Browse entries in the PDBbind-CN Database
HEADER 5D2A_COMPLEX COMPND 5D2A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 ALA THR GLN GLY VAL PHE THR LEU PRO ALA ASN THR ARG SEQRES 2 A 114 PHE GLY VAL THR ALA PHE ALA ASN SER SER GLY THR GLN SEQRES 3 A 114 THR VAL ASN VAL LEU VAL ASN ASN GLU THR ALA ALA THR SEQRES 4 A 114 PHE SER GLY GLN SER THR ASN ASN ALA VAL ILE GLY THR SEQRES 5 A 114 GLN VAL LEU ASN SER GLY SER SER GLY LYS VAL GLN VAL SEQRES 6 A 114 GLN VAL SER VAL ASN GLY ARG PRO SER ASP LEU VAL SER SEQRES 7 A 114 ALA GLN VAL ILE LEU THR ASN GLU LEU ASN PHE ALA LEU SEQRES 8 A 114 VAL GLY SER GLU ASP GLY THR ASP ASN ASP TYR ASN ASP SEQRES 9 A 114 ALA VAL VAL VAL ILE ASN TRP PRO LEU GLY SEQRES 1 B 114 ALA THR GLN GLY VAL PHE THR LEU PRO ALA ASN THR ARG SEQRES 2 B 114 PHE GLY VAL THR ALA PHE ALA ASN SER SER GLY THR GLN SEQRES 3 B 114 THR VAL ASN VAL LEU VAL ASN ASN GLU THR ALA ALA THR SEQRES 4 B 114 PHE SER GLY GLN SER THR ASN ASN ALA VAL ILE GLY THR SEQRES 5 B 114 GLN VAL LEU ASN SER GLY SER SER GLY LYS VAL GLN VAL SEQRES 6 B 114 GLN VAL SER VAL ASN GLY ARG PRO SER ASP LEU VAL SER SEQRES 7 B 114 ALA GLN VAL ILE LEU THR ASN GLU LEU ASN PHE ALA LEU SEQRES 8 B 114 VAL GLY SER GLU ASP GLY THR ASP ASN ASP TYR ASN ASP SEQRES 9 B 114 ALA VAL VAL VAL ILE ASN TRP PRO LEU GLY HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET ALA A 312 183 ATOM 1 N ALA A 1 -52.206 -1.237 17.501 1.00 51.58 N ATOM 2 CA ALA A 1 -50.915 -1.045 16.841 1.00 50.29 C ATOM 3 C ALA A 1 -50.549 0.422 16.695 1.00 50.86 C ATOM 4 O ALA A 1 -51.379 1.293 16.850 1.00 50.56 O ATOM 5 CB ALA A 1 -50.927 -1.685 15.492 1.00 48.80 C ATOM 6 HN3 ALA A 1 -52.952 -0.774 16.943 1.00 0.00 H ATOM 7 HN2 ALA A 1 -52.173 -0.818 18.452 1.00 0.00 H ATOM 8 HN1 ALA A 1 -52.408 -2.254 17.576 1.00 0.00 H ATOM 9 N THR A 2 -49.289 0.679 16.354 1.00 51.88 N ATOM 10 CA THR A 2 -48.832 2.021 16.026 1.00 50.24 C ATOM 11 C THR A 2 -49.407 2.490 14.685 1.00 48.10 C ATOM 12 O THR A 2 -49.454 1.723 13.722 1.00 47.43 O ATOM 13 CB THR A 2 -47.286 2.062 15.991 1.00 52.80 C ATOM 14 OG1 THR A 2 -46.782 1.808 17.309 1.00 52.26 O ATOM 15 CG2 THR A 2 -46.797 3.414 15.520 1.00 49.45 C ATOM 16 HG1 THR A 2 -47.086 0.916 17.611 1.00 0.00 H ATOM 17 H THR A 2 -48.608 -0.106 16.321 1.00 0.00 H ATOM 18 N GLN A 3 -49.857 3.744 14.630 1.00 48.21 N ATOM 19 CA GLN A 3 -50.490 4.304 13.441 1.00 45.54 C ATOM 20 C GLN A 3 -49.869 5.679 13.100 1.00 47.99 C ATOM 21 O GLN A 3 -49.374 6.379 13.989 1.00 47.58 O ATOM 22 CB GLN A 3 -51.997 4.443 13.667 1.00 45.32 C ATOM 23 CG GLN A 3 -52.781 3.118 13.847 1.00 47.34 C ATOM 24 CD GLN A 3 -53.023 2.391 12.531 1.00 45.58 C ATOM 25 OE1 GLN A 3 -54.074 2.554 11.907 1.00 45.39 O ATOM 26 NE2 GLN A 3 -52.051 1.602 12.098 1.00 43.73 N ATOM 27 HE22 GLN A 3 -51.181 1.494 12.657 1.00 0.00 H ATOM 28 HE21 GLN A 3 -52.158 1.091 11.199 1.00 0.00 H ATOM 29 H GLN A 3 -49.752 4.348 15.470 1.00 0.00 H ATOM 30 N GLY A 4 -49.899 6.060 11.825 1.00 46.32 N ATOM 31 CA GLY A 4 -49.395 7.355 11.406 1.00 44.30 C ATOM 32 C GLY A 4 -47.893 7.387 11.146 1.00 46.30 C ATOM 33 O GLY A 4 -47.313 8.458 10.963 1.00 45.23 O ATOM 34 H GLY A 4 -50.293 5.414 11.112 1.00 0.00 H ATOM 35 N VAL A 5 -47.256 6.213 11.135 1.00 44.91 N ATOM 36 CA VAL A 5 -45.809 6.142 10.952 1.00 45.15 C ATOM 37 C VAL A 5 -45.485 5.401 9.660 1.00 45.88 C ATOM 38 O VAL A 5 -45.943 4.266 9.432 1.00 46.20 O ATOM 39 CB VAL A 5 -45.130 5.460 12.160 1.00 45.45 C ATOM 40 CG1 VAL A 5 -43.671 5.068 11.856 1.00 47.35 C ATOM 41 CG2 VAL A 5 -45.245 6.340 13.395 1.00 46.43 C ATOM 42 H VAL A 5 -47.800 5.335 11.259 1.00 0.00 H ATOM 43 N PHE A 6 -44.712 6.055 8.808 1.00 44.11 N ATOM 44 CA PHE A 6 -44.436 5.560 7.471 1.00 43.51 C ATOM 45 C PHE A 6 -42.942 5.554 7.131 1.00 45.64 C ATOM 46 O PHE A 6 -42.248 6.531 7.402 1.00 45.87 O ATOM 47 CB PHE A 6 -45.179 6.414 6.459 1.00 42.27 C ATOM 48 CG PHE A 6 -46.648 6.543 6.751 1.00 45.72 C ATOM 49 CD1 PHE A 6 -47.497 5.444 6.615 1.00 44.76 C ATOM 50 CD2 PHE A 6 -47.188 7.759 7.146 1.00 44.06 C ATOM 51 CE1 PHE A 6 -48.845 5.555 6.870 1.00 43.39 C ATOM 52 CE2 PHE A 6 -48.532 7.877 7.401 1.00 44.63 C ATOM 53 CZ PHE A 6 -49.365 6.778 7.263 1.00 44.49 C ATOM 54 H PHE A 6 -44.287 6.956 9.107 1.00 0.00 H ATOM 55 N THR A 7 -42.463 4.478 6.514 1.00 43.34 N ATOM 56 CA THR A 7 -41.120 4.455 5.968 1.00 43.89 C ATOM 57 C THR A 7 -41.149 4.748 4.481 1.00 44.43 C ATOM 58 O THR A 7 -41.665 3.962 3.688 1.00 45.78 O ATOM 59 CB THR A 7 -40.420 3.080 6.192 1.00 44.90 C ATOM 60 OG1 THR A 7 -40.486 2.746 7.580 1.00 45.67 O ATOM 61 CG2 THR A 7 -38.959 3.149 5.748 1.00 44.38 C ATOM 62 HG1 THR A 7 -40.043 1.873 7.730 1.00 0.00 H ATOM 63 H THR A 7 -43.065 3.635 6.421 1.00 0.00 H ATOM 64 N LEU A 8 -40.560 5.873 4.110 1.00 45.31 N ATOM 65 CA LEU A 8 -40.465 6.299 2.727 1.00 46.24 C ATOM 66 C LEU A 8 -39.088 5.907 2.265 1.00 45.96 C ATOM 67 O LEU A 8 -38.219 5.688 3.088 1.00 47.35 O ATOM 68 CB LEU A 8 -40.668 7.834 2.590 1.00 44.97 C ATOM 69 CG LEU A 8 -42.136 8.273 2.486 1.00 46.13 C ATOM 70 CD1 LEU A 8 -42.931 7.830 3.699 1.00 44.64 C ATOM 71 CD2 LEU A 8 -42.258 9.781 2.273 1.00 44.23 C ATOM 72 H LEU A 8 -40.145 6.481 4.845 1.00 0.00 H ATOM 73 N PRO A 9 -38.886 5.810 0.953 1.00 46.31 N ATOM 74 CA PRO A 9 -37.514 5.669 0.473 1.00 48.42 C ATOM 75 C PRO A 9 -36.698 6.907 0.860 1.00 49.86 C ATOM 76 O PRO A 9 -37.226 8.028 0.944 1.00 48.79 O ATOM 77 CB PRO A 9 -37.680 5.525 -1.045 1.00 49.03 C ATOM 78 CG PRO A 9 -39.028 6.079 -1.344 1.00 50.62 C ATOM 79 CD PRO A 9 -39.869 5.826 -0.141 1.00 48.13 C ATOM 80 N ALA A 10 -35.422 6.683 1.133 1.00 49.48 N ATOM 81 CA ALA A 10 -34.523 7.711 1.642 1.00 49.05 C ATOM 82 C ALA A 10 -34.359 8.885 0.675 1.00 49.57 C ATOM 83 O ALA A 10 -34.436 8.721 -0.546 1.00 50.30 O ATOM 84 CB ALA A 10 -33.152 7.085 1.970 1.00 48.32 C ATOM 85 H ALA A 10 -35.043 5.727 0.977 1.00 0.00 H ATOM 86 N ASN A 11 -34.162 10.072 1.244 1.00 49.18 N ATOM 87 CA ASN A 11 -33.918 11.295 0.475 1.00 50.23 C ATOM 88 C ASN A 11 -34.899 11.538 -0.660 1.00 48.97 C ATOM 89 O ASN A 11 -34.508 11.897 -1.773 1.00 49.13 O ATOM 90 CB ASN A 11 -32.489 11.268 -0.072 1.00 50.45 C ATOM 91 CG ASN A 11 -31.480 11.079 1.023 1.00 52.68 C ATOM 92 OD1 ASN A 11 -31.444 11.856 1.977 1.00 55.25 O ATOM 93 ND2 ASN A 11 -30.674 10.027 0.919 1.00 53.79 N ATOM 94 HD22 ASN A 11 -30.743 9.399 0.093 1.00 0.00 H ATOM 95 HD21 ASN A 11 -29.975 9.832 1.664 1.00 0.00 H ATOM 96 H ASN A 11 -34.182 10.134 2.282 1.00 0.00 H ATOM 97 N THR A 12 -36.178 11.342 -0.373 1.00 46.97 N ATOM 98 CA THR A 12 -37.191 11.502 -1.390 1.00 47.81 C ATOM 99 C THR A 12 -38.151 12.646 -1.003 1.00 47.68 C ATOM 100 O THR A 12 -38.503 12.817 0.170 1.00 46.79 O ATOM 101 CB THR A 12 -37.905 10.135 -1.598 1.00 49.53 C ATOM 102 OG1 THR A 12 -36.930 9.200 -2.092 1.00 49.95 O ATOM 103 CG2 THR A 12 -39.077 10.216 -2.573 1.00 46.85 C ATOM 104 HG1 THR A 12 -36.198 9.109 -1.432 1.00 0.00 H ATOM 105 H THR A 12 -36.454 11.071 0.592 1.00 0.00 H ATOM 106 N ARG A 13 -38.490 13.489 -1.973 1.00 47.31 N ATOM 107 CA ARG A 13 -39.490 14.524 -1.736 1.00 48.32 C ATOM 108 C ARG A 13 -40.874 13.907 -1.709 1.00 46.30 C ATOM 109 O ARG A 13 -41.176 13.063 -2.544 1.00 46.57 O ATOM 110 CB ARG A 13 -39.456 15.593 -2.813 1.00 50.07 C ATOM 111 CG ARG A 13 -38.135 16.296 -2.956 1.00 53.12 C ATOM 112 CD ARG A 13 -38.149 16.995 -4.287 1.00 54.65 C ATOM 113 NE ARG A 13 -38.893 18.231 -4.214 1.00 54.76 N ATOM 114 CZ ARG A 13 -39.752 18.664 -5.131 1.00 56.19 C ATOM 115 NH1 ARG A 13 -40.007 17.942 -6.213 1.00 54.16 N ATOM 116 NH2 ARG A 13 -40.350 19.842 -4.958 1.00 55.26 N ATOM 117 HE ARG A 13 -38.745 18.830 -3.377 1.00 0.00 H ATOM 118 HH12 ARG A 13 -40.681 18.291 -6.924 1.00 0.00 H ATOM 119 HH11 ARG A 13 -39.533 17.027 -6.351 1.00 0.00 H ATOM 120 HH22 ARG A 13 -41.024 20.192 -5.668 1.00 0.00 H ATOM 121 HH21 ARG A 13 -40.143 20.411 -4.113 1.00 0.00 H ATOM 122 H ARG A 13 -38.039 13.410 -2.907 1.00 0.00 H ATOM 123 N PHE A 14 -41.692 14.325 -0.751 1.00 45.91 N ATOM 124 CA PHE A 14 -43.100 13.933 -0.706 1.00 44.50 C ATOM 125 C PHE A 14 -44.026 15.112 -0.389 1.00 45.19 C ATOM 126 O PHE A 14 -43.615 16.060 0.285 1.00 46.51 O ATOM 127 CB PHE A 14 -43.314 12.842 0.333 1.00 44.94 C ATOM 128 CG PHE A 14 -42.992 13.263 1.752 1.00 43.73 C ATOM 129 CD1 PHE A 14 -41.695 13.182 2.238 1.00 42.91 C ATOM 130 CD2 PHE A 14 -44.002 13.691 2.613 1.00 42.40 C ATOM 131 CE1 PHE A 14 -41.404 13.533 3.548 1.00 43.27 C ATOM 132 CE2 PHE A 14 -43.717 14.041 3.917 1.00 40.33 C ATOM 133 CZ PHE A 14 -42.419 13.967 4.384 1.00 41.78 C ATOM 134 H PHE A 14 -41.320 14.951 -0.009 1.00 0.00 H ATOM 135 N GLY A 15 -45.267 15.050 -0.867 1.00 44.11 N ATOM 136 CA GLY A 15 -46.264 16.058 -0.533 1.00 45.80 C ATOM 137 C GLY A 15 -47.018 15.646 0.714 1.00 45.71 C ATOM 138 O GLY A 15 -47.288 14.449 0.913 1.00 45.71 O ATOM 139 H GLY A 15 -45.531 14.263 -1.494 1.00 0.00 H ATOM 140 N VAL A 16 -47.308 16.597 1.591 1.00 42.78 N ATOM 141 CA VAL A 16 -48.226 16.321 2.685 1.00 45.59 C ATOM 142 C VAL A 16 -49.301 17.419 2.802 1.00 46.98 C ATOM 143 O VAL A 16 -49.000 18.624 2.821 1.00 47.33 O ATOM 144 CB VAL A 16 -47.482 16.139 4.031 1.00 43.99 C ATOM 145 CG1 VAL A 16 -46.716 17.357 4.410 1.00 44.94 C ATOM 146 CG2 VAL A 16 -48.467 15.791 5.127 1.00 43.57 C ATOM 147 H VAL A 16 -46.879 17.540 1.497 1.00 0.00 H ATOM 148 N THR A 17 -50.554 16.981 2.851 1.00 45.13 N ATOM 149 CA THR A 17 -51.707 17.867 2.873 1.00 46.40 C ATOM 150 C THR A 17 -52.694 17.420 3.951 1.00 46.99 C ATOM 151 O THR A 17 -52.910 16.213 4.142 1.00 45.03 O ATOM 152 CB THR A 17 -52.431 17.876 1.511 1.00 48.35 C ATOM 153 OG1 THR A 17 -51.494 18.158 0.467 1.00 50.77 O ATOM 154 CG2 THR A 17 -53.579 18.898 1.498 1.00 44.71 C ATOM 155 HG1 THR A 17 -51.082 19.044 0.626 1.00 0.00 H ATOM 156 H THR A 17 -50.719 15.954 2.875 1.00 0.00 H ATOM 157 N ALA A 18 -53.290 18.380 4.648 1.00 43.11 N ATOM 158 CA ALA A 18 -54.150 18.076 5.770 1.00 43.64 C ATOM 159 C ALA A 18 -55.509 18.775 5.608 1.00 45.31 C ATOM 160 O ALA A 18 -55.562 19.953 5.262 1.00 44.00 O ATOM 161 CB ALA A 18 -53.473 18.468 7.074 1.00 42.88 C ATOM 162 H ALA A 18 -53.135 19.373 4.381 1.00 0.00 H ATOM 163 N PHE A 19 -56.592 18.011 5.815 1.00 44.83 N ATOM 164 CA PHE A 19 -57.971 18.482 5.659 1.00 45.03 C ATOM 165 C PHE A 19 -58.687 18.460 7.005 1.00 45.58 C ATOM 166 O PHE A 19 -58.371 17.637 7.863 1.00 45.94 O ATOM 167 CB PHE A 19 -58.775 17.622 4.675 1.00 44.54 C ATOM 168 CG PHE A 19 -58.114 17.411 3.346 1.00 46.41 C ATOM 169 CD1 PHE A 19 -57.072 16.489 3.206 1.00 45.14 C ATOM 170 CD2 PHE A 19 -58.555 18.091 2.224 1.00 45.98 C ATOM 171 CE1 PHE A 19 -56.469 16.283 1.975 1.00 44.64 C ATOM 172 CE2 PHE A 19 -57.961 17.891 0.987 1.00 47.08 C ATOM 173 CZ PHE A 19 -56.911 16.977 0.862 1.00 48.47 C ATOM 174 H PHE A 19 -56.444 17.023 6.104 1.00 0.00 H ATOM 175 N ALA A 20 -59.664 19.346 7.184 1.00 44.56 N ATOM 176 CA ALA A 20 -60.379 19.411 8.448 1.00 44.93 C ATOM 177 C ALA A 20 -61.879 19.117 8.280 1.00 44.75 C ATOM 178 O ALA A 20 -62.501 19.497 7.279 1.00 44.79 O ATOM 179 CB ALA A 20 -60.162 20.764 9.099 1.00 47.16 C ATOM 180 H ALA A 20 -59.918 19.997 6.414 1.00 0.00 H ATOM 181 N ASN A 21 -62.435 18.422 9.270 1.00 45.65 N ATOM 182 CA ASN A 21 -63.873 18.090 9.326 1.00 46.91 C ATOM 183 C ASN A 21 -64.304 17.921 10.774 1.00 47.54 C ATOM 184 O ASN A 21 -64.549 16.807 11.217 1.00 45.95 O ATOM 185 CB ASN A 21 -64.183 16.816 8.554 1.00 44.42 C ATOM 186 CG ASN A 21 -64.004 16.978 7.065 1.00 44.92 C ATOM 187 OD1 ASN A 21 -64.852 17.535 6.387 1.00 44.49 O ATOM 188 ND2 ASN A 21 -62.878 16.501 6.547 1.00 46.45 N ATOM 189 HD22 ASN A 21 -62.181 16.033 7.160 1.00 0.00 H ATOM 190 HD21 ASN A 21 -62.693 16.596 5.528 1.00 0.00 H ATOM 191 H ASN A 21 -61.824 18.095 10.046 1.00 0.00 H ATOM 192 N SER A 22 -64.357 19.031 11.507 1.00 45.77 N ATOM 193 CA SER A 22 -64.607 19.028 12.944 1.00 47.57 C ATOM 194 C SER A 22 -64.824 20.461 13.403 1.00 51.47 C ATOM 195 O SER A 22 -64.241 21.382 12.819 1.00 48.96 O ATOM 196 CB SER A 22 -63.434 18.407 13.698 1.00 47.81 C ATOM 197 OG SER A 22 -63.576 18.529 15.098 1.00 49.02 O ATOM 198 HG SER A 22 -62.796 18.114 15.545 1.00 0.00 H ATOM 199 H SER A 22 -64.213 19.945 11.032 1.00 0.00 H ATOM 200 N SER A 23 -65.638 20.665 14.438 1.00 51.49 N ATOM 201 CA SER A 23 -65.751 22.009 15.002 1.00 54.65 C ATOM 202 C SER A 23 -64.553 22.279 15.929 1.00 54.33 C ATOM 203 O SER A 23 -64.424 23.362 16.472 1.00 55.10 O ATOM 204 CB SER A 23 -67.093 22.202 15.740 1.00 56.42 C ATOM 205 OG SER A 23 -67.288 21.172 16.698 1.00 62.09 O ATOM 206 HG SER A 23 -66.551 21.194 17.359 1.00 0.00 H ATOM 207 H SER A 23 -66.186 19.878 14.840 1.00 0.00 H ATOM 208 N GLY A 24 -63.670 21.291 16.088 1.00 54.24 N ATOM 209 CA GLY A 24 -62.447 21.482 16.861 1.00 53.05 C ATOM 210 C GLY A 24 -61.274 21.893 15.985 1.00 51.12 C ATOM 211 O GLY A 24 -61.115 21.381 14.880 1.00 49.63 O ATOM 212 H GLY A 24 -63.857 20.366 15.652 1.00 0.00 H ATOM 213 N THR A 25 -60.472 22.849 16.452 1.00 49.95 N ATOM 214 CA THR A 25 -59.302 23.280 15.690 1.00 50.95 C ATOM 215 C THR A 25 -58.284 22.171 15.646 1.00 48.62 C ATOM 216 O THR A 25 -57.845 21.704 16.684 1.00 51.78 O ATOM 217 CB THR A 25 -58.637 24.539 16.287 1.00 48.28 C ATOM 218 OG1 THR A 25 -59.527 25.645 16.135 1.00 53.92 O ATOM 219 CG2 THR A 25 -57.319 24.846 15.576 1.00 48.74 C ATOM 220 HG1 THR A 25 -59.109 26.458 16.515 1.00 0.00 H ATOM 221 H THR A 25 -60.681 23.293 17.369 1.00 0.00 H ATOM 222 N GLN A 26 -57.902 21.764 14.446 1.00 47.24 N ATOM 223 CA GLN A 26 -56.954 20.656 14.302 1.00 49.81 C ATOM 224 C GLN A 26 -55.487 21.142 14.239 1.00 49.68 C ATOM 225 O GLN A 26 -55.172 22.054 13.494 1.00 46.77 O ATOM 226 CB GLN A 26 -57.288 19.847 13.052 1.00 48.11 C ATOM 227 CG GLN A 26 -58.727 19.376 13.007 1.00 47.26 C ATOM 228 CD GLN A 26 -59.021 18.333 14.069 1.00 50.21 C ATOM 229 OE1 GLN A 26 -58.329 17.302 14.163 1.00 49.64 O ATOM 230 NE2 GLN A 26 -60.044 18.588 14.881 1.00 49.62 N ATOM 231 HE22 GLN A 26 -60.594 19.463 14.765 1.00 0.00 H ATOM 232 HE21 GLN A 26 -60.293 17.912 15.631 1.00 0.00 H ATOM 233 H GLN A 26 -58.278 22.235 13.598 1.00 0.00 H ATOM 234 N THR A 27 -54.617 20.508 15.022 1.00 50.37 N ATOM 235 CA THR A 27 -53.175 20.698 14.912 1.00 50.76 C ATOM 236 C THR A 27 -52.517 19.419 14.386 1.00 50.89 C ATOM 237 O THR A 27 -52.520 18.392 15.062 1.00 50.81 O ATOM 238 CB THR A 27 -52.525 21.055 16.271 1.00 51.40 C ATOM 239 OG1 THR A 27 -53.141 22.225 16.815 1.00 52.69 O ATOM 240 CG2 THR A 27 -50.978 21.258 16.126 1.00 50.36 C ATOM 241 HG1 THR A 27 -54.107 22.056 16.950 1.00 0.00 H ATOM 242 H THR A 27 -54.980 19.851 15.741 1.00 0.00 H ATOM 243 N VAL A 28 -51.950 19.501 13.188 1.00 48.48 N ATOM 244 CA VAL A 28 -51.222 18.404 12.605 1.00 49.44 C ATOM 245 C VAL A 28 -49.715 18.667 12.617 1.00 50.06 C ATOM 246 O VAL A 28 -49.268 19.705 12.139 1.00 48.01 O ATOM 247 CB VAL A 28 -51.656 18.155 11.166 1.00 49.53 C ATOM 248 CG1 VAL A 28 -50.956 16.894 10.641 1.00 48.09 C ATOM 249 CG2 VAL A 28 -53.177 18.001 11.089 1.00 50.20 C ATOM 250 H VAL A 28 -52.035 20.388 12.652 1.00 0.00 H ATOM 251 N ASN A 29 -48.948 17.730 13.167 1.00 48.38 N ATOM 252 CA ASN A 29 -47.486 17.771 13.088 1.00 47.35 C ATOM 253 C ASN A 29 -46.968 16.658 12.194 1.00 49.05 C ATOM 254 O ASN A 29 -47.411 15.492 12.296 1.00 47.53 O ATOM 255 CB ASN A 29 -46.849 17.631 14.467 1.00 48.28 C ATOM 256 CG ASN A 29 -47.310 18.687 15.435 1.00 51.90 C ATOM 257 OD1 ASN A 29 -46.973 19.873 15.293 1.00 54.43 O ATOM 258 ND2 ASN A 29 -48.066 18.272 16.442 1.00 52.70 N ATOM 259 HD22 ASN A 29 -48.323 17.267 16.520 1.00 0.00 H ATOM 260 HD21 ASN A 29 -48.402 18.951 17.154 1.00 0.00 H ATOM 261 H ASN A 29 -49.402 16.941 13.670 1.00 0.00 H ATOM 262 N VAL A 30 -46.043 17.012 11.316 1.00 47.46 N ATOM 263 CA VAL A 30 -45.329 16.043 10.498 1.00 45.96 C ATOM 264 C VAL A 30 -43.878 15.965 10.946 1.00 46.96 C ATOM 265 O VAL A 30 -43.162 16.977 10.958 1.00 47.20 O ATOM 266 CB VAL A 30 -45.379 16.420 9.011 1.00 45.65 C ATOM 267 CG1 VAL A 30 -44.849 15.281 8.148 1.00 43.61 C ATOM 268 CG2 VAL A 30 -46.804 16.855 8.616 1.00 44.55 C ATOM 269 H VAL A 30 -45.818 18.021 11.206 1.00 0.00 H ATOM 270 N LEU A 31 -43.445 14.772 11.322 1.00 46.85 N ATOM 271 CA LEU A 31 -42.080 14.573 11.798 1.00 49.14 C ATOM 272 C LEU A 31 -41.260 13.798 10.789 1.00 49.24 C ATOM 273 O LEU A 31 -41.717 12.784 10.251 1.00 46.26 O ATOM 274 CB LEU A 31 -42.054 13.827 13.137 1.00 50.15 C ATOM 275 CG LEU A 31 -42.351 14.648 14.391 1.00 51.36 C ATOM 276 CD1 LEU A 31 -43.779 15.208 14.364 1.00 51.75 C ATOM 277 CD2 LEU A 31 -42.147 13.777 15.615 1.00 52.37 C ATOM 278 H LEU A 31 -44.092 13.959 11.277 1.00 0.00 H ATOM 279 N VAL A 32 -40.045 14.277 10.542 1.00 49.08 N ATOM 280 CA VAL A 32 -39.087 13.528 9.736 1.00 49.06 C ATOM 281 C VAL A 32 -37.899 13.145 10.606 1.00 51.30 C ATOM 282 O VAL A 32 -37.265 14.029 11.196 1.00 50.81 O ATOM 283 CB VAL A 32 -38.611 14.348 8.518 1.00 49.45 C ATOM 284 CG1 VAL A 32 -37.599 13.571 7.709 1.00 49.85 C ATOM 285 CG2 VAL A 32 -39.806 14.778 7.655 1.00 49.55 C ATOM 286 H VAL A 32 -39.772 15.202 10.930 1.00 0.00 H ATOM 287 N ASN A 33 -37.614 11.835 10.690 1.00 51.24 N ATOM 288 CA ASN A 33 -36.518 11.292 11.511 1.00 52.60 C ATOM 289 C ASN A 33 -36.644 11.782 12.954 1.00 53.49 C ATOM 290 O ASN A 33 -35.666 12.222 13.558 1.00 53.55 O ATOM 291 CB ASN A 33 -35.153 11.673 10.914 1.00 51.21 C ATOM 292 CG ASN A 33 -33.971 10.903 11.538 1.00 55.69 C ATOM 293 OD1 ASN A 33 -34.114 9.797 12.053 1.00 57.41 O ATOM 294 ND2 ASN A 33 -32.787 11.509 11.478 1.00 60.51 N ATOM 295 HD22 ASN A 33 -32.704 12.446 11.034 1.00 0.00 H ATOM 296 HD21 ASN A 33 -31.945 11.046 11.875 1.00 0.00 H ATOM 297 H ASN A 33 -38.198 11.168 10.146 1.00 0.00 H ATOM 298 N ASN A 34 -37.877 11.734 13.463 1.00 52.39 N ATOM 299 CA ASN A 34 -38.238 12.141 14.825 1.00 53.51 C ATOM 300 C ASN A 34 -38.137 13.656 15.098 1.00 53.04 C ATOM 301 O ASN A 34 -38.240 14.073 16.252 1.00 54.73 O ATOM 302 CB ASN A 34 -37.393 11.382 15.863 1.00 53.74 C ATOM 303 CG ASN A 34 -37.579 9.862 15.783 1.00 57.25 C ATOM 304 OD1 ASN A 34 -38.650 9.368 15.423 1.00 58.05 O ATOM 305 ND2 ASN A 34 -36.532 9.116 16.113 1.00 56.41 N ATOM 306 HD22 ASN A 34 -35.645 9.569 16.412 1.00 0.00 H ATOM 307 HD21 ASN A 34 -36.599 8.079 16.073 1.00 0.00 H ATOM 308 H ASN A 34 -38.638 11.382 12.848 1.00 0.00 H ATOM 309 N GLU A 35 -37.963 14.484 14.066 1.00 49.94 N ATOM 310 CA GLU A 35 -37.931 15.937 14.284 1.00 51.93 C ATOM 311 C GLU A 35 -39.120 16.645 13.615 1.00 50.08 C ATOM 312 O GLU A 35 -39.431 16.392 12.451 1.00 49.57 O ATOM 313 CB GLU A 35 -36.616 16.533 13.774 1.00 49.67 C ATOM 314 H GLU A 35 -37.850 14.100 13.106 1.00 0.00 H ATOM 315 N THR A 36 -39.788 17.528 14.343 1.00 48.39 N ATOM 316 CA THR A 36 -40.977 18.162 13.776 1.00 49.15 C ATOM 317 C THR A 36 -40.603 19.003 12.567 1.00 47.87 C ATOM 318 O THR A 36 -39.922 20.001 12.702 1.00 48.65 O ATOM 319 CB THR A 36 -41.699 19.029 14.803 1.00 51.60 C ATOM 320 OG1 THR A 36 -42.055 18.213 15.928 1.00 53.81 O ATOM 321 CG2 THR A 36 -42.971 19.639 14.185 1.00 48.75 C ATOM 322 HG1 THR A 36 -42.525 18.767 16.601 1.00 0.00 H ATOM 323 H THR A 36 -39.471 17.767 15.304 1.00 0.00 H ATOM 324 N ALA A 37 -41.029 18.567 11.387 1.00 47.37 N ATOM 325 CA ALA A 37 -40.670 19.223 10.139 1.00 46.39 C ATOM 326 C ALA A 37 -41.739 20.206 9.660 1.00 47.34 C ATOM 327 O ALA A 37 -41.423 21.207 9.001 1.00 49.25 O ATOM 328 CB ALA A 37 -40.403 18.188 9.061 1.00 47.27 C ATOM 329 H ALA A 37 -41.641 17.727 11.354 1.00 0.00 H ATOM 330 N ALA A 38 -42.991 19.938 9.999 1.00 45.78 N ATOM 331 CA ALA A 38 -44.097 20.781 9.547 1.00 46.45 C ATOM 332 C ALA A 38 -45.242 20.767 10.552 1.00 47.36 C ATOM 333 O ALA A 38 -45.431 19.794 11.272 1.00 47.39 O ATOM 334 CB ALA A 38 -44.578 20.328 8.190 1.00 46.34 C ATOM 335 H ALA A 38 -43.191 19.112 10.598 1.00 0.00 H ATOM 336 N THR A 39 -45.996 21.859 10.612 1.00 50.25 N ATOM 337 CA THR A 39 -47.141 21.955 11.511 1.00 49.79 C ATOM 338 C THR A 39 -48.295 22.650 10.815 1.00 48.45 C ATOM 339 O THR A 39 -48.144 23.758 10.348 1.00 49.86 O ATOM 340 CB THR A 39 -46.807 22.745 12.792 1.00 51.01 C ATOM 341 OG1 THR A 39 -45.688 22.147 13.467 1.00 50.77 O ATOM 342 CG2 THR A 39 -48.016 22.771 13.717 1.00 50.16 C ATOM 343 HG1 THR A 39 -45.911 21.214 13.710 1.00 0.00 H ATOM 344 H THR A 39 -45.764 22.668 10.001 1.00 0.00 H ATOM 345 N PHE A 40 -49.453 22.012 10.732 1.00 48.30 N ATOM 346 CA PHE A 40 -50.607 22.695 10.167 1.00 48.44 C ATOM 347 C PHE A 40 -51.619 22.959 11.259 1.00 49.43 C ATOM 348 O PHE A 40 -51.647 22.268 12.274 1.00 50.14 O ATOM 349 CB PHE A 40 -51.234 21.879 9.048 1.00 49.34 C ATOM 350 CG PHE A 40 -50.269 21.500 7.957 1.00 49.10 C ATOM 351 CD1 PHE A 40 -49.393 22.447 7.418 1.00 47.95 C ATOM 352 CD2 PHE A 40 -50.228 20.189 7.473 1.00 46.43 C ATOM 353 CE1 PHE A 40 -48.524 22.109 6.403 1.00 47.36 C ATOM 354 CE2 PHE A 40 -49.342 19.844 6.462 1.00 46.68 C ATOM 355 CZ PHE A 40 -48.490 20.799 5.926 1.00 49.10 C ATOM 356 H PHE A 40 -49.537 21.031 11.068 1.00 0.00 H ATOM 357 N SER A 41 -52.466 23.951 11.043 1.00 47.56 N ATOM 358 CA SER A 41 -53.438 24.333 12.042 1.00 49.18 C ATOM 359 C SER A 41 -54.631 24.976 11.359 1.00 49.59 C ATOM 360 O SER A 41 -54.458 25.810 10.466 1.00 47.19 O ATOM 361 CB SER A 41 -52.831 25.306 13.048 1.00 54.41 C ATOM 362 OG SER A 41 -53.675 25.426 14.176 1.00 56.70 O ATOM 363 HG SER A 41 -53.272 26.059 14.822 1.00 0.00 H ATOM 364 H SER A 41 -52.432 24.465 10.139 1.00 0.00 H ATOM 365 N GLY A 42 -55.832 24.573 11.769 1.00 48.90 N ATOM 366 CA GLY A 42 -57.048 25.091 11.178 1.00 48.10 C ATOM 367 C GLY A 42 -58.316 24.440 11.700 1.00 47.58 C ATOM 368 O GLY A 42 -58.289 23.387 12.343 1.00 49.12 O ATOM 369 H GLY A 42 -55.898 23.869 12.532 1.00 0.00 H ATOM 370 N GLN A 43 -59.439 25.074 11.406 1.00 46.80 N ATOM 371 CA GLN A 43 -60.739 24.560 11.778 1.00 48.28 C ATOM 372 C GLN A 43 -61.661 24.693 10.594 1.00 48.89 C ATOM 373 O GLN A 43 -61.701 25.729 9.922 1.00 48.75 O ATOM 374 CB GLN A 43 -61.330 25.287 12.994 1.00 48.87 C ATOM 375 CG GLN A 43 -62.642 24.650 13.499 1.00 49.23 C ATOM 376 CD GLN A 43 -63.869 25.086 12.696 1.00 49.09 C ATOM 377 OE1 GLN A 43 -63.932 26.217 12.198 1.00 47.92 O ATOM 378 NE2 GLN A 43 -64.842 24.193 12.563 1.00 47.81 N ATOM 379 HE22 GLN A 43 -64.748 23.253 12.998 1.00 0.00 H ATOM 380 HE21 GLN A 43 -65.698 24.433 12.024 1.00 0.00 H ATOM 381 H GLN A 43 -59.385 25.975 10.889 1.00 0.00 H ATOM 382 N SER A 44 -62.427 23.634 10.378 1.00 47.49 N ATOM 383 CA SER A 44 -63.341 23.524 9.260 1.00 47.20 C ATOM 384 C SER A 44 -64.218 22.295 9.449 1.00 47.02 C ATOM 385 O SER A 44 -63.762 21.296 10.028 1.00 47.69 O ATOM 386 CB SER A 44 -62.573 23.433 7.948 1.00 46.44 C ATOM 387 OG SER A 44 -63.456 23.280 6.855 1.00 47.62 O ATOM 388 HG SER A 44 -62.934 23.223 6.016 1.00 0.00 H ATOM 389 H SER A 44 -62.369 22.840 11.047 1.00 0.00 H ATOM 390 N THR A 45 -65.469 22.374 8.993 1.00 46.82 N ATOM 391 CA THR A 45 -66.332 21.199 8.909 1.00 46.95 C ATOM 392 C THR A 45 -66.689 20.947 7.453 1.00 47.10 C ATOM 393 O THR A 45 -67.635 20.239 7.177 1.00 48.40 O ATOM 394 CB THR A 45 -67.659 21.353 9.727 1.00 48.49 C ATOM 395 OG1 THR A 45 -68.383 22.512 9.267 1.00 44.71 O ATOM 396 CG2 THR A 45 -67.359 21.484 11.222 1.00 48.70 C ATOM 397 HG1 THR A 45 -69.220 22.604 9.787 1.00 0.00 H ATOM 398 H THR A 45 -65.840 23.297 8.689 1.00 0.00 H ATOM 399 N ASN A 46 -65.966 21.567 6.526 1.00 47.68 N ATOM 400 CA ASN A 46 -66.228 21.355 5.100 1.00 48.01 C ATOM 401 C ASN A 46 -64.999 20.899 4.309 1.00 46.68 C ATOM 402 O ASN A 46 -64.877 21.213 3.124 1.00 46.44 O ATOM 403 CB ASN A 46 -66.790 22.635 4.444 1.00 49.25 C ATOM 404 CG ASN A 46 -67.630 22.329 3.200 1.00 49.48 C ATOM 405 OD1 ASN A 46 -68.328 21.321 3.169 1.00 49.84 O ATOM 406 ND2 ASN A 46 -67.530 23.160 2.167 1.00 47.83 N ATOM 407 HD22 ASN A 46 -66.926 24.004 2.235 1.00 0.00 H ATOM 408 HD21 ASN A 46 -68.055 22.966 1.291 1.00 0.00 H ATOM 409 H ASN A 46 -65.204 22.212 6.817 1.00 0.00 H ATOM 410 N ASN A 47 -64.115 20.134 4.959 1.00 47.29 N ATOM 411 CA ASN A 47 -62.959 19.532 4.300 1.00 44.07 C ATOM 412 C ASN A 47 -61.947 20.545 3.783 1.00 46.86 C ATOM 413 O ASN A 47 -61.249 20.291 2.798 1.00 48.24 O ATOM 414 CB ASN A 47 -63.402 18.639 3.141 1.00 45.23 C ATOM 415 CG ASN A 47 -62.470 17.452 2.946 1.00 44.36 C ATOM 416 OD1 ASN A 47 -62.082 16.825 3.916 1.00 44.64 O ATOM 417 ND2 ASN A 47 -62.061 17.194 1.709 1.00 43.18 N ATOM 418 HD22 ASN A 47 -62.422 17.758 0.914 1.00 0.00 H ATOM 419 HD21 ASN A 47 -61.380 16.428 1.536 1.00 0.00 H ATOM 420 H ASN A 47 -64.257 19.961 5.975 1.00 0.00 H ATOM 421 N ALA A 48 -61.857 21.697 4.442 1.00 48.24 N ATOM 422 CA ALA A 48 -60.913 22.730 4.014 1.00 49.43 C ATOM 423 C ALA A 48 -59.482 22.246 4.182 1.00 46.91 C ATOM 424 O ALA A 48 -59.146 21.638 5.187 1.00 46.30 O ATOM 425 CB ALA A 48 -61.127 24.043 4.797 1.00 47.71 C ATOM 426 H ALA A 48 -62.464 21.865 5.270 1.00 0.00 H ATOM 427 N VAL A 49 -58.654 22.501 3.180 1.00 47.54 N ATOM 428 CA VAL A 49 -57.214 22.274 3.307 1.00 47.52 C ATOM 429 C VAL A 49 -56.640 23.202 4.368 1.00 47.44 C ATOM 430 O VAL A 49 -56.657 24.411 4.195 1.00 47.74 O ATOM 431 CB VAL A 49 -56.500 22.496 1.974 1.00 47.95 C ATOM 432 CG1 VAL A 49 -54.948 22.468 2.161 1.00 46.77 C ATOM 433 CG2 VAL A 49 -56.974 21.444 0.953 1.00 47.76 C ATOM 434 H VAL A 49 -59.035 22.870 2.285 1.00 0.00 H ATOM 435 N ILE A 50 -56.167 22.648 5.480 1.00 46.71 N ATOM 436 CA ILE A 50 -55.602 23.478 6.536 1.00 48.72 C ATOM 437 C ILE A 50 -54.062 23.551 6.467 1.00 49.04 C ATOM 438 O ILE A 50 -53.429 24.270 7.246 1.00 49.62 O ATOM 439 CB ILE A 50 -56.028 23.005 7.949 1.00 49.22 C ATOM 440 CG1 ILE A 50 -55.481 21.606 8.286 1.00 48.05 C ATOM 441 CG2 ILE A 50 -57.549 23.063 8.088 1.00 46.15 C ATOM 442 CD1 ILE A 50 -55.250 21.364 9.796 1.00 47.36 C ATOM 443 H ILE A 50 -56.200 21.615 5.597 1.00 0.00 H ATOM 444 N GLY A 51 -53.474 22.857 5.504 1.00 46.99 N ATOM 445 CA GLY A 51 -52.045 22.958 5.268 1.00 46.81 C ATOM 446 C GLY A 51 -51.587 22.040 4.149 1.00 49.88 C ATOM 447 O GLY A 51 -52.177 20.960 3.909 1.00 47.75 O ATOM 448 H GLY A 51 -54.047 22.228 4.906 1.00 0.00 H ATOM 449 N THR A 52 -50.546 22.469 3.447 1.00 48.93 N ATOM 450 CA THR A 52 -49.925 21.654 2.414 1.00 50.18 C ATOM 451 C THR A 52 -48.458 22.051 2.265 1.00 52.09 C ATOM 452 O THR A 52 -48.107 23.244 2.307 1.00 53.55 O ATOM 453 CB THR A 52 -50.658 21.785 1.048 1.00 52.81 C ATOM 454 OG1 THR A 52 -50.219 20.746 0.156 1.00 53.72 O ATOM 455 CG2 THR A 52 -50.412 23.171 0.392 1.00 52.85 C ATOM 456 HG1 THR A 52 -50.424 19.863 0.554 1.00 0.00 H ATOM 457 H THR A 52 -50.162 23.416 3.641 1.00 0.00 H ATOM 458 N GLN A 53 -47.604 21.055 2.116 1.00 49.09 N ATOM 459 CA GLN A 53 -46.197 21.325 1.918 1.00 50.88 C ATOM 460 C GLN A 53 -45.389 20.157 1.402 1.00 49.99 C ATOM 461 O GLN A 53 -45.764 18.985 1.546 1.00 47.54 O ATOM 462 CB GLN A 53 -45.570 21.809 3.206 1.00 52.55 C ATOM 463 CG GLN A 53 -44.672 23.040 2.957 1.00 61.32 C ATOM 464 CD GLN A 53 -43.469 22.991 3.829 1.00 62.80 C ATOM 465 OE1 GLN A 53 -43.593 22.817 5.046 1.00 62.83 O ATOM 466 NE2 GLN A 53 -42.286 23.100 3.230 1.00 64.51 N ATOM 467 HE22 GLN A 53 -42.235 23.246 2.202 1.00 0.00 H ATOM 468 HE21 GLN A 53 -41.412 23.039 3.790 1.00 0.00 H ATOM 469 H GLN A 53 -47.944 20.073 2.141 1.00 0.00 H ATOM 470 N VAL A 54 -44.259 20.490 0.803 1.00 50.11 N ATOM 471 CA VAL A 54 -43.321 19.481 0.336 1.00 48.87 C ATOM 472 C VAL A 54 -42.205 19.319 1.345 1.00 48.60 C ATOM 473 O VAL A 54 -41.614 20.305 1.790 1.00 46.33 O ATOM 474 CB VAL A 54 -42.750 19.858 -1.037 1.00 50.25 C ATOM 475 CG1 VAL A 54 -41.694 18.854 -1.489 1.00 50.21 C ATOM 476 CG2 VAL A 54 -43.893 19.968 -2.059 1.00 51.94 C ATOM 477 H VAL A 54 -44.035 21.496 0.662 1.00 0.00 H ATOM 478 N LEU A 55 -41.924 18.070 1.716 1.00 46.28 N ATOM 479 CA LEU A 55 -40.817 17.756 2.624 1.00 45.42 C ATOM 480 C LEU A 55 -39.885 16.722 2.008 1.00 45.75 C ATOM 481 O LEU A 55 -40.214 16.110 0.996 1.00 46.26 O ATOM 482 CB LEU A 55 -41.352 17.248 3.970 1.00 45.57 C ATOM 483 CG LEU A 55 -42.256 18.241 4.725 1.00 47.67 C ATOM 484 CD1 LEU A 55 -42.976 17.577 5.907 1.00 44.16 C ATOM 485 CD2 LEU A 55 -41.414 19.442 5.197 1.00 46.34 C ATOM 486 H LEU A 55 -42.509 17.293 1.349 1.00 0.00 H ATOM 487 N ASN A 56 -38.714 16.540 2.616 1.00 47.11 N ATOM 488 CA ASN A 56 -37.769 15.525 2.180 1.00 46.04 C ATOM 489 C ASN A 56 -37.686 14.506 3.289 1.00 47.22 C ATOM 490 O ASN A 56 -37.626 14.859 4.465 1.00 47.22 O ATOM 491 CB ASN A 56 -36.379 16.106 1.874 1.00 48.05 C ATOM 492 CG ASN A 56 -35.437 15.069 1.234 1.00 49.58 C ATOM 493 OD1 ASN A 56 -34.963 14.129 1.896 1.00 48.52 O ATOM 494 ND2 ASN A 56 -35.192 15.221 -0.065 1.00 49.52 N ATOM 495 HD22 ASN A 56 -35.608 16.021 -0.582 1.00 0.00 H ATOM 496 HD21 ASN A 56 -34.584 14.539 -0.563 1.00 0.00 H ATOM 497 H ASN A 56 -38.468 17.142 3.427 1.00 0.00 H ATOM 498 N SER A 57 -37.706 13.236 2.913 1.00 47.18 N ATOM 499 CA SER A 57 -37.751 12.153 3.887 1.00 48.50 C ATOM 500 C SER A 57 -36.414 11.928 4.599 1.00 50.62 C ATOM 501 O SER A 57 -36.353 11.182 5.591 1.00 50.45 O ATOM 502 CB SER A 57 -38.175 10.857 3.200 1.00 47.29 C ATOM 503 OG SER A 57 -37.241 10.535 2.181 1.00 49.25 O ATOM 504 HG SER A 57 -37.516 9.695 1.736 1.00 0.00 H ATOM 505 H SER A 57 -37.689 13.006 1.899 1.00 0.00 H ATOM 506 N GLY A 58 -35.349 12.530 4.071 1.00 49.22 N ATOM 507 CA GLY A 58 -34.056 12.476 4.715 1.00 50.34 C ATOM 508 C GLY A 58 -33.443 11.085 4.679 1.00 52.79 C ATOM 509 O GLY A 58 -33.939 10.178 3.989 1.00 51.61 O ATOM 510 H GLY A 58 -35.450 13.050 3.176 1.00 0.00 H ATOM 511 N SER A 59 -32.364 10.911 5.437 1.00 53.59 N ATOM 512 CA SER A 59 -31.587 9.675 5.395 1.00 53.69 C ATOM 513 C SER A 59 -32.361 8.453 5.943 1.00 54.14 C ATOM 514 O SER A 59 -32.274 7.353 5.380 1.00 54.07 O ATOM 515 CB SER A 59 -30.273 9.876 6.156 1.00 54.37 C ATOM 516 OG SER A 59 -30.488 9.802 7.552 1.00 58.75 O ATOM 517 HG SER A 59 -29.628 9.934 8.025 1.00 0.00 H ATOM 518 H SER A 59 -32.066 11.675 6.076 1.00 0.00 H ATOM 519 N SER A 60 -33.150 8.636 7.004 1.00 54.12 N ATOM 520 CA SER A 60 -33.877 7.504 7.617 1.00 53.93 C ATOM 521 C SER A 60 -35.140 7.098 6.843 1.00 52.02 C ATOM 522 O SER A 60 -35.596 5.951 6.903 1.00 53.92 O ATOM 523 CB SER A 60 -34.264 7.843 9.070 1.00 55.63 C ATOM 524 OG SER A 60 -35.392 8.731 9.152 1.00 52.75 O ATOM 525 HG SER A 60 -35.177 9.579 8.689 1.00 0.00 H ATOM 526 H SER A 60 -33.255 9.590 7.406 1.00 0.00 H ATOM 527 N GLY A 61 -35.730 8.058 6.150 1.00 51.90 N ATOM 528 CA GLY A 61 -36.956 7.827 5.426 1.00 49.52 C ATOM 529 C GLY A 61 -38.160 7.766 6.340 1.00 48.07 C ATOM 530 O GLY A 61 -39.268 7.574 5.864 1.00 47.92 O ATOM 531 H GLY A 61 -35.299 9.004 6.127 1.00 0.00 H ATOM 532 N LYS A 62 -37.954 7.948 7.643 1.00 48.16 N ATOM 533 CA LYS A 62 -39.045 7.833 8.612 1.00 49.39 C ATOM 534 C LYS A 62 -39.923 9.111 8.724 1.00 49.13 C ATOM 535 O LYS A 62 -39.462 10.202 9.075 1.00 47.70 O ATOM 536 CB LYS A 62 -38.495 7.477 9.995 1.00 48.31 C ATOM 537 CG LYS A 62 -39.598 7.296 11.019 1.00 51.38 C ATOM 538 CD LYS A 62 -39.034 7.158 12.424 1.00 54.51 C ATOM 539 CE LYS A 62 -40.181 6.863 13.410 1.00 56.48 C ATOM 540 NZ LYS A 62 -39.693 6.819 14.824 1.00 58.13 N ATOM 541 HZ1 LYS A 62 -38.977 6.071 14.919 1.00 0.00 H ATOM 542 HZ2 LYS A 62 -39.273 7.737 15.073 1.00 0.00 H ATOM 543 HZ3 LYS A 62 -40.492 6.618 15.459 1.00 0.00 H ATOM 544 H LYS A 62 -36.997 8.177 7.979 1.00 0.00 H ATOM 545 N VAL A 63 -41.202 8.963 8.426 1.00 47.13 N ATOM 546 CA VAL A 63 -42.123 10.084 8.523 1.00 44.71 C ATOM 547 C VAL A 63 -43.223 9.732 9.510 1.00 46.71 C ATOM 548 O VAL A 63 -43.813 8.633 9.438 1.00 47.96 O ATOM 549 CB VAL A 63 -42.720 10.419 7.164 1.00 44.07 C ATOM 550 CG1 VAL A 63 -43.673 11.627 7.263 1.00 41.88 C ATOM 551 CG2 VAL A 63 -41.616 10.649 6.134 1.00 44.24 C ATOM 552 H VAL A 63 -41.554 8.034 8.119 1.00 0.00 H ATOM 553 N GLN A 64 -43.498 10.624 10.448 1.00 44.50 N ATOM 554 CA GLN A 64 -44.585 10.388 11.382 1.00 46.61 C ATOM 555 C GLN A 64 -45.601 11.536 11.421 1.00 48.09 C ATOM 556 O GLN A 64 -45.226 12.726 11.510 1.00 44.21 O ATOM 557 CB GLN A 64 -44.050 10.134 12.789 1.00 47.53 C ATOM 558 CG GLN A 64 -45.168 10.113 13.822 1.00 49.34 C ATOM 559 CD GLN A 64 -44.806 9.369 15.085 1.00 52.40 C ATOM 560 OE1 GLN A 64 -43.632 9.286 15.460 1.00 52.88 O ATOM 561 NE2 GLN A 64 -45.825 8.807 15.753 1.00 52.26 N ATOM 562 HE22 GLN A 64 -46.797 8.905 15.397 1.00 0.00 H ATOM 563 HE21 GLN A 64 -45.643 8.274 16.627 1.00 0.00 H ATOM 564 H GLN A 64 -42.935 11.496 10.517 1.00 0.00 H ATOM 565 N VAL A 65 -46.888 11.166 11.338 1.00 46.42 N ATOM 566 CA VAL A 65 -47.975 12.149 11.429 1.00 46.47 C ATOM 567 C VAL A 65 -48.629 12.081 12.807 1.00 47.40 C ATOM 568 O VAL A 65 -48.920 10.996 13.310 1.00 48.10 O ATOM 569 CB VAL A 65 -49.052 11.921 10.340 1.00 46.24 C ATOM 570 CG1 VAL A 65 -50.228 12.873 10.537 1.00 44.41 C ATOM 571 CG2 VAL A 65 -48.465 12.048 8.939 1.00 44.94 C ATOM 572 H VAL A 65 -47.121 10.161 11.206 1.00 0.00 H ATOM 573 N GLN A 66 -48.841 13.238 13.417 1.00 48.06 N ATOM 574 CA GLN A 66 -49.497 13.346 14.714 1.00 48.44 C ATOM 575 C GLN A 66 -50.599 14.377 14.627 1.00 50.54 C ATOM 576 O GLN A 66 -50.480 15.365 13.902 1.00 50.11 O ATOM 577 CB GLN A 66 -48.499 13.716 15.813 1.00 49.85 C ATOM 578 CG GLN A 66 -47.420 12.643 16.008 1.00 53.62 C ATOM 579 CD GLN A 66 -46.499 12.907 17.192 1.00 55.20 C ATOM 580 OE1 GLN A 66 -46.081 14.038 17.436 1.00 56.02 O ATOM 581 NE2 GLN A 66 -46.194 11.853 17.943 1.00 60.44 N ATOM 582 HE22 GLN A 66 -46.570 10.915 17.699 1.00 0.00 H ATOM 583 HE21 GLN A 66 -45.579 11.967 18.774 1.00 0.00 H ATOM 584 H GLN A 66 -48.524 14.111 12.948 1.00 0.00 H ATOM 585 N VAL A 67 -51.703 14.117 15.326 1.00 51.55 N ATOM 586 CA VAL A 67 -52.842 15.014 15.313 1.00 51.55 C ATOM 587 C VAL A 67 -53.271 15.284 16.739 1.00 53.35 C ATOM 588 O VAL A 67 -53.307 14.383 17.572 1.00 52.23 O ATOM 589 CB VAL A 67 -54.019 14.439 14.507 1.00 49.86 C ATOM 590 CG1 VAL A 67 -55.166 15.425 14.454 1.00 48.13 C ATOM 591 CG2 VAL A 67 -53.582 14.099 13.101 1.00 49.15 C ATOM 592 H VAL A 67 -51.749 13.248 15.896 1.00 0.00 H ATOM 593 N SER A 68 -53.572 16.546 17.020 1.00 54.85 N ATOM 594 CA SER A 68 -54.068 16.924 18.329 1.00 57.65 C ATOM 595 C SER A 68 -55.105 18.042 18.232 1.00 57.92 C ATOM 596 O SER A 68 -55.133 18.821 17.273 1.00 56.22 O ATOM 597 CB SER A 68 -52.909 17.340 19.241 1.00 60.51 C ATOM 598 OG SER A 68 -52.132 18.355 18.633 1.00 57.77 O ATOM 599 HG SER A 68 -51.762 18.019 17.779 1.00 0.00 H ATOM 600 H SER A 68 -53.450 17.276 16.289 1.00 0.00 H ATOM 601 N VAL A 69 -55.976 18.114 19.223 1.00 61.97 N ATOM 602 CA VAL A 69 -56.970 19.173 19.256 1.00 63.82 C ATOM 603 C VAL A 69 -56.856 19.838 20.600 1.00 68.87 C ATOM 604 O VAL A 69 -57.038 19.185 21.628 1.00 72.03 O ATOM 605 CB VAL A 69 -58.401 18.646 19.033 1.00 61.22 C ATOM 606 CG1 VAL A 69 -59.425 19.802 19.116 1.00 60.66 C ATOM 607 CG2 VAL A 69 -58.480 17.954 17.695 1.00 57.84 C ATOM 608 H VAL A 69 -55.950 17.407 19.985 1.00 0.00 H ATOM 609 N ASN A 70 -56.511 21.123 20.580 1.00 71.55 N ATOM 610 CA ASN A 70 -56.311 21.882 21.798 1.00 78.78 C ATOM 611 C ASN A 70 -55.385 21.108 22.694 1.00 81.14 C ATOM 612 O ASN A 70 -55.623 20.948 23.883 1.00 85.60 O ATOM 613 CB ASN A 70 -57.647 22.165 22.484 1.00 82.17 C ATOM 614 CG ASN A 70 -58.577 22.977 21.608 1.00 79.18 C ATOM 615 OD1 ASN A 70 -58.136 23.919 20.934 1.00 79.07 O ATOM 616 ND2 ASN A 70 -59.866 22.605 21.589 1.00 78.11 N ATOM 617 HD22 ASN A 70 -60.186 21.807 22.174 1.00 0.00 H ATOM 618 HD21 ASN A 70 -60.546 23.115 20.989 1.00 0.00 H ATOM 619 H ASN A 70 -56.381 21.596 19.663 1.00 0.00 H ATOM 620 N GLY A 71 -54.334 20.591 22.083 1.00 79.22 N ATOM 621 CA GLY A 71 -53.391 19.756 22.789 1.00 84.14 C ATOM 622 C GLY A 71 -54.053 18.522 23.373 1.00 84.45 C ATOM 623 O GLY A 71 -54.048 18.323 24.586 1.00 90.14 O ATOM 624 H GLY A 71 -54.183 20.789 21.073 1.00 0.00 H ATOM 625 N ARG A 72 -54.635 17.696 22.517 1.00 75.82 N ATOM 626 CA ARG A 72 -55.098 16.377 22.927 1.00 72.26 C ATOM 627 C ARG A 72 -54.938 15.514 21.710 1.00 63.67 C ATOM 628 O ARG A 72 -55.551 15.775 20.694 1.00 62.35 O ATOM 629 CB ARG A 72 -56.548 16.391 23.416 1.00 76.19 C ATOM 630 H ARG A 72 -54.764 17.996 21.530 1.00 0.00 H ATOM 631 N PRO A 73 -54.078 14.502 21.790 1.00 65.40 N ATOM 632 CA PRO A 73 -53.848 13.648 20.626 1.00 62.91 C ATOM 633 C PRO A 73 -55.141 12.923 20.223 1.00 58.67 C ATOM 634 O PRO A 73 -55.808 12.340 21.067 1.00 58.73 O ATOM 635 CB PRO A 73 -52.773 12.669 21.114 1.00 65.50 C ATOM 636 CG PRO A 73 -52.215 13.296 22.363 1.00 71.12 C ATOM 637 CD PRO A 73 -53.361 14.015 22.971 1.00 74.31 C ATOM 638 N SER A 74 -55.501 13.059 18.953 1.00 54.08 N ATOM 639 CA SER A 74 -56.572 12.305 18.353 1.00 51.55 C ATOM 640 C SER A 74 -56.155 10.842 18.179 1.00 52.50 C ATOM 641 O SER A 74 -54.961 10.524 18.064 1.00 49.20 O ATOM 642 CB SER A 74 -56.952 12.902 17.004 1.00 49.96 C ATOM 643 OG SER A 74 -57.324 14.260 17.151 1.00 52.43 O ATOM 644 HG SER A 74 -57.567 14.632 16.266 1.00 0.00 H ATOM 645 H SER A 74 -54.985 13.743 18.363 1.00 0.00 H ATOM 646 N ASP A 75 -57.142 9.951 18.149 1.00 50.02 N ATOM 647 CA ASP A 75 -56.856 8.553 17.859 1.00 48.55 C ATOM 648 C ASP A 75 -56.635 8.409 16.363 1.00 47.47 C ATOM 649 O ASP A 75 -57.392 8.946 15.566 1.00 48.11 O ATOM 650 CB ASP A 75 -57.995 7.660 18.336 1.00 47.74 C ATOM 651 CG ASP A 75 -57.721 6.182 18.106 1.00 51.43 C ATOM 652 OD1 ASP A 75 -56.655 5.679 18.534 1.00 52.24 O ATOM 653 OD2 ASP A 75 -58.586 5.529 17.494 1.00 51.63 O ATOM 654 H ASP A 75 -58.120 10.253 18.333 1.00 0.00 H ATOM 655 N LEU A 76 -55.606 7.677 15.973 1.00 46.90 N ATOM 656 CA LEU A 76 -55.250 7.635 14.560 1.00 47.80 C ATOM 657 C LEU A 76 -55.492 6.295 13.891 1.00 46.40 C ATOM 658 O LEU A 76 -55.255 5.250 14.486 1.00 47.94 O ATOM 659 CB LEU A 76 -53.772 7.989 14.372 1.00 45.61 C ATOM 660 CG LEU A 76 -53.239 9.240 15.069 1.00 47.35 C ATOM 661 CD1 LEU A 76 -51.734 9.329 14.844 1.00 46.88 C ATOM 662 CD2 LEU A 76 -53.957 10.481 14.574 1.00 43.65 C ATOM 663 H LEU A 76 -55.055 7.135 16.669 1.00 0.00 H ATOM 664 N VAL A 77 -55.913 6.345 12.634 1.00 43.78 N ATOM 665 CA VAL A 77 -55.909 5.171 11.769 1.00 44.90 C ATOM 666 C VAL A 77 -55.131 5.501 10.520 1.00 44.60 C ATOM 667 O VAL A 77 -55.179 6.636 10.024 1.00 44.97 O ATOM 668 CB VAL A 77 -57.335 4.699 11.359 1.00 45.50 C ATOM 669 CG1 VAL A 77 -58.006 4.056 12.510 1.00 48.27 C ATOM 670 CG2 VAL A 77 -58.176 5.851 10.856 1.00 43.95 C ATOM 671 H VAL A 77 -56.257 7.250 12.254 1.00 0.00 H ATOM 672 N SER A 78 -54.422 4.518 9.994 1.00 42.93 N ATOM 673 CA SER A 78 -53.592 4.776 8.834 1.00 44.04 C ATOM 674 C SER A 78 -53.374 3.575 7.964 1.00 44.08 C ATOM 675 O SER A 78 -53.543 2.435 8.387 1.00 42.11 O ATOM 676 CB SER A 78 -52.218 5.346 9.252 1.00 43.83 C ATOM 677 OG SER A 78 -51.542 4.543 10.205 1.00 44.22 O ATOM 678 HG SER A 78 -51.388 3.642 9.825 1.00 0.00 H ATOM 679 H SER A 78 -54.459 3.565 10.410 1.00 0.00 H ATOM 680 N ALA A 79 -52.982 3.855 6.731 1.00 44.28 N ATOM 681 CA ALA A 79 -52.497 2.808 5.848 1.00 45.13 C ATOM 682 C ALA A 79 -51.654 3.414 4.730 1.00 43.89 C ATOM 683 O ALA A 79 -51.710 4.617 4.472 1.00 42.49 O ATOM 684 CB ALA A 79 -53.645 2.021 5.282 1.00 40.12 C ATOM 685 H ALA A 79 -53.022 4.837 6.390 1.00 0.00 H ATOM 686 N GLN A 80 -50.893 2.570 4.049 1.00 41.36 N ATOM 687 CA GLN A 80 -50.200 3.011 2.845 1.00 43.57 C ATOM 688 C GLN A 80 -50.671 2.156 1.681 1.00 42.28 C ATOM 689 O GLN A 80 -50.901 0.973 1.858 1.00 42.50 O ATOM 690 CB GLN A 80 -48.677 2.930 3.029 1.00 43.31 C ATOM 691 CG GLN A 80 -47.876 3.081 1.741 1.00 43.18 C ATOM 692 CD GLN A 80 -46.384 3.039 1.986 1.00 46.51 C ATOM 693 OE1 GLN A 80 -45.935 2.970 3.137 1.00 46.18 O ATOM 694 NE2 GLN A 80 -45.600 3.082 0.904 1.00 45.14 N ATOM 695 HE22 GLN A 80 -46.024 3.140 -0.044 1.00 0.00 H ATOM 696 HE21 GLN A 80 -44.566 3.058 1.010 1.00 0.00 H ATOM 697 H GLN A 80 -50.790 1.588 4.375 1.00 0.00 H ATOM 698 N VAL A 81 -50.838 2.759 0.510 1.00 41.88 N ATOM 699 CA VAL A 81 -51.316 2.050 -0.667 1.00 42.09 C ATOM 700 C VAL A 81 -50.489 2.503 -1.862 1.00 44.23 C ATOM 701 O VAL A 81 -50.170 3.708 -2.000 1.00 44.60 O ATOM 702 CB VAL A 81 -52.876 2.301 -0.900 1.00 43.81 C ATOM 703 CG1 VAL A 81 -53.187 3.727 -0.737 1.00 47.90 C ATOM 704 CG2 VAL A 81 -53.325 1.842 -2.272 1.00 42.69 C ATOM 705 H VAL A 81 -50.620 3.773 0.431 1.00 0.00 H ATOM 706 N ILE A 82 -50.110 1.549 -2.706 1.00 42.45 N ATOM 707 CA ILE A 82 -49.245 1.800 -3.854 1.00 42.69 C ATOM 708 C ILE A 82 -49.924 1.387 -5.147 1.00 44.67 C ATOM 709 O ILE A 82 -50.416 0.257 -5.256 1.00 46.04 O ATOM 710 CB ILE A 82 -47.910 1.024 -3.755 1.00 42.80 C ATOM 711 CG1 ILE A 82 -47.258 1.225 -2.389 1.00 43.78 C ATOM 712 CG2 ILE A 82 -46.980 1.437 -4.874 1.00 43.98 C ATOM 713 CD1 ILE A 82 -45.834 0.601 -2.265 1.00 42.47 C ATOM 714 H ILE A 82 -50.445 0.579 -2.541 1.00 0.00 H ATOM 715 N LEU A 83 -49.928 2.274 -6.139 1.00 45.68 N ATOM 716 CA LEU A 83 -50.616 1.999 -7.410 1.00 44.98 C ATOM 717 C LEU A 83 -49.593 1.833 -8.513 1.00 44.90 C ATOM 718 O LEU A 83 -48.580 2.541 -8.526 1.00 44.04 O ATOM 719 CB LEU A 83 -51.605 3.124 -7.769 1.00 43.43 C ATOM 720 CG LEU A 83 -52.704 3.337 -6.748 1.00 45.98 C ATOM 721 CD1 LEU A 83 -53.733 4.399 -7.214 1.00 47.02 C ATOM 722 CD2 LEU A 83 -53.403 1.984 -6.496 1.00 44.63 C ATOM 723 H LEU A 83 -49.434 3.181 -6.013 1.00 0.00 H ATOM 724 N THR A 84 -49.881 0.906 -9.427 1.00 43.68 N ATOM 725 CA THR A 84 -48.963 0.414 -10.467 1.00 44.21 C ATOM 726 C THR A 84 -47.467 0.416 -10.061 1.00 45.26 C ATOM 727 O THR A 84 -46.588 0.794 -10.842 1.00 45.28 O ATOM 728 CB THR A 84 -49.179 1.195 -11.814 1.00 45.67 C ATOM 729 OG1 THR A 84 -48.294 0.692 -12.822 1.00 46.54 O ATOM 730 CG2 THR A 84 -48.984 2.701 -11.663 1.00 45.67 C ATOM 731 HG1 THR A 84 -47.357 0.809 -12.525 1.00 0.00 H ATOM 732 H THR A 84 -50.836 0.495 -9.403 1.00 0.00 H ATOM 733 N ASN A 85 -47.201 -0.046 -8.839 1.00 43.64 N ATOM 734 CA ASN A 85 -45.843 -0.224 -8.327 1.00 45.79 C ATOM 735 C ASN A 85 -45.017 1.059 -8.322 1.00 46.53 C ATOM 736 O ASN A 85 -43.809 0.999 -8.278 1.00 46.56 O ATOM 737 CB ASN A 85 -45.088 -1.293 -9.135 1.00 43.03 C ATOM 738 CG ASN A 85 -43.899 -1.847 -8.389 1.00 44.97 C ATOM 739 OD1 ASN A 85 -43.971 -2.109 -7.185 1.00 43.98 O ATOM 740 ND2 ASN A 85 -42.763 -1.977 -9.091 1.00 47.17 N ATOM 741 HD22 ASN A 85 -42.749 -1.745 -10.105 1.00 0.00 H ATOM 742 HD21 ASN A 85 -41.897 -2.310 -8.622 1.00 0.00 H ATOM 743 H ASN A 85 -47.999 -0.292 -8.219 1.00 0.00 H ATOM 744 N GLU A 86 -45.679 2.216 -8.348 1.00 47.84 N ATOM 745 CA GLU A 86 -44.977 3.481 -8.519 1.00 47.47 C ATOM 746 C GLU A 86 -45.538 4.624 -7.665 1.00 47.07 C ATOM 747 O GLU A 86 -44.800 5.304 -6.964 1.00 46.58 O ATOM 748 CB GLU A 86 -45.023 3.905 -9.987 1.00 49.34 C ATOM 749 CG GLU A 86 -44.533 5.337 -10.211 1.00 48.37 C ATOM 750 CD GLU A 86 -43.024 5.472 -10.027 1.00 52.23 C ATOM 751 OE1 GLU A 86 -42.310 4.420 -10.045 1.00 54.37 O ATOM 752 OE2 GLU A 86 -42.539 6.629 -9.861 1.00 51.51 O ATOM 753 H GLU A 86 -46.714 2.215 -8.244 1.00 0.00 H ATOM 754 N LEU A 87 -46.850 4.830 -7.738 1.00 46.93 N ATOM 755 CA LEU A 87 -47.484 5.966 -7.076 1.00 44.56 C ATOM 756 C LEU A 87 -47.846 5.611 -5.645 1.00 43.73 C ATOM 757 O LEU A 87 -48.632 4.703 -5.399 1.00 45.18 O ATOM 758 CB LEU A 87 -48.715 6.399 -7.855 1.00 44.61 C ATOM 759 CG LEU A 87 -49.572 7.486 -7.220 1.00 44.62 C ATOM 760 CD1 LEU A 87 -48.793 8.823 -7.157 1.00 44.30 C ATOM 761 CD2 LEU A 87 -50.876 7.626 -7.995 1.00 42.11 C ATOM 762 H LEU A 87 -47.438 4.165 -8.280 1.00 0.00 H ATOM 763 N ASN A 88 -47.249 6.317 -4.701 1.00 44.69 N ATOM 764 CA ASN A 88 -47.471 6.048 -3.285 1.00 44.41 C ATOM 765 C ASN A 88 -48.397 7.045 -2.553 1.00 45.31 C ATOM 766 O ASN A 88 -48.250 8.266 -2.679 1.00 44.07 O ATOM 767 CB ASN A 88 -46.130 6.024 -2.564 1.00 42.65 C ATOM 768 CG ASN A 88 -45.290 4.818 -2.932 1.00 43.85 C ATOM 769 OD1 ASN A 88 -45.161 3.896 -2.133 1.00 45.47 O ATOM 770 ND2 ASN A 88 -44.770 4.791 -4.153 1.00 42.02 N ATOM 771 HD22 ASN A 88 -44.907 5.598 -4.794 1.00 0.00 H ATOM 772 HD21 ASN A 88 -44.226 3.963 -4.468 1.00 0.00 H ATOM 773 H ASN A 88 -46.604 7.085 -4.975 1.00 0.00 H ATOM 774 N PHE A 89 -49.300 6.496 -1.752 1.00 44.23 N ATOM 775 CA PHE A 89 -50.179 7.245 -0.856 1.00 45.01 C ATOM 776 C PHE A 89 -49.982 6.759 0.568 1.00 46.41 C ATOM 777 O PHE A 89 -50.079 5.540 0.830 1.00 46.28 O ATOM 778 CB PHE A 89 -51.649 7.051 -1.215 1.00 44.96 C ATOM 779 CG PHE A 89 -52.040 7.609 -2.548 1.00 47.03 C ATOM 780 CD1 PHE A 89 -52.472 8.932 -2.665 1.00 45.83 C ATOM 781 CD2 PHE A 89 -52.010 6.812 -3.683 1.00 45.21 C ATOM 782 CE1 PHE A 89 -52.846 9.450 -3.885 1.00 44.93 C ATOM 783 CE2 PHE A 89 -52.385 7.339 -4.911 1.00 47.40 C ATOM 784 CZ PHE A 89 -52.825 8.668 -5.011 1.00 43.61 C ATOM 785 H PHE A 89 -49.389 5.460 -1.762 1.00 0.00 H ATOM 786 N ALA A 90 -49.719 7.671 1.493 1.00 44.83 N ATOM 787 CA ALA A 90 -49.826 7.325 2.901 1.00 44.71 C ATOM 788 C ALA A 90 -50.975 8.098 3.497 1.00 43.83 C ATOM 789 O ALA A 90 -51.013 9.326 3.420 1.00 44.30 O ATOM 790 CB ALA A 90 -48.541 7.593 3.646 1.00 41.75 C ATOM 791 H ALA A 90 -49.437 8.632 1.212 1.00 0.00 H ATOM 792 N LEU A 91 -51.925 7.375 4.073 1.00 43.89 N ATOM 793 CA LEU A 91 -53.223 7.938 4.460 1.00 44.45 C ATOM 794 C LEU A 91 -53.445 7.922 5.959 1.00 44.31 C ATOM 795 O LEU A 91 -53.263 6.899 6.605 1.00 44.23 O ATOM 796 CB LEU A 91 -54.354 7.163 3.792 1.00 43.94 C ATOM 797 CG LEU A 91 -54.138 6.919 2.305 1.00 45.29 C ATOM 798 CD1 LEU A 91 -55.172 5.976 1.774 1.00 45.20 C ATOM 799 CD2 LEU A 91 -54.162 8.242 1.544 1.00 46.96 C ATOM 800 H LEU A 91 -51.743 6.368 4.258 1.00 0.00 H ATOM 801 N VAL A 92 -53.859 9.051 6.518 1.00 44.56 N ATOM 802 CA VAL A 92 -54.145 9.100 7.942 1.00 43.04 C ATOM 803 C VAL A 92 -55.538 9.676 8.191 1.00 44.87 C ATOM 804 O VAL A 92 -55.931 10.698 7.594 1.00 44.69 O ATOM 805 CB VAL A 92 -53.079 9.933 8.707 1.00 44.66 C ATOM 806 CG1 VAL A 92 -53.346 9.895 10.209 1.00 44.52 C ATOM 807 CG2 VAL A 92 -51.665 9.431 8.393 1.00 43.79 C ATOM 808 H VAL A 92 -53.979 9.904 5.935 1.00 0.00 H ATOM 809 N GLY A 93 -56.296 9.026 9.070 1.00 44.24 N ATOM 810 CA GLY A 93 -57.489 9.655 9.618 1.00 42.63 C ATOM 811 C GLY A 93 -57.344 9.789 11.123 1.00 44.30 C ATOM 812 O GLY A 93 -56.501 9.130 11.734 1.00 45.88 O ATOM 813 H GLY A 93 -56.035 8.064 9.367 1.00 0.00 H ATOM 814 N SER A 94 -58.185 10.610 11.731 1.00 44.92 N ATOM 815 CA SER A 94 -58.110 10.842 13.172 1.00 47.33 C ATOM 816 C SER A 94 -59.466 11.149 13.802 1.00 47.22 C ATOM 817 O SER A 94 -60.372 11.651 13.142 1.00 47.40 O ATOM 818 CB SER A 94 -57.151 11.999 13.474 1.00 48.08 C ATOM 819 OG SER A 94 -57.559 13.189 12.801 1.00 46.42 O ATOM 820 HG SER A 94 -57.566 13.028 11.824 1.00 0.00 H ATOM 821 H SER A 94 -58.913 11.100 11.173 1.00 0.00 H ATOM 822 N GLU A 95 -59.580 10.895 15.100 1.00 48.14 N ATOM 823 CA GLU A 95 -60.837 11.102 15.808 1.00 49.88 C ATOM 824 C GLU A 95 -60.617 11.881 17.094 1.00 49.74 C ATOM 825 O GLU A 95 -59.884 11.433 17.976 1.00 50.36 O ATOM 826 CB GLU A 95 -61.492 9.743 16.109 1.00 49.51 C ATOM 827 CG GLU A 95 -62.819 9.826 16.882 1.00 48.11 C ATOM 828 CD GLU A 95 -63.830 10.711 16.201 1.00 48.99 C ATOM 829 OE1 GLU A 95 -64.014 10.559 14.976 1.00 47.54 O ATOM 830 OE2 GLU A 95 -64.423 11.577 16.882 1.00 49.45 O ATOM 831 H GLU A 95 -58.754 10.540 15.623 1.00 0.00 H ATOM 832 N ASP A 96 -61.242 13.048 17.208 1.00 51.05 N ATOM 833 CA ASP A 96 -60.993 13.899 18.371 1.00 50.53 C ATOM 834 C ASP A 96 -62.131 13.834 19.373 1.00 52.41 C ATOM 835 O ASP A 96 -62.071 14.457 20.428 1.00 50.96 O ATOM 836 CB ASP A 96 -60.761 15.349 17.947 1.00 53.30 C ATOM 837 CG ASP A 96 -61.931 15.937 17.166 1.00 53.29 C ATOM 838 OD1 ASP A 96 -63.091 15.511 17.355 1.00 51.52 O ATOM 839 OD2 ASP A 96 -61.678 16.852 16.358 1.00 54.23 O ATOM 840 H ASP A 96 -61.908 13.356 16.471 1.00 0.00 H ATOM 841 N GLY A 97 -63.153 13.047 19.042 1.00 53.10 N ATOM 842 CA GLY A 97 -64.391 13.022 19.804 1.00 53.33 C ATOM 843 C GLY A 97 -64.955 11.621 20.007 1.00 53.62 C ATOM 844 O GLY A 97 -64.222 10.655 20.189 1.00 54.46 O ATOM 845 H GLY A 97 -63.063 12.429 18.210 1.00 0.00 H ATOM 846 N THR A 98 -66.272 11.518 19.959 1.00 55.09 N ATOM 847 CA THR A 98 -66.973 10.315 20.386 1.00 56.33 C ATOM 848 C THR A 98 -67.759 9.642 19.249 1.00 56.01 C ATOM 849 O THR A 98 -68.239 8.504 19.391 1.00 55.37 O ATOM 850 CB THR A 98 -67.968 10.661 21.523 1.00 59.24 C ATOM 851 OG1 THR A 98 -68.957 11.543 21.003 1.00 55.75 O ATOM 852 CG2 THR A 98 -67.268 11.391 22.660 1.00 60.64 C ATOM 853 HG1 THR A 98 -69.601 11.774 21.719 1.00 0.00 H ATOM 854 H THR A 98 -66.826 12.323 19.604 1.00 0.00 H ATOM 855 N ASP A 99 -67.905 10.342 18.126 1.00 53.56 N ATOM 856 CA ASP A 99 -68.821 9.879 17.082 1.00 52.44 C ATOM 857 C ASP A 99 -68.140 8.918 16.109 1.00 52.04 C ATOM 858 O ASP A 99 -68.805 8.305 15.269 1.00 53.38 O ATOM 859 CB ASP A 99 -69.416 11.085 16.330 1.00 51.50 C ATOM 860 CG ASP A 99 -68.391 11.786 15.454 1.00 50.81 C ATOM 861 OD1 ASP A 99 -67.185 11.524 15.640 1.00 50.21 O ATOM 862 OD2 ASP A 99 -68.797 12.577 14.586 1.00 49.09 O ATOM 863 H ASP A 99 -67.366 11.221 17.990 1.00 0.00 H ATOM 864 N ASN A 100 -66.811 8.820 16.223 1.00 50.77 N ATOM 865 CA ASN A 100 -66.008 7.935 15.398 1.00 49.58 C ATOM 866 C ASN A 100 -66.252 8.042 13.905 1.00 48.44 C ATOM 867 O ASN A 100 -66.396 7.029 13.221 1.00 47.17 O ATOM 868 CB ASN A 100 -66.223 6.479 15.836 1.00 51.16 C ATOM 869 CG ASN A 100 -65.829 6.260 17.272 1.00 51.85 C ATOM 870 OD1 ASN A 100 -64.845 6.846 17.748 1.00 54.93 O ATOM 871 ND2 ASN A 100 -66.610 5.476 17.992 1.00 51.18 N ATOM 872 HD22 ASN A 100 -67.425 5.005 17.549 1.00 0.00 H ATOM 873 HD21 ASN A 100 -66.411 5.329 19.002 1.00 0.00 H ATOM 874 H ASN A 100 -66.330 9.405 16.936 1.00 0.00 H ATOM 875 N ASP A 101 -66.282 9.257 13.375 1.00 48.10 N ATOM 876 CA ASP A 101 -66.261 9.350 11.926 1.00 47.56 C ATOM 877 C ASP A 101 -64.799 9.390 11.397 1.00 47.40 C ATOM 878 O ASP A 101 -64.575 9.220 10.203 1.00 47.42 O ATOM 879 CB ASP A 101 -67.113 10.527 11.423 1.00 46.21 C ATOM 880 CG ASP A 101 -66.610 11.912 11.872 1.00 48.48 C ATOM 881 OD1 ASP A 101 -65.701 12.023 12.737 1.00 47.92 O ATOM 882 OD2 ASP A 101 -67.163 12.903 11.329 1.00 45.02 O ATOM 883 H ASP A 101 -66.319 10.108 13.972 1.00 0.00 H ATOM 884 N TYR A 102 -63.823 9.565 12.290 1.00 46.61 N ATOM 885 CA TYR A 102 -62.387 9.494 11.942 1.00 46.55 C ATOM 886 C TYR A 102 -61.928 10.365 10.766 1.00 45.26 C ATOM 887 O TYR A 102 -60.936 10.051 10.096 1.00 43.71 O ATOM 888 CB TYR A 102 -61.984 8.011 11.683 1.00 47.80 C ATOM 889 CG TYR A 102 -61.660 7.347 12.988 1.00 47.66 C ATOM 890 CD1 TYR A 102 -62.658 6.771 13.771 1.00 47.41 C ATOM 891 CD2 TYR A 102 -60.382 7.414 13.501 1.00 47.28 C ATOM 892 CE1 TYR A 102 -62.354 6.215 15.006 1.00 48.19 C ATOM 893 CE2 TYR A 102 -60.072 6.857 14.720 1.00 48.54 C ATOM 894 CZ TYR A 102 -61.058 6.261 15.466 1.00 48.35 C ATOM 895 OH TYR A 102 -60.707 5.737 16.686 1.00 50.39 O ATOM 896 HH TYR A 102 -60.019 5.037 16.558 1.00 0.00 H ATOM 897 H TYR A 102 -64.084 9.761 13.277 1.00 0.00 H ATOM 898 N ASN A 103 -62.601 11.490 10.562 1.00 46.02 N ATOM 899 CA ASN A 103 -62.260 12.395 9.468 1.00 45.24 C ATOM 900 C ASN A 103 -61.863 13.782 9.966 1.00 45.80 C ATOM 901 O ASN A 103 -61.770 14.721 9.188 1.00 44.51 O ATOM 902 CB ASN A 103 -63.436 12.532 8.500 1.00 43.07 C ATOM 903 CG ASN A 103 -64.581 13.376 9.079 1.00 46.18 C ATOM 904 OD1 ASN A 103 -64.603 13.707 10.273 1.00 45.90 O ATOM 905 ND2 ASN A 103 -65.535 13.740 8.218 1.00 45.60 N ATOM 906 HD22 ASN A 103 -65.479 13.441 7.223 1.00 0.00 H ATOM 907 HD21 ASN A 103 -66.333 14.322 8.542 1.00 0.00 H ATOM 908 H ASN A 103 -63.389 11.733 11.196 1.00 0.00 H ATOM 909 N ASP A 104 -61.705 13.897 11.275 1.00 46.11 N ATOM 910 CA ASP A 104 -61.686 15.187 11.925 1.00 46.45 C ATOM 911 C ASP A 104 -60.483 15.999 11.448 1.00 47.07 C ATOM 912 O ASP A 104 -60.596 17.200 11.213 1.00 45.59 O ATOM 913 CB ASP A 104 -61.688 15.009 13.436 1.00 47.37 C ATOM 914 CG ASP A 104 -62.964 14.347 13.933 1.00 47.57 C ATOM 915 OD1 ASP A 104 -64.041 14.564 13.307 1.00 46.46 O ATOM 916 OD2 ASP A 104 -62.879 13.613 14.940 1.00 48.43 O ATOM 917 H ASP A 104 -61.592 13.038 11.850 1.00 0.00 H ATOM 918 N ALA A 105 -59.352 15.313 11.306 1.00 45.75 N ATOM 919 CA ALA A 105 -58.255 15.748 10.454 1.00 46.80 C ATOM 920 C ALA A 105 -57.888 14.573 9.555 1.00 45.59 C ATOM 921 O ALA A 105 -57.604 13.484 10.040 1.00 44.30 O ATOM 922 CB ALA A 105 -57.032 16.193 11.278 1.00 45.57 C ATOM 923 H ALA A 105 -59.246 14.421 11.830 1.00 0.00 H ATOM 924 N VAL A 106 -57.940 14.779 8.248 1.00 44.43 N ATOM 925 CA VAL A 106 -57.498 13.760 7.313 1.00 41.96 C ATOM 926 C VAL A 106 -56.145 14.204 6.765 1.00 43.57 C ATOM 927 O VAL A 106 -55.968 15.392 6.392 1.00 44.54 O ATOM 928 CB VAL A 106 -58.508 13.571 6.168 1.00 44.44 C ATOM 929 CG1 VAL A 106 -57.946 12.682 5.098 1.00 42.22 C ATOM 930 CG2 VAL A 106 -59.897 13.062 6.699 1.00 43.10 C ATOM 931 H VAL A 106 -58.303 15.684 7.886 1.00 0.00 H ATOM 932 N VAL A 107 -55.164 13.304 6.761 1.00 43.70 N ATOM 933 CA VAL A 107 -53.840 13.674 6.267 1.00 42.28 C ATOM 934 C VAL A 107 -53.430 12.761 5.143 1.00 43.63 C ATOM 935 O VAL A 107 -53.516 11.514 5.252 1.00 45.65 O ATOM 936 CB VAL A 107 -52.808 13.655 7.379 1.00 43.10 C ATOM 937 CG1 VAL A 107 -51.397 13.934 6.821 1.00 43.85 C ATOM 938 CG2 VAL A 107 -53.180 14.678 8.446 1.00 44.52 C ATOM 939 H VAL A 107 -55.340 12.340 7.109 1.00 0.00 H ATOM 940 N VAL A 108 -53.047 13.380 4.037 1.00 42.57 N ATOM 941 CA VAL A 108 -52.600 12.642 2.870 1.00 43.87 C ATOM 942 C VAL A 108 -51.149 12.978 2.498 1.00 45.45 C ATOM 943 O VAL A 108 -50.793 14.137 2.270 1.00 44.18 O ATOM 944 CB VAL A 108 -53.494 12.911 1.658 1.00 45.34 C ATOM 945 CG1 VAL A 108 -52.941 12.176 0.461 1.00 45.44 C ATOM 946 CG2 VAL A 108 -54.946 12.458 1.939 1.00 45.66 C ATOM 947 H VAL A 108 -53.067 14.419 4.004 1.00 0.00 H ATOM 948 N ILE A 109 -50.325 11.939 2.444 1.00 43.54 N ATOM 949 CA ILE A 109 -48.971 12.035 1.993 1.00 43.43 C ATOM 950 C ILE A 109 -48.854 11.343 0.637 1.00 45.98 C ATOM 951 O ILE A 109 -49.312 10.215 0.477 1.00 44.80 O ATOM 952 CB ILE A 109 -48.021 11.377 3.006 1.00 45.18 C ATOM 953 CG1 ILE A 109 -47.916 12.224 4.272 1.00 43.30 C ATOM 954 CG2 ILE A 109 -46.660 11.116 2.387 1.00 43.99 C ATOM 955 CD1 ILE A 109 -47.224 11.486 5.389 1.00 41.99 C ATOM 956 H ILE A 109 -50.681 11.009 2.744 1.00 0.00 H ATOM 957 N ASN A 110 -48.223 11.989 -0.338 1.00 45.70 N ATOM 958 CA ASN A 110 -48.032 11.339 -1.633 1.00 46.27 C ATOM 959 C ASN A 110 -46.604 11.485 -2.189 1.00 46.58 C ATOM 960 O ASN A 110 -45.922 12.488 -1.940 1.00 45.84 O ATOM 961 CB ASN A 110 -49.062 11.875 -2.631 1.00 46.62 C ATOM 962 CG ASN A 110 -48.886 13.367 -2.913 1.00 49.24 C ATOM 963 OD1 ASN A 110 -48.784 14.185 -1.993 1.00 48.58 O ATOM 964 ND2 ASN A 110 -48.871 13.724 -4.190 1.00 49.10 N ATOM 965 HD22 ASN A 110 -48.960 13.002 -4.933 1.00 0.00 H ATOM 966 HD21 ASN A 110 -48.770 14.726 -4.449 1.00 0.00 H ATOM 967 H ASN A 110 -47.867 12.953 -0.180 1.00 0.00 H ATOM 968 N TRP A 111 -46.124 10.446 -2.878 1.00 45.59 N ATOM 969 CA TRP A 111 -44.835 10.501 -3.587 1.00 47.67 C ATOM 970 C TRP A 111 -44.820 9.454 -4.691 1.00 46.90 C ATOM 971 O TRP A 111 -45.591 8.504 -4.641 1.00 48.06 O ATOM 972 CB TRP A 111 -43.636 10.311 -2.624 1.00 45.32 C ATOM 973 CG TRP A 111 -43.404 8.879 -2.154 1.00 45.95 C ATOM 974 CD1 TRP A 111 -42.577 7.957 -2.719 1.00 47.70 C ATOM 975 CD2 TRP A 111 -43.999 8.244 -1.017 1.00 45.64 C ATOM 976 NE1 TRP A 111 -42.620 6.773 -2.006 1.00 46.19 N ATOM 977 CE2 TRP A 111 -43.476 6.930 -0.946 1.00 45.58 C ATOM 978 CE3 TRP A 111 -44.940 8.649 -0.053 1.00 47.25 C ATOM 979 CZ2 TRP A 111 -43.858 6.018 0.039 1.00 46.87 C ATOM 980 CZ3 TRP A 111 -45.327 7.746 0.935 1.00 46.93 C ATOM 981 CH2 TRP A 111 -44.786 6.437 0.967 1.00 48.17 C ATOM 982 HE1 TRP A 111 -42.091 5.907 -2.235 1.00 0.00 H ATOM 983 H TRP A 111 -46.680 9.568 -2.915 1.00 0.00 H ATOM 984 N PRO A 112 -43.938 9.615 -5.694 1.00 49.89 N ATOM 985 CA PRO A 112 -42.931 10.685 -5.885 1.00 47.11 C ATOM 986 C PRO A 112 -43.515 11.991 -6.390 1.00 48.69 C ATOM 987 O PRO A 112 -44.644 11.989 -6.867 1.00 47.47 O ATOM 988 CB PRO A 112 -42.005 10.100 -6.946 1.00 48.04 C ATOM 989 CG PRO A 112 -42.961 9.276 -7.797 1.00 49.64 C ATOM 990 CD PRO A 112 -43.872 8.604 -6.770 1.00 46.82 C ATOM 991 N LEU A 113 -42.747 13.086 -6.320 1.00 47.72 N ATOM 992 CA LEU A 113 -43.211 14.353 -6.886 1.00 50.15 C ATOM 993 C LEU A 113 -42.480 14.673 -8.191 1.00 51.69 C ATOM 994 O LEU A 113 -41.634 13.898 -8.651 1.00 50.34 O ATOM 995 CB LEU A 113 -43.028 15.499 -5.889 1.00 49.47 C ATOM 996 CG LEU A 113 -43.610 15.256 -4.499 1.00 48.85 C ATOM 997 CD1 LEU A 113 -43.219 16.403 -3.572 1.00 48.48 C ATOM 998 CD2 LEU A 113 -45.130 15.053 -4.540 1.00 44.24 C ATOM 999 H LEU A 113 -41.815 13.035 -5.861 1.00 0.00 H ATOM 1000 N GLY A 114 -42.808 15.822 -8.780 1.00 51.42 N ATOM 1001 CA GLY A 114 -42.139 16.267 -9.991 1.00 52.03 C ATOM 1002 C GLY A 114 -42.713 15.670 -11.267 1.00 54.62 C ATOM 1003 O GLY A 114 -43.402 14.628 -11.263 1.00 52.15 O ATOM 1004 OXT GLY A 114 -42.503 16.223 -12.349 1.00 53.99 O ATOM 1005 H GLY A 114 -43.557 16.412 -8.365 1.00 0.00 H TER 1006 GLY A 114 ATOM 1007 N ALA B 1 -58.448 -2.683 -17.099 1.00 49.49 N ATOM 1008 CA ALA B 1 -59.781 -2.443 -16.544 1.00 51.09 C ATOM 1009 C ALA B 1 -60.094 -0.968 -16.441 1.00 51.37 C ATOM 1010 O ALA B 1 -59.199 -0.118 -16.519 1.00 51.30 O ATOM 1011 CB ALA B 1 -59.904 -3.060 -15.192 1.00 49.47 C ATOM 1012 HN3 ALA B 1 -57.734 -2.241 -16.486 1.00 0.00 H ATOM 1013 HN2 ALA B 1 -58.391 -2.271 -18.052 1.00 0.00 H ATOM 1014 HN1 ALA B 1 -58.275 -3.707 -17.152 1.00 0.00 H ATOM 1015 N THR B 2 -61.363 -0.670 -16.204 1.00 50.00 N ATOM 1016 CA THR B 2 -61.786 0.700 -16.004 1.00 51.08 C ATOM 1017 C THR B 2 -61.228 1.257 -14.703 1.00 49.62 C ATOM 1018 O THR B 2 -61.239 0.583 -13.667 1.00 48.22 O ATOM 1019 CB THR B 2 -63.321 0.831 -15.978 1.00 53.35 C ATOM 1020 OG1 THR B 2 -63.867 0.247 -17.163 1.00 52.85 O ATOM 1021 CG2 THR B 2 -63.705 2.321 -15.905 1.00 50.90 C ATOM 1022 HG1 THR B 2 -63.617 -0.710 -17.203 1.00 0.00 H ATOM 1023 H THR B 2 -62.068 -1.434 -16.161 1.00 0.00 H ATOM 1024 N GLN B 3 -60.745 2.492 -14.774 1.00 48.31 N ATOM 1025 CA GLN B 3 -60.104 3.160 -13.652 1.00 49.16 C ATOM 1026 C GLN B 3 -60.737 4.545 -13.484 1.00 48.25 C ATOM 1027 O GLN B 3 -61.286 5.082 -14.434 1.00 47.12 O ATOM 1028 CB GLN B 3 -58.596 3.295 -13.876 1.00 47.28 C ATOM 1029 CG GLN B 3 -57.833 1.976 -14.015 1.00 50.52 C ATOM 1030 CD GLN B 3 -57.716 1.248 -12.693 1.00 46.82 C ATOM 1031 OE1 GLN B 3 -56.786 1.470 -11.944 1.00 48.71 O ATOM 1032 NE2 GLN B 3 -58.666 0.402 -12.399 1.00 46.97 N ATOM 1033 HE22 GLN B 3 -59.445 0.241 -13.069 1.00 0.00 H ATOM 1034 HE21 GLN B 3 -58.644 -0.111 -11.495 1.00 0.00 H ATOM 1035 H GLN B 3 -60.829 3.006 -15.674 1.00 0.00 H ATOM 1036 N GLY B 4 -60.652 5.094 -12.277 1.00 46.38 N ATOM 1037 CA GLY B 4 -61.204 6.393 -11.967 1.00 46.80 C ATOM 1038 C GLY B 4 -62.716 6.427 -11.800 1.00 50.00 C ATOM 1039 O GLY B 4 -63.301 7.524 -11.779 1.00 48.99 O ATOM 1040 H GLY B 4 -60.167 4.566 -11.523 1.00 0.00 H ATOM 1041 N VAL B 5 -63.358 5.251 -11.672 1.00 46.76 N ATOM 1042 CA VAL B 5 -64.801 5.204 -11.437 1.00 46.94 C ATOM 1043 C VAL B 5 -65.127 4.576 -10.075 1.00 49.43 C ATOM 1044 O VAL B 5 -64.594 3.513 -9.718 1.00 49.48 O ATOM 1045 CB VAL B 5 -65.526 4.423 -12.548 1.00 49.34 C ATOM 1046 CG1 VAL B 5 -67.007 4.319 -12.245 1.00 51.64 C ATOM 1047 CG2 VAL B 5 -65.304 5.118 -13.867 1.00 48.86 C ATOM 1048 H VAL B 5 -62.821 4.363 -11.741 1.00 0.00 H ATOM 1049 N PHE B 6 -65.998 5.233 -9.316 1.00 47.29 N ATOM 1050 CA PHE B 6 -66.208 4.907 -7.908 1.00 45.93 C ATOM 1051 C PHE B 6 -67.676 4.942 -7.522 1.00 48.12 C ATOM 1052 O PHE B 6 -68.356 5.934 -7.804 1.00 49.67 O ATOM 1053 CB PHE B 6 -65.442 5.894 -7.020 1.00 45.37 C ATOM 1054 CG PHE B 6 -63.980 6.002 -7.346 1.00 45.68 C ATOM 1055 CD1 PHE B 6 -63.136 4.916 -7.169 1.00 45.29 C ATOM 1056 CD2 PHE B 6 -63.442 7.201 -7.811 1.00 47.71 C ATOM 1057 CE1 PHE B 6 -61.763 5.008 -7.467 1.00 43.92 C ATOM 1058 CE2 PHE B 6 -62.069 7.319 -8.102 1.00 46.80 C ATOM 1059 CZ PHE B 6 -61.237 6.213 -7.938 1.00 45.62 C ATOM 1060 H PHE B 6 -66.549 6.006 -9.740 1.00 0.00 H ATOM 1061 N THR B 7 -68.169 3.901 -6.855 1.00 44.87 N ATOM 1062 CA THR B 7 -69.528 3.961 -6.339 1.00 47.07 C ATOM 1063 C THR B 7 -69.550 4.375 -4.871 1.00 46.91 C ATOM 1064 O THR B 7 -69.100 3.656 -3.988 1.00 46.00 O ATOM 1065 CB THR B 7 -70.276 2.620 -6.499 1.00 46.83 C ATOM 1066 OG1 THR B 7 -70.185 2.190 -7.859 1.00 46.29 O ATOM 1067 CG2 THR B 7 -71.756 2.804 -6.137 1.00 48.31 C ATOM 1068 HG1 THR B 7 -70.664 1.330 -7.965 1.00 0.00 H ATOM 1069 H THR B 7 -67.588 3.052 -6.704 1.00 0.00 H ATOM 1070 N LEU B 8 -70.095 5.554 -4.623 1.00 48.21 N ATOM 1071 CA LEU B 8 -70.230 6.069 -3.269 1.00 49.06 C ATOM 1072 C LEU B 8 -71.619 5.739 -2.728 1.00 49.03 C ATOM 1073 O LEU B 8 -72.525 5.447 -3.495 1.00 47.18 O ATOM 1074 CB LEU B 8 -70.000 7.581 -3.248 1.00 46.32 C ATOM 1075 CG LEU B 8 -68.544 8.097 -3.112 1.00 47.51 C ATOM 1076 CD1 LEU B 8 -67.655 7.667 -4.276 1.00 44.21 C ATOM 1077 CD2 LEU B 8 -68.556 9.619 -2.968 1.00 44.33 C ATOM 1078 H LEU B 8 -70.437 6.130 -5.419 1.00 0.00 H ATOM 1079 N PRO B 9 -71.783 5.799 -1.402 1.00 49.60 N ATOM 1080 CA PRO B 9 -73.137 5.843 -0.867 1.00 48.74 C ATOM 1081 C PRO B 9 -73.915 7.046 -1.428 1.00 51.54 C ATOM 1082 O PRO B 9 -73.389 8.161 -1.582 1.00 49.35 O ATOM 1083 CB PRO B 9 -72.913 5.973 0.641 1.00 50.74 C ATOM 1084 CG PRO B 9 -71.530 6.555 0.776 1.00 49.22 C ATOM 1085 CD PRO B 9 -70.763 5.951 -0.347 1.00 49.20 C ATOM 1086 N ALA B 10 -75.185 6.802 -1.744 1.00 50.72 N ATOM 1087 CA ALA B 10 -76.018 7.788 -2.409 1.00 51.11 C ATOM 1088 C ALA B 10 -76.206 9.023 -1.538 1.00 51.56 C ATOM 1089 O ALA B 10 -76.214 8.916 -0.305 1.00 51.35 O ATOM 1090 CB ALA B 10 -77.385 7.166 -2.775 1.00 52.25 C ATOM 1091 H ALA B 10 -75.594 5.875 -1.507 1.00 0.00 H ATOM 1092 N ASN B 11 -76.319 10.185 -2.189 1.00 50.98 N ATOM 1093 CA ASN B 11 -76.642 11.447 -1.525 1.00 51.85 C ATOM 1094 C ASN B 11 -75.688 11.809 -0.401 1.00 50.57 C ATOM 1095 O ASN B 11 -76.090 12.276 0.665 1.00 50.02 O ATOM 1096 CB ASN B 11 -78.075 11.388 -0.999 1.00 51.19 C ATOM 1097 CG ASN B 11 -79.068 11.108 -2.102 1.00 54.23 C ATOM 1098 OD1 ASN B 11 -79.148 11.860 -3.075 1.00 56.33 O ATOM 1099 ND2 ASN B 11 -79.798 10.000 -1.985 1.00 52.70 N ATOM 1100 HD22 ASN B 11 -79.696 9.396 -1.144 1.00 0.00 H ATOM 1101 HD21 ASN B 11 -80.470 9.739 -2.734 1.00 0.00 H ATOM 1102 H ASN B 11 -76.170 10.192 -3.218 1.00 0.00 H ATOM 1103 N THR B 12 -74.412 11.582 -0.650 1.00 49.87 N ATOM 1104 CA THR B 12 -73.409 11.802 0.364 1.00 49.40 C ATOM 1105 C THR B 12 -72.444 12.869 -0.141 1.00 47.93 C ATOM 1106 O THR B 12 -72.044 12.853 -1.308 1.00 48.00 O ATOM 1107 CB THR B 12 -72.672 10.463 0.701 1.00 49.40 C ATOM 1108 OG1 THR B 12 -73.605 9.546 1.302 1.00 47.67 O ATOM 1109 CG2 THR B 12 -71.470 10.695 1.631 1.00 46.67 C ATOM 1110 HG1 THR B 12 -74.345 9.368 0.669 1.00 0.00 H ATOM 1111 H THR B 12 -74.125 11.240 -1.589 1.00 0.00 H ATOM 1112 N ARG B 13 -72.108 13.815 0.726 1.00 46.59 N ATOM 1113 CA ARG B 13 -71.132 14.848 0.383 1.00 47.86 C ATOM 1114 C ARG B 13 -69.731 14.253 0.473 1.00 47.93 C ATOM 1115 O ARG B 13 -69.435 13.484 1.392 1.00 47.82 O ATOM 1116 CB ARG B 13 -71.271 16.068 1.304 1.00 47.85 C ATOM 1117 CG ARG B 13 -72.642 16.790 1.172 1.00 51.44 C ATOM 1118 CD ARG B 13 -72.829 17.900 2.213 1.00 51.58 C ATOM 1119 NE ARG B 13 -71.758 18.918 2.248 1.00 51.28 N ATOM 1120 CZ ARG B 13 -71.654 19.931 1.388 1.00 54.66 C ATOM 1121 NH1 ARG B 13 -72.539 20.053 0.403 1.00 57.46 N ATOM 1122 NH2 ARG B 13 -70.680 20.833 1.513 1.00 56.61 N ATOM 1123 HE ARG B 13 -71.037 18.839 2.994 1.00 0.00 H ATOM 1124 HH12 ARG B 13 -72.462 20.842 -0.271 1.00 0.00 H ATOM 1125 HH11 ARG B 13 -73.308 19.360 0.306 1.00 0.00 H ATOM 1126 HH22 ARG B 13 -70.609 21.619 0.836 1.00 0.00 H ATOM 1127 HH21 ARG B 13 -69.991 20.750 2.288 1.00 0.00 H ATOM 1128 H ARG B 13 -72.548 13.822 1.668 1.00 0.00 H ATOM 1129 N PHE B 14 -68.883 14.580 -0.494 1.00 48.25 N ATOM 1130 CA PHE B 14 -67.503 14.086 -0.488 1.00 45.83 C ATOM 1131 C PHE B 14 -66.522 15.142 -0.951 1.00 46.25 C ATOM 1132 O PHE B 14 -66.872 15.999 -1.768 1.00 47.67 O ATOM 1133 CB PHE B 14 -67.368 12.851 -1.366 1.00 45.17 C ATOM 1134 CG PHE B 14 -67.648 13.085 -2.833 1.00 45.23 C ATOM 1135 CD1 PHE B 14 -68.957 13.035 -3.329 1.00 45.94 C ATOM 1136 CD2 PHE B 14 -66.606 13.301 -3.727 1.00 42.56 C ATOM 1137 CE1 PHE B 14 -69.209 13.221 -4.680 1.00 45.55 C ATOM 1138 CE2 PHE B 14 -66.848 13.474 -5.072 1.00 44.01 C ATOM 1139 CZ PHE B 14 -68.159 13.440 -5.555 1.00 46.58 C ATOM 1140 H PHE B 14 -69.203 15.196 -1.268 1.00 0.00 H ATOM 1141 N GLY B 15 -65.297 15.080 -0.432 1.00 44.60 N ATOM 1142 CA GLY B 15 -64.253 16.023 -0.805 1.00 44.53 C ATOM 1143 C GLY B 15 -63.560 15.548 -2.060 1.00 46.93 C ATOM 1144 O GLY B 15 -63.396 14.340 -2.260 1.00 46.82 O ATOM 1145 H GLY B 15 -65.080 14.335 0.261 1.00 0.00 H ATOM 1146 N VAL B 16 -63.146 16.470 -2.918 1.00 46.22 N ATOM 1147 CA VAL B 16 -62.282 16.098 -4.032 1.00 48.29 C ATOM 1148 C VAL B 16 -61.206 17.136 -4.262 1.00 51.36 C ATOM 1149 O VAL B 16 -61.488 18.334 -4.400 1.00 53.61 O ATOM 1150 CB VAL B 16 -63.068 15.874 -5.332 1.00 49.97 C ATOM 1151 CG1 VAL B 16 -63.974 17.053 -5.630 1.00 51.14 C ATOM 1152 CG2 VAL B 16 -62.110 15.629 -6.483 1.00 49.33 C ATOM 1153 H VAL B 16 -63.438 17.461 -2.796 1.00 0.00 H ATOM 1154 N THR B 17 -59.960 16.666 -4.286 1.00 50.79 N ATOM 1155 CA THR B 17 -58.799 17.524 -4.376 1.00 50.06 C ATOM 1156 C THR B 17 -57.844 16.995 -5.425 1.00 51.55 C ATOM 1157 O THR B 17 -57.655 15.774 -5.542 1.00 51.24 O ATOM 1158 CB THR B 17 -58.069 17.604 -3.021 1.00 51.23 C ATOM 1159 OG1 THR B 17 -58.993 17.996 -2.004 1.00 52.16 O ATOM 1160 CG2 THR B 17 -56.883 18.570 -3.069 1.00 47.54 C ATOM 1161 HG1 THR B 17 -59.722 17.329 -1.947 1.00 0.00 H ATOM 1162 H THR B 17 -59.816 15.637 -4.238 1.00 0.00 H ATOM 1163 N ALA B 18 -57.209 17.900 -6.163 1.00 49.67 N ATOM 1164 CA ALA B 18 -56.282 17.492 -7.206 1.00 49.74 C ATOM 1165 C ALA B 18 -54.899 18.123 -7.035 1.00 52.02 C ATOM 1166 O ALA B 18 -54.767 19.309 -6.703 1.00 49.96 O ATOM 1167 CB ALA B 18 -56.860 17.829 -8.575 1.00 51.15 C ATOM 1168 H ALA B 18 -57.377 18.912 -5.992 1.00 0.00 H ATOM 1169 N PHE B 19 -53.873 17.311 -7.266 1.00 50.26 N ATOM 1170 CA PHE B 19 -52.504 17.765 -7.209 1.00 51.46 C ATOM 1171 C PHE B 19 -51.873 17.712 -8.588 1.00 52.02 C ATOM 1172 O PHE B 19 -52.301 16.953 -9.444 1.00 53.36 O ATOM 1173 CB PHE B 19 -51.699 16.913 -6.228 1.00 51.09 C ATOM 1174 CG PHE B 19 -52.226 16.948 -4.829 1.00 51.25 C ATOM 1175 CD1 PHE B 19 -53.261 16.108 -4.443 1.00 52.34 C ATOM 1176 CD2 PHE B 19 -51.694 17.827 -3.900 1.00 50.48 C ATOM 1177 CE1 PHE B 19 -53.760 16.149 -3.147 1.00 52.40 C ATOM 1178 CE2 PHE B 19 -52.171 17.870 -2.605 1.00 50.02 C ATOM 1179 CZ PHE B 19 -53.203 17.034 -2.223 1.00 51.47 C ATOM 1180 H PHE B 19 -54.063 16.315 -7.496 1.00 0.00 H ATOM 1181 N ALA B 20 -50.852 18.522 -8.808 1.00 52.61 N ATOM 1182 CA ALA B 20 -50.204 18.529 -10.110 1.00 53.55 C ATOM 1183 C ALA B 20 -48.685 18.346 -9.962 1.00 51.46 C ATOM 1184 O ALA B 20 -48.074 18.921 -9.064 1.00 51.12 O ATOM 1185 CB ALA B 20 -50.545 19.813 -10.854 1.00 55.12 C ATOM 1186 H ALA B 20 -50.513 19.152 -8.053 1.00 0.00 H ATOM 1187 N ASN B 21 -48.113 17.503 -10.825 1.00 51.14 N ATOM 1188 CA ASN B 21 -46.693 17.159 -10.815 1.00 51.53 C ATOM 1189 C ASN B 21 -46.226 16.864 -12.229 1.00 53.46 C ATOM 1190 O ASN B 21 -45.784 15.765 -12.537 1.00 51.92 O ATOM 1191 CB ASN B 21 -46.404 15.940 -9.934 1.00 51.18 C ATOM 1192 CG ASN B 21 -46.641 16.205 -8.466 1.00 51.17 C ATOM 1193 OD1 ASN B 21 -45.761 16.694 -7.763 1.00 51.00 O ATOM 1194 ND2 ASN B 21 -47.840 15.879 -7.991 1.00 50.85 N ATOM 1195 HD22 ASN B 21 -48.555 15.467 -8.623 1.00 0.00 H ATOM 1196 HD21 ASN B 21 -48.062 16.036 -6.987 1.00 0.00 H ATOM 1197 H ASN B 21 -48.716 17.064 -11.550 1.00 0.00 H ATOM 1198 N SER B 22 -46.355 17.857 -13.090 1.00 54.28 N ATOM 1199 CA SER B 22 -46.056 17.715 -14.507 1.00 56.33 C ATOM 1200 C SER B 22 -45.707 19.089 -15.073 1.00 57.11 C ATOM 1201 O SER B 22 -46.084 20.105 -14.500 1.00 55.21 O ATOM 1202 CB SER B 22 -47.256 17.131 -15.253 1.00 55.56 C ATOM 1203 OG SER B 22 -46.962 16.961 -16.628 1.00 56.90 O ATOM 1204 HG SER B 22 -47.752 16.583 -17.089 1.00 0.00 H ATOM 1205 H SER B 22 -46.684 18.780 -12.741 1.00 0.00 H ATOM 1206 N SER B 23 -45.021 19.126 -16.206 1.00 57.37 N ATOM 1207 CA SER B 23 -44.748 20.408 -16.831 1.00 59.90 C ATOM 1208 C SER B 23 -45.941 20.756 -17.745 1.00 62.52 C ATOM 1209 O SER B 23 -46.070 21.878 -18.243 1.00 63.98 O ATOM 1210 CB SER B 23 -43.403 20.374 -17.575 1.00 64.03 C ATOM 1211 OG SER B 23 -43.564 20.243 -18.973 1.00 68.51 O ATOM 1212 HG SER B 23 -44.085 21.011 -19.317 1.00 0.00 H ATOM 1213 H SER B 23 -44.681 18.246 -16.643 1.00 0.00 H ATOM 1214 N GLY B 24 -46.842 19.798 -17.907 1.00 57.60 N ATOM 1215 CA GLY B 24 -48.066 20.017 -18.653 1.00 58.02 C ATOM 1216 C GLY B 24 -49.223 20.475 -17.778 1.00 57.80 C ATOM 1217 O GLY B 24 -49.343 20.110 -16.598 1.00 55.81 O ATOM 1218 H GLY B 24 -46.666 18.863 -17.487 1.00 0.00 H ATOM 1219 N THR B 25 -50.084 21.300 -18.362 1.00 57.74 N ATOM 1220 CA THR B 25 -51.255 21.801 -17.660 1.00 57.60 C ATOM 1221 C THR B 25 -52.318 20.711 -17.489 1.00 56.96 C ATOM 1222 O THR B 25 -52.854 20.186 -18.468 1.00 58.61 O ATOM 1223 CB THR B 25 -51.857 23.009 -18.397 1.00 59.50 C ATOM 1224 OG1 THR B 25 -50.830 23.986 -18.606 1.00 59.21 O ATOM 1225 CG2 THR B 25 -53.010 23.610 -17.591 1.00 55.78 C ATOM 1226 HG1 THR B 25 -50.105 23.589 -19.150 1.00 0.00 H ATOM 1227 H THR B 25 -49.917 21.595 -19.345 1.00 0.00 H ATOM 1228 N GLN B 26 -52.616 20.385 -16.235 1.00 56.46 N ATOM 1229 CA GLN B 26 -53.520 19.277 -15.915 1.00 57.46 C ATOM 1230 C GLN B 26 -54.973 19.729 -15.879 1.00 58.35 C ATOM 1231 O GLN B 26 -55.303 20.713 -15.201 1.00 59.04 O ATOM 1232 CB GLN B 26 -53.159 18.651 -14.565 1.00 54.64 C ATOM 1233 CG GLN B 26 -51.735 18.171 -14.458 1.00 57.42 C ATOM 1234 CD GLN B 26 -51.418 17.081 -15.458 1.00 57.34 C ATOM 1235 OE1 GLN B 26 -52.141 16.092 -15.559 1.00 53.78 O ATOM 1236 NE2 GLN B 26 -50.327 17.264 -16.213 1.00 57.15 N ATOM 1237 HE22 GLN B 26 -49.747 18.118 -16.090 1.00 0.00 H ATOM 1238 HE21 GLN B 26 -50.060 16.552 -16.922 1.00 0.00 H ATOM 1239 H GLN B 26 -52.195 20.933 -15.458 1.00 0.00 H ATOM 1240 N THR B 27 -55.827 19.009 -16.602 1.00 57.75 N ATOM 1241 CA THR B 27 -57.272 19.222 -16.534 1.00 59.39 C ATOM 1242 C THR B 27 -58.000 18.041 -15.881 1.00 57.96 C ATOM 1243 O THR B 27 -57.966 16.927 -16.391 1.00 58.30 O ATOM 1244 CB THR B 27 -57.874 19.452 -17.937 1.00 59.90 C ATOM 1245 OG1 THR B 27 -57.315 20.640 -18.501 1.00 61.86 O ATOM 1246 CG2 THR B 27 -59.378 19.598 -17.855 1.00 56.95 C ATOM 1247 HG1 THR B 27 -57.700 20.789 -19.401 1.00 0.00 H ATOM 1248 H THR B 27 -55.455 18.272 -17.235 1.00 0.00 H ATOM 1249 N VAL B 28 -58.668 18.298 -14.761 1.00 58.20 N ATOM 1250 CA VAL B 28 -59.383 17.258 -14.035 1.00 56.70 C ATOM 1251 C VAL B 28 -60.897 17.472 -14.028 1.00 58.43 C ATOM 1252 O VAL B 28 -61.390 18.445 -13.451 1.00 58.43 O ATOM 1253 CB VAL B 28 -58.913 17.173 -12.580 1.00 56.06 C ATOM 1254 CG1 VAL B 28 -59.617 16.043 -11.878 1.00 54.64 C ATOM 1255 CG2 VAL B 28 -57.410 16.977 -12.515 1.00 59.07 C ATOM 1256 H VAL B 28 -58.680 19.270 -14.392 1.00 0.00 H ATOM 1257 N ASN B 29 -61.624 16.556 -14.662 1.00 56.25 N ATOM 1258 CA ASN B 29 -63.085 16.516 -14.630 1.00 53.74 C ATOM 1259 C ASN B 29 -63.632 15.490 -13.653 1.00 54.91 C ATOM 1260 O ASN B 29 -63.199 14.319 -13.639 1.00 56.02 O ATOM 1261 CB ASN B 29 -63.633 16.205 -16.016 1.00 54.44 C ATOM 1262 CG ASN B 29 -63.300 17.280 -17.008 1.00 60.94 C ATOM 1263 OD1 ASN B 29 -63.831 18.397 -16.919 1.00 63.94 O ATOM 1264 ND2 ASN B 29 -62.410 16.975 -17.953 1.00 60.56 N ATOM 1265 HD22 ASN B 29 -61.992 16.023 -17.986 1.00 0.00 H ATOM 1266 HD21 ASN B 29 -62.134 17.689 -18.657 1.00 0.00 H ATOM 1267 H ASN B 29 -61.125 15.827 -15.211 1.00 0.00 H ATOM 1268 N VAL B 30 -64.572 15.914 -12.831 1.00 54.26 N ATOM 1269 CA VAL B 30 -65.260 14.999 -11.946 1.00 53.91 C ATOM 1270 C VAL B 30 -66.731 14.927 -12.361 1.00 56.51 C ATOM 1271 O VAL B 30 -67.444 15.948 -12.331 1.00 56.25 O ATOM 1272 CB VAL B 30 -65.150 15.440 -10.477 1.00 54.34 C ATOM 1273 CG1 VAL B 30 -65.690 14.348 -9.548 1.00 53.87 C ATOM 1274 CG2 VAL B 30 -63.724 15.804 -10.140 1.00 53.23 C ATOM 1275 H VAL B 30 -64.823 16.923 -12.819 1.00 0.00 H ATOM 1276 N LEU B 31 -67.182 13.748 -12.773 1.00 52.22 N ATOM 1277 CA LEU B 31 -68.567 13.572 -13.176 1.00 54.86 C ATOM 1278 C LEU B 31 -69.358 12.869 -12.087 1.00 55.65 C ATOM 1279 O LEU B 31 -68.875 11.923 -11.460 1.00 53.90 O ATOM 1280 CB LEU B 31 -68.676 12.786 -14.479 1.00 56.20 C ATOM 1281 CG LEU B 31 -67.966 13.347 -15.709 1.00 57.98 C ATOM 1282 CD1 LEU B 31 -66.585 12.765 -15.888 1.00 59.38 C ATOM 1283 CD2 LEU B 31 -68.801 13.070 -16.929 1.00 62.77 C ATOM 1284 H LEU B 31 -66.533 12.936 -12.808 1.00 0.00 H ATOM 1285 N VAL B 32 -70.562 13.363 -11.846 1.00 54.12 N ATOM 1286 CA VAL B 32 -71.485 12.744 -10.920 1.00 54.97 C ATOM 1287 C VAL B 32 -72.690 12.354 -11.752 1.00 58.53 C ATOM 1288 O VAL B 32 -73.207 13.186 -12.492 1.00 60.46 O ATOM 1289 CB VAL B 32 -71.886 13.693 -9.775 1.00 55.51 C ATOM 1290 CG1 VAL B 32 -73.135 13.208 -9.071 1.00 54.79 C ATOM 1291 CG2 VAL B 32 -70.743 13.852 -8.800 1.00 53.22 C ATOM 1292 H VAL B 32 -70.856 14.229 -12.341 1.00 0.00 H ATOM 1293 N ASN B 33 -73.114 11.097 -11.643 1.00 58.33 N ATOM 1294 CA ASN B 33 -74.119 10.513 -12.528 1.00 63.48 C ATOM 1295 C ASN B 33 -73.928 10.905 -13.997 1.00 63.70 C ATOM 1296 O ASN B 33 -74.857 11.403 -14.637 1.00 64.09 O ATOM 1297 CB ASN B 33 -75.526 10.901 -12.069 1.00 63.91 C ATOM 1298 CG ASN B 33 -76.572 9.853 -12.439 1.00 67.73 C ATOM 1299 OD1 ASN B 33 -77.400 9.461 -11.608 1.00 71.50 O ATOM 1300 ND2 ASN B 33 -76.540 9.392 -13.691 1.00 67.30 N ATOM 1301 HD22 ASN B 33 -75.827 9.749 -14.358 1.00 0.00 H ATOM 1302 HD21 ASN B 33 -77.228 8.676 -13.999 1.00 0.00 H ATOM 1303 H ASN B 33 -72.710 10.502 -10.892 1.00 0.00 H ATOM 1304 N ASN B 34 -72.718 10.688 -14.506 1.00 60.66 N ATOM 1305 CA ASN B 34 -72.369 10.929 -15.907 1.00 61.04 C ATOM 1306 C ASN B 34 -72.553 12.374 -16.372 1.00 61.85 C ATOM 1307 O ASN B 34 -72.667 12.644 -17.568 1.00 64.06 O ATOM 1308 CB ASN B 34 -73.163 9.997 -16.820 1.00 62.55 C ATOM 1309 CG ASN B 34 -72.876 8.528 -16.546 1.00 65.58 C ATOM 1310 OD1 ASN B 34 -71.740 8.059 -16.700 1.00 64.65 O ATOM 1311 ND2 ASN B 34 -73.910 7.789 -16.146 1.00 66.27 N ATOM 1312 HD22 ASN B 34 -74.847 8.225 -16.030 1.00 0.00 H ATOM 1313 HD21 ASN B 34 -73.780 6.776 -15.950 1.00 0.00 H ATOM 1314 H ASN B 34 -71.977 10.326 -13.872 1.00 0.00 H ATOM 1315 N GLU B 35 -72.547 13.308 -15.429 1.00 60.34 N ATOM 1316 CA GLU B 35 -72.601 14.714 -15.769 1.00 57.82 C ATOM 1317 C GLU B 35 -71.486 15.462 -15.034 1.00 59.98 C ATOM 1318 O GLU B 35 -71.268 15.248 -13.840 1.00 59.23 O ATOM 1319 CB GLU B 35 -73.993 15.294 -15.432 1.00 58.51 C ATOM 1320 H GLU B 35 -72.503 13.025 -14.429 1.00 0.00 H ATOM 1321 N THR B 36 -70.773 16.331 -15.751 1.00 58.63 N ATOM 1322 CA THR B 36 -69.723 17.126 -15.142 1.00 61.10 C ATOM 1323 C THR B 36 -70.248 17.935 -13.965 1.00 60.76 C ATOM 1324 O THR B 36 -71.303 18.538 -14.047 1.00 64.35 O ATOM 1325 CB THR B 36 -69.070 18.071 -16.157 1.00 62.19 C ATOM 1326 OG1 THR B 36 -68.404 17.291 -17.162 1.00 62.52 O ATOM 1327 CG2 THR B 36 -68.039 18.949 -15.464 1.00 60.82 C ATOM 1328 HG1 THR B 36 -67.980 17.896 -17.821 1.00 0.00 H ATOM 1329 H THR B 36 -70.973 16.441 -16.766 1.00 0.00 H ATOM 1330 N ALA B 37 -69.503 17.924 -12.866 1.00 60.14 N ATOM 1331 CA ALA B 37 -69.897 18.590 -11.634 1.00 59.26 C ATOM 1332 C ALA B 37 -68.749 19.433 -11.091 1.00 58.90 C ATOM 1333 O ALA B 37 -68.947 20.326 -10.267 1.00 61.65 O ATOM 1334 CB ALA B 37 -70.340 17.572 -10.599 1.00 57.45 C ATOM 1335 H ALA B 37 -68.596 17.416 -12.887 1.00 0.00 H ATOM 1336 N ALA B 38 -67.543 19.146 -11.554 1.00 56.53 N ATOM 1337 CA ALA B 38 -66.386 19.944 -11.175 1.00 57.04 C ATOM 1338 C ALA B 38 -65.296 19.809 -12.208 1.00 56.44 C ATOM 1339 O ALA B 38 -65.150 18.762 -12.855 1.00 57.70 O ATOM 1340 CB ALA B 38 -65.867 19.544 -9.801 1.00 56.93 C ATOM 1341 H ALA B 38 -67.420 18.339 -12.198 1.00 0.00 H ATOM 1342 N THR B 39 -64.525 20.877 -12.345 1.00 55.60 N ATOM 1343 CA THR B 39 -63.414 20.922 -13.276 1.00 57.28 C ATOM 1344 C THR B 39 -62.281 21.735 -12.672 1.00 57.81 C ATOM 1345 O THR B 39 -62.503 22.854 -12.221 1.00 56.98 O ATOM 1346 CB THR B 39 -63.831 21.533 -14.615 1.00 57.75 C ATOM 1347 OG1 THR B 39 -64.959 20.808 -15.131 1.00 56.68 O ATOM 1348 CG2 THR B 39 -62.680 21.487 -15.603 1.00 58.76 C ATOM 1349 HG1 THR B 39 -64.709 19.859 -15.261 1.00 0.00 H ATOM 1350 H THR B 39 -64.724 21.715 -11.763 1.00 0.00 H ATOM 1351 N PHE B 40 -61.085 21.153 -12.628 1.00 55.21 N ATOM 1352 CA PHE B 40 -59.919 21.853 -12.104 1.00 58.13 C ATOM 1353 C PHE B 40 -58.839 21.964 -13.180 1.00 59.39 C ATOM 1354 O PHE B 40 -58.646 21.039 -13.973 1.00 60.90 O ATOM 1355 CB PHE B 40 -59.322 21.139 -10.886 1.00 58.67 C ATOM 1356 CG PHE B 40 -60.306 20.811 -9.796 1.00 56.93 C ATOM 1357 CD1 PHE B 40 -61.346 21.664 -9.481 1.00 56.77 C ATOM 1358 CD2 PHE B 40 -60.152 19.647 -9.051 1.00 55.74 C ATOM 1359 CE1 PHE B 40 -62.234 21.348 -8.462 1.00 56.46 C ATOM 1360 CE2 PHE B 40 -61.036 19.332 -8.030 1.00 55.38 C ATOM 1361 CZ PHE B 40 -62.077 20.186 -7.735 1.00 55.02 C ATOM 1362 H PHE B 40 -60.980 20.178 -12.975 1.00 0.00 H ATOM 1363 N SER B 41 -58.112 23.072 -13.198 1.00 59.75 N ATOM 1364 CA SER B 41 -56.990 23.204 -14.122 1.00 59.87 C ATOM 1365 C SER B 41 -55.803 23.912 -13.484 1.00 59.92 C ATOM 1366 O SER B 41 -55.953 24.887 -12.718 1.00 62.88 O ATOM 1367 CB SER B 41 -57.413 23.953 -15.374 1.00 60.27 C ATOM 1368 OG SER B 41 -57.718 25.303 -15.047 1.00 66.29 O ATOM 1369 HG SER B 41 -56.917 25.737 -14.660 1.00 0.00 H ATOM 1370 H SER B 41 -58.342 23.852 -12.550 1.00 0.00 H ATOM 1371 N GLY B 42 -54.617 23.439 -13.834 1.00 58.91 N ATOM 1372 CA GLY B 42 -53.389 24.011 -13.317 1.00 57.35 C ATOM 1373 C GLY B 42 -52.126 23.282 -13.730 1.00 57.19 C ATOM 1374 O GLY B 42 -52.138 22.128 -14.183 1.00 56.90 O ATOM 1375 H GLY B 42 -54.565 22.638 -14.495 1.00 0.00 H ATOM 1376 N GLN B 43 -51.006 23.968 -13.560 1.00 57.38 N ATOM 1377 CA GLN B 43 -49.728 23.404 -13.902 1.00 55.99 C ATOM 1378 C GLN B 43 -48.819 23.570 -12.698 1.00 57.61 C ATOM 1379 O GLN B 43 -48.810 24.632 -12.056 1.00 57.04 O ATOM 1380 CB GLN B 43 -49.141 24.083 -15.145 1.00 58.95 C ATOM 1381 CG GLN B 43 -47.786 23.508 -15.628 1.00 58.15 C ATOM 1382 CD GLN B 43 -46.587 23.985 -14.807 1.00 58.23 C ATOM 1383 OE1 GLN B 43 -46.550 25.137 -14.358 1.00 56.76 O ATOM 1384 NE2 GLN B 43 -45.605 23.084 -14.591 1.00 54.36 N ATOM 1385 HE22 GLN B 43 -45.681 22.126 -14.990 1.00 0.00 H ATOM 1386 HE21 GLN B 43 -44.773 23.348 -14.026 1.00 0.00 H ATOM 1387 H GLN B 43 -51.051 24.932 -13.172 1.00 0.00 H ATOM 1388 N SER B 44 -48.075 22.510 -12.391 1.00 53.27 N ATOM 1389 CA SER B 44 -47.099 22.523 -11.314 1.00 53.96 C ATOM 1390 C SER B 44 -46.194 21.290 -11.396 1.00 53.44 C ATOM 1391 O SER B 44 -46.573 20.268 -11.946 1.00 52.32 O ATOM 1392 CB SER B 44 -47.792 22.586 -9.956 1.00 51.38 C ATOM 1393 OG SER B 44 -46.851 22.468 -8.909 1.00 53.44 O ATOM 1394 HG SER B 44 -47.320 22.511 -8.038 1.00 0.00 H ATOM 1395 H SER B 44 -48.197 21.638 -12.944 1.00 0.00 H ATOM 1396 N THR B 45 -44.985 21.401 -10.872 1.00 52.92 N ATOM 1397 CA THR B 45 -44.132 20.242 -10.756 1.00 53.65 C ATOM 1398 C THR B 45 -43.777 20.127 -9.288 1.00 53.98 C ATOM 1399 O THR B 45 -42.847 19.392 -8.909 1.00 55.69 O ATOM 1400 CB THR B 45 -42.849 20.340 -11.624 1.00 56.17 C ATOM 1401 OG1 THR B 45 -42.111 21.507 -11.254 1.00 55.36 O ATOM 1402 CG2 THR B 45 -43.192 20.407 -13.106 1.00 55.16 C ATOM 1403 HG1 THR B 45 -41.293 21.568 -11.808 1.00 0.00 H ATOM 1404 H THR B 45 -44.647 22.328 -10.542 1.00 0.00 H ATOM 1405 N ASN B 46 -44.530 20.855 -8.470 1.00 51.95 N ATOM 1406 CA ASN B 46 -44.290 20.893 -7.039 1.00 52.16 C ATOM 1407 C ASN B 46 -45.479 20.449 -6.181 1.00 51.34 C ATOM 1408 O ASN B 46 -45.609 20.862 -5.027 1.00 50.78 O ATOM 1409 CB ASN B 46 -43.865 22.303 -6.627 1.00 52.61 C ATOM 1410 CG ASN B 46 -42.680 22.283 -5.712 1.00 55.33 C ATOM 1411 OD1 ASN B 46 -41.783 21.427 -5.861 1.00 55.36 O ATOM 1412 ND2 ASN B 46 -42.670 23.187 -4.724 1.00 53.63 N ATOM 1413 HD22 ASN B 46 -43.442 23.879 -4.644 1.00 0.00 H ATOM 1414 HD21 ASN B 46 -41.890 23.197 -4.036 1.00 0.00 H ATOM 1415 H ASN B 46 -45.313 21.413 -8.866 1.00 0.00 H ATOM 1416 N ASN B 47 -46.327 19.594 -6.749 1.00 52.55 N ATOM 1417 CA ASN B 47 -47.474 19.028 -6.036 1.00 50.17 C ATOM 1418 C ASN B 47 -48.460 20.069 -5.576 1.00 51.80 C ATOM 1419 O ASN B 47 -49.136 19.879 -4.569 1.00 53.27 O ATOM 1420 CB ASN B 47 -47.022 18.222 -4.814 1.00 49.78 C ATOM 1421 CG ASN B 47 -47.988 17.108 -4.469 1.00 48.80 C ATOM 1422 OD1 ASN B 47 -48.533 16.469 -5.363 1.00 48.23 O ATOM 1423 ND2 ASN B 47 -48.227 16.894 -3.178 1.00 47.25 N ATOM 1424 HD22 ASN B 47 -47.739 17.463 -2.457 1.00 0.00 H ATOM 1425 HD21 ASN B 47 -48.902 16.157 -2.889 1.00 0.00 H ATOM 1426 H ASN B 47 -46.168 19.317 -7.739 1.00 0.00 H ATOM 1427 N ALA B 48 -48.553 21.177 -6.299 1.00 52.79 N ATOM 1428 CA ALA B 48 -49.485 22.221 -5.904 1.00 51.96 C ATOM 1429 C ALA B 48 -50.914 21.761 -6.097 1.00 52.14 C ATOM 1430 O ALA B 48 -51.236 21.087 -7.075 1.00 53.37 O ATOM 1431 CB ALA B 48 -49.231 23.525 -6.692 1.00 51.27 C ATOM 1432 H ALA B 48 -47.961 21.299 -7.146 1.00 0.00 H ATOM 1433 N VAL B 49 -51.766 22.123 -5.150 1.00 52.43 N ATOM 1434 CA VAL B 49 -53.192 21.860 -5.269 1.00 52.48 C ATOM 1435 C VAL B 49 -53.784 22.713 -6.369 1.00 53.04 C ATOM 1436 O VAL B 49 -53.716 23.925 -6.293 1.00 55.58 O ATOM 1437 CB VAL B 49 -53.924 22.164 -3.964 1.00 53.24 C ATOM 1438 CG1 VAL B 49 -55.422 21.945 -4.147 1.00 53.38 C ATOM 1439 CG2 VAL B 49 -53.388 21.279 -2.843 1.00 51.73 C ATOM 1440 H VAL B 49 -51.408 22.606 -4.302 1.00 0.00 H ATOM 1441 N ILE B 50 -54.350 22.101 -7.400 1.00 53.54 N ATOM 1442 CA ILE B 50 -54.930 22.880 -8.486 1.00 53.44 C ATOM 1443 C ILE B 50 -56.447 22.964 -8.369 1.00 55.44 C ATOM 1444 O ILE B 50 -57.123 23.569 -9.203 1.00 56.38 O ATOM 1445 CB ILE B 50 -54.549 22.314 -9.855 1.00 55.19 C ATOM 1446 CG1 ILE B 50 -55.020 20.867 -10.005 1.00 55.12 C ATOM 1447 CG2 ILE B 50 -53.031 22.398 -10.046 1.00 54.22 C ATOM 1448 CD1 ILE B 50 -54.876 20.345 -11.416 1.00 55.48 C ATOM 1449 H ILE B 50 -54.380 21.062 -7.434 1.00 0.00 H ATOM 1450 N GLY B 51 -56.989 22.392 -7.310 1.00 54.66 N ATOM 1451 CA GLY B 51 -58.427 22.466 -7.116 1.00 54.23 C ATOM 1452 C GLY B 51 -58.840 21.649 -5.922 1.00 53.13 C ATOM 1453 O GLY B 51 -58.231 20.632 -5.612 1.00 50.41 O ATOM 1454 H GLY B 51 -56.392 21.893 -6.620 1.00 0.00 H ATOM 1455 N THR B 52 -59.869 22.116 -5.234 1.00 53.91 N ATOM 1456 CA THR B 52 -60.434 21.371 -4.126 1.00 53.80 C ATOM 1457 C THR B 52 -61.850 21.856 -3.936 1.00 54.20 C ATOM 1458 O THR B 52 -62.123 23.043 -4.022 1.00 54.93 O ATOM 1459 CB THR B 52 -59.591 21.513 -2.821 1.00 56.79 C ATOM 1460 OG1 THR B 52 -60.225 20.789 -1.753 1.00 56.17 O ATOM 1461 CG2 THR B 52 -59.408 22.995 -2.420 1.00 56.27 C ATOM 1462 HG1 THR B 52 -60.292 19.832 -1.999 1.00 0.00 H ATOM 1463 H THR B 52 -60.281 23.035 -5.493 1.00 0.00 H ATOM 1464 N GLN B 53 -62.764 20.920 -3.719 1.00 52.03 N ATOM 1465 CA GLN B 53 -64.178 21.221 -3.759 1.00 52.45 C ATOM 1466 C GLN B 53 -64.968 20.093 -3.065 1.00 51.88 C ATOM 1467 O GLN B 53 -64.461 18.962 -2.896 1.00 47.35 O ATOM 1468 CB GLN B 53 -64.614 21.412 -5.222 1.00 54.59 C ATOM 1469 CG GLN B 53 -66.066 21.735 -5.452 1.00 53.67 C ATOM 1470 CD GLN B 53 -66.344 22.228 -6.873 1.00 56.36 C ATOM 1471 OE1 GLN B 53 -65.437 22.710 -7.573 1.00 56.73 O ATOM 1472 NE2 GLN B 53 -67.614 22.118 -7.301 1.00 58.35 N ATOM 1473 HE22 GLN B 53 -68.339 21.707 -6.678 1.00 0.00 H ATOM 1474 HE21 GLN B 53 -67.871 22.443 -8.255 1.00 0.00 H ATOM 1475 H GLN B 53 -62.457 19.947 -3.515 1.00 0.00 H ATOM 1476 N VAL B 54 -66.169 20.418 -2.606 1.00 47.41 N ATOM 1477 CA VAL B 54 -67.051 19.401 -2.055 1.00 47.88 C ATOM 1478 C VAL B 54 -68.177 19.156 -3.031 1.00 50.35 C ATOM 1479 O VAL B 54 -68.691 20.115 -3.605 1.00 52.74 O ATOM 1480 CB VAL B 54 -67.609 19.827 -0.702 1.00 47.69 C ATOM 1481 CG1 VAL B 54 -68.725 18.872 -0.240 1.00 47.63 C ATOM 1482 CG2 VAL B 54 -66.457 20.001 0.316 1.00 47.18 C ATOM 1483 H VAL B 54 -66.483 21.409 -2.640 1.00 0.00 H ATOM 1484 N LEU B 55 -68.544 17.891 -3.237 1.00 49.88 N ATOM 1485 CA LEU B 55 -69.650 17.535 -4.134 1.00 49.77 C ATOM 1486 C LEU B 55 -70.629 16.581 -3.481 1.00 49.00 C ATOM 1487 O LEU B 55 -70.346 16.022 -2.419 1.00 48.61 O ATOM 1488 CB LEU B 55 -69.116 16.902 -5.420 1.00 49.86 C ATOM 1489 CG LEU B 55 -68.165 17.779 -6.242 1.00 51.98 C ATOM 1490 CD1 LEU B 55 -67.720 17.026 -7.472 1.00 55.28 C ATOM 1491 CD2 LEU B 55 -68.860 19.054 -6.648 1.00 53.91 C ATOM 1492 H LEU B 55 -68.030 17.132 -2.746 1.00 0.00 H ATOM 1493 N ASN B 56 -71.788 16.397 -4.114 1.00 49.95 N ATOM 1494 CA ASN B 56 -72.772 15.423 -3.653 1.00 51.12 C ATOM 1495 C ASN B 56 -72.838 14.243 -4.632 1.00 51.84 C ATOM 1496 O ASN B 56 -72.811 14.438 -5.849 1.00 52.05 O ATOM 1497 CB ASN B 56 -74.166 16.065 -3.483 1.00 51.87 C ATOM 1498 CG ASN B 56 -75.149 15.137 -2.748 1.00 52.69 C ATOM 1499 OD1 ASN B 56 -75.603 14.120 -3.286 1.00 52.21 O ATOM 1500 ND2 ASN B 56 -75.462 15.481 -1.505 1.00 53.56 N ATOM 1501 HD22 ASN B 56 -75.060 16.344 -1.087 1.00 0.00 H ATOM 1502 HD21 ASN B 56 -76.110 14.887 -0.949 1.00 0.00 H ATOM 1503 H ASN B 56 -71.997 16.964 -4.961 1.00 0.00 H ATOM 1504 N SER B 57 -72.912 13.022 -4.102 1.00 51.28 N ATOM 1505 CA SER B 57 -72.896 11.827 -4.951 1.00 52.61 C ATOM 1506 C SER B 57 -74.232 11.552 -5.632 1.00 52.85 C ATOM 1507 O SER B 57 -74.323 10.669 -6.494 1.00 53.57 O ATOM 1508 CB SER B 57 -72.484 10.591 -4.143 1.00 51.23 C ATOM 1509 OG SER B 57 -73.401 10.336 -3.093 1.00 50.81 O ATOM 1510 HG SER B 57 -73.110 9.535 -2.590 1.00 0.00 H ATOM 1511 H SER B 57 -72.982 12.916 -3.070 1.00 0.00 H ATOM 1512 N GLY B 58 -75.270 12.290 -5.231 1.00 53.70 N ATOM 1513 CA GLY B 58 -76.554 12.230 -5.892 1.00 51.32 C ATOM 1514 C GLY B 58 -77.182 10.874 -5.654 1.00 54.59 C ATOM 1515 O GLY B 58 -76.658 10.082 -4.858 1.00 53.84 O ATOM 1516 H GLY B 58 -75.151 12.928 -4.418 1.00 0.00 H ATOM 1517 N SER B 59 -78.284 10.596 -6.350 1.00 52.96 N ATOM 1518 CA SER B 59 -79.050 9.371 -6.126 1.00 55.69 C ATOM 1519 C SER B 59 -78.334 8.096 -6.577 1.00 55.96 C ATOM 1520 O SER B 59 -78.498 7.063 -5.945 1.00 57.89 O ATOM 1521 CB SER B 59 -80.406 9.467 -6.823 1.00 58.37 C ATOM 1522 OG SER B 59 -80.239 9.991 -8.125 1.00 62.18 O ATOM 1523 HG SER B 59 -81.121 10.051 -8.571 1.00 0.00 H ATOM 1524 H SER B 59 -78.608 11.270 -7.073 1.00 0.00 H ATOM 1525 N SER B 60 -77.544 8.161 -7.652 1.00 57.00 N ATOM 1526 CA SER B 60 -76.784 6.987 -8.137 1.00 58.64 C ATOM 1527 C SER B 60 -75.514 6.683 -7.329 1.00 55.05 C ATOM 1528 O SER B 60 -75.124 5.532 -7.158 1.00 54.87 O ATOM 1529 CB SER B 60 -76.377 7.187 -9.600 1.00 61.22 C ATOM 1530 OG SER B 60 -75.324 8.138 -9.707 1.00 60.34 O ATOM 1531 HG SER B 60 -75.078 8.251 -10.659 1.00 0.00 H ATOM 1532 H SER B 60 -77.460 9.063 -8.163 1.00 0.00 H ATOM 1533 N GLY B 61 -74.841 7.727 -6.870 1.00 53.35 N ATOM 1534 CA GLY B 61 -73.608 7.541 -6.135 1.00 52.07 C ATOM 1535 C GLY B 61 -72.418 7.278 -7.039 1.00 51.01 C ATOM 1536 O GLY B 61 -71.318 7.063 -6.554 1.00 51.01 O ATOM 1537 H GLY B 61 -75.201 8.688 -7.039 1.00 0.00 H ATOM 1538 N LYS B 62 -72.633 7.314 -8.349 1.00 51.51 N ATOM 1539 CA LYS B 62 -71.571 7.111 -9.321 1.00 51.89 C ATOM 1540 C LYS B 62 -70.697 8.377 -9.517 1.00 54.56 C ATOM 1541 O LYS B 62 -71.192 9.461 -9.877 1.00 52.30 O ATOM 1542 CB LYS B 62 -72.157 6.675 -10.659 1.00 52.48 C ATOM 1543 CG LYS B 62 -71.099 6.475 -11.717 1.00 56.14 C ATOM 1544 CD LYS B 62 -71.691 5.930 -13.002 1.00 59.38 C ATOM 1545 CE LYS B 62 -70.597 5.830 -14.062 1.00 59.66 C ATOM 1546 NZ LYS B 62 -71.113 5.216 -15.315 1.00 63.45 N ATOM 1547 HZ1 LYS B 62 -71.465 4.259 -15.111 1.00 0.00 H ATOM 1548 HZ2 LYS B 62 -71.887 5.799 -15.692 1.00 0.00 H ATOM 1549 HZ3 LYS B 62 -70.346 5.162 -16.015 1.00 0.00 H ATOM 1550 H LYS B 62 -73.598 7.494 -8.693 1.00 0.00 H ATOM 1551 N VAL B 63 -69.396 8.228 -9.278 1.00 50.49 N ATOM 1552 CA VAL B 63 -68.460 9.324 -9.438 1.00 49.62 C ATOM 1553 C VAL B 63 -67.359 8.907 -10.401 1.00 51.86 C ATOM 1554 O VAL B 63 -66.777 7.830 -10.244 1.00 51.58 O ATOM 1555 CB VAL B 63 -67.828 9.739 -8.097 1.00 49.65 C ATOM 1556 CG1 VAL B 63 -66.830 10.877 -8.308 1.00 48.98 C ATOM 1557 CG2 VAL B 63 -68.891 10.121 -7.076 1.00 48.07 C ATOM 1558 H VAL B 63 -69.041 7.301 -8.968 1.00 0.00 H ATOM 1559 N GLN B 64 -67.062 9.733 -11.397 1.00 50.85 N ATOM 1560 CA GLN B 64 -66.003 9.397 -12.331 1.00 50.26 C ATOM 1561 C GLN B 64 -65.012 10.529 -12.420 1.00 54.17 C ATOM 1562 O GLN B 64 -65.410 11.696 -12.553 1.00 52.60 O ATOM 1563 CB GLN B 64 -66.557 9.081 -13.719 1.00 51.00 C ATOM 1564 CG GLN B 64 -65.470 8.946 -14.769 1.00 51.61 C ATOM 1565 CD GLN B 64 -65.889 8.077 -15.934 1.00 53.69 C ATOM 1566 OE1 GLN B 64 -67.052 7.757 -16.077 1.00 54.64 O ATOM 1567 NE2 GLN B 64 -64.925 7.654 -16.751 1.00 54.30 N ATOM 1568 HE22 GLN B 64 -63.941 7.952 -16.593 1.00 0.00 H ATOM 1569 HE21 GLN B 64 -65.156 7.026 -17.547 1.00 0.00 H ATOM 1570 H GLN B 64 -67.589 10.623 -11.508 1.00 0.00 H ATOM 1571 N VAL B 65 -63.722 10.188 -12.342 1.00 51.26 N ATOM 1572 CA VAL B 65 -62.658 11.163 -12.503 1.00 50.85 C ATOM 1573 C VAL B 65 -62.013 10.994 -13.864 1.00 52.71 C ATOM 1574 O VAL B 65 -61.697 9.888 -14.275 1.00 53.76 O ATOM 1575 CB VAL B 65 -61.594 11.006 -11.419 1.00 49.37 C ATOM 1576 CG1 VAL B 65 -60.415 11.927 -11.679 1.00 51.55 C ATOM 1577 CG2 VAL B 65 -62.198 11.241 -10.060 1.00 49.72 C ATOM 1578 H VAL B 65 -63.473 9.195 -12.161 1.00 0.00 H ATOM 1579 N GLN B 66 -61.835 12.089 -14.576 1.00 53.96 N ATOM 1580 CA GLN B 66 -61.106 12.077 -15.829 1.00 54.79 C ATOM 1581 C GLN B 66 -59.985 13.084 -15.755 1.00 55.74 C ATOM 1582 O GLN B 66 -60.120 14.114 -15.084 1.00 56.69 O ATOM 1583 CB GLN B 66 -62.021 12.417 -16.994 1.00 57.16 C ATOM 1584 CG GLN B 66 -63.054 11.387 -17.259 1.00 57.49 C ATOM 1585 CD GLN B 66 -63.976 11.780 -18.394 1.00 60.58 C ATOM 1586 OE1 GLN B 66 -64.430 12.924 -18.476 1.00 63.72 O ATOM 1587 NE2 GLN B 66 -64.256 10.834 -19.280 1.00 63.76 N ATOM 1588 HE22 GLN B 66 -63.850 9.883 -19.171 1.00 0.00 H ATOM 1589 HE21 GLN B 66 -64.881 11.043 -20.084 1.00 0.00 H ATOM 1590 H GLN B 66 -62.229 12.987 -14.229 1.00 0.00 H ATOM 1591 N VAL B 67 -58.885 12.791 -16.440 1.00 54.91 N ATOM 1592 CA VAL B 67 -57.752 13.706 -16.537 1.00 57.19 C ATOM 1593 C VAL B 67 -57.348 13.860 -17.999 1.00 58.60 C ATOM 1594 O VAL B 67 -57.196 12.871 -18.721 1.00 61.75 O ATOM 1595 CB VAL B 67 -56.532 13.215 -15.719 1.00 55.27 C ATOM 1596 CG1 VAL B 67 -55.378 14.190 -15.852 1.00 56.97 C ATOM 1597 CG2 VAL B 67 -56.892 13.002 -14.247 1.00 52.93 C ATOM 1598 H VAL B 67 -58.829 11.873 -16.926 1.00 0.00 H ATOM 1599 N SER B 68 -57.203 15.102 -18.432 1.00 59.63 N ATOM 1600 CA SER B 68 -56.691 15.434 -19.757 1.00 61.57 C ATOM 1601 C SER B 68 -55.505 16.387 -19.639 1.00 62.46 C ATOM 1602 O SER B 68 -55.395 17.169 -18.690 1.00 59.32 O ATOM 1603 CB SER B 68 -57.771 16.084 -20.634 1.00 63.01 C ATOM 1604 OG SER B 68 -58.607 15.103 -21.234 1.00 67.82 O ATOM 1605 HG SER B 68 -59.291 15.551 -21.792 1.00 0.00 H ATOM 1606 H SER B 68 -57.467 15.881 -17.795 1.00 0.00 H ATOM 1607 N VAL B 69 -54.615 16.314 -20.610 1.00 62.83 N ATOM 1608 CA VAL B 69 -53.614 17.338 -20.750 1.00 64.53 C ATOM 1609 C VAL B 69 -53.741 17.901 -22.148 1.00 66.86 C ATOM 1610 O VAL B 69 -53.513 17.183 -23.129 1.00 66.58 O ATOM 1611 CB VAL B 69 -52.207 16.810 -20.498 1.00 62.39 C ATOM 1612 CG1 VAL B 69 -51.185 17.877 -20.851 1.00 64.67 C ATOM 1613 CG2 VAL B 69 -52.066 16.403 -19.037 1.00 61.23 C ATOM 1614 H VAL B 69 -54.637 15.515 -21.275 1.00 0.00 H ATOM 1615 N ASN B 70 -54.132 19.179 -22.222 1.00 69.30 N ATOM 1616 CA ASN B 70 -54.378 19.848 -23.491 1.00 67.97 C ATOM 1617 C ASN B 70 -55.291 19.014 -24.401 1.00 67.77 C ATOM 1618 O ASN B 70 -54.983 18.797 -25.568 1.00 69.59 O ATOM 1619 CB ASN B 70 -53.047 20.147 -24.189 1.00 67.37 C ATOM 1620 CG ASN B 70 -52.186 21.143 -23.412 1.00 72.01 C ATOM 1621 OD1 ASN B 70 -52.674 22.186 -22.958 1.00 74.34 O ATOM 1622 ND2 ASN B 70 -50.898 20.830 -23.262 1.00 69.54 N ATOM 1623 HD22 ASN B 70 -50.529 19.943 -23.660 1.00 0.00 H ATOM 1624 HD21 ASN B 70 -50.263 21.473 -22.747 1.00 0.00 H ATOM 1625 H ASN B 70 -54.265 19.714 -21.340 1.00 0.00 H ATOM 1626 N GLY B 71 -56.405 18.534 -23.861 1.00 66.37 N ATOM 1627 CA GLY B 71 -57.315 17.708 -24.637 1.00 68.60 C ATOM 1628 C GLY B 71 -56.974 16.219 -24.732 1.00 68.45 C ATOM 1629 O GLY B 71 -57.798 15.425 -25.202 1.00 67.08 O ATOM 1630 H GLY B 71 -56.629 18.752 -22.869 1.00 0.00 H ATOM 1631 N ARG B 72 -55.775 15.833 -24.289 1.00 66.26 N ATOM 1632 CA ARG B 72 -55.326 14.437 -24.382 1.00 65.42 C ATOM 1633 C ARG B 72 -55.596 13.638 -23.094 1.00 64.42 C ATOM 1634 O ARG B 72 -55.023 13.946 -22.046 1.00 64.36 O ATOM 1635 CB ARG B 72 -53.829 14.386 -24.725 1.00 65.13 C ATOM 1636 H ARG B 72 -55.141 16.541 -23.866 1.00 0.00 H ATOM 1637 N PRO B 73 -56.475 12.613 -23.169 1.00 63.29 N ATOM 1638 CA PRO B 73 -56.763 11.745 -22.015 1.00 62.33 C ATOM 1639 C PRO B 73 -55.507 11.121 -21.424 1.00 60.56 C ATOM 1640 O PRO B 73 -54.729 10.528 -22.164 1.00 61.55 O ATOM 1641 CB PRO B 73 -57.668 10.650 -22.602 1.00 61.64 C ATOM 1642 CG PRO B 73 -58.293 11.271 -23.795 1.00 63.17 C ATOM 1643 CD PRO B 73 -57.268 12.231 -24.353 1.00 64.38 C ATOM 1644 N SER B 74 -55.318 11.255 -20.114 1.00 58.18 N ATOM 1645 CA SER B 74 -54.202 10.615 -19.431 1.00 56.04 C ATOM 1646 C SER B 74 -54.565 9.188 -18.995 1.00 55.65 C ATOM 1647 O SER B 74 -55.722 8.886 -18.712 1.00 54.75 O ATOM 1648 CB SER B 74 -53.766 11.444 -18.219 1.00 55.78 C ATOM 1649 OG SER B 74 -53.217 12.709 -18.606 1.00 56.28 O ATOM 1650 HG SER B 74 -52.948 13.212 -17.797 1.00 0.00 H ATOM 1651 H SER B 74 -55.985 11.832 -19.563 1.00 0.00 H ATOM 1652 N ASP B 75 -53.574 8.306 -18.945 1.00 53.88 N ATOM 1653 CA ASP B 75 -53.812 6.935 -18.481 1.00 51.90 C ATOM 1654 C ASP B 75 -54.023 6.955 -16.975 1.00 50.86 C ATOM 1655 O ASP B 75 -53.227 7.529 -16.241 1.00 51.99 O ATOM 1656 CB ASP B 75 -52.639 6.027 -18.852 1.00 48.48 C ATOM 1657 CG ASP B 75 -52.890 4.548 -18.489 1.00 51.99 C ATOM 1658 OD1 ASP B 75 -54.050 4.073 -18.588 1.00 52.66 O ATOM 1659 OD2 ASP B 75 -51.913 3.867 -18.110 1.00 51.31 O ATOM 1660 H ASP B 75 -52.618 8.590 -19.238 1.00 0.00 H ATOM 1661 N LEU B 76 -55.092 6.344 -16.504 1.00 49.04 N ATOM 1662 CA LEU B 76 -55.389 6.413 -15.082 1.00 49.75 C ATOM 1663 C LEU B 76 -55.086 5.112 -14.332 1.00 50.53 C ATOM 1664 O LEU B 76 -55.201 4.024 -14.889 1.00 50.39 O ATOM 1665 CB LEU B 76 -56.867 6.766 -14.870 1.00 49.71 C ATOM 1666 CG LEU B 76 -57.466 7.973 -15.603 1.00 49.89 C ATOM 1667 CD1 LEU B 76 -58.933 8.100 -15.213 1.00 47.61 C ATOM 1668 CD2 LEU B 76 -56.709 9.231 -15.248 1.00 49.40 C ATOM 1669 H LEU B 76 -55.719 5.816 -17.145 1.00 0.00 H ATOM 1670 N VAL B 77 -54.694 5.237 -13.066 1.00 49.40 N ATOM 1671 CA VAL B 77 -54.726 4.117 -12.128 1.00 48.36 C ATOM 1672 C VAL B 77 -55.575 4.529 -10.938 1.00 47.39 C ATOM 1673 O VAL B 77 -55.561 5.694 -10.543 1.00 47.23 O ATOM 1674 CB VAL B 77 -53.322 3.703 -11.634 1.00 48.56 C ATOM 1675 CG1 VAL B 77 -52.533 3.144 -12.762 1.00 48.53 C ATOM 1676 CG2 VAL B 77 -52.593 4.902 -11.019 1.00 46.03 C ATOM 1677 H VAL B 77 -54.354 6.162 -12.734 1.00 0.00 H ATOM 1678 N SER B 78 -56.330 3.601 -10.369 1.00 44.51 N ATOM 1679 CA SER B 78 -57.109 3.950 -9.198 1.00 45.81 C ATOM 1680 C SER B 78 -57.343 2.827 -8.239 1.00 45.24 C ATOM 1681 O SER B 78 -57.253 1.660 -8.586 1.00 44.67 O ATOM 1682 CB SER B 78 -58.487 4.508 -9.595 1.00 45.27 C ATOM 1683 OG SER B 78 -59.161 3.634 -10.466 1.00 45.79 O ATOM 1684 HG SER B 78 -59.291 2.760 -10.019 1.00 0.00 H ATOM 1685 H SER B 78 -56.363 2.637 -10.757 1.00 0.00 H ATOM 1686 N ALA B 79 -57.733 3.214 -7.035 1.00 45.30 N ATOM 1687 CA ALA B 79 -58.149 2.257 -6.034 1.00 44.99 C ATOM 1688 C ALA B 79 -58.957 2.997 -4.971 1.00 44.48 C ATOM 1689 O ALA B 79 -58.840 4.221 -4.822 1.00 41.62 O ATOM 1690 CB ALA B 79 -56.952 1.572 -5.430 1.00 41.29 C ATOM 1691 H ALA B 79 -57.740 4.228 -6.804 1.00 0.00 H ATOM 1692 N GLN B 80 -59.759 2.245 -4.230 1.00 41.31 N ATOM 1693 CA GLN B 80 -60.451 2.759 -3.062 1.00 41.73 C ATOM 1694 C GLN B 80 -59.940 2.028 -1.834 1.00 43.13 C ATOM 1695 O GLN B 80 -59.670 0.823 -1.885 1.00 45.19 O ATOM 1696 CB GLN B 80 -61.971 2.597 -3.202 1.00 42.96 C ATOM 1697 CG GLN B 80 -62.770 3.029 -1.962 1.00 43.67 C ATOM 1698 CD GLN B 80 -64.280 2.945 -2.155 1.00 45.73 C ATOM 1699 OE1 GLN B 80 -64.770 2.789 -3.278 1.00 48.16 O ATOM 1700 NE2 GLN B 80 -65.024 3.033 -1.053 1.00 44.92 N ATOM 1701 HE22 GLN B 80 -64.569 3.164 -0.127 1.00 0.00 H ATOM 1702 HE21 GLN B 80 -66.060 2.970 -1.119 1.00 0.00 H ATOM 1703 H GLN B 80 -59.898 1.249 -4.496 1.00 0.00 H ATOM 1704 N VAL B 81 -59.809 2.736 -0.729 1.00 42.39 N ATOM 1705 CA VAL B 81 -59.393 2.118 0.508 1.00 42.85 C ATOM 1706 C VAL B 81 -60.232 2.688 1.637 1.00 44.63 C ATOM 1707 O VAL B 81 -60.550 3.887 1.674 1.00 44.64 O ATOM 1708 CB VAL B 81 -57.855 2.302 0.746 1.00 47.84 C ATOM 1709 CG1 VAL B 81 -57.405 3.630 0.284 1.00 46.12 C ATOM 1710 CG2 VAL B 81 -57.435 2.022 2.202 1.00 47.32 C ATOM 1711 H VAL B 81 -60.009 3.756 -0.749 1.00 0.00 H ATOM 1712 N ILE B 82 -60.650 1.789 2.519 1.00 44.06 N ATOM 1713 CA ILE B 82 -61.496 2.104 3.648 1.00 42.53 C ATOM 1714 C ILE B 82 -60.773 1.783 4.939 1.00 44.17 C ATOM 1715 O ILE B 82 -60.235 0.675 5.102 1.00 43.70 O ATOM 1716 CB ILE B 82 -62.822 1.302 3.595 1.00 42.78 C ATOM 1717 CG1 ILE B 82 -63.413 1.375 2.190 1.00 43.50 C ATOM 1718 CG2 ILE B 82 -63.788 1.805 4.641 1.00 42.92 C ATOM 1719 CD1 ILE B 82 -64.774 0.714 2.042 1.00 46.14 C ATOM 1720 H ILE B 82 -60.352 0.801 2.391 1.00 0.00 H ATOM 1721 N LEU B 83 -60.770 2.745 5.852 1.00 42.77 N ATOM 1722 CA LEU B 83 -60.082 2.626 7.132 1.00 43.35 C ATOM 1723 C LEU B 83 -61.089 2.564 8.276 1.00 44.10 C ATOM 1724 O LEU B 83 -62.100 3.271 8.263 1.00 45.33 O ATOM 1725 CB LEU B 83 -59.133 3.802 7.327 1.00 42.61 C ATOM 1726 CG LEU B 83 -57.639 3.724 7.070 1.00 45.33 C ATOM 1727 CD1 LEU B 83 -57.174 2.624 6.040 1.00 46.61 C ATOM 1728 CD2 LEU B 83 -57.062 5.097 6.764 1.00 43.50 C ATOM 1729 H LEU B 83 -61.283 3.626 5.645 1.00 0.00 H ATOM 1730 N THR B 84 -60.792 1.716 9.260 1.00 44.70 N ATOM 1731 CA THR B 84 -61.697 1.331 10.349 1.00 44.13 C ATOM 1732 C THR B 84 -63.187 1.314 9.952 1.00 45.00 C ATOM 1733 O THR B 84 -64.065 1.722 10.720 1.00 43.43 O ATOM 1734 CB THR B 84 -61.481 2.227 11.607 1.00 46.97 C ATOM 1735 OG1 THR B 84 -62.314 1.759 12.674 1.00 47.16 O ATOM 1736 CG2 THR B 84 -61.779 3.739 11.345 1.00 45.10 C ATOM 1737 HG1 THR B 84 -63.263 1.804 12.395 1.00 0.00 H ATOM 1738 H THR B 84 -59.842 1.293 9.256 1.00 0.00 H ATOM 1739 N ASN B 85 -63.444 0.795 8.751 1.00 44.93 N ATOM 1740 CA ASN B 85 -64.791 0.536 8.240 1.00 44.91 C ATOM 1741 C ASN B 85 -65.628 1.794 8.189 1.00 44.91 C ATOM 1742 O ASN B 85 -66.861 1.717 8.207 1.00 46.32 O ATOM 1743 CB ASN B 85 -65.517 -0.542 9.086 1.00 44.35 C ATOM 1744 CG ASN B 85 -66.727 -1.151 8.362 1.00 46.33 C ATOM 1745 OD1 ASN B 85 -66.681 -1.402 7.156 1.00 46.24 O ATOM 1746 ND2 ASN B 85 -67.826 -1.350 9.092 1.00 46.12 N ATOM 1747 HD22 ASN B 85 -67.824 -1.125 10.107 1.00 0.00 H ATOM 1748 HD21 ASN B 85 -68.685 -1.730 8.646 1.00 0.00 H ATOM 1749 H ASN B 85 -62.637 0.559 8.139 1.00 0.00 H ATOM 1750 N GLU B 86 -64.963 2.952 8.104 1.00 44.62 N ATOM 1751 CA GLU B 86 -65.662 4.231 8.187 1.00 45.58 C ATOM 1752 C GLU B 86 -65.069 5.344 7.300 1.00 47.14 C ATOM 1753 O GLU B 86 -65.795 6.060 6.599 1.00 48.75 O ATOM 1754 CB GLU B 86 -65.685 4.691 9.646 1.00 46.51 C ATOM 1755 CG GLU B 86 -66.101 6.158 9.828 1.00 50.91 C ATOM 1756 CD GLU B 86 -67.577 6.384 9.510 1.00 51.31 C ATOM 1757 OE1 GLU B 86 -67.971 7.545 9.296 1.00 52.90 O ATOM 1758 OE2 GLU B 86 -68.344 5.396 9.477 1.00 55.14 O ATOM 1759 H GLU B 86 -63.931 2.941 7.977 1.00 0.00 H ATOM 1760 N LEU B 87 -63.753 5.508 7.335 1.00 46.07 N ATOM 1761 CA LEU B 87 -63.125 6.591 6.582 1.00 45.02 C ATOM 1762 C LEU B 87 -62.760 6.111 5.180 1.00 44.36 C ATOM 1763 O LEU B 87 -62.007 5.169 5.004 1.00 44.62 O ATOM 1764 CB LEU B 87 -61.898 7.112 7.324 1.00 42.16 C ATOM 1765 CG LEU B 87 -61.142 8.211 6.595 1.00 42.46 C ATOM 1766 CD1 LEU B 87 -61.947 9.528 6.564 1.00 44.22 C ATOM 1767 CD2 LEU B 87 -59.798 8.393 7.264 1.00 44.30 C ATOM 1768 H LEU B 87 -63.166 4.863 7.901 1.00 0.00 H ATOM 1769 N ASN B 88 -63.327 6.752 4.174 1.00 44.96 N ATOM 1770 CA ASN B 88 -63.132 6.322 2.794 1.00 44.98 C ATOM 1771 C ASN B 88 -62.175 7.205 1.966 1.00 45.08 C ATOM 1772 O ASN B 88 -62.247 8.432 2.014 1.00 45.66 O ATOM 1773 CB ASN B 88 -64.489 6.265 2.092 1.00 43.65 C ATOM 1774 CG ASN B 88 -65.336 5.063 2.525 1.00 45.30 C ATOM 1775 OD1 ASN B 88 -65.441 4.090 1.797 1.00 45.54 O ATOM 1776 ND2 ASN B 88 -65.936 5.139 3.706 1.00 45.14 N ATOM 1777 HD22 ASN B 88 -65.819 5.988 4.295 1.00 0.00 H ATOM 1778 HD21 ASN B 88 -66.523 4.349 4.043 1.00 0.00 H ATOM 1779 H ASN B 88 -63.925 7.580 4.370 1.00 0.00 H ATOM 1780 N PHE B 89 -61.315 6.563 1.186 1.00 43.51 N ATOM 1781 CA PHE B 89 -60.478 7.229 0.200 1.00 43.34 C ATOM 1782 C PHE B 89 -60.679 6.631 -1.174 1.00 44.53 C ATOM 1783 O PHE B 89 -60.599 5.399 -1.346 1.00 46.81 O ATOM 1784 CB PHE B 89 -58.991 7.110 0.557 1.00 43.38 C ATOM 1785 CG PHE B 89 -58.607 7.838 1.798 1.00 44.65 C ATOM 1786 CD1 PHE B 89 -58.235 9.180 1.746 1.00 44.66 C ATOM 1787 CD2 PHE B 89 -58.601 7.183 3.019 1.00 45.15 C ATOM 1788 CE1 PHE B 89 -57.872 9.865 2.888 1.00 44.07 C ATOM 1789 CE2 PHE B 89 -58.243 7.869 4.169 1.00 46.05 C ATOM 1790 CZ PHE B 89 -57.871 9.213 4.101 1.00 45.00 C ATOM 1791 H PHE B 89 -61.235 5.531 1.284 1.00 0.00 H ATOM 1792 N ALA B 90 -60.905 7.482 -2.155 1.00 42.08 N ATOM 1793 CA ALA B 90 -60.854 7.094 -3.549 1.00 42.90 C ATOM 1794 C ALA B 90 -59.706 7.830 -4.204 1.00 45.71 C ATOM 1795 O ALA B 90 -59.694 9.085 -4.249 1.00 47.95 O ATOM 1796 CB ALA B 90 -62.173 7.402 -4.250 1.00 43.42 C ATOM 1797 H ALA B 90 -61.128 8.470 -1.919 1.00 0.00 H ATOM 1798 N LEU B 91 -58.754 7.064 -4.720 1.00 44.26 N ATOM 1799 CA LEU B 91 -57.447 7.556 -5.149 1.00 46.71 C ATOM 1800 C LEU B 91 -57.229 7.395 -6.649 1.00 46.97 C ATOM 1801 O LEU B 91 -57.495 6.327 -7.204 1.00 46.81 O ATOM 1802 CB LEU B 91 -56.334 6.798 -4.403 1.00 46.30 C ATOM 1803 CG LEU B 91 -56.467 6.808 -2.883 1.00 46.55 C ATOM 1804 CD1 LEU B 91 -55.540 5.793 -2.239 1.00 44.87 C ATOM 1805 CD2 LEU B 91 -56.215 8.228 -2.348 1.00 44.46 C ATOM 1806 H LEU B 91 -58.951 6.048 -4.826 1.00 0.00 H ATOM 1807 N VAL B 92 -56.712 8.434 -7.298 1.00 45.97 N ATOM 1808 CA VAL B 92 -56.407 8.367 -8.727 1.00 45.37 C ATOM 1809 C VAL B 92 -55.047 8.969 -9.046 1.00 48.10 C ATOM 1810 O VAL B 92 -54.750 10.093 -8.626 1.00 49.30 O ATOM 1811 CB VAL B 92 -57.451 9.107 -9.591 1.00 48.37 C ATOM 1812 CG1 VAL B 92 -57.012 9.100 -11.063 1.00 48.29 C ATOM 1813 CG2 VAL B 92 -58.845 8.520 -9.417 1.00 44.85 C ATOM 1814 H VAL B 92 -56.520 9.314 -6.778 1.00 0.00 H ATOM 1815 N GLY B 93 -54.212 8.232 -9.777 1.00 45.54 N ATOM 1816 CA GLY B 93 -53.040 8.841 -10.381 1.00 46.90 C ATOM 1817 C GLY B 93 -53.186 8.772 -11.879 1.00 47.71 C ATOM 1818 O GLY B 93 -54.014 8.026 -12.370 1.00 50.36 O ATOM 1819 H GLY B 93 -54.400 7.219 -9.915 1.00 0.00 H ATOM 1820 N SER B 94 -52.394 9.545 -12.605 1.00 49.27 N ATOM 1821 CA SER B 94 -52.534 9.624 -14.058 1.00 51.16 C ATOM 1822 C SER B 94 -51.188 9.863 -14.727 1.00 51.24 C ATOM 1823 O SER B 94 -50.305 10.465 -14.131 1.00 51.91 O ATOM 1824 CB SER B 94 -53.503 10.745 -14.450 1.00 51.71 C ATOM 1825 OG SER B 94 -53.139 11.985 -13.838 1.00 51.43 O ATOM 1826 HG SER B 94 -53.156 11.883 -12.853 1.00 0.00 H ATOM 1827 H SER B 94 -51.658 10.107 -12.132 1.00 0.00 H ATOM 1828 N GLU B 95 -51.045 9.403 -15.969 1.00 52.01 N ATOM 1829 CA GLU B 95 -49.814 9.600 -16.715 1.00 53.86 C ATOM 1830 C GLU B 95 -50.086 10.278 -18.049 1.00 54.33 C ATOM 1831 O GLU B 95 -50.870 9.774 -18.858 1.00 51.67 O ATOM 1832 CB GLU B 95 -49.079 8.265 -16.955 1.00 51.91 C ATOM 1833 CG GLU B 95 -47.789 8.439 -17.782 1.00 52.72 C ATOM 1834 CD GLU B 95 -46.790 9.380 -17.121 1.00 54.83 C ATOM 1835 OE1 GLU B 95 -46.455 9.145 -15.939 1.00 53.73 O ATOM 1836 OE2 GLU B 95 -46.336 10.365 -17.762 1.00 56.17 O ATOM 1837 H GLU B 95 -51.833 8.891 -16.415 1.00 0.00 H ATOM 1838 N ASP B 96 -49.395 11.398 -18.280 1.00 55.87 N ATOM 1839 CA ASP B 96 -49.589 12.192 -19.493 1.00 57.43 C ATOM 1840 C ASP B 96 -48.446 11.990 -20.479 1.00 57.69 C ATOM 1841 O ASP B 96 -48.465 12.524 -21.593 1.00 59.39 O ATOM 1842 CB ASP B 96 -49.751 13.697 -19.162 1.00 56.07 C ATOM 1843 CG ASP B 96 -48.493 14.341 -18.521 1.00 57.23 C ATOM 1844 OD1 ASP B 96 -47.342 13.894 -18.753 1.00 57.37 O ATOM 1845 OD2 ASP B 96 -48.663 15.342 -17.783 1.00 56.80 O ATOM 1846 H ASP B 96 -48.698 11.715 -17.576 1.00 0.00 H ATOM 1847 N GLY B 97 -47.447 11.229 -20.063 1.00 55.61 N ATOM 1848 CA GLY B 97 -46.233 11.127 -20.848 1.00 57.75 C ATOM 1849 C GLY B 97 -45.647 9.733 -20.915 1.00 56.55 C ATOM 1850 O GLY B 97 -46.349 8.745 -21.166 1.00 58.19 O ATOM 1851 H GLY B 97 -47.533 10.703 -19.170 1.00 0.00 H ATOM 1852 N THR B 98 -44.346 9.647 -20.681 1.00 57.47 N ATOM 1853 CA THR B 98 -43.628 8.408 -20.932 1.00 57.34 C ATOM 1854 C THR B 98 -42.811 7.930 -19.745 1.00 56.85 C ATOM 1855 O THR B 98 -42.352 6.796 -19.744 1.00 59.14 O ATOM 1856 CB THR B 98 -42.682 8.554 -22.145 1.00 60.45 C ATOM 1857 OG1 THR B 98 -41.700 9.559 -21.867 1.00 62.29 O ATOM 1858 CG2 THR B 98 -43.456 8.962 -23.389 1.00 61.12 C ATOM 1859 HG1 THR B 98 -41.095 9.651 -22.645 1.00 0.00 H ATOM 1860 H THR B 98 -43.833 10.474 -20.314 1.00 0.00 H ATOM 1861 N ASP B 99 -42.607 8.765 -18.736 1.00 54.83 N ATOM 1862 CA ASP B 99 -41.774 8.326 -17.628 1.00 55.47 C ATOM 1863 C ASP B 99 -42.528 7.423 -16.639 1.00 54.82 C ATOM 1864 O ASP B 99 -41.923 6.848 -15.731 1.00 53.71 O ATOM 1865 CB ASP B 99 -41.162 9.522 -16.907 1.00 53.20 C ATOM 1866 CG ASP B 99 -42.186 10.450 -16.319 1.00 55.28 C ATOM 1867 OD1 ASP B 99 -43.359 10.443 -16.751 1.00 54.76 O ATOM 1868 OD2 ASP B 99 -41.794 11.238 -15.424 1.00 56.83 O ATOM 1869 H ASP B 99 -43.033 9.714 -18.737 1.00 0.00 H ATOM 1870 N ASN B 100 -43.842 7.306 -16.826 1.00 53.87 N ATOM 1871 CA ASN B 100 -44.684 6.488 -15.961 1.00 54.26 C ATOM 1872 C ASN B 100 -44.556 6.744 -14.458 1.00 53.15 C ATOM 1873 O ASN B 100 -44.553 5.788 -13.678 1.00 53.01 O ATOM 1874 CB ASN B 100 -44.395 5.008 -16.229 1.00 56.38 C ATOM 1875 CG ASN B 100 -44.820 4.586 -17.609 1.00 57.89 C ATOM 1876 OD1 ASN B 100 -45.906 4.949 -18.072 1.00 57.39 O ATOM 1877 ND2 ASN B 100 -43.953 3.851 -18.295 1.00 57.33 N ATOM 1878 HD22 ASN B 100 -43.051 3.570 -17.860 1.00 0.00 H ATOM 1879 HD21 ASN B 100 -44.176 3.556 -19.267 1.00 0.00 H ATOM 1880 H ASN B 100 -44.283 7.817 -17.617 1.00 0.00 H ATOM 1881 N ASP B 101 -44.463 7.999 -14.019 1.00 51.06 N ATOM 1882 CA ASP B 101 -44.422 8.200 -12.575 1.00 49.05 C ATOM 1883 C ASP B 101 -45.855 8.240 -12.052 1.00 48.41 C ATOM 1884 O ASP B 101 -46.086 8.174 -10.850 1.00 47.58 O ATOM 1885 CB ASP B 101 -43.603 9.456 -12.156 1.00 48.97 C ATOM 1886 CG ASP B 101 -44.004 10.774 -12.887 1.00 50.62 C ATOM 1887 OD1 ASP B 101 -44.924 10.811 -13.717 1.00 49.33 O ATOM 1888 OD2 ASP B 101 -43.324 11.792 -12.612 1.00 49.90 O ATOM 1889 H ASP B 101 -44.421 8.802 -14.679 1.00 0.00 H ATOM 1890 N TYR B 102 -46.800 8.318 -12.984 1.00 48.33 N ATOM 1891 CA TYR B 102 -48.229 8.367 -12.697 1.00 48.60 C ATOM 1892 C TYR B 102 -48.652 9.352 -11.605 1.00 48.82 C ATOM 1893 O TYR B 102 -49.638 9.113 -10.909 1.00 46.77 O ATOM 1894 CB TYR B 102 -48.734 6.946 -12.361 1.00 49.32 C ATOM 1895 CG TYR B 102 -49.036 6.177 -13.628 1.00 49.46 C ATOM 1896 CD1 TYR B 102 -50.314 6.200 -14.201 1.00 49.63 C ATOM 1897 CD2 TYR B 102 -48.030 5.495 -14.296 1.00 49.39 C ATOM 1898 CE1 TYR B 102 -50.574 5.522 -15.386 1.00 49.16 C ATOM 1899 CE2 TYR B 102 -48.279 4.824 -15.466 1.00 48.56 C ATOM 1900 CZ TYR B 102 -49.530 4.827 -16.004 1.00 48.93 C ATOM 1901 OH TYR B 102 -49.729 4.161 -17.185 1.00 50.70 O ATOM 1902 HH TYR B 102 -50.678 4.247 -17.455 1.00 0.00 H ATOM 1903 H TYR B 102 -46.501 8.346 -13.980 1.00 0.00 H ATOM 1904 N ASN B 103 -47.933 10.475 -11.484 1.00 48.81 N ATOM 1905 CA ASN B 103 -48.321 11.510 -10.532 1.00 49.21 C ATOM 1906 C ASN B 103 -48.677 12.843 -11.197 1.00 52.07 C ATOM 1907 O ASN B 103 -48.685 13.889 -10.544 1.00 51.35 O ATOM 1908 CB ASN B 103 -47.212 11.740 -9.501 1.00 48.21 C ATOM 1909 CG ASN B 103 -45.964 12.441 -10.090 1.00 50.08 C ATOM 1910 OD1 ASN B 103 -45.915 12.811 -11.265 1.00 50.22 O ATOM 1911 ND2 ASN B 103 -44.948 12.605 -9.252 1.00 48.28 N ATOM 1912 HD22 ASN B 103 -45.028 12.279 -8.268 1.00 0.00 H ATOM 1913 HD21 ASN B 103 -44.072 13.059 -9.580 1.00 0.00 H ATOM 1914 H ASN B 103 -47.088 10.611 -12.075 1.00 0.00 H ATOM 1915 N ASP B 104 -48.948 12.804 -12.495 1.00 52.84 N ATOM 1916 CA ASP B 104 -48.959 14.024 -13.280 1.00 52.01 C ATOM 1917 C ASP B 104 -50.130 14.877 -12.831 1.00 54.34 C ATOM 1918 O ASP B 104 -49.994 16.102 -12.665 1.00 54.08 O ATOM 1919 CB ASP B 104 -48.998 13.690 -14.765 1.00 53.00 C ATOM 1920 CG ASP B 104 -47.718 12.988 -15.227 1.00 53.46 C ATOM 1921 OD1 ASP B 104 -46.630 13.277 -14.659 1.00 53.86 O ATOM 1922 OD2 ASP B 104 -47.795 12.150 -16.149 1.00 54.45 O ATOM 1923 H ASP B 104 -49.154 11.893 -12.953 1.00 0.00 H ATOM 1924 N ALA B 105 -51.258 14.203 -12.614 1.00 51.98 N ATOM 1925 CA ALA B 105 -52.344 14.704 -11.806 1.00 52.48 C ATOM 1926 C ALA B 105 -52.713 13.622 -10.799 1.00 53.57 C ATOM 1927 O ALA B 105 -53.060 12.502 -11.183 1.00 51.87 O ATOM 1928 CB ALA B 105 -53.557 15.068 -12.669 1.00 53.98 C ATOM 1929 H ALA B 105 -51.362 13.265 -13.050 1.00 0.00 H ATOM 1930 N VAL B 106 -52.621 13.955 -9.517 1.00 52.50 N ATOM 1931 CA VAL B 106 -53.087 13.086 -8.446 1.00 48.16 C ATOM 1932 C VAL B 106 -54.404 13.622 -7.879 1.00 50.22 C ATOM 1933 O VAL B 106 -54.475 14.769 -7.431 1.00 50.19 O ATOM 1934 CB VAL B 106 -52.056 12.994 -7.322 1.00 48.38 C ATOM 1935 CG1 VAL B 106 -52.632 12.285 -6.121 1.00 44.75 C ATOM 1936 CG2 VAL B 106 -50.758 12.328 -7.817 1.00 48.23 C ATOM 1937 H VAL B 106 -52.200 14.873 -9.268 1.00 0.00 H ATOM 1938 N VAL B 107 -55.438 12.788 -7.885 1.00 46.96 N ATOM 1939 CA VAL B 107 -56.742 13.162 -7.375 1.00 47.34 C ATOM 1940 C VAL B 107 -57.113 12.311 -6.169 1.00 49.05 C ATOM 1941 O VAL B 107 -57.017 11.069 -6.200 1.00 47.08 O ATOM 1942 CB VAL B 107 -57.827 12.996 -8.441 1.00 48.17 C ATOM 1943 CG1 VAL B 107 -59.174 13.511 -7.930 1.00 48.61 C ATOM 1944 CG2 VAL B 107 -57.403 13.666 -9.733 1.00 49.56 C ATOM 1945 H VAL B 107 -55.307 11.831 -8.270 1.00 0.00 H ATOM 1946 N VAL B 108 -57.562 12.978 -5.116 1.00 49.26 N ATOM 1947 CA VAL B 108 -57.987 12.292 -3.908 1.00 47.89 C ATOM 1948 C VAL B 108 -59.417 12.677 -3.541 1.00 48.84 C ATOM 1949 O VAL B 108 -59.755 13.857 -3.405 1.00 47.36 O ATOM 1950 CB VAL B 108 -57.059 12.617 -2.732 1.00 48.99 C ATOM 1951 CG1 VAL B 108 -57.579 11.967 -1.463 1.00 46.40 C ATOM 1952 CG2 VAL B 108 -55.622 12.178 -3.048 1.00 47.60 C ATOM 1953 H VAL B 108 -57.611 14.016 -5.155 1.00 0.00 H ATOM 1954 N ILE B 109 -60.251 11.664 -3.398 1.00 45.60 N ATOM 1955 CA ILE B 109 -61.615 11.823 -2.961 1.00 44.94 C ATOM 1956 C ILE B 109 -61.762 11.223 -1.571 1.00 46.82 C ATOM 1957 O ILE B 109 -61.336 10.061 -1.336 1.00 45.68 O ATOM 1958 CB ILE B 109 -62.558 11.136 -3.936 1.00 46.55 C ATOM 1959 CG1 ILE B 109 -62.583 11.912 -5.257 1.00 47.13 C ATOM 1960 CG2 ILE B 109 -63.945 10.946 -3.325 1.00 46.34 C ATOM 1961 CD1 ILE B 109 -63.331 11.185 -6.358 1.00 48.24 C ATOM 1962 H ILE B 109 -59.908 10.706 -3.611 1.00 0.00 H ATOM 1963 N ASN B 110 -62.330 11.985 -0.641 1.00 43.82 N ATOM 1964 CA ASN B 110 -62.579 11.454 0.692 1.00 44.32 C ATOM 1965 C ASN B 110 -63.989 11.703 1.216 1.00 46.50 C ATOM 1966 O ASN B 110 -64.641 12.717 0.906 1.00 45.71 O ATOM 1967 CB ASN B 110 -61.556 11.990 1.694 1.00 44.37 C ATOM 1968 CG ASN B 110 -61.660 13.498 1.922 1.00 48.56 C ATOM 1969 OD1 ASN B 110 -61.598 14.294 0.983 1.00 48.08 O ATOM 1970 ND2 ASN B 110 -61.796 13.891 3.185 1.00 47.07 N ATOM 1971 HD22 ASN B 110 -61.844 13.185 3.947 1.00 0.00 H ATOM 1972 HD21 ASN B 110 -61.854 14.905 3.411 1.00 0.00 H ATOM 1973 H ASN B 110 -62.598 12.964 -0.867 1.00 0.00 H ATOM 1974 N TRP B 111 -64.459 10.751 2.014 1.00 45.50 N ATOM 1975 CA TRP B 111 -65.773 10.843 2.646 1.00 45.69 C ATOM 1976 C TRP B 111 -65.775 9.873 3.833 1.00 46.89 C ATOM 1977 O TRP B 111 -64.922 8.990 3.901 1.00 43.72 O ATOM 1978 CB TRP B 111 -66.885 10.542 1.635 1.00 43.74 C ATOM 1979 CG TRP B 111 -67.152 9.079 1.349 1.00 45.82 C ATOM 1980 CD1 TRP B 111 -68.013 8.252 2.024 1.00 44.63 C ATOM 1981 CD2 TRP B 111 -66.580 8.276 0.294 1.00 45.40 C ATOM 1982 NE1 TRP B 111 -68.003 6.998 1.456 1.00 45.96 N ATOM 1983 CE2 TRP B 111 -67.146 6.991 0.389 1.00 44.80 C ATOM 1984 CE3 TRP B 111 -65.653 8.533 -0.721 1.00 45.48 C ATOM 1985 CZ2 TRP B 111 -66.800 5.955 -0.475 1.00 47.30 C ATOM 1986 CZ3 TRP B 111 -65.321 7.519 -1.586 1.00 46.48 C ATOM 1987 CH2 TRP B 111 -65.881 6.229 -1.452 1.00 46.91 C ATOM 1988 HE1 TRP B 111 -68.559 6.184 1.786 1.00 0.00 H ATOM 1989 H TRP B 111 -63.872 9.912 2.195 1.00 0.00 H ATOM 1990 N PRO B 112 -66.695 10.062 4.799 1.00 49.02 N ATOM 1991 CA PRO B 112 -67.685 11.142 4.896 1.00 46.07 C ATOM 1992 C PRO B 112 -67.021 12.458 5.239 1.00 47.46 C ATOM 1993 O PRO B 112 -65.844 12.431 5.633 1.00 46.47 O ATOM 1994 CB PRO B 112 -68.582 10.691 6.046 1.00 47.29 C ATOM 1995 CG PRO B 112 -67.635 9.973 6.949 1.00 48.03 C ATOM 1996 CD PRO B 112 -66.729 9.195 5.995 1.00 47.37 C ATOM 1997 N LEU B 113 -67.754 13.570 5.093 1.00 44.60 N ATOM 1998 CA LEU B 113 -67.283 14.885 5.518 1.00 45.94 C ATOM 1999 C LEU B 113 -67.980 15.332 6.803 1.00 48.21 C ATOM 2000 O LEU B 113 -68.800 14.608 7.359 1.00 49.60 O ATOM 2001 CB LEU B 113 -67.524 15.926 4.424 1.00 45.71 C ATOM 2002 CG LEU B 113 -66.848 15.666 3.081 1.00 46.74 C ATOM 2003 CD1 LEU B 113 -67.097 16.849 2.144 1.00 44.99 C ATOM 2004 CD2 LEU B 113 -65.349 15.421 3.276 1.00 44.77 C ATOM 2005 H LEU B 113 -68.696 13.493 4.660 1.00 0.00 H ATOM 2006 N GLY B 114 -67.671 16.536 7.271 1.00 48.55 N ATOM 2007 CA GLY B 114 -68.388 17.086 8.414 1.00 47.62 C ATOM 2008 C GLY B 114 -67.829 16.638 9.756 1.00 47.90 C ATOM 2009 O GLY B 114 -67.021 15.695 9.882 1.00 43.65 O ATOM 2010 OXT GLY B 114 -68.183 17.255 10.766 1.00 46.70 O ATOM 2011 H GLY B 114 -66.914 17.088 6.820 1.00 0.00 H TER 2012 GLY B 114 HETATM 2013 CA CA A 1 -65.148 12.780 15.004 1.00 47.55 CA HETATM 2014 CA CA A 2 -65.810 14.887 11.824 1.00 48.56 CA HETATM 2015 CA CA A 3 -45.417 11.387 -15.944 1.00 53.43 CA HETATM 2016 CA CA A 4 -44.701 13.802 -13.300 1.00 52.01 CA HETATM 2017 O HOH 5 -54.457 26.470 8.358 1.00 47.95 O HETATM 2018 O HOH 6 -42.738 22.547 7.122 1.00 51.58 O HETATM 2019 O HOH 7 -40.441 12.683 -4.769 1.00 44.30 O HETATM 2020 O HOH 8 -46.514 2.428 5.429 1.00 46.27 O HETATM 2021 O HOH 9 -58.545 14.864 14.975 1.00 48.25 O HETATM 2022 O HOH 10 -50.445 17.395 16.939 1.00 53.54 O HETATM 2023 O HOH 11 -61.553 21.398 12.337 1.00 46.54 O HETATM 2024 O HOH 12 -43.348 1.978 3.670 1.00 47.57 O HETATM 2025 O HOH 13 -50.293 15.461 -0.251 1.00 48.23 O HETATM 2026 O HOH 14 -46.196 1.563 -14.178 1.00 52.79 O HETATM 2027 O HOH 15 -55.400 22.232 18.245 1.00 56.64 O HETATM 2028 O HOH 16 -47.906 3.364 11.009 1.00 44.95 O HETATM 2029 O HOH 17 -52.329 -0.180 -9.538 1.00 42.64 O HETATM 2030 O HOH 18 -48.439 8.880 14.906 1.00 46.33 O HETATM 2031 O HOH 19 -52.770 3.009 18.400 1.00 52.20 O HETATM 2032 O HOH 20 -34.723 11.114 7.743 1.00 50.96 O HETATM 2033 O HOH 21 -39.828 6.721 -10.027 1.00 58.96 O HETATM 2034 O HOH 22 -41.462 11.982 -10.582 1.00 55.62 O HETATM 2035 O HOH 23 -46.370 -1.496 -12.414 1.00 46.27 O HETATM 2036 O HOH 24 -42.040 5.033 -6.549 1.00 51.39 O HETATM 2037 O HOH 25 -40.082 10.827 11.950 1.00 48.68 O HETATM 2038 O HOH 26 -35.944 4.112 3.650 1.00 53.21 O HETATM 2039 O HOH 27 -45.078 23.902 7.195 1.00 52.28 O HETATM 2040 O HOH 28 -31.300 13.401 6.317 1.00 54.78 O HETATM 2041 O HOH 29 -37.142 13.255 -4.470 1.00 49.24 O HETATM 2042 O HOH 30 -41.129 10.272 14.332 1.00 53.57 O HETATM 2043 O HOH 31 -48.627 -1.447 -6.739 1.00 44.93 O HETATM 2044 O HOH 32 -42.904 2.610 -4.701 1.00 47.77 O HETATM 2045 O HOH 33 -40.006 3.820 -8.299 1.00 59.22 O HETATM 2046 O HOH 34 -49.914 2.413 8.966 1.00 44.15 O HETATM 2047 O HOH 35 -53.323 6.821 17.738 1.00 52.90 O HETATM 2048 O HOH 36 -69.465 23.310 -0.153 1.00 42.89 O HETATM 2049 O HOH 37 -42.839 0.129 -5.331 1.00 49.29 O HETATM 2050 O HOH 38 -46.944 -1.422 16.625 1.00 48.89 O HETATM 2051 O HOH 39 -50.074 5.313 17.484 1.00 53.12 O HETATM 2052 O HOH 40 -37.340 18.337 5.285 1.00 52.42 O HETATM 2053 O HOH 41 -40.312 7.050 -5.460 1.00 46.83 O HETATM 2054 O HOH 42 -69.126 2.559 8.801 1.00 50.67 O HETATM 2055 O HOH 43 -58.247 -0.493 -9.381 1.00 43.94 O HETATM 2056 O HOH 44 -64.225 1.938 -5.578 1.00 44.60 O HETATM 2057 O HOH 45 -70.136 13.324 3.843 1.00 43.78 O HETATM 2058 O HOH 46 -62.698 2.346 -11.036 1.00 48.43 O HETATM 2059 O HOH 47 -70.566 7.932 9.242 1.00 58.23 O HETATM 2060 O HOH 48 -67.373 1.673 -3.707 1.00 46.20 O HETATM 2061 O HOH 49 -68.961 12.781 9.286 1.00 49.33 O HETATM 2062 O HOH 50 -56.112 2.902 -17.372 1.00 57.73 O HETATM 2063 O HOH 51 -61.932 -0.795 6.631 1.00 44.59 O HETATM 2064 O HOH 52 -60.070 15.611 -1.223 1.00 50.22 O HETATM 2065 O HOH 53 -80.842 6.953 -4.525 1.00 62.49 O HETATM 2066 O HOH 54 -51.999 13.360 -16.015 1.00 54.40 O HETATM 2067 O HOH 55 -67.671 3.123 4.539 1.00 46.99 O HETATM 2068 O HOH 56 -67.614 0.468 5.308 1.00 49.66 O HETATM 2069 O HOH 57 -49.525 22.019 -21.010 1.00 68.06 O HETATM 2070 O HOH 58 -56.914 5.457 -18.454 1.00 55.35 O HETATM 2071 O HOH 59 -71.154 -0.454 -7.815 1.00 55.38 O HETATM 2072 O HOH 60 -74.747 3.719 -3.739 1.00 49.49 O HETATM 2073 O HOH 61 -60.750 1.706 -9.119 1.00 45.87 O HETATM 2074 O HOH 62 -64.501 2.880 14.146 1.00 52.57 O HETATM 2075 O HOH 63 -46.385 5.741 -20.785 1.00 59.22 O HETATM 2076 O HOH 64 -73.536 14.003 3.223 1.00 44.77 O HETATM 2077 O HOH 65 -70.344 9.745 -13.073 1.00 55.08 O HETATM 2078 O HOH 66 -67.002 23.181 -2.002 1.00 51.36 O HETATM 2079 O HOH 67 -74.545 3.679 -9.411 1.00 60.78 O HETATM 2080 O HOH 68 -46.750 22.194 -2.444 1.00 53.89 O HETATM 2081 O HOH 69 -76.400 4.215 -0.471 1.00 51.28 O HETATM 2082 O HOH 70 -63.593 -2.897 -16.597 1.00 56.51 O HETATM 2083 O HOH 71 -43.928 24.458 -10.598 1.00 49.65 O HETATM 2084 O HOH 72 -68.960 5.457 6.120 1.00 53.87 O HETATM 2085 O HOH 73 -75.375 18.800 -0.599 1.00 54.73 O HETATM 2086 O HOH 74 -43.184 2.682 -13.318 1.00 60.69 O HETATM 2087 O HOH 75 -67.982 -0.627 12.470 1.00 54.19 O HETATM 2088 O HOH 76 -70.531 6.008 12.173 1.00 61.72 O HETATM 2089 O HOH 77 -43.510 24.162 -19.460 1.00 70.33 O HETATM 2090 O HOH 78 -55.907 24.134 -22.726 1.00 68.27 O HETATM 2091 O HOH 79 -70.508 -0.947 -5.204 1.00 53.32 O HETATM 2092 O HOH 80 -39.075 5.754 -12.932 1.00 67.20 O HETATM 2093 O HOH 81 -70.438 7.542 4.767 1.00 41.13 O HETATM 2094 O HOH 82 -39.423 13.359 -12.484 1.00 63.66 O HETATM 2095 O HOH 83 -68.148 0.119 -1.569 1.00 54.20 O HETATM 2096 N ALA A 84 -65.579 34.182 23.875 1.00 -0.27 N HETATM 2097 CA ALA A 84 -64.925 33.383 22.882 1.00 0.13 C HETATM 2098 C ALA A 84 -64.070 32.439 23.732 1.00 0.21 C HETATM 2099 O ALA A 84 -62.904 32.701 23.973 1.00 -0.39 O HETATM 2100 N ALA A 84 -64.717 31.252 24.273 1.00 -0.25 N HETATM 2101 CA ALA A 84 -64.107 30.244 25.120 1.00 0.13 C HETATM 2102 C ALA A 84 -62.892 29.617 24.470 1.00 0.20 C HETATM 2103 O ALA A 84 -63.019 28.959 23.465 1.00 -0.39 O HETATM 2104 N ALA A 84 -61.559 29.805 25.067 1.00 -0.26 N HETATM 2105 CA ALA A 84 -60.406 29.203 24.478 1.00 0.13 C HETATM 2106 C ALA A 84 -59.979 28.078 25.422 1.00 0.20 C HETATM 2107 O ALA A 84 -60.009 28.257 26.624 1.00 -0.39 O HETATM 2108 N ALA A 84 -59.535 26.777 24.906 1.00 -0.26 N HETATM 2109 CA ALA A 84 -59.171 25.814 25.897 1.00 0.13 C HETATM 2110 C ALA A 84 -57.983 24.983 25.458 1.00 0.20 C HETATM 2111 O ALA A 84 -57.582 24.980 24.303 1.00 -0.39 O HETATM 2112 N ALA A 84 -57.313 24.182 26.467 1.00 -0.26 N HETATM 2113 CA ALA A 84 -56.197 23.368 26.112 1.00 0.14 C HETATM 2114 C ALA A 84 -56.395 22.041 26.834 1.00 0.21 C HETATM 2115 O ALA A 84 -56.916 22.055 27.938 1.00 -0.39 O HETATM 2116 N ALA A 84 -55.992 20.789 26.194 1.00 -0.27 N HETATM 2117 CA ALA A 84 -56.143 19.501 26.822 1.00 0.10 C HETATM 2118 C ALA A 84 -57.587 19.213 27.227 1.00 0.06 C HETATM 2119 O ALA A 84 -57.901 18.069 27.507 1.00 -0.57 O HETATM 2120 OXT ALA A 84 -58.383 20.136 27.258 1.00 -0.57 O HETATM 2121 CB ALA A 84 -55.251 19.421 28.033 1.00 0.03 C HETATM 2122 SG ALA A 84 -53.609 19.914 27.570 1.00 -0.17 S HETATM 2123 H42 ALA A 84 -53.265 19.297 26.851 1.00 0.10 H HETATM 2124 H40 ALA A 84 -55.234 18.388 28.412 1.00 0.04 H HETATM 2125 H41 ALA A 84 -55.631 20.093 28.817 1.00 0.04 H HETATM 2126 H39 ALA A 84 -55.830 18.731 26.102 1.00 0.07 H HETATM 2127 H38 ALA A 84 -55.593 20.829 25.278 1.00 0.19 H HETATM 2128 CB ALA A 84 -54.909 24.047 26.514 1.00 0.02 C HETATM 2129 CG ALA A 84 -53.849 23.736 25.437 1.00 -0.04 C HETATM 2130 CD1 ALA A 84 -53.979 24.266 24.155 1.00 -0.06 C HETATM 2131 CE1 ALA A 84 -53.013 23.964 23.188 1.00 -0.07 C HETATM 2132 CZ ALA A 84 -51.926 23.134 23.500 1.00 -0.07 C HETATM 2133 CE2 ALA A 84 -51.802 22.612 24.781 1.00 -0.07 C HETATM 2134 CD2 ALA A 84 -52.760 22.916 25.737 1.00 -0.06 C HETATM 2135 H34 ALA A 84 -52.661 22.509 26.737 1.00 0.06 H HETATM 2136 H36 ALA A 84 -50.964 21.972 25.032 1.00 0.06 H HETATM 2137 H37 ALA A 84 -51.185 22.901 22.744 1.00 0.06 H HETATM 2138 H35 ALA A 84 -53.106 24.375 22.189 1.00 0.06 H HETATM 2139 H33 ALA A 84 -54.819 24.905 23.909 1.00 0.06 H HETATM 2140 H31 ALA A 84 -54.574 23.664 27.489 1.00 0.05 H HETATM 2141 H32 ALA A 84 -55.065 25.134 26.581 1.00 0.05 H HETATM 2142 H30 ALA A 84 -56.185 23.199 25.025 1.00 0.08 H HETATM 2143 H29 ALA A 84 -57.635 24.201 27.413 1.00 0.19 H HETATM 2144 CB ALA A 84 -60.370 24.917 26.217 1.00 -0.01 C HETATM 2145 CG ALA A 84 -60.699 23.967 25.035 1.00 -0.04 C HETATM 2146 CD ALA A 84 -60.608 22.483 25.536 1.00 -0.01 C HETATM 2147 CE ALA A 84 -61.701 22.220 26.615 1.00 0.01 C HETATM 2148 NZ ALA A 84 -62.557 21.124 26.155 1.00 0.45 N HETATM 2149 C ALA A 84 -63.961 21.365 25.883 1.00 0.30 C HETATM 2150 CA ALA A 84 -64.817 20.204 25.388 1.00 0.14 C HETATM 2151 N ALA A 84 -64.425 19.997 24.025 1.00 -0.27 N HETATM 2152 C ALA A 84 -65.142 20.718 22.967 1.00 0.20 C HETATM 2153 CA ALA A 84 -64.713 20.520 21.532 1.00 0.13 C HETATM 2154 N ALA A 84 -65.844 20.681 20.654 1.00 -0.25 N HETATM 2155 C ALA A 84 -66.933 19.744 20.571 1.00 0.21 C HETATM 2156 CA ALA A 84 -68.066 19.996 19.580 1.00 0.13 C HETATM 2157 N ALA A 84 -68.211 18.769 18.869 1.00 -0.27 N HETATM 2158 C7 ALA A 84 -67.066 18.264 18.091 1.00 0.18 C HETATM 2159 C6 ALA A 84 -67.140 16.946 17.307 1.00 0.07 C HETATM 2160 C5 ALA A 84 -66.302 17.198 16.052 1.00 0.10 C HETATM 2161 C4 ALA A 84 -66.005 15.877 15.333 1.00 0.11 C HETATM 2162 C3 ALA A 84 -67.249 15.323 14.649 1.00 0.11 C HETATM 2163 C2 ALA A 84 -68.032 16.395 13.885 1.00 0.11 C HETATM 2164 C1 ALA A 84 -68.270 17.597 14.770 1.00 0.08 C HETATM 2165 C1M ALA A 84 -68.978 18.699 14.005 1.00 -0.04 C HETATM 2166 H77 ALA A 84 -69.139 19.561 14.669 1.00 0.03 H HETATM 2167 H78 ALA A 84 -69.948 18.329 13.642 1.00 0.03 H HETATM 2168 H79 ALA A 84 -68.360 19.007 13.149 1.00 0.03 H HETATM 2169 O5 ALA A 84 -67.020 18.065 15.227 1.00 -0.37 O HETATM 2170 H76 ALA A 84 -68.889 17.300 15.629 1.00 0.06 H HETATM 2171 O2 ALA A 84 -67.314 16.801 12.732 1.00 -0.39 O HETATM 2172 H86 ALA A 84 -67.179 16.051 12.164 1.00 0.21 H HETATM 2173 H80 ALA A 84 -69.001 15.976 13.577 1.00 0.06 H HETATM 2174 O3 ALA A 84 -66.806 14.281 13.811 1.00 -0.39 O HETATM 2175 H87 ALA A 84 -67.550 13.901 13.359 1.00 0.21 H HETATM 2176 H81 ALA A 84 -67.918 14.904 15.415 1.00 0.06 H HETATM 2177 O4 ALA A 84 -65.569 14.919 16.240 1.00 -0.39 O HETATM 2178 H88 ALA A 84 -64.777 15.225 16.666 1.00 0.21 H HETATM 2179 H82 ALA A 84 -65.223 16.053 14.580 1.00 0.06 H HETATM 2180 H83 ALA A 84 -65.350 17.670 16.336 1.00 0.06 H HETATM 2181 H84 ALA A 84 -66.718 16.119 17.897 1.00 0.05 H HETATM 2182 H85 ALA A 84 -68.181 16.711 17.039 1.00 0.05 H HETATM 2183 O7A ALA A 84 -66.012 18.890 18.025 1.00 -0.40 O HETATM 2184 H43 ALA A 84 -69.072 18.261 18.898 1.00 0.19 H HETATM 2185 CB ALA A 84 -69.328 20.415 20.305 1.00 -0.02 C HETATM 2186 H45 ALA A 84 -69.150 21.364 20.831 1.00 0.03 H HETATM 2187 H46 ALA A 84 -69.608 19.639 21.033 1.00 0.03 H HETATM 2188 H47 ALA A 84 -70.143 20.546 19.578 1.00 0.03 H HETATM 2189 H44 ALA A 84 -67.784 20.797 18.880 1.00 0.08 H HETATM 2190 O ALA A 84 -66.910 18.735 21.248 1.00 -0.39 O HETATM 2191 CD ALA A 84 -65.731 21.903 19.916 1.00 0.04 C HETATM 2192 CG ALA A 84 -64.555 22.630 20.421 1.00 -0.03 C HETATM 2193 CB ALA A 84 -63.720 21.533 21.030 1.00 -0.01 C HETATM 2194 H49 ALA A 84 -63.059 21.085 20.273 1.00 0.03 H HETATM 2195 H50 ALA A 84 -63.114 21.924 21.860 1.00 0.03 H HETATM 2196 H51 ALA A 84 -64.016 23.130 19.602 1.00 0.03 H HETATM 2197 H52 ALA A 84 -64.844 23.374 21.178 1.00 0.03 H HETATM 2198 H53 ALA A 84 -66.636 22.511 20.059 1.00 0.05 H HETATM 2199 H54 ALA A 84 -65.603 21.683 18.846 1.00 0.05 H HETATM 2200 H48 ALA A 84 -64.289 19.510 21.433 1.00 0.08 H HETATM 2201 O ALA A 84 -66.070 21.466 23.238 1.00 -0.39 O HETATM 2202 H55 ALA A 84 -63.677 19.373 23.799 1.00 0.19 H HETATM 2203 CB ALA A 84 -64.554 18.959 26.203 1.00 -0.03 C HETATM 2204 H58 ALA A 84 -64.859 19.132 27.246 1.00 0.03 H HETATM 2205 H59 ALA A 84 -63.481 18.719 26.170 1.00 0.03 H HETATM 2206 H60 ALA A 84 -65.130 18.120 25.787 1.00 0.03 H HETATM 2207 H56 ALA A 84 -65.885 20.462 25.447 1.00 0.07 H HETATM 2208 O ALA A 84 -64.432 22.492 26.028 1.00 -0.32 O HETATM 2209 H57 ALA A 84 -64.343 22.757 26.936 1.00 0.22 H HETATM 2210 OXT ALA A 84 -62.771 21.213 26.154 1.00 -0.23 O HETATM 2211 H28 ALA A 84 -62.155 20.205 26.257 1.00 0.25 H HETATM 2212 H26 ALA A 84 -62.306 23.127 26.759 1.00 0.08 H HETATM 2213 H27 ALA A 84 -61.224 21.943 27.567 1.00 0.08 H HETATM 2214 H24 ALA A 84 -59.614 22.306 25.973 1.00 0.03 H HETATM 2215 H25 ALA A 84 -60.762 21.801 24.687 1.00 0.03 H HETATM 2216 H22 ALA A 84 -59.977 24.127 24.221 1.00 0.03 H HETATM 2217 H23 ALA A 84 -61.716 24.172 24.669 1.00 0.03 H HETATM 2218 H20 ALA A 84 -61.246 25.550 26.422 1.00 0.03 H HETATM 2219 H21 ALA A 84 -60.138 24.314 27.107 1.00 0.03 H HETATM 2220 H19 ALA A 84 -58.889 26.354 26.813 1.00 0.08 H HETATM 2221 H18 ALA A 84 -59.490 26.578 23.927 1.00 0.19 H HETATM 2222 CB ALA A 84 -59.262 30.181 24.378 1.00 -0.02 C HETATM 2223 H15 ALA A 84 -58.394 29.684 23.921 1.00 0.03 H HETATM 2224 H16 ALA A 84 -58.994 30.536 25.384 1.00 0.03 H HETATM 2225 H17 ALA A 84 -59.564 31.036 23.756 1.00 0.03 H HETATM 2226 H14 ALA A 84 -60.650 28.809 23.481 1.00 0.08 H HETATM 2227 H13 ALA A 84 -61.460 30.360 25.893 1.00 0.19 H HETATM 2228 CB ALA A 84 -65.201 29.249 25.424 1.00 -0.01 C HETATM 2229 CG ALA A 84 -66.489 29.920 25.047 1.00 -0.03 C HETATM 2230 CD ALA A 84 -66.086 30.909 24.039 1.00 0.04 C HETATM 2231 H11 ALA A 84 -66.196 30.480 23.032 1.00 0.05 H HETATM 2232 H12 ALA A 84 -66.715 31.807 24.126 1.00 0.05 H HETATM 2233 H9 ALA A 84 -66.944 30.412 25.919 1.00 0.03 H HETATM 2234 H10 ALA A 84 -67.199 29.195 24.623 1.00 0.03 H HETATM 2235 H7 ALA A 84 -65.201 28.997 26.495 1.00 0.03 H HETATM 2236 H8 ALA A 84 -65.060 28.333 24.831 1.00 0.03 H HETATM 2237 H6 ALA A 84 -63.779 30.712 26.060 1.00 0.08 H HETATM 2238 CB ALA A 84 -64.105 34.137 21.839 1.00 -0.02 C HETATM 2239 H3 ALA A 84 -63.656 33.419 21.137 1.00 0.03 H HETATM 2240 H4 ALA A 84 -63.309 34.707 22.340 1.00 0.03 H HETATM 2241 H5 ALA A 84 -64.759 34.828 21.288 1.00 0.03 H HETATM 2242 H2 ALA A 84 -65.684 32.804 22.335 1.00 0.08 H HETATM 2243 C1' ALA A 84 -65.130 35.431 24.477 1.00 0.20 C HETATM 2244 O1' ALA A 84 -64.118 36.002 24.173 1.00 -0.39 O HETATM 2245 C1 ALA A 84 -66.037 36.038 25.579 1.00 0.04 C HETATM 2246 C2 ALA A 84 -66.639 37.262 25.452 1.00 -0.05 C HETATM 2247 C3 ALA A 84 -67.468 37.759 26.466 1.00 -0.03 C HETATM 2248 C4 ALA A 84 -67.686 36.993 27.636 1.00 0.10 C HETATM 2249 C5 ALA A 84 -67.045 35.753 27.765 1.00 -0.03 C HETATM 2250 C6 ALA A 84 -66.232 35.269 26.720 1.00 -0.05 C HETATM 2251 H64 ALA A 84 -65.759 34.297 26.806 1.00 0.06 H HETATM 2252 H63 ALA A 84 -67.174 35.167 28.668 1.00 0.06 H HETATM 2253 O4 ALA A 84 -68.540 37.487 28.711 1.00 -0.28 O HETATM 2254 C1 ALA A 84 -69.922 37.182 28.574 1.00 0.21 C HETATM 2255 C2 ALA A 84 -70.234 35.721 28.170 1.00 0.14 C HETATM 2256 C3 ALA A 84 -71.634 35.259 28.547 1.00 0.11 C HETATM 2257 C4 ALA A 84 -72.007 35.665 29.956 1.00 0.11 C HETATM 2258 C5 ALA A 84 -71.799 37.146 30.088 1.00 0.11 C HETATM 2259 C6 ALA A 84 -72.104 37.634 31.507 1.00 0.07 C HETATM 2260 O6 ALA A 84 -71.097 38.566 31.880 1.00 -0.39 O HETATM 2261 H75 ALA A 84 -70.248 38.140 31.855 1.00 0.21 H HETATM 2262 H70 ALA A 84 -72.100 36.782 32.203 1.00 0.06 H HETATM 2263 H71 ALA A 84 -73.090 38.121 31.530 1.00 0.06 H HETATM 2264 O5 ALA A 84 -70.461 37.467 29.836 1.00 -0.34 O HETATM 2265 H69 ALA A 84 -72.452 37.664 29.370 1.00 0.06 H HETATM 2266 O4 ALA A 84 -71.234 34.940 30.896 1.00 -0.39 O HETATM 2267 H74 ALA A 84 -71.391 34.010 30.783 1.00 0.21 H HETATM 2268 H68 ALA A 84 -73.069 35.438 30.129 1.00 0.06 H HETATM 2269 O3 ALA A 84 -71.690 33.858 28.444 1.00 -0.39 O HETATM 2270 H73 ALA A 84 -71.080 33.472 29.061 1.00 0.21 H HETATM 2271 H67 ALA A 84 -72.356 35.706 27.847 1.00 0.06 H HETATM 2272 O2 ALA A 84 -70.097 35.576 26.779 1.00 -0.38 O HETATM 2273 H72 ALA A 84 -70.219 34.664 26.543 1.00 0.21 H HETATM 2274 H66 ALA A 84 -69.507 35.068 28.675 1.00 0.07 H HETATM 2275 H65 ALA A 84 -70.364 37.845 27.816 1.00 0.10 H HETATM 2276 H62 ALA A 84 -67.941 38.728 26.355 1.00 0.06 H HETATM 2277 H61 ALA A 84 -66.472 37.852 24.558 1.00 0.06 H HETATM 2278 H1 ALA A 84 -66.460 33.837 24.198 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 184 183 2014 CONECT 829 828 2013 CONECT 830 828 2013 CONECT 861 860 2013 CONECT 881 880 2013 CONECT 882 880 2014 CONECT 904 903 2014 CONECT 915 914 2014 CONECT 1003 1002 2016 CONECT 1007 1008 1012 1013 1014 CONECT 1012 1007 CONECT 1013 1007 CONECT 1014 1007 CONECT 1190 1189 2016 CONECT 1835 1834 2015 CONECT 1836 1834 2015 CONECT 1867 1866 2015 CONECT 1887 1886 2015 CONECT 1888 1886 2016 CONECT 1910 1909 2016 CONECT 2013 829 830 861 881 CONECT 2014 184 882 904 915 CONECT 2015 1835 1836 1867 1887 CONECT 2016 1003 1190 1888 1910 CONECT 2096 2097 2243 2278 CONECT 2097 2096 2098 2238 2242 CONECT 2098 2097 2099 2100 CONECT 2099 2098 CONECT 2100 2098 2101 2230 CONECT 2101 2100 2102 2228 2237 CONECT 2102 2101 2103 2104 CONECT 2103 2102 CONECT 2104 2102 2105 2227 CONECT 2105 2104 2106 2222 2226 CONECT 2106 2105 2107 2108 CONECT 2107 2106 CONECT 2108 2106 2109 2221 CONECT 2109 2108 2110 2144 2220 CONECT 2110 2109 2111 2112 CONECT 2111 2110 CONECT 2112 2110 2113 2143 CONECT 2113 2112 2114 2128 2142 CONECT 2114 2113 2115 2116 CONECT 2115 2114 CONECT 2116 2114 2117 2127 CONECT 2117 2116 2118 2121 2126 CONECT 2118 2117 2119 2120 CONECT 2119 2118 CONECT 2120 2118 CONECT 2121 2117 2122 2124 2125 CONECT 2122 2121 2123 CONECT 2123 2122 CONECT 2124 2121 CONECT 2125 2121 CONECT 2126 2117 CONECT 2127 2116 CONECT 2128 2113 2129 2140 2141 CONECT 2129 2128 2130 2134 CONECT 2130 2129 2131 2139 CONECT 2131 2130 2132 2138 CONECT 2132 2131 2133 2137 CONECT 2133 2132 2134 2136 CONECT 2134 2129 2133 2135 CONECT 2135 2134 CONECT 2136 2133 CONECT 2137 2132 CONECT 2138 2131 CONECT 2139 2130 CONECT 2140 2128 CONECT 2141 2128 CONECT 2142 2113 CONECT 2143 2112 CONECT 2144 2109 2145 2218 2219 CONECT 2145 2144 2146 2216 2217 CONECT 2146 2145 2147 2214 2215 CONECT 2147 2146 2148 2212 2213 CONECT 2148 2147 2149 2210 2211 CONECT 2149 2148 2150 2208 2210 CONECT 2150 2149 2151 2203 2207 CONECT 2151 2150 2152 2202 CONECT 2152 2151 2153 2201 CONECT 2153 2152 2154 2193 2200 CONECT 2154 2153 2155 2191 CONECT 2155 2154 2156 2190 CONECT 2156 2155 2157 2185 2189 CONECT 2157 2156 2158 2184 CONECT 2158 2157 2159 2183 CONECT 2159 2158 2160 2181 2182 CONECT 2160 2159 2161 2169 2180 CONECT 2161 2160 2162 2177 2179 CONECT 2162 2161 2163 2174 2176 CONECT 2163 2162 2164 2171 2173 CONECT 2164 2163 2165 2169 2170 CONECT 2165 2164 2166 2167 2168 CONECT 2166 2165 CONECT 2167 2165 CONECT 2168 2165 CONECT 2169 2160 2164 CONECT 2170 2164 CONECT 2171 2163 2172 CONECT 2172 2171 CONECT 2173 2163 CONECT 2174 2162 2175 CONECT 2175 2174 CONECT 2176 2162 CONECT 2177 2161 2178 CONECT 2178 2177 CONECT 2179 2161 CONECT 2180 2160 CONECT 2181 2159 CONECT 2182 2159 CONECT 2183 2158 CONECT 2184 2157 CONECT 2185 2156 2186 2187 2188 CONECT 2186 2185 CONECT 2187 2185 CONECT 2188 2185 CONECT 2189 2156 CONECT 2190 2155 CONECT 2191 2154 2192 2198 2199 CONECT 2192 2191 2193 2196 2197 CONECT 2193 2153 2192 2194 2195 CONECT 2194 2193 CONECT 2195 2193 CONECT 2196 2192 CONECT 2197 2192 CONECT 2198 2191 CONECT 2199 2191 CONECT 2200 2153 CONECT 2201 2152 CONECT 2202 2151 CONECT 2203 2150 2204 2205 2206 CONECT 2204 2203 CONECT 2205 2203 CONECT 2206 2203 CONECT 2207 2150 CONECT 2208 2149 2209 CONECT 2209 2208 CONECT 2210 2148 2149 CONECT 2211 2148 CONECT 2212 2147 CONECT 2213 2147 CONECT 2214 2146 CONECT 2215 2146 CONECT 2216 2145 CONECT 2217 2145 CONECT 2218 2144 CONECT 2219 2144 CONECT 2220 2109 CONECT 2221 2108 CONECT 2222 2105 2223 2224 2225 CONECT 2223 2222 CONECT 2224 2222 CONECT 2225 2222 CONECT 2226 2105 CONECT 2227 2104 CONECT 2228 2101 2229 2235 2236 CONECT 2229 2228 2230 2233 2234 CONECT 2230 2100 2229 2231 2232 CONECT 2231 2230 CONECT 2232 2230 CONECT 2233 2229 CONECT 2234 2229 CONECT 2235 2228 CONECT 2236 2228 CONECT 2237 2101 CONECT 2238 2097 2239 2240 2241 CONECT 2239 2238 CONECT 2240 2238 CONECT 2241 2238 CONECT 2242 2097 CONECT 2243 2096 2244 2245 CONECT 2244 2243 CONECT 2245 2243 2246 2250 CONECT 2246 2245 2247 2277 CONECT 2247 2246 2248 2276 CONECT 2248 2247 2249 2253 CONECT 2249 2248 2250 2252 CONECT 2250 2245 2249 2251 CONECT 2251 2250 CONECT 2252 2249 CONECT 2253 2248 2254 CONECT 2254 2253 2255 2264 2275 CONECT 2255 2254 2256 2272 2274 CONECT 2256 2255 2257 2269 2271 CONECT 2257 2256 2258 2266 2268 CONECT 2258 2257 2259 2264 2265 CONECT 2259 2258 2260 2262 2263 CONECT 2260 2259 2261 CONECT 2261 2260 CONECT 2262 2259 CONECT 2263 2259 CONECT 2264 2254 2258 CONECT 2265 2258 CONECT 2266 2257 2267 CONECT 2267 2266 CONECT 2268 2257 CONECT 2269 2256 2270 CONECT 2270 2269 CONECT 2271 2256 CONECT 2272 2255 2273 CONECT 2273 2272 CONECT 2274 2255 CONECT 2275 2254 CONECT 2276 2247 CONECT 2277 2246 CONECT 2278 2096 MASTER 0 0 0 0 0 0 0 0 2276 2 211 18 END
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Protein Sequence Similarity
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PDBbind
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115aa, >2JDY_1|Chains... at 99%
3dcq
RCSB PDB
PDBbind
114aa, >3DCQ_1|Chains... at 100%
3zdv
RCSB PDB
PDBbind
115aa, >3ZDV_1|Chains... at 100%
5a3o
RCSB PDB
PDBbind
114aa, >5A3O_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
5d2a
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fucose-binding lectin
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
2.13(Å)
Affinity (Kd/Ki/IC50)
Kd=2570nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Chem Sci Vol. 7: pp. 166-182
Ligand Properties
Formula
C
6
1
H
8
9
N
1
0
O
2
3
S
Molecular Weight
1362.480
Exact Mass
1361.580
No. of atoms
184
No. of bonds
190
Polar Surface Area
526.92
LOGP Value
-4.10 (
Computed with XLOGP3
)
-2.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 47
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 7
Canonical SMILES
OC[C@H]1O[C@@H](Oc2ccc(cc2)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)Cc2ccccc2)CCCC[N@@H+]2O[C@]2(O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C[C@@H]2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)C)C)C)C)[C@@H]([C@H]([C@H]1O)O)O
InChI String
InChI=1S/C61H88N10O23S/c1-29(63-55(84)40-16-11-22-69(40)58(87)31(3)64-52(81)35-18-20-36(21-19-35)92-60-50(79)49(78)47(76)43(27-72)93-60)51(80)66-37(53(82)67-38(25-34-13-7-6-8-14-34)54(83)68-39(28-95)59(88)89)15-9-10-24-71-61(90,94-71)33(5)65-56(85)41-17-12-23-70(41)57(86)30(2)62-44(73)26-42-46(75)48(77)45(74)32(4)91-42/h6-8,13-14,18-21,29-33,37-43,45-50,60,72,74-79,90,95H,9-12,15-17,22-28H2,1-5H3,(H,62,73)(H,63,84)(H,64,81)(H,65,85)(H,66,80)(H,67,82)(H,68,83)(H,88,89)/p+1/t29-,30-,31-,32-,33-,37-,38-,39-,40-,41-,42-,43+,45+,46+,47-,48+,49-,50+,60+,61?,71+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9HYN5
Entrez Gene ID
NCBI Entrez Gene ID:
882528
ASD
Information of known allosteric effects of PDB entries
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