ATOM 1847 CG ASN B 73 8.145 -30.637 -5.023 1.00 46.68 C ATOM 1848 OD1 ASN B 73 7.174 -31.371 -5.188 1.00 47.25 O ATOM 1849 ND2 ASN B 73 8.164 -29.374 -5.424 1.00 47.84 N ATOM 1850 HD22 ASN B 73 9.009 -28.790 -5.263 1.00 0.00 H ATOM 1851 HD21 ASN B 73 7.334 -28.967 -5.900 1.00 0.00 H ATOM 1852 H ASN B 73 9.943 -29.266 -2.498 1.00 0.00 H ATOM 1853 N LEU B 74 9.946 -33.313 -1.740 1.00 41.32 N ATOM 1854 CA LEU B 74 10.913 -34.243 -1.185 1.00 42.43 C ATOM 1855 C LEU B 74 11.475 -35.141 -2.280 1.00 46.96 C ATOM 1856 O LEU B 74 10.909 -35.264 -3.368 1.00 48.89 O ATOM 1857 CB LEU B 74 10.279 -35.092 -0.082 1.00 40.63 C ATOM 1858 CG LEU B 74 9.742 -34.310 1.119 1.00 37.55 C ATOM 1859 CD1 LEU B 74 9.257 -35.255 2.209 1.00 36.68 C ATOM 1860 CD2 LEU B 74 10.800 -33.349 1.647 1.00 37.18 C ATOM 1861 H LEU B 74 8.937 -33.565 -1.738 1.00 0.00 H ATOM 1862 N ASP B 75 12.613 -35.754 -1.976 1.00 49.06 N ATOM 1863 CA ASP B 75 13.223 -36.722 -2.873 1.00 53.75 C ATOM 1864 C ASP B 75 12.173 -37.740 -3.320 1.00 54.77 C ATOM 1865 O ASP B 75 11.451 -38.288 -2.476 1.00 52.06 O ATOM 1866 CB ASP B 75 14.385 -37.407 -2.149 1.00 54.70 C ATOM 1867 CG ASP B 75 15.014 -38.530 -2.948 1.00 59.39 C ATOM 1868 OD1 ASP B 75 14.902 -38.544 -4.189 1.00 62.30 O ATOM 1869 OD2 ASP B 75 15.637 -39.410 -2.317 1.00 60.57 O ATOM 1870 H ASP B 75 13.080 -35.536 -1.073 1.00 0.00 H ATOM 1871 N PRO B 76 12.021 -37.981 -4.629 1.00 59.51 N ATOM 1872 CA PRO B 76 11.004 -38.942 -5.092 1.00 61.44 C ATOM 1873 C PRO B 76 11.267 -40.375 -4.673 1.00 64.40 C ATOM 1874 O PRO B 76 10.400 -41.230 -4.896 1.00 64.98 O ATOM 1875 CB PRO B 76 11.053 -38.799 -6.619 1.00 65.16 C ATOM 1876 CG PRO B 76 12.390 -38.196 -6.906 1.00 66.22 C ATOM 1877 CD PRO B 76 12.658 -37.277 -5.754 1.00 61.93 C ATOM 1878 N GLU B 77 12.426 -40.670 -4.085 1.00 66.10 N ATOM 1879 CA GLU B 77 12.669 -41.986 -3.513 1.00 69.01 C ATOM 1880 C GLU B 77 11.833 -42.249 -2.270 1.00 66.41 C ATOM 1881 O GLU B 77 11.736 -43.406 -1.847 1.00 68.30 O ATOM 1882 CB GLU B 77 14.151 -42.142 -3.167 1.00 71.02 C ATOM 1883 CG GLU B 77 15.070 -42.285 -4.369 1.00 76.77 C ATOM 1884 CD GLU B 77 15.215 -43.729 -4.825 1.00 83.61 C ATOM 1885 OE1 GLU B 77 15.421 -43.955 -6.038 1.00 88.20 O ATOM 1886 OE2 GLU B 77 15.126 -44.639 -3.969 1.00 85.35 O ATOM 1887 H GLU B 77 13.171 -39.946 -4.034 1.00 0.00 H ATOM 1888 N ILE B 78 11.230 -41.219 -1.680 1.00 63.60 N ATOM 1889 CA ILE B 78 10.568 -41.354 -0.386 1.00 62.89 C ATOM 1890 C ILE B 78 9.152 -41.883 -0.586 1.00 66.59 C ATOM 1891 O ILE B 78 8.423 -41.426 -1.474 1.00 66.42 O ATOM 1892 CB ILE B 78 10.568 -40.015 0.373 1.00 58.56 C ATOM 1893 CG1 ILE B 78 11.879 -39.822 1.137 1.00 57.37 C ATOM 1894 CG2 ILE B 78 9.440 -39.968 1.380 1.00 56.11 C ATOM 1895 CD1 ILE B 78 13.106 -39.691 0.275 1.00 59.71 C ATOM 1896 H ILE B 78 11.231 -40.293 -2.154 1.00 0.00 H ATOM 1897 N ASN B 79 8.768 -42.854 0.240 1.00 70.21 N ATOM 1898 CA ASN B 79 7.438 -43.444 0.175 1.00 73.96 C ATOM 1899 C ASN B 79 6.404 -42.462 0.730 1.00 70.27 C ATOM 1900 O ASN B 79 6.638 -41.838 1.767 1.00 66.79 O ATOM 1901 CB ASN B 79 7.424 -44.751 0.979 1.00 78.28 C ATOM 1902 CG ASN B 79 6.073 -45.451 0.966 1.00 81.09 C ATOM 1903 OD1 ASN B 79 5.152 -45.062 1.687 1.00 80.60 O ATOM 1904 ND2 ASN B 79 5.957 -46.502 0.163 1.00 84.01 N ATOM 1905 HD22 ASN B 79 6.760 -46.796 -0.429 1.00 0.00 H ATOM 1906 HD21 ASN B 79 5.063 -47.032 0.126 1.00 0.00 H ATOM 1907 H ASN B 79 9.439 -43.202 0.954 1.00 0.00 H ATOM 1908 N PRO B 80 5.261 -42.297 0.061 1.00 84.14 N ATOM 1909 CA PRO B 80 4.223 -41.397 0.586 1.00 79.80 C ATOM 1910 C PRO B 80 3.536 -41.958 1.822 1.00 74.15 C ATOM 1911 O PRO B 80 3.386 -41.254 2.827 1.00 68.75 O ATOM 1912 CB PRO B 80 3.241 -41.268 -0.587 1.00 86.02 C ATOM 1913 CG PRO B 80 3.997 -41.718 -1.788 1.00 91.12 C ATOM 1914 CD PRO B 80 4.943 -42.769 -1.292 1.00 91.09 C ATOM 1915 N GLU B 81 3.097 -43.219 1.748 1.00 72.90 N ATOM 1916 CA GLU B 81 2.466 -43.865 2.898 1.00 70.25 C ATOM 1917 C GLU B 81 3.386 -43.846 4.112 1.00 62.34 C ATOM 1918 O GLU B 81 2.929 -43.657 5.245 1.00 58.82 O ATOM 1919 CB GLU B 81 2.072 -45.299 2.538 1.00 76.29 C ATOM 1920 CG GLU B 81 1.965 -46.253 3.726 1.00 76.76 C ATOM 1921 CD GLU B 81 1.644 -47.683 3.308 1.00 83.35 C ATOM 1922 OE1 GLU B 81 0.872 -47.863 2.342 1.00 88.58 O ATOM 1923 OE2 GLU B 81 2.168 -48.626 3.941 1.00 83.86 O ATOM 1924 H GLU B 81 3.206 -43.748 0.859 1.00 0.00 H ATOM 1925 N GLY B 82 4.688 -44.029 3.891 1.00 60.42 N ATOM 1926 CA GLY B 82 5.634 -43.933 4.989 1.00 55.20 C ATOM 1927 C GLY B 82 5.702 -42.535 5.568 1.00 50.18 C ATOM 1928 O GLY B 82 5.646 -42.351 6.786 1.00 48.22 O ATOM 1929 H GLY B 82 5.027 -44.241 2.931 1.00 0.00 H ATOM 1930 N PHE B 83 5.812 -41.526 4.699 1.00 48.95 N ATOM 1931 CA PHE B 83 5.849 -40.146 5.175 1.00 44.49 C ATOM 1932 C PHE B 83 4.557 -39.774 5.890 1.00 41.75 C ATOM 1933 O PHE B 83 4.583 -39.070 6.907 1.00 37.94 O ATOM 1934 CB PHE B 83 6.108 -39.182 4.017 1.00 44.58 C ATOM 1935 CG PHE B 83 6.042 -37.737 4.418 1.00 40.88 C ATOM 1936 CD1 PHE B 83 7.153 -37.099 4.936 1.00 38.87 C ATOM 1937 CD2 PHE B 83 4.862 -37.020 4.290 1.00 40.01 C ATOM 1938 CE1 PHE B 83 7.090 -35.771 5.316 1.00 36.55 C ATOM 1939 CE2 PHE B 83 4.795 -35.698 4.667 1.00 37.68 C ATOM 1940 CZ PHE B 83 5.909 -35.072 5.181 1.00 36.01 C ATOM 1941 H PHE B 83 5.871 -41.724 3.680 1.00 0.00 H ATOM 1942 N ASN B 84 3.414 -40.223 5.361 1.00 43.70 N ATOM 1943 CA ASN B 84 2.143 -39.998 6.040 1.00 42.20 C ATOM 1944 C ASN B 84 2.166 -40.553 7.460 1.00 40.57 C ATOM 1945 O ASN B 84 1.533 -39.984 8.356 1.00 38.83 O ATOM 1946 CB ASN B 84 1.003 -40.621 5.229 1.00 46.34 C ATOM 1947 CG ASN B 84 -0.359 -40.378 5.849 1.00 46.95 C ATOM 1948 OD1 ASN B 84 -0.897 -39.274 5.777 1.00 46.50 O ATOM 1949 ND2 ASN B 84 -0.926 -41.412 6.458 1.00 48.53 N ATOM 1950 HD22 ASN B 84 -0.434 -42.328 6.495 1.00 0.00 H ATOM 1951 HD21 ASN B 84 -1.862 -41.307 6.899 1.00 0.00 H ATOM 1952 H ASN B 84 3.431 -40.737 4.457 1.00 0.00 H ATOM 1953 N ILE B 85 2.897 -41.652 7.681 1.00 41.34 N ATOM 1954 CA ILE B 85 3.008 -42.240 9.012 1.00 41.13 C ATOM 1955 C ILE B 85 3.880 -41.371 9.912 1.00 38.23 C ATOM 1956 O ILE B 85 3.586 -41.197 11.101 1.00 32.62 O ATOM 1957 CB ILE B 85 3.549 -43.679 8.911 1.00 44.14 C ATOM 1958 CG1 ILE B 85 2.482 -44.627 8.358 1.00 44.27 C ATOM 1959 CG2 ILE B 85 4.026 -44.168 10.259 1.00 43.79 C ATOM 1960 CD1 ILE B 85 3.013 -45.999 8.033 1.00 48.00 C ATOM 1961 H ILE B 85 3.398 -42.097 6.886 1.00 0.00 H ATOM 1962 N LEU B 86 4.967 -40.815 9.365 1.00 38.01 N ATOM 1963 CA LEU B 86 5.823 -39.935 10.157 1.00 35.93 C ATOM 1964 C LEU B 86 5.124 -38.619 10.467 1.00 34.41 C ATOM 1965 O LEU B 86 5.232 -38.097 11.584 1.00 32.29 O ATOM 1966 CB LEU B 86 7.139 -39.673 9.431 1.00 36.68 C ATOM 1967 CG LEU B 86 8.258 -40.708 9.570 1.00 39.48 C ATOM 1968 CD1 LEU B 86 8.330 -41.278 10.991 1.00 38.76 C ATOM 1969 CD2 LEU B 86 8.152 -41.816 8.535 1.00 43.09 C ATOM 1970 H LEU B 86 5.204 -41.010 8.371 1.00 0.00 H ATOM 1971 N LEU B 87 4.413 -38.063 9.486 1.00 35.60 N ATOM 1972 CA LEU B 87 3.665 -36.833 9.715 1.00 34.63 C ATOM 1973 C LEU B 87 2.615 -37.032 10.800 1.00 36.02 C ATOM 1974 O LEU B 87 2.482 -36.208 11.713 1.00 35.54 O ATOM 1975 CB LEU B 87 3.018 -36.376 8.413 1.00 34.99 C ATOM 1976 CG LEU B 87 2.173 -35.112 8.496 1.00 34.07 C ATOM 1977 CD1 LEU B 87 3.043 -33.919 8.870 1.00 32.78 C ATOM 1978 CD2 LEU B 87 1.449 -34.872 7.184 1.00 36.20 C ATOM 1979 H LEU B 87 4.392 -38.511 8.548 1.00 0.00 H ATOM 1980 N ASP B 88 1.860 -38.131 10.718 1.00 38.42 N ATOM 1981 CA ASP B 88 0.887 -38.444 11.760 1.00 39.32 C ATOM 1982 C ASP B 88 1.557 -38.549 13.125 1.00 38.28 C ATOM 1983 O ASP B 88 1.034 -38.032 14.119 1.00 38.39 O ATOM 1984 CB ASP B 88 0.149 -39.741 11.427 1.00 42.52 C ATOM 1985 CG ASP B 88 -1.033 -39.520 10.505 1.00 45.28 C ATOM 1986 OD1 ASP B 88 -1.375 -38.348 10.236 1.00 44.51 O ATOM 1987 OD2 ASP B 88 -1.623 -40.525 10.055 1.00 48.58 O ATOM 1988 H ASP B 88 1.966 -38.770 9.904 1.00 0.00 H ATOM 1989 N PHE B 89 2.718 -39.208 13.191 1.00 37.66 N ATOM 1990 CA PHE B 89 3.436 -39.317 14.458 1.00 36.42 C ATOM 1991 C PHE B 89 3.831 -37.946 14.985 1.00 35.33 C ATOM 1992 O PHE B 89 3.820 -37.717 16.203 1.00 35.55 O ATOM 1993 CB PHE B 89 4.677 -40.199 14.300 1.00 37.35 C ATOM 1994 CG PHE B 89 5.755 -39.911 15.314 1.00 37.96 C ATOM 1995 CD1 PHE B 89 6.868 -39.157 14.972 1.00 38.06 C ATOM 1996 CD2 PHE B 89 5.647 -40.378 16.614 1.00 39.31 C ATOM 1997 CE1 PHE B 89 7.855 -38.877 15.903 1.00 39.47 C ATOM 1998 CE2 PHE B 89 6.634 -40.103 17.551 1.00 40.43 C ATOM 1999 CZ PHE B 89 7.739 -39.353 17.193 1.00 40.80 C ATOM 2000 H PHE B 89 3.113 -39.646 12.334 1.00 0.00 H ATOM 2001 N MET B 90 4.191 -37.024 14.083 1.00 34.23 N ATOM 2002 CA MET B 90 4.563 -35.674 14.498 1.00 32.98 C ATOM 2003 C MET B 90 3.439 -35.014 15.286 1.00 31.51 C ATOM 2004 O MET B 90 3.671 -34.436 16.351 1.00 33.42 O ATOM 2005 CB MET B 90 4.926 -34.822 13.279 1.00 33.69 C ATOM 2006 CG MET B 90 6.164 -35.264 12.511 1.00 35.00 C ATOM 2007 SD MET B 90 6.580 -34.083 11.204 1.00 36.17 S ATOM 2008 CE MET B 90 7.859 -34.964 10.304 1.00 37.45 C ATOM 2009 H MET B 90 4.206 -37.273 13.073 1.00 0.00 H ATOM 2010 N TYR B 91 2.211 -35.111 14.788 1.00 39.85 N ATOM 2011 CA TYR B 91 1.073 -34.430 15.389 1.00 38.40 C ATOM 2012 C TYR B 91 0.393 -35.229 16.495 1.00 38.48 C ATOM 2013 O TYR B 91 -0.585 -34.738 17.072 1.00 40.85 O ATOM 2014 CB TYR B 91 0.044 -34.081 14.307 1.00 40.46 C ATOM 2015 CG TYR B 91 0.376 -32.839 13.511 1.00 41.84 C ATOM 2016 CD1 TYR B 91 1.300 -32.878 12.477 1.00 41.59 C ATOM 2017 CD2 TYR B 91 -0.242 -31.627 13.792 1.00 45.23 C ATOM 2018 CE1 TYR B 91 1.603 -31.744 11.749 1.00 42.39 C ATOM 2019 CE2 TYR B 91 0.052 -30.488 13.068 1.00 46.34 C ATOM 2020 CZ TYR B 91 0.976 -30.551 12.050 1.00 45.12 C ATOM 2021 OH TYR B 91 1.269 -29.414 11.332 1.00 47.10 O ATOM 2022 HH TYR B 91 0.446 -29.079 10.896 1.00 0.00 H ATOM 2023 H TYR B 91 2.057 -35.693 13.940 1.00 0.00 H ATOM 2024 N THR B 92 0.870 -36.442 16.804 1.00 43.08 N ATOM 2025 CA THR B 92 0.171 -37.313 17.752 1.00 43.45 C ATOM 2026 C THR B 92 1.056 -38.003 18.779 1.00 41.47 C ATOM 2027 O THR B 92 0.522 -38.447 19.800 1.00 42.05 O ATOM 2028 CB THR B 92 -0.619 -38.406 17.015 1.00 36.93 C ATOM 2029 OG1 THR B 92 0.291 -39.303 16.367 1.00 34.66 O ATOM 2030 CG2 THR B 92 -1.579 -37.808 15.994 1.00 39.00 C ATOM 2031 HG1 THR B 92 0.842 -38.799 15.717 1.00 0.00 H ATOM 2032 H THR B 92 1.752 -36.771 16.363 1.00 0.00 H ATOM 2033 N SER B 93 2.364 -38.136 18.553 1.00 40.33 N ATOM 2034 CA SER B 93 3.311 -38.926 19.343 1.00 39.42 C ATOM 2035 C SER B 93 3.129 -40.433 19.162 1.00 39.33 C ATOM 2036 O SER B 93 3.808 -41.208 19.850 1.00 37.51 O ATOM 2037 CB SER B 93 3.254 -38.619 20.849 1.00 40.10 C ATOM 2038 OG SER B 93 3.464 -37.246 21.127 1.00 41.60 O ATOM 2039 HG SER B 93 3.418 -37.098 22.105 1.00 0.00 H ATOM 2040 H SER B 93 2.750 -37.627 17.733 1.00 0.00 H ATOM 2041 N ARG B 94 2.252 -40.879 18.265 1.00 41.22 N ATOM 2042 CA ARG B 94 1.977 -42.296 18.061 1.00 41.98 C ATOM 2043 C ARG B 94 2.444 -42.712 16.674 1.00 40.41 C ATOM 2044 O ARG B 94 2.078 -42.083 15.676 1.00 41.21 O ATOM 2045 CB ARG B 94 0.485 -42.594 18.220 1.00 45.76 C ATOM 2046 CG ARG B 94 -0.062 -42.430 19.627 1.00 48.80 C ATOM 2047 CD ARG B 94 -1.513 -41.993 19.576 1.00 53.96 C ATOM 2048 NE ARG B 94 -2.244 -42.691 18.522 1.00 57.48 N ATOM 2049 CZ ARG B 94 -3.310 -42.198 17.895 1.00 61.81 C ATOM 2050 NH1 ARG B 94 -3.773 -40.994 18.211 1.00 64.02 N ATOM 2051 NH2 ARG B 94 -3.909 -42.907 16.943 1.00 63.37 N ATOM 2052 HE ARG B 94 -1.910 -43.635 18.243 1.00 0.00 H ATOM 2053 HH12 ARG B 94 -4.606 -40.612 17.719 1.00 0.00 H ATOM 2054 HH11 ARG B 94 -3.303 -40.433 18.950 1.00 0.00 H ATOM 2055 HH22 ARG B 94 -4.742 -42.521 16.454 1.00 0.00 H ATOM 2056 HH21 ARG B 94 -3.545 -43.847 16.688 1.00 0.00 H ATOM 2057 H ARG B 94 1.740 -40.185 17.684 1.00 0.00 H ATOM 2058 N LEU B 95 3.239 -43.775 16.614 1.00 38.83 N ATOM 2059 CA LEU B 95 3.780 -44.293 15.364 1.00 38.93 C ATOM 2060 C LEU B 95 3.051 -45.577 14.991 1.00 41.02 C ATOM 2061 O LEU B 95 2.955 -46.498 15.805 1.00 42.54 O ATOM 2062 CB LEU B 95 5.283 -44.551 15.493 1.00 37.20 C ATOM 2063 CG LEU B 95 6.093 -44.693 14.202 1.00 36.89 C ATOM 2064 CD1 LEU B 95 6.058 -43.408 13.396 1.00 36.94 C ATOM 2065 CD2 LEU B 95 7.524 -45.079 14.519 1.00 36.75 C ATOM 2066 H LEU B 95 3.487 -44.260 17.500 1.00 0.00 H ATOM 2067 N ASN B 96 2.531 -45.640 13.767 1.00 41.88 N ATOM 2068 CA ASN B 96 1.850 -46.846 13.292 1.00 43.46 C ATOM 2069 C ASN B 96 2.883 -47.805 12.700 1.00 43.56 C ATOM 2070 O ASN B 96 2.919 -48.094 11.502 1.00 43.95 O ATOM 2071 CB ASN B 96 0.765 -46.485 12.287 1.00 45.18 C ATOM 2072 CG ASN B 96 -0.009 -47.694 11.806 1.00 46.10 C ATOM 2073 OD1 ASN B 96 -0.003 -48.740 12.448 1.00 46.44 O ATOM 2074 ND2 ASN B 96 -0.678 -47.556 10.666 1.00 47.06 N ATOM 2075 HD22 ASN B 96 -0.654 -46.650 10.156 1.00 0.00 H ATOM 2076 HD21 ASN B 96 -1.225 -48.354 10.284 1.00 0.00 H ATOM 2077 H ASN B 96 2.610 -44.817 13.136 1.00 0.00 H ATOM 2078 N LEU B 97 3.742 -48.301 13.583 1.00 43.56 N ATOM 2079 CA LEU B 97 4.849 -49.158 13.181 1.00 44.35 C ATOM 2080 C LEU B 97 4.368 -50.597 13.034 1.00 43.73 C ATOM 2081 O LEU B 97 3.846 -51.183 13.989 1.00 44.73 O ATOM 2082 CB LEU B 97 5.971 -49.061 14.209 1.00 46.25 C ATOM 2083 CG LEU B 97 7.295 -49.718 13.840 1.00 49.75 C ATOM 2084 CD1 LEU B 97 8.372 -48.665 13.694 1.00 49.92 C ATOM 2085 CD2 LEU B 97 7.677 -50.732 14.897 1.00 52.23 C ATOM 2086 H LEU B 97 3.621 -48.071 14.590 1.00 0.00 H ATOM 2087 N ARG B 98 4.545 -51.170 11.846 1.00 41.61 N ATOM 2088 CA ARG B 98 4.097 -52.524 11.556 1.00 40.31 C ATOM 2089 C ARG B 98 5.192 -53.278 10.820 1.00 41.34 C ATOM 2090 O ARG B 98 6.152 -52.691 10.315 1.00 42.21 O ATOM 2091 CB ARG B 98 2.806 -52.524 10.729 1.00 39.69 C ATOM 2092 CG ARG B 98 1.659 -51.827 11.423 1.00 38.86 C ATOM 2093 CD ARG B 98 0.340 -52.066 10.730 1.00 40.16 C ATOM 2094 NE ARG B 98 -0.743 -51.380 11.425 1.00 39.67 N ATOM 2095 CZ ARG B 98 -2.022 -51.726 11.335 1.00 41.44 C ATOM 2096 NH1 ARG B 98 -2.377 -52.761 10.583 1.00 42.82 N ATOM 2097 NH2 ARG B 98 -2.943 -51.047 12.005 1.00 42.03 N ATOM 2098 HE ARG B 98 -0.499 -50.569 12.029 1.00 0.00 H ATOM 2099 HH12 ARG B 98 -3.378 -53.033 10.512 1.00 0.00 H ATOM 2100 HH11 ARG B 98 -1.654 -53.300 10.065 1.00 0.00 H ATOM 2101 HH22 ARG B 98 -3.944 -51.319 11.934 1.00 0.00 H ATOM 2102 HH21 ARG B 98 -2.664 -50.242 12.602 1.00 0.00 H ATOM 2103 H ARG B 98 5.022 -50.630 11.096 1.00 0.00 H ATOM 2104 N VAL B 99 5.035 -54.602 10.765 1.00 41.96 N ATOM 2105 CA VAL B 99 6.008 -55.436 10.067 1.00 43.21 C ATOM 2106 C VAL B 99 6.098 -55.036 8.601 1.00 44.12 C ATOM 2107 O VAL B 99 7.191 -54.960 8.026 1.00 45.93 O ATOM 2108 CB VAL B 99 5.646 -56.924 10.225 1.00 44.44 C ATOM 2109 CG1 VAL B 99 6.658 -57.795 9.497 1.00 46.03 C ATOM 2110 CG2 VAL B 99 5.579 -57.292 11.695 1.00 43.72 C ATOM 2111 H VAL B 99 4.212 -55.043 11.223 1.00 0.00 H ATOM 2112 N GLY B 100 4.956 -54.760 7.979 1.00 43.42 N ATOM 2113 CA GLY B 100 4.901 -54.390 6.582 1.00 41.21 C ATOM 2114 C GLY B 100 5.259 -52.962 6.250 1.00 39.96 C ATOM 2115 O GLY B 100 5.199 -52.588 5.076 1.00 41.07 O ATOM 2116 H GLY B 100 4.068 -54.812 8.518 1.00 0.00 H ATOM 2117 N ASN B 101 5.630 -52.136 7.229 1.00 38.44 N ATOM 2118 CA ASN B 101 6.024 -50.769 6.914 1.00 37.16 C ATOM 2119 C ASN B 101 7.242 -50.274 7.680 1.00 36.34 C ATOM 2120 O ASN B 101 7.647 -49.127 7.467 1.00 35.92 O ATOM 2121 CB ASN B 101 4.848 -49.797 7.141 1.00 35.94 C ATOM 2122 CG ASN B 101 4.406 -49.714 8.599 1.00 34.41 C ATOM 2123 OD1 ASN B 101 5.191 -49.911 9.527 1.00 33.68 O ATOM 2124 ND2 ASN B 101 3.132 -49.400 8.800 1.00 35.35 N ATOM 2125 HD22 ASN B 101 2.501 -49.241 7.988 1.00 0.00 H ATOM 2126 HD21 ASN B 101 2.765 -49.313 9.769 1.00 0.00 H ATOM 2127 H ASN B 101 5.638 -52.467 8.215 1.00 0.00 H ATOM 2128 N ILE B 102 7.843 -51.090 8.549 1.00 50.35 N ATOM 2129 CA ILE B 102 8.909 -50.589 9.412 1.00 48.37 C ATOM 2130 C ILE B 102 10.126 -50.172 8.590 1.00 49.03 C ATOM 2131 O ILE B 102 10.757 -49.144 8.871 1.00 46.13 O ATOM 2132 CB ILE B 102 9.261 -51.636 10.485 1.00 51.21 C ATOM 2133 CG1 ILE B 102 10.374 -51.119 11.399 1.00 49.68 C ATOM 2134 CG2 ILE B 102 9.630 -52.978 9.851 1.00 56.64 C ATOM 2135 CD1 ILE B 102 10.689 -52.048 12.547 1.00 52.61 C ATOM 2136 H ILE B 102 7.551 -52.086 8.612 1.00 0.00 H ATOM 2137 N MET B 103 10.465 -50.946 7.555 1.00 53.05 N ATOM 2138 CA MET B 103 11.583 -50.582 6.692 1.00 54.24 C ATOM 2139 C MET B 103 11.324 -49.256 5.991 1.00 52.92 C ATOM 2140 O MET B 103 12.216 -48.403 5.909 1.00 49.23 O ATOM 2141 CB MET B 103 11.831 -51.689 5.671 1.00 60.10 C ATOM 2142 CG MET B 103 12.037 -53.050 6.294 1.00 66.99 C ATOM 2143 SD MET B 103 13.378 -53.040 7.500 1.00 67.00 S ATOM 2144 CE MET B 103 14.767 -52.601 6.460 1.00 66.57 C ATOM 2145 H MET B 103 9.927 -51.815 7.363 1.00 0.00 H ATOM 2146 N ALA B 104 10.107 -49.063 5.481 1.00 51.66 N ATOM 2147 CA ALA B 104 9.771 -47.800 4.839 1.00 48.87 C ATOM 2148 C ALA B 104 9.723 -46.664 5.855 1.00 45.18 C ATOM 2149 O ALA B 104 10.143 -45.538 5.558 1.00 43.93 O ATOM 2150 CB ALA B 104 8.440 -47.927 4.100 1.00 49.53 C ATOM 2151 H ALA B 104 9.395 -49.818 5.542 1.00 0.00 H ATOM 2152 N VAL B 105 9.223 -46.941 7.061 1.00 43.76 N ATOM 2153 CA VAL B 105 9.149 -45.903 8.085 1.00 40.41 C ATOM 2154 C VAL B 105 10.547 -45.499 8.539 1.00 41.83 C ATOM 2155 O VAL B 105 10.852 -44.306 8.664 1.00 39.66 O ATOM 2156 CB VAL B 105 8.272 -46.377 9.261 1.00 39.34 C ATOM 2157 CG1 VAL B 105 8.498 -45.512 10.492 1.00 35.97 C ATOM 2158 CG2 VAL B 105 6.801 -46.360 8.863 1.00 38.96 C ATOM 2159 H VAL B 105 8.884 -47.901 7.272 1.00 0.00 H ATOM 2160 N MET B 106 11.425 -46.480 8.771 1.00 45.85 N ATOM 2161 CA MET B 106 12.781 -46.177 9.219 1.00 46.98 C ATOM 2162 C MET B 106 13.547 -45.383 8.167 1.00 46.89 C ATOM 2163 O MET B 106 14.226 -44.401 8.488 1.00 45.05 O ATOM 2164 CB MET B 106 13.520 -47.471 9.565 1.00 51.28 C ATOM 2165 CG MET B 106 14.988 -47.274 9.929 1.00 53.35 C ATOM 2166 SD MET B 106 15.804 -48.833 10.345 1.00 59.47 S ATOM 2167 CE MET B 106 17.528 -48.359 10.230 1.00 62.25 C ATOM 2168 H MET B 106 11.139 -47.470 8.631 1.00 0.00 H ATOM 2169 N ALA B 107 13.450 -45.798 6.900 1.00 49.43 N ATOM 2170 CA ALA B 107 14.138 -45.086 5.825 1.00 50.00 C ATOM 2171 C ALA B 107 13.651 -43.647 5.722 1.00 46.06 C ATOM 2172 O ALA B 107 14.449 -42.713 5.591 1.00 45.34 O ATOM 2173 CB ALA B 107 13.936 -45.814 4.496 1.00 52.31 C ATOM 2174 H ALA B 107 12.878 -46.637 6.677 1.00 0.00 H ATOM 2175 N THR B 108 12.334 -43.452 5.771 1.00 43.94 N ATOM 2176 CA THR B 108 11.791 -42.101 5.736 1.00 41.28 C ATOM 2177 C THR B 108 12.220 -41.307 6.967 1.00 38.58 C ATOM 2178 O THR B 108 12.480 -40.100 6.880 1.00 37.25 O ATOM 2179 CB THR B 108 10.267 -42.164 5.626 1.00 40.71 C ATOM 2180 OG1 THR B 108 9.894 -43.248 4.763 1.00 42.92 O ATOM 2181 CG2 THR B 108 9.715 -40.859 5.065 1.00 39.47 C ATOM 2182 HG1 THR B 108 10.234 -44.099 5.138 1.00 0.00 H ATOM 2183 H THR B 108 11.691 -44.267 5.834 1.00 0.00 H ATOM 2184 N ALA B 109 12.319 -41.972 8.119 1.00 38.03 N ATOM 2185 CA ALA B 109 12.771 -41.293 9.329 1.00 36.48 C ATOM 2186 C ALA B 109 14.217 -40.827 9.197 1.00 38.12 C ATOM 2187 O ALA B 109 14.564 -39.721 9.628 1.00 38.14 O ATOM 2188 CB ALA B 109 12.608 -42.215 10.538 1.00 36.24 C ATOM 2189 H ALA B 109 12.072 -42.982 8.155 1.00 0.00 H ATOM 2190 N MET B 110 15.079 -41.658 8.610 1.00 39.97 N ATOM 2191 CA MET B 110 16.454 -41.234 8.380 1.00 41.89 C ATOM 2192 C MET B 110 16.503 -40.016 7.470 1.00 40.07 C ATOM 2193 O MET B 110 17.269 -39.078 7.717 1.00 40.82 O ATOM 2194 CB MET B 110 17.269 -42.380 7.780 1.00 46.33 C ATOM 2195 CG MET B 110 17.476 -43.569 8.703 1.00 48.89 C ATOM 2196 SD MET B 110 18.320 -44.936 7.880 1.00 54.99 S ATOM 2197 CE MET B 110 19.840 -44.145 7.357 1.00 58.14 C ATOM 2198 H MET B 110 14.770 -42.607 8.317 1.00 0.00 H ATOM 2199 N TYR B 111 15.676 -40.007 6.420 1.00 38.35 N ATOM 2200 CA TYR B 111 15.676 -38.898 5.469 1.00 37.48 C ATOM 2201 C TYR B 111 15.237 -37.596 6.130 1.00 35.58 C ATOM 2202 O TYR B 111 15.863 -36.547 5.937 1.00 35.58 O ATOM 2203 CB TYR B 111 14.770 -39.226 4.284 1.00 36.52 C ATOM 2204 CG TYR B 111 14.566 -38.073 3.327 1.00 35.79 C ATOM 2205 CD1 TYR B 111 15.584 -37.660 2.480 1.00 38.73 C ATOM 2206 CD2 TYR B 111 13.350 -37.405 3.260 1.00 33.32 C ATOM 2207 CE1 TYR B 111 15.400 -36.607 1.597 1.00 38.63 C ATOM 2208 CE2 TYR B 111 13.155 -36.352 2.379 1.00 33.26 C ATOM 2209 CZ TYR B 111 14.184 -35.958 1.552 1.00 35.60 C ATOM 2210 OH TYR B 111 13.999 -34.914 0.674 1.00 35.90 O ATOM 2211 HH TYR B 111 14.832 -34.765 0.161 1.00 0.00 H ATOM 2212 H TYR B 111 15.022 -40.803 6.278 1.00 0.00 H ATOM 2213 N LEU B 112 14.150 -37.643 6.906 1.00 34.18 N ATOM 2214 CA LEU B 112 13.678 -36.468 7.632 1.00 33.91 C ATOM 2215 C LEU B 112 14.563 -36.103 8.819 1.00 35.49 C ATOM 2216 O LEU B 112 14.262 -35.118 9.504 1.00 34.97 O ATOM 2217 CB LEU B 112 12.244 -36.690 8.115 1.00 31.92 C ATOM 2218 CG LEU B 112 11.209 -37.018 7.040 1.00 30.91 C ATOM 2219 CD1 LEU B 112 9.848 -37.261 7.685 1.00 29.24 C ATOM 2220 CD2 LEU B 112 11.137 -35.909 5.991 1.00 29.99 C ATOM 2221 H LEU B 112 13.628 -38.538 6.995 1.00 0.00 H ATOM 2222 N GLN B 113 15.633 -36.859 9.070 1.00 38.32 N ATOM 2223 CA GLN B 113 16.535 -36.634 10.200 1.00 41.73 C ATOM 2224 C GLN B 113 15.762 -36.624 11.519 1.00 41.81 C ATOM 2225 O GLN B 113 15.738 -35.638 12.257 1.00 42.59 O ATOM 2226 CB GLN B 113 17.335 -35.341 10.023 1.00 43.56 C ATOM 2227 CG GLN B 113 18.100 -35.261 8.724 1.00 45.39 C ATOM 2228 CD GLN B 113 18.761 -33.914 8.531 1.00 47.85 C ATOM 2229 OE1 GLN B 113 19.436 -33.407 9.427 1.00 50.87 O ATOM 2230 NE2 GLN B 113 18.559 -33.318 7.361 1.00 47.10 N ATOM 2231 HE22 GLN B 113 17.981 -33.784 6.633 1.00 0.00 H ATOM 2232 HE21 GLN B 113 18.979 -32.385 7.173 1.00 0.00 H ATOM 2233 H GLN B 113 15.837 -37.651 8.428 1.00 0.00 H ATOM 2234 N MET B 114 15.115 -37.751 11.796 1.00 41.76 N ATOM 2235 CA MET B 114 14.349 -37.959 13.020 1.00 42.33 C ATOM 2236 C MET B 114 15.038 -39.091 13.771 1.00 46.02 C ATOM 2237 O MET B 114 14.671 -40.259 13.629 1.00 45.70 O ATOM 2238 CB MET B 114 12.898 -38.266 12.706 1.00 39.47 C ATOM 2239 CG MET B 114 12.153 -37.077 12.120 1.00 37.99 C ATOM 2240 SD MET B 114 10.507 -37.481 11.503 1.00 35.59 S ATOM 2241 CE MET B 114 9.852 -38.424 12.871 1.00 36.47 C ATOM 2242 H MET B 114 15.157 -38.526 11.104 1.00 0.00 H ATOM 2243 N GLU B 115 16.040 -38.727 14.576 1.00 58.72 N ATOM 2244 CA GLU B 115 16.969 -39.713 15.118 1.00 61.71 C ATOM 2245 C GLU B 115 16.283 -40.669 16.086 1.00 57.11 C ATOM 2246 O GLU B 115 16.605 -41.861 16.111 1.00 57.11 O ATOM 2247 CB GLU B 115 18.145 -39.005 15.796 1.00 71.19 C ATOM 2248 CG GLU B 115 17.759 -38.091 16.961 1.00 75.62 C ATOM 2249 CD GLU B 115 18.948 -37.354 17.567 1.00 85.23 C ATOM 2250 OE1 GLU B 115 19.952 -37.142 16.852 1.00 90.45 O ATOM 2251 OE2 GLU B 115 18.876 -36.987 18.760 1.00 87.75 O ATOM 2252 H GLU B 115 16.160 -37.723 14.821 1.00 0.00 H ATOM 2253 N HIS B 116 15.337 -40.173 16.888 1.00 53.73 N ATOM 2254 CA HIS B 116 14.700 -41.033 17.883 1.00 50.55 C ATOM 2255 C HIS B 116 13.822 -42.088 17.226 1.00 46.23 C ATOM 2256 O HIS B 116 13.742 -43.224 17.708 1.00 46.29 O ATOM 2257 CB HIS B 116 13.883 -40.196 18.866 1.00 50.46 C ATOM 2258 CG HIS B 116 14.703 -39.226 19.655 1.00 56.28 C ATOM 2259 ND1 HIS B 116 15.645 -39.627 20.577 1.00 60.58 N ATOM 2260 CD2 HIS B 116 14.726 -37.873 19.656 1.00 59.16 C ATOM 2261 CE1 HIS B 116 16.214 -38.562 21.113 1.00 65.03 C ATOM 2262 NE2 HIS B 116 15.673 -37.485 20.573 1.00 64.27 N ATOM 2263 H HIS B 116 15.054 -39.176 16.804 1.00 0.00 H ATOM 2264 N VAL B 117 13.145 -41.734 16.133 1.00 42.97 N ATOM 2265 CA VAL B 117 12.307 -42.713 15.448 1.00 39.24 C ATOM 2266 C VAL B 117 13.170 -43.772 14.774 1.00 40.00 C ATOM 2267 O VAL B 117 12.805 -44.953 14.728 1.00 39.31 O ATOM 2268 CB VAL B 117 11.367 -42.010 14.454 1.00 36.51 C ATOM 2269 CG1 VAL B 117 10.579 -43.028 13.637 1.00 34.13 C ATOM 2270 CG2 VAL B 117 10.416 -41.103 15.202 1.00 35.84 C ATOM 2271 H VAL B 117 13.214 -40.762 15.769 1.00 0.00 H ATOM 2272 N VAL B 118 14.341 -43.379 14.268 1.00 41.99 N ATOM 2273 CA VAL B 118 15.254 -44.359 13.687 1.00 42.96 C ATOM 2274 C VAL B 118 15.741 -45.332 14.755 1.00 44.28 C ATOM 2275 O VAL B 118 15.793 -46.547 14.530 1.00 44.26 O ATOM 2276 CB VAL B 118 16.429 -43.650 12.985 1.00 45.94 C ATOM 2277 CG1 VAL B 118 17.403 -44.672 12.427 1.00 43.70 C ATOM 2278 CG2 VAL B 118 15.919 -42.738 11.888 1.00 41.08 C ATOM 2279 H VAL B 118 14.603 -42.373 14.288 1.00 0.00 H ATOM 2280 N ASP B 119 16.095 -44.817 15.938 1.00 41.42 N ATOM 2281 CA ASP B 119 16.609 -45.679 17.001 1.00 46.44 C ATOM 2282 C ASP B 119 15.559 -46.686 17.454 1.00 44.29 C ATOM 2283 O ASP B 119 15.880 -47.848 17.735 1.00 43.27 O ATOM 2284 CB ASP B 119 17.086 -44.834 18.184 1.00 46.85 C ATOM 2285 H ASP B 119 16.004 -43.794 16.103 1.00 0.00 H ATOM 2286 N THR B 120 14.299 -46.261 17.527 1.00 41.39 N ATOM 2287 CA THR B 120 13.232 -47.178 17.907 1.00 41.06 C ATOM 2288 C THR B 120 12.975 -48.209 16.813 1.00 40.92 C ATOM 2289 O THR B 120 12.688 -49.377 17.107 1.00 41.78 O ATOM 2290 CB THR B 120 11.964 -46.386 18.237 1.00 39.47 C ATOM 2291 OG1 THR B 120 12.095 -45.791 19.535 1.00 42.02 O ATOM 2292 CG2 THR B 120 10.736 -47.279 18.220 1.00 38.29 C ATOM 2293 HG1 THR B 120 11.274 -45.279 19.747 1.00 0.00 H ATOM 2294 H THR B 120 14.075 -45.269 17.311 1.00 0.00 H ATOM 2295 N CYS B 121 13.091 -47.805 15.546 1.00 41.03 N ATOM 2296 CA CYS B 121 12.933 -48.760 14.453 1.00 42.51 C ATOM 2297 C CYS B 121 13.993 -49.854 14.521 1.00 46.68 C ATOM 2298 O CYS B 121 13.680 -51.043 14.395 1.00 46.82 O ATOM 2299 CB CYS B 121 12.991 -48.039 13.105 1.00 42.00 C ATOM 2300 SG CYS B 121 11.425 -47.293 12.584 1.00 40.17 S ATOM 2301 H CYS B 121 13.295 -46.807 15.337 1.00 0.00 H ATOM 2302 N ARG B 122 15.256 -49.471 14.731 1.00 51.38 N ATOM 2303 CA ARG B 122 16.327 -50.463 14.757 1.00 54.74 C ATOM 2304 C ARG B 122 16.149 -51.448 15.908 1.00 55.67 C ATOM 2305 O ARG B 122 16.466 -52.636 15.769 1.00 58.28 O ATOM 2306 CB ARG B 122 17.688 -49.773 14.843 1.00 59.58 C ATOM 2307 CG ARG B 122 17.914 -48.744 13.756 1.00 61.02 C ATOM 2308 CD ARG B 122 19.390 -48.499 13.510 1.00 67.93 C ATOM 2309 NE ARG B 122 19.612 -47.244 12.798 1.00 71.01 N ATOM 2310 CZ ARG B 122 20.785 -46.863 12.306 1.00 77.26 C ATOM 2311 NH1 ARG B 122 21.846 -47.647 12.440 1.00 82.13 N ATOM 2312 NH2 ARG B 122 20.896 -45.701 11.676 1.00 78.91 N ATOM 2313 HE ARG B 122 18.800 -46.608 12.668 1.00 0.00 H ATOM 2314 HH12 ARG B 122 22.765 -47.349 12.055 1.00 0.00 H ATOM 2315 HH11 ARG B 122 21.759 -48.560 12.930 1.00 0.00 H ATOM 2316 HH22 ARG B 122 21.815 -45.404 11.291 1.00 0.00 H ATOM 2317 HH21 ARG B 122 20.064 -45.087 11.567 1.00 0.00 H ATOM 2318 H ARG B 122 15.476 -48.465 14.876 1.00 0.00 H ATOM 2319 N LYS B 123 15.636 -50.975 17.049 1.00 53.35 N ATOM 2320 CA LYS B 123 15.402 -51.865 18.184 1.00 54.28 C ATOM 2321 C LYS B 123 14.422 -52.978 17.826 1.00 53.07 C ATOM 2322 O LYS B 123 14.636 -54.141 18.186 1.00 56.25 O ATOM 2323 CB LYS B 123 14.888 -51.066 19.383 1.00 53.88 C ATOM 2324 CG LYS B 123 15.950 -50.242 20.089 1.00 56.45 C ATOM 2325 CD LYS B 123 15.324 -49.307 21.115 1.00 56.19 C ATOM 2326 CE LYS B 123 16.324 -48.907 22.187 1.00 60.33 C ATOM 2327 NZ LYS B 123 17.671 -48.607 21.625 1.00 61.83 N ATOM 2328 HZ1 LYS B 123 18.039 -49.451 21.141 1.00 0.00 H ATOM 2329 HZ2 LYS B 123 17.595 -47.822 20.947 1.00 0.00 H ATOM 2330 HZ3 LYS B 123 18.315 -48.340 22.396 1.00 0.00 H ATOM 2331 H LYS B 123 15.402 -49.965 17.129 1.00 0.00 H ATOM 2332 N PHE B 124 13.340 -52.642 17.115 1.00 49.35 N ATOM 2333 CA PHE B 124 12.377 -53.664 16.716 1.00 48.94 C ATOM 2334 C PHE B 124 12.941 -54.587 15.643 1.00 49.41 C ATOM 2335 O PHE B 124 12.616 -55.780 15.624 1.00 53.21 O ATOM 2336 CB PHE B 124 11.081 -53.017 16.228 1.00 45.38 C ATOM 2337 CG PHE B 124 10.161 -52.597 17.337 1.00 44.28 C ATOM 2338 CD1 PHE B 124 9.518 -53.545 18.113 1.00 46.71 C ATOM 2339 CD2 PHE B 124 9.934 -51.258 17.601 1.00 41.09 C ATOM 2340 CE1 PHE B 124 8.672 -53.164 19.137 1.00 47.14 C ATOM 2341 CE2 PHE B 124 9.088 -50.873 18.619 1.00 41.17 C ATOM 2342 CZ PHE B 124 8.456 -51.827 19.390 1.00 44.19 C ATOM 2343 H PHE B 124 13.184 -51.650 16.846 1.00 0.00 H ATOM 2344 N ILE B 125 13.775 -54.067 14.743 1.00 46.06 N ATOM 2345 CA ILE B 125 14.406 -54.934 13.755 1.00 46.13 C ATOM 2346 C ILE B 125 15.369 -55.897 14.438 1.00 52.21 C ATOM 2347 O ILE B 125 15.314 -57.112 14.221 1.00 53.26 O ATOM 2348 CB ILE B 125 15.107 -54.095 12.671 1.00 49.13 C ATOM 2349 CG1 ILE B 125 14.076 -53.280 11.893 1.00 41.42 C ATOM 2350 CG2 ILE B 125 15.898 -54.987 11.723 1.00 47.42 C ATOM 2351 CD1 ILE B 125 14.681 -52.350 10.882 1.00 40.70 C ATOM 2352 H ILE B 125 13.975 -53.046 14.745 1.00 0.00 H ATOM 2353 N LYS B 126 16.251 -55.367 15.291 1.00 53.69 N ATOM 2354 CA LYS B 126 17.204 -56.203 16.017 1.00 59.33 C ATOM 2355 C LYS B 126 16.502 -57.243 16.882 1.00 63.36 C ATOM 2356 O LYS B 126 17.033 -58.341 17.087 1.00 68.34 O ATOM 2357 CB LYS B 126 18.115 -55.314 16.868 1.00 60.75 C ATOM 2358 CG LYS B 126 19.106 -56.046 17.769 1.00 66.79 C ATOM 2359 CD LYS B 126 19.963 -55.043 18.547 1.00 68.74 C ATOM 2360 CE LYS B 126 19.694 -55.084 20.044 1.00 71.35 C ATOM 2361 NZ LYS B 126 20.342 -56.257 20.692 1.00 77.77 N ATOM 2362 HZ1 LYS B 126 19.973 -57.133 20.270 1.00 0.00 H ATOM 2363 HZ2 LYS B 126 21.371 -56.208 20.546 1.00 0.00 H ATOM 2364 HZ3 LYS B 126 20.134 -56.247 21.711 1.00 0.00 H ATOM 2365 H LYS B 126 16.259 -54.338 15.441 1.00 0.00 H ATOM 2366 N ALA B 127 15.307 -56.926 17.387 1.00 61.60 N ATOM 2367 CA ALA B 127 14.563 -57.896 18.182 1.00 66.26 C ATOM 2368 C ALA B 127 14.035 -59.042 17.326 1.00 69.11 C ATOM 2369 O ALA B 127 13.837 -60.152 17.835 1.00 74.44 O ATOM 2370 CB ALA B 127 13.416 -57.201 18.913 1.00 58.60 C ATOM 2371 H ALA B 127 14.905 -55.983 17.212 1.00 0.00 H ATOM 2372 N SER B 128 13.809 -58.800 16.038 1.00 66.35 N ATOM 2373 CA SER B 128 13.364 -59.839 15.115 1.00 67.82 C ATOM 2374 C SER B 128 14.551 -60.568 14.497 1.00 69.60 C ATOM 2375 O SER B 128 14.810 -61.728 14.810 1.00 74.14 O ATOM 2376 CB SER B 128 12.494 -59.238 14.009 1.00 64.48 C ATOM 2377 OG SER B 128 11.436 -58.466 14.550 1.00 61.75 O ATOM 2378 HG SER B 128 11.812 -57.728 15.093 1.00 0.00 H ATOM 2379 H SER B 128 13.955 -57.836 15.676 1.00 0.00 H TER 2380 SER B 128 HETATM 2381 O HOH 1 -1.311 -0.460 23.112 1.00 48.97 O HETATM 2382 O HOH 2 8.506 -26.178 26.715 1.00 31.60 O HETATM 2383 O HOH 3 7.196 -5.058 24.922 1.00 30.07 O HETATM 2384 O HOH 4 4.215 -37.613 24.030 1.00 19.80 O HETATM 2385 O HOH 5 -6.016 -20.805 6.857 1.00 38.93 O HETATM 2386 O HOH 6 10.849 -24.092 27.427 1.00 36.09 O HETATM 2387 O HOH 7 3.806 -47.959 22.857 1.00 29.85 O HETATM 2388 O HOH 8 -3.125 -46.270 19.658 1.00 36.43 O HETATM 2389 O HOH 9 3.523 -9.414 13.334 1.00 28.23 O HETATM 2390 O HOH 10 7.607 -28.846 27.197 1.00 41.82 O HETATM 2391 O HOH 11 10.328 -37.769 19.120 1.00 30.37 O HETATM 2392 O HOH 12 5.187 -35.270 26.527 1.00 22.88 O HETATM 2393 O HOH 13 3.550 -21.643 41.693 1.00 37.17 O HETATM 2394 O HOH 14 -2.201 -2.388 32.176 1.00 37.41 O HETATM 2395 O HOH 15 3.095 -39.109 27.469 1.00 58.47 O HETATM 2396 O HOH 16 -0.971 -41.712 14.580 1.00 33.89 O HETATM 2397 O HOH 17 -4.076 -26.653 25.708 1.00 48.90 O HETATM 2398 O HOH 18 4.742 -12.989 45.418 1.00 46.75 O HETATM 2399 O HOH 19 4.514 -16.302 46.554 1.00 43.98 O HETATM 2400 O HOH 20 -10.065 -23.175 6.670 1.00 46.29 O HETATM 2401 O HOH 21 9.711 -40.164 23.443 1.00 37.28 O HETATM 2402 O HOH 22 0.094 5.879 29.793 1.00 45.47 O HETATM 2403 O HOH 23 -7.012 -6.303 17.669 1.00 36.46 O HETATM 2404 O HOH 24 -3.187 -43.375 12.369 1.00 32.32 O HETATM 2405 O HOH 25 -9.997 -19.933 4.117 1.00 40.22 O HETATM 2406 O HOH 26 9.830 -13.564 12.179 1.00 38.84 O HETATM 2407 O HOH 27 10.563 -18.420 27.924 1.00 50.60 O HETATM 2408 O HOH 28 -12.800 -22.288 8.505 1.00 38.90 O HETATM 2409 O HOH 29 -9.819 -27.158 23.562 1.00 31.75 O HETATM 2410 O HOH 30 -8.346 -17.064 5.516 1.00 49.28 O HETATM 2411 O HOH 31 7.342 -35.897 29.259 1.00 55.67 O HETATM 2412 O HOH 32 -1.135 -21.214 47.932 1.00 44.94 O HETATM 2413 O HOH 33 -14.673 -13.953 29.441 1.00 30.89 O HETATM 2414 O HOH 34 -9.460 -8.526 20.826 1.00 48.76 O HETATM 2415 O HOH 35 -6.703 -26.405 26.224 1.00 31.68 O HETATM 2416 O HOH 36 -5.351 -29.598 33.968 1.00 43.06 O HETATM 2417 O HOH 37 -2.708 -28.947 37.523 1.00 40.30 O HETATM 2418 O HOH 38 -5.460 -2.301 14.368 1.00 42.76 O HETATM 2419 O HOH 39 -7.404 -6.993 36.306 1.00 22.91 O HETATM 2420 O HOH 40 2.495 -3.087 16.424 1.00 45.96 O HETATM 2421 O HOH 41 -8.664 -8.368 18.330 1.00 44.67 O HETATM 2422 O HOH 42 -11.522 -7.021 11.984 1.00 53.80 O HETATM 2423 O HOH 43 5.432 -50.639 3.647 1.00 32.73 O HETATM 2424 O HOH 44 5.767 -19.077 5.576 1.00 30.55 O HETATM 2425 O HOH 45 -3.676 -35.355 26.216 1.00 44.58 O HETATM 2426 O HOH 46 -1.747 -33.109 6.446 1.00 32.31 O HETATM 2427 O HOH 47 10.569 -43.827 1.899 1.00 52.12 O HETATM 2428 O HOH 48 1.663 -31.056 38.718 1.00 37.37 O HETATM 2429 O HOH 49 -1.557 -37.525 7.668 1.00 32.40 O HETATM 2430 O HOH 50 2.494 -55.670 8.720 1.00 39.68 O HETATM 2431 O HOH 51 3.976 -22.310 11.037 1.00 44.40 O HETATM 2432 O HOH 52 -3.537 -26.616 29.802 1.00 19.39 O HETATM 2433 O HOH 53 2.861 -31.326 29.792 1.00 33.07 O HETATM 2434 O HOH 54 1.817 -33.690 28.029 1.00 24.18 O HETATM 2435 O HOH 55 -2.043 -35.152 19.552 1.00 60.71 O HETATM 2436 O HOH 56 2.963 -21.707 13.458 1.00 43.06 O HETATM 2437 O HOH 57 2.065 -49.425 15.803 1.00 22.24 O HETATM 2438 O HOH 58 6.640 -19.861 -2.423 1.00 40.44 O HETATM 2439 O HOH 59 5.550 -28.917 39.865 1.00 45.30 O HETATM 2440 O HOH 60 19.858 -39.022 9.438 1.00 42.73 O HETATM 2441 O HOH 61 10.862 -33.477 18.938 1.00 37.23 O HETATM 2442 O HOH 62 8.045 -51.301 4.517 1.00 35.03 O HETATM 2443 O HOH 63 0.747 -36.618 22.707 1.00 31.75 O HETATM 2444 O HOH 64 -7.712 -34.528 14.769 1.00 35.49 O HETATM 2445 O HOH 65 13.509 -27.955 -0.857 1.00 44.43 O HETATM 2446 O HOH 66 11.210 -27.189 41.231 1.00 54.56 O HETATM 2447 O HOH 67 15.547 -48.456 5.675 1.00 40.18 O HETATM 2448 O HOH 68 -0.424 -43.377 11.529 1.00 37.13 O HETATM 2449 O HOH 69 -0.504 -53.727 7.871 1.00 35.16 O HETATM 2450 O HOH 70 14.057 -11.638 8.397 1.00 46.95 O HETATM 2451 O HOH 71 16.159 -12.272 10.546 1.00 46.79 O HETATM 2452 O HOH 72 10.285 -24.704 38.743 1.00 46.88 O HETATM 2453 O HOH 73 4.726 -16.311 3.748 1.00 34.95 O HETATM 2454 O HOH 74 1.954 -52.405 6.719 1.00 34.13 O HETATM 2455 O HOH 75 11.965 -38.274 16.526 1.00 41.29 O HETATM 2456 O HOH 76 17.114 -33.023 1.214 1.00 37.17 O HETATM 2457 O HOH 77 15.334 -15.450 12.442 1.00 32.34 O HETATM 2458 O HOH 78 9.652 -45.525 22.376 1.00 31.98 O HETATM 2459 O HOH 79 19.457 -37.036 13.126 1.00 44.94 O HETATM 2460 O HOH 80 2.619 -23.658 43.678 1.00 38.83 O HETATM 2461 O HOH 81 -2.444 -41.066 2.548 1.00 48.38 O HETATM 2462 O HOH 82 12.880 -34.495 18.360 1.00 37.98 O HETATM 2463 O HOH 83 -2.463 -34.999 4.401 1.00 38.14 O HETATM 2464 O HOH 84 -1.804 -38.354 -0.044 1.00 45.65 O HETATM 2465 O HOH 85 19.861 -31.147 13.274 1.00 53.81 O HETATM 2466 O HOH 86 12.066 -52.743 21.872 1.00 43.57 O HETATM 2467 CAB EHY A 87 -15.038 -25.853 21.883 1.00 -0.07 C HETATM 2468 CAC EHY A 87 -14.428 -25.069 20.907 1.00 -0.07 C HETATM 2469 CAG EHY A 87 -13.356 -25.578 20.182 1.00 -0.06 C HETATM 2470 CAQ EHY A 87 -12.905 -26.870 20.432 1.00 -0.04 C HETATM 2471 CAH EHY A 87 -13.511 -27.649 21.413 1.00 -0.06 C HETATM 2472 CAD EHY A 87 -14.582 -27.142 22.137 1.00 -0.07 C HETATM 2473 H3 EHY A 87 -15.061 -27.749 22.897 1.00 0.06 H HETATM 2474 H7 EHY A 87 -13.147 -28.651 21.612 1.00 0.06 H HETATM 2475 CAL EHY A 87 -11.829 -27.372 19.723 1.00 0.00 C HETATM 2476 CAK EHY A 87 -10.583 -27.050 20.549 1.00 0.05 C HETATM 2477 NAN EHY A 87 -9.491 -26.741 19.632 1.00 -0.28 N HETATM 2478 CAP EHY A 87 -8.594 -25.728 19.640 1.00 0.17 C HETATM 2479 NAO EHY A 87 -8.424 -24.699 20.526 1.00 -0.22 N HETATM 2480 CAR EHY A 87 -9.120 -24.345 21.624 1.00 0.10 C HETATM 2481 CAI EHY A 87 -10.464 -23.972 21.585 1.00 -0.02 C HETATM 2482 CAE EHY A 87 -11.129 -23.566 22.743 1.00 -0.05 C HETATM 2483 CAF EHY A 87 -10.452 -23.485 23.954 1.00 -0.00 C HETATM 2484 NAM EHY A 87 -9.096 -23.820 24.005 1.00 -0.31 N HETATM 2485 CAJ EHY A 87 -8.437 -24.233 22.835 1.00 0.03 C HETATM 2486 H9 EHY A 87 -7.380 -24.469 22.874 1.00 0.07 H HETATM 2487 H5 EHY A 87 -10.971 -23.165 24.851 1.00 0.07 H HETATM 2488 H4 EHY A 87 -12.182 -23.312 22.697 1.00 0.07 H HETATM 2489 H8 EHY A 87 -10.999 -23.998 20.642 1.00 0.06 H HETATM 2490 H15 EHY A 87 -7.646 -24.105 20.323 1.00 0.24 H HETATM 2491 SAA EHY A 87 -7.568 -25.763 18.453 1.00 -0.29 S HETATM 2492 H14 EHY A 87 -9.389 -27.384 18.873 1.00 0.20 H HETATM 2493 H10 EHY A 87 -10.313 -27.918 21.169 1.00 0.06 H HETATM 2494 H11 EHY A 87 -10.780 -26.183 21.197 1.00 0.06 H HETATM 2495 H12 EHY A 87 -11.931 -28.460 19.596 1.00 0.04 H HETATM 2496 H13 EHY A 87 -11.766 -26.892 18.735 1.00 0.04 H HETATM 2497 H6 EHY A 87 -12.874 -24.970 19.425 1.00 0.06 H HETATM 2498 H2 EHY A 87 -14.788 -24.065 20.713 1.00 0.06 H HETATM 2499 H1 EHY A 87 -15.873 -25.456 22.448 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1203 1204 1210 1211 1212 CONECT 1210 1203 CONECT 1211 1203 CONECT 1212 1203 CONECT 2467 2468 2472 2499 CONECT 2468 2467 2469 2498 CONECT 2469 2468 2470 2497 CONECT 2470 2469 2471 2475 CONECT 2471 2470 2472 2474 CONECT 2472 2467 2471 2473 CONECT 2473 2472 CONECT 2474 2471 CONECT 2475 2470 2476 2495 2496 CONECT 2476 2475 2477 2493 2494 CONECT 2477 2476 2478 2492 CONECT 2478 2477 2479 2491 CONECT 2479 2478 2480 2490 CONECT 2480 2479 2481 2485 CONECT 2481 2480 2482 2489 CONECT 2482 2481 2483 2488 CONECT 2483 2482 2484 2487 CONECT 2484 2483 2485 CONECT 2485 2480 2484 2486 CONECT 2486 2485 CONECT 2487 2483 CONECT 2488 2482 CONECT 2489 2481 CONECT 2490 2479 CONECT 2491 2478 CONECT 2492 2477 CONECT 2493 2476 CONECT 2494 2476 CONECT 2495 2475 CONECT 2496 2475 CONECT 2497 2469 CONECT 2498 2468 CONECT 2499 2467 MASTER 0 0 0 0 0 0 0 0 2497 2 41 20 END
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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
6c3n
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
EHY
EC.Number
E.C.-.-.-.-
Resolution
2.53(Å)
Affinity (Kd/Ki/IC50)
Kd=3.2mM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J.Med.Chem. Vol. 61: pp. 7573-7588
Ligand Properties
Formula
C
1
4
H
1
5
N
3
S
Molecular Weight
257.354
Exact Mass
257.099
No. of atoms
33
No. of bonds
34
Polar Surface Area
69.04
LOGP Value
2.41 (
Computed with XLOGP3
)
3.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
S=C(Nc1cccnc1)NCCc1ccccc1
InChI String
InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18)
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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