Browse entries in the PDBbind-CN Database
HEADER 5BW4_COMPLEX COMPND 5BW4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 189 THR ALA LEU LYS VAL LEU ALA GLY LYS LYS LEU THR ASP SEQRES 2 A 189 LEU ASP PRO ASP GLU TRP ALA LYS ALA GLN ALA SER ALA SEQRES 3 A 189 GLU ARG ILE LEU VAL ASP VAL GLY THR GLY ASP ALA ARG SEQRES 4 A 189 THR ALA TYR ARG GLN ALA ILE ALA HIS PRO GLU TRP LEU SEQRES 5 A 189 VAL VAL GLY VAL ASP PRO ALA TRP GLN ARG MET THR GLU SEQRES 6 A 189 THR ALA VAL ARG ALA ALA ARG LYS PRO ALA LYS GLY GLY SEQRES 7 A 189 ALA PRO ASN LEU VAL LEU VAL SER SER ALA ILE GLU THR SEQRES 8 A 189 VAL PRO ALA ALA LEU HIS GLY VAL ALA ASP GLU VAL MET SEQRES 9 A 189 VAL LEU MET PRO TRP GLY LYS LEU LEU ARG GLY VAL VAL SEQRES 10 A 189 LEU GLY GLU ALA ASP VAL LEU SER GLY LEU ARG ALA VAL SEQRES 11 A 189 ALA LYS PRO GLY ALA PRO LEU GLU ILE SER ILE GLY THR SEQRES 12 A 189 SER ILE TRP ARG GLU PRO ILE PRO LEU GLU ILE ARG ASP SEQRES 13 A 189 LEU PRO GLU LEU THR PRO GLU THR VAL VAL SER THR GLY SEQRES 14 A 189 LEU THR ASP ARG LEU ALA ALA LEU GLY TRP GLN VAL ALA SEQRES 15 A 189 ASP VAL ARG LEU VAL PRO HIS SEQRES 1 A 16 THR GLU THR VAL LEU HIS LEU ARG ALA VAL ALA VAL ASP SEQRES 2 A 16 PRO ARG ASP HET SAM A 241 50 ATOM 1 N THR A 5 -1.154 -1.258 -9.389 1.00 83.93 N ATOM 2 CA THR A 5 -0.550 -2.471 -10.019 1.00 84.37 C ATOM 3 C THR A 5 -1.619 -3.570 -10.154 1.00 79.24 C ATOM 4 O THR A 5 -2.419 -3.785 -9.253 1.00 69.01 O ATOM 5 CB THR A 5 0.649 -3.031 -9.211 1.00 86.51 C ATOM 6 OG1 THR A 5 1.649 -2.018 -9.025 1.00 91.00 O ATOM 7 CG2 THR A 5 1.266 -4.214 -9.930 1.00 86.59 C ATOM 8 HG1 THR A 5 2.405 -2.393 -8.508 1.00 0.00 H ATOM 9 HN3 THR A 5 -1.519 -1.504 -8.446 1.00 0.00 H ATOM 10 HN2 THR A 5 -1.933 -0.911 -9.984 1.00 0.00 H ATOM 11 HN1 THR A 5 -0.429 -0.518 -9.299 1.00 0.00 H ATOM 12 N ALA A 6 -1.642 -4.226 -11.316 1.00 80.91 N ATOM 13 CA ALA A 6 -2.529 -5.365 -11.588 1.00 72.74 C ATOM 14 C ALA A 6 -2.067 -6.615 -10.811 1.00 69.61 C ATOM 15 O ALA A 6 -0.875 -6.759 -10.486 1.00 66.33 O ATOM 16 CB ALA A 6 -2.546 -5.657 -13.078 1.00 73.82 C ATOM 17 H ALA A 6 -0.997 -3.914 -12.070 1.00 0.00 H ATOM 18 N LEU A 7 -3.015 -7.493 -10.481 1.00 63.45 N ATOM 19 CA LEU A 7 -2.679 -8.768 -9.867 1.00 59.05 C ATOM 20 C LEU A 7 -2.172 -9.774 -10.903 1.00 56.71 C ATOM 21 O LEU A 7 -2.675 -9.823 -12.048 1.00 54.48 O ATOM 22 CB LEU A 7 -3.901 -9.382 -9.193 1.00 62.62 C ATOM 23 CG LEU A 7 -4.487 -8.732 -7.955 1.00 59.89 C ATOM 24 CD1 LEU A 7 -5.745 -9.519 -7.643 1.00 55.33 C ATOM 25 CD2 LEU A 7 -3.483 -8.711 -6.797 1.00 55.04 C ATOM 26 H LEU A 7 -4.012 -7.262 -10.666 1.00 0.00 H ATOM 27 N LYS A 8 -1.221 -10.600 -10.472 1.00 54.21 N ATOM 28 CA LYS A 8 -0.788 -11.757 -11.241 1.00 53.58 C ATOM 29 C LYS A 8 -1.701 -12.946 -10.947 1.00 46.58 C ATOM 30 O LYS A 8 -1.576 -13.571 -9.888 1.00 42.95 O ATOM 31 CB LYS A 8 0.647 -12.134 -10.871 1.00 58.19 C ATOM 32 CG LYS A 8 1.694 -11.202 -11.420 1.00 64.63 C ATOM 33 CD LYS A 8 1.715 -11.333 -12.938 1.00 69.23 C ATOM 34 CE LYS A 8 2.888 -10.605 -13.548 1.00 70.85 C ATOM 35 NZ LYS A 8 3.002 -10.926 -15.000 1.00 70.62 N ATOM 36 HZ1 LYS A 8 3.140 -11.950 -15.118 1.00 0.00 H ATOM 37 HZ2 LYS A 8 2.131 -10.634 -15.488 1.00 0.00 H ATOM 38 HZ3 LYS A 8 3.814 -10.417 -15.404 1.00 0.00 H ATOM 39 H LYS A 8 -0.772 -10.412 -9.553 1.00 0.00 H ATOM 40 N VAL A 9 -2.601 -13.248 -11.882 1.00 44.85 N ATOM 41 CA VAL A 9 -3.525 -14.403 -11.765 1.00 43.67 C ATOM 42 C VAL A 9 -3.331 -15.485 -12.815 1.00 45.54 C ATOM 43 O VAL A 9 -2.884 -15.228 -13.958 1.00 49.46 O ATOM 44 CB VAL A 9 -5.007 -13.985 -11.683 1.00 42.53 C ATOM 45 CG1 VAL A 9 -5.124 -12.756 -10.817 1.00 43.23 C ATOM 46 CG2 VAL A 9 -5.609 -13.679 -13.018 1.00 48.37 C ATOM 47 H VAL A 9 -2.658 -12.649 -12.730 1.00 0.00 H ATOM 48 N LEU A 10 -3.652 -16.714 -12.426 1.00 42.00 N ATOM 49 CA LEU A 10 -3.696 -17.788 -13.373 1.00 44.93 C ATOM 50 C LEU A 10 -4.877 -17.644 -14.302 1.00 45.64 C ATOM 51 O LEU A 10 -6.020 -17.577 -13.861 1.00 42.12 O ATOM 52 CB LEU A 10 -3.825 -19.120 -12.694 1.00 44.70 C ATOM 53 CG LEU A 10 -2.541 -19.749 -12.242 1.00 47.91 C ATOM 54 CD1 LEU A 10 -1.963 -18.964 -11.113 1.00 51.05 C ATOM 55 CD2 LEU A 10 -2.830 -21.152 -11.767 1.00 49.50 C ATOM 56 H LEU A 10 -3.873 -16.898 -11.427 1.00 0.00 H ATOM 57 N ALA A 11 -4.612 -17.681 -15.588 1.00 49.96 N ATOM 58 CA ALA A 11 -5.674 -18.085 -16.538 1.00 56.53 C ATOM 59 C ALA A 11 -5.258 -19.408 -17.156 1.00 57.71 C ATOM 60 O ALA A 11 -4.361 -19.455 -18.011 1.00 61.23 O ATOM 61 CB ALA A 11 -5.896 -17.033 -17.595 1.00 59.23 C ATOM 62 H ALA A 11 -3.665 -17.429 -15.936 1.00 0.00 H ATOM 63 N GLY A 12 -5.904 -20.481 -16.710 1.00 57.89 N ATOM 64 CA GLY A 12 -5.484 -21.821 -17.059 1.00 59.71 C ATOM 65 C GLY A 12 -4.029 -21.998 -16.677 1.00 61.11 C ATOM 66 O GLY A 12 -3.671 -21.796 -15.518 1.00 56.11 O ATOM 67 H GLY A 12 -6.733 -20.354 -16.094 1.00 0.00 H ATOM 68 N LYS A 13 -3.186 -22.358 -17.651 1.00 64.85 N ATOM 69 CA LYS A 13 -1.777 -22.698 -17.366 1.00 68.01 C ATOM 70 C LYS A 13 -0.819 -21.479 -17.269 1.00 66.21 C ATOM 71 O LYS A 13 0.346 -21.630 -16.844 1.00 63.44 O ATOM 72 CB LYS A 13 -1.235 -23.696 -18.397 1.00 75.57 C ATOM 73 CG LYS A 13 -1.612 -25.147 -18.163 1.00 80.65 C ATOM 74 CD LYS A 13 -1.199 -25.983 -19.365 1.00 91.42 C ATOM 75 CE LYS A 13 -1.549 -27.468 -19.242 1.00 99.15 C ATOM 76 NZ LYS A 13 -2.939 -27.793 -19.697 1.00 98.07 N ATOM 77 HZ1 LYS A 13 -3.624 -27.262 -19.122 1.00 0.00 H ATOM 78 HZ2 LYS A 13 -3.046 -27.529 -20.697 1.00 0.00 H ATOM 79 HZ3 LYS A 13 -3.109 -28.813 -19.587 1.00 0.00 H ATOM 80 H LYS A 13 -3.530 -22.400 -18.631 1.00 0.00 H ATOM 81 N LYS A 14 -1.302 -20.290 -17.644 1.00 61.72 N ATOM 82 CA LYS A 14 -0.439 -19.120 -17.751 1.00 62.75 C ATOM 83 C LYS A 14 -0.743 -18.066 -16.712 1.00 55.36 C ATOM 84 O LYS A 14 -1.897 -17.780 -16.454 1.00 54.07 O ATOM 85 CB LYS A 14 -0.608 -18.479 -19.125 1.00 66.62 C ATOM 86 CG LYS A 14 0.119 -19.240 -20.213 1.00 77.18 C ATOM 87 CD LYS A 14 -0.820 -20.170 -20.981 1.00 81.96 C ATOM 88 CE LYS A 14 -0.158 -20.685 -22.259 1.00 88.45 C ATOM 89 NZ LYS A 14 -0.781 -21.962 -22.696 1.00 90.58 N ATOM 90 HZ1 LYS A 14 -0.668 -22.675 -21.948 1.00 0.00 H ATOM 91 HZ2 LYS A 14 -1.793 -21.808 -22.880 1.00 0.00 H ATOM 92 HZ3 LYS A 14 -0.316 -22.293 -23.565 1.00 0.00 H ATOM 93 H LYS A 14 -2.314 -20.198 -17.864 1.00 0.00 H ATOM 94 N LEU A 15 0.297 -17.481 -16.142 1.00 54.85 N ATOM 95 CA LEU A 15 0.186 -16.266 -15.352 1.00 55.09 C ATOM 96 C LEU A 15 -0.229 -15.094 -16.240 1.00 56.17 C ATOM 97 O LEU A 15 0.196 -15.031 -17.307 1.00 59.24 O ATOM 98 CB LEU A 15 1.483 -15.965 -14.598 1.00 55.55 C ATOM 99 CG LEU A 15 1.612 -16.686 -13.256 1.00 56.37 C ATOM 100 CD1 LEU A 15 2.720 -16.126 -12.393 1.00 57.79 C ATOM 101 CD2 LEU A 15 0.294 -16.637 -12.480 1.00 54.90 C ATOM 102 H LEU A 15 1.237 -17.910 -16.264 1.00 0.00 H ATOM 103 N THR A 16 -1.144 -14.236 -15.786 1.00 58.97 N ATOM 104 CA THR A 16 -1.528 -13.035 -16.498 1.00 62.79 C ATOM 105 C THR A 16 -1.708 -11.861 -15.513 1.00 61.66 C ATOM 106 O THR A 16 -1.754 -12.061 -14.287 1.00 54.73 O ATOM 107 CB THR A 16 -2.846 -13.241 -17.311 1.00 67.64 C ATOM 108 OG1 THR A 16 -3.959 -13.408 -16.425 1.00 75.35 O ATOM 109 CG2 THR A 16 -2.752 -14.449 -18.219 1.00 70.86 C ATOM 110 HG1 THR A 16 -3.807 -14.200 -15.851 1.00 0.00 H ATOM 111 H THR A 16 -1.604 -14.440 -14.876 1.00 0.00 H ATOM 112 N ASP A 17 -1.784 -10.643 -16.050 1.00 61.51 N ATOM 113 CA ASP A 17 -2.200 -9.471 -15.268 1.00 62.97 C ATOM 114 C ASP A 17 -3.722 -9.238 -15.327 1.00 58.91 C ATOM 115 O ASP A 17 -4.315 -9.108 -16.416 1.00 55.11 O ATOM 116 CB ASP A 17 -1.466 -8.203 -15.716 1.00 67.36 C ATOM 117 CG ASP A 17 0.061 -8.278 -15.497 1.00 71.13 C ATOM 118 OD1 ASP A 17 0.507 -8.712 -14.434 1.00 74.04 O ATOM 119 OD2 ASP A 17 0.831 -7.885 -16.397 1.00 77.86 O ATOM 120 H ASP A 17 -1.541 -10.519 -17.054 1.00 0.00 H ATOM 121 N LEU A 18 -4.343 -9.169 -14.147 1.00 50.31 N ATOM 122 CA LEU A 18 -5.760 -8.919 -14.056 1.00 50.65 C ATOM 123 C LEU A 18 -6.020 -7.452 -14.196 1.00 50.99 C ATOM 124 O LEU A 18 -5.485 -6.650 -13.447 1.00 50.93 O ATOM 125 CB LEU A 18 -6.273 -9.371 -12.673 1.00 51.48 C ATOM 126 CG LEU A 18 -7.793 -9.418 -12.537 1.00 52.76 C ATOM 127 CD1 LEU A 18 -8.448 -10.208 -13.675 1.00 54.43 C ATOM 128 CD2 LEU A 18 -8.146 -9.949 -11.173 1.00 51.71 C ATOM 129 H LEU A 18 -3.792 -9.298 -13.274 1.00 0.00 H ATOM 130 N ASP A 19 -6.819 -7.097 -15.172 1.00 54.38 N ATOM 131 CA ASP A 19 -7.261 -5.738 -15.368 1.00 57.75 C ATOM 132 C ASP A 19 -7.787 -5.152 -14.047 1.00 51.41 C ATOM 133 O ASP A 19 -8.599 -5.769 -13.403 1.00 50.20 O ATOM 134 CB ASP A 19 -8.367 -5.799 -16.421 1.00 63.55 C ATOM 135 CG ASP A 19 -9.029 -4.465 -16.691 1.00 70.84 C ATOM 136 OD1 ASP A 19 -8.543 -3.393 -16.233 1.00 74.75 O ATOM 137 OD2 ASP A 19 -10.055 -4.516 -17.404 1.00 82.84 O ATOM 138 H ASP A 19 -7.149 -7.827 -15.835 1.00 0.00 H ATOM 139 N PRO A 20 -7.339 -3.955 -13.653 1.00 52.29 N ATOM 140 CA PRO A 20 -7.747 -3.487 -12.330 1.00 51.28 C ATOM 141 C PRO A 20 -9.219 -3.134 -12.288 1.00 50.05 C ATOM 142 O PRO A 20 -9.866 -3.295 -11.246 1.00 43.75 O ATOM 143 CB PRO A 20 -6.848 -2.235 -12.097 1.00 56.08 C ATOM 144 CG PRO A 20 -5.682 -2.424 -13.025 1.00 56.79 C ATOM 145 CD PRO A 20 -6.329 -3.044 -14.243 1.00 56.75 C ATOM 146 N ASP A 21 -9.780 -2.714 -13.414 1.00 50.97 N ATOM 147 CA ASP A 21 -11.218 -2.468 -13.427 1.00 51.70 C ATOM 148 C ASP A 21 -12.067 -3.773 -13.389 1.00 48.52 C ATOM 149 O ASP A 21 -13.105 -3.781 -12.731 1.00 41.82 O ATOM 150 CB ASP A 21 -11.608 -1.465 -14.505 1.00 57.12 C ATOM 151 CG ASP A 21 -11.048 -0.012 -14.194 1.00 64.20 C ATOM 152 OD1 ASP A 21 -10.620 0.328 -13.052 1.00 69.85 O ATOM 153 OD2 ASP A 21 -11.043 0.799 -15.089 1.00 67.44 O ATOM 154 H ASP A 21 -9.207 -2.563 -14.269 1.00 0.00 H ATOM 155 N GLU A 22 -11.623 -4.854 -14.039 1.00 45.33 N ATOM 156 CA GLU A 22 -12.321 -6.120 -13.923 1.00 44.36 C ATOM 157 C GLU A 22 -12.286 -6.645 -12.452 1.00 39.50 C ATOM 158 O GLU A 22 -13.273 -7.115 -11.917 1.00 37.24 O ATOM 159 CB GLU A 22 -11.754 -7.143 -14.926 1.00 50.58 C ATOM 160 CG GLU A 22 -12.394 -8.533 -14.884 1.00 55.54 C ATOM 161 CD GLU A 22 -13.927 -8.537 -14.662 1.00 62.02 C ATOM 162 OE1 GLU A 22 -14.671 -7.985 -15.511 1.00 72.56 O ATOM 163 OE2 GLU A 22 -14.409 -9.112 -13.634 1.00 67.25 O ATOM 164 H GLU A 22 -10.771 -4.786 -14.632 1.00 0.00 H ATOM 165 N TRP A 23 -11.156 -6.487 -11.793 1.00 37.07 N ATOM 166 CA TRP A 23 -10.997 -6.874 -10.411 1.00 35.16 C ATOM 167 C TRP A 23 -11.993 -6.122 -9.529 1.00 34.84 C ATOM 168 O TRP A 23 -12.639 -6.739 -8.678 1.00 31.11 O ATOM 169 CB TRP A 23 -9.576 -6.559 -9.990 1.00 38.80 C ATOM 170 CG TRP A 23 -9.186 -6.825 -8.551 1.00 38.24 C ATOM 171 CD1 TRP A 23 -8.488 -6.000 -7.752 1.00 37.82 C ATOM 172 CD2 TRP A 23 -9.453 -7.999 -7.783 1.00 37.36 C ATOM 173 NE1 TRP A 23 -8.283 -6.569 -6.555 1.00 37.00 N ATOM 174 CE2 TRP A 23 -8.850 -7.814 -6.545 1.00 37.15 C ATOM 175 CE3 TRP A 23 -10.116 -9.194 -8.036 1.00 35.83 C ATOM 176 CZ2 TRP A 23 -8.939 -8.753 -5.532 1.00 39.40 C ATOM 177 CZ3 TRP A 23 -10.148 -10.173 -7.031 1.00 38.50 C ATOM 178 CH2 TRP A 23 -9.578 -9.945 -5.801 1.00 36.98 C ATOM 179 HE1 TRP A 23 -7.774 -6.133 -5.760 1.00 0.00 H ATOM 180 H TRP A 23 -10.345 -6.066 -12.289 1.00 0.00 H ATOM 181 N ALA A 24 -12.088 -4.807 -9.747 1.00 32.92 N ATOM 182 CA ALA A 24 -12.955 -3.931 -9.011 1.00 34.71 C ATOM 183 C ALA A 24 -14.418 -4.312 -9.268 1.00 33.50 C ATOM 184 O ALA A 24 -15.204 -4.389 -8.344 1.00 32.21 O ATOM 185 CB ALA A 24 -12.672 -2.445 -9.360 1.00 36.85 C ATOM 186 H ALA A 24 -11.497 -4.393 -10.496 1.00 0.00 H ATOM 187 N LYS A 25 -14.766 -4.591 -10.503 1.00 33.96 N ATOM 188 CA LYS A 25 -16.121 -4.949 -10.865 1.00 37.47 C ATOM 189 C LYS A 25 -16.473 -6.313 -10.277 1.00 37.39 C ATOM 190 O LYS A 25 -17.600 -6.539 -9.785 1.00 33.40 O ATOM 191 CB LYS A 25 -16.291 -4.939 -12.391 1.00 43.30 C ATOM 192 CG LYS A 25 -17.709 -5.231 -12.845 1.00 53.40 C ATOM 193 CD LYS A 25 -18.007 -4.973 -14.353 1.00 64.15 C ATOM 194 CE LYS A 25 -16.739 -4.855 -15.247 1.00 71.54 C ATOM 195 NZ LYS A 25 -17.028 -4.802 -16.724 1.00 78.20 N ATOM 196 HZ1 LYS A 25 -17.524 -5.670 -17.010 1.00 0.00 H ATOM 197 HZ2 LYS A 25 -17.625 -3.976 -16.930 1.00 0.00 H ATOM 198 HZ3 LYS A 25 -16.133 -4.724 -17.248 1.00 0.00 H ATOM 199 H LYS A 25 -14.042 -4.553 -11.248 1.00 0.00 H ATOM 200 N ALA A 26 -15.503 -7.222 -10.295 1.00 36.90 N ATOM 201 CA ALA A 26 -15.736 -8.558 -9.701 1.00 42.25 C ATOM 202 C ALA A 26 -16.018 -8.447 -8.196 1.00 34.59 C ATOM 203 O ALA A 26 -17.002 -9.013 -7.709 1.00 32.78 O ATOM 204 CB ALA A 26 -14.562 -9.506 -9.956 1.00 41.99 C ATOM 205 H ALA A 26 -14.584 -6.995 -10.725 1.00 0.00 H ATOM 206 N GLN A 27 -15.237 -7.652 -7.478 1.00 32.37 N ATOM 207 CA GLN A 27 -15.448 -7.501 -6.029 1.00 31.16 C ATOM 208 C GLN A 27 -16.842 -6.897 -5.719 1.00 34.87 C ATOM 209 O GLN A 27 -17.611 -7.399 -4.865 1.00 32.86 O ATOM 210 CB GLN A 27 -14.425 -6.577 -5.417 1.00 32.61 C ATOM 211 CG GLN A 27 -13.067 -7.195 -5.323 1.00 34.65 C ATOM 212 CD GLN A 27 -12.046 -6.187 -4.904 1.00 37.81 C ATOM 213 OE1 GLN A 27 -12.030 -5.764 -3.750 1.00 35.35 O ATOM 214 NE2 GLN A 27 -11.175 -5.794 -5.831 1.00 37.78 N ATOM 215 HE22 GLN A 27 -11.230 -6.182 -6.794 1.00 0.00 H ATOM 216 HE21 GLN A 27 -10.439 -5.099 -5.592 1.00 0.00 H ATOM 217 H GLN A 27 -14.467 -7.130 -7.943 1.00 0.00 H ATOM 218 N ALA A 28 -17.194 -5.848 -6.454 1.00 33.76 N ATOM 219 CA ALA A 28 -18.485 -5.184 -6.252 1.00 36.67 C ATOM 220 C ALA A 28 -19.658 -6.097 -6.611 1.00 35.93 C ATOM 221 O ALA A 28 -20.684 -5.967 -6.039 1.00 41.30 O ATOM 222 CB ALA A 28 -18.582 -3.916 -7.093 1.00 38.94 C ATOM 223 H ALA A 28 -16.544 -5.493 -7.184 1.00 0.00 H ATOM 224 N SER A 29 -19.505 -7.004 -7.544 1.00 35.48 N ATOM 225 CA SER A 29 -20.595 -7.893 -7.929 1.00 33.97 C ATOM 226 C SER A 29 -20.871 -9.045 -6.956 1.00 34.44 C ATOM 227 O SER A 29 -21.956 -9.687 -7.026 1.00 34.51 O ATOM 228 CB SER A 29 -20.327 -8.489 -9.302 1.00 35.47 C ATOM 229 OG SER A 29 -19.311 -9.493 -9.262 1.00 38.48 O ATOM 230 HG SER A 29 -18.468 -9.095 -8.928 1.00 0.00 H ATOM 231 H SER A 29 -18.585 -7.092 -8.021 1.00 0.00 H ATOM 232 N ALA A 30 -19.964 -9.241 -6.008 1.00 32.35 N ATOM 233 CA ALA A 30 -19.965 -10.376 -5.088 1.00 34.15 C ATOM 234 C ALA A 30 -20.657 -10.100 -3.792 1.00 33.46 C ATOM 235 O ALA A 30 -20.514 -9.042 -3.239 1.00 34.76 O ATOM 236 CB ALA A 30 -18.549 -10.781 -4.784 1.00 33.75 C ATOM 237 H ALA A 30 -19.201 -8.540 -5.913 1.00 0.00 H ATOM 238 N GLU A 31 -21.309 -11.108 -3.258 1.00 32.12 N ATOM 239 CA GLU A 31 -22.000 -11.002 -2.000 1.00 36.39 C ATOM 240 C GLU A 31 -20.953 -11.137 -0.845 1.00 34.16 C ATOM 241 O GLU A 31 -21.147 -10.590 0.210 1.00 33.76 O ATOM 242 CB GLU A 31 -23.074 -12.073 -1.973 1.00 47.99 C ATOM 243 CG GLU A 31 -24.366 -11.640 -1.324 1.00 62.77 C ATOM 244 CD GLU A 31 -24.528 -12.255 0.035 1.00 71.35 C ATOM 245 OE1 GLU A 31 -23.542 -12.876 0.480 1.00 80.60 O ATOM 246 OE2 GLU A 31 -25.625 -12.126 0.635 1.00 86.34 O ATOM 247 H GLU A 31 -21.326 -12.017 -3.763 1.00 0.00 H ATOM 248 N ARG A 32 -19.835 -11.819 -1.072 1.00 31.17 N ATOM 249 CA ARG A 32 -18.740 -11.971 -0.084 1.00 32.25 C ATOM 250 C ARG A 32 -17.451 -12.294 -0.823 1.00 29.35 C ATOM 251 O ARG A 32 -17.454 -12.892 -1.907 1.00 30.29 O ATOM 252 CB ARG A 32 -19.157 -13.170 0.784 1.00 42.34 C ATOM 253 CG ARG A 32 -18.335 -13.579 1.980 1.00 46.78 C ATOM 254 CD ARG A 32 -19.081 -14.701 2.790 1.00 51.41 C ATOM 255 NE ARG A 32 -18.407 -14.923 4.062 1.00 51.38 N ATOM 256 CZ ARG A 32 -18.484 -14.079 5.104 1.00 58.59 C ATOM 257 NH1 ARG A 32 -19.254 -13.004 5.031 1.00 57.23 N ATOM 258 NH2 ARG A 32 -17.811 -14.300 6.244 1.00 55.47 N ATOM 259 HE ARG A 32 -17.834 -15.784 4.170 1.00 0.00 H ATOM 260 HH12 ARG A 32 -19.313 -12.351 5.838 1.00 0.00 H ATOM 261 HH11 ARG A 32 -19.800 -12.813 4.166 1.00 0.00 H ATOM 262 HH22 ARG A 32 -17.891 -13.628 7.034 1.00 0.00 H ATOM 263 HH21 ARG A 32 -17.210 -15.143 6.338 1.00 0.00 H ATOM 264 H ARG A 32 -19.721 -12.274 -2.000 1.00 0.00 H ATOM 265 N ILE A 33 -16.340 -11.842 -0.302 1.00 25.36 N ATOM 266 CA ILE A 33 -15.029 -12.119 -0.860 1.00 25.93 C ATOM 267 C ILE A 33 -14.260 -12.961 0.153 1.00 26.59 C ATOM 268 O ILE A 33 -14.089 -12.551 1.301 1.00 26.75 O ATOM 269 CB ILE A 33 -14.304 -10.825 -1.172 1.00 27.29 C ATOM 270 CG1 ILE A 33 -15.045 -10.174 -2.305 1.00 34.52 C ATOM 271 CG2 ILE A 33 -12.898 -11.085 -1.633 1.00 29.39 C ATOM 272 CD1 ILE A 33 -15.253 -8.714 -2.185 1.00 40.83 C ATOM 273 H ILE A 33 -16.399 -11.255 0.555 1.00 0.00 H ATOM 274 N LEU A 34 -13.935 -14.164 -0.251 1.00 24.63 N ATOM 275 CA LEU A 34 -13.185 -15.082 0.582 1.00 27.09 C ATOM 276 C LEU A 34 -11.752 -15.231 0.028 1.00 27.61 C ATOM 277 O LEU A 34 -11.525 -15.472 -1.180 1.00 29.60 O ATOM 278 CB LEU A 34 -13.968 -16.371 0.680 1.00 28.81 C ATOM 279 CG LEU A 34 -13.287 -17.598 1.233 1.00 37.88 C ATOM 280 CD1 LEU A 34 -13.123 -17.488 2.751 1.00 44.77 C ATOM 281 CD2 LEU A 34 -14.091 -18.871 0.891 1.00 43.92 C ATOM 282 H LEU A 34 -14.225 -14.470 -1.202 1.00 0.00 H ATOM 283 N VAL A 35 -10.777 -14.893 0.852 1.00 24.64 N ATOM 284 CA VAL A 35 -9.371 -15.048 0.475 1.00 26.43 C ATOM 285 C VAL A 35 -8.807 -16.296 1.199 1.00 29.26 C ATOM 286 O VAL A 35 -8.747 -16.329 2.463 1.00 28.08 O ATOM 287 CB VAL A 35 -8.610 -13.803 0.832 1.00 26.61 C ATOM 288 CG1 VAL A 35 -7.158 -13.966 0.479 1.00 30.82 C ATOM 289 CG2 VAL A 35 -9.102 -12.619 0.035 1.00 29.66 C ATOM 290 H VAL A 35 -11.013 -14.508 1.789 1.00 0.00 H ATOM 291 N ASP A 36 -8.480 -17.319 0.431 1.00 28.87 N ATOM 292 CA ASP A 36 -7.915 -18.598 0.888 1.00 31.58 C ATOM 293 C ASP A 36 -6.360 -18.584 0.747 1.00 32.49 C ATOM 294 O ASP A 36 -5.739 -18.601 -0.361 1.00 33.57 O ATOM 295 CB ASP A 36 -8.616 -19.698 0.106 1.00 40.42 C ATOM 296 CG ASP A 36 -8.329 -21.115 0.613 1.00 53.52 C ATOM 297 OD1 ASP A 36 -8.380 -21.342 1.847 1.00 59.21 O ATOM 298 OD2 ASP A 36 -8.096 -22.031 -0.249 1.00 54.99 O ATOM 299 H ASP A 36 -8.636 -17.211 -0.591 1.00 0.00 H ATOM 300 N VAL A 37 -5.684 -18.471 1.872 1.00 28.40 N ATOM 301 CA VAL A 37 -4.255 -18.243 1.864 1.00 30.58 C ATOM 302 C VAL A 37 -3.525 -19.599 1.930 1.00 31.02 C ATOM 303 O VAL A 37 -3.837 -20.454 2.768 1.00 33.55 O ATOM 304 CB VAL A 37 -3.847 -17.293 2.995 1.00 33.97 C ATOM 305 CG1 VAL A 37 -2.336 -17.054 3.015 1.00 37.30 C ATOM 306 CG2 VAL A 37 -4.539 -15.949 2.858 1.00 33.40 C ATOM 307 H VAL A 37 -6.185 -18.547 2.780 1.00 0.00 H ATOM 308 N GLY A 38 -2.559 -19.813 1.044 1.00 34.97 N ATOM 309 CA GLY A 38 -1.923 -21.160 0.947 1.00 35.52 C ATOM 310 C GLY A 38 -2.947 -22.188 0.502 1.00 38.82 C ATOM 311 O GLY A 38 -3.296 -23.122 1.221 1.00 43.99 O ATOM 312 H GLY A 38 -2.246 -19.043 0.419 1.00 0.00 H ATOM 313 N THR A 39 -3.398 -22.049 -0.725 1.00 38.34 N ATOM 314 CA THR A 39 -4.557 -22.834 -1.225 1.00 39.23 C ATOM 315 C THR A 39 -4.057 -24.133 -1.877 1.00 39.92 C ATOM 316 O THR A 39 -4.816 -25.063 -2.094 1.00 43.48 O ATOM 317 CB THR A 39 -5.405 -21.935 -2.183 1.00 38.75 C ATOM 318 OG1 THR A 39 -6.641 -22.565 -2.566 1.00 42.75 O ATOM 319 CG2 THR A 39 -4.594 -21.602 -3.396 1.00 41.41 C ATOM 320 HG1 THR A 39 -7.181 -22.749 -1.757 1.00 0.00 H ATOM 321 H THR A 39 -2.932 -21.372 -1.362 1.00 0.00 H ATOM 322 N GLY A 40 -2.764 -24.198 -2.165 1.00 43.45 N ATOM 323 CA GLY A 40 -2.133 -25.462 -2.562 1.00 43.99 C ATOM 324 C GLY A 40 -2.528 -25.844 -3.976 1.00 45.32 C ATOM 325 O GLY A 40 -2.283 -25.084 -4.907 1.00 45.19 O ATOM 326 H GLY A 40 -2.186 -23.336 -2.108 1.00 0.00 H ATOM 327 N ASP A 41 -3.176 -26.995 -4.133 1.00 43.36 N ATOM 328 CA ASP A 41 -3.692 -27.401 -5.456 1.00 46.18 C ATOM 329 C ASP A 41 -5.009 -26.729 -5.787 1.00 42.20 C ATOM 330 O ASP A 41 -5.445 -26.825 -6.890 1.00 44.52 O ATOM 331 CB ASP A 41 -3.810 -28.929 -5.560 1.00 51.12 C ATOM 332 CG ASP A 41 -4.910 -29.504 -4.658 1.00 53.19 C ATOM 333 OD1 ASP A 41 -5.764 -28.774 -4.089 1.00 47.74 O ATOM 334 OD2 ASP A 41 -4.919 -30.732 -4.525 1.00 62.90 O ATOM 335 H ASP A 41 -3.321 -27.618 -3.313 1.00 0.00 H ATOM 336 N ALA A 42 -5.606 -26.030 -4.806 1.00 39.49 N ATOM 337 CA ALA A 42 -6.713 -25.122 -4.950 1.00 38.27 C ATOM 338 C ALA A 42 -8.032 -25.830 -5.120 1.00 39.47 C ATOM 339 O ALA A 42 -9.032 -25.182 -5.433 1.00 37.83 O ATOM 340 CB ALA A 42 -6.464 -24.143 -6.088 1.00 41.04 C ATOM 341 H ALA A 42 -5.229 -26.159 -3.845 1.00 0.00 H ATOM 342 N ARG A 43 -8.052 -27.133 -4.850 1.00 37.58 N ATOM 343 CA ARG A 43 -9.233 -27.940 -5.056 1.00 41.77 C ATOM 344 C ARG A 43 -10.306 -27.618 -4.055 1.00 40.99 C ATOM 345 O ARG A 43 -11.498 -27.658 -4.378 1.00 40.43 O ATOM 346 CB ARG A 43 -8.917 -29.455 -5.020 1.00 46.91 C ATOM 347 CG ARG A 43 -8.414 -30.016 -6.336 1.00 54.59 C ATOM 348 CD ARG A 43 -8.108 -31.499 -6.201 1.00 61.74 C ATOM 349 NE ARG A 43 -7.843 -32.085 -7.510 1.00 78.25 N ATOM 350 CZ ARG A 43 -8.610 -32.981 -8.161 1.00 86.15 C ATOM 351 NH1 ARG A 43 -9.755 -33.453 -7.660 1.00 91.07 N ATOM 352 NH2 ARG A 43 -8.218 -33.415 -9.349 1.00 85.74 N ATOM 353 HE ARG A 43 -6.972 -31.780 -7.990 1.00 0.00 H ATOM 354 HH12 ARG A 43 -10.313 -34.144 -8.200 1.00 0.00 H ATOM 355 HH11 ARG A 43 -10.088 -33.129 -6.730 1.00 0.00 H ATOM 356 HH22 ARG A 43 -8.797 -34.107 -9.867 1.00 0.00 H ATOM 357 HH21 ARG A 43 -7.331 -33.064 -9.764 1.00 0.00 H ATOM 358 H ARG A 43 -7.191 -27.584 -4.479 1.00 0.00 H ATOM 359 N THR A 44 -9.900 -27.274 -2.843 1.00 41.67 N ATOM 360 CA THR A 44 -10.837 -26.865 -1.817 1.00 39.30 C ATOM 361 C THR A 44 -11.435 -25.476 -2.219 1.00 38.61 C ATOM 362 O THR A 44 -12.657 -25.239 -2.026 1.00 33.92 O ATOM 363 CB THR A 44 -10.142 -26.755 -0.429 1.00 43.71 C ATOM 364 OG1 THR A 44 -9.619 -28.029 -0.073 1.00 45.93 O ATOM 365 CG2 THR A 44 -11.082 -26.278 0.666 1.00 42.66 C ATOM 366 HG1 THR A 44 -9.175 -27.967 0.810 1.00 0.00 H ATOM 367 H THR A 44 -8.884 -27.298 -2.622 1.00 0.00 H ATOM 368 N ALA A 45 -10.605 -24.598 -2.789 1.00 33.45 N ATOM 369 CA ALA A 45 -11.076 -23.257 -3.122 1.00 31.20 C ATOM 370 C ALA A 45 -12.070 -23.373 -4.283 1.00 34.24 C ATOM 371 O ALA A 45 -13.109 -22.719 -4.287 1.00 33.51 O ATOM 372 CB ALA A 45 -9.914 -22.392 -3.506 1.00 33.62 C ATOM 373 H ALA A 45 -9.623 -24.870 -2.996 1.00 0.00 H ATOM 374 N TYR A 46 -11.806 -24.330 -5.188 1.00 33.85 N ATOM 375 CA TYR A 46 -12.633 -24.523 -6.372 1.00 35.84 C ATOM 376 C TYR A 46 -13.989 -25.041 -5.912 1.00 41.24 C ATOM 377 O TYR A 46 -15.058 -24.561 -6.397 1.00 35.25 O ATOM 378 CB TYR A 46 -11.928 -25.516 -7.346 1.00 38.20 C ATOM 379 CG TYR A 46 -12.767 -26.001 -8.463 1.00 40.07 C ATOM 380 CD1 TYR A 46 -12.954 -25.220 -9.593 1.00 40.93 C ATOM 381 CD2 TYR A 46 -13.373 -27.246 -8.417 1.00 40.99 C ATOM 382 CE1 TYR A 46 -13.692 -25.696 -10.659 1.00 44.14 C ATOM 383 CE2 TYR A 46 -14.141 -27.680 -9.449 1.00 45.06 C ATOM 384 CZ TYR A 46 -14.290 -26.901 -10.583 1.00 45.80 C ATOM 385 OH TYR A 46 -15.067 -27.337 -11.639 1.00 49.37 O ATOM 386 HH TYR A 46 -15.058 -26.656 -12.357 1.00 0.00 H ATOM 387 H TYR A 46 -10.986 -24.952 -5.039 1.00 0.00 H ATOM 388 N ARG A 47 -13.951 -25.968 -4.925 1.00 41.18 N ATOM 389 CA ARG A 47 -15.206 -26.535 -4.384 1.00 41.20 C ATOM 390 C ARG A 47 -16.065 -25.461 -3.776 1.00 34.71 C ATOM 391 O ARG A 47 -17.265 -25.501 -3.913 1.00 33.08 O ATOM 392 CB ARG A 47 -14.988 -27.661 -3.358 1.00 45.94 C ATOM 393 CG ARG A 47 -14.630 -28.956 -4.022 1.00 57.08 C ATOM 394 CD ARG A 47 -14.422 -30.076 -3.037 1.00 67.65 C ATOM 395 NE ARG A 47 -13.976 -31.279 -3.764 1.00 78.67 N ATOM 396 CZ ARG A 47 -12.713 -31.702 -3.846 1.00 84.23 C ATOM 397 NH1 ARG A 47 -11.724 -31.047 -3.220 1.00 85.36 N ATOM 398 NH2 ARG A 47 -12.441 -32.803 -4.544 1.00 84.43 N ATOM 399 HE ARG A 47 -14.703 -31.842 -4.251 1.00 0.00 H ATOM 400 HH12 ARG A 47 -10.745 -31.390 -3.294 1.00 0.00 H ATOM 401 HH11 ARG A 47 -11.936 -30.196 -2.661 1.00 0.00 H ATOM 402 HH22 ARG A 47 -11.461 -33.144 -4.616 1.00 0.00 H ATOM 403 HH21 ARG A 47 -13.208 -33.322 -5.017 1.00 0.00 H ATOM 404 H ARG A 47 -13.035 -26.283 -4.546 1.00 0.00 H ATOM 405 N GLN A 48 -15.437 -24.556 -3.060 1.00 34.76 N ATOM 406 CA GLN A 48 -16.141 -23.469 -2.412 1.00 36.82 C ATOM 407 C GLN A 48 -16.742 -22.540 -3.484 1.00 32.74 C ATOM 408 O GLN A 48 -17.900 -22.106 -3.381 1.00 31.10 O ATOM 409 CB GLN A 48 -15.192 -22.680 -1.508 1.00 41.61 C ATOM 410 CG GLN A 48 -14.596 -23.433 -0.320 1.00 47.38 C ATOM 411 CD GLN A 48 -13.524 -22.613 0.498 1.00 61.95 C ATOM 412 OE1 GLN A 48 -12.550 -22.066 -0.052 1.00 67.24 O ATOM 413 NE2 GLN A 48 -13.690 -22.582 1.829 1.00 63.68 N ATOM 414 HE22 GLN A 48 -14.513 -23.048 2.261 1.00 0.00 H ATOM 415 HE21 GLN A 48 -12.995 -22.092 2.428 1.00 0.00 H ATOM 416 H GLN A 48 -14.404 -24.622 -2.956 1.00 0.00 H ATOM 417 N ALA A 49 -15.954 -22.269 -4.514 1.00 30.40 N ATOM 418 CA ALA A 49 -16.425 -21.442 -5.650 1.00 28.59 C ATOM 419 C ALA A 49 -17.603 -22.034 -6.293 1.00 29.62 C ATOM 420 O ALA A 49 -18.547 -21.336 -6.629 1.00 27.95 O ATOM 421 CB ALA A 49 -15.334 -21.217 -6.672 1.00 27.93 C ATOM 422 H ALA A 49 -14.984 -22.645 -4.526 1.00 0.00 H ATOM 423 N ILE A 50 -17.564 -23.337 -6.540 1.00 32.82 N ATOM 424 CA ILE A 50 -18.679 -23.999 -7.167 1.00 35.50 C ATOM 425 C ILE A 50 -19.929 -24.004 -6.259 1.00 35.50 C ATOM 426 O ILE A 50 -21.094 -23.948 -6.720 1.00 35.49 O ATOM 427 CB ILE A 50 -18.302 -25.481 -7.473 1.00 39.80 C ATOM 428 CG1 ILE A 50 -17.291 -25.600 -8.653 1.00 42.19 C ATOM 429 CG2 ILE A 50 -19.547 -26.264 -7.801 1.00 41.84 C ATOM 430 CD1 ILE A 50 -17.682 -24.764 -9.888 1.00 43.64 C ATOM 431 H ILE A 50 -16.720 -23.886 -6.278 1.00 0.00 H ATOM 432 N ALA A 51 -19.715 -24.202 -4.970 1.00 31.17 N ATOM 433 CA ALA A 51 -20.886 -24.249 -4.015 1.00 34.08 C ATOM 434 C ALA A 51 -21.455 -22.857 -3.743 1.00 29.71 C ATOM 435 O ALA A 51 -22.630 -22.745 -3.443 1.00 31.45 O ATOM 436 CB ALA A 51 -20.486 -24.876 -2.663 1.00 35.56 C ATOM 437 H ALA A 51 -18.746 -24.325 -4.614 1.00 0.00 H ATOM 438 N HIS A 52 -20.660 -21.818 -3.889 1.00 28.77 N ATOM 439 CA HIS A 52 -21.151 -20.466 -3.680 1.00 31.05 C ATOM 440 C HIS A 52 -20.760 -19.553 -4.819 1.00 28.28 C ATOM 441 O HIS A 52 -19.814 -18.805 -4.708 1.00 28.30 O ATOM 442 CB HIS A 52 -20.574 -19.910 -2.385 1.00 34.73 C ATOM 443 CG HIS A 52 -20.960 -20.712 -1.207 1.00 42.02 C ATOM 444 ND1 HIS A 52 -22.149 -20.519 -0.535 1.00 49.84 N ATOM 445 CD2 HIS A 52 -20.315 -21.732 -0.574 1.00 46.53 C ATOM 446 CE1 HIS A 52 -22.214 -21.385 0.470 1.00 51.40 C ATOM 447 NE2 HIS A 52 -21.108 -22.117 0.472 1.00 47.14 N ATOM 448 H HIS A 52 -19.666 -21.967 -4.158 1.00 0.00 H ATOM 449 N PRO A 53 -21.521 -19.587 -5.919 1.00 28.68 N ATOM 450 CA PRO A 53 -21.167 -18.792 -7.086 1.00 29.42 C ATOM 451 C PRO A 53 -21.344 -17.273 -6.849 1.00 29.45 C ATOM 452 O PRO A 53 -20.898 -16.470 -7.673 1.00 29.32 O ATOM 453 CB PRO A 53 -22.147 -19.304 -8.142 1.00 30.69 C ATOM 454 CG PRO A 53 -23.308 -19.853 -7.395 1.00 30.43 C ATOM 455 CD PRO A 53 -22.710 -20.397 -6.143 1.00 30.26 C ATOM 456 N GLU A 54 -21.980 -16.897 -5.746 1.00 27.82 N ATOM 457 CA GLU A 54 -22.114 -15.485 -5.357 1.00 28.12 C ATOM 458 C GLU A 54 -20.876 -15.039 -4.608 1.00 28.51 C ATOM 459 O GLU A 54 -20.705 -13.852 -4.301 1.00 28.44 O ATOM 460 CB GLU A 54 -23.390 -15.225 -4.551 1.00 28.95 C ATOM 461 CG GLU A 54 -23.401 -15.626 -3.056 1.00 31.33 C ATOM 462 CD GLU A 54 -23.606 -17.151 -2.841 1.00 36.02 C ATOM 463 OE1 GLU A 54 -23.574 -17.972 -3.785 1.00 35.26 O ATOM 464 OE2 GLU A 54 -23.912 -17.530 -1.707 1.00 44.82 O ATOM 465 H GLU A 54 -22.399 -17.627 -5.135 1.00 0.00 H ATOM 466 N TRP A 55 -20.023 -15.975 -4.260 1.00 27.00 N ATOM 467 CA TRP A 55 -18.751 -15.517 -3.592 1.00 28.63 C ATOM 468 C TRP A 55 -17.612 -15.398 -4.575 1.00 27.15 C ATOM 469 O TRP A 55 -17.420 -16.322 -5.386 1.00 25.91 O ATOM 470 CB TRP A 55 -18.278 -16.568 -2.582 1.00 28.97 C ATOM 471 CG TRP A 55 -19.183 -16.814 -1.355 1.00 32.28 C ATOM 472 CD1 TRP A 55 -20.300 -16.132 -1.006 1.00 36.72 C ATOM 473 CD2 TRP A 55 -18.954 -17.758 -0.294 1.00 35.45 C ATOM 474 NE1 TRP A 55 -20.768 -16.577 0.199 1.00 36.09 N ATOM 475 CE2 TRP A 55 -19.990 -17.600 0.635 1.00 39.38 C ATOM 476 CE3 TRP A 55 -17.992 -18.734 -0.067 1.00 41.94 C ATOM 477 CZ2 TRP A 55 -20.097 -18.369 1.795 1.00 45.15 C ATOM 478 CZ3 TRP A 55 -18.104 -19.517 1.099 1.00 46.10 C ATOM 479 CH2 TRP A 55 -19.142 -19.319 2.004 1.00 45.00 C ATOM 480 HE1 TRP A 55 -21.592 -16.192 0.703 1.00 0.00 H ATOM 481 H TRP A 55 -20.215 -16.982 -4.436 1.00 0.00 H ATOM 482 N LEU A 56 -16.789 -14.382 -4.411 1.00 23.88 N ATOM 483 CA LEU A 56 -15.525 -14.342 -5.087 1.00 26.09 C ATOM 484 C LEU A 56 -14.501 -15.009 -4.164 1.00 26.26 C ATOM 485 O LEU A 56 -14.267 -14.579 -3.036 1.00 25.98 O ATOM 486 CB LEU A 56 -15.144 -12.887 -5.385 1.00 26.42 C ATOM 487 CG LEU A 56 -13.966 -12.645 -6.252 1.00 29.30 C ATOM 488 CD1 LEU A 56 -14.363 -13.010 -7.674 1.00 32.08 C ATOM 489 CD2 LEU A 56 -13.693 -11.122 -6.194 1.00 32.32 C ATOM 490 H LEU A 56 -17.060 -13.599 -3.783 1.00 0.00 H ATOM 491 N VAL A 57 -13.936 -16.098 -4.680 1.00 26.90 N ATOM 492 CA VAL A 57 -13.090 -16.982 -4.009 1.00 29.10 C ATOM 493 C VAL A 57 -11.675 -16.789 -4.545 1.00 27.95 C ATOM 494 O VAL A 57 -11.391 -17.094 -5.695 1.00 28.71 O ATOM 495 CB VAL A 57 -13.593 -18.460 -4.085 1.00 29.63 C ATOM 496 CG1 VAL A 57 -12.647 -19.342 -3.324 1.00 32.29 C ATOM 497 CG2 VAL A 57 -14.950 -18.606 -3.460 1.00 28.46 C ATOM 498 H VAL A 57 -14.145 -16.310 -5.677 1.00 0.00 H ATOM 499 N VAL A 58 -10.818 -16.191 -3.724 1.00 23.81 N ATOM 500 CA VAL A 58 -9.463 -15.822 -4.143 1.00 26.27 C ATOM 501 C VAL A 58 -8.432 -16.692 -3.471 1.00 29.30 C ATOM 502 O VAL A 58 -8.279 -16.651 -2.230 1.00 30.67 O ATOM 503 CB VAL A 58 -9.144 -14.375 -3.691 1.00 28.06 C ATOM 504 CG1 VAL A 58 -7.807 -13.999 -4.232 1.00 29.29 C ATOM 505 CG2 VAL A 58 -10.242 -13.386 -4.149 1.00 28.79 C ATOM 506 H VAL A 58 -11.119 -15.978 -2.752 1.00 0.00 H ATOM 507 N GLY A 59 -7.755 -17.522 -4.225 1.00 31.60 N ATOM 508 CA GLY A 59 -6.789 -18.433 -3.645 1.00 32.87 C ATOM 509 C GLY A 59 -5.433 -17.822 -3.852 1.00 35.28 C ATOM 510 O GLY A 59 -5.126 -17.325 -4.950 1.00 38.45 O ATOM 511 H GLY A 59 -7.913 -17.527 -5.253 1.00 0.00 H ATOM 512 N VAL A 60 -4.613 -17.801 -2.813 1.00 35.03 N ATOM 513 CA VAL A 60 -3.321 -17.119 -2.872 1.00 34.19 C ATOM 514 C VAL A 60 -2.290 -18.177 -2.510 1.00 40.31 C ATOM 515 O VAL A 60 -2.403 -18.868 -1.464 1.00 40.52 O ATOM 516 CB VAL A 60 -3.244 -15.986 -1.864 1.00 37.00 C ATOM 517 CG1 VAL A 60 -1.852 -15.430 -1.808 1.00 40.36 C ATOM 518 CG2 VAL A 60 -4.276 -14.872 -2.133 1.00 37.60 C ATOM 519 H VAL A 60 -4.894 -18.281 -1.934 1.00 0.00 H ATOM 520 N ASP A 61 -1.298 -18.349 -3.384 1.00 41.86 N ATOM 521 CA ASP A 61 -0.186 -19.241 -3.105 1.00 42.99 C ATOM 522 C ASP A 61 1.013 -18.815 -3.950 1.00 42.17 C ATOM 523 O ASP A 61 0.876 -18.584 -5.150 1.00 43.50 O ATOM 524 CB ASP A 61 -0.586 -20.701 -3.415 1.00 45.85 C ATOM 525 CG ASP A 61 0.299 -21.749 -2.663 1.00 46.49 C ATOM 526 OD1 ASP A 61 1.532 -21.728 -2.850 1.00 47.34 O ATOM 527 OD2 ASP A 61 -0.270 -22.563 -1.890 1.00 42.46 O ATOM 528 H ASP A 61 -1.321 -17.833 -4.286 1.00 0.00 H ATOM 529 N PRO A 62 2.189 -18.721 -3.354 1.00 41.97 N ATOM 530 CA PRO A 62 3.388 -18.514 -4.212 1.00 46.11 C ATOM 531 C PRO A 62 3.727 -19.664 -5.184 1.00 48.86 C ATOM 532 O PRO A 62 4.332 -19.451 -6.260 1.00 51.15 O ATOM 533 CB PRO A 62 4.536 -18.364 -3.197 1.00 46.02 C ATOM 534 CG PRO A 62 4.099 -19.143 -2.010 1.00 45.95 C ATOM 535 CD PRO A 62 2.553 -18.997 -1.960 1.00 44.16 C ATOM 536 N ALA A 63 3.378 -20.882 -4.806 1.00 50.13 N ATOM 537 CA ALA A 63 3.691 -22.047 -5.636 1.00 49.99 C ATOM 538 C ALA A 63 2.663 -22.158 -6.728 1.00 49.05 C ATOM 539 O ALA A 63 1.826 -23.055 -6.689 1.00 47.59 O ATOM 540 CB ALA A 63 3.648 -23.301 -4.772 1.00 52.44 C ATOM 541 H ALA A 63 2.874 -21.015 -3.906 1.00 0.00 H ATOM 542 N TRP A 64 2.672 -21.235 -7.680 1.00 49.45 N ATOM 543 CA TRP A 64 1.549 -21.162 -8.631 1.00 54.53 C ATOM 544 C TRP A 64 1.350 -22.385 -9.557 1.00 55.41 C ATOM 545 O TRP A 64 0.202 -22.669 -9.942 1.00 55.91 O ATOM 546 CB TRP A 64 1.561 -19.852 -9.416 1.00 56.68 C ATOM 547 CG TRP A 64 2.676 -19.730 -10.358 1.00 60.17 C ATOM 548 CD1 TRP A 64 3.908 -19.220 -10.097 1.00 62.81 C ATOM 549 CD2 TRP A 64 2.665 -20.099 -11.740 1.00 68.51 C ATOM 550 NE1 TRP A 64 4.694 -19.269 -11.247 1.00 69.73 N ATOM 551 CE2 TRP A 64 3.945 -19.794 -12.269 1.00 70.88 C ATOM 552 CE3 TRP A 64 1.699 -20.652 -12.586 1.00 70.51 C ATOM 553 CZ2 TRP A 64 4.281 -20.035 -13.597 1.00 77.29 C ATOM 554 CZ3 TRP A 64 2.034 -20.892 -13.919 1.00 77.06 C ATOM 555 CH2 TRP A 64 3.317 -20.575 -14.412 1.00 79.95 C ATOM 556 HE1 TRP A 64 5.684 -18.959 -11.318 1.00 0.00 H ATOM 557 H TRP A 64 3.466 -20.567 -7.755 1.00 0.00 H ATOM 558 N GLN A 65 2.420 -23.133 -9.849 1.00 56.46 N ATOM 559 CA GLN A 65 2.344 -24.281 -10.778 1.00 63.11 C ATOM 560 C GLN A 65 1.443 -25.322 -10.204 1.00 60.36 C ATOM 561 O GLN A 65 0.772 -26.017 -10.939 1.00 68.44 O ATOM 562 CB GLN A 65 3.707 -24.971 -11.050 1.00 67.24 C ATOM 563 CG GLN A 65 4.820 -24.039 -11.408 1.00 72.92 C ATOM 564 CD GLN A 65 4.721 -23.593 -12.833 1.00 85.99 C ATOM 565 OE1 GLN A 65 3.632 -23.466 -13.380 1.00 88.12 O ATOM 566 NE2 GLN A 65 5.871 -23.371 -13.460 1.00 97.38 N ATOM 567 HE22 GLN A 65 6.771 -23.492 -12.954 1.00 0.00 H ATOM 568 HE21 GLN A 65 5.871 -23.076 -14.457 1.00 0.00 H ATOM 569 H GLN A 65 3.333 -22.900 -9.409 1.00 0.00 H ATOM 570 N ARG A 66 1.428 -25.459 -8.900 1.00 54.82 N ATOM 571 CA ARG A 66 0.560 -26.455 -8.307 1.00 59.62 C ATOM 572 C ARG A 66 -0.938 -26.161 -8.507 1.00 56.93 C ATOM 573 O ARG A 66 -1.767 -27.058 -8.361 1.00 55.14 O ATOM 574 CB ARG A 66 0.836 -26.543 -6.820 1.00 63.67 C ATOM 575 CG ARG A 66 2.153 -27.206 -6.531 1.00 70.89 C ATOM 576 CD ARG A 66 2.564 -26.942 -5.103 1.00 79.62 C ATOM 577 NE ARG A 66 1.694 -27.632 -4.168 1.00 85.98 N ATOM 578 CZ ARG A 66 1.709 -27.421 -2.860 1.00 97.54 C ATOM 579 NH1 ARG A 66 2.546 -26.522 -2.351 1.00 93.04 N ATOM 580 NH2 ARG A 66 0.877 -28.102 -2.063 1.00103.22 N ATOM 581 HE ARG A 66 1.022 -28.330 -4.546 1.00 0.00 H ATOM 582 HH12 ARG A 66 2.564 -26.350 -1.325 1.00 0.00 H ATOM 583 HH11 ARG A 66 3.183 -25.990 -2.978 1.00 0.00 H ATOM 584 HH22 ARG A 66 0.889 -27.937 -1.036 1.00 0.00 H ATOM 585 HH21 ARG A 66 0.219 -28.797 -2.470 1.00 0.00 H ATOM 586 H ARG A 66 2.031 -24.861 -8.300 1.00 0.00 H ATOM 587 N MET A 67 -1.287 -24.906 -8.799 1.00 53.53 N ATOM 588 CA MET A 67 -2.684 -24.516 -8.913 1.00 50.21 C ATOM 589 C MET A 67 -3.194 -24.706 -10.337 1.00 49.84 C ATOM 590 O MET A 67 -4.412 -24.573 -10.572 1.00 43.75 O ATOM 591 CB MET A 67 -2.871 -23.047 -8.539 1.00 48.70 C ATOM 592 CG MET A 67 -2.627 -22.762 -7.077 1.00 46.15 C ATOM 593 SD MET A 67 -3.014 -21.106 -6.513 1.00 47.09 S ATOM 594 CE MET A 67 -1.974 -19.958 -7.417 1.00 42.39 C ATOM 595 H MET A 67 -0.545 -24.193 -8.948 1.00 0.00 H ATOM 596 N THR A 68 -2.294 -24.999 -11.283 1.00 51.46 N ATOM 597 CA THR A 68 -2.667 -24.854 -12.705 1.00 55.90 C ATOM 598 C THR A 68 -3.726 -25.857 -13.142 1.00 53.42 C ATOM 599 O THR A 68 -4.595 -25.502 -13.917 1.00 52.22 O ATOM 600 CB THR A 68 -1.504 -24.954 -13.715 1.00 56.40 C ATOM 601 OG1 THR A 68 -0.973 -26.261 -13.661 1.00 61.27 O ATOM 602 CG2 THR A 68 -0.437 -23.972 -13.446 1.00 57.25 C ATOM 603 HG1 THR A 68 -0.643 -26.444 -12.746 1.00 0.00 H ATOM 604 H THR A 68 -1.342 -25.325 -11.020 1.00 0.00 H ATOM 605 N GLU A 69 -3.679 -27.069 -12.601 1.00 53.60 N ATOM 606 CA GLU A 69 -4.723 -28.056 -12.892 1.00 56.74 C ATOM 607 C GLU A 69 -6.116 -27.588 -12.514 1.00 50.62 C ATOM 608 O GLU A 69 -7.043 -27.663 -13.297 1.00 50.00 O ATOM 609 CB GLU A 69 -4.454 -29.361 -12.162 1.00 64.41 C ATOM 610 CG GLU A 69 -5.126 -30.552 -12.829 1.00 74.04 C ATOM 611 CD GLU A 69 -4.824 -31.892 -12.156 1.00 80.75 C ATOM 612 OE1 GLU A 69 -3.985 -31.991 -11.232 1.00 81.33 O ATOM 613 OE2 GLU A 69 -5.459 -32.874 -12.560 1.00 93.02 O ATOM 614 H GLU A 69 -2.895 -27.320 -11.966 1.00 0.00 H ATOM 615 N THR A 70 -6.282 -27.096 -11.299 1.00 46.99 N ATOM 616 CA THR A 70 -7.536 -26.515 -10.952 1.00 43.85 C ATOM 617 C THR A 70 -7.888 -25.303 -11.852 1.00 42.19 C ATOM 618 O THR A 70 -9.031 -25.108 -12.221 1.00 42.22 O ATOM 619 CB THR A 70 -7.503 -26.094 -9.502 1.00 41.71 C ATOM 620 OG1 THR A 70 -7.424 -27.256 -8.700 1.00 42.08 O ATOM 621 CG2 THR A 70 -8.691 -25.321 -9.148 1.00 40.78 C ATOM 622 HG1 THR A 70 -7.402 -26.996 -7.745 1.00 0.00 H ATOM 623 H THR A 70 -5.508 -27.132 -10.605 1.00 0.00 H ATOM 624 N ALA A 71 -6.914 -24.455 -12.135 1.00 42.23 N ATOM 625 CA ALA A 71 -7.160 -23.269 -12.986 1.00 42.53 C ATOM 626 C ALA A 71 -7.721 -23.654 -14.365 1.00 42.92 C ATOM 627 O ALA A 71 -8.672 -22.994 -14.852 1.00 40.83 O ATOM 628 CB ALA A 71 -5.876 -22.456 -13.139 1.00 42.23 C ATOM 629 H ALA A 71 -5.961 -24.624 -11.754 1.00 0.00 H ATOM 630 N VAL A 72 -7.164 -24.728 -14.952 1.00 46.95 N ATOM 631 CA VAL A 72 -7.580 -25.223 -16.297 1.00 49.34 C ATOM 632 C VAL A 72 -9.057 -25.632 -16.143 1.00 51.56 C ATOM 633 O VAL A 72 -9.923 -25.246 -16.940 1.00 53.28 O ATOM 634 CB VAL A 72 -6.628 -26.365 -16.804 1.00 54.23 C ATOM 635 CG1 VAL A 72 -7.147 -27.170 -17.986 1.00 54.98 C ATOM 636 CG2 VAL A 72 -5.269 -25.816 -17.230 1.00 56.48 C ATOM 637 H VAL A 72 -6.410 -25.236 -14.447 1.00 0.00 H ATOM 638 N ARG A 73 -9.374 -26.311 -15.052 1.00 50.68 N ATOM 639 CA ARG A 73 -10.741 -26.758 -14.791 1.00 53.25 C ATOM 640 C ARG A 73 -11.676 -25.565 -14.588 1.00 48.70 C ATOM 641 O ARG A 73 -12.743 -25.502 -15.178 1.00 46.60 O ATOM 642 CB ARG A 73 -10.730 -27.626 -13.551 1.00 56.44 C ATOM 643 CG ARG A 73 -11.737 -28.752 -13.500 1.00 68.58 C ATOM 644 CD ARG A 73 -11.170 -29.797 -12.525 1.00 77.44 C ATOM 645 NE ARG A 73 -12.202 -30.516 -11.782 1.00 84.55 N ATOM 646 CZ ARG A 73 -12.155 -30.804 -10.481 1.00 85.27 C ATOM 647 NH1 ARG A 73 -11.125 -30.424 -9.706 1.00 83.53 N ATOM 648 NH2 ARG A 73 -13.168 -31.475 -9.945 1.00 85.40 N ATOM 649 HE ARG A 73 -13.041 -30.829 -12.311 1.00 0.00 H ATOM 650 HH12 ARG A 73 -11.119 -30.665 -8.694 1.00 0.00 H ATOM 651 HH11 ARG A 73 -10.334 -29.889 -10.118 1.00 0.00 H ATOM 652 HH22 ARG A 73 -13.157 -31.713 -8.933 1.00 0.00 H ATOM 653 HH21 ARG A 73 -13.973 -31.763 -10.538 1.00 0.00 H ATOM 654 H ARG A 73 -8.629 -26.533 -14.361 1.00 0.00 H ATOM 655 N ALA A 74 -11.278 -24.617 -13.728 1.00 45.47 N ATOM 656 CA ALA A 74 -12.110 -23.450 -13.470 1.00 42.41 C ATOM 657 C ALA A 74 -12.402 -22.574 -14.708 1.00 42.97 C ATOM 658 O ALA A 74 -13.418 -21.827 -14.729 1.00 39.80 O ATOM 659 CB ALA A 74 -11.514 -22.593 -12.410 1.00 40.69 C ATOM 660 H ALA A 74 -10.365 -24.716 -13.240 1.00 0.00 H ATOM 661 N ALA A 75 -11.547 -22.670 -15.729 1.00 43.02 N ATOM 662 CA ALA A 75 -11.661 -21.819 -16.913 1.00 43.75 C ATOM 663 C ALA A 75 -12.527 -22.414 -18.000 1.00 46.99 C ATOM 664 O ALA A 75 -12.717 -21.796 -19.012 1.00 46.00 O ATOM 665 CB ALA A 75 -10.272 -21.528 -17.471 1.00 46.24 C ATOM 666 H ALA A 75 -10.779 -23.369 -15.681 1.00 0.00 H ATOM 667 N ARG A 76 -13.020 -23.634 -17.829 1.00 48.52 N ATOM 668 CA ARG A 76 -13.900 -24.240 -18.832 1.00 49.61 C ATOM 669 C ARG A 76 -15.283 -23.592 -18.807 1.00 46.68 C ATOM 670 O ARG A 76 -15.622 -22.827 -17.921 1.00 41.90 O ATOM 671 CB ARG A 76 -14.019 -25.747 -18.549 1.00 53.22 C ATOM 672 CG ARG A 76 -12.681 -26.494 -18.507 1.00 57.55 C ATOM 673 CD ARG A 76 -12.800 -28.002 -18.703 1.00 61.93 C ATOM 674 NE ARG A 76 -13.119 -28.296 -20.112 1.00 67.22 N ATOM 675 CZ ARG A 76 -13.572 -29.463 -20.596 1.00 74.11 C ATOM 676 NH1 ARG A 76 -13.767 -30.511 -19.796 1.00 74.77 N ATOM 677 NH2 ARG A 76 -13.821 -29.590 -21.914 1.00 77.40 N ATOM 678 HE ARG A 76 -12.980 -27.525 -20.796 1.00 0.00 H ATOM 679 HH12 ARG A 76 -14.119 -31.407 -20.189 1.00 0.00 H ATOM 680 HH11 ARG A 76 -13.568 -30.433 -18.778 1.00 0.00 H ATOM 681 HH22 ARG A 76 -14.172 -30.493 -22.292 1.00 0.00 H ATOM 682 HH21 ARG A 76 -13.662 -28.785 -22.553 1.00 0.00 H ATOM 683 H ARG A 76 -12.778 -24.168 -16.970 1.00 0.00 H ATOM 684 N LYS A 77 -16.120 -23.898 -19.757 1.00 49.07 N ATOM 685 CA LYS A 77 -17.457 -23.378 -19.733 1.00 51.23 C ATOM 686 C LYS A 77 -18.140 -23.790 -18.432 1.00 53.14 C ATOM 687 O LYS A 77 -17.773 -24.804 -17.818 1.00 49.48 O ATOM 688 CB LYS A 77 -18.280 -23.938 -20.878 1.00 57.04 C ATOM 689 CG LYS A 77 -18.035 -23.245 -22.200 1.00 61.72 C ATOM 690 CD LYS A 77 -18.550 -24.084 -23.374 1.00 68.00 C ATOM 691 CE LYS A 77 -18.123 -25.556 -23.276 1.00 70.90 C ATOM 692 NZ LYS A 77 -18.534 -26.374 -24.422 1.00 74.97 N ATOM 693 HZ1 LYS A 77 -19.571 -26.359 -24.503 1.00 0.00 H ATOM 694 HZ2 LYS A 77 -18.112 -25.988 -25.291 1.00 0.00 H ATOM 695 HZ3 LYS A 77 -18.210 -27.352 -24.282 1.00 0.00 H ATOM 696 H LYS A 77 -15.819 -24.520 -20.534 1.00 0.00 H ATOM 697 N PRO A 78 -19.164 -23.030 -18.039 1.00 55.71 N ATOM 698 CA PRO A 78 -19.956 -23.423 -16.823 1.00 59.94 C ATOM 699 C PRO A 78 -20.418 -24.921 -16.842 1.00 61.59 C ATOM 700 O PRO A 78 -20.106 -25.688 -15.925 1.00 59.44 O ATOM 701 CB PRO A 78 -21.137 -22.435 -16.850 1.00 57.72 C ATOM 702 CG PRO A 78 -20.632 -21.241 -17.661 1.00 58.61 C ATOM 703 CD PRO A 78 -19.729 -21.844 -18.731 1.00 54.81 C ATOM 704 N ALA A 79 -21.011 -25.373 -17.948 1.00 64.20 N ATOM 705 CA ALA A 79 -21.479 -26.745 -18.018 1.00 63.42 C ATOM 706 C ALA A 79 -20.360 -27.771 -17.891 1.00 66.85 C ATOM 707 O ALA A 79 -20.641 -28.915 -17.626 1.00 71.33 O ATOM 708 CB ALA A 79 -22.248 -26.965 -19.290 1.00 68.27 C ATOM 709 H ALA A 79 -21.138 -24.740 -18.763 1.00 0.00 H ATOM 710 N LYS A 80 -19.094 -27.396 -18.039 1.00 63.48 N ATOM 711 CA LYS A 80 -18.007 -28.374 -17.948 1.00 62.26 C ATOM 712 C LYS A 80 -17.117 -28.219 -16.690 1.00 59.88 C ATOM 713 O LYS A 80 -16.010 -28.761 -16.624 1.00 62.35 O ATOM 714 CB LYS A 80 -17.149 -28.277 -19.191 1.00 65.76 C ATOM 715 CG LYS A 80 -17.784 -28.896 -20.425 1.00 69.74 C ATOM 716 CD LYS A 80 -17.635 -30.405 -20.392 1.00 74.19 C ATOM 717 CE LYS A 80 -18.177 -31.087 -21.655 1.00 82.36 C ATOM 718 NZ LYS A 80 -19.637 -30.804 -21.813 1.00 82.70 N ATOM 719 HZ1 LYS A 80 -20.151 -31.166 -20.984 1.00 0.00 H ATOM 720 HZ2 LYS A 80 -19.783 -29.777 -21.892 1.00 0.00 H ATOM 721 HZ3 LYS A 80 -19.989 -31.273 -22.672 1.00 0.00 H ATOM 722 H LYS A 80 -18.872 -26.396 -18.222 1.00 0.00 H ATOM 723 N GLY A 81 -17.628 -27.536 -15.680 1.00 53.15 N ATOM 724 CA GLY A 81 -16.927 -27.412 -14.423 1.00 52.69 C ATOM 725 C GLY A 81 -16.324 -26.026 -14.234 1.00 47.58 C ATOM 726 O GLY A 81 -15.475 -25.820 -13.356 1.00 47.99 O ATOM 727 H GLY A 81 -18.555 -27.078 -15.793 1.00 0.00 H ATOM 728 N GLY A 82 -16.731 -25.077 -15.071 1.00 47.25 N ATOM 729 CA GLY A 82 -16.214 -23.708 -14.967 1.00 45.58 C ATOM 730 C GLY A 82 -16.596 -23.015 -13.662 1.00 42.14 C ATOM 731 O GLY A 82 -17.709 -23.106 -13.227 1.00 47.87 O ATOM 732 H GLY A 82 -17.426 -25.308 -15.810 1.00 0.00 H ATOM 733 N ALA A 83 -15.669 -22.238 -13.115 1.00 40.96 N ATOM 734 CA ALA A 83 -15.875 -21.429 -11.923 1.00 39.22 C ATOM 735 C ALA A 83 -15.245 -20.067 -12.111 1.00 37.19 C ATOM 736 O ALA A 83 -14.131 -19.831 -11.667 1.00 36.69 O ATOM 737 CB ALA A 83 -15.250 -22.113 -10.741 1.00 39.27 C ATOM 738 H ALA A 83 -14.734 -22.205 -13.568 1.00 0.00 H ATOM 739 N PRO A 84 -15.961 -19.167 -12.756 1.00 40.30 N ATOM 740 CA PRO A 84 -15.405 -17.877 -13.079 1.00 37.28 C ATOM 741 C PRO A 84 -15.270 -17.016 -11.840 1.00 33.69 C ATOM 742 O PRO A 84 -14.542 -16.061 -11.916 1.00 33.48 O ATOM 743 CB PRO A 84 -16.444 -17.293 -14.036 1.00 40.51 C ATOM 744 CG PRO A 84 -17.712 -17.958 -13.588 1.00 41.81 C ATOM 745 CD PRO A 84 -17.314 -19.345 -13.343 1.00 42.25 C ATOM 746 N ASN A 85 -15.927 -17.370 -10.700 1.00 30.23 N ATOM 747 CA ASN A 85 -15.763 -16.683 -9.425 1.00 27.76 C ATOM 748 C ASN A 85 -14.464 -17.046 -8.628 1.00 29.33 C ATOM 749 O ASN A 85 -14.278 -16.542 -7.483 1.00 28.10 O ATOM 750 CB ASN A 85 -17.017 -16.839 -8.526 1.00 26.77 C ATOM 751 CG ASN A 85 -17.333 -18.326 -8.257 1.00 27.84 C ATOM 752 OD1 ASN A 85 -17.002 -19.166 -9.031 1.00 28.66 O ATOM 753 ND2 ASN A 85 -17.882 -18.610 -7.167 1.00 31.46 N ATOM 754 HD22 ASN A 85 -18.160 -17.852 -6.512 1.00 0.00 H ATOM 755 HD21 ASN A 85 -18.060 -19.604 -6.918 1.00 0.00 H ATOM 756 H ASN A 85 -16.583 -18.176 -10.742 1.00 0.00 H ATOM 757 N LEU A 86 -13.638 -17.943 -9.170 1.00 28.53 N ATOM 758 CA LEU A 86 -12.378 -18.378 -8.569 1.00 27.98 C ATOM 759 C LEU A 86 -11.262 -17.633 -9.182 1.00 28.55 C ATOM 760 O LEU A 86 -11.103 -17.655 -10.412 1.00 32.34 O ATOM 761 CB LEU A 86 -12.201 -19.907 -8.802 1.00 28.84 C ATOM 762 CG LEU A 86 -10.919 -20.486 -8.255 1.00 30.88 C ATOM 763 CD1 LEU A 86 -10.923 -20.446 -6.729 1.00 31.68 C ATOM 764 CD2 LEU A 86 -10.659 -21.898 -8.756 1.00 35.00 C ATOM 765 H LEU A 86 -13.909 -18.361 -10.083 1.00 0.00 H ATOM 766 N VAL A 87 -10.512 -16.904 -8.393 1.00 29.14 N ATOM 767 CA VAL A 87 -9.380 -16.118 -8.879 1.00 29.85 C ATOM 768 C VAL A 87 -8.172 -16.650 -8.143 1.00 30.82 C ATOM 769 O VAL A 87 -8.138 -16.688 -6.903 1.00 30.32 O ATOM 770 CB VAL A 87 -9.585 -14.660 -8.545 1.00 33.93 C ATOM 771 CG1 VAL A 87 -8.417 -13.818 -9.007 1.00 33.60 C ATOM 772 CG2 VAL A 87 -10.900 -14.153 -9.142 1.00 37.26 C ATOM 773 H VAL A 87 -10.732 -16.884 -7.377 1.00 0.00 H ATOM 774 N LEU A 88 -7.188 -17.109 -8.866 1.00 29.72 N ATOM 775 CA LEU A 88 -5.973 -17.631 -8.216 1.00 32.35 C ATOM 776 C LEU A 88 -4.816 -16.727 -8.473 1.00 35.07 C ATOM 777 O LEU A 88 -4.416 -16.523 -9.642 1.00 35.15 O ATOM 778 CB LEU A 88 -5.685 -19.019 -8.769 1.00 33.11 C ATOM 779 CG LEU A 88 -6.897 -19.963 -8.672 1.00 31.95 C ATOM 780 CD1 LEU A 88 -6.758 -21.253 -9.435 1.00 34.67 C ATOM 781 CD2 LEU A 88 -7.102 -20.286 -7.207 1.00 32.08 C ATOM 782 H LEU A 88 -7.261 -17.107 -9.903 1.00 0.00 H ATOM 783 N VAL A 89 -4.213 -16.310 -7.385 1.00 33.52 N ATOM 784 CA VAL A 89 -3.188 -15.308 -7.369 1.00 38.32 C ATOM 785 C VAL A 89 -1.839 -15.859 -6.920 1.00 40.49 C ATOM 786 O VAL A 89 -1.705 -16.550 -5.875 1.00 36.72 O ATOM 787 CB VAL A 89 -3.582 -14.201 -6.396 1.00 37.40 C ATOM 788 CG1 VAL A 89 -2.484 -13.126 -6.295 1.00 42.86 C ATOM 789 CG2 VAL A 89 -4.881 -13.606 -6.899 1.00 37.42 C ATOM 790 H VAL A 89 -4.496 -16.733 -6.478 1.00 0.00 H ATOM 791 N SER A 90 -0.836 -15.595 -7.752 1.00 43.16 N ATOM 792 CA SER A 90 0.524 -15.967 -7.440 1.00 48.00 C ATOM 793 C SER A 90 1.120 -14.926 -6.500 1.00 46.41 C ATOM 794 O SER A 90 1.412 -13.834 -6.927 1.00 43.37 O ATOM 795 CB SER A 90 1.366 -15.958 -8.695 1.00 52.30 C ATOM 796 OG SER A 90 2.599 -16.450 -8.300 1.00 58.14 O ATOM 797 HG SER A 90 3.209 -16.473 -9.079 1.00 0.00 H ATOM 798 H SER A 90 -1.036 -15.109 -8.649 1.00 0.00 H ATOM 799 N SER A 91 1.228 -15.243 -5.218 1.00 45.46 N ATOM 800 CA SER A 91 1.895 -14.341 -4.278 1.00 45.38 C ATOM 801 C SER A 91 2.085 -15.019 -2.931 1.00 42.58 C ATOM 802 O SER A 91 1.397 -15.958 -2.577 1.00 38.71 O ATOM 803 CB SER A 91 1.087 -13.069 -4.108 1.00 46.35 C ATOM 804 OG SER A 91 1.547 -12.372 -2.998 1.00 51.01 O ATOM 805 HG SER A 91 1.448 -12.937 -2.191 1.00 0.00 H ATOM 806 H SER A 91 0.834 -16.143 -4.876 1.00 0.00 H ATOM 807 N ALA A 92 3.061 -14.540 -2.192 1.00 43.80 N ATOM 808 CA ALA A 92 3.307 -14.972 -0.834 1.00 43.10 C ATOM 809 C ALA A 92 2.502 -14.022 0.030 1.00 42.35 C ATOM 810 O ALA A 92 2.361 -12.846 -0.329 1.00 41.64 O ATOM 811 CB ALA A 92 4.801 -14.855 -0.545 1.00 44.61 C ATOM 812 H ALA A 92 3.685 -13.817 -2.603 1.00 0.00 H ATOM 813 N ILE A 93 1.993 -14.483 1.170 1.00 44.27 N ATOM 814 CA ILE A 93 1.129 -13.596 2.009 1.00 43.16 C ATOM 815 C ILE A 93 1.909 -12.457 2.637 1.00 46.60 C ATOM 816 O ILE A 93 1.410 -11.389 2.855 1.00 41.92 O ATOM 817 CB ILE A 93 0.368 -14.390 3.116 1.00 43.13 C ATOM 818 CG1 ILE A 93 -0.742 -13.545 3.757 1.00 40.00 C ATOM 819 CG2 ILE A 93 1.342 -14.855 4.171 1.00 40.54 C ATOM 820 CD1 ILE A 93 -1.779 -13.033 2.777 1.00 48.85 C ATOM 821 H ILE A 93 2.195 -15.456 1.476 1.00 0.00 H ATOM 822 N GLU A 94 3.167 -12.685 2.931 1.00 50.80 N ATOM 823 CA GLU A 94 3.960 -11.639 3.551 1.00 54.59 C ATOM 824 C GLU A 94 4.327 -10.471 2.595 1.00 53.68 C ATOM 825 O GLU A 94 4.596 -9.404 3.032 1.00 54.28 O ATOM 826 CB GLU A 94 5.212 -12.251 4.256 1.00 59.73 C ATOM 827 CG GLU A 94 6.279 -12.847 3.332 1.00 62.72 C ATOM 828 CD GLU A 94 6.093 -14.329 2.984 1.00 64.37 C ATOM 829 OE1 GLU A 94 4.966 -14.876 3.106 1.00 58.89 O ATOM 830 OE2 GLU A 94 7.098 -14.935 2.542 1.00 68.83 O ATOM 831 H GLU A 94 3.594 -13.610 2.721 1.00 0.00 H ATOM 832 N THR A 95 4.276 -10.658 1.299 1.00 55.85 N ATOM 833 CA THR A 95 4.483 -9.568 0.372 1.00 60.66 C ATOM 834 C THR A 95 3.252 -9.411 -0.546 1.00 60.86 C ATOM 835 O THR A 95 3.337 -9.329 -1.759 1.00 58.08 O ATOM 836 CB THR A 95 5.734 -9.856 -0.468 1.00 62.76 C ATOM 837 OG1 THR A 95 5.568 -11.149 -1.044 1.00 57.56 O ATOM 838 CG2 THR A 95 6.993 -9.845 0.420 1.00 66.01 C ATOM 839 HG1 THR A 95 4.758 -11.154 -1.613 1.00 0.00 H ATOM 840 H THR A 95 4.083 -11.611 0.929 1.00 0.00 H ATOM 841 N VAL A 96 2.094 -9.350 0.056 1.00 60.48 N ATOM 842 CA VAL A 96 0.858 -9.320 -0.712 1.00 65.78 C ATOM 843 C VAL A 96 0.651 -7.976 -1.465 1.00 59.77 C ATOM 844 O VAL A 96 0.765 -6.881 -0.893 1.00 57.76 O ATOM 845 CB VAL A 96 -0.300 -9.734 0.245 1.00 71.91 C ATOM 846 CG1 VAL A 96 -0.566 -8.668 1.312 1.00 73.67 C ATOM 847 CG2 VAL A 96 -1.532 -10.122 -0.541 1.00 72.75 C ATOM 848 H VAL A 96 2.055 -9.323 1.095 1.00 0.00 H ATOM 849 N PRO A 97 0.407 -8.040 -2.774 1.00 55.50 N ATOM 850 CA PRO A 97 0.303 -6.759 -3.530 1.00 52.63 C ATOM 851 C PRO A 97 -0.854 -5.877 -3.078 1.00 49.84 C ATOM 852 O PRO A 97 -1.825 -6.358 -2.500 1.00 47.52 O ATOM 853 CB PRO A 97 0.061 -7.202 -4.971 1.00 52.59 C ATOM 854 CG PRO A 97 -0.366 -8.625 -4.909 1.00 52.77 C ATOM 855 CD PRO A 97 0.052 -9.213 -3.587 1.00 52.68 C ATOM 856 N ALA A 98 -0.758 -4.589 -3.389 1.00 53.46 N ATOM 857 CA ALA A 98 -1.671 -3.583 -2.848 1.00 50.34 C ATOM 858 C ALA A 98 -3.115 -3.848 -3.255 1.00 48.98 C ATOM 859 O ALA A 98 -4.053 -3.492 -2.525 1.00 51.57 O ATOM 860 CB ALA A 98 -1.241 -2.191 -3.272 1.00 51.73 C ATOM 861 H ALA A 98 -0.007 -4.285 -4.041 1.00 0.00 H ATOM 862 N ALA A 99 -3.314 -4.506 -4.389 1.00 43.07 N ATOM 863 CA ALA A 99 -4.656 -4.688 -4.907 1.00 39.49 C ATOM 864 C ALA A 99 -5.450 -5.700 -4.125 1.00 40.20 C ATOM 865 O ALA A 99 -6.670 -5.767 -4.301 1.00 38.02 O ATOM 866 CB ALA A 99 -4.603 -5.069 -6.366 1.00 41.21 C ATOM 867 H ALA A 99 -2.502 -4.894 -4.910 1.00 0.00 H ATOM 868 N LEU A 100 -4.771 -6.454 -3.243 1.00 38.18 N ATOM 869 CA LEU A 100 -5.405 -7.387 -2.366 1.00 38.67 C ATOM 870 C LEU A 100 -5.632 -6.783 -0.969 1.00 37.78 C ATOM 871 O LEU A 100 -6.250 -7.439 -0.109 1.00 36.32 O ATOM 872 CB LEU A 100 -4.544 -8.651 -2.236 1.00 41.27 C ATOM 873 CG LEU A 100 -4.800 -9.773 -3.194 1.00 46.19 C ATOM 874 CD1 LEU A 100 -3.860 -10.925 -2.908 1.00 49.86 C ATOM 875 CD2 LEU A 100 -6.249 -10.216 -3.079 1.00 51.22 C ATOM 876 H LEU A 100 -3.737 -6.354 -3.197 1.00 0.00 H ATOM 877 N HIS A 101 -5.176 -5.554 -0.732 1.00 36.06 N ATOM 878 CA HIS A 101 -5.367 -4.917 0.567 1.00 40.30 C ATOM 879 C HIS A 101 -6.789 -4.603 0.848 1.00 39.51 C ATOM 880 O HIS A 101 -7.452 -4.012 0.015 1.00 37.20 O ATOM 881 CB HIS A 101 -4.549 -3.631 0.750 1.00 44.99 C ATOM 882 CG HIS A 101 -3.103 -3.901 0.960 1.00 51.81 C ATOM 883 ND1 HIS A 101 -2.251 -3.008 1.562 1.00 64.75 N ATOM 884 CD2 HIS A 101 -2.353 -4.989 0.651 1.00 55.38 C ATOM 885 CE1 HIS A 101 -1.031 -3.519 1.589 1.00 63.50 C ATOM 886 NE2 HIS A 101 -1.065 -4.712 1.022 1.00 56.84 N ATOM 887 H HIS A 101 -4.676 -5.040 -1.485 1.00 0.00 H ATOM 888 N GLY A 102 -7.252 -5.012 2.039 1.00 35.80 N ATOM 889 CA GLY A 102 -8.589 -4.696 2.477 1.00 34.40 C ATOM 890 C GLY A 102 -9.722 -5.325 1.692 1.00 34.79 C ATOM 891 O GLY A 102 -10.834 -4.843 1.774 1.00 37.05 O ATOM 892 H GLY A 102 -6.632 -5.570 2.661 1.00 0.00 H ATOM 893 N VAL A 103 -9.501 -6.413 0.959 1.00 31.58 N ATOM 894 CA VAL A 103 -10.584 -6.928 0.129 1.00 33.61 C ATOM 895 C VAL A 103 -11.486 -7.929 0.801 1.00 30.15 C ATOM 896 O VAL A 103 -12.598 -8.089 0.358 1.00 31.01 O ATOM 897 CB VAL A 103 -10.102 -7.568 -1.219 1.00 34.70 C ATOM 898 CG1 VAL A 103 -9.205 -6.589 -1.979 1.00 35.55 C ATOM 899 CG2 VAL A 103 -9.356 -8.912 -1.035 1.00 34.32 C ATOM 900 H VAL A 103 -8.575 -6.886 0.977 1.00 0.00 H ATOM 901 N ALA A 104 -11.004 -8.628 1.824 1.00 26.58 N ATOM 902 CA ALA A 104 -11.625 -9.866 2.216 1.00 26.27 C ATOM 903 C ALA A 104 -12.681 -9.657 3.320 1.00 27.70 C ATOM 904 O ALA A 104 -12.413 -8.981 4.313 1.00 28.95 O ATOM 905 CB ALA A 104 -10.586 -10.875 2.659 1.00 24.42 C ATOM 906 H ALA A 104 -10.174 -8.278 2.344 1.00 0.00 H ATOM 907 N ASP A 105 -13.838 -10.289 3.127 1.00 26.97 N ATOM 908 CA ASP A 105 -14.783 -10.511 4.167 1.00 28.89 C ATOM 909 C ASP A 105 -14.398 -11.680 5.083 1.00 29.52 C ATOM 910 O ASP A 105 -14.949 -11.787 6.146 1.00 30.11 O ATOM 911 CB ASP A 105 -16.164 -10.804 3.601 1.00 31.49 C ATOM 912 CG ASP A 105 -16.748 -9.592 2.782 1.00 38.89 C ATOM 913 OD1 ASP A 105 -16.976 -8.498 3.373 1.00 47.03 O ATOM 914 OD2 ASP A 105 -16.930 -9.743 1.561 1.00 34.58 O ATOM 915 H ASP A 105 -14.060 -10.636 2.172 1.00 0.00 H ATOM 916 N GLU A 106 -13.545 -12.588 4.639 1.00 31.15 N ATOM 917 CA GLU A 106 -13.154 -13.758 5.430 1.00 30.78 C ATOM 918 C GLU A 106 -11.807 -14.206 4.890 1.00 28.13 C ATOM 919 O GLU A 106 -11.590 -14.117 3.681 1.00 25.90 O ATOM 920 CB GLU A 106 -14.177 -14.823 5.244 1.00 34.75 C ATOM 921 CG GLU A 106 -13.999 -16.034 6.117 1.00 45.63 C ATOM 922 CD GLU A 106 -15.095 -17.077 5.861 1.00 60.10 C ATOM 923 OE1 GLU A 106 -16.182 -16.729 5.333 1.00 65.37 O ATOM 924 OE2 GLU A 106 -14.835 -18.269 6.113 1.00 75.56 O ATOM 925 H GLU A 106 -13.135 -12.467 3.691 1.00 0.00 H ATOM 926 N VAL A 107 -10.886 -14.571 5.771 1.00 25.98 N ATOM 927 CA VAL A 107 -9.498 -15.028 5.397 1.00 24.88 C ATOM 928 C VAL A 107 -9.392 -16.392 6.009 1.00 27.28 C ATOM 929 O VAL A 107 -9.704 -16.567 7.204 1.00 26.54 O ATOM 930 CB VAL A 107 -8.420 -14.155 5.924 1.00 27.80 C ATOM 931 CG1 VAL A 107 -7.072 -14.525 5.368 1.00 29.55 C ATOM 932 CG2 VAL A 107 -8.704 -12.677 5.573 1.00 31.82 C ATOM 933 H VAL A 107 -11.135 -14.540 6.780 1.00 0.00 H ATOM 934 N MET A 108 -9.017 -17.385 5.225 1.00 25.43 N ATOM 935 CA MET A 108 -8.923 -18.723 5.719 1.00 26.89 C ATOM 936 C MET A 108 -7.504 -19.125 5.509 1.00 28.00 C ATOM 937 O MET A 108 -6.963 -18.850 4.428 1.00 26.53 O ATOM 938 CB MET A 108 -9.806 -19.730 4.960 1.00 34.47 C ATOM 939 CG MET A 108 -11.282 -19.745 5.350 1.00 48.98 C ATOM 940 SD MET A 108 -12.273 -20.738 4.193 1.00 69.71 S ATOM 941 CE MET A 108 -13.755 -21.127 5.147 1.00 69.79 C ATOM 942 H MET A 108 -8.786 -17.191 4.230 1.00 0.00 H ATOM 943 N VAL A 109 -6.935 -19.875 6.487 1.00 26.02 N ATOM 944 CA VAL A 109 -5.669 -20.521 6.385 1.00 26.08 C ATOM 945 C VAL A 109 -5.924 -21.968 6.814 1.00 30.28 C ATOM 946 O VAL A 109 -5.982 -22.295 8.040 1.00 27.82 O ATOM 947 CB VAL A 109 -4.646 -19.857 7.299 1.00 26.93 C ATOM 948 CG1 VAL A 109 -3.322 -20.574 7.162 1.00 27.10 C ATOM 949 CG2 VAL A 109 -4.463 -18.394 6.961 1.00 28.89 C ATOM 950 H VAL A 109 -7.462 -19.986 7.377 1.00 0.00 H ATOM 951 N LEU A 110 -6.146 -22.825 5.849 1.00 30.01 N ATOM 952 CA LEU A 110 -6.528 -24.210 6.119 1.00 33.71 C ATOM 953 C LEU A 110 -5.326 -25.152 5.923 1.00 30.97 C ATOM 954 O LEU A 110 -4.758 -25.230 4.816 1.00 26.08 O ATOM 955 CB LEU A 110 -7.662 -24.629 5.161 1.00 42.91 C ATOM 956 CG LEU A 110 -9.136 -24.393 5.527 1.00 61.90 C ATOM 957 CD1 LEU A 110 -9.403 -23.109 6.344 1.00 61.85 C ATOM 958 CD2 LEU A 110 -10.010 -24.457 4.259 1.00 69.31 C ATOM 959 H LEU A 110 -6.048 -22.511 4.862 1.00 0.00 H ATOM 960 N MET A 111 -4.972 -25.924 6.963 1.00 31.37 N ATOM 961 CA MET A 111 -3.817 -26.841 6.903 1.00 34.02 C ATOM 962 C MET A 111 -2.587 -26.247 6.213 1.00 31.62 C ATOM 963 O MET A 111 -2.054 -26.832 5.278 1.00 30.87 O ATOM 964 CB MET A 111 -4.209 -28.139 6.154 1.00 37.56 C ATOM 965 CG MET A 111 -5.577 -28.680 6.544 1.00 44.34 C ATOM 966 SD MET A 111 -5.527 -29.155 8.298 1.00 57.86 S ATOM 967 CE MET A 111 -7.255 -29.586 8.559 1.00 62.38 C ATOM 968 H MET A 111 -5.530 -25.874 7.839 1.00 0.00 H ATOM 969 N PRO A 112 -2.064 -25.116 6.724 1.00 29.23 N ATOM 970 CA PRO A 112 -0.859 -24.638 6.133 1.00 27.37 C ATOM 971 C PRO A 112 0.390 -25.512 6.301 1.00 33.28 C ATOM 972 O PRO A 112 0.518 -26.266 7.199 1.00 34.60 O ATOM 973 CB PRO A 112 -0.616 -23.308 6.876 1.00 27.74 C ATOM 974 CG PRO A 112 -1.171 -23.569 8.253 1.00 27.92 C ATOM 975 CD PRO A 112 -2.360 -24.454 8.005 1.00 28.16 C ATOM 976 N TRP A 113 1.363 -25.283 5.445 1.00 36.95 N ATOM 977 CA TRP A 113 2.710 -25.671 5.720 1.00 39.19 C ATOM 978 C TRP A 113 3.703 -24.589 5.368 1.00 35.95 C ATOM 979 O TRP A 113 3.318 -23.482 5.018 1.00 35.97 O ATOM 980 CB TRP A 113 3.068 -27.032 5.151 1.00 49.56 C ATOM 981 CG TRP A 113 2.668 -27.497 3.826 1.00 58.31 C ATOM 982 CD1 TRP A 113 1.642 -28.369 3.544 1.00 62.93 C ATOM 983 CD2 TRP A 113 3.433 -27.357 2.603 1.00 67.58 C ATOM 984 NE1 TRP A 113 1.693 -28.727 2.195 1.00 67.75 N ATOM 985 CE2 TRP A 113 2.762 -28.105 1.599 1.00 66.22 C ATOM 986 CE3 TRP A 113 4.617 -26.647 2.255 1.00 74.10 C ATOM 987 CZ2 TRP A 113 3.211 -28.145 0.256 1.00 77.11 C ATOM 988 CZ3 TRP A 113 5.061 -26.673 0.904 1.00 76.29 C ATOM 989 CH2 TRP A 113 4.347 -27.416 -0.075 1.00 75.59 C ATOM 990 HE1 TRP A 113 1.025 -29.365 1.717 1.00 0.00 H ATOM 991 H TRP A 113 1.146 -24.808 4.546 1.00 0.00 H ATOM 992 N GLY A 114 4.974 -24.891 5.602 1.00 35.94 N ATOM 993 CA GLY A 114 6.069 -24.007 5.305 1.00 33.87 C ATOM 994 C GLY A 114 6.022 -22.743 6.121 1.00 31.09 C ATOM 995 O GLY A 114 5.621 -22.729 7.275 1.00 28.88 O ATOM 996 H GLY A 114 5.190 -25.817 6.023 1.00 0.00 H ATOM 997 N LYS A 115 6.399 -21.659 5.477 1.00 32.12 N ATOM 998 CA LYS A 115 6.425 -20.358 6.114 1.00 32.85 C ATOM 999 C LYS A 115 5.079 -19.936 6.741 1.00 31.58 C ATOM 1000 O LYS A 115 5.049 -19.328 7.790 1.00 29.16 O ATOM 1001 CB LYS A 115 6.852 -19.390 5.076 1.00 35.56 C ATOM 1002 CG LYS A 115 6.847 -17.960 5.433 1.00 36.33 C ATOM 1003 CD LYS A 115 7.747 -17.623 6.512 1.00 39.34 C ATOM 1004 CE LYS A 115 8.428 -16.299 6.125 1.00 46.70 C ATOM 1005 NZ LYS A 115 9.340 -15.957 7.266 1.00 49.16 N ATOM 1006 HZ1 LYS A 115 8.780 -15.853 8.136 1.00 0.00 H ATOM 1007 HZ2 LYS A 115 10.038 -16.718 7.390 1.00 0.00 H ATOM 1008 HZ3 LYS A 115 9.832 -15.064 7.060 1.00 0.00 H ATOM 1009 H LYS A 115 6.687 -21.739 4.481 1.00 0.00 H ATOM 1010 N LEU A 116 3.985 -20.230 6.062 1.00 30.70 N ATOM 1011 CA LEU A 116 2.648 -19.889 6.527 1.00 28.75 C ATOM 1012 C LEU A 116 2.320 -20.580 7.847 1.00 29.90 C ATOM 1013 O LEU A 116 1.847 -19.914 8.788 1.00 30.83 O ATOM 1014 CB LEU A 116 1.647 -20.209 5.408 1.00 30.55 C ATOM 1015 CG LEU A 116 0.159 -19.820 5.684 1.00 35.11 C ATOM 1016 CD1 LEU A 116 -0.050 -18.321 5.912 1.00 35.94 C ATOM 1017 CD2 LEU A 116 -0.711 -20.260 4.519 1.00 35.74 C ATOM 1018 H LEU A 116 4.083 -20.728 5.154 1.00 0.00 H ATOM 1019 N LEU A 117 2.680 -21.882 7.962 1.00 29.59 N ATOM 1020 CA LEU A 117 2.454 -22.678 9.152 1.00 27.66 C ATOM 1021 C LEU A 117 3.350 -22.193 10.319 1.00 29.34 C ATOM 1022 O LEU A 117 2.880 -21.807 11.373 1.00 26.34 O ATOM 1023 CB LEU A 117 2.718 -24.209 8.869 1.00 28.91 C ATOM 1024 CG LEU A 117 2.775 -25.064 10.134 1.00 31.84 C ATOM 1025 CD1 LEU A 117 1.425 -25.000 10.770 1.00 29.15 C ATOM 1026 CD2 LEU A 117 3.166 -26.508 9.754 1.00 37.16 C ATOM 1027 H LEU A 117 3.145 -22.336 7.150 1.00 0.00 H ATOM 1028 N ARG A 118 4.642 -22.171 10.112 1.00 30.68 N ATOM 1029 CA ARG A 118 5.538 -21.595 11.130 1.00 30.78 C ATOM 1030 C ARG A 118 5.114 -20.154 11.524 1.00 32.58 C ATOM 1031 O ARG A 118 5.103 -19.793 12.705 1.00 28.17 O ATOM 1032 CB ARG A 118 6.969 -21.617 10.641 1.00 30.13 C ATOM 1033 CG ARG A 118 7.957 -21.385 11.794 1.00 29.36 C ATOM 1034 CD ARG A 118 9.336 -21.163 11.256 1.00 31.39 C ATOM 1035 NE ARG A 118 10.361 -21.008 12.271 1.00 30.61 N ATOM 1036 CZ ARG A 118 10.771 -21.905 13.136 1.00 33.59 C ATOM 1037 NH1 ARG A 118 10.305 -23.172 13.155 1.00 34.56 N ATOM 1038 NH2 ARG A 118 11.733 -21.559 13.986 1.00 35.01 N ATOM 1039 HE ARG A 118 10.824 -20.078 12.318 1.00 0.00 H ATOM 1040 HH12 ARG A 118 10.662 -23.847 13.861 1.00 0.00 H ATOM 1041 HH11 ARG A 118 9.589 -23.473 12.463 1.00 0.00 H ATOM 1042 HH22 ARG A 118 12.081 -22.246 14.685 1.00 0.00 H ATOM 1043 HH21 ARG A 118 12.137 -20.601 13.952 1.00 0.00 H ATOM 1044 H ARG A 118 5.035 -22.559 9.231 1.00 0.00 H ATOM 1045 N GLY A 119 4.722 -19.374 10.548 1.00 30.21 N ATOM 1046 CA GLY A 119 4.299 -18.021 10.807 1.00 34.13 C ATOM 1047 C GLY A 119 3.092 -17.941 11.725 1.00 31.77 C ATOM 1048 O GLY A 119 3.101 -17.179 12.674 1.00 33.59 O ATOM 1049 H GLY A 119 4.716 -19.736 9.573 1.00 0.00 H ATOM 1050 N VAL A 120 2.080 -18.743 11.461 1.00 31.54 N ATOM 1051 CA VAL A 120 0.951 -18.716 12.333 1.00 32.33 C ATOM 1052 C VAL A 120 1.187 -19.335 13.680 1.00 34.71 C ATOM 1053 O VAL A 120 0.655 -18.825 14.681 1.00 38.51 O ATOM 1054 CB VAL A 120 -0.384 -19.181 11.730 1.00 32.37 C ATOM 1055 CG1 VAL A 120 -0.712 -18.325 10.491 1.00 35.67 C ATOM 1056 CG2 VAL A 120 -0.481 -20.640 11.414 1.00 41.52 C ATOM 1057 H VAL A 120 2.104 -19.379 10.638 1.00 0.00 H ATOM 1058 N VAL A 121 2.010 -20.387 13.742 1.00 30.64 N ATOM 1059 CA VAL A 121 2.375 -20.966 15.024 1.00 31.60 C ATOM 1060 C VAL A 121 3.173 -20.070 15.944 1.00 36.31 C ATOM 1061 O VAL A 121 2.888 -19.977 17.154 1.00 34.24 O ATOM 1062 CB VAL A 121 3.107 -22.264 14.821 1.00 34.29 C ATOM 1063 CG1 VAL A 121 3.736 -22.728 16.113 1.00 35.65 C ATOM 1064 CG2 VAL A 121 2.114 -23.260 14.286 1.00 34.03 C ATOM 1065 H VAL A 121 2.392 -20.795 12.865 1.00 0.00 H ATOM 1066 N LEU A 122 4.161 -19.379 15.392 1.00 33.23 N ATOM 1067 CA LEU A 122 4.918 -18.447 16.157 1.00 35.49 C ATOM 1068 C LEU A 122 4.257 -17.102 16.302 1.00 33.71 C ATOM 1069 O LEU A 122 4.664 -16.234 17.137 1.00 34.13 O ATOM 1070 CB LEU A 122 6.289 -18.196 15.460 1.00 36.47 C ATOM 1071 CG LEU A 122 7.339 -19.270 15.668 1.00 41.85 C ATOM 1072 CD1 LEU A 122 8.600 -18.849 14.938 1.00 44.48 C ATOM 1073 CD2 LEU A 122 7.610 -19.417 17.172 1.00 44.73 C ATOM 1074 H LEU A 122 4.386 -19.520 14.386 1.00 0.00 H ATOM 1075 N GLY A 123 3.369 -16.806 15.400 1.00 33.56 N ATOM 1076 CA GLY A 123 2.905 -15.417 15.315 1.00 31.41 C ATOM 1077 C GLY A 123 3.978 -14.463 14.792 1.00 39.09 C ATOM 1078 O GLY A 123 4.220 -13.425 15.404 1.00 36.52 O ATOM 1079 H GLY A 123 2.998 -17.534 14.756 1.00 0.00 H ATOM 1080 N GLU A 124 4.634 -14.847 13.684 1.00 37.22 N ATOM 1081 CA GLU A 124 5.568 -13.996 12.981 1.00 39.21 C ATOM 1082 C GLU A 124 4.844 -12.793 12.356 1.00 36.36 C ATOM 1083 O GLU A 124 3.869 -12.945 11.571 1.00 32.69 O ATOM 1084 CB GLU A 124 6.278 -14.714 11.822 1.00 41.94 C ATOM 1085 CG GLU A 124 7.298 -15.812 12.126 1.00 52.42 C ATOM 1086 CD GLU A 124 7.803 -16.507 10.827 1.00 60.77 C ATOM 1087 OE1 GLU A 124 7.580 -15.960 9.711 1.00 76.38 O ATOM 1088 OE2 GLU A 124 8.409 -17.598 10.886 1.00 60.55 O ATOM 1089 H GLU A 124 4.461 -15.803 13.314 1.00 0.00 H ATOM 1090 N ALA A 125 5.432 -11.609 12.606 1.00 33.49 N ATOM 1091 CA ALA A 125 4.829 -10.352 12.250 1.00 33.09 C ATOM 1092 C ALA A 125 4.520 -10.215 10.738 1.00 34.56 C ATOM 1093 O ALA A 125 3.407 -9.789 10.360 1.00 32.34 O ATOM 1094 CB ALA A 125 5.740 -9.202 12.709 1.00 35.08 C ATOM 1095 H ALA A 125 6.360 -11.602 13.076 1.00 0.00 H ATOM 1096 N ASP A 126 5.463 -10.615 9.905 1.00 34.60 N ATOM 1097 CA ASP A 126 5.290 -10.472 8.491 1.00 39.59 C ATOM 1098 C ASP A 126 4.088 -11.302 7.954 1.00 37.47 C ATOM 1099 O ASP A 126 3.254 -10.809 7.125 1.00 37.94 O ATOM 1100 CB ASP A 126 6.600 -10.763 7.766 1.00 45.02 C ATOM 1101 CG ASP A 126 7.048 -12.247 7.839 1.00 55.38 C ATOM 1102 OD1 ASP A 126 6.689 -12.986 8.818 1.00 60.34 O ATOM 1103 OD2 ASP A 126 7.799 -12.674 6.898 1.00 63.53 O ATOM 1104 H ASP A 126 6.337 -11.037 10.278 1.00 0.00 H ATOM 1105 N VAL A 127 3.978 -12.555 8.412 1.00 34.47 N ATOM 1106 CA VAL A 127 2.815 -13.405 8.071 1.00 34.31 C ATOM 1107 C VAL A 127 1.483 -12.849 8.630 1.00 33.11 C ATOM 1108 O VAL A 127 0.558 -12.687 7.866 1.00 32.77 O ATOM 1109 CB VAL A 127 3.031 -14.841 8.574 1.00 34.30 C ATOM 1110 CG1 VAL A 127 1.769 -15.642 8.484 1.00 34.55 C ATOM 1111 CG2 VAL A 127 4.163 -15.464 7.790 1.00 37.10 C ATOM 1112 H VAL A 127 4.727 -12.940 9.022 1.00 0.00 H ATOM 1113 N LEU A 128 1.426 -12.523 9.930 1.00 32.95 N ATOM 1114 CA LEU A 128 0.232 -11.999 10.553 1.00 32.02 C ATOM 1115 C LEU A 128 -0.168 -10.643 10.018 1.00 29.78 C ATOM 1116 O LEU A 128 -1.346 -10.445 9.903 1.00 28.88 O ATOM 1117 CB LEU A 128 0.349 -11.889 12.071 1.00 31.57 C ATOM 1118 CG LEU A 128 0.701 -13.138 12.895 1.00 37.47 C ATOM 1119 CD1 LEU A 128 0.505 -12.871 14.386 1.00 35.46 C ATOM 1120 CD2 LEU A 128 -0.082 -14.333 12.446 1.00 32.99 C ATOM 1121 H LEU A 128 2.277 -12.653 10.514 1.00 0.00 H ATOM 1122 N SER A 129 0.795 -9.776 9.642 1.00 29.29 N ATOM 1123 CA SER A 129 0.524 -8.500 8.993 1.00 34.49 C ATOM 1124 C SER A 129 -0.045 -8.637 7.629 1.00 32.87 C ATOM 1125 O SER A 129 -0.913 -7.908 7.298 1.00 32.08 O ATOM 1126 CB SER A 129 1.783 -7.601 8.821 1.00 35.18 C ATOM 1127 OG SER A 129 2.009 -7.092 10.040 1.00 41.61 O ATOM 1128 HG SER A 129 2.169 -7.830 10.680 1.00 0.00 H ATOM 1129 H SER A 129 1.786 -10.033 9.826 1.00 0.00 H ATOM 1130 N GLY A 130 0.497 -9.570 6.863 1.00 34.47 N ATOM 1131 CA GLY A 130 -0.005 -9.856 5.553 1.00 32.96 C ATOM 1132 C GLY A 130 -1.420 -10.359 5.638 1.00 33.54 C ATOM 1133 O GLY A 130 -2.253 -9.962 4.843 1.00 34.30 O ATOM 1134 H GLY A 130 1.310 -10.110 7.222 1.00 0.00 H ATOM 1135 N LEU A 131 -1.704 -11.260 6.582 1.00 30.17 N ATOM 1136 CA LEU A 131 -3.027 -11.782 6.708 1.00 29.47 C ATOM 1137 C LEU A 131 -3.975 -10.649 7.059 1.00 31.20 C ATOM 1138 O LEU A 131 -5.105 -10.559 6.538 1.00 28.47 O ATOM 1139 CB LEU A 131 -3.048 -12.884 7.808 1.00 31.75 C ATOM 1140 CG LEU A 131 -2.441 -14.224 7.326 1.00 31.10 C ATOM 1141 CD1 LEU A 131 -2.353 -15.130 8.481 1.00 32.22 C ATOM 1142 CD2 LEU A 131 -3.256 -14.880 6.236 1.00 28.13 C ATOM 1143 H LEU A 131 -0.957 -11.583 7.229 1.00 0.00 H ATOM 1144 N ARG A 132 -3.501 -9.749 7.962 1.00 32.14 N ATOM 1145 CA ARG A 132 -4.368 -8.660 8.419 1.00 29.79 C ATOM 1146 C ARG A 132 -4.569 -7.667 7.276 1.00 31.65 C ATOM 1147 O ARG A 132 -5.621 -7.005 7.194 1.00 33.30 O ATOM 1148 CB ARG A 132 -3.832 -7.980 9.650 1.00 29.03 C ATOM 1149 CG ARG A 132 -4.574 -6.712 10.130 1.00 28.76 C ATOM 1150 CD ARG A 132 -5.961 -7.188 10.514 1.00 27.91 C ATOM 1151 NE ARG A 132 -6.760 -6.086 10.963 1.00 30.06 N ATOM 1152 CZ ARG A 132 -7.441 -5.266 10.154 1.00 36.13 C ATOM 1153 NH1 ARG A 132 -7.464 -5.435 8.848 1.00 32.73 N ATOM 1154 NH2 ARG A 132 -8.114 -4.282 10.689 1.00 38.70 N ATOM 1155 HE ARG A 132 -6.814 -5.912 11.987 1.00 0.00 H ATOM 1156 HH12 ARG A 132 -8.004 -4.779 8.248 1.00 0.00 H ATOM 1157 HH11 ARG A 132 -6.942 -6.225 8.417 1.00 0.00 H ATOM 1158 HH22 ARG A 132 -8.652 -3.630 10.083 1.00 0.00 H ATOM 1159 HH21 ARG A 132 -8.112 -4.151 11.721 1.00 0.00 H ATOM 1160 H ARG A 132 -2.530 -9.833 8.325 1.00 0.00 H ATOM 1161 N ALA A 133 -3.580 -7.524 6.402 1.00 30.50 N ATOM 1162 CA ALA A 133 -3.671 -6.440 5.429 1.00 30.40 C ATOM 1163 C ALA A 133 -4.754 -6.757 4.368 1.00 29.68 C ATOM 1164 O ALA A 133 -5.315 -5.844 3.810 1.00 31.99 O ATOM 1165 CB ALA A 133 -2.302 -6.174 4.823 1.00 31.00 C ATOM 1166 H ALA A 133 -2.763 -8.167 6.410 1.00 0.00 H ATOM 1167 N VAL A 134 -5.079 -8.031 4.115 1.00 30.97 N ATOM 1168 CA VAL A 134 -6.068 -8.412 3.127 1.00 29.35 C ATOM 1169 C VAL A 134 -7.517 -8.378 3.647 1.00 29.78 C ATOM 1170 O VAL A 134 -8.436 -8.513 2.861 1.00 29.42 O ATOM 1171 CB VAL A 134 -5.820 -9.791 2.443 1.00 30.99 C ATOM 1172 CG1 VAL A 134 -4.398 -9.892 1.977 1.00 36.88 C ATOM 1173 CG2 VAL A 134 -6.135 -10.990 3.315 1.00 33.43 C ATOM 1174 H VAL A 134 -4.600 -8.781 4.652 1.00 0.00 H ATOM 1175 N ALA A 135 -7.701 -8.311 4.951 1.00 27.24 N ATOM 1176 CA ALA A 135 -9.003 -8.306 5.556 1.00 27.10 C ATOM 1177 C ALA A 135 -9.616 -6.952 5.610 1.00 31.37 C ATOM 1178 O ALA A 135 -8.928 -5.954 5.879 1.00 29.52 O ATOM 1179 CB ALA A 135 -8.882 -8.808 6.983 1.00 25.95 C ATOM 1180 H ALA A 135 -6.866 -8.259 5.569 1.00 0.00 H ATOM 1181 N LYS A 136 -10.932 -6.894 5.433 1.00 34.17 N ATOM 1182 CA LYS A 136 -11.685 -5.682 5.823 1.00 35.06 C ATOM 1183 C LYS A 136 -11.788 -5.711 7.370 1.00 38.70 C ATOM 1184 O LYS A 136 -11.782 -6.788 7.968 1.00 32.54 O ATOM 1185 CB LYS A 136 -13.100 -5.749 5.317 1.00 34.92 C ATOM 1186 CG LYS A 136 -13.186 -5.860 3.808 1.00 33.33 C ATOM 1187 CD LYS A 136 -14.665 -5.968 3.469 1.00 36.93 C ATOM 1188 CE LYS A 136 -14.903 -5.703 1.994 1.00 38.12 C ATOM 1189 NZ LYS A 136 -16.269 -6.159 1.757 1.00 43.33 N ATOM 1190 HZ1 LYS A 136 -16.340 -7.171 1.986 1.00 0.00 H ATOM 1191 HZ2 LYS A 136 -16.923 -5.619 2.359 1.00 0.00 H ATOM 1192 HZ3 LYS A 136 -16.514 -6.011 0.757 1.00 0.00 H ATOM 1193 H LYS A 136 -11.435 -7.705 5.018 1.00 0.00 H ATOM 1194 N PRO A 137 -11.966 -4.544 7.981 1.00 36.83 N ATOM 1195 CA PRO A 137 -12.249 -4.517 9.400 1.00 40.17 C ATOM 1196 C PRO A 137 -13.501 -5.367 9.692 1.00 39.32 C ATOM 1197 O PRO A 137 -14.409 -5.373 8.893 1.00 35.79 O ATOM 1198 CB PRO A 137 -12.414 -3.030 9.724 1.00 41.74 C ATOM 1199 CG PRO A 137 -12.467 -2.307 8.416 1.00 42.51 C ATOM 1200 CD PRO A 137 -12.117 -3.225 7.310 1.00 40.63 C ATOM 1201 N GLY A 138 -13.469 -6.171 10.768 1.00 38.14 N ATOM 1202 CA GLY A 138 -14.570 -7.078 11.071 1.00 35.59 C ATOM 1203 C GLY A 138 -14.500 -8.440 10.426 1.00 34.27 C ATOM 1204 O GLY A 138 -15.225 -9.341 10.830 1.00 38.81 O ATOM 1205 H GLY A 138 -12.642 -6.146 11.398 1.00 0.00 H ATOM 1206 N ALA A 139 -13.648 -8.638 9.422 1.00 30.86 N ATOM 1207 CA ALA A 139 -13.569 -9.946 8.843 1.00 30.17 C ATOM 1208 C ALA A 139 -12.991 -11.025 9.806 1.00 30.41 C ATOM 1209 O ALA A 139 -11.990 -10.787 10.481 1.00 30.44 O ATOM 1210 CB ALA A 139 -12.731 -9.909 7.589 1.00 31.24 C ATOM 1211 H ALA A 139 -13.054 -7.862 9.067 1.00 0.00 H ATOM 1212 N PRO A 140 -13.559 -12.229 9.782 1.00 29.88 N ATOM 1213 CA PRO A 140 -12.925 -13.391 10.489 1.00 29.52 C ATOM 1214 C PRO A 140 -11.665 -13.965 9.820 1.00 32.30 C ATOM 1215 O PRO A 140 -11.549 -13.970 8.561 1.00 27.85 O ATOM 1216 CB PRO A 140 -13.995 -14.486 10.461 1.00 34.44 C ATOM 1217 CG PRO A 140 -15.082 -14.009 9.613 1.00 35.13 C ATOM 1218 CD PRO A 140 -14.930 -12.507 9.328 1.00 31.79 C ATOM 1219 N LEU A 141 -10.693 -14.379 10.646 1.00 28.77 N ATOM 1220 CA LEU A 141 -9.592 -15.185 10.170 1.00 27.41 C ATOM 1221 C LEU A 141 -9.886 -16.584 10.709 1.00 29.59 C ATOM 1222 O LEU A 141 -10.243 -16.728 11.902 1.00 28.01 O ATOM 1223 CB LEU A 141 -8.282 -14.631 10.698 1.00 29.55 C ATOM 1224 CG LEU A 141 -7.056 -15.516 10.663 1.00 31.13 C ATOM 1225 CD1 LEU A 141 -6.588 -15.716 9.249 1.00 29.19 C ATOM 1226 CD2 LEU A 141 -5.947 -14.936 11.480 1.00 32.49 C ATOM 1227 H LEU A 141 -10.732 -14.114 11.651 1.00 0.00 H ATOM 1228 N GLU A 142 -9.821 -17.607 9.875 1.00 24.61 N ATOM 1229 CA GLU A 142 -10.092 -19.004 10.292 1.00 29.77 C ATOM 1230 C GLU A 142 -8.902 -19.845 9.961 1.00 26.87 C ATOM 1231 O GLU A 142 -8.482 -19.913 8.797 1.00 25.64 O ATOM 1232 CB GLU A 142 -11.353 -19.521 9.622 1.00 33.74 C ATOM 1233 CG GLU A 142 -12.559 -18.693 10.061 1.00 50.77 C ATOM 1234 CD GLU A 142 -13.665 -18.530 9.000 1.00 59.64 C ATOM 1235 OE1 GLU A 142 -13.463 -18.909 7.809 1.00 69.88 O ATOM 1236 OE2 GLU A 142 -14.741 -18.002 9.375 1.00 66.02 O ATOM 1237 H GLU A 142 -9.569 -17.424 8.883 1.00 0.00 H ATOM 1238 N ILE A 143 -8.224 -20.322 10.978 1.00 26.65 N ATOM 1239 CA ILE A 143 -7.043 -21.127 10.831 1.00 28.84 C ATOM 1240 C ILE A 143 -7.349 -22.525 11.369 1.00 30.20 C ATOM 1241 O ILE A 143 -7.870 -22.658 12.520 1.00 28.41 O ATOM 1242 CB ILE A 143 -5.870 -20.584 11.677 1.00 30.22 C ATOM 1243 CG1 ILE A 143 -5.540 -19.152 11.292 1.00 32.58 C ATOM 1244 CG2 ILE A 143 -4.667 -21.471 11.493 1.00 32.45 C ATOM 1245 CD1 ILE A 143 -4.490 -18.520 12.170 1.00 39.27 C ATOM 1246 H ILE A 143 -8.558 -20.107 11.939 1.00 0.00 H ATOM 1247 N SER A 144 -6.998 -23.534 10.587 1.00 28.58 N ATOM 1248 CA SER A 144 -7.078 -24.942 10.981 1.00 30.64 C ATOM 1249 C SER A 144 -5.758 -25.620 10.807 1.00 31.26 C ATOM 1250 O SER A 144 -5.194 -25.632 9.700 1.00 29.93 O ATOM 1251 CB SER A 144 -8.030 -25.662 10.065 1.00 37.64 C ATOM 1252 OG SER A 144 -9.273 -25.048 10.225 1.00 39.16 O ATOM 1253 HG SER A 144 -9.560 -25.128 11.169 1.00 0.00 H ATOM 1254 H SER A 144 -6.644 -23.313 9.634 1.00 0.00 H ATOM 1255 N ILE A 145 -5.226 -26.181 11.872 1.00 29.45 N ATOM 1256 CA ILE A 145 -4.011 -26.992 11.765 1.00 32.14 C ATOM 1257 C ILE A 145 -4.307 -28.398 12.311 1.00 34.68 C ATOM 1258 O ILE A 145 -4.679 -28.561 13.478 1.00 34.48 O ATOM 1259 CB ILE A 145 -2.937 -26.325 12.597 1.00 33.70 C ATOM 1260 CG1 ILE A 145 -2.592 -24.977 11.976 1.00 37.13 C ATOM 1261 CG2 ILE A 145 -1.703 -27.188 12.685 1.00 40.29 C ATOM 1262 CD1 ILE A 145 -2.046 -24.062 13.015 1.00 35.73 C ATOM 1263 H ILE A 145 -5.674 -26.047 12.801 1.00 0.00 H ATOM 1264 N GLY A 146 -4.127 -29.388 11.488 1.00 33.78 N ATOM 1265 CA GLY A 146 -4.098 -30.843 11.932 1.00 37.29 C ATOM 1266 C GLY A 146 -3.053 -31.153 12.989 1.00 35.82 C ATOM 1267 O GLY A 146 -1.911 -30.882 12.816 1.00 37.27 O ATOM 1268 H GLY A 146 -3.997 -29.175 10.478 1.00 0.00 H ATOM 1269 N THR A 147 -3.401 -31.671 14.142 1.00 38.19 N ATOM 1270 CA THR A 147 -2.376 -31.737 15.166 1.00 41.57 C ATOM 1271 C THR A 147 -1.492 -32.965 14.944 1.00 40.68 C ATOM 1272 O THR A 147 -0.473 -33.094 15.593 1.00 43.17 O ATOM 1273 CB THR A 147 -2.954 -31.824 16.580 1.00 47.64 C ATOM 1274 OG1 THR A 147 -3.874 -32.920 16.589 1.00 51.27 O ATOM 1275 CG2 THR A 147 -3.613 -30.461 16.989 1.00 48.35 C ATOM 1276 HG1 THR A 147 -4.591 -32.753 15.927 1.00 0.00 H ATOM 1277 H THR A 147 -4.366 -32.018 14.314 1.00 0.00 H ATOM 1278 N SER A 148 -1.812 -33.796 13.974 1.00 38.45 N ATOM 1279 CA SER A 148 -0.963 -34.940 13.738 1.00 44.62 C ATOM 1280 C SER A 148 0.377 -34.479 13.090 1.00 43.92 C ATOM 1281 O SER A 148 1.312 -35.246 13.038 1.00 45.40 O ATOM 1282 CB SER A 148 -1.654 -35.974 12.850 1.00 45.78 C ATOM 1283 OG SER A 148 -1.613 -35.418 11.541 1.00 44.67 O ATOM 1284 HG SER A 148 -2.092 -34.552 11.536 1.00 0.00 H ATOM 1285 H SER A 148 -2.657 -33.632 13.391 1.00 0.00 H ATOM 1286 N ILE A 149 0.517 -33.226 12.659 1.00 43.38 N ATOM 1287 CA ILE A 149 1.830 -32.835 12.135 1.00 42.29 C ATOM 1288 C ILE A 149 2.851 -32.849 13.241 1.00 39.96 C ATOM 1289 O ILE A 149 4.010 -32.871 12.929 1.00 41.10 O ATOM 1290 CB ILE A 149 1.832 -31.439 11.492 1.00 45.71 C ATOM 1291 CG1 ILE A 149 1.333 -30.422 12.476 1.00 43.04 C ATOM 1292 CG2 ILE A 149 1.023 -31.424 10.232 1.00 46.69 C ATOM 1293 CD1 ILE A 149 1.498 -28.999 11.980 1.00 48.61 C ATOM 1294 H ILE A 149 -0.274 -32.552 12.693 1.00 0.00 H ATOM 1295 N TRP A 150 2.433 -32.745 14.515 1.00 36.32 N ATOM 1296 CA TRP A 150 3.349 -32.805 15.634 1.00 38.35 C ATOM 1297 C TRP A 150 3.717 -34.242 16.025 1.00 41.06 C ATOM 1298 O TRP A 150 4.499 -34.462 16.934 1.00 38.59 O ATOM 1299 CB TRP A 150 2.740 -32.092 16.842 1.00 41.74 C ATOM 1300 CG TRP A 150 2.248 -30.653 16.471 1.00 44.97 C ATOM 1301 CD1 TRP A 150 0.990 -30.240 16.047 1.00 47.47 C ATOM 1302 CD2 TRP A 150 3.033 -29.533 16.488 1.00 40.24 C ATOM 1303 NE1 TRP A 150 0.966 -28.888 15.828 1.00 47.36 N ATOM 1304 CE2 TRP A 150 2.210 -28.422 16.121 1.00 45.81 C ATOM 1305 CE3 TRP A 150 4.342 -29.332 16.846 1.00 40.93 C ATOM 1306 CZ2 TRP A 150 2.679 -27.181 16.033 1.00 42.93 C ATOM 1307 CZ3 TRP A 150 4.791 -28.142 16.789 1.00 42.16 C ATOM 1308 CH2 TRP A 150 3.993 -27.047 16.335 1.00 44.66 C ATOM 1309 HE1 TRP A 150 0.154 -28.327 15.501 1.00 0.00 H ATOM 1310 H TRP A 150 1.418 -32.617 14.702 1.00 0.00 H ATOM 1311 N ARG A 151 3.194 -35.254 15.361 1.00 42.90 N ATOM 1312 CA ARG A 151 3.782 -36.579 15.670 1.00 49.37 C ATOM 1313 C ARG A 151 4.914 -36.912 14.690 1.00 48.48 C ATOM 1314 O ARG A 151 4.925 -36.411 13.562 1.00 44.53 O ATOM 1315 CB ARG A 151 2.744 -37.705 15.782 1.00 55.73 C ATOM 1316 CG ARG A 151 1.746 -37.806 14.673 1.00 62.59 C ATOM 1317 CD ARG A 151 0.961 -39.142 14.681 1.00 73.67 C ATOM 1318 NE ARG A 151 0.201 -39.273 13.424 1.00 80.05 N ATOM 1319 CZ ARG A 151 -0.516 -40.325 13.043 1.00 87.41 C ATOM 1320 NH1 ARG A 151 -0.625 -41.419 13.809 1.00 89.15 N ATOM 1321 NH2 ARG A 151 -1.131 -40.268 11.865 1.00 87.44 N ATOM 1322 HE ARG A 151 0.229 -38.463 12.772 1.00 0.00 H ATOM 1323 HH12 ARG A 151 -1.193 -42.227 13.484 1.00 0.00 H ATOM 1324 HH11 ARG A 151 -0.141 -41.460 14.729 1.00 0.00 H ATOM 1325 HH22 ARG A 151 -1.700 -41.074 11.536 1.00 0.00 H ATOM 1326 HH21 ARG A 151 -1.042 -39.418 11.273 1.00 0.00 H ATOM 1327 H ARG A 151 2.425 -35.132 14.671 1.00 0.00 H ATOM 1328 N GLU A 152 5.869 -37.713 15.148 1.00 51.44 N ATOM 1329 CA GLU A 152 7.066 -38.058 14.373 1.00 55.81 C ATOM 1330 C GLU A 152 6.708 -38.697 13.038 1.00 56.56 C ATOM 1331 O GLU A 152 5.788 -39.448 12.988 1.00 58.66 O ATOM 1332 CB GLU A 152 7.958 -38.975 15.184 1.00 59.45 C ATOM 1333 CG GLU A 152 8.556 -38.295 16.391 1.00 61.28 C ATOM 1334 CD GLU A 152 9.661 -37.298 16.045 1.00 65.40 C ATOM 1335 OE1 GLU A 152 9.830 -36.868 14.854 1.00 69.08 O ATOM 1336 OE2 GLU A 152 10.363 -36.923 17.006 1.00 71.50 O ATOM 1337 H GLU A 152 5.763 -38.115 16.101 1.00 0.00 H ATOM 1338 N PRO A 153 7.396 -38.342 11.943 1.00 56.75 N ATOM 1339 CA PRO A 153 8.543 -37.453 11.832 1.00 53.62 C ATOM 1340 C PRO A 153 7.961 -36.035 11.717 1.00 49.27 C ATOM 1341 O PRO A 153 7.071 -35.802 10.947 1.00 48.60 O ATOM 1342 CB PRO A 153 9.220 -37.923 10.527 1.00 57.36 C ATOM 1343 CG PRO A 153 8.103 -38.581 9.727 1.00 58.73 C ATOM 1344 CD PRO A 153 6.861 -38.666 10.605 1.00 57.23 C ATOM 1345 N ILE A 154 8.401 -35.120 12.542 1.00 42.78 N ATOM 1346 CA ILE A 154 7.891 -33.792 12.499 1.00 39.04 C ATOM 1347 C ILE A 154 8.553 -32.955 11.387 1.00 37.73 C ATOM 1348 O ILE A 154 9.723 -32.991 11.206 1.00 39.54 O ATOM 1349 CB ILE A 154 8.110 -33.141 13.836 1.00 39.45 C ATOM 1350 CG1 ILE A 154 7.421 -34.025 14.910 1.00 43.65 C ATOM 1351 CG2 ILE A 154 7.577 -31.718 13.829 1.00 36.49 C ATOM 1352 CD1 ILE A 154 8.048 -33.858 16.277 1.00 46.81 C ATOM 1353 H ILE A 154 9.133 -35.366 13.238 1.00 0.00 H ATOM 1354 N PRO A 155 7.785 -32.218 10.659 1.00 34.96 N ATOM 1355 CA PRO A 155 8.408 -31.482 9.585 1.00 36.86 C ATOM 1356 C PRO A 155 9.290 -30.338 10.089 1.00 34.89 C ATOM 1357 O PRO A 155 9.003 -29.719 11.104 1.00 32.99 O ATOM 1358 CB PRO A 155 7.235 -30.872 8.835 1.00 36.03 C ATOM 1359 CG PRO A 155 5.999 -31.558 9.348 1.00 36.76 C ATOM 1360 CD PRO A 155 6.337 -32.011 10.722 1.00 34.43 C ATOM 1361 N LEU A 156 10.318 -30.093 9.313 1.00 34.69 N ATOM 1362 CA LEU A 156 11.342 -29.157 9.610 1.00 34.62 C ATOM 1363 C LEU A 156 10.827 -27.795 10.025 1.00 31.67 C ATOM 1364 O LEU A 156 11.343 -27.240 10.962 1.00 32.73 O ATOM 1365 CB LEU A 156 12.342 -29.058 8.397 1.00 36.13 C ATOM 1366 CG LEU A 156 13.599 -28.197 8.647 1.00 36.34 C ATOM 1367 CD1 LEU A 156 14.467 -28.680 9.819 1.00 37.61 C ATOM 1368 CD2 LEU A 156 14.508 -28.128 7.448 1.00 37.81 C ATOM 1369 H LEU A 156 10.388 -30.620 8.419 1.00 0.00 H ATOM 1370 N GLU A 157 9.780 -27.298 9.405 1.00 31.87 N ATOM 1371 CA GLU A 157 9.335 -25.962 9.690 1.00 31.25 C ATOM 1372 C GLU A 157 8.741 -25.778 11.095 1.00 30.56 C ATOM 1373 O GLU A 157 8.434 -24.642 11.480 1.00 26.78 O ATOM 1374 CB GLU A 157 8.320 -25.487 8.676 1.00 30.47 C ATOM 1375 CG GLU A 157 7.073 -26.323 8.515 1.00 31.85 C ATOM 1376 CD GLU A 157 7.187 -27.314 7.345 1.00 36.66 C ATOM 1377 OE1 GLU A 157 8.277 -27.942 7.191 1.00 36.52 O ATOM 1378 OE2 GLU A 157 6.187 -27.326 6.543 1.00 35.52 O ATOM 1379 H GLU A 157 9.271 -27.875 8.705 1.00 0.00 H ATOM 1380 N ILE A 158 8.417 -26.881 11.761 1.00 31.67 N ATOM 1381 CA ILE A 158 7.937 -26.747 13.202 1.00 31.46 C ATOM 1382 C ILE A 158 8.658 -27.687 14.157 1.00 33.77 C ATOM 1383 O ILE A 158 8.195 -27.836 15.282 1.00 38.28 O ATOM 1384 CB ILE A 158 6.442 -27.065 13.413 1.00 31.46 C ATOM 1385 CG1 ILE A 158 6.041 -28.429 12.802 1.00 37.84 C ATOM 1386 CG2 ILE A 158 5.571 -26.027 12.853 1.00 31.83 C ATOM 1387 CD1 ILE A 158 4.751 -28.993 13.299 1.00 43.61 C ATOM 1388 H ILE A 158 8.489 -27.815 11.309 1.00 0.00 H ATOM 1389 N ARG A 159 9.722 -28.343 13.716 1.00 35.29 N ATOM 1390 CA ARG A 159 10.477 -29.294 14.539 1.00 44.30 C ATOM 1391 C ARG A 159 10.885 -28.780 15.901 1.00 44.97 C ATOM 1392 O ARG A 159 10.991 -29.533 16.810 1.00 42.07 O ATOM 1393 CB ARG A 159 11.810 -29.609 13.903 1.00 51.53 C ATOM 1394 CG ARG A 159 11.905 -30.975 13.377 1.00 57.45 C ATOM 1395 CD ARG A 159 13.250 -31.133 12.736 1.00 59.91 C ATOM 1396 NE ARG A 159 13.949 -32.213 13.366 1.00 65.66 N ATOM 1397 CZ ARG A 159 15.256 -32.234 13.536 1.00 68.19 C ATOM 1398 NH1 ARG A 159 16.023 -31.222 13.105 1.00 66.81 N ATOM 1399 NH2 ARG A 159 15.798 -33.280 14.123 1.00 76.56 N ATOM 1400 HE ARG A 159 13.395 -33.024 13.708 1.00 0.00 H ATOM 1401 HH12 ARG A 159 17.053 -31.253 13.247 1.00 0.00 H ATOM 1402 HH11 ARG A 159 15.588 -30.406 12.629 1.00 0.00 H ATOM 1403 HH22 ARG A 159 16.827 -33.320 14.268 1.00 0.00 H ATOM 1404 HH21 ARG A 159 15.197 -34.067 14.441 1.00 0.00 H ATOM 1405 H ARG A 159 10.037 -28.175 12.739 1.00 0.00 H ATOM 1406 N ASP A 160 11.214 -27.505 15.980 1.00 45.13 N ATOM 1407 CA ASP A 160 11.806 -26.942 17.170 1.00 44.94 C ATOM 1408 C ASP A 160 10.767 -26.365 18.082 1.00 42.88 C ATOM 1409 O ASP A 160 11.099 -25.912 19.133 1.00 48.05 O ATOM 1410 CB ASP A 160 12.865 -25.905 16.766 1.00 45.42 C ATOM 1411 CG ASP A 160 12.318 -24.820 15.781 1.00 48.48 C ATOM 1412 OD1 ASP A 160 11.554 -25.129 14.785 1.00 43.44 O ATOM 1413 OD2 ASP A 160 12.638 -23.632 16.037 1.00 47.32 O ATOM 1414 H ASP A 160 11.042 -26.887 15.161 1.00 0.00 H ATOM 1415 N LEU A 161 9.506 -26.370 17.673 1.00 44.53 N ATOM 1416 CA LEU A 161 8.406 -25.754 18.398 1.00 42.00 C ATOM 1417 C LEU A 161 7.516 -26.787 19.117 1.00 48.58 C ATOM 1418 O LEU A 161 7.119 -27.811 18.550 1.00 40.83 O ATOM 1419 CB LEU A 161 7.514 -24.933 17.482 1.00 40.49 C ATOM 1420 CG LEU A 161 8.240 -24.088 16.419 1.00 40.27 C ATOM 1421 CD1 LEU A 161 7.197 -23.362 15.649 1.00 37.78 C ATOM 1422 CD2 LEU A 161 9.206 -23.068 17.057 1.00 41.54 C ATOM 1423 H LEU A 161 9.289 -26.846 16.774 1.00 0.00 H ATOM 1424 N PRO A 162 7.137 -26.483 20.369 1.00 56.36 N ATOM 1425 CA PRO A 162 6.202 -27.358 21.075 1.00 52.84 C ATOM 1426 C PRO A 162 4.840 -27.377 20.381 1.00 45.85 C ATOM 1427 O PRO A 162 4.467 -26.476 19.639 1.00 38.23 O ATOM 1428 CB PRO A 162 6.097 -26.723 22.480 1.00 58.67 C ATOM 1429 CG PRO A 162 7.066 -25.542 22.499 1.00 60.78 C ATOM 1430 CD PRO A 162 7.269 -25.177 21.046 1.00 61.17 C ATOM 1431 N GLU A 163 4.108 -28.444 20.580 1.00 42.44 N ATOM 1432 CA GLU A 163 2.869 -28.648 19.855 1.00 45.31 C ATOM 1433 C GLU A 163 1.903 -27.512 20.236 1.00 43.59 C ATOM 1434 O GLU A 163 1.870 -27.107 21.361 1.00 38.16 O ATOM 1435 CB GLU A 163 2.284 -30.020 20.215 1.00 46.22 C ATOM 1436 CG GLU A 163 0.870 -30.213 19.706 1.00 54.32 C ATOM 1437 CD GLU A 163 0.291 -31.584 20.019 1.00 61.39 C ATOM 1438 OE1 GLU A 163 1.033 -32.443 20.554 1.00 66.41 O ATOM 1439 OE2 GLU A 163 -0.910 -31.776 19.733 1.00 69.14 O ATOM 1440 H GLU A 163 4.420 -29.157 21.270 1.00 0.00 H ATOM 1441 N LEU A 164 1.128 -27.020 19.300 1.00 45.01 N ATOM 1442 CA LEU A 164 0.258 -25.889 19.562 1.00 45.58 C ATOM 1443 C LEU A 164 -1.042 -26.504 20.079 1.00 44.12 C ATOM 1444 O LEU A 164 -1.644 -27.356 19.420 1.00 40.26 O ATOM 1445 CB LEU A 164 0.032 -25.090 18.277 1.00 44.60 C ATOM 1446 CG LEU A 164 -0.402 -23.655 18.496 1.00 42.06 C ATOM 1447 CD1 LEU A 164 0.632 -22.876 19.346 1.00 43.53 C ATOM 1448 CD2 LEU A 164 -0.587 -23.044 17.155 1.00 42.23 C ATOM 1449 H LEU A 164 1.137 -27.448 18.352 1.00 0.00 H ATOM 1450 N THR A 165 -1.388 -26.153 21.315 1.00 42.16 N ATOM 1451 CA THR A 165 -2.666 -26.523 21.961 1.00 39.27 C ATOM 1452 C THR A 165 -3.368 -25.181 22.376 1.00 38.82 C ATOM 1453 O THR A 165 -2.737 -24.113 22.334 1.00 33.05 O ATOM 1454 CB THR A 165 -2.423 -27.323 23.249 1.00 41.44 C ATOM 1455 OG1 THR A 165 -1.777 -26.478 24.219 1.00 40.79 O ATOM 1456 CG2 THR A 165 -1.555 -28.652 22.996 1.00 43.53 C ATOM 1457 HG1 THR A 165 -0.912 -26.162 23.856 1.00 0.00 H ATOM 1458 H THR A 165 -0.715 -25.580 21.863 1.00 0.00 H ATOM 1459 N PRO A 166 -4.621 -25.247 22.829 1.00 39.68 N ATOM 1460 CA PRO A 166 -5.240 -24.002 23.332 1.00 40.07 C ATOM 1461 C PRO A 166 -4.402 -23.358 24.410 1.00 38.13 C ATOM 1462 O PRO A 166 -4.227 -22.148 24.387 1.00 31.92 O ATOM 1463 CB PRO A 166 -6.573 -24.480 23.841 1.00 43.07 C ATOM 1464 CG PRO A 166 -6.922 -25.567 22.890 1.00 42.98 C ATOM 1465 CD PRO A 166 -5.615 -26.331 22.777 1.00 41.77 C ATOM 1466 N GLU A 167 -3.778 -24.162 25.255 1.00 39.13 N ATOM 1467 CA GLU A 167 -2.974 -23.649 26.361 1.00 41.95 C ATOM 1468 C GLU A 167 -1.670 -22.991 25.835 1.00 37.29 C ATOM 1469 O GLU A 167 -1.227 -21.946 26.357 1.00 34.33 O ATOM 1470 CB GLU A 167 -2.590 -24.771 27.361 1.00 47.93 C ATOM 1471 CG GLU A 167 -3.702 -25.366 28.193 1.00 59.32 C ATOM 1472 CD GLU A 167 -4.694 -26.279 27.422 1.00 72.21 C ATOM 1473 OE1 GLU A 167 -4.435 -26.753 26.259 1.00 63.36 O ATOM 1474 OE2 GLU A 167 -5.789 -26.517 28.004 1.00 79.92 O ATOM 1475 H GLU A 167 -3.863 -25.191 25.128 1.00 0.00 H ATOM 1476 N THR A 168 -0.990 -23.618 24.872 1.00 34.42 N ATOM 1477 CA THR A 168 0.200 -22.962 24.384 1.00 33.65 C ATOM 1478 C THR A 168 -0.103 -21.797 23.432 1.00 29.96 C ATOM 1479 O THR A 168 0.687 -20.926 23.310 1.00 28.98 O ATOM 1480 CB THR A 168 1.224 -23.896 23.735 1.00 36.50 C ATOM 1481 OG1 THR A 168 0.642 -24.496 22.611 1.00 36.33 O ATOM 1482 CG2 THR A 168 1.683 -24.990 24.754 1.00 40.40 C ATOM 1483 HG1 THR A 168 1.298 -25.102 22.185 1.00 0.00 H ATOM 1484 H THR A 168 -1.302 -24.534 24.492 1.00 0.00 H ATOM 1485 N VAL A 169 -1.278 -21.729 22.832 1.00 31.78 N ATOM 1486 CA VAL A 169 -1.638 -20.519 22.092 1.00 31.67 C ATOM 1487 C VAL A 169 -1.511 -19.309 23.039 1.00 32.64 C ATOM 1488 O VAL A 169 -1.027 -18.200 22.669 1.00 30.74 O ATOM 1489 CB VAL A 169 -3.067 -20.658 21.506 1.00 32.95 C ATOM 1490 CG1 VAL A 169 -3.673 -19.330 21.106 1.00 32.04 C ATOM 1491 CG2 VAL A 169 -3.086 -21.629 20.364 1.00 34.18 C ATOM 1492 H VAL A 169 -1.941 -22.528 22.885 1.00 0.00 H ATOM 1493 N VAL A 170 -1.930 -19.521 24.266 1.00 32.39 N ATOM 1494 CA VAL A 170 -1.855 -18.486 25.263 1.00 32.13 C ATOM 1495 C VAL A 170 -0.484 -18.342 25.833 1.00 32.39 C ATOM 1496 O VAL A 170 0.042 -17.209 25.927 1.00 35.84 O ATOM 1497 CB VAL A 170 -2.904 -18.680 26.413 1.00 33.08 C ATOM 1498 CG1 VAL A 170 -2.593 -17.782 27.582 1.00 35.63 C ATOM 1499 CG2 VAL A 170 -4.313 -18.516 25.871 1.00 31.63 C ATOM 1500 H VAL A 170 -2.322 -20.450 24.520 1.00 0.00 H ATOM 1501 N SER A 171 0.129 -19.426 26.282 1.00 32.91 N ATOM 1502 CA SER A 171 1.344 -19.276 27.103 1.00 32.75 C ATOM 1503 C SER A 171 2.563 -18.934 26.191 1.00 35.11 C ATOM 1504 O SER A 171 3.546 -18.400 26.677 1.00 34.48 O ATOM 1505 CB SER A 171 1.667 -20.540 27.876 1.00 35.04 C ATOM 1506 OG SER A 171 1.840 -21.580 26.937 1.00 34.61 O ATOM 1507 HG SER A 171 1.005 -21.696 26.417 1.00 0.00 H ATOM 1508 H SER A 171 -0.242 -20.371 26.058 1.00 0.00 H ATOM 1509 N THR A 172 2.512 -19.228 24.891 1.00 34.71 N ATOM 1510 CA THR A 172 3.591 -18.713 24.023 1.00 35.84 C ATOM 1511 C THR A 172 3.454 -17.228 23.658 1.00 39.19 C ATOM 1512 O THR A 172 4.297 -16.656 22.976 1.00 40.14 O ATOM 1513 CB THR A 172 3.715 -19.478 22.710 1.00 34.02 C ATOM 1514 OG1 THR A 172 2.493 -19.405 21.991 1.00 32.94 O ATOM 1515 CG2 THR A 172 4.072 -20.964 22.984 1.00 33.61 C ATOM 1516 HG1 THR A 172 1.767 -19.803 22.534 1.00 0.00 H ATOM 1517 H THR A 172 1.737 -19.802 24.501 1.00 0.00 H ATOM 1518 N GLY A 173 2.370 -16.591 24.024 1.00 36.10 N ATOM 1519 CA GLY A 173 2.226 -15.205 23.622 1.00 36.69 C ATOM 1520 C GLY A 173 1.534 -14.981 22.307 1.00 37.03 C ATOM 1521 O GLY A 173 1.431 -13.829 21.898 1.00 38.48 O ATOM 1522 H GLY A 173 1.634 -17.065 24.586 1.00 0.00 H ATOM 1523 N LEU A 174 1.091 -16.061 21.643 1.00 32.82 N ATOM 1524 CA LEU A 174 0.457 -15.965 20.338 1.00 29.96 C ATOM 1525 C LEU A 174 -0.802 -15.126 20.329 1.00 32.75 C ATOM 1526 O LEU A 174 -0.985 -14.408 19.329 1.00 31.26 O ATOM 1527 CB LEU A 174 0.218 -17.346 19.727 1.00 30.01 C ATOM 1528 CG LEU A 174 -0.513 -17.421 18.381 1.00 32.15 C ATOM 1529 CD1 LEU A 174 0.197 -16.551 17.361 1.00 36.38 C ATOM 1530 CD2 LEU A 174 -0.705 -18.838 17.799 1.00 30.69 C ATOM 1531 H LEU A 174 1.205 -16.999 22.077 1.00 0.00 H ATOM 1532 N THR A 175 -1.661 -15.134 21.393 1.00 28.28 N ATOM 1533 CA THR A 175 -2.840 -14.254 21.330 1.00 30.60 C ATOM 1534 C THR A 175 -2.404 -12.775 21.481 1.00 31.27 C ATOM 1535 O THR A 175 -3.049 -11.895 20.916 1.00 35.04 O ATOM 1536 CB THR A 175 -3.946 -14.607 22.347 1.00 32.89 C ATOM 1537 OG1 THR A 175 -3.443 -14.399 23.669 1.00 30.41 O ATOM 1538 CG2 THR A 175 -4.318 -16.094 22.232 1.00 33.25 C ATOM 1539 HG1 THR A 175 -2.655 -14.980 23.816 1.00 0.00 H ATOM 1540 H THR A 175 -1.487 -15.741 22.219 1.00 0.00 H ATOM 1541 N ASP A 176 -1.322 -12.505 22.207 1.00 31.89 N ATOM 1542 CA ASP A 176 -0.792 -11.129 22.314 1.00 35.94 C ATOM 1543 C ASP A 176 -0.188 -10.593 20.970 1.00 33.47 C ATOM 1544 O ASP A 176 -0.359 -9.452 20.653 1.00 40.48 O ATOM 1545 CB ASP A 176 0.260 -11.033 23.380 1.00 39.34 C ATOM 1546 CG ASP A 176 -0.284 -11.302 24.856 1.00 49.56 C ATOM 1547 OD1 ASP A 176 -1.507 -11.237 25.165 1.00 53.01 O ATOM 1548 OD2 ASP A 176 0.564 -11.530 25.755 1.00 55.28 O ATOM 1549 H ASP A 176 -0.840 -13.277 22.709 1.00 0.00 H ATOM 1550 N ARG A 177 0.556 -11.404 20.248 1.00 35.49 N ATOM 1551 CA ARG A 177 1.091 -11.042 18.916 1.00 34.86 C ATOM 1552 C ARG A 177 -0.029 -10.840 17.959 1.00 34.17 C ATOM 1553 O ARG A 177 -0.014 -9.889 17.172 1.00 38.48 O ATOM 1554 CB ARG A 177 2.108 -12.063 18.448 1.00 34.05 C ATOM 1555 CG ARG A 177 3.408 -11.825 19.252 1.00 36.98 C ATOM 1556 CD ARG A 177 4.621 -12.613 18.759 1.00 40.44 C ATOM 1557 NE ARG A 177 4.500 -14.067 18.899 1.00 41.04 N ATOM 1558 CZ ARG A 177 4.555 -14.757 20.058 1.00 44.52 C ATOM 1559 NH1 ARG A 177 4.698 -14.123 21.212 1.00 43.19 N ATOM 1560 NH2 ARG A 177 4.459 -16.107 20.063 1.00 40.91 N ATOM 1561 HE ARG A 177 4.359 -14.616 18.027 1.00 0.00 H ATOM 1562 HH12 ARG A 177 4.739 -14.663 22.100 1.00 0.00 H ATOM 1563 HH11 ARG A 177 4.769 -13.086 21.230 1.00 0.00 H ATOM 1564 HH22 ARG A 177 4.503 -16.628 20.962 1.00 0.00 H ATOM 1565 HH21 ARG A 177 4.342 -16.623 19.168 1.00 0.00 H ATOM 1566 H ARG A 177 0.779 -12.345 20.632 1.00 0.00 H ATOM 1567 N LEU A 178 -1.069 -11.643 18.094 1.00 34.21 N ATOM 1568 CA LEU A 178 -2.253 -11.451 17.234 1.00 34.23 C ATOM 1569 C LEU A 178 -2.856 -10.080 17.535 1.00 35.20 C ATOM 1570 O LEU A 178 -3.229 -9.334 16.609 1.00 32.61 O ATOM 1571 CB LEU A 178 -3.272 -12.560 17.423 1.00 35.00 C ATOM 1572 CG LEU A 178 -2.912 -13.864 16.698 1.00 36.51 C ATOM 1573 CD1 LEU A 178 -3.782 -15.018 17.249 1.00 38.16 C ATOM 1574 CD2 LEU A 178 -3.200 -13.779 15.197 1.00 38.47 C ATOM 1575 H LEU A 178 -1.054 -12.405 18.801 1.00 0.00 H ATOM 1576 N ALA A 179 -2.990 -9.749 18.808 1.00 32.04 N ATOM 1577 CA ALA A 179 -3.628 -8.514 19.161 1.00 35.44 C ATOM 1578 C ALA A 179 -2.783 -7.298 18.714 1.00 38.77 C ATOM 1579 O ALA A 179 -3.326 -6.264 18.330 1.00 41.35 O ATOM 1580 CB ALA A 179 -3.886 -8.415 20.679 1.00 37.71 C ATOM 1581 H ALA A 179 -2.634 -10.383 19.552 1.00 0.00 H ATOM 1582 N ALA A 180 -1.470 -7.457 18.737 1.00 39.13 N ATOM 1583 CA ALA A 180 -0.582 -6.337 18.429 1.00 43.50 C ATOM 1584 C ALA A 180 -0.657 -6.045 16.943 1.00 43.50 C ATOM 1585 O ALA A 180 -0.413 -4.912 16.534 1.00 46.05 O ATOM 1586 CB ALA A 180 0.875 -6.613 18.875 1.00 39.38 C ATOM 1587 H ALA A 180 -1.066 -8.385 18.976 1.00 0.00 H ATOM 1588 N LEU A 181 -1.087 -7.029 16.157 1.00 39.75 N ATOM 1589 CA LEU A 181 -1.241 -6.854 14.691 1.00 38.49 C ATOM 1590 C LEU A 181 -2.671 -6.751 14.133 1.00 35.42 C ATOM 1591 O LEU A 181 -2.870 -6.729 12.941 1.00 40.43 O ATOM 1592 CB LEU A 181 -0.420 -7.924 14.028 1.00 42.24 C ATOM 1593 CG LEU A 181 1.078 -7.735 14.424 1.00 47.72 C ATOM 1594 CD1 LEU A 181 1.897 -8.939 14.005 1.00 47.15 C ATOM 1595 CD2 LEU A 181 1.659 -6.435 13.820 1.00 55.04 C ATOM 1596 H LEU A 181 -1.322 -7.948 16.583 1.00 0.00 H ATOM 1597 N GLY A 182 -3.644 -6.552 15.002 1.00 33.35 N ATOM 1598 CA GLY A 182 -5.005 -6.220 14.573 1.00 31.59 C ATOM 1599 C GLY A 182 -5.894 -7.465 14.429 1.00 30.92 C ATOM 1600 O GLY A 182 -6.900 -7.408 13.699 1.00 30.12 O ATOM 1601 H GLY A 182 -3.439 -6.633 16.018 1.00 0.00 H ATOM 1602 N TRP A 183 -5.567 -8.546 15.147 1.00 27.98 N ATOM 1603 CA TRP A 183 -6.368 -9.805 15.150 1.00 30.36 C ATOM 1604 C TRP A 183 -6.867 -10.119 16.591 1.00 34.71 C ATOM 1605 O TRP A 183 -6.061 -10.251 17.480 1.00 38.51 O ATOM 1606 CB TRP A 183 -5.533 -10.945 14.623 1.00 30.52 C ATOM 1607 CG TRP A 183 -5.408 -11.010 13.133 1.00 29.75 C ATOM 1608 CD1 TRP A 183 -4.256 -11.046 12.453 1.00 31.97 C ATOM 1609 CD2 TRP A 183 -6.458 -11.082 12.138 1.00 28.96 C ATOM 1610 NE1 TRP A 183 -4.506 -11.110 11.109 1.00 28.73 N ATOM 1611 CE2 TRP A 183 -5.851 -11.100 10.904 1.00 27.47 C ATOM 1612 CE3 TRP A 183 -7.832 -11.087 12.188 1.00 27.69 C ATOM 1613 CZ2 TRP A 183 -6.554 -11.112 9.729 1.00 28.53 C ATOM 1614 CZ3 TRP A 183 -8.518 -11.165 11.053 1.00 30.37 C ATOM 1615 CH2 TRP A 183 -7.890 -11.143 9.804 1.00 29.32 C ATOM 1616 HE1 TRP A 183 -3.783 -11.159 10.363 1.00 0.00 H ATOM 1617 H TRP A 183 -4.709 -8.507 15.734 1.00 0.00 H ATOM 1618 N GLN A 184 -8.167 -10.069 16.839 1.00 36.06 N ATOM 1619 CA GLN A 184 -8.679 -10.331 18.186 1.00 36.16 C ATOM 1620 C GLN A 184 -9.175 -11.787 18.237 1.00 33.98 C ATOM 1621 O GLN A 184 -10.156 -12.098 17.608 1.00 31.44 O ATOM 1622 CB GLN A 184 -9.842 -9.412 18.510 1.00 41.00 C ATOM 1623 CG GLN A 184 -10.463 -9.777 19.863 1.00 45.74 C ATOM 1624 CD GLN A 184 -11.438 -8.759 20.420 1.00 51.90 C ATOM 1625 OE1 GLN A 184 -11.632 -7.742 19.844 1.00 52.84 O ATOM 1626 NE2 GLN A 184 -12.016 -9.039 21.587 1.00 58.63 N ATOM 1627 HE22 GLN A 184 -11.819 -9.944 22.061 1.00 0.00 H ATOM 1628 HE21 GLN A 184 -12.664 -8.353 22.024 1.00 0.00 H ATOM 1629 H GLN A 184 -8.830 -9.842 16.071 1.00 0.00 H ATOM 1630 N VAL A 185 -8.523 -12.639 19.006 1.00 33.17 N ATOM 1631 CA VAL A 185 -8.902 -14.070 19.091 1.00 33.04 C ATOM 1632 C VAL A 185 -10.326 -14.174 19.602 1.00 32.06 C ATOM 1633 O VAL A 185 -10.644 -13.540 20.531 1.00 34.44 O ATOM 1634 CB VAL A 185 -7.918 -14.804 19.928 1.00 33.96 C ATOM 1635 CG1 VAL A 185 -8.362 -16.237 20.193 1.00 36.63 C ATOM 1636 CG2 VAL A 185 -6.597 -14.793 19.181 1.00 35.24 C ATOM 1637 H VAL A 185 -7.719 -12.296 19.569 1.00 0.00 H ATOM 1638 N ALA A 186 -11.200 -14.827 18.883 1.00 29.39 N ATOM 1639 CA ALA A 186 -12.605 -14.953 19.303 1.00 33.67 C ATOM 1640 C ALA A 186 -12.856 -16.329 19.822 1.00 37.16 C ATOM 1641 O ALA A 186 -13.737 -16.490 20.629 1.00 37.76 O ATOM 1642 CB ALA A 186 -13.572 -14.710 18.173 1.00 33.14 C ATOM 1643 H ALA A 186 -10.895 -15.269 17.992 1.00 0.00 H ATOM 1644 N ASP A 187 -12.085 -17.309 19.365 1.00 36.25 N ATOM 1645 CA ASP A 187 -12.349 -18.725 19.712 1.00 40.65 C ATOM 1646 C ASP A 187 -11.174 -19.578 19.301 1.00 37.22 C ATOM 1647 O ASP A 187 -10.532 -19.370 18.229 1.00 33.77 O ATOM 1648 CB ASP A 187 -13.604 -19.259 19.010 1.00 43.85 C ATOM 1649 CG ASP A 187 -14.034 -20.594 19.578 1.00 54.90 C ATOM 1650 OD1 ASP A 187 -14.750 -20.638 20.631 1.00 63.58 O ATOM 1651 OD2 ASP A 187 -13.597 -21.630 19.010 1.00 64.14 O ATOM 1652 H ASP A 187 -11.279 -17.078 18.750 1.00 0.00 H ATOM 1653 N VAL A 188 -10.848 -20.531 20.160 1.00 36.23 N ATOM 1654 CA VAL A 188 -9.919 -21.557 19.829 1.00 32.59 C ATOM 1655 C VAL A 188 -10.596 -22.888 20.264 1.00 42.59 C ATOM 1656 O VAL A 188 -11.116 -22.981 21.376 1.00 40.79 O ATOM 1657 CB VAL A 188 -8.610 -21.330 20.585 1.00 34.26 C ATOM 1658 CG1 VAL A 188 -7.669 -22.528 20.410 1.00 35.99 C ATOM 1659 CG2 VAL A 188 -7.876 -20.081 20.106 1.00 34.84 C ATOM 1660 H VAL A 188 -11.284 -20.530 21.104 1.00 0.00 H ATOM 1661 N ARG A 189 -10.562 -23.927 19.443 1.00 39.95 N ATOM 1662 CA ARG A 189 -10.941 -25.264 19.924 1.00 43.33 C ATOM 1663 C ARG A 189 -10.233 -26.375 19.174 1.00 43.81 C ATOM 1664 O ARG A 189 -9.765 -26.180 18.010 1.00 34.56 O ATOM 1665 CB ARG A 189 -12.419 -25.476 19.787 1.00 47.29 C ATOM 1666 CG ARG A 189 -12.945 -25.140 18.444 1.00 48.50 C ATOM 1667 CD ARG A 189 -14.454 -25.209 18.370 1.00 57.74 C ATOM 1668 NE ARG A 189 -15.112 -24.059 18.977 1.00 70.32 N ATOM 1669 CZ ARG A 189 -16.434 -23.910 19.118 1.00 75.35 C ATOM 1670 NH1 ARG A 189 -17.277 -24.856 18.711 1.00 77.59 N ATOM 1671 NH2 ARG A 189 -16.917 -22.807 19.681 1.00 74.66 N ATOM 1672 HE ARG A 189 -14.505 -23.292 19.329 1.00 0.00 H ATOM 1673 HH12 ARG A 189 -18.302 -24.724 18.828 1.00 0.00 H ATOM 1674 HH11 ARG A 189 -16.911 -25.727 18.276 1.00 0.00 H ATOM 1675 HH22 ARG A 189 -17.944 -22.687 19.793 1.00 0.00 H ATOM 1676 HH21 ARG A 189 -16.268 -22.064 20.010 1.00 0.00 H ATOM 1677 H ARG A 189 -10.266 -23.797 18.455 1.00 0.00 H ATOM 1678 N LEU A 190 -10.141 -27.517 19.849 1.00 41.56 N ATOM 1679 CA LEU A 190 -9.639 -28.760 19.279 1.00 45.40 C ATOM 1680 C LEU A 190 -10.786 -29.636 18.937 1.00 48.55 C ATOM 1681 O LEU A 190 -11.501 -30.002 19.839 1.00 53.47 O ATOM 1682 CB LEU A 190 -8.908 -29.541 20.315 1.00 48.19 C ATOM 1683 CG LEU A 190 -7.513 -29.097 20.617 1.00 48.53 C ATOM 1684 CD1 LEU A 190 -7.090 -29.893 21.858 1.00 51.08 C ATOM 1685 CD2 LEU A 190 -6.604 -29.408 19.448 1.00 48.14 C ATOM 1686 H LEU A 190 -10.446 -27.523 20.843 1.00 0.00 H ATOM 1687 N VAL A 191 -10.957 -30.000 17.680 1.00 49.47 N ATOM 1688 CA VAL A 191 -12.144 -30.734 17.226 1.00 59.13 C ATOM 1689 C VAL A 191 -11.714 -32.123 16.767 1.00 68.12 C ATOM 1690 O VAL A 191 -11.088 -32.236 15.703 1.00 66.35 O ATOM 1691 CB VAL A 191 -12.815 -30.028 16.021 1.00 60.88 C ATOM 1692 CG1 VAL A 191 -13.903 -30.899 15.373 1.00 61.16 C ATOM 1693 CG2 VAL A 191 -13.377 -28.679 16.443 1.00 62.10 C ATOM 1694 H VAL A 191 -10.223 -29.757 16.985 1.00 0.00 H ATOM 1695 N PRO A 192 -12.072 -33.176 17.535 1.00 77.05 N ATOM 1696 CA PRO A 192 -11.688 -34.572 17.253 1.00 83.36 C ATOM 1697 C PRO A 192 -12.133 -35.268 15.962 1.00 87.11 C ATOM 1698 O PRO A 192 -11.925 -36.473 15.869 1.00 92.98 O ATOM 1699 CB PRO A 192 -12.250 -35.336 18.452 1.00 85.94 C ATOM 1700 CG PRO A 192 -12.172 -34.361 19.562 1.00 89.28 C ATOM 1701 CD PRO A 192 -12.518 -33.028 18.934 1.00 83.00 C ATOM 1702 N HIS A 193 -12.716 -34.580 14.979 1.00 95.20 N ATOM 1703 CA HIS A 193 -12.702 -35.126 13.596 1.00102.37 C ATOM 1704 C HIS A 193 -13.134 -34.067 12.590 1.00 93.56 C ATOM 1705 O HIS A 193 -12.440 -33.054 12.445 1.00 85.02 O ATOM 1706 CB HIS A 193 -13.478 -36.477 13.471 1.00114.38 C ATOM 1707 CG HIS A 193 -14.661 -36.440 12.555 1.00127.00 C ATOM 1708 ND1 HIS A 193 -15.818 -35.756 12.863 1.00135.33 N ATOM 1709 CD2 HIS A 193 -14.880 -37.028 11.354 1.00127.31 C ATOM 1710 CE1 HIS A 193 -16.689 -35.901 11.881 1.00133.64 C ATOM 1711 NE2 HIS A 193 -16.144 -36.669 10.954 1.00133.40 N ATOM 1712 H HIS A 193 -13.177 -33.669 15.178 1.00 0.00 H TER 1713 HIS A 193 ATOM 1714 N THR A 212 -10.095 -40.267 11.882 1.00113.57 N ATOM 1715 CA THR A 212 -10.407 -39.169 12.795 1.00114.03 C ATOM 1716 C THR A 212 -9.108 -38.494 13.293 1.00109.02 C ATOM 1717 O THR A 212 -8.523 -38.908 14.301 1.00109.44 O ATOM 1718 CB THR A 212 -11.298 -39.634 13.998 1.00122.22 C ATOM 1719 OG1 THR A 212 -10.558 -40.493 14.881 1.00127.65 O ATOM 1720 CG2 THR A 212 -12.574 -40.373 13.530 1.00120.12 C ATOM 1721 HG1 THR A 212 -9.774 -40.003 15.235 1.00 0.00 H ATOM 1722 HN3 THR A 212 -9.514 -40.974 12.377 1.00 0.00 H ATOM 1723 HN2 THR A 212 -9.570 -39.897 11.064 1.00 0.00 H ATOM 1724 HN1 THR A 212 -10.979 -40.708 11.558 1.00 0.00 H ATOM 1725 N GLU A 213 -8.643 -37.475 12.564 1.00 95.82 N ATOM 1726 CA GLU A 213 -7.526 -36.638 13.037 1.00 88.39 C ATOM 1727 C GLU A 213 -8.090 -35.454 13.834 1.00 74.20 C ATOM 1728 O GLU A 213 -9.104 -34.862 13.458 1.00 71.48 O ATOM 1729 CB GLU A 213 -6.633 -36.139 11.876 1.00 89.07 C ATOM 1730 CG GLU A 213 -6.139 -34.695 12.065 1.00 94.70 C ATOM 1731 CD GLU A 213 -4.732 -34.388 11.531 1.00 96.31 C ATOM 1732 OE1 GLU A 213 -4.493 -34.491 10.300 1.00104.77 O ATOM 1733 OE2 GLU A 213 -3.870 -33.987 12.357 1.00 81.05 O ATOM 1734 H GLU A 213 -9.079 -37.268 11.643 1.00 0.00 H ATOM 1735 N THR A 214 -7.424 -35.110 14.927 1.00 66.43 N ATOM 1736 CA THR A 214 -7.805 -33.918 15.710 1.00 62.30 C ATOM 1737 C THR A 214 -7.302 -32.572 15.049 1.00 52.73 C ATOM 1738 O THR A 214 -6.154 -32.440 14.678 1.00 51.78 O ATOM 1739 CB THR A 214 -7.481 -34.116 17.219 1.00 65.24 C ATOM 1740 OG1 THR A 214 -7.408 -32.855 17.885 1.00 61.95 O ATOM 1741 CG2 THR A 214 -6.183 -34.960 17.476 1.00 73.70 C ATOM 1742 HG1 THR A 214 -7.201 -33.000 18.842 1.00 0.00 H ATOM 1743 H THR A 214 -6.619 -35.690 15.238 1.00 0.00 H ATOM 1744 N VAL A 215 -8.190 -31.611 14.824 1.00 45.54 N ATOM 1745 CA VAL A 215 -7.795 -30.351 14.223 1.00 41.54 C ATOM 1746 C VAL A 215 -7.868 -29.164 15.198 1.00 41.43 C ATOM 1747 O VAL A 215 -8.901 -28.970 15.850 1.00 44.74 O ATOM 1748 CB VAL A 215 -8.736 -30.081 13.055 1.00 43.02 C ATOM 1749 CG1 VAL A 215 -8.528 -28.701 12.487 1.00 39.41 C ATOM 1750 CG2 VAL A 215 -8.549 -31.166 11.989 1.00 45.71 C ATOM 1751 H VAL A 215 -9.186 -31.764 15.083 1.00 0.00 H ATOM 1752 N LEU A 216 -6.822 -28.359 15.302 1.00 35.70 N ATOM 1753 CA LEU A 216 -6.904 -27.101 16.054 1.00 35.78 C ATOM 1754 C LEU A 216 -7.487 -25.985 15.200 1.00 31.43 C ATOM 1755 O LEU A 216 -6.964 -25.715 14.109 1.00 29.20 O ATOM 1756 CB LEU A 216 -5.543 -26.671 16.515 1.00 36.20 C ATOM 1757 CG LEU A 216 -5.474 -25.446 17.388 1.00 40.09 C ATOM 1758 CD1 LEU A 216 -5.966 -25.768 18.793 1.00 41.09 C ATOM 1759 CD2 LEU A 216 -4.029 -25.084 17.563 1.00 48.36 C ATOM 1760 H LEU A 216 -5.927 -28.623 14.843 1.00 0.00 H ATOM 1761 N HIS A 217 -8.563 -25.328 15.660 1.00 30.66 N ATOM 1762 CA HIS A 217 -9.215 -24.218 14.905 1.00 31.79 C ATOM 1763 C HIS A 217 -8.996 -23.006 15.733 1.00 30.51 C ATOM 1764 O HIS A 217 -9.253 -23.031 16.945 1.00 31.80 O ATOM 1765 CB HIS A 217 -10.744 -24.346 14.762 1.00 36.29 C ATOM 1766 CG HIS A 217 -11.195 -25.491 13.920 1.00 45.97 C ATOM 1767 ND1 HIS A 217 -11.330 -25.397 12.543 1.00 55.03 N ATOM 1768 CD2 HIS A 217 -11.566 -26.752 14.246 1.00 51.93 C ATOM 1769 CE1 HIS A 217 -11.725 -26.565 12.060 1.00 52.65 C ATOM 1770 NE2 HIS A 217 -11.909 -27.392 13.074 1.00 53.17 N ATOM 1771 H HIS A 217 -8.959 -25.604 16.581 1.00 0.00 H ATOM 1772 N LEU A 218 -8.625 -21.936 15.072 1.00 30.81 N ATOM 1773 CA LEU A 218 -8.460 -20.619 15.671 1.00 30.54 C ATOM 1774 C LEU A 218 -9.245 -19.662 14.871 1.00 29.16 C ATOM 1775 O LEU A 218 -9.093 -19.600 13.632 1.00 30.76 O ATOM 1776 CB LEU A 218 -7.006 -20.257 15.723 1.00 31.39 C ATOM 1777 CG LEU A 218 -6.785 -18.926 16.505 1.00 43.05 C ATOM 1778 CD1 LEU A 218 -5.385 -18.939 17.114 1.00 44.10 C ATOM 1779 CD2 LEU A 218 -7.004 -17.651 15.651 1.00 42.32 C ATOM 1780 H LEU A 218 -8.436 -22.034 14.054 1.00 0.00 H ATOM 1781 N ARG A 219 -10.093 -18.896 15.542 1.00 29.22 N ATOM 1782 CA ARG A 219 -10.839 -17.842 14.886 1.00 32.49 C ATOM 1783 C ARG A 219 -10.513 -16.526 15.546 1.00 31.23 C ATOM 1784 O ARG A 219 -10.457 -16.415 16.812 1.00 31.46 O ATOM 1785 CB ARG A 219 -12.316 -18.130 14.986 1.00 37.63 C ATOM 1786 CG ARG A 219 -13.173 -17.133 14.227 1.00 43.98 C ATOM 1787 CD ARG A 219 -14.636 -17.548 14.351 1.00 52.90 C ATOM 1788 NE ARG A 219 -15.579 -16.530 13.873 1.00 64.10 N ATOM 1789 CZ ARG A 219 -16.186 -16.510 12.676 1.00 67.10 C ATOM 1790 NH1 ARG A 219 -15.961 -17.457 11.772 1.00 65.41 N ATOM 1791 NH2 ARG A 219 -17.031 -15.517 12.382 1.00 67.38 N ATOM 1792 HE ARG A 219 -15.798 -15.749 14.524 1.00 0.00 H ATOM 1793 HH12 ARG A 219 -16.442 -17.421 10.851 1.00 0.00 H ATOM 1794 HH11 ARG A 219 -15.303 -18.234 11.985 1.00 0.00 H ATOM 1795 HH22 ARG A 219 -17.505 -15.495 11.457 1.00 0.00 H ATOM 1796 HH21 ARG A 219 -17.214 -14.767 13.079 1.00 0.00 H ATOM 1797 H ARG A 219 -10.226 -19.055 16.561 1.00 0.00 H ATOM 1798 N ALA A 220 -10.217 -15.550 14.720 1.00 27.50 N ATOM 1799 CA ALA A 220 -9.959 -14.166 15.162 1.00 30.23 C ATOM 1800 C ALA A 220 -10.732 -13.191 14.238 1.00 32.75 C ATOM 1801 O ALA A 220 -11.203 -13.554 13.191 1.00 31.07 O ATOM 1802 CB ALA A 220 -8.441 -13.848 15.118 1.00 27.46 C ATOM 1803 H ALA A 220 -10.162 -15.763 13.703 1.00 0.00 H ATOM 1804 N VAL A 221 -10.852 -11.958 14.675 1.00 33.09 N ATOM 1805 CA VAL A 221 -11.625 -10.945 14.001 1.00 33.50 C ATOM 1806 C VAL A 221 -10.727 -9.726 13.798 1.00 30.74 C ATOM 1807 O VAL A 221 -9.954 -9.317 14.660 1.00 29.37 O ATOM 1808 CB VAL A 221 -12.874 -10.577 14.813 1.00 40.63 C ATOM 1809 CG1 VAL A 221 -13.607 -9.388 14.178 1.00 41.53 C ATOM 1810 CG2 VAL A 221 -13.803 -11.772 14.917 1.00 39.51 C ATOM 1811 H VAL A 221 -10.363 -11.699 15.555 1.00 0.00 H ATOM 1812 N ALA A 222 -10.824 -9.162 12.625 1.00 30.01 N ATOM 1813 CA ALA A 222 -9.961 -8.079 12.239 1.00 30.87 C ATOM 1814 C ALA A 222 -10.422 -6.802 12.938 1.00 33.13 C ATOM 1815 O ALA A 222 -11.556 -6.349 12.758 1.00 37.52 O ATOM 1816 CB ALA A 222 -9.963 -7.987 10.685 1.00 31.72 C ATOM 1817 H ALA A 222 -11.542 -9.504 11.954 1.00 0.00 H ATOM 1818 N VAL A 223 -9.530 -6.251 13.748 1.00 37.19 N ATOM 1819 CA VAL A 223 -9.709 -4.979 14.423 1.00 40.62 C ATOM 1820 C VAL A 223 -8.418 -4.116 14.334 1.00 42.38 C ATOM 1821 O VAL A 223 -7.466 -4.475 13.664 1.00 42.19 O ATOM 1822 CB VAL A 223 -9.972 -5.230 15.930 1.00 44.19 C ATOM 1823 CG1 VAL A 223 -11.286 -5.990 16.115 1.00 45.55 C ATOM 1824 CG2 VAL A 223 -8.765 -5.952 16.595 1.00 37.51 C ATOM 1825 H VAL A 223 -8.641 -6.765 13.911 1.00 0.00 H ATOM 1826 N ASP A 224 -8.438 -2.977 15.009 1.00 47.75 N ATOM 1827 CA ASP A 224 -7.267 -2.123 15.179 1.00 52.71 C ATOM 1828 C ASP A 224 -6.227 -2.847 16.004 1.00 49.71 C ATOM 1829 O ASP A 224 -6.581 -3.537 16.964 1.00 46.21 O ATOM 1830 CB ASP A 224 -7.632 -0.834 15.962 1.00 52.40 C ATOM 1831 CG ASP A 224 -8.559 0.123 15.171 1.00 62.48 C ATOM 1832 OD1 ASP A 224 -8.851 -0.050 13.940 1.00 63.03 O ATOM 1833 OD2 ASP A 224 -9.012 1.084 15.824 1.00 77.32 O ATOM 1834 H ASP A 224 -9.335 -2.675 15.440 1.00 0.00 H ATOM 1835 N PRO A 225 -4.948 -2.636 15.694 1.00 53.99 N ATOM 1836 CA PRO A 225 -3.837 -3.063 16.571 1.00 57.22 C ATOM 1837 C PRO A 225 -4.036 -2.638 18.052 1.00 56.90 C ATOM 1838 O PRO A 225 -4.591 -1.569 18.262 1.00 50.23 O ATOM 1839 CB PRO A 225 -2.655 -2.291 15.986 1.00 59.71 C ATOM 1840 CG PRO A 225 -2.976 -2.143 14.530 1.00 60.67 C ATOM 1841 CD PRO A 225 -4.465 -2.176 14.379 1.00 58.86 C ATOM 1842 N ARG A 226 -3.647 -3.487 19.019 1.00 55.39 N ATOM 1843 CA ARG A 226 -3.593 -3.173 20.484 1.00 62.88 C ATOM 1844 C ARG A 226 -2.164 -3.250 21.108 1.00 67.64 C ATOM 1845 O ARG A 226 -1.184 -3.465 20.394 1.00 63.81 O ATOM 1846 CB ARG A 226 -4.564 -4.089 21.268 1.00 61.18 C ATOM 1847 CG ARG A 226 -6.035 -3.637 21.178 1.00 66.34 C ATOM 1848 CD ARG A 226 -7.026 -4.647 21.774 1.00 66.67 C ATOM 1849 NE ARG A 226 -7.136 -5.854 20.942 1.00 64.78 N ATOM 1850 CZ ARG A 226 -7.440 -7.094 21.365 1.00 59.23 C ATOM 1851 NH1 ARG A 226 -7.711 -7.377 22.624 1.00 57.07 N ATOM 1852 NH2 ARG A 226 -7.506 -8.075 20.491 1.00 57.64 N ATOM 1853 HE ARG A 226 -6.961 -5.737 19.923 1.00 0.00 H ATOM 1854 HH12 ARG A 226 -7.940 -8.353 22.900 1.00 0.00 H ATOM 1855 HH11 ARG A 226 -7.695 -6.624 23.341 1.00 0.00 H ATOM 1856 HH22 ARG A 226 -7.740 -9.038 20.807 1.00 0.00 H ATOM 1857 HH21 ARG A 226 -7.324 -7.888 19.484 1.00 0.00 H ATOM 1858 H ARG A 226 -3.359 -4.442 18.726 1.00 0.00 H ATOM 1859 N ASP A 227 -2.074 -3.048 22.437 1.00 82.64 N ATOM 1860 CA ASP A 227 -0.849 -3.256 23.289 1.00 88.05 C ATOM 1861 C ASP A 227 -1.093 -4.175 24.505 1.00 85.15 C ATOM 1862 O ASP A 227 -0.729 -5.360 24.527 1.00 76.81 O ATOM 1863 CB ASP A 227 -0.344 -1.919 23.847 1.00 95.21 C ATOM 1864 CG ASP A 227 0.933 -1.440 23.173 1.00 99.17 C ATOM 1865 OD1 ASP A 227 0.876 -1.199 21.942 1.00 94.40 O ATOM 1866 OD2 ASP A 227 1.970 -1.281 23.882 1.00 94.53 O ATOM 1867 H ASP A 227 -2.933 -2.717 22.921 1.00 0.00 H TER 1868 ASP A 227 HETATM 1869 O HOH 1 14.673 -23.302 17.500 1.00 42.76 O HETATM 1870 O HOH 2 3.469 -18.838 19.358 1.00 38.79 O HETATM 1871 O HOH 3 8.365 -29.970 17.901 1.00 46.01 O HETATM 1872 O HOH 4 -14.460 -19.705 -15.776 1.00 40.97 O HETATM 1873 O HOH 5 -6.181 -21.988 3.066 1.00 34.20 O HETATM 1874 O HOH 6 -8.182 -20.439 -14.780 1.00 44.99 O HETATM 1875 O HOH 7 -18.876 -27.516 -4.298 1.00 46.29 O HETATM 1876 O HOH 8 3.638 -8.805 5.500 1.00 43.59 O HETATM 1877 O HOH 9 -20.662 -11.585 3.338 1.00 48.84 O HETATM 1878 O HOH 10 -1.016 -14.999 24.494 1.00 35.27 O HETATM 1879 O HOH 11 9.105 -29.971 5.715 1.00 39.39 O HETATM 1880 O HOH 12 -13.510 -6.152 -1.583 1.00 31.75 O HETATM 1881 O HOH 13 -3.985 -11.812 24.386 1.00 36.17 O HETATM 1882 O HOH 14 -7.546 -17.338 -11.656 1.00 36.10 O HETATM 1883 O HOH 15 -0.792 -7.279 22.636 1.00 51.45 O HETATM 1884 O HOH 16 -19.278 -19.935 -10.284 1.00 37.91 O HETATM 1885 O HOH 17 -11.640 -19.050 -12.681 1.00 49.78 O HETATM 1886 O HOH 18 -21.953 -23.925 -20.054 1.00 54.05 O HETATM 1887 O HOH 19 13.179 -25.898 12.486 1.00 46.57 O HETATM 1888 O HOH 20 -20.089 -17.413 -10.130 1.00 31.13 O HETATM 1889 O HOH 21 11.730 -34.453 12.437 1.00 45.56 O HETATM 1890 O HOH 22 -20.016 -5.377 -10.527 1.00 47.68 O HETATM 1891 O HOH 23 7.929 -11.516 13.906 1.00 40.85 O HETATM 1892 O HOH 24 -1.123 -5.602 11.027 1.00 40.73 O HETATM 1893 O HOH 25 -1.474 -5.374 8.460 1.00 43.27 O HETATM 1894 O HOH 26 -15.571 -14.759 21.947 1.00 51.99 O HETATM 1895 O HOH 27 -25.886 -19.406 -2.668 1.00 43.99 O HETATM 1896 O HOH 28 -1.561 -28.362 -10.973 1.00 55.05 O HETATM 1897 O HOH 29 -10.172 -2.211 12.454 1.00 50.54 O HETATM 1898 O HOH 30 -27.891 -10.380 1.624 1.00 68.92 O HETATM 1899 O HOH 31 10.029 -13.674 9.233 1.00 64.16 O HETATM 1900 O HOH 32 -10.923 -2.152 16.825 1.00 50.22 O HETATM 1901 O HOH 33 -27.232 -17.569 -1.533 1.00 50.63 O HETATM 1902 O HOH 34 -8.850 -19.649 -11.991 1.00 41.48 O HETATM 1903 O HOH 35 3.459 -32.038 -3.475 1.00 66.35 O HETATM 1904 N SAM A 36 -5.156 -25.060 2.148 1.00 0.23 N HETATM 1905 CA SAM A 36 -5.278 -26.237 1.241 1.00 0.03 C HETATM 1906 C SAM A 36 -6.122 -27.360 1.840 1.00 0.08 C HETATM 1907 O SAM A 36 -7.369 -27.259 1.801 1.00 -0.56 O HETATM 1908 OXT SAM A 36 -5.569 -28.362 2.365 1.00 -0.56 O HETATM 1909 CB SAM A 36 -3.899 -26.794 0.825 1.00 0.05 C HETATM 1910 CG SAM A 36 -2.813 -26.625 1.894 1.00 0.12 C HETATM 1911 SD SAM A 36 -1.264 -26.711 1.228 1.00 -0.01 S HETATM 1912 CE SAM A 36 -1.050 -28.363 1.239 1.00 0.10 C HETATM 1913 H9 SAM A 36 -0.060 -28.607 0.825 1.00 0.08 H HETATM 1914 H10 SAM A 36 -1.831 -28.838 0.627 1.00 0.08 H HETATM 1915 H11 SAM A 36 -1.117 -28.735 2.272 1.00 0.08 H HETATM 1916 C5' SAM A 36 -0.172 -25.729 2.074 1.00 0.14 C HETATM 1917 C4' SAM A 36 0.110 -24.464 1.271 1.00 0.14 C HETATM 1918 O4' SAM A 36 0.557 -23.333 2.042 1.00 -0.33 O HETATM 1919 C1' SAM A 36 1.369 -22.595 1.108 1.00 0.20 C HETATM 1920 C2' SAM A 36 2.232 -23.652 0.434 1.00 0.14 C HETATM 1921 C3' SAM A 36 1.230 -24.765 0.264 1.00 0.12 C HETATM 1922 O3' SAM A 36 0.813 -24.778 -1.090 1.00 -0.39 O HETATM 1923 H16 SAM A 36 0.456 -23.928 -1.318 1.00 0.21 H HETATM 1924 H15 SAM A 36 1.685 -25.737 0.505 1.00 0.06 H HETATM 1925 O2' SAM A 36 2.772 -23.178 -0.794 1.00 -0.38 O HETATM 1926 H18 SAM A 36 2.069 -22.846 -1.341 1.00 0.21 H HETATM 1927 H17 SAM A 36 3.060 -23.967 1.086 1.00 0.07 H HETATM 1928 N9 SAM A 36 2.283 -21.563 1.608 1.00 -0.19 N HETATM 1929 C8 SAM A 36 3.426 -21.742 2.302 1.00 0.11 C HETATM 1930 N7 SAM A 36 3.997 -20.580 2.626 1.00 -0.30 N HETATM 1931 C5 SAM A 36 3.163 -19.626 2.153 1.00 0.10 C HETATM 1932 C6 SAM A 36 3.175 -18.202 2.148 1.00 0.13 C HETATM 1933 N6 SAM A 36 4.202 -17.593 2.743 1.00 -0.32 N HETATM 1934 H21 SAM A 36 4.250 -16.564 2.762 1.00 0.18 H HETATM 1935 H22 SAM A 36 4.947 -18.151 3.183 1.00 0.18 H HETATM 1936 N1 SAM A 36 2.147 -17.549 1.602 1.00 -0.27 N HETATM 1937 C2 SAM A 36 1.167 -18.181 1.025 1.00 0.05 C HETATM 1938 N3 SAM A 36 1.051 -19.508 0.981 1.00 -0.27 N HETATM 1939 C4 SAM A 36 2.061 -20.248 1.487 1.00 0.16 C HETATM 1940 H23 SAM A 36 0.394 -17.589 0.549 1.00 0.10 H HETATM 1941 H20 SAM A 36 3.833 -22.717 2.566 1.00 0.13 H HETATM 1942 H19 SAM A 36 0.698 -22.119 0.377 1.00 0.10 H HETATM 1943 H14 SAM A 36 -0.810 -24.184 0.738 1.00 0.07 H HETATM 1944 H12 SAM A 36 0.767 -26.279 2.232 1.00 0.09 H HETATM 1945 H13 SAM A 36 -0.605 -25.455 3.047 1.00 0.09 H HETATM 1946 H7 SAM A 36 -2.924 -27.422 2.644 1.00 0.08 H HETATM 1947 H8 SAM A 36 -2.939 -25.646 2.379 1.00 0.08 H HETATM 1948 H5 SAM A 36 -3.574 -26.269 -0.085 1.00 0.04 H HETATM 1949 H6 SAM A 36 -4.009 -27.867 0.610 1.00 0.04 H HETATM 1950 H4 SAM A 36 -5.787 -25.890 0.330 1.00 0.10 H HETATM 1951 H1 SAM A 36 -4.591 -24.352 1.705 1.00 0.20 H HETATM 1952 H2 SAM A 36 -4.721 -25.345 3.012 1.00 0.20 H HETATM 1953 H3 SAM A 36 -6.073 -24.687 2.340 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1714 1715 1722 1723 1724 CONECT 1722 1714 CONECT 1723 1714 CONECT 1724 1714 CONECT 1904 1905 1951 1952 1953 CONECT 1905 1904 1906 1909 1950 CONECT 1906 1905 1907 1908 CONECT 1907 1906 CONECT 1908 1906 CONECT 1909 1905 1910 1948 1949 CONECT 1910 1909 1911 1946 1947 CONECT 1911 1910 1912 1916 CONECT 1912 1911 1913 1914 1915 CONECT 1913 1912 CONECT 1914 1912 CONECT 1915 1912 CONECT 1916 1911 1917 1944 1945 CONECT 1917 1916 1918 1921 1943 CONECT 1918 1917 1919 CONECT 1919 1918 1920 1928 1942 CONECT 1920 1919 1921 1925 1927 CONECT 1921 1917 1920 1922 1924 CONECT 1922 1921 1923 CONECT 1923 1922 CONECT 1924 1921 CONECT 1925 1920 1926 CONECT 1926 1925 CONECT 1927 1920 CONECT 1928 1919 1929 1939 CONECT 1929 1928 1930 1941 CONECT 1930 1929 1931 CONECT 1931 1930 1932 1939 CONECT 1932 1931 1933 1936 CONECT 1933 1932 1934 1935 CONECT 1934 1933 CONECT 1935 1933 CONECT 1936 1932 1937 CONECT 1937 1936 1938 1940 CONECT 1938 1937 1939 CONECT 1939 1928 1931 1938 CONECT 1940 1937 CONECT 1941 1929 CONECT 1942 1919 CONECT 1943 1917 CONECT 1944 1916 CONECT 1945 1916 CONECT 1946 1910 CONECT 1947 1910 CONECT 1948 1909 CONECT 1949 1909 CONECT 1950 1905 CONECT 1951 1904 CONECT 1952 1904 CONECT 1953 1904 MASTER 0 0 0 0 0 0 0 0 1951 2 58 17 END
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Protein Sequence Similarity
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267aa, >5D1N_1|Chain... at 99%
Complexes with the same small molecule ligand
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Ligand Name
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SAM
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Entry Information
PDB ID
5bw4
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
16S rRNA (adenine(1408)-N(1))-methyltransferase W203A mutant
Ligand Name
SAM
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=68uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nucleic Acids Res. Vol. 44: pp. 342-353
Ligand Properties
Formula
C
1
5
H
2
4
N
6
O
5
S
Molecular Weight
400.453
Exact Mass
400.153
No. of atoms
51
No. of bonds
53
Polar Surface Area
209.55
LOGP Value
-3.46 (
Computed with XLOGP3
)
-1.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
Canonical SMILES
C[S@](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)[NH3+]
InChI String
InChI=1S/C15H23N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,18,19)/p+1/t7-,8+,10+,11+,14+/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):
C7Q5P8
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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