ATOM 1 N SER A 1 18.905 -10.125 8.506 1.00 13.98 N ATOM 2 CA SER A 1 19.730 -9.538 7.433 1.00 13.45 C ATOM 3 C SER A 1 20.507 -8.331 7.947 1.00 12.78 C ATOM 4 O SER A 1 19.924 -7.294 8.270 1.00 12.80 O ATOM 5 CB SER A 1 18.835 -9.121 6.267 1.00 13.72 C ATOM 6 OG SER A 1 18.066 -10.216 5.796 1.00 13.92 O ATOM 7 H1 SER A 1 19.507 -10.432 9.295 1.00 14.17 H ATOM 8 H2 SER A 1 18.383 -10.946 8.143 1.00 14.21 H ATOM 9 H3 SER A 1 18.225 -9.423 8.855 1.00 14.10 H ATOM 10 HA SER A 1 20.430 -10.286 7.093 1.00 13.54 H ATOM 11 HB2 SER A 1 18.164 -8.339 6.592 1.00 13.98 H ATOM 12 HB3 SER A 1 19.450 -8.754 5.460 1.00 13.69 H ATOM 13 HG SER A 1 17.198 -9.900 5.513 1.00 14.13 H ATOM 14 N SER A 2 21.818 -8.475 8.039 1.00 12.37 N ATOM 15 CA SER A 2 22.681 -7.375 8.443 1.00 11.90 C ATOM 16 C SER A 2 23.788 -7.174 7.415 1.00 11.16 C ATOM 17 O SER A 2 23.881 -6.124 6.779 1.00 10.96 O ATOM 18 CB SER A 2 23.266 -7.649 9.831 1.00 12.38 C ATOM 19 OG SER A 2 23.850 -8.940 9.890 1.00 12.75 O ATOM 20 H SER A 2 22.221 -9.348 7.835 1.00 12.52 H ATOM 21 HA SER A 2 22.077 -6.479 8.485 1.00 11.92 H ATOM 22 HB2 SER A 2 24.027 -6.916 10.053 1.00 12.43 H ATOM 23 HB3 SER A 2 22.480 -7.588 10.570 1.00 12.60 H ATOM 24 HG SER A 2 24.328 -9.037 10.723 1.00 12.85 H ATOM 25 N THR A 3 24.612 -8.197 7.245 1.00 10.95 N ATOM 26 CA THR A 3 25.668 -8.170 6.248 1.00 10.45 C ATOM 27 C THR A 3 25.177 -8.772 4.937 1.00 9.78 C ATOM 28 O THR A 3 25.605 -8.376 3.851 1.00 9.89 O ATOM 29 CB THR A 3 26.901 -8.946 6.739 1.00 10.84 C ATOM 30 OG1 THR A 3 26.486 -10.179 7.347 1.00 11.27 O ATOM 31 CG2 THR A 3 27.703 -8.124 7.737 1.00 11.35 C ATOM 32 H THR A 3 24.513 -8.990 7.816 1.00 11.28 H ATOM 33 HA THR A 3 25.952 -7.144 6.082 1.00 10.45 H ATOM 34 HB THR A 3 27.530 -9.166 5.889 1.00 10.60 H ATOM 35 HG1 THR A 3 26.880 -10.920 6.868 1.00 11.39 H ATOM 36 HG21 THR A 3 28.566 -8.689 8.058 1.00 11.48 H ATOM 37 HG22 THR A 3 27.087 -7.894 8.594 1.00 11.60 H ATOM 38 HG23 THR A 3 28.028 -7.206 7.270 1.00 11.53 H ATOM 39 N HIS A 4 24.264 -9.724 5.050 1.00 9.21 N ATOM 40 CA HIS A 4 23.702 -10.391 3.891 1.00 8.59 C ATOM 41 C HIS A 4 22.200 -10.144 3.824 1.00 7.91 C ATOM 42 O HIS A 4 21.458 -10.581 4.702 1.00 7.96 O ATOM 43 CB HIS A 4 23.989 -11.894 3.963 1.00 8.85 C ATOM 44 CG HIS A 4 23.530 -12.672 2.767 1.00 9.20 C ATOM 45 ND1 HIS A 4 24.372 -13.042 1.743 1.00 9.92 N ATOM 46 CD2 HIS A 4 22.313 -13.172 2.447 1.00 9.14 C ATOM 47 CE1 HIS A 4 23.695 -13.735 0.847 1.00 10.28 C ATOM 48 NE2 HIS A 4 22.444 -13.829 1.251 1.00 9.84 N ATOM 49 H HIS A 4 23.959 -9.987 5.946 1.00 9.30 H ATOM 50 HA HIS A 4 24.170 -9.982 3.008 1.00 8.55 H ATOM 51 HB2 HIS A 4 25.051 -12.045 4.067 1.00 8.78 H ATOM 52 HB3 HIS A 4 23.491 -12.299 4.831 1.00 9.10 H ATOM 53 HD1 HIS A 4 25.330 -12.829 1.683 1.00 10.22 H ATOM 54 HD2 HIS A 4 21.407 -13.073 3.026 1.00 8.74 H ATOM 55 HE1 HIS A 4 24.097 -14.150 -0.064 1.00 10.94 H ATOM 56 HE2 HIS A 4 21.699 -14.155 0.699 1.00 10.10 H ATOM 57 N PRO A 5 21.735 -9.441 2.785 1.00 7.46 N ATOM 58 CA PRO A 5 20.312 -9.172 2.599 1.00 6.96 C ATOM 59 C PRO A 5 19.567 -10.404 2.094 1.00 6.36 C ATOM 60 O PRO A 5 19.842 -10.903 1.003 1.00 5.90 O ATOM 61 CB PRO A 5 20.295 -8.062 1.546 1.00 6.99 C ATOM 62 CG PRO A 5 21.552 -8.257 0.764 1.00 7.21 C ATOM 63 CD PRO A 5 22.561 -8.859 1.709 1.00 7.63 C ATOM 64 HA PRO A 5 19.849 -8.821 3.510 1.00 7.21 H ATOM 65 HB2 PRO A 5 19.420 -8.171 0.920 1.00 6.61 H ATOM 66 HB3 PRO A 5 20.277 -7.098 2.033 1.00 7.42 H ATOM 67 HG2 PRO A 5 21.367 -8.928 -0.061 1.00 6.88 H ATOM 68 HG3 PRO A 5 21.907 -7.304 0.397 1.00 7.59 H ATOM 69 HD2 PRO A 5 23.132 -9.626 1.208 1.00 7.65 H ATOM 70 HD3 PRO A 5 23.217 -8.094 2.099 1.00 8.15 H ATOM 71 N VAL A 6 18.641 -10.908 2.896 1.00 6.54 N ATOM 72 CA VAL A 6 17.867 -12.078 2.515 1.00 6.20 C ATOM 73 C VAL A 6 16.595 -11.645 1.787 1.00 5.73 C ATOM 74 O VAL A 6 15.478 -11.849 2.262 1.00 5.26 O ATOM 75 CB VAL A 6 17.501 -12.945 3.743 1.00 6.06 C ATOM 76 CG1 VAL A 6 16.887 -14.268 3.311 1.00 6.03 C ATOM 77 CG2 VAL A 6 18.725 -13.191 4.613 1.00 6.65 C ATOM 78 H VAL A 6 18.472 -10.479 3.763 1.00 7.04 H ATOM 79 HA VAL A 6 18.467 -12.672 1.844 1.00 6.58 H ATOM 80 HB VAL A 6 16.771 -12.411 4.330 1.00 5.75 H ATOM 81 HG11 VAL A 6 17.588 -14.805 2.690 1.00 6.31 H ATOM 82 HG12 VAL A 6 15.982 -14.078 2.751 1.00 6.11 H ATOM 83 HG13 VAL A 6 16.653 -14.857 4.184 1.00 5.95 H ATOM 84 HG21 VAL A 6 19.478 -13.708 4.037 1.00 6.89 H ATOM 85 HG22 VAL A 6 18.446 -13.793 5.464 1.00 6.89 H ATOM 86 HG23 VAL A 6 19.120 -12.246 4.954 1.00 6.84 H ATOM 87 N PHE A 7 16.773 -11.018 0.634 1.00 6.03 N ATOM 88 CA PHE A 7 15.644 -10.563 -0.161 1.00 5.88 C ATOM 89 C PHE A 7 15.212 -11.632 -1.151 1.00 5.46 C ATOM 90 O PHE A 7 14.076 -11.627 -1.625 1.00 5.70 O ATOM 91 CB PHE A 7 15.973 -9.266 -0.904 1.00 5.99 C ATOM 92 CG PHE A 7 16.053 -8.057 -0.014 1.00 5.82 C ATOM 93 CD1 PHE A 7 15.043 -7.780 0.892 1.00 5.86 C ATOM 94 CD2 PHE A 7 17.126 -7.187 -0.101 1.00 6.35 C ATOM 95 CE1 PHE A 7 15.102 -6.661 1.697 1.00 6.46 C ATOM 96 CE2 PHE A 7 17.194 -6.066 0.704 1.00 6.91 C ATOM 97 CZ PHE A 7 16.181 -5.802 1.604 1.00 7.27 C ATOM 98 H PHE A 7 17.688 -10.859 0.313 1.00 6.48 H ATOM 99 HA PHE A 7 14.826 -10.377 0.519 1.00 6.35 H ATOM 100 HB2 PHE A 7 16.926 -9.375 -1.397 1.00 6.24 H ATOM 101 HB3 PHE A 7 15.212 -9.084 -1.646 1.00 6.02 H ATOM 102 HD1 PHE A 7 14.201 -8.452 0.972 1.00 5.61 H ATOM 103 HD2 PHE A 7 17.919 -7.392 -0.805 1.00 6.51 H ATOM 104 HE1 PHE A 7 14.307 -6.458 2.398 1.00 6.68 H ATOM 105 HE2 PHE A 7 18.038 -5.397 0.630 1.00 7.44 H ATOM 106 HZ PHE A 7 16.232 -4.924 2.233 1.00 7.84 H ATOM 107 N HIS A 8 16.109 -12.568 -1.434 1.00 5.22 N ATOM 108 CA HIS A 8 15.819 -13.651 -2.368 1.00 5.26 C ATOM 109 C HIS A 8 14.851 -14.648 -1.737 1.00 4.90 C ATOM 110 O HIS A 8 14.415 -15.607 -2.370 1.00 5.20 O ATOM 111 CB HIS A 8 17.117 -14.340 -2.803 1.00 5.76 C ATOM 112 CG HIS A 8 16.964 -15.233 -3.999 1.00 6.40 C ATOM 113 ND1 HIS A 8 16.876 -14.748 -5.285 1.00 6.97 N ATOM 114 CD2 HIS A 8 16.900 -16.581 -4.103 1.00 6.87 C ATOM 115 CE1 HIS A 8 16.767 -15.761 -6.127 1.00 7.72 C ATOM 116 NE2 HIS A 8 16.778 -16.884 -5.435 1.00 7.69 N ATOM 117 H HIS A 8 16.995 -12.525 -1.012 1.00 5.31 H ATOM 118 HA HIS A 8 15.344 -13.217 -3.235 1.00 5.57 H ATOM 119 HB2 HIS A 8 17.851 -13.586 -3.046 1.00 5.99 H ATOM 120 HB3 HIS A 8 17.488 -14.940 -1.985 1.00 5.81 H ATOM 121 HD1 HIS A 8 16.884 -13.798 -5.543 1.00 7.00 H ATOM 122 HD2 HIS A 8 16.940 -17.290 -3.288 1.00 6.81 H ATOM 123 HE1 HIS A 8 16.682 -15.682 -7.199 1.00 8.41 H ATOM 124 HE2 HIS A 8 16.913 -17.776 -5.823 1.00 8.32 H ATOM 125 N MET A 9 14.524 -14.410 -0.477 1.00 4.58 N ATOM 126 CA MET A 9 13.497 -15.169 0.216 1.00 4.41 C ATOM 127 C MET A 9 12.642 -14.217 1.040 1.00 4.21 C ATOM 128 O MET A 9 12.118 -14.577 2.096 1.00 4.56 O ATOM 129 CB MET A 9 14.117 -16.252 1.110 1.00 4.56 C ATOM 130 CG MET A 9 14.803 -17.371 0.336 1.00 4.76 C ATOM 131 SD MET A 9 15.428 -18.681 1.404 1.00 5.15 S ATOM 132 CE MET A 9 16.652 -17.782 2.356 1.00 5.34 C ATOM 133 H MET A 9 14.988 -13.691 0.003 1.00 4.71 H ATOM 134 HA MET A 9 12.873 -15.637 -0.530 1.00 4.60 H ATOM 135 HB2 MET A 9 14.851 -15.791 1.756 1.00 4.62 H ATOM 136 HB3 MET A 9 13.340 -16.689 1.720 1.00 4.89 H ATOM 137 HG2 MET A 9 14.095 -17.802 -0.355 1.00 5.03 H ATOM 138 HG3 MET A 9 15.631 -16.953 -0.216 1.00 4.79 H ATOM 139 HE1 MET A 9 16.171 -16.980 2.893 1.00 5.52 H ATOM 140 HE2 MET A 9 17.399 -17.375 1.690 1.00 5.48 H ATOM 141 HE3 MET A 9 17.126 -18.453 3.058 1.00 5.62 H ATOM 142 N GLY A 10 12.517 -12.990 0.543 1.00 3.95 N ATOM 143 CA GLY A 10 11.758 -11.969 1.244 1.00 3.98 C ATOM 144 C GLY A 10 10.982 -11.075 0.297 1.00 3.45 C ATOM 145 O GLY A 10 9.869 -10.653 0.605 1.00 3.58 O ATOM 146 H GLY A 10 12.937 -12.781 -0.320 1.00 3.94 H ATOM 147 HA2 GLY A 10 11.064 -12.449 1.917 1.00 4.34 H ATOM 148 HA3 GLY A 10 12.438 -11.360 1.821 1.00 4.39 H ATOM 149 N GLU A 11 11.565 -10.789 -0.860 1.00 3.27 N ATOM 150 CA GLU A 11 10.902 -9.975 -1.874 1.00 3.03 C ATOM 151 C GLU A 11 10.235 -10.864 -2.915 1.00 2.72 C ATOM 152 O GLU A 11 10.252 -10.570 -4.109 1.00 2.91 O ATOM 153 CB GLU A 11 11.903 -9.035 -2.552 1.00 3.44 C ATOM 154 CG GLU A 11 12.452 -7.956 -1.631 1.00 3.88 C ATOM 155 CD GLU A 11 11.388 -6.979 -1.175 1.00 4.23 C ATOM 156 OE1 GLU A 11 10.667 -7.282 -0.203 1.00 4.63 O ATOM 157 OE2 GLU A 11 11.274 -5.898 -1.784 1.00 4.56 O1+ ATOM 158 H GLU A 11 12.467 -11.131 -1.040 1.00 3.61 H ATOM 159 HA GLU A 11 10.141 -9.387 -1.382 1.00 3.06 H ATOM 160 HB2 GLU A 11 12.735 -9.621 -2.921 1.00 3.62 H ATOM 161 HB3 GLU A 11 11.415 -8.551 -3.389 1.00 3.72 H ATOM 162 HG2 GLU A 11 12.886 -8.426 -0.760 1.00 4.10 H ATOM 163 HG3 GLU A 11 13.218 -7.408 -2.161 1.00 4.23 H ATOM 164 N PHE A 12 9.662 -11.962 -2.451 1.00 2.45 N ATOM 165 CA PHE A 12 8.964 -12.889 -3.327 1.00 2.25 C ATOM 166 C PHE A 12 7.471 -12.842 -3.055 1.00 1.95 C ATOM 167 O PHE A 12 6.984 -13.425 -2.089 1.00 2.28 O ATOM 168 CB PHE A 12 9.500 -14.315 -3.155 1.00 2.42 C ATOM 169 CG PHE A 12 10.726 -14.606 -3.977 1.00 2.80 C ATOM 170 CD1 PHE A 12 11.854 -13.798 -3.900 1.00 3.08 C ATOM 171 CD2 PHE A 12 10.746 -15.693 -4.835 1.00 3.13 C ATOM 172 CE1 PHE A 12 12.970 -14.073 -4.666 1.00 3.48 C ATOM 173 CE2 PHE A 12 11.863 -15.971 -5.600 1.00 3.56 C ATOM 174 CZ PHE A 12 12.975 -15.159 -5.516 1.00 3.65 C ATOM 175 H PHE A 12 9.694 -12.145 -1.489 1.00 2.53 H ATOM 176 HA PHE A 12 9.140 -12.570 -4.345 1.00 2.41 H ATOM 177 HB2 PHE A 12 9.748 -14.478 -2.116 1.00 2.45 H ATOM 178 HB3 PHE A 12 8.730 -15.016 -3.449 1.00 2.40 H ATOM 179 HD1 PHE A 12 11.855 -12.948 -3.235 1.00 3.16 H ATOM 180 HD2 PHE A 12 9.878 -16.329 -4.904 1.00 3.21 H ATOM 181 HE1 PHE A 12 13.839 -13.436 -4.597 1.00 3.80 H ATOM 182 HE2 PHE A 12 11.863 -16.821 -6.265 1.00 3.96 H ATOM 183 HZ PHE A 12 13.847 -15.374 -6.114 1.00 4.02 H ATOM 184 N SER A 13 6.758 -12.132 -3.909 1.00 1.75 N ATOM 185 CA SER A 13 5.323 -11.965 -3.756 1.00 1.60 C ATOM 186 C SER A 13 4.578 -13.075 -4.496 1.00 1.44 C ATOM 187 O SER A 13 5.108 -13.688 -5.428 1.00 1.57 O ATOM 188 CB SER A 13 4.896 -10.591 -4.287 1.00 1.90 C ATOM 189 OG SER A 13 3.507 -10.371 -4.095 1.00 2.42 O ATOM 190 H SER A 13 7.207 -11.712 -4.671 1.00 2.00 H ATOM 191 HA SER A 13 5.091 -12.027 -2.704 1.00 1.60 H ATOM 192 HB2 SER A 13 5.444 -9.819 -3.768 1.00 2.46 H ATOM 193 HB3 SER A 13 5.112 -10.531 -5.342 1.00 1.95 H ATOM 194 HG SER A 13 3.235 -9.599 -4.601 1.00 2.58 H ATOM 195 N VAL A 14 3.349 -13.332 -4.059 1.00 1.28 N ATOM 196 CA VAL A 14 2.506 -14.358 -4.661 1.00 1.25 C ATOM 197 C VAL A 14 1.942 -13.888 -5.998 1.00 1.26 C ATOM 198 O VAL A 14 1.487 -14.692 -6.808 1.00 1.41 O ATOM 199 CB VAL A 14 1.339 -14.754 -3.728 1.00 1.25 C ATOM 200 CG1 VAL A 14 1.863 -15.411 -2.463 1.00 1.39 C ATOM 201 CG2 VAL A 14 0.479 -13.544 -3.382 1.00 1.24 C ATOM 202 H VAL A 14 3.000 -12.812 -3.305 1.00 1.30 H ATOM 203 HA VAL A 14 3.118 -15.234 -4.830 1.00 1.38 H ATOM 204 HB VAL A 14 0.719 -15.469 -4.247 1.00 1.32 H ATOM 205 HG11 VAL A 14 1.036 -15.647 -1.811 1.00 1.71 H ATOM 206 HG12 VAL A 14 2.536 -14.733 -1.958 1.00 1.71 H ATOM 207 HG13 VAL A 14 2.390 -16.318 -2.719 1.00 1.80 H ATOM 208 HG21 VAL A 14 -0.353 -13.859 -2.768 1.00 1.67 H ATOM 209 HG22 VAL A 14 0.107 -13.095 -4.290 1.00 1.50 H ATOM 210 HG23 VAL A 14 1.071 -12.822 -2.840 1.00 1.68 H ATOM 211 N CYS A 15 1.979 -12.581 -6.216 1.00 1.22 N ATOM 212 CA CYS A 15 1.483 -11.992 -7.449 1.00 1.33 C ATOM 213 C CYS A 15 2.492 -10.988 -7.987 1.00 1.39 C ATOM 214 O CYS A 15 3.264 -10.404 -7.220 1.00 1.49 O ATOM 215 CB CYS A 15 0.136 -11.303 -7.207 1.00 1.35 C ATOM 216 SG CYS A 15 -0.631 -10.620 -8.711 1.00 1.75 S ATOM 217 H CYS A 15 2.359 -11.996 -5.529 1.00 1.21 H ATOM 218 HA CYS A 15 1.354 -12.784 -8.172 1.00 1.46 H ATOM 219 HB2 CYS A 15 -0.554 -12.019 -6.782 1.00 1.72 H ATOM 220 HB3 CYS A 15 0.278 -10.486 -6.510 1.00 1.63 H ATOM 221 N ASP A 16 2.495 -10.795 -9.297 1.00 1.53 N ATOM 222 CA ASP A 16 3.424 -9.864 -9.927 1.00 1.63 C ATOM 223 C ASP A 16 2.752 -8.507 -10.106 1.00 1.54 C ATOM 224 O ASP A 16 1.772 -8.377 -10.841 1.00 1.55 O ATOM 225 CB ASP A 16 3.911 -10.411 -11.274 1.00 1.87 C ATOM 226 CG ASP A 16 5.013 -9.570 -11.898 1.00 2.23 C ATOM 227 OD1 ASP A 16 5.067 -9.495 -13.144 1.00 2.54 O ATOM 228 OD2 ASP A 16 5.837 -9.000 -11.151 1.00 2.87 O1+ ATOM 229 H ASP A 16 1.846 -11.276 -9.852 1.00 1.68 H ATOM 230 HA ASP A 16 4.268 -9.746 -9.266 1.00 1.64 H ATOM 231 HB2 ASP A 16 4.289 -11.413 -11.135 1.00 2.18 H ATOM 232 HB3 ASP A 16 3.079 -10.440 -11.964 1.00 1.93 H ATOM 233 N SER A 17 3.278 -7.504 -9.423 1.00 1.51 N ATOM 234 CA SER A 17 2.659 -6.188 -9.397 1.00 1.43 C ATOM 235 C SER A 17 3.622 -5.115 -9.890 1.00 1.41 C ATOM 236 O SER A 17 4.837 -5.325 -9.924 1.00 1.52 O ATOM 237 CB SER A 17 2.215 -5.868 -7.970 1.00 1.41 C ATOM 238 OG SER A 17 1.405 -6.906 -7.447 1.00 1.72 O ATOM 239 H SER A 17 4.113 -7.649 -8.925 1.00 1.56 H ATOM 240 HA SER A 17 1.795 -6.210 -10.041 1.00 1.44 H ATOM 241 HB2 SER A 17 3.087 -5.757 -7.340 1.00 1.72 H ATOM 242 HB3 SER A 17 1.648 -4.946 -7.970 1.00 1.57 H ATOM 243 HG SER A 17 1.622 -7.734 -7.889 1.00 1.91 H ATOM 244 N VAL A 18 3.078 -3.974 -10.286 1.00 1.34 N ATOM 245 CA VAL A 18 3.892 -2.839 -10.688 1.00 1.35 C ATOM 246 C VAL A 18 3.504 -1.589 -9.898 1.00 1.21 C ATOM 247 O VAL A 18 2.373 -1.112 -9.984 1.00 1.13 O ATOM 248 CB VAL A 18 3.785 -2.572 -12.208 1.00 1.46 C ATOM 249 CG1 VAL A 18 2.335 -2.462 -12.655 1.00 1.43 C ATOM 250 CG2 VAL A 18 4.564 -1.326 -12.596 1.00 1.51 C ATOM 251 H VAL A 18 2.094 -3.890 -10.319 1.00 1.30 H ATOM 252 HA VAL A 18 4.920 -3.084 -10.462 1.00 1.44 H ATOM 253 HB VAL A 18 4.224 -3.410 -12.723 1.00 1.57 H ATOM 254 HG11 VAL A 18 2.300 -2.262 -13.715 1.00 1.78 H ATOM 255 HG12 VAL A 18 1.852 -1.657 -12.119 1.00 1.77 H ATOM 256 HG13 VAL A 18 1.823 -3.391 -12.447 1.00 1.72 H ATOM 257 HG21 VAL A 18 4.433 -1.133 -13.650 1.00 1.82 H ATOM 258 HG22 VAL A 18 5.614 -1.478 -12.386 1.00 1.79 H ATOM 259 HG23 VAL A 18 4.202 -0.484 -12.027 1.00 1.88 H ATOM 260 N SER A 19 4.435 -1.083 -9.103 1.00 1.23 N ATOM 261 CA SER A 19 4.204 0.133 -8.340 1.00 1.14 C ATOM 262 C SER A 19 4.736 1.341 -9.102 1.00 1.11 C ATOM 263 O SER A 19 5.924 1.409 -9.431 1.00 1.20 O ATOM 264 CB SER A 19 4.863 0.036 -6.960 1.00 1.27 C ATOM 265 OG SER A 19 4.349 -1.068 -6.231 1.00 1.66 O ATOM 266 H SER A 19 5.302 -1.537 -9.028 1.00 1.34 H ATOM 267 HA SER A 19 3.137 0.246 -8.214 1.00 1.07 H ATOM 268 HB2 SER A 19 5.930 -0.092 -7.080 1.00 1.63 H ATOM 269 HB3 SER A 19 4.669 0.942 -6.403 1.00 1.54 H ATOM 270 HG SER A 19 3.452 -0.860 -5.923 1.00 1.95 H ATOM 271 N VAL A 20 3.854 2.280 -9.388 1.00 1.01 N ATOM 272 CA VAL A 20 4.207 3.456 -10.162 1.00 0.99 C ATOM 273 C VAL A 20 3.980 4.717 -9.345 1.00 0.95 C ATOM 274 O VAL A 20 2.985 4.833 -8.638 1.00 0.90 O ATOM 275 CB VAL A 20 3.361 3.538 -11.451 1.00 0.95 C ATOM 276 CG1 VAL A 20 3.770 4.728 -12.301 1.00 0.98 C ATOM 277 CG2 VAL A 20 3.461 2.248 -12.246 1.00 1.03 C ATOM 278 H VAL A 20 2.925 2.177 -9.075 1.00 0.97 H ATOM 279 HA VAL A 20 5.248 3.386 -10.436 1.00 1.08 H ATOM 280 HB VAL A 20 2.330 3.676 -11.166 1.00 0.89 H ATOM 281 HG11 VAL A 20 4.816 4.647 -12.552 1.00 1.54 H ATOM 282 HG12 VAL A 20 3.600 5.640 -11.746 1.00 1.34 H ATOM 283 HG13 VAL A 20 3.182 4.744 -13.207 1.00 1.37 H ATOM 284 HG21 VAL A 20 2.861 2.327 -13.140 1.00 1.48 H ATOM 285 HG22 VAL A 20 3.102 1.428 -11.642 1.00 1.55 H ATOM 286 HG23 VAL A 20 4.491 2.071 -12.518 1.00 1.35 H ATOM 287 N TRP A 21 4.910 5.651 -9.434 1.00 1.02 N ATOM 288 CA TRP A 21 4.741 6.947 -8.806 1.00 1.01 C ATOM 289 C TRP A 21 4.190 7.922 -9.832 1.00 0.96 C ATOM 290 O TRP A 21 4.932 8.515 -10.617 1.00 1.02 O ATOM 291 CB TRP A 21 6.062 7.454 -8.225 1.00 1.15 C ATOM 292 CG TRP A 21 6.539 6.643 -7.055 1.00 1.23 C ATOM 293 CD1 TRP A 21 7.386 5.569 -7.088 1.00 1.45 C ATOM 294 CD2 TRP A 21 6.188 6.835 -5.678 1.00 1.24 C ATOM 295 NE1 TRP A 21 7.586 5.089 -5.816 1.00 1.61 N ATOM 296 CE2 TRP A 21 6.861 5.847 -4.934 1.00 1.44 C ATOM 297 CE3 TRP A 21 5.372 7.748 -5.000 1.00 1.26 C ATOM 298 CZ2 TRP A 21 6.740 5.743 -3.551 1.00 1.54 C ATOM 299 CZ3 TRP A 21 5.255 7.645 -3.626 1.00 1.35 C ATOM 300 CH2 TRP A 21 5.935 6.651 -2.915 1.00 1.44 C ATOM 301 H TRP A 21 5.722 5.468 -9.949 1.00 1.11 H ATOM 302 HA TRP A 21 4.020 6.834 -8.007 1.00 0.98 H ATOM 303 HB2 TRP A 21 6.824 7.420 -8.990 1.00 1.19 H ATOM 304 HB3 TRP A 21 5.936 8.475 -7.896 1.00 1.29 H ATOM 305 HD1 TRP A 21 7.830 5.171 -7.989 1.00 1.57 H ATOM 306 HE1 TRP A 21 8.156 4.321 -5.579 1.00 1.86 H ATOM 307 HE3 TRP A 21 4.838 8.523 -5.531 1.00 1.31 H ATOM 308 HZ2 TRP A 21 7.258 4.984 -2.986 1.00 1.76 H ATOM 309 HZ3 TRP A 21 4.627 8.341 -3.086 1.00 1.46 H ATOM 310 HH2 TRP A 21 5.812 6.609 -1.842 1.00 1.54 H ATOM 311 N VAL A 22 2.881 8.073 -9.814 1.00 0.88 N ATOM 312 CA VAL A 22 2.177 8.847 -10.813 1.00 0.86 C ATOM 313 C VAL A 22 2.079 10.310 -10.412 1.00 0.94 C ATOM 314 O VAL A 22 1.567 10.637 -9.341 1.00 0.96 O ATOM 315 CB VAL A 22 0.761 8.282 -11.035 1.00 0.81 C ATOM 316 CG1 VAL A 22 -0.004 9.096 -12.062 1.00 0.85 C ATOM 317 CG2 VAL A 22 0.835 6.826 -11.458 1.00 0.81 C ATOM 318 H VAL A 22 2.362 7.640 -9.097 1.00 0.85 H ATOM 319 HA VAL A 22 2.723 8.771 -11.744 1.00 0.90 H ATOM 320 HB VAL A 22 0.227 8.333 -10.100 1.00 0.82 H ATOM 321 HG11 VAL A 22 -0.119 10.109 -11.705 1.00 1.41 H ATOM 322 HG12 VAL A 22 -0.978 8.657 -12.216 1.00 1.25 H ATOM 323 HG13 VAL A 22 0.540 9.103 -12.995 1.00 1.33 H ATOM 324 HG21 VAL A 22 1.345 6.254 -10.695 1.00 1.38 H ATOM 325 HG22 VAL A 22 1.376 6.747 -12.388 1.00 1.27 H ATOM 326 HG23 VAL A 22 -0.164 6.439 -11.588 1.00 1.27 H ATOM 327 N GLY A 23 2.589 11.175 -11.271 1.00 1.04 N ATOM 328 CA GLY A 23 2.441 12.600 -11.073 1.00 1.18 C ATOM 329 C GLY A 23 1.701 13.231 -12.233 1.00 1.12 C ATOM 330 O GLY A 23 1.862 14.418 -12.519 1.00 1.27 O ATOM 331 H GLY A 23 3.082 10.841 -12.051 1.00 1.08 H ATOM 332 HA2 GLY A 23 1.888 12.776 -10.159 1.00 1.30 H ATOM 333 HA3 GLY A 23 3.420 13.052 -10.993 1.00 1.36 H ATOM 334 N ASP A 24 0.901 12.419 -12.917 1.00 1.12 N ATOM 335 CA ASP A 24 0.154 12.873 -14.085 1.00 1.30 C ATOM 336 C ASP A 24 -1.318 12.481 -13.990 1.00 1.10 C ATOM 337 O ASP A 24 -2.047 12.521 -14.981 1.00 1.31 O ATOM 338 CB ASP A 24 0.763 12.288 -15.369 1.00 1.66 C ATOM 339 CG ASP A 24 0.694 10.772 -15.415 1.00 2.34 C ATOM 340 OD1 ASP A 24 -0.284 10.231 -15.962 1.00 3.02 O ATOM 341 OD2 ASP A 24 1.630 10.112 -14.909 1.00 2.89 O1+ ATOM 342 H ASP A 24 0.824 11.482 -12.636 1.00 1.15 H ATOM 343 HA ASP A 24 0.225 13.950 -14.122 1.00 1.50 H ATOM 344 HB2 ASP A 24 0.226 12.677 -16.223 1.00 1.99 H ATOM 345 HB3 ASP A 24 1.801 12.584 -15.435 1.00 1.92 H ATOM 346 N LYS A 25 -1.757 12.108 -12.793 1.00 0.92 N ATOM 347 CA LYS A 25 -3.148 11.727 -12.582 1.00 0.84 C ATOM 348 C LYS A 25 -4.040 12.961 -12.685 1.00 0.91 C ATOM 349 O LYS A 25 -3.788 13.967 -12.024 1.00 1.32 O ATOM 350 CB LYS A 25 -3.314 11.058 -11.213 1.00 0.83 C ATOM 351 CG LYS A 25 -4.723 10.550 -10.943 1.00 0.78 C ATOM 352 CD LYS A 25 -4.837 9.906 -9.572 1.00 0.92 C ATOM 353 CE LYS A 25 -4.098 8.574 -9.492 1.00 1.02 C ATOM 354 NZ LYS A 25 -4.670 7.559 -10.418 1.00 1.09 N1+ ATOM 355 H LYS A 25 -1.139 12.104 -12.037 1.00 1.01 H ATOM 356 HA LYS A 25 -3.422 11.028 -13.357 1.00 0.91 H ATOM 357 HB2 LYS A 25 -2.635 10.220 -11.150 1.00 1.05 H ATOM 358 HB3 LYS A 25 -3.058 11.772 -10.445 1.00 1.06 H ATOM 359 HG2 LYS A 25 -5.409 11.381 -10.993 1.00 1.00 H ATOM 360 HG3 LYS A 25 -4.982 9.822 -11.696 1.00 0.99 H ATOM 361 HD2 LYS A 25 -4.422 10.580 -8.838 1.00 1.20 H ATOM 362 HD3 LYS A 25 -5.881 9.740 -9.356 1.00 1.18 H ATOM 363 HE2 LYS A 25 -3.061 8.733 -9.748 1.00 1.57 H ATOM 364 HE3 LYS A 25 -4.165 8.203 -8.480 1.00 1.51 H ATOM 365 HZ1 LYS A 25 -4.549 7.860 -11.405 1.00 1.57 H ATOM 366 HZ2 LYS A 25 -5.684 7.433 -10.227 1.00 1.64 H ATOM 367 HZ3 LYS A 25 -4.187 6.640 -10.282 1.00 1.56 H ATOM 368 N THR A 26 -5.066 12.889 -13.522 1.00 0.85 N ATOM 369 CA THR A 26 -5.923 14.040 -13.764 1.00 0.96 C ATOM 370 C THR A 26 -7.256 13.923 -13.022 1.00 0.88 C ATOM 371 O THR A 26 -7.833 14.929 -12.615 1.00 0.92 O ATOM 372 CB THR A 26 -6.174 14.250 -15.280 1.00 1.20 C ATOM 373 OG1 THR A 26 -6.946 15.435 -15.495 1.00 1.82 O ATOM 374 CG2 THR A 26 -6.891 13.060 -15.903 1.00 1.41 C ATOM 375 H THR A 26 -5.247 12.047 -13.989 1.00 1.00 H ATOM 376 HA THR A 26 -5.404 14.910 -13.393 1.00 1.04 H ATOM 377 HB THR A 26 -5.216 14.364 -15.769 1.00 1.48 H ATOM 378 HG1 THR A 26 -6.613 16.141 -14.927 1.00 2.12 H ATOM 379 HG21 THR A 26 -7.822 12.890 -15.384 1.00 1.83 H ATOM 380 HG22 THR A 26 -6.270 12.180 -15.823 1.00 1.82 H ATOM 381 HG23 THR A 26 -7.091 13.265 -16.943 1.00 1.88 H ATOM 382 N THR A 27 -7.736 12.706 -12.825 1.00 0.83 N ATOM 383 CA THR A 27 -9.008 12.495 -12.150 1.00 0.81 C ATOM 384 C THR A 27 -8.948 11.320 -11.189 1.00 0.75 C ATOM 385 O THR A 27 -8.302 10.308 -11.465 1.00 0.78 O ATOM 386 CB THR A 27 -10.149 12.267 -13.157 1.00 0.91 C ATOM 387 OG1 THR A 27 -9.675 11.506 -14.278 1.00 0.99 O ATOM 388 CG2 THR A 27 -10.730 13.587 -13.631 1.00 1.01 C ATOM 389 H THR A 27 -7.228 11.932 -13.138 1.00 0.85 H ATOM 390 HA THR A 27 -9.235 13.387 -11.588 1.00 0.82 H ATOM 391 HB THR A 27 -10.932 11.707 -12.663 1.00 0.92 H ATOM 392 HG1 THR A 27 -9.244 10.702 -13.963 1.00 1.26 H ATOM 393 HG21 THR A 27 -11.129 14.129 -12.786 1.00 1.43 H ATOM 394 HG22 THR A 27 -11.519 13.400 -14.345 1.00 1.37 H ATOM 395 HG23 THR A 27 -9.952 14.174 -14.098 1.00 1.54 H ATOM 396 N ALA A 28 -9.618 11.469 -10.057 1.00 0.73 N ATOM 397 CA ALA A 28 -9.699 10.409 -9.068 1.00 0.73 C ATOM 398 C ALA A 28 -11.060 10.427 -8.394 1.00 0.75 C ATOM 399 O ALA A 28 -11.820 11.383 -8.545 1.00 0.79 O ATOM 400 CB ALA A 28 -8.597 10.559 -8.035 1.00 0.71 C ATOM 401 H ALA A 28 -10.079 12.326 -9.880 1.00 0.75 H ATOM 402 HA ALA A 28 -9.568 9.464 -9.574 1.00 0.77 H ATOM 403 HB1 ALA A 28 -7.639 10.589 -8.533 1.00 1.18 H ATOM 404 HB2 ALA A 28 -8.624 9.721 -7.357 1.00 1.23 H ATOM 405 HB3 ALA A 28 -8.743 11.477 -7.484 1.00 1.29 H ATOM 406 N THR A 29 -11.371 9.376 -7.659 1.00 0.79 N ATOM 407 CA THR A 29 -12.644 9.294 -6.969 1.00 0.85 C ATOM 408 C THR A 29 -12.454 9.446 -5.463 1.00 0.84 C ATOM 409 O THR A 29 -11.763 8.644 -4.827 1.00 0.84 O ATOM 410 CB THR A 29 -13.353 7.962 -7.267 1.00 0.94 C ATOM 411 OG1 THR A 29 -13.377 7.731 -8.683 1.00 1.00 O ATOM 412 CG2 THR A 29 -14.777 7.976 -6.732 1.00 1.02 C ATOM 413 H THR A 29 -10.734 8.634 -7.583 1.00 0.80 H ATOM 414 HA THR A 29 -13.269 10.100 -7.325 1.00 0.88 H ATOM 415 HB THR A 29 -12.809 7.164 -6.786 1.00 0.94 H ATOM 416 HG1 THR A 29 -12.477 7.799 -9.030 1.00 1.09 H ATOM 417 HG21 THR A 29 -14.760 8.146 -5.666 1.00 1.46 H ATOM 418 HG22 THR A 29 -15.249 7.028 -6.940 1.00 1.53 H ATOM 419 HG23 THR A 29 -15.334 8.767 -7.214 1.00 1.36 H ATOM 420 N ASP A 30 -13.069 10.483 -4.909 1.00 0.89 N ATOM 421 CA ASP A 30 -12.992 10.773 -3.479 1.00 0.96 C ATOM 422 C ASP A 30 -13.702 9.684 -2.671 1.00 1.00 C ATOM 423 O ASP A 30 -14.450 8.878 -3.232 1.00 1.12 O ATOM 424 CB ASP A 30 -13.610 12.153 -3.196 1.00 1.08 C ATOM 425 CG ASP A 30 -13.671 12.495 -1.719 1.00 1.21 C ATOM 426 OD1 ASP A 30 -14.748 12.314 -1.119 1.00 1.58 O ATOM 427 OD2 ASP A 30 -12.647 12.928 -1.149 1.00 1.85 O1+ ATOM 428 H ASP A 30 -13.603 11.081 -5.486 1.00 0.92 H ATOM 429 HA ASP A 30 -11.949 10.789 -3.199 1.00 0.96 H ATOM 430 HB2 ASP A 30 -13.022 12.913 -3.692 1.00 1.18 H ATOM 431 HB3 ASP A 30 -14.619 12.173 -3.590 1.00 1.22 H ATOM 432 N ILE A 31 -13.468 9.653 -1.366 1.00 1.01 N ATOM 433 CA ILE A 31 -14.075 8.660 -0.489 1.00 1.08 C ATOM 434 C ILE A 31 -15.604 8.735 -0.538 1.00 1.14 C ATOM 435 O ILE A 31 -16.291 7.721 -0.394 1.00 1.23 O ATOM 436 CB ILE A 31 -13.571 8.827 0.970 1.00 1.14 C ATOM 437 CG1 ILE A 31 -14.193 7.771 1.889 1.00 1.24 C ATOM 438 CG2 ILE A 31 -13.865 10.230 1.491 1.00 1.18 C ATOM 439 CD1 ILE A 31 -13.648 7.801 3.300 1.00 1.33 C ATOM 440 H ILE A 31 -12.861 10.325 -0.977 1.00 1.04 H ATOM 441 HA ILE A 31 -13.769 7.685 -0.841 1.00 1.07 H ATOM 442 HB ILE A 31 -12.497 8.697 0.967 1.00 1.13 H ATOM 443 HG12 ILE A 31 -15.259 7.936 1.945 1.00 1.28 H ATOM 444 HG13 ILE A 31 -14.005 6.790 1.480 1.00 1.25 H ATOM 445 HG21 ILE A 31 -13.494 10.322 2.501 1.00 1.56 H ATOM 446 HG22 ILE A 31 -14.931 10.400 1.484 1.00 1.54 H ATOM 447 HG23 ILE A 31 -13.380 10.959 0.861 1.00 1.57 H ATOM 448 HD11 ILE A 31 -14.121 7.025 3.884 1.00 1.74 H ATOM 449 HD12 ILE A 31 -13.856 8.763 3.746 1.00 1.61 H ATOM 450 HD13 ILE A 31 -12.582 7.636 3.278 1.00 1.72 H ATOM 451 N LYS A 32 -16.130 9.928 -0.791 1.00 1.15 N ATOM 452 CA LYS A 32 -17.569 10.133 -0.858 1.00 1.23 C ATOM 453 C LYS A 32 -18.130 9.619 -2.182 1.00 1.23 C ATOM 454 O LYS A 32 -19.346 9.506 -2.352 1.00 1.36 O ATOM 455 CB LYS A 32 -17.887 11.615 -0.687 1.00 1.29 C ATOM 456 CG LYS A 32 -17.342 12.197 0.606 1.00 1.34 C ATOM 457 CD LYS A 32 -17.584 13.689 0.696 1.00 1.54 C ATOM 458 CE LYS A 32 -16.909 14.284 1.920 1.00 1.64 C ATOM 459 NZ LYS A 32 -17.386 13.659 3.184 1.00 2.22 N1+ ATOM 460 H LYS A 32 -15.529 10.701 -0.933 1.00 1.11 H ATOM 461 HA LYS A 32 -18.022 9.580 -0.050 1.00 1.30 H ATOM 462 HB2 LYS A 32 -17.454 12.162 -1.514 1.00 1.24 H ATOM 463 HB3 LYS A 32 -18.958 11.749 -0.696 1.00 1.37 H ATOM 464 HG2 LYS A 32 -17.825 11.717 1.439 1.00 1.43 H ATOM 465 HG3 LYS A 32 -16.279 12.013 0.650 1.00 1.35 H ATOM 466 HD2 LYS A 32 -17.182 14.156 -0.187 1.00 1.63 H ATOM 467 HD3 LYS A 32 -18.647 13.872 0.755 1.00 1.72 H ATOM 468 HE2 LYS A 32 -15.845 14.126 1.833 1.00 1.88 H ATOM 469 HE3 LYS A 32 -17.112 15.343 1.951 1.00 1.88 H ATOM 470 HZ1 LYS A 32 -17.141 12.649 3.200 1.00 2.65 H ATOM 471 HZ2 LYS A 32 -18.417 13.754 3.264 1.00 2.63 H ATOM 472 HZ3 LYS A 32 -16.943 14.126 4.002 1.00 2.63 H ATOM 473 N GLY A 33 -17.238 9.310 -3.114 1.00 1.14 N ATOM 474 CA GLY A 33 -17.653 8.778 -4.397 1.00 1.16 C ATOM 475 C GLY A 33 -17.731 9.846 -5.466 1.00 1.15 C ATOM 476 O GLY A 33 -18.364 9.656 -6.505 1.00 1.25 O ATOM 477 H GLY A 33 -16.283 9.441 -2.925 1.00 1.08 H ATOM 478 HA2 GLY A 33 -16.945 8.023 -4.708 1.00 1.14 H ATOM 479 HA3 GLY A 33 -18.627 8.322 -4.287 1.00 1.25 H ATOM 480 N LYS A 34 -17.089 10.974 -5.213 1.00 1.08 N ATOM 481 CA LYS A 34 -17.105 12.087 -6.148 1.00 1.10 C ATOM 482 C LYS A 34 -15.881 12.049 -7.047 1.00 1.03 C ATOM 483 O LYS A 34 -14.776 11.756 -6.590 1.00 1.10 O ATOM 484 CB LYS A 34 -17.142 13.409 -5.386 1.00 1.15 C ATOM 485 CG LYS A 34 -18.328 13.547 -4.447 1.00 1.24 C ATOM 486 CD LYS A 34 -19.649 13.484 -5.192 1.00 1.42 C ATOM 487 CE LYS A 34 -20.822 13.688 -4.249 1.00 1.61 C ATOM 488 NZ LYS A 34 -20.811 15.038 -3.628 1.00 2.14 N1+ ATOM 489 H LYS A 34 -16.591 11.063 -4.376 1.00 1.06 H ATOM 490 HA LYS A 34 -17.991 12.002 -6.757 1.00 1.18 H ATOM 491 HB2 LYS A 34 -16.239 13.493 -4.800 1.00 1.14 H ATOM 492 HB3 LYS A 34 -17.176 14.223 -6.096 1.00 1.22 H ATOM 493 HG2 LYS A 34 -18.297 12.746 -3.727 1.00 1.30 H ATOM 494 HG3 LYS A 34 -18.260 14.490 -3.935 1.00 1.34 H ATOM 495 HD2 LYS A 34 -19.663 14.259 -5.944 1.00 1.50 H ATOM 496 HD3 LYS A 34 -19.742 12.518 -5.665 1.00 1.51 H ATOM 497 HE2 LYS A 34 -21.739 13.565 -4.801 1.00 1.85 H ATOM 498 HE3 LYS A 34 -20.769 12.944 -3.471 1.00 1.93 H ATOM 499 HZ1 LYS A 34 -19.932 15.182 -3.092 1.00 2.58 H ATOM 500 HZ2 LYS A 34 -21.614 15.142 -2.978 1.00 2.55 H ATOM 501 HZ3 LYS A 34 -20.877 15.773 -4.361 1.00 2.50 H ATOM 502 N GLU A 35 -16.082 12.335 -8.322 1.00 1.00 N ATOM 503 CA GLU A 35 -14.982 12.420 -9.264 1.00 0.96 C ATOM 504 C GLU A 35 -14.335 13.796 -9.169 1.00 0.94 C ATOM 505 O GLU A 35 -14.965 14.815 -9.463 1.00 1.02 O ATOM 506 CB GLU A 35 -15.472 12.163 -10.690 1.00 1.05 C ATOM 507 CG GLU A 35 -14.370 12.232 -11.733 1.00 1.08 C ATOM 508 CD GLU A 35 -14.884 12.038 -13.143 1.00 1.55 C ATOM 509 OE1 GLU A 35 -15.184 13.047 -13.815 1.00 2.19 O ATOM 510 OE2 GLU A 35 -14.988 10.877 -13.592 1.00 2.06 O1+ ATOM 511 H GLU A 35 -16.995 12.501 -8.636 1.00 1.09 H ATOM 512 HA GLU A 35 -14.252 11.670 -8.996 1.00 0.91 H ATOM 513 HB2 GLU A 35 -15.918 11.180 -10.732 1.00 1.09 H ATOM 514 HB3 GLU A 35 -16.221 12.900 -10.937 1.00 1.11 H ATOM 515 HG2 GLU A 35 -13.894 13.197 -11.670 1.00 1.35 H ATOM 516 HG3 GLU A 35 -13.644 11.461 -11.522 1.00 1.05 H ATOM 517 N VAL A 36 -13.086 13.822 -8.745 1.00 0.87 N ATOM 518 CA VAL A 36 -12.374 15.070 -8.564 1.00 0.89 C ATOM 519 C VAL A 36 -11.194 15.164 -9.517 1.00 0.85 C ATOM 520 O VAL A 36 -10.630 14.146 -9.937 1.00 0.80 O ATOM 521 CB VAL A 36 -11.868 15.230 -7.114 1.00 0.91 C ATOM 522 CG1 VAL A 36 -13.029 15.256 -6.137 1.00 1.02 C ATOM 523 CG2 VAL A 36 -10.901 14.118 -6.751 1.00 0.85 C ATOM 524 H VAL A 36 -12.626 12.975 -8.553 1.00 0.83 H ATOM 525 HA VAL A 36 -13.058 15.876 -8.775 1.00 0.97 H ATOM 526 HB VAL A 36 -11.343 16.172 -7.039 1.00 0.95 H ATOM 527 HG11 VAL A 36 -12.651 15.349 -5.131 1.00 1.47 H ATOM 528 HG12 VAL A 36 -13.594 14.339 -6.228 1.00 1.40 H ATOM 529 HG13 VAL A 36 -13.670 16.096 -6.360 1.00 1.48 H ATOM 530 HG21 VAL A 36 -10.073 14.122 -7.441 1.00 1.34 H ATOM 531 HG22 VAL A 36 -11.412 13.167 -6.805 1.00 1.19 H ATOM 532 HG23 VAL A 36 -10.535 14.275 -5.747 1.00 1.41 H ATOM 533 N THR A 37 -10.834 16.387 -9.860 1.00 0.90 N ATOM 534 CA THR A 37 -9.693 16.635 -10.708 1.00 0.91 C ATOM 535 C THR A 37 -8.445 16.764 -9.848 1.00 0.90 C ATOM 536 O THR A 37 -8.379 17.603 -8.946 1.00 0.94 O ATOM 537 CB THR A 37 -9.894 17.907 -11.546 1.00 1.00 C ATOM 538 OG1 THR A 37 -11.143 17.825 -12.248 1.00 1.04 O ATOM 539 CG2 THR A 37 -8.757 18.096 -12.541 1.00 1.04 C ATOM 540 H THR A 37 -11.343 17.153 -9.513 1.00 0.96 H ATOM 541 HA THR A 37 -9.578 15.795 -11.376 1.00 0.88 H ATOM 542 HB THR A 37 -9.916 18.754 -10.880 1.00 1.04 H ATOM 543 HG1 THR A 37 -11.699 17.155 -11.831 1.00 1.32 H ATOM 544 HG21 THR A 37 -8.714 17.246 -13.203 1.00 1.43 H ATOM 545 HG22 THR A 37 -7.823 18.187 -12.007 1.00 1.50 H ATOM 546 HG23 THR A 37 -8.930 18.993 -13.117 1.00 1.44 H ATOM 547 N VAL A 38 -7.474 15.916 -10.116 1.00 0.88 N ATOM 548 CA VAL A 38 -6.271 15.859 -9.314 1.00 0.90 C ATOM 549 C VAL A 38 -5.294 16.951 -9.724 1.00 0.98 C ATOM 550 O VAL A 38 -5.010 17.133 -10.907 1.00 1.10 O ATOM 551 CB VAL A 38 -5.594 14.478 -9.428 1.00 0.90 C ATOM 552 CG1 VAL A 38 -4.287 14.448 -8.658 1.00 0.98 C ATOM 553 CG2 VAL A 38 -6.526 13.386 -8.931 1.00 0.88 C ATOM 554 H VAL A 38 -7.559 15.323 -10.893 1.00 0.87 H ATOM 555 HA VAL A 38 -6.555 16.012 -8.286 1.00 0.91 H ATOM 556 HB VAL A 38 -5.377 14.288 -10.469 1.00 0.91 H ATOM 557 HG11 VAL A 38 -4.478 14.660 -7.617 1.00 1.29 H ATOM 558 HG12 VAL A 38 -3.615 15.192 -9.059 1.00 1.55 H ATOM 559 HG13 VAL A 38 -3.839 13.470 -8.750 1.00 1.43 H ATOM 560 HG21 VAL A 38 -7.440 13.401 -9.506 1.00 1.34 H ATOM 561 HG22 VAL A 38 -6.754 13.553 -7.887 1.00 1.39 H ATOM 562 HG23 VAL A 38 -6.048 12.423 -9.044 1.00 1.32 H ATOM 563 N LEU A 39 -4.801 17.686 -8.742 1.00 1.12 N ATOM 564 CA LEU A 39 -3.826 18.727 -8.990 1.00 1.27 C ATOM 565 C LEU A 39 -2.437 18.211 -8.658 1.00 1.47 C ATOM 566 O LEU A 39 -2.016 18.242 -7.500 1.00 1.91 O ATOM 567 CB LEU A 39 -4.138 19.968 -8.148 1.00 1.24 C ATOM 568 CG LEU A 39 -5.536 20.553 -8.335 1.00 1.16 C ATOM 569 CD1 LEU A 39 -5.750 21.723 -7.390 1.00 1.22 C ATOM 570 CD2 LEU A 39 -5.751 20.988 -9.775 1.00 1.23 C ATOM 571 H LEU A 39 -5.093 17.519 -7.824 1.00 1.24 H ATOM 572 HA LEU A 39 -3.867 18.986 -10.038 1.00 1.32 H ATOM 573 HB2 LEU A 39 -4.018 19.708 -7.104 1.00 1.27 H ATOM 574 HB3 LEU A 39 -3.416 20.734 -8.394 1.00 1.35 H ATOM 575 HG LEU A 39 -6.270 19.797 -8.101 1.00 1.08 H ATOM 576 HD11 LEU A 39 -5.634 21.388 -6.370 1.00 1.59 H ATOM 577 HD12 LEU A 39 -6.745 22.120 -7.527 1.00 1.69 H ATOM 578 HD13 LEU A 39 -5.022 22.493 -7.602 1.00 1.50 H ATOM 579 HD21 LEU A 39 -5.010 21.728 -10.041 1.00 1.63 H ATOM 580 HD22 LEU A 39 -6.738 21.410 -9.881 1.00 1.57 H ATOM 581 HD23 LEU A 39 -5.654 20.131 -10.426 1.00 1.61 H ATOM 582 N ALA A 40 -1.739 17.710 -9.668 1.00 1.59 N ATOM 583 CA ALA A 40 -0.381 17.222 -9.482 1.00 1.84 C ATOM 584 C ALA A 40 0.505 18.354 -8.991 1.00 1.91 C ATOM 585 O ALA A 40 1.406 18.155 -8.179 1.00 2.18 O ATOM 586 CB ALA A 40 0.158 16.640 -10.777 1.00 2.03 C ATOM 587 H ALA A 40 -2.145 17.670 -10.561 1.00 1.80 H ATOM 588 HA ALA A 40 -0.403 16.440 -8.737 1.00 1.92 H ATOM 589 HB1 ALA A 40 1.146 16.237 -10.606 1.00 2.33 H ATOM 590 HB2 ALA A 40 0.210 17.416 -11.526 1.00 2.27 H ATOM 591 HB3 ALA A 40 -0.498 15.853 -11.119 1.00 2.35 H ATOM 592 N GLU A 41 0.218 19.545 -9.487 1.00 1.74 N ATOM 593 CA GLU A 41 0.899 20.748 -9.059 1.00 1.84 C ATOM 594 C GLU A 41 -0.047 21.561 -8.187 1.00 1.60 C ATOM 595 O GLU A 41 -1.080 22.033 -8.661 1.00 1.50 O ATOM 596 CB GLU A 41 1.315 21.557 -10.285 1.00 2.02 C ATOM 597 CG GLU A 41 2.135 20.753 -11.277 1.00 2.45 C ATOM 598 CD GLU A 41 2.200 21.394 -12.644 1.00 3.03 C ATOM 599 OE1 GLU A 41 3.261 21.949 -12.996 1.00 3.59 O ATOM 600 OE2 GLU A 41 1.195 21.327 -13.383 1.00 3.45 O1+ ATOM 601 H GLU A 41 -0.487 19.618 -10.165 1.00 1.61 H ATOM 602 HA GLU A 41 1.772 20.469 -8.488 1.00 2.08 H ATOM 603 HB2 GLU A 41 0.428 21.911 -10.786 1.00 1.95 H ATOM 604 HB3 GLU A 41 1.903 22.404 -9.966 1.00 2.24 H ATOM 605 HG2 GLU A 41 3.138 20.656 -10.897 1.00 2.59 H ATOM 606 HG3 GLU A 41 1.690 19.773 -11.375 1.00 2.72 H ATOM 607 N VAL A 42 0.298 21.719 -6.921 1.00 1.67 N ATOM 608 CA VAL A 42 -0.587 22.387 -5.979 1.00 1.60 C ATOM 609 C VAL A 42 -0.166 23.833 -5.768 1.00 1.49 C ATOM 610 O VAL A 42 1.024 24.143 -5.711 1.00 1.71 O ATOM 611 CB VAL A 42 -0.633 21.658 -4.615 1.00 2.04 C ATOM 612 CG1 VAL A 42 -1.068 20.215 -4.795 1.00 2.40 C ATOM 613 CG2 VAL A 42 0.708 21.721 -3.905 1.00 2.19 C ATOM 614 H VAL A 42 1.169 21.388 -6.614 1.00 1.86 H ATOM 615 HA VAL A 42 -1.582 22.375 -6.399 1.00 1.58 H ATOM 616 HB VAL A 42 -1.365 22.149 -3.992 1.00 2.20 H ATOM 617 HG11 VAL A 42 -2.052 20.188 -5.240 1.00 2.60 H ATOM 618 HG12 VAL A 42 -1.096 19.725 -3.832 1.00 2.60 H ATOM 619 HG13 VAL A 42 -0.367 19.704 -5.440 1.00 2.85 H ATOM 620 HG21 VAL A 42 0.991 22.754 -3.762 1.00 2.45 H ATOM 621 HG22 VAL A 42 1.455 21.220 -4.501 1.00 2.55 H ATOM 622 HG23 VAL A 42 0.628 21.234 -2.944 1.00 2.40 H ATOM 623 N ASN A 43 -1.147 24.714 -5.672 1.00 1.52 N ATOM 624 CA ASN A 43 -0.885 26.124 -5.432 1.00 1.72 C ATOM 625 C ASN A 43 -1.388 26.519 -4.055 1.00 1.79 C ATOM 626 O ASN A 43 -2.582 26.753 -3.864 1.00 2.11 O ATOM 627 CB ASN A 43 -1.565 26.997 -6.493 1.00 2.20 C ATOM 628 CG ASN A 43 -1.087 26.697 -7.900 1.00 2.56 C ATOM 629 OD1 ASN A 43 -0.107 27.276 -8.375 1.00 3.25 O ATOM 630 ND2 ASN A 43 -1.780 25.799 -8.585 1.00 2.50 N ATOM 631 H ASN A 43 -2.076 24.410 -5.768 1.00 1.63 H ATOM 632 HA ASN A 43 0.182 26.280 -5.472 1.00 1.75 H ATOM 633 HB2 ASN A 43 -2.631 26.833 -6.454 1.00 2.51 H ATOM 634 HB3 ASN A 43 -1.360 28.036 -6.278 1.00 2.57 H ATOM 635 HD21 ASN A 43 -2.555 25.379 -8.150 1.00 2.28 H ATOM 636 HD22 ASN A 43 -1.497 25.591 -9.500 1.00 2.95 H ATOM 637 N ILE A 44 -0.483 26.580 -3.094 1.00 1.74 N ATOM 638 CA ILE A 44 -0.842 26.984 -1.748 1.00 1.97 C ATOM 639 C ILE A 44 -0.352 28.403 -1.487 1.00 2.17 C ATOM 640 O ILE A 44 0.763 28.603 -1.001 1.00 2.77 O ATOM 641 CB ILE A 44 -0.257 26.027 -0.685 1.00 2.06 C ATOM 642 CG1 ILE A 44 -0.637 24.575 -0.999 1.00 2.19 C ATOM 643 CG2 ILE A 44 -0.752 26.414 0.704 1.00 2.54 C ATOM 644 CD1 ILE A 44 -0.003 23.566 -0.064 1.00 2.51 C ATOM 645 H ILE A 44 0.454 26.351 -3.295 1.00 1.72 H ATOM 646 HA ILE A 44 -1.920 26.966 -1.670 1.00 2.23 H ATOM 647 HB ILE A 44 0.817 26.123 -0.697 1.00 1.99 H ATOM 648 HG12 ILE A 44 -1.709 24.467 -0.924 1.00 2.52 H ATOM 649 HG13 ILE A 44 -0.325 24.339 -2.007 1.00 2.16 H ATOM 650 HG21 ILE A 44 -1.828 26.318 0.741 1.00 2.81 H ATOM 651 HG22 ILE A 44 -0.472 27.435 0.913 1.00 2.98 H ATOM 652 HG23 ILE A 44 -0.308 25.759 1.439 1.00 2.77 H ATOM 653 HD11 ILE A 44 1.072 23.667 -0.099 1.00 2.71 H ATOM 654 HD12 ILE A 44 -0.279 22.567 -0.368 1.00 2.77 H ATOM 655 HD13 ILE A 44 -0.347 23.742 0.946 1.00 2.95 H ATOM 656 N ASN A 45 -1.185 29.376 -1.857 1.00 2.27 N ATOM 657 CA ASN A 45 -0.883 30.802 -1.685 1.00 2.63 C ATOM 658 C ASN A 45 0.276 31.225 -2.580 1.00 2.79 C ATOM 659 O ASN A 45 0.069 31.830 -3.631 1.00 3.40 O ATOM 660 CB ASN A 45 -0.572 31.146 -0.217 1.00 2.92 C ATOM 661 CG ASN A 45 -1.804 31.185 0.677 1.00 3.28 C ATOM 662 OD1 ASN A 45 -1.842 31.925 1.659 1.00 3.84 O ATOM 663 ND2 ASN A 45 -2.818 30.394 0.356 1.00 3.42 N ATOM 664 H ASN A 45 -2.037 29.125 -2.274 1.00 2.51 H ATOM 665 HA ASN A 45 -1.762 31.353 -1.991 1.00 2.88 H ATOM 666 HB2 ASN A 45 0.107 30.406 0.180 1.00 2.97 H ATOM 667 HB3 ASN A 45 -0.094 32.116 -0.177 1.00 3.29 H ATOM 668 HD21 ASN A 45 -2.731 29.823 -0.438 1.00 3.30 H ATOM 669 HD22 ASN A 45 -3.620 30.417 0.921 1.00 3.91 H ATOM 670 N ASN A 46 1.491 30.894 -2.169 1.00 2.74 N ATOM 671 CA ASN A 46 2.681 31.235 -2.935 1.00 3.12 C ATOM 672 C ASN A 46 3.611 30.031 -3.042 1.00 2.90 C ATOM 673 O ASN A 46 4.691 30.122 -3.621 1.00 3.24 O ATOM 674 CB ASN A 46 3.428 32.410 -2.289 1.00 3.68 C ATOM 675 CG ASN A 46 3.901 32.104 -0.878 1.00 4.21 C ATOM 676 OD1 ASN A 46 3.170 32.307 0.090 1.00 4.57 O ATOM 677 ND2 ASN A 46 5.128 31.623 -0.747 1.00 4.76 N ATOM 678 H ASN A 46 1.589 30.398 -1.325 1.00 2.80 H ATOM 679 HA ASN A 46 2.367 31.520 -3.928 1.00 3.37 H ATOM 680 HB2 ASN A 46 4.291 32.653 -2.891 1.00 3.81 H ATOM 681 HB3 ASN A 46 2.771 33.268 -2.249 1.00 4.00 H ATOM 682 HD21 ASN A 46 5.666 31.490 -1.558 1.00 4.82 H ATOM 683 HD22 ASN A 46 5.453 31.421 0.159 1.00 5.31 H ATOM 684 N SER A 47 3.187 28.906 -2.486 1.00 2.52 N ATOM 685 CA SER A 47 4.005 27.708 -2.491 1.00 2.40 C ATOM 686 C SER A 47 3.433 26.680 -3.457 1.00 1.94 C ATOM 687 O SER A 47 2.317 26.190 -3.271 1.00 1.86 O ATOM 688 CB SER A 47 4.094 27.130 -1.077 1.00 2.80 C ATOM 689 OG SER A 47 4.504 28.123 -0.150 1.00 3.33 O ATOM 690 H SER A 47 2.298 28.875 -2.070 1.00 2.46 H ATOM 691 HA SER A 47 4.995 27.985 -2.823 1.00 2.57 H ATOM 692 HB2 SER A 47 3.125 26.757 -0.779 1.00 3.08 H ATOM 693 HB3 SER A 47 4.812 26.324 -1.059 1.00 2.91 H ATOM 694 HG SER A 47 5.309 28.546 -0.475 1.00 3.53 H ATOM 695 N VAL A 48 4.192 26.381 -4.499 1.00 1.89 N ATOM 696 CA VAL A 48 3.775 25.424 -5.508 1.00 1.71 C ATOM 697 C VAL A 48 4.712 24.221 -5.510 1.00 1.76 C ATOM 698 O VAL A 48 5.928 24.379 -5.622 1.00 2.07 O ATOM 699 CB VAL A 48 3.772 26.061 -6.916 1.00 2.05 C ATOM 700 CG1 VAL A 48 3.210 25.096 -7.950 1.00 2.37 C ATOM 701 CG2 VAL A 48 2.992 27.365 -6.917 1.00 2.33 C ATOM 702 H VAL A 48 5.065 26.819 -4.594 1.00 2.15 H ATOM 703 HA VAL A 48 2.773 25.096 -5.273 1.00 1.67 H ATOM 704 HB VAL A 48 4.793 26.280 -7.186 1.00 2.20 H ATOM 705 HG11 VAL A 48 3.251 25.553 -8.927 1.00 2.78 H ATOM 706 HG12 VAL A 48 2.184 24.863 -7.704 1.00 2.71 H ATOM 707 HG13 VAL A 48 3.795 24.189 -7.950 1.00 2.56 H ATOM 708 HG21 VAL A 48 1.970 27.177 -6.628 1.00 2.57 H ATOM 709 HG22 VAL A 48 3.012 27.796 -7.907 1.00 2.62 H ATOM 710 HG23 VAL A 48 3.442 28.054 -6.217 1.00 2.67 H ATOM 711 N PHE A 49 4.153 23.027 -5.373 1.00 1.72 N ATOM 712 CA PHE A 49 4.947 21.808 -5.439 1.00 1.95 C ATOM 713 C PHE A 49 4.140 20.689 -6.083 1.00 1.69 C ATOM 714 O PHE A 49 2.920 20.802 -6.233 1.00 1.90 O ATOM 715 CB PHE A 49 5.458 21.390 -4.044 1.00 2.53 C ATOM 716 CG PHE A 49 4.396 20.969 -3.063 1.00 2.78 C ATOM 717 CD1 PHE A 49 3.866 21.878 -2.158 1.00 2.80 C ATOM 718 CD2 PHE A 49 3.943 19.659 -3.031 1.00 3.40 C ATOM 719 CE1 PHE A 49 2.906 21.484 -1.243 1.00 3.32 C ATOM 720 CE2 PHE A 49 2.983 19.262 -2.122 1.00 4.13 C ATOM 721 CZ PHE A 49 2.464 20.176 -1.227 1.00 4.06 C ATOM 722 H PHE A 49 3.182 22.962 -5.236 1.00 1.71 H ATOM 723 HA PHE A 49 5.797 22.015 -6.073 1.00 2.26 H ATOM 724 HB2 PHE A 49 6.137 20.558 -4.158 1.00 2.95 H ATOM 725 HB3 PHE A 49 5.997 22.221 -3.609 1.00 2.91 H ATOM 726 HD1 PHE A 49 4.210 22.903 -2.173 1.00 2.66 H ATOM 727 HD2 PHE A 49 4.348 18.943 -3.731 1.00 3.50 H ATOM 728 HE1 PHE A 49 2.502 22.198 -0.541 1.00 3.36 H ATOM 729 HE2 PHE A 49 2.637 18.238 -2.110 1.00 4.85 H ATOM 730 HZ PHE A 49 1.714 19.867 -0.513 1.00 4.69 H ATOM 731 N ARG A 50 4.824 19.625 -6.475 1.00 1.63 N ATOM 732 CA ARG A 50 4.183 18.512 -7.156 1.00 1.49 C ATOM 733 C ARG A 50 4.049 17.309 -6.240 1.00 1.50 C ATOM 734 O ARG A 50 4.979 16.960 -5.512 1.00 1.83 O ATOM 735 CB ARG A 50 4.967 18.135 -8.417 1.00 1.73 C ATOM 736 CG ARG A 50 4.836 19.166 -9.520 1.00 2.22 C ATOM 737 CD ARG A 50 5.567 18.749 -10.785 1.00 2.76 C ATOM 738 NE ARG A 50 5.242 19.640 -11.902 1.00 3.35 N ATOM 739 CZ ARG A 50 5.607 19.429 -13.163 1.00 3.99 C ATOM 740 NH1 ARG A 50 6.366 18.389 -13.475 1.00 4.08 N1+ ATOM 741 NH2 ARG A 50 5.210 20.271 -14.111 1.00 4.84 N ATOM 742 H ARG A 50 5.787 19.580 -6.295 1.00 1.92 H ATOM 743 HA ARG A 50 3.192 18.832 -7.443 1.00 1.71 H ATOM 744 HB2 ARG A 50 6.011 18.036 -8.163 1.00 2.01 H ATOM 745 HB3 ARG A 50 4.601 17.191 -8.788 1.00 2.27 H ATOM 746 HG2 ARG A 50 3.791 19.287 -9.751 1.00 2.65 H ATOM 747 HG3 ARG A 50 5.242 20.104 -9.172 1.00 2.50 H ATOM 748 HD2 ARG A 50 6.632 18.787 -10.604 1.00 3.12 H ATOM 749 HD3 ARG A 50 5.278 17.742 -11.042 1.00 2.96 H ATOM 750 HE ARG A 50 4.702 20.435 -11.695 1.00 3.56 H ATOM 751 HH11 ARG A 50 6.669 17.754 -12.761 1.00 3.80 H ATOM 752 HH12 ARG A 50 6.643 18.231 -14.428 1.00 4.65 H ATOM 753 HH21 ARG A 50 4.631 21.063 -13.873 1.00 5.09 H ATOM 754 HH22 ARG A 50 5.481 20.123 -15.066 1.00 5.38 H ATOM 755 N GLN A 51 2.886 16.681 -6.284 1.00 1.65 N ATOM 756 CA GLN A 51 2.618 15.522 -5.458 1.00 2.04 C ATOM 757 C GLN A 51 2.526 14.273 -6.333 1.00 1.81 C ATOM 758 O GLN A 51 2.061 14.339 -7.471 1.00 2.52 O ATOM 759 CB GLN A 51 1.323 15.731 -4.659 1.00 2.80 C ATOM 760 CG GLN A 51 0.040 15.510 -5.453 1.00 3.27 C ATOM 761 CD GLN A 51 -1.202 15.923 -4.683 1.00 3.84 C ATOM 762 OE1 GLN A 51 -1.734 15.159 -3.877 1.00 4.12 O ATOM 763 NE2 GLN A 51 -1.699 17.115 -4.956 1.00 4.56 N ATOM 764 H GLN A 51 2.192 17.002 -6.904 1.00 1.81 H ATOM 765 HA GLN A 51 3.443 15.410 -4.771 1.00 2.21 H ATOM 766 HB2 GLN A 51 1.320 15.046 -3.826 1.00 3.23 H ATOM 767 HB3 GLN A 51 1.313 16.742 -4.278 1.00 3.14 H ATOM 768 HG2 GLN A 51 0.090 16.090 -6.363 1.00 3.47 H ATOM 769 HG3 GLN A 51 -0.039 14.461 -5.702 1.00 3.61 H ATOM 770 HE21 GLN A 51 -1.241 17.665 -5.638 1.00 4.69 H ATOM 771 HE22 GLN A 51 -2.508 17.404 -4.485 1.00 5.18 H ATOM 772 N TYR A 52 2.984 13.144 -5.812 1.00 1.37 N ATOM 773 CA TYR A 52 2.982 11.904 -6.577 1.00 1.19 C ATOM 774 C TYR A 52 2.120 10.859 -5.884 1.00 1.14 C ATOM 775 O TYR A 52 1.919 10.916 -4.668 1.00 1.40 O ATOM 776 CB TYR A 52 4.411 11.376 -6.752 1.00 1.34 C ATOM 777 CG TYR A 52 5.393 12.419 -7.240 1.00 1.37 C ATOM 778 CD1 TYR A 52 5.229 13.041 -8.474 1.00 1.62 C ATOM 779 CD2 TYR A 52 6.485 12.783 -6.463 1.00 1.98 C ATOM 780 CE1 TYR A 52 6.125 13.995 -8.915 1.00 1.89 C ATOM 781 CE2 TYR A 52 7.384 13.736 -6.898 1.00 2.26 C ATOM 782 CZ TYR A 52 7.200 14.339 -8.124 1.00 2.00 C ATOM 783 OH TYR A 52 8.097 15.286 -8.557 1.00 2.46 O ATOM 784 H TYR A 52 3.324 13.139 -4.895 1.00 1.70 H ATOM 785 HA TYR A 52 2.559 12.116 -7.549 1.00 1.17 H ATOM 786 HB2 TYR A 52 4.769 11.005 -5.803 1.00 1.57 H ATOM 787 HB3 TYR A 52 4.404 10.564 -7.467 1.00 1.52 H ATOM 788 HD1 TYR A 52 4.385 12.771 -9.091 1.00 2.08 H ATOM 789 HD2 TYR A 52 6.628 12.309 -5.504 1.00 2.55 H ATOM 790 HE1 TYR A 52 5.982 14.467 -9.875 1.00 2.43 H ATOM 791 HE2 TYR A 52 8.229 14.006 -6.280 1.00 2.96 H ATOM 792 HH TYR A 52 8.993 14.937 -8.479 1.00 2.76 H ATOM 793 N PHE A 53 1.602 9.919 -6.661 1.00 0.94 N ATOM 794 CA PHE A 53 0.752 8.865 -6.127 1.00 0.91 C ATOM 795 C PHE A 53 1.343 7.497 -6.422 1.00 0.91 C ATOM 796 O PHE A 53 1.659 7.185 -7.565 1.00 0.94 O ATOM 797 CB PHE A 53 -0.650 8.963 -6.731 1.00 0.87 C ATOM 798 CG PHE A 53 -1.279 10.308 -6.534 1.00 0.93 C ATOM 799 CD1 PHE A 53 -1.880 10.630 -5.333 1.00 1.01 C ATOM 800 CD2 PHE A 53 -1.255 11.251 -7.547 1.00 1.00 C ATOM 801 CE1 PHE A 53 -2.450 11.870 -5.142 1.00 1.12 C ATOM 802 CE2 PHE A 53 -1.823 12.493 -7.363 1.00 1.12 C ATOM 803 CZ PHE A 53 -2.422 12.804 -6.158 1.00 1.16 C ATOM 804 H PHE A 53 1.782 9.943 -7.629 1.00 0.92 H ATOM 805 HA PHE A 53 0.689 8.998 -5.058 1.00 0.97 H ATOM 806 HB2 PHE A 53 -0.593 8.773 -7.793 1.00 0.85 H ATOM 807 HB3 PHE A 53 -1.290 8.223 -6.270 1.00 0.89 H ATOM 808 HD1 PHE A 53 -1.900 9.900 -4.540 1.00 1.05 H ATOM 809 HD2 PHE A 53 -0.787 11.007 -8.489 1.00 1.03 H ATOM 810 HE1 PHE A 53 -2.917 12.110 -4.199 1.00 1.23 H ATOM 811 HE2 PHE A 53 -1.801 13.222 -8.160 1.00 1.22 H ATOM 812 HZ PHE A 53 -2.865 13.776 -6.011 1.00 1.28 H ATOM 813 N PHE A 54 1.487 6.688 -5.390 1.00 0.96 N ATOM 814 CA PHE A 54 2.000 5.336 -5.541 1.00 1.00 C ATOM 815 C PHE A 54 0.872 4.380 -5.915 1.00 0.95 C ATOM 816 O PHE A 54 0.049 4.008 -5.081 1.00 1.03 O ATOM 817 CB PHE A 54 2.707 4.883 -4.250 1.00 1.12 C ATOM 818 CG PHE A 54 1.930 5.163 -2.989 1.00 1.57 C ATOM 819 CD1 PHE A 54 1.149 4.177 -2.401 1.00 2.13 C ATOM 820 CD2 PHE A 54 1.981 6.414 -2.393 1.00 2.47 C ATOM 821 CE1 PHE A 54 0.435 4.436 -1.248 1.00 3.04 C ATOM 822 CE2 PHE A 54 1.270 6.676 -1.241 1.00 3.41 C ATOM 823 CZ PHE A 54 0.496 5.687 -0.668 1.00 3.56 C ATOM 824 H PHE A 54 1.235 7.002 -4.500 1.00 1.01 H ATOM 825 HA PHE A 54 2.721 5.350 -6.347 1.00 1.02 H ATOM 826 HB2 PHE A 54 2.881 3.819 -4.299 1.00 1.61 H ATOM 827 HB3 PHE A 54 3.657 5.392 -4.173 1.00 1.49 H ATOM 828 HD1 PHE A 54 1.100 3.198 -2.855 1.00 2.37 H ATOM 829 HD2 PHE A 54 2.586 7.188 -2.841 1.00 2.81 H ATOM 830 HE1 PHE A 54 -0.168 3.662 -0.802 1.00 3.66 H ATOM 831 HE2 PHE A 54 1.318 7.656 -0.787 1.00 4.27 H ATOM 832 HZ PHE A 54 -0.060 5.892 0.234 1.00 4.41 H ATOM 833 N GLU A 55 0.817 4.008 -7.181 1.00 0.88 N ATOM 834 CA GLU A 55 -0.200 3.085 -7.655 1.00 0.88 C ATOM 835 C GLU A 55 0.418 1.731 -7.961 1.00 0.92 C ATOM 836 O GLU A 55 1.236 1.602 -8.871 1.00 1.11 O ATOM 837 CB GLU A 55 -0.906 3.632 -8.903 1.00 0.89 C ATOM 838 CG GLU A 55 -1.510 5.019 -8.719 1.00 0.91 C ATOM 839 CD GLU A 55 -2.495 5.372 -9.813 1.00 0.90 C ATOM 840 OE1 GLU A 55 -3.707 5.140 -9.625 1.00 1.42 O ATOM 841 OE2 GLU A 55 -2.077 5.891 -10.864 1.00 1.49 O1+ ATOM 842 H GLU A 55 1.485 4.358 -7.818 1.00 0.89 H ATOM 843 HA GLU A 55 -0.926 2.962 -6.863 1.00 0.90 H ATOM 844 HB2 GLU A 55 -0.191 3.679 -9.714 1.00 1.03 H ATOM 845 HB3 GLU A 55 -1.700 2.951 -9.181 1.00 0.99 H ATOM 846 HG2 GLU A 55 -2.021 5.056 -7.769 1.00 1.08 H ATOM 847 HG3 GLU A 55 -0.712 5.750 -8.727 1.00 1.12 H ATOM 848 N THR A 56 0.042 0.733 -7.184 1.00 0.87 N ATOM 849 CA THR A 56 0.500 -0.624 -7.413 1.00 0.93 C ATOM 850 C THR A 56 -0.554 -1.394 -8.196 1.00 0.96 C ATOM 851 O THR A 56 -1.575 -1.808 -7.649 1.00 1.03 O ATOM 852 CB THR A 56 0.800 -1.354 -6.092 1.00 0.98 C ATOM 853 OG1 THR A 56 1.716 -0.581 -5.303 1.00 1.04 O ATOM 854 CG2 THR A 56 1.394 -2.732 -6.353 1.00 1.07 C ATOM 855 H THR A 56 -0.574 0.913 -6.440 1.00 0.89 H ATOM 856 HA THR A 56 1.408 -0.578 -7.996 1.00 0.97 H ATOM 857 HB THR A 56 -0.125 -1.473 -5.545 1.00 0.98 H ATOM 858 HG1 THR A 56 1.252 -0.232 -4.531 1.00 1.21 H ATOM 859 HG21 THR A 56 1.595 -3.222 -5.412 1.00 1.53 H ATOM 860 HG22 THR A 56 2.314 -2.628 -6.908 1.00 1.56 H ATOM 861 HG23 THR A 56 0.692 -3.322 -6.925 1.00 1.36 H ATOM 862 N LYS A 57 -0.296 -1.574 -9.479 1.00 1.04 N ATOM 863 CA LYS A 57 -1.261 -2.182 -10.375 1.00 1.16 C ATOM 864 C LYS A 57 -0.888 -3.627 -10.672 1.00 1.24 C ATOM 865 O LYS A 57 0.281 -4.013 -10.588 1.00 1.29 O ATOM 866 CB LYS A 57 -1.341 -1.375 -11.674 1.00 1.29 C ATOM 867 CG LYS A 57 -1.760 0.072 -11.458 1.00 1.53 C ATOM 868 CD LYS A 57 -1.806 0.849 -12.763 1.00 1.65 C ATOM 869 CE LYS A 57 -2.920 0.366 -13.671 1.00 1.90 C ATOM 870 NZ LYS A 57 -2.946 1.110 -14.957 1.00 2.48 N1+ ATOM 871 H LYS A 57 0.579 -1.296 -9.834 1.00 1.09 H ATOM 872 HA LYS A 57 -2.225 -2.164 -9.888 1.00 1.17 H ATOM 873 HB2 LYS A 57 -0.369 -1.382 -12.148 1.00 1.47 H ATOM 874 HB3 LYS A 57 -2.057 -1.842 -12.333 1.00 1.54 H ATOM 875 HG2 LYS A 57 -2.741 0.087 -11.012 1.00 1.83 H ATOM 876 HG3 LYS A 57 -1.055 0.547 -10.792 1.00 1.77 H ATOM 877 HD2 LYS A 57 -1.967 1.892 -12.542 1.00 1.84 H ATOM 878 HD3 LYS A 57 -0.862 0.729 -13.272 1.00 1.93 H ATOM 879 HE2 LYS A 57 -2.774 -0.682 -13.873 1.00 2.26 H ATOM 880 HE3 LYS A 57 -3.864 0.507 -13.166 1.00 2.25 H ATOM 881 HZ1 LYS A 57 -2.053 0.966 -15.472 1.00 2.92 H ATOM 882 HZ2 LYS A 57 -3.066 2.128 -14.781 1.00 2.73 H ATOM 883 HZ3 LYS A 57 -3.732 0.777 -15.548 1.00 2.93 H ATOM 884 N CYS A 58 -1.892 -4.420 -11.007 1.00 1.32 N ATOM 885 CA CYS A 58 -1.692 -5.830 -11.300 1.00 1.44 C ATOM 886 C CYS A 58 -1.192 -6.023 -12.725 1.00 1.56 C ATOM 887 O CYS A 58 -1.926 -5.793 -13.687 1.00 1.73 O ATOM 888 CB CYS A 58 -2.998 -6.608 -11.108 1.00 1.57 C ATOM 889 SG CYS A 58 -3.666 -6.532 -9.417 1.00 1.71 S ATOM 890 H CYS A 58 -2.797 -4.045 -11.060 1.00 1.36 H ATOM 891 HA CYS A 58 -0.949 -6.210 -10.615 1.00 1.41 H ATOM 892 HB2 CYS A 58 -3.749 -6.207 -11.773 1.00 1.75 H ATOM 893 HB3 CYS A 58 -2.831 -7.647 -11.349 1.00 1.77 H ATOM 894 N ARG A 59 0.059 -6.434 -12.859 1.00 1.59 N ATOM 895 CA ARG A 59 0.614 -6.759 -14.166 1.00 1.77 C ATOM 896 C ARG A 59 0.585 -8.269 -14.366 1.00 1.90 C ATOM 897 O ARG A 59 1.265 -8.817 -15.236 1.00 2.31 O ATOM 898 CB ARG A 59 2.040 -6.214 -14.313 1.00 1.88 C ATOM 899 CG ARG A 59 3.017 -6.744 -13.282 1.00 1.83 C ATOM 900 CD ARG A 59 4.427 -6.235 -13.534 1.00 1.95 C ATOM 901 NE ARG A 59 4.954 -6.672 -14.825 1.00 2.38 N ATOM 902 CZ ARG A 59 6.129 -6.287 -15.319 1.00 2.74 C ATOM 903 NH1 ARG A 59 6.903 -5.455 -14.631 1.00 2.68 N1+ ATOM 904 NH2 ARG A 59 6.531 -6.735 -16.501 1.00 3.48 N ATOM 905 H ARG A 59 0.622 -6.532 -12.060 1.00 1.56 H ATOM 906 HA ARG A 59 -0.017 -6.299 -14.911 1.00 1.86 H ATOM 907 HB2 ARG A 59 2.413 -6.472 -15.291 1.00 2.22 H ATOM 908 HB3 ARG A 59 2.010 -5.138 -14.223 1.00 2.21 H ATOM 909 HG2 ARG A 59 2.699 -6.420 -12.304 1.00 2.07 H ATOM 910 HG3 ARG A 59 3.019 -7.823 -13.324 1.00 2.08 H ATOM 911 HD2 ARG A 59 4.413 -5.159 -13.512 1.00 2.05 H ATOM 912 HD3 ARG A 59 5.073 -6.600 -12.749 1.00 2.23 H ATOM 913 HE ARG A 59 4.398 -7.292 -15.351 1.00 2.71 H ATOM 914 HH11 ARG A 59 6.609 -5.114 -13.736 1.00 2.48 H ATOM 915 HH12 ARG A 59 7.788 -5.166 -15.004 1.00 3.09 H ATOM 916 HH21 ARG A 59 5.950 -7.365 -17.025 1.00 3.82 H ATOM 917 HH22 ARG A 59 7.416 -6.448 -16.878 1.00 3.84 H ATOM 918 N ALA A 60 -0.222 -8.921 -13.540 1.00 2.07 N ATOM 919 CA ALA A 60 -0.409 -10.361 -13.578 1.00 2.24 C ATOM 920 C ALA A 60 -1.615 -10.721 -12.727 1.00 2.12 C ATOM 921 O ALA A 60 -2.181 -9.853 -12.059 1.00 2.38 O ATOM 922 CB ALA A 60 0.832 -11.082 -13.064 1.00 2.58 C ATOM 923 H ALA A 60 -0.725 -8.408 -12.874 1.00 2.39 H ATOM 924 HA ALA A 60 -0.588 -10.657 -14.602 1.00 2.37 H ATOM 925 HB1 ALA A 60 0.680 -12.149 -13.127 1.00 2.87 H ATOM 926 HB2 ALA A 60 1.010 -10.803 -12.036 1.00 2.75 H ATOM 927 HB3 ALA A 60 1.685 -10.804 -13.665 1.00 2.96 H ATOM 928 N SER A 61 -2.014 -11.983 -12.761 1.00 2.10 N ATOM 929 CA SER A 61 -3.129 -12.444 -11.949 1.00 2.07 C ATOM 930 C SER A 61 -2.935 -13.902 -11.549 1.00 2.12 C ATOM 931 O SER A 61 -3.378 -14.334 -10.487 1.00 2.76 O ATOM 932 CB SER A 61 -4.449 -12.269 -12.704 1.00 2.14 C ATOM 933 OG SER A 61 -5.559 -12.607 -11.885 1.00 2.62 O ATOM 934 H SER A 61 -1.552 -12.617 -13.346 1.00 2.34 H ATOM 935 HA SER A 61 -3.157 -11.842 -11.053 1.00 2.10 H ATOM 936 HB2 SER A 61 -4.548 -11.240 -13.015 1.00 2.35 H ATOM 937 HB3 SER A 61 -4.450 -12.910 -13.573 1.00 2.34 H ATOM 938 HG SER A 61 -5.638 -13.568 -11.841 1.00 3.02 H ATOM 939 N ASN A 62 -2.281 -14.659 -12.416 1.00 1.95 N ATOM 940 CA ASN A 62 -1.965 -16.053 -12.141 1.00 1.94 C ATOM 941 C ASN A 62 -0.563 -16.350 -12.657 1.00 1.99 C ATOM 942 O ASN A 62 -0.402 -16.961 -13.713 1.00 2.15 O ATOM 943 CB ASN A 62 -2.987 -16.990 -12.804 1.00 2.11 C ATOM 944 CG ASN A 62 -4.415 -16.702 -12.376 1.00 2.28 C ATOM 945 OD1 ASN A 62 -5.144 -15.964 -13.047 1.00 2.59 O ATOM 946 ND2 ASN A 62 -4.825 -17.264 -11.250 1.00 2.36 N ATOM 947 H ASN A 62 -2.000 -14.273 -13.270 1.00 2.23 H ATOM 948 HA ASN A 62 -1.990 -16.198 -11.071 1.00 1.94 H ATOM 949 HB2 ASN A 62 -2.926 -16.878 -13.878 1.00 2.23 H ATOM 950 HB3 ASN A 62 -2.750 -18.012 -12.543 1.00 2.19 H ATOM 951 HD21 ASN A 62 -4.196 -17.831 -10.759 1.00 2.37 H ATOM 952 HD22 ASN A 62 -5.742 -17.084 -10.944 1.00 2.57 H ATOM 953 N PRO A 63 0.473 -15.905 -11.913 1.00 2.07 N ATOM 954 CA PRO A 63 1.874 -15.957 -12.359 1.00 2.32 C ATOM 955 C PRO A 63 2.309 -17.334 -12.855 1.00 2.27 C ATOM 956 O PRO A 63 2.988 -17.444 -13.874 1.00 2.57 O ATOM 957 CB PRO A 63 2.683 -15.562 -11.111 1.00 2.52 C ATOM 958 CG PRO A 63 1.715 -15.596 -9.976 1.00 2.43 C ATOM 959 CD PRO A 63 0.363 -15.312 -10.570 1.00 2.18 C ATOM 960 HA PRO A 63 2.055 -15.234 -13.144 1.00 2.57 H ATOM 961 HB2 PRO A 63 3.483 -16.275 -10.962 1.00 2.60 H ATOM 962 HB3 PRO A 63 3.098 -14.572 -11.245 1.00 2.81 H ATOM 963 HG2 PRO A 63 1.729 -16.576 -9.519 1.00 2.45 H ATOM 964 HG3 PRO A 63 1.975 -14.842 -9.248 1.00 2.71 H ATOM 965 HD2 PRO A 63 -0.417 -15.792 -9.992 1.00 2.17 H ATOM 966 HD3 PRO A 63 0.190 -14.242 -10.634 1.00 2.30 H ATOM 967 N VAL A 64 1.911 -18.379 -12.143 1.00 2.06 N ATOM 968 CA VAL A 64 2.342 -19.726 -12.489 1.00 2.15 C ATOM 969 C VAL A 64 1.469 -20.348 -13.574 1.00 2.32 C ATOM 970 O VAL A 64 1.978 -20.770 -14.613 1.00 2.53 O ATOM 971 CB VAL A 64 2.393 -20.658 -11.256 1.00 2.02 C ATOM 972 CG1 VAL A 64 3.607 -20.336 -10.403 1.00 2.08 C ATOM 973 CG2 VAL A 64 1.127 -20.551 -10.419 1.00 1.93 C ATOM 974 H VAL A 64 1.311 -18.242 -11.382 1.00 1.95 H ATOM 975 HA VAL A 64 3.347 -19.646 -12.877 1.00 2.40 H ATOM 976 HB VAL A 64 2.483 -21.676 -11.602 1.00 2.13 H ATOM 977 HG11 VAL A 64 4.500 -20.435 -10.999 1.00 2.36 H ATOM 978 HG12 VAL A 64 3.654 -21.024 -9.572 1.00 2.32 H ATOM 979 HG13 VAL A 64 3.530 -19.325 -10.031 1.00 2.33 H ATOM 980 HG21 VAL A 64 0.273 -20.835 -11.015 1.00 2.25 H ATOM 981 HG22 VAL A 64 1.006 -19.533 -10.080 1.00 2.12 H ATOM 982 HG23 VAL A 64 1.205 -21.207 -9.564 1.00 2.16 H ATOM 983 N GLU A 65 0.162 -20.396 -13.337 1.00 2.45 N ATOM 984 CA GLU A 65 -0.763 -21.013 -14.282 1.00 2.81 C ATOM 985 C GLU A 65 -2.220 -20.702 -13.923 1.00 3.04 C ATOM 986 O GLU A 65 -2.889 -19.961 -14.638 1.00 3.58 O ATOM 987 CB GLU A 65 -0.520 -22.532 -14.367 1.00 3.02 C ATOM 988 CG GLU A 65 -0.398 -23.221 -13.017 1.00 3.42 C ATOM 989 CD GLU A 65 -0.005 -24.676 -13.123 1.00 3.79 C ATOM 990 OE1 GLU A 65 -0.896 -25.523 -13.345 1.00 4.18 O ATOM 991 OE2 GLU A 65 1.191 -24.987 -12.953 1.00 4.19 O1+ ATOM 992 H GLU A 65 -0.188 -19.998 -12.518 1.00 2.41 H ATOM 993 HA GLU A 65 -0.561 -20.582 -15.250 1.00 2.98 H ATOM 994 HB2 GLU A 65 -1.342 -22.984 -14.900 1.00 3.22 H ATOM 995 HB3 GLU A 65 0.391 -22.707 -14.918 1.00 3.18 H ATOM 996 HG2 GLU A 65 0.349 -22.707 -12.433 1.00 3.77 H ATOM 997 HG3 GLU A 65 -1.350 -23.161 -12.515 1.00 3.72 H ATOM 998 N SER A 66 -2.706 -21.248 -12.812 1.00 2.89 N ATOM 999 CA SER A 66 -4.101 -21.062 -12.426 1.00 3.23 C ATOM 1000 C SER A 66 -4.218 -20.449 -11.030 1.00 2.99 C ATOM 1001 O SER A 66 -5.301 -20.055 -10.604 1.00 3.29 O ATOM 1002 CB SER A 66 -4.834 -22.403 -12.472 1.00 3.50 C ATOM 1003 OG SER A 66 -4.639 -23.049 -13.722 1.00 3.90 O ATOM 1004 H SER A 66 -2.123 -21.795 -12.248 1.00 2.74 H ATOM 1005 HA SER A 66 -4.554 -20.390 -13.139 1.00 3.63 H ATOM 1006 HB2 SER A 66 -4.457 -23.045 -11.688 1.00 3.58 H ATOM 1007 HB3 SER A 66 -5.892 -22.240 -12.324 1.00 3.83 H ATOM 1008 HG SER A 66 -4.480 -22.384 -14.406 1.00 4.07 H ATOM 1009 N GLY A 67 -3.103 -20.369 -10.320 1.00 2.60 N ATOM 1010 CA GLY A 67 -3.113 -19.806 -8.988 1.00 2.41 C ATOM 1011 C GLY A 67 -1.941 -18.878 -8.759 1.00 2.01 C ATOM 1012 O GLY A 67 -1.216 -18.543 -9.701 1.00 2.17 O ATOM 1013 H GLY A 67 -2.265 -20.703 -10.696 1.00 2.55 H ATOM 1014 HA2 GLY A 67 -4.032 -19.253 -8.849 1.00 2.70 H ATOM 1015 HA3 GLY A 67 -3.071 -20.612 -8.266 1.00 2.43 H ATOM 1016 N CYS A 68 -1.748 -18.467 -7.518 1.00 1.67 N ATOM 1017 CA CYS A 68 -0.666 -17.556 -7.178 1.00 1.41 C ATOM 1018 C CYS A 68 0.506 -18.297 -6.540 1.00 1.33 C ATOM 1019 O CYS A 68 0.737 -18.198 -5.332 1.00 1.73 O ATOM 1020 CB CYS A 68 -1.167 -16.451 -6.246 1.00 1.27 C ATOM 1021 SG CYS A 68 -2.338 -15.302 -7.032 1.00 1.41 S ATOM 1022 H CYS A 68 -2.349 -18.781 -6.813 1.00 1.76 H ATOM 1023 HA CYS A 68 -0.324 -17.103 -8.098 1.00 1.62 H ATOM 1024 HB2 CYS A 68 -1.666 -16.899 -5.398 1.00 1.49 H ATOM 1025 HB3 CYS A 68 -0.321 -15.870 -5.898 1.00 1.40 H ATOM 1026 N ARG A 69 1.211 -19.064 -7.370 1.00 1.26 N ATOM 1027 CA ARG A 69 2.478 -19.711 -7.006 1.00 1.31 C ATOM 1028 C ARG A 69 2.279 -20.856 -6.017 1.00 1.27 C ATOM 1029 O ARG A 69 2.400 -22.028 -6.381 1.00 1.43 O ATOM 1030 CB ARG A 69 3.474 -18.688 -6.440 1.00 1.48 C ATOM 1031 CG ARG A 69 3.737 -17.511 -7.365 1.00 1.91 C ATOM 1032 CD ARG A 69 4.830 -16.604 -6.824 1.00 2.10 C ATOM 1033 NE ARG A 69 6.148 -17.230 -6.897 1.00 2.57 N ATOM 1034 CZ ARG A 69 7.291 -16.573 -6.696 1.00 3.04 C ATOM 1035 NH1 ARG A 69 7.272 -15.296 -6.323 1.00 3.00 N1+ ATOM 1036 NH2 ARG A 69 8.451 -17.197 -6.857 1.00 3.94 N ATOM 1037 H ARG A 69 0.852 -19.221 -8.266 1.00 1.51 H ATOM 1038 HA ARG A 69 2.894 -20.126 -7.911 1.00 1.42 H ATOM 1039 HB2 ARG A 69 3.083 -18.302 -5.509 1.00 1.71 H ATOM 1040 HB3 ARG A 69 4.413 -19.188 -6.247 1.00 1.71 H ATOM 1041 HG2 ARG A 69 4.038 -17.882 -8.334 1.00 2.26 H ATOM 1042 HG3 ARG A 69 2.826 -16.938 -7.466 1.00 2.24 H ATOM 1043 HD2 ARG A 69 4.845 -15.689 -7.402 1.00 2.42 H ATOM 1044 HD3 ARG A 69 4.608 -16.373 -5.792 1.00 2.34 H ATOM 1045 HE ARG A 69 6.182 -18.186 -7.138 1.00 2.93 H ATOM 1046 HH11 ARG A 69 6.396 -14.820 -6.184 1.00 2.79 H ATOM 1047 HH12 ARG A 69 8.131 -14.798 -6.186 1.00 3.48 H ATOM 1048 HH21 ARG A 69 8.473 -18.165 -7.125 1.00 4.34 H ATOM 1049 HH22 ARG A 69 9.313 -16.702 -6.725 1.00 4.40 H ATOM 1050 N GLY A 70 1.979 -20.519 -4.777 1.00 1.32 N ATOM 1051 CA GLY A 70 1.839 -21.532 -3.754 1.00 1.42 C ATOM 1052 C GLY A 70 0.401 -21.930 -3.516 1.00 1.41 C ATOM 1053 O GLY A 70 0.143 -22.976 -2.927 1.00 1.61 O ATOM 1054 H GLY A 70 1.844 -19.570 -4.557 1.00 1.44 H ATOM 1055 HA2 GLY A 70 2.398 -22.407 -4.054 1.00 1.61 H ATOM 1056 HA3 GLY A 70 2.254 -21.156 -2.830 1.00 1.44 H ATOM 1057 N ILE A 71 -0.534 -21.103 -3.969 1.00 1.32 N ATOM 1058 CA ILE A 71 -1.953 -21.349 -3.735 1.00 1.42 C ATOM 1059 C ILE A 71 -2.420 -22.610 -4.453 1.00 1.57 C ATOM 1060 O ILE A 71 -2.245 -22.745 -5.664 1.00 1.64 O ATOM 1061 CB ILE A 71 -2.827 -20.166 -4.203 1.00 1.43 C ATOM 1062 CG1 ILE A 71 -2.431 -18.869 -3.489 1.00 1.34 C ATOM 1063 CG2 ILE A 71 -4.299 -20.476 -3.960 1.00 1.65 C ATOM 1064 CD1 ILE A 71 -2.662 -18.896 -1.992 1.00 1.25 C ATOM 1065 H ILE A 71 -0.265 -20.315 -4.484 1.00 1.31 H ATOM 1066 HA ILE A 71 -2.097 -21.479 -2.673 1.00 1.48 H ATOM 1067 HB ILE A 71 -2.685 -20.042 -5.266 1.00 1.46 H ATOM 1068 HG12 ILE A 71 -1.382 -18.679 -3.658 1.00 1.47 H ATOM 1069 HG13 ILE A 71 -3.007 -18.052 -3.898 1.00 1.46 H ATOM 1070 HG21 ILE A 71 -4.464 -20.645 -2.906 1.00 1.96 H ATOM 1071 HG22 ILE A 71 -4.576 -21.361 -4.514 1.00 1.95 H ATOM 1072 HG23 ILE A 71 -4.901 -19.642 -4.290 1.00 2.04 H ATOM 1073 HD11 ILE A 71 -2.385 -17.942 -1.567 1.00 1.55 H ATOM 1074 HD12 ILE A 71 -2.058 -19.674 -1.548 1.00 1.71 H ATOM 1075 HD13 ILE A 71 -3.705 -19.090 -1.790 1.00 1.59 H ATOM 1076 N ASP A 72 -3.005 -23.528 -3.695 1.00 1.81 N ATOM 1077 CA ASP A 72 -3.596 -24.731 -4.264 1.00 2.05 C ATOM 1078 C ASP A 72 -4.831 -24.366 -5.077 1.00 2.29 C ATOM 1079 O ASP A 72 -5.881 -24.044 -4.520 1.00 3.01 O ATOM 1080 CB ASP A 72 -3.969 -25.725 -3.162 1.00 2.74 C ATOM 1081 CG ASP A 72 -4.542 -27.013 -3.720 1.00 2.82 C ATOM 1082 OD1 ASP A 72 -5.775 -27.107 -3.860 1.00 3.14 O ATOM 1083 OD2 ASP A 72 -3.759 -27.942 -4.020 1.00 3.32 O1+ ATOM 1084 H ASP A 72 -3.036 -23.394 -2.723 1.00 1.93 H ATOM 1085 HA ASP A 72 -2.864 -25.183 -4.918 1.00 2.10 H ATOM 1086 HB2 ASP A 72 -3.088 -25.966 -2.587 1.00 3.12 H ATOM 1087 HB3 ASP A 72 -4.707 -25.276 -2.513 1.00 3.22 H ATOM 1088 N SER A 73 -4.695 -24.425 -6.393 1.00 2.28 N ATOM 1089 CA SER A 73 -5.750 -23.999 -7.301 1.00 2.98 C ATOM 1090 C SER A 73 -6.944 -24.954 -7.281 1.00 2.65 C ATOM 1091 O SER A 73 -8.013 -24.635 -7.802 1.00 3.09 O ATOM 1092 CB SER A 73 -5.185 -23.893 -8.718 1.00 3.92 C ATOM 1093 OG SER A 73 -4.475 -25.072 -9.065 1.00 4.63 O ATOM 1094 H SER A 73 -3.855 -24.760 -6.770 1.00 2.23 H ATOM 1095 HA SER A 73 -6.083 -23.022 -6.983 1.00 3.49 H ATOM 1096 HB2 SER A 73 -5.995 -23.757 -9.420 1.00 4.29 H ATOM 1097 HB3 SER A 73 -4.509 -23.050 -8.777 1.00 4.18 H ATOM 1098 HG SER A 73 -3.693 -24.834 -9.580 1.00 4.99 H ATOM 1099 N LYS A 74 -6.764 -26.123 -6.677 1.00 2.19 N ATOM 1100 CA LYS A 74 -7.823 -27.117 -6.624 1.00 2.08 C ATOM 1101 C LYS A 74 -8.812 -26.789 -5.512 1.00 2.00 C ATOM 1102 O LYS A 74 -10.006 -27.066 -5.626 1.00 2.17 O ATOM 1103 CB LYS A 74 -7.229 -28.513 -6.416 1.00 2.15 C ATOM 1104 CG LYS A 74 -8.250 -29.635 -6.508 1.00 2.33 C ATOM 1105 CD LYS A 74 -7.632 -30.981 -6.174 1.00 2.50 C ATOM 1106 CE LYS A 74 -6.507 -31.337 -7.129 1.00 2.69 C ATOM 1107 NZ LYS A 74 -5.989 -32.706 -6.890 1.00 3.06 N1+ ATOM 1108 H LYS A 74 -5.901 -26.319 -6.256 1.00 2.26 H ATOM 1109 HA LYS A 74 -8.343 -27.093 -7.566 1.00 2.23 H ATOM 1110 HB2 LYS A 74 -6.472 -28.683 -7.165 1.00 2.48 H ATOM 1111 HB3 LYS A 74 -6.768 -28.555 -5.441 1.00 2.39 H ATOM 1112 HG2 LYS A 74 -9.053 -29.436 -5.814 1.00 2.60 H ATOM 1113 HG3 LYS A 74 -8.641 -29.669 -7.513 1.00 2.69 H ATOM 1114 HD2 LYS A 74 -7.236 -30.941 -5.173 1.00 2.69 H ATOM 1115 HD3 LYS A 74 -8.396 -31.740 -6.232 1.00 2.66 H ATOM 1116 HE2 LYS A 74 -6.875 -31.270 -8.140 1.00 2.79 H ATOM 1117 HE3 LYS A 74 -5.704 -30.629 -6.993 1.00 2.80 H ATOM 1118 HZ1 LYS A 74 -5.690 -32.807 -5.901 1.00 3.31 H ATOM 1119 HZ2 LYS A 74 -5.173 -32.894 -7.506 1.00 3.32 H ATOM 1120 HZ3 LYS A 74 -6.726 -33.412 -7.091 1.00 3.27 H ATOM 1121 N HIS A 75 -8.315 -26.195 -4.440 1.00 1.87 N ATOM 1122 CA HIS A 75 -9.164 -25.832 -3.316 1.00 1.91 C ATOM 1123 C HIS A 75 -9.540 -24.355 -3.372 1.00 1.76 C ATOM 1124 O HIS A 75 -10.617 -23.965 -2.924 1.00 1.85 O ATOM 1125 CB HIS A 75 -8.463 -26.148 -1.987 1.00 2.06 C ATOM 1126 CG HIS A 75 -9.325 -25.927 -0.777 1.00 2.42 C ATOM 1127 ND1 HIS A 75 -8.957 -25.115 0.275 1.00 3.01 N ATOM 1128 CD2 HIS A 75 -10.541 -26.428 -0.454 1.00 2.91 C ATOM 1129 CE1 HIS A 75 -9.907 -25.125 1.190 1.00 3.51 C ATOM 1130 NE2 HIS A 75 -10.880 -25.913 0.774 1.00 3.44 N ATOM 1131 H HIS A 75 -7.349 -26.010 -4.398 1.00 1.86 H ATOM 1132 HA HIS A 75 -10.068 -26.420 -3.385 1.00 2.08 H ATOM 1133 HB2 HIS A 75 -8.154 -27.183 -1.987 1.00 2.15 H ATOM 1134 HB3 HIS A 75 -7.590 -25.518 -1.892 1.00 2.27 H ATOM 1135 HD1 HIS A 75 -8.117 -24.610 0.346 1.00 3.34 H ATOM 1136 HD2 HIS A 75 -11.135 -27.107 -1.048 1.00 3.24 H ATOM 1137 HE1 HIS A 75 -9.893 -24.578 2.122 1.00 4.16 H ATOM 1138 HE2 HIS A 75 -11.598 -26.263 1.349 1.00 3.97 H ATOM 1139 N TRP A 76 -8.659 -23.538 -3.929 1.00 1.64 N ATOM 1140 CA TRP A 76 -8.885 -22.101 -3.969 1.00 1.54 C ATOM 1141 C TRP A 76 -8.759 -21.547 -5.377 1.00 1.63 C ATOM 1142 O TRP A 76 -7.889 -21.952 -6.146 1.00 1.75 O ATOM 1143 CB TRP A 76 -7.901 -21.369 -3.054 1.00 1.42 C ATOM 1144 CG TRP A 76 -8.204 -21.513 -1.597 1.00 1.56 C ATOM 1145 CD1 TRP A 76 -7.453 -22.166 -0.665 1.00 1.71 C ATOM 1146 CD2 TRP A 76 -9.342 -20.989 -0.902 1.00 1.96 C ATOM 1147 NE1 TRP A 76 -8.050 -22.073 0.568 1.00 2.03 N ATOM 1148 CE2 TRP A 76 -9.212 -21.358 0.447 1.00 2.23 C ATOM 1149 CE3 TRP A 76 -10.458 -20.241 -1.291 1.00 2.34 C ATOM 1150 CZ2 TRP A 76 -10.152 -21.004 1.410 1.00 2.81 C ATOM 1151 CZ3 TRP A 76 -11.392 -19.891 -0.335 1.00 2.96 C ATOM 1152 CH2 TRP A 76 -11.234 -20.273 1.002 1.00 3.17 C ATOM 1153 H TRP A 76 -7.840 -23.905 -4.329 1.00 1.70 H ATOM 1154 HA TRP A 76 -9.890 -21.918 -3.616 1.00 1.60 H ATOM 1155 HB2 TRP A 76 -6.906 -21.758 -3.224 1.00 1.50 H ATOM 1156 HB3 TRP A 76 -7.914 -20.316 -3.295 1.00 1.42 H ATOM 1157 HD1 TRP A 76 -6.523 -22.675 -0.878 1.00 1.82 H ATOM 1158 HE1 TRP A 76 -7.699 -22.459 1.401 1.00 2.25 H ATOM 1159 HE3 TRP A 76 -10.599 -19.936 -2.319 1.00 2.27 H ATOM 1160 HZ2 TRP A 76 -10.045 -21.291 2.444 1.00 3.07 H ATOM 1161 HZ3 TRP A 76 -12.261 -19.314 -0.617 1.00 3.37 H ATOM 1162 HH2 TRP A 76 -11.988 -19.979 1.716 1.00 3.71 H ATOM 1163 N ASN A 77 -9.643 -20.622 -5.704 1.00 1.69 N ATOM 1164 CA ASN A 77 -9.527 -19.844 -6.925 1.00 1.80 C ATOM 1165 C ASN A 77 -8.797 -18.556 -6.591 1.00 1.61 C ATOM 1166 O ASN A 77 -9.099 -17.919 -5.584 1.00 1.51 O ATOM 1167 CB ASN A 77 -10.915 -19.534 -7.501 1.00 2.08 C ATOM 1168 CG ASN A 77 -10.879 -18.607 -8.706 1.00 2.31 C ATOM 1169 OD1 ASN A 77 -11.729 -17.729 -8.849 1.00 2.66 O ATOM 1170 ND2 ASN A 77 -9.926 -18.819 -9.602 1.00 2.69 N ATOM 1171 H ASN A 77 -10.394 -20.443 -5.095 1.00 1.73 H ATOM 1172 HA ASN A 77 -8.949 -20.410 -7.639 1.00 1.90 H ATOM 1173 HB2 ASN A 77 -11.382 -20.457 -7.803 1.00 2.29 H ATOM 1174 HB3 ASN A 77 -11.517 -19.076 -6.736 1.00 2.12 H ATOM 1175 HD21 ASN A 77 -9.299 -19.561 -9.451 1.00 3.00 H ATOM 1176 HD22 ASN A 77 -9.886 -18.226 -10.385 1.00 2.94 H ATOM 1177 N SER A 78 -7.835 -18.178 -7.409 1.00 1.67 N ATOM 1178 CA SER A 78 -7.036 -17.003 -7.121 1.00 1.53 C ATOM 1179 C SER A 78 -7.018 -16.039 -8.293 1.00 1.58 C ATOM 1180 O SER A 78 -6.939 -16.449 -9.455 1.00 1.76 O ATOM 1181 CB SER A 78 -5.609 -17.414 -6.769 1.00 1.61 C ATOM 1182 OG SER A 78 -5.609 -18.388 -5.744 1.00 1.93 O ATOM 1183 H SER A 78 -7.657 -18.697 -8.223 1.00 1.87 H ATOM 1184 HA SER A 78 -7.475 -16.507 -6.269 1.00 1.50 H ATOM 1185 HB2 SER A 78 -5.125 -17.825 -7.642 1.00 2.01 H ATOM 1186 HB3 SER A 78 -5.059 -16.550 -6.426 1.00 1.85 H ATOM 1187 HG SER A 78 -6.513 -18.532 -5.443 1.00 2.16 H ATOM 1188 N TYR A 79 -7.116 -14.762 -7.976 1.00 1.51 N ATOM 1189 CA TYR A 79 -6.948 -13.712 -8.960 1.00 1.60 C ATOM 1190 C TYR A 79 -6.465 -12.441 -8.275 1.00 1.44 C ATOM 1191 O TYR A 79 -6.862 -12.139 -7.140 1.00 1.36 O ATOM 1192 CB TYR A 79 -8.243 -13.472 -9.764 1.00 1.88 C ATOM 1193 CG TYR A 79 -9.498 -13.240 -8.940 1.00 1.88 C ATOM 1194 CD1 TYR A 79 -9.965 -11.956 -8.689 1.00 1.92 C ATOM 1195 CD2 TYR A 79 -10.230 -14.312 -8.440 1.00 2.38 C ATOM 1196 CE1 TYR A 79 -11.124 -11.746 -7.963 1.00 2.32 C ATOM 1197 CE2 TYR A 79 -11.387 -14.110 -7.709 1.00 3.05 C ATOM 1198 CZ TYR A 79 -11.831 -12.827 -7.475 1.00 2.97 C ATOM 1199 OH TYR A 79 -12.987 -12.621 -6.752 1.00 3.73 O ATOM 1200 H TYR A 79 -7.308 -14.512 -7.044 1.00 1.47 H ATOM 1201 HA TYR A 79 -6.174 -14.041 -9.642 1.00 1.68 H ATOM 1202 HB2 TYR A 79 -8.104 -12.604 -10.392 1.00 2.20 H ATOM 1203 HB3 TYR A 79 -8.422 -14.334 -10.394 1.00 2.29 H ATOM 1204 HD1 TYR A 79 -9.408 -11.110 -9.068 1.00 1.98 H ATOM 1205 HD2 TYR A 79 -9.880 -15.318 -8.622 1.00 2.48 H ATOM 1206 HE1 TYR A 79 -11.472 -10.740 -7.778 1.00 2.36 H ATOM 1207 HE2 TYR A 79 -11.938 -14.956 -7.328 1.00 3.73 H ATOM 1208 HH TYR A 79 -12.993 -13.205 -5.982 1.00 4.07 H ATOM 1209 N CYS A 80 -5.576 -11.729 -8.951 1.00 1.46 N ATOM 1210 CA CYS A 80 -4.974 -10.531 -8.393 1.00 1.34 C ATOM 1211 C CYS A 80 -5.896 -9.334 -8.564 1.00 1.42 C ATOM 1212 O CYS A 80 -6.310 -9.007 -9.677 1.00 1.67 O ATOM 1213 CB CYS A 80 -3.623 -10.257 -9.056 1.00 1.42 C ATOM 1214 SG CYS A 80 -2.408 -11.594 -8.833 1.00 1.48 S ATOM 1215 H CYS A 80 -5.313 -12.020 -9.851 1.00 1.59 H ATOM 1216 HA CYS A 80 -4.818 -10.700 -7.337 1.00 1.22 H ATOM 1217 HB2 CYS A 80 -3.772 -10.120 -10.119 1.00 1.61 H ATOM 1218 HB3 CYS A 80 -3.200 -9.353 -8.636 1.00 1.39 H ATOM 1219 N THR A 81 -6.229 -8.702 -7.453 1.00 1.29 N ATOM 1220 CA THR A 81 -7.093 -7.541 -7.455 1.00 1.39 C ATOM 1221 C THR A 81 -6.433 -6.413 -6.672 1.00 1.25 C ATOM 1222 O THR A 81 -5.828 -6.649 -5.624 1.00 1.40 O ATOM 1223 CB THR A 81 -8.465 -7.884 -6.838 1.00 1.72 C ATOM 1224 OG1 THR A 81 -9.011 -9.034 -7.495 1.00 2.24 O ATOM 1225 CG2 THR A 81 -9.436 -6.719 -6.962 1.00 1.93 C ATOM 1226 H THR A 81 -5.870 -9.026 -6.591 1.00 1.23 H ATOM 1227 HA THR A 81 -7.238 -7.230 -8.480 1.00 1.56 H ATOM 1228 HB THR A 81 -8.327 -8.110 -5.790 1.00 1.95 H ATOM 1229 HG1 THR A 81 -8.297 -9.637 -7.724 1.00 2.49 H ATOM 1230 HG21 THR A 81 -9.604 -6.497 -8.005 1.00 2.15 H ATOM 1231 HG22 THR A 81 -9.022 -5.852 -6.471 1.00 2.16 H ATOM 1232 HG23 THR A 81 -10.375 -6.982 -6.495 1.00 2.47 H ATOM 1233 N THR A 82 -6.518 -5.197 -7.190 1.00 1.35 N ATOM 1234 CA THR A 82 -5.916 -4.058 -6.530 1.00 1.47 C ATOM 1235 C THR A 82 -6.834 -3.486 -5.459 1.00 1.37 C ATOM 1236 O THR A 82 -7.978 -3.115 -5.734 1.00 1.91 O ATOM 1237 CB THR A 82 -5.547 -2.958 -7.538 1.00 2.18 C ATOM 1238 OG1 THR A 82 -6.624 -2.743 -8.461 1.00 2.78 O ATOM 1239 CG2 THR A 82 -4.285 -3.319 -8.301 1.00 2.66 C ATOM 1240 H THR A 82 -6.993 -5.060 -8.038 1.00 1.56 H ATOM 1241 HA THR A 82 -5.007 -4.397 -6.056 1.00 1.54 H ATOM 1242 HB THR A 82 -5.367 -2.041 -6.994 1.00 2.46 H ATOM 1243 HG1 THR A 82 -6.592 -1.820 -8.767 1.00 3.00 H ATOM 1244 HG21 THR A 82 -4.428 -4.261 -8.809 1.00 3.09 H ATOM 1245 HG22 THR A 82 -3.459 -3.407 -7.609 1.00 2.96 H ATOM 1246 HG23 THR A 82 -4.068 -2.548 -9.024 1.00 2.98 H ATOM 1247 N THR A 83 -6.334 -3.438 -4.236 1.00 1.15 N ATOM 1248 CA THR A 83 -7.049 -2.804 -3.150 1.00 1.29 C ATOM 1249 C THR A 83 -6.923 -1.294 -3.290 1.00 1.00 C ATOM 1250 O THR A 83 -5.837 -0.781 -3.568 1.00 1.42 O ATOM 1251 CB THR A 83 -6.489 -3.253 -1.787 1.00 2.04 C ATOM 1252 OG1 THR A 83 -6.404 -4.683 -1.753 1.00 2.69 O ATOM 1253 CG2 THR A 83 -7.373 -2.768 -0.646 1.00 2.60 C ATOM 1254 H THR A 83 -5.450 -3.840 -4.061 1.00 1.29 H ATOM 1255 HA THR A 83 -8.088 -3.087 -3.214 1.00 1.67 H ATOM 1256 HB THR A 83 -5.502 -2.837 -1.664 1.00 2.56 H ATOM 1257 HG1 THR A 83 -7.119 -5.060 -2.279 1.00 3.17 H ATOM 1258 HG21 THR A 83 -6.955 -3.092 0.296 1.00 3.04 H ATOM 1259 HG22 THR A 83 -8.367 -3.176 -0.759 1.00 2.95 H ATOM 1260 HG23 THR A 83 -7.423 -1.689 -0.664 1.00 2.95 H ATOM 1261 N HIS A 84 -8.027 -0.585 -3.134 1.00 1.07 N ATOM 1262 CA HIS A 84 -8.029 0.857 -3.327 1.00 1.19 C ATOM 1263 C HIS A 84 -8.118 1.574 -1.993 1.00 1.16 C ATOM 1264 O HIS A 84 -9.058 1.363 -1.226 1.00 1.55 O ATOM 1265 CB HIS A 84 -9.187 1.279 -4.239 1.00 1.91 C ATOM 1266 CG HIS A 84 -9.085 0.716 -5.624 1.00 2.36 C ATOM 1267 ND1 HIS A 84 -9.754 -0.419 -6.024 1.00 2.97 N ATOM 1268 CD2 HIS A 84 -8.375 1.126 -6.700 1.00 3.03 C ATOM 1269 CE1 HIS A 84 -9.456 -0.684 -7.280 1.00 3.66 C ATOM 1270 NE2 HIS A 84 -8.620 0.237 -7.717 1.00 3.71 N ATOM 1271 H HIS A 84 -8.860 -1.039 -2.875 1.00 1.48 H ATOM 1272 HA HIS A 84 -7.095 1.123 -3.801 1.00 1.28 H ATOM 1273 HB2 HIS A 84 -10.119 0.941 -3.809 1.00 2.28 H ATOM 1274 HB3 HIS A 84 -9.203 2.357 -4.316 1.00 2.45 H ATOM 1275 HD1 HIS A 84 -10.362 -0.952 -5.465 1.00 3.23 H ATOM 1276 HD2 HIS A 84 -7.735 1.996 -6.754 1.00 3.38 H ATOM 1277 HE1 HIS A 84 -9.831 -1.517 -7.855 1.00 4.37 H ATOM 1278 HE2 HIS A 84 -8.048 0.134 -8.516 1.00 4.40 H ATOM 1279 N THR A 85 -7.135 2.416 -1.718 1.00 0.98 N ATOM 1280 CA THR A 85 -7.108 3.166 -0.473 1.00 1.03 C ATOM 1281 C THR A 85 -7.390 4.632 -0.755 1.00 0.97 C ATOM 1282 O THR A 85 -7.266 5.080 -1.893 1.00 0.94 O ATOM 1283 CB THR A 85 -5.745 3.033 0.252 1.00 1.13 C ATOM 1284 OG1 THR A 85 -5.894 3.362 1.640 1.00 1.48 O ATOM 1285 CG2 THR A 85 -4.700 3.953 -0.369 1.00 1.09 C ATOM 1286 H THR A 85 -6.414 2.548 -2.377 1.00 1.04 H ATOM 1287 HA THR A 85 -7.883 2.774 0.172 1.00 1.21 H ATOM 1288 HB THR A 85 -5.402 2.011 0.164 1.00 1.29 H ATOM 1289 HG1 THR A 85 -5.169 2.976 2.140 1.00 1.61 H ATOM 1290 HG21 THR A 85 -4.573 3.702 -1.413 1.00 1.49 H ATOM 1291 HG22 THR A 85 -3.759 3.830 0.146 1.00 1.40 H ATOM 1292 HG23 THR A 85 -5.027 4.978 -0.283 1.00 1.61 H ATOM 1293 N PHE A 86 -7.758 5.376 0.274 1.00 1.08 N ATOM 1294 CA PHE A 86 -8.081 6.781 0.111 1.00 1.06 C ATOM 1295 C PHE A 86 -6.934 7.643 0.620 1.00 1.08 C ATOM 1296 O PHE A 86 -6.596 7.608 1.803 1.00 1.21 O ATOM 1297 CB PHE A 86 -9.382 7.125 0.845 1.00 1.21 C ATOM 1298 CG PHE A 86 -10.546 6.272 0.420 1.00 1.20 C ATOM 1299 CD1 PHE A 86 -11.226 6.542 -0.757 1.00 1.70 C ATOM 1300 CD2 PHE A 86 -10.956 5.200 1.198 1.00 1.66 C ATOM 1301 CE1 PHE A 86 -12.293 5.757 -1.150 1.00 1.67 C ATOM 1302 CE2 PHE A 86 -12.023 4.414 0.808 1.00 1.75 C ATOM 1303 CZ PHE A 86 -12.692 4.692 -0.368 1.00 1.29 C ATOM 1304 H PHE A 86 -7.788 4.976 1.168 1.00 1.22 H ATOM 1305 HA PHE A 86 -8.212 6.967 -0.948 1.00 0.96 H ATOM 1306 HB2 PHE A 86 -9.238 6.988 1.909 1.00 1.33 H ATOM 1307 HB3 PHE A 86 -9.638 8.155 0.647 1.00 1.26 H ATOM 1308 HD1 PHE A 86 -10.915 7.373 -1.370 1.00 2.46 H ATOM 1309 HD2 PHE A 86 -10.433 4.981 2.117 1.00 2.34 H ATOM 1310 HE1 PHE A 86 -12.815 5.979 -2.072 1.00 2.36 H ATOM 1311 HE2 PHE A 86 -12.333 3.581 1.422 1.00 2.52 H ATOM 1312 HZ PHE A 86 -13.526 4.077 -0.672 1.00 1.35 H ATOM 1313 N VAL A 87 -6.337 8.411 -0.277 1.00 0.99 N ATOM 1314 CA VAL A 87 -5.178 9.216 0.066 1.00 1.04 C ATOM 1315 C VAL A 87 -5.518 10.699 0.094 1.00 1.05 C ATOM 1316 O VAL A 87 -6.262 11.203 -0.753 1.00 0.96 O ATOM 1317 CB VAL A 87 -4.003 8.981 -0.913 1.00 1.01 C ATOM 1318 CG1 VAL A 87 -3.454 7.574 -0.767 1.00 1.08 C ATOM 1319 CG2 VAL A 87 -4.425 9.231 -2.353 1.00 0.91 C ATOM 1320 H VAL A 87 -6.685 8.435 -1.195 1.00 0.90 H ATOM 1321 HA VAL A 87 -4.854 8.915 1.054 1.00 1.17 H ATOM 1322 HB VAL A 87 -3.213 9.674 -0.670 1.00 1.07 H ATOM 1323 HG11 VAL A 87 -3.068 7.440 0.233 1.00 1.50 H ATOM 1324 HG12 VAL A 87 -2.660 7.423 -1.483 1.00 1.38 H ATOM 1325 HG13 VAL A 87 -4.243 6.860 -0.947 1.00 1.59 H ATOM 1326 HG21 VAL A 87 -5.220 8.548 -2.620 1.00 1.43 H ATOM 1327 HG22 VAL A 87 -3.583 9.074 -3.006 1.00 1.37 H ATOM 1328 HG23 VAL A 87 -4.776 10.248 -2.455 1.00 1.24 H ATOM 1329 N LYS A 88 -4.978 11.379 1.097 1.00 1.26 N ATOM 1330 CA LYS A 88 -5.160 12.816 1.268 1.00 1.35 C ATOM 1331 C LYS A 88 -4.422 13.593 0.178 1.00 1.22 C ATOM 1332 O LYS A 88 -3.192 13.718 0.195 1.00 1.34 O ATOM 1333 CB LYS A 88 -4.692 13.244 2.669 1.00 1.73 C ATOM 1334 CG LYS A 88 -3.330 12.687 3.072 1.00 1.96 C ATOM 1335 CD LYS A 88 -3.067 12.887 4.555 1.00 2.51 C ATOM 1336 CE LYS A 88 -1.844 12.109 5.020 1.00 3.13 C ATOM 1337 NZ LYS A 88 -0.571 12.734 4.568 1.00 3.82 N1+ ATOM 1338 H LYS A 88 -4.445 10.890 1.753 1.00 1.40 H ATOM 1339 HA LYS A 88 -6.218 13.022 1.175 1.00 1.38 H ATOM 1340 HB2 LYS A 88 -4.637 14.322 2.701 1.00 2.13 H ATOM 1341 HB3 LYS A 88 -5.419 12.911 3.398 1.00 2.10 H ATOM 1342 HG2 LYS A 88 -3.298 11.633 2.853 1.00 2.10 H ATOM 1343 HG3 LYS A 88 -2.562 13.195 2.509 1.00 2.23 H ATOM 1344 HD2 LYS A 88 -2.902 13.936 4.740 1.00 2.85 H ATOM 1345 HD3 LYS A 88 -3.929 12.550 5.112 1.00 2.62 H ATOM 1346 HE2 LYS A 88 -1.850 12.073 6.098 1.00 3.36 H ATOM 1347 HE3 LYS A 88 -1.902 11.104 4.628 1.00 3.47 H ATOM 1348 HZ1 LYS A 88 -0.594 12.912 3.544 1.00 4.13 H ATOM 1349 HZ2 LYS A 88 0.230 12.104 4.779 1.00 4.22 H ATOM 1350 HZ3 LYS A 88 -0.421 13.637 5.067 1.00 4.12 H ATOM 1351 N ALA A 89 -5.185 14.072 -0.791 1.00 1.10 N ATOM 1352 CA ALA A 89 -4.636 14.810 -1.917 1.00 1.08 C ATOM 1353 C ALA A 89 -5.389 16.113 -2.141 1.00 1.05 C ATOM 1354 O ALA A 89 -6.617 16.153 -2.043 1.00 1.04 O ATOM 1355 CB ALA A 89 -4.686 13.952 -3.171 1.00 1.13 C ATOM 1356 H ALA A 89 -6.163 13.940 -0.738 1.00 1.12 H ATOM 1357 HA ALA A 89 -3.601 15.031 -1.700 1.00 1.20 H ATOM 1358 HB1 ALA A 89 -4.209 13.004 -2.978 1.00 1.57 H ATOM 1359 HB2 ALA A 89 -4.169 14.458 -3.974 1.00 1.54 H ATOM 1360 HB3 ALA A 89 -5.715 13.787 -3.454 1.00 1.50 H ATOM 1361 N LEU A 90 -4.659 17.179 -2.441 1.00 1.11 N ATOM 1362 CA LEU A 90 -5.289 18.437 -2.814 1.00 1.11 C ATOM 1363 C LEU A 90 -5.848 18.312 -4.223 1.00 1.06 C ATOM 1364 O LEU A 90 -5.097 18.265 -5.198 1.00 1.11 O ATOM 1365 CB LEU A 90 -4.296 19.603 -2.752 1.00 1.24 C ATOM 1366 CG LEU A 90 -4.912 20.987 -2.996 1.00 1.30 C ATOM 1367 CD1 LEU A 90 -5.743 21.424 -1.801 1.00 1.45 C ATOM 1368 CD2 LEU A 90 -3.837 22.015 -3.301 1.00 1.45 C ATOM 1369 H LEU A 90 -3.685 17.119 -2.412 1.00 1.19 H ATOM 1370 HA LEU A 90 -6.103 18.617 -2.128 1.00 1.11 H ATOM 1371 HB2 LEU A 90 -3.828 19.603 -1.775 1.00 1.36 H ATOM 1372 HB3 LEU A 90 -3.531 19.438 -3.501 1.00 1.37 H ATOM 1373 HG LEU A 90 -5.572 20.930 -3.851 1.00 1.35 H ATOM 1374 HD11 LEU A 90 -5.127 21.422 -0.913 1.00 1.83 H ATOM 1375 HD12 LEU A 90 -6.570 20.743 -1.666 1.00 1.79 H ATOM 1376 HD13 LEU A 90 -6.123 22.421 -1.972 1.00 1.84 H ATOM 1377 HD21 LEU A 90 -4.290 22.988 -3.415 1.00 1.81 H ATOM 1378 HD22 LEU A 90 -3.335 21.746 -4.218 1.00 1.87 H ATOM 1379 HD23 LEU A 90 -3.122 22.042 -2.493 1.00 1.72 H ATOM 1380 N THR A 91 -7.161 18.233 -4.322 1.00 1.02 N ATOM 1381 CA THR A 91 -7.819 18.052 -5.601 1.00 0.99 C ATOM 1382 C THR A 91 -8.945 19.063 -5.748 1.00 1.06 C ATOM 1383 O THR A 91 -9.381 19.658 -4.764 1.00 1.14 O ATOM 1384 CB THR A 91 -8.387 16.622 -5.736 1.00 0.99 C ATOM 1385 OG1 THR A 91 -9.311 16.366 -4.677 1.00 1.08 O ATOM 1386 CG2 THR A 91 -7.278 15.580 -5.688 1.00 0.99 C ATOM 1387 H THR A 91 -7.711 18.315 -3.507 1.00 1.04 H ATOM 1388 HA THR A 91 -7.093 18.212 -6.383 1.00 1.00 H ATOM 1389 HB THR A 91 -8.901 16.540 -6.683 1.00 1.02 H ATOM 1390 HG1 THR A 91 -8.845 16.387 -3.836 1.00 1.25 H ATOM 1391 HG21 THR A 91 -7.693 14.605 -5.889 1.00 1.40 H ATOM 1392 HG22 THR A 91 -6.827 15.585 -4.707 1.00 1.44 H ATOM 1393 HG23 THR A 91 -6.529 15.814 -6.427 1.00 1.42 H ATOM 1394 N THR A 92 -9.410 19.269 -6.965 1.00 1.07 N ATOM 1395 CA THR A 92 -10.493 20.198 -7.195 1.00 1.17 C ATOM 1396 C THR A 92 -11.707 19.469 -7.760 1.00 1.18 C ATOM 1397 O THR A 92 -11.632 18.815 -8.803 1.00 1.13 O ATOM 1398 CB THR A 92 -10.068 21.363 -8.121 1.00 1.22 C ATOM 1399 OG1 THR A 92 -11.194 22.197 -8.416 1.00 1.32 O ATOM 1400 CG2 THR A 92 -9.464 20.860 -9.420 1.00 1.16 C ATOM 1401 H THR A 92 -9.027 18.771 -7.724 1.00 1.04 H ATOM 1402 HA THR A 92 -10.766 20.617 -6.236 1.00 1.27 H ATOM 1403 HB THR A 92 -9.324 21.954 -7.604 1.00 1.29 H ATOM 1404 HG1 THR A 92 -11.065 22.610 -9.277 1.00 1.63 H ATOM 1405 HG21 THR A 92 -9.072 21.695 -9.982 1.00 1.57 H ATOM 1406 HG22 THR A 92 -10.228 20.366 -9.999 1.00 1.45 H ATOM 1407 HG23 THR A 92 -8.667 20.165 -9.203 1.00 1.59 H ATOM 1408 N ASP A 93 -12.817 19.550 -7.039 1.00 1.33 N ATOM 1409 CA ASP A 93 -14.059 18.921 -7.475 1.00 1.45 C ATOM 1410 C ASP A 93 -14.732 19.755 -8.558 1.00 1.51 C ATOM 1411 O ASP A 93 -15.688 19.308 -9.194 1.00 1.77 O ATOM 1412 CB ASP A 93 -15.013 18.711 -6.291 1.00 1.64 C ATOM 1413 CG ASP A 93 -15.345 19.994 -5.557 1.00 1.92 C ATOM 1414 OD1 ASP A 93 -16.305 20.686 -5.964 1.00 2.47 O ATOM 1415 OD2 ASP A 93 -14.654 20.310 -4.565 1.00 2.40 O1+ ATOM 1416 H ASP A 93 -12.802 20.043 -6.188 1.00 1.42 H ATOM 1417 HA ASP A 93 -13.804 17.959 -7.893 1.00 1.48 H ATOM 1418 HB2 ASP A 93 -15.938 18.285 -6.655 1.00 1.94 H ATOM 1419 HB3 ASP A 93 -14.560 18.024 -5.592 1.00 2.00 H ATOM 1420 N GLU A 94 -14.217 20.961 -8.771 1.00 1.50 N ATOM 1421 CA GLU A 94 -14.724 21.842 -9.811 1.00 1.60 C ATOM 1422 C GLU A 94 -13.697 22.932 -10.115 1.00 1.56 C ATOM 1423 O GLU A 94 -12.953 22.840 -11.091 1.00 1.66 O ATOM 1424 CB GLU A 94 -16.059 22.462 -9.393 1.00 1.80 C ATOM 1425 CG GLU A 94 -16.738 23.252 -10.493 1.00 2.27 C ATOM 1426 CD GLU A 94 -17.075 22.395 -11.692 1.00 2.55 C ATOM 1427 OE1 GLU A 94 -18.094 21.677 -11.643 1.00 3.09 O ATOM 1428 OE2 GLU A 94 -16.329 22.442 -12.689 1.00 2.88 O1+ ATOM 1429 H GLU A 94 -13.465 21.262 -8.218 1.00 1.60 H ATOM 1430 HA GLU A 94 -14.874 21.249 -10.701 1.00 1.67 H ATOM 1431 HB2 GLU A 94 -16.727 21.671 -9.084 1.00 2.08 H ATOM 1432 HB3 GLU A 94 -15.893 23.123 -8.559 1.00 1.97 H ATOM 1433 HG2 GLU A 94 -17.650 23.676 -10.105 1.00 2.65 H ATOM 1434 HG3 GLU A 94 -16.078 24.044 -10.807 1.00 2.75 H ATOM 1435 N LYS A 95 -13.637 23.946 -9.262 1.00 1.56 N ATOM 1436 CA LYS A 95 -12.670 25.026 -9.424 1.00 1.61 C ATOM 1437 C LYS A 95 -12.159 25.487 -8.065 1.00 1.63 C ATOM 1438 O LYS A 95 -11.742 26.634 -7.898 1.00 2.06 O ATOM 1439 CB LYS A 95 -13.294 26.201 -10.191 1.00 1.79 C ATOM 1440 CG LYS A 95 -14.563 26.744 -9.559 1.00 2.06 C ATOM 1441 CD LYS A 95 -15.122 27.907 -10.357 1.00 2.22 C ATOM 1442 CE LYS A 95 -16.381 28.469 -9.722 1.00 2.75 C ATOM 1443 NZ LYS A 95 -16.942 29.600 -10.510 1.00 3.29 N1+ ATOM 1444 H LYS A 95 -14.264 23.977 -8.507 1.00 1.62 H ATOM 1445 HA LYS A 95 -11.839 24.636 -9.992 1.00 1.62 H ATOM 1446 HB2 LYS A 95 -12.574 27.005 -10.240 1.00 1.97 H ATOM 1447 HB3 LYS A 95 -13.527 25.877 -11.194 1.00 2.04 H ATOM 1448 HG2 LYS A 95 -15.300 25.957 -9.520 1.00 2.35 H ATOM 1449 HG3 LYS A 95 -14.339 27.082 -8.558 1.00 2.28 H ATOM 1450 HD2 LYS A 95 -14.379 28.685 -10.400 1.00 2.26 H ATOM 1451 HD3 LYS A 95 -15.354 27.568 -11.356 1.00 2.30 H ATOM 1452 HE2 LYS A 95 -17.118 27.686 -9.657 1.00 3.06 H ATOM 1453 HE3 LYS A 95 -16.140 28.819 -8.728 1.00 3.08 H ATOM 1454 HZ1 LYS A 95 -16.278 30.401 -10.511 1.00 3.59 H ATOM 1455 HZ2 LYS A 95 -17.843 29.912 -10.098 1.00 3.75 H ATOM 1456 HZ3 LYS A 95 -17.111 29.303 -11.491 1.00 3.52 H ATOM 1457 N GLN A 96 -12.189 24.577 -7.100 1.00 1.54 N ATOM 1458 CA GLN A 96 -11.758 24.867 -5.739 1.00 1.58 C ATOM 1459 C GLN A 96 -10.841 23.758 -5.243 1.00 1.44 C ATOM 1460 O GLN A 96 -11.254 22.600 -5.145 1.00 1.45 O ATOM 1461 CB GLN A 96 -12.972 24.992 -4.810 1.00 1.76 C ATOM 1462 CG GLN A 96 -13.892 26.159 -5.142 1.00 2.14 C ATOM 1463 CD GLN A 96 -13.291 27.508 -4.792 1.00 2.36 C ATOM 1464 OE1 GLN A 96 -13.473 28.013 -3.685 1.00 2.74 O ATOM 1465 NE2 GLN A 96 -12.576 28.106 -5.733 1.00 2.71 N ATOM 1466 H GLN A 96 -12.489 23.669 -7.313 1.00 1.71 H ATOM 1467 HA GLN A 96 -11.213 25.799 -5.749 1.00 1.66 H ATOM 1468 HB2 GLN A 96 -13.548 24.082 -4.870 1.00 1.79 H ATOM 1469 HB3 GLN A 96 -12.623 25.115 -3.796 1.00 2.10 H ATOM 1470 HG2 GLN A 96 -14.102 26.143 -6.201 1.00 2.50 H ATOM 1471 HG3 GLN A 96 -14.813 26.039 -4.591 1.00 2.55 H ATOM 1472 HE21 GLN A 96 -12.469 27.650 -6.597 1.00 2.95 H ATOM 1473 HE22 GLN A 96 -12.180 28.977 -5.528 1.00 3.02 H ATOM 1474 N ALA A 97 -9.601 24.110 -4.946 1.00 1.40 N ATOM 1475 CA ALA A 97 -8.624 23.135 -4.481 1.00 1.31 C ATOM 1476 C ALA A 97 -8.852 22.796 -3.015 1.00 1.32 C ATOM 1477 O ALA A 97 -8.681 23.645 -2.133 1.00 1.44 O ATOM 1478 CB ALA A 97 -7.211 23.653 -4.690 1.00 1.36 C ATOM 1479 H ALA A 97 -9.335 25.049 -5.036 1.00 1.49 H ATOM 1480 HA ALA A 97 -8.745 22.237 -5.071 1.00 1.25 H ATOM 1481 HB1 ALA A 97 -7.066 24.551 -4.109 1.00 1.80 H ATOM 1482 HB2 ALA A 97 -7.060 23.871 -5.737 1.00 1.65 H ATOM 1483 HB3 ALA A 97 -6.503 22.901 -4.374 1.00 1.68 H ATOM 1484 N ALA A 98 -9.241 21.558 -2.757 1.00 1.23 N ATOM 1485 CA ALA A 98 -9.508 21.106 -1.406 1.00 1.27 C ATOM 1486 C ALA A 98 -8.790 19.791 -1.136 1.00 1.15 C ATOM 1487 O ALA A 98 -8.618 18.967 -2.039 1.00 1.08 O ATOM 1488 CB ALA A 98 -11.006 20.951 -1.190 1.00 1.38 C ATOM 1489 H ALA A 98 -9.345 20.923 -3.502 1.00 1.16 H ATOM 1490 HA ALA A 98 -9.140 21.856 -0.724 1.00 1.38 H ATOM 1491 HB1 ALA A 98 -11.390 20.203 -1.869 1.00 1.70 H ATOM 1492 HB2 ALA A 98 -11.497 21.893 -1.378 1.00 1.79 H ATOM 1493 HB3 ALA A 98 -11.193 20.643 -0.172 1.00 1.76 H ATOM 1494 N TRP A 99 -8.360 19.604 0.100 1.00 1.19 N ATOM 1495 CA TRP A 99 -7.684 18.376 0.491 1.00 1.15 C ATOM 1496 C TRP A 99 -8.701 17.257 0.659 1.00 1.14 C ATOM 1497 O TRP A 99 -9.412 17.190 1.660 1.00 1.29 O ATOM 1498 CB TRP A 99 -6.888 18.581 1.788 1.00 1.29 C ATOM 1499 CG TRP A 99 -5.824 19.631 1.665 1.00 1.34 C ATOM 1500 CD1 TRP A 99 -5.935 20.956 1.980 1.00 1.59 C ATOM 1501 CD2 TRP A 99 -4.487 19.446 1.182 1.00 1.48 C ATOM 1502 NE1 TRP A 99 -4.751 21.604 1.723 1.00 1.59 N ATOM 1503 CE2 TRP A 99 -3.846 20.699 1.233 1.00 1.50 C ATOM 1504 CE3 TRP A 99 -3.769 18.342 0.711 1.00 1.93 C ATOM 1505 CZ2 TRP A 99 -2.524 20.878 0.831 1.00 1.75 C ATOM 1506 CZ3 TRP A 99 -2.456 18.522 0.313 1.00 2.35 C ATOM 1507 CH2 TRP A 99 -1.847 19.779 0.375 1.00 2.19 C ATOM 1508 H TRP A 99 -8.510 20.305 0.772 1.00 1.31 H ATOM 1509 HA TRP A 99 -7.001 18.107 -0.303 1.00 1.12 H ATOM 1510 HB2 TRP A 99 -7.564 18.876 2.576 1.00 1.40 H ATOM 1511 HB3 TRP A 99 -6.412 17.650 2.062 1.00 1.32 H ATOM 1512 HD1 TRP A 99 -6.829 21.414 2.373 1.00 1.95 H ATOM 1513 HE1 TRP A 99 -4.581 22.562 1.868 1.00 1.83 H ATOM 1514 HE3 TRP A 99 -4.224 17.364 0.657 1.00 2.10 H ATOM 1515 HZ2 TRP A 99 -2.040 21.841 0.871 1.00 1.77 H ATOM 1516 HZ3 TRP A 99 -1.886 17.683 -0.057 1.00 2.88 H ATOM 1517 HH2 TRP A 99 -0.821 19.874 0.052 1.00 2.54 H ATOM 1518 N ARG A 100 -8.773 16.398 -0.341 1.00 1.07 N ATOM 1519 CA ARG A 100 -9.732 15.308 -0.356 1.00 1.17 C ATOM 1520 C ARG A 100 -9.029 13.991 -0.066 1.00 1.07 C ATOM 1521 O ARG A 100 -7.808 13.947 0.086 1.00 1.11 O ATOM 1522 CB ARG A 100 -10.412 15.214 -1.729 1.00 1.34 C ATOM 1523 CG ARG A 100 -11.104 16.488 -2.190 1.00 1.50 C ATOM 1524 CD ARG A 100 -12.322 16.824 -1.347 1.00 1.81 C ATOM 1525 NE ARG A 100 -13.095 17.920 -1.935 1.00 2.30 N ATOM 1526 CZ ARG A 100 -14.076 18.566 -1.305 1.00 2.80 C ATOM 1527 NH1 ARG A 100 -14.374 18.266 -0.047 1.00 2.96 N1+ ATOM 1528 NH2 ARG A 100 -14.755 19.517 -1.937 1.00 3.48 N ATOM 1529 H ARG A 100 -8.143 16.486 -1.091 1.00 1.05 H ATOM 1530 HA ARG A 100 -10.473 15.493 0.407 1.00 1.35 H ATOM 1531 HB2 ARG A 100 -9.663 14.959 -2.465 1.00 1.33 H ATOM 1532 HB3 ARG A 100 -11.149 14.424 -1.698 1.00 1.51 H ATOM 1533 HG2 ARG A 100 -10.405 17.306 -2.132 1.00 1.43 H ATOM 1534 HG3 ARG A 100 -11.415 16.359 -3.216 1.00 1.74 H ATOM 1535 HD2 ARG A 100 -12.952 15.950 -1.276 1.00 2.09 H ATOM 1536 HD3 ARG A 100 -11.995 17.115 -0.360 1.00 1.99 H ATOM 1537 HE ARG A 100 -12.879 18.174 -2.858 1.00 2.55 H ATOM 1538 HH11 ARG A 100 -13.863 17.552 0.437 1.00 2.78 H ATOM 1539 HH12 ARG A 100 -15.107 18.760 0.431 1.00 3.49 H ATOM 1540 HH21 ARG A 100 -14.535 19.756 -2.895 1.00 3.70 H ATOM 1541 HH22 ARG A 100 -15.497 20.003 -1.466 1.00 3.92 H ATOM 1542 N PHE A 101 -9.807 12.927 -0.003 1.00 1.05 N ATOM 1543 CA PHE A 101 -9.264 11.590 0.149 1.00 1.01 C ATOM 1544 C PHE A 101 -9.679 10.756 -1.053 1.00 0.94 C ATOM 1545 O PHE A 101 -10.839 10.373 -1.173 1.00 0.99 O ATOM 1546 CB PHE A 101 -9.754 10.936 1.449 1.00 1.13 C ATOM 1547 CG PHE A 101 -9.141 11.514 2.696 1.00 1.23 C ATOM 1548 CD1 PHE A 101 -9.661 12.659 3.287 1.00 1.70 C ATOM 1549 CD2 PHE A 101 -8.046 10.902 3.284 1.00 1.81 C ATOM 1550 CE1 PHE A 101 -9.094 13.177 4.436 1.00 1.81 C ATOM 1551 CE2 PHE A 101 -7.477 11.417 4.432 1.00 1.98 C ATOM 1552 CZ PHE A 101 -8.002 12.556 5.009 1.00 1.60 C ATOM 1553 H PHE A 101 -10.782 13.041 -0.087 1.00 1.14 H ATOM 1554 HA PHE A 101 -8.184 11.668 0.168 1.00 0.99 H ATOM 1555 HB2 PHE A 101 -10.824 11.049 1.523 1.00 1.18 H ATOM 1556 HB3 PHE A 101 -9.514 9.884 1.425 1.00 1.18 H ATOM 1557 HD1 PHE A 101 -10.513 13.150 2.841 1.00 2.38 H ATOM 1558 HD2 PHE A 101 -7.633 10.010 2.834 1.00 2.48 H ATOM 1559 HE1 PHE A 101 -9.508 14.066 4.887 1.00 2.48 H ATOM 1560 HE2 PHE A 101 -6.623 10.930 4.877 1.00 2.74 H ATOM 1561 HZ PHE A 101 -7.561 12.959 5.907 1.00 1.77 H ATOM 1562 N ILE A 102 -8.734 10.463 -1.933 1.00 0.86 N ATOM 1563 CA ILE A 102 -9.066 9.834 -3.205 1.00 0.78 C ATOM 1564 C ILE A 102 -8.545 8.411 -3.267 1.00 0.76 C ATOM 1565 O ILE A 102 -7.471 8.108 -2.754 1.00 0.79 O ATOM 1566 CB ILE A 102 -8.510 10.632 -4.406 1.00 0.74 C ATOM 1567 CG1 ILE A 102 -6.998 10.844 -4.270 1.00 0.75 C ATOM 1568 CG2 ILE A 102 -9.227 11.967 -4.527 1.00 0.80 C ATOM 1569 CD1 ILE A 102 -6.357 11.485 -5.483 1.00 0.75 C ATOM 1570 H ILE A 102 -7.795 10.671 -1.722 1.00 0.85 H ATOM 1571 HA ILE A 102 -10.144 9.810 -3.287 1.00 0.81 H ATOM 1572 HB ILE A 102 -8.706 10.067 -5.304 1.00 0.70 H ATOM 1573 HG12 ILE A 102 -6.807 11.483 -3.424 1.00 0.81 H ATOM 1574 HG13 ILE A 102 -6.520 9.888 -4.110 1.00 0.73 H ATOM 1575 HG21 ILE A 102 -9.083 12.537 -3.621 1.00 1.26 H ATOM 1576 HG22 ILE A 102 -10.282 11.798 -4.684 1.00 1.33 H ATOM 1577 HG23 ILE A 102 -8.823 12.516 -5.365 1.00 1.31 H ATOM 1578 HD11 ILE A 102 -6.528 10.864 -6.351 1.00 1.24 H ATOM 1579 HD12 ILE A 102 -5.294 11.586 -5.318 1.00 1.30 H ATOM 1580 HD13 ILE A 102 -6.791 12.460 -5.648 1.00 1.26 H ATOM 1581 N ARG A 103 -9.321 7.542 -3.895 1.00 0.74 N ATOM 1582 CA ARG A 103 -9.010 6.123 -3.922 1.00 0.75 C ATOM 1583 C ARG A 103 -7.998 5.800 -5.017 1.00 0.68 C ATOM 1584 O ARG A 103 -8.191 6.143 -6.184 1.00 0.73 O ATOM 1585 CB ARG A 103 -10.292 5.294 -4.093 1.00 0.85 C ATOM 1586 CG ARG A 103 -11.014 5.518 -5.412 1.00 0.85 C ATOM 1587 CD ARG A 103 -12.438 4.984 -5.362 1.00 1.23 C ATOM 1588 NE ARG A 103 -13.289 5.789 -4.485 1.00 1.99 N ATOM 1589 CZ ARG A 103 -14.480 5.395 -4.029 1.00 2.70 C ATOM 1590 NH1 ARG A 103 -14.952 4.193 -4.340 1.00 2.75 N1+ ATOM 1591 NH2 ARG A 103 -15.203 6.210 -3.272 1.00 3.71 N ATOM 1592 H ARG A 103 -10.124 7.869 -4.358 1.00 0.75 H ATOM 1593 HA ARG A 103 -8.563 5.876 -2.966 1.00 0.80 H ATOM 1594 HB2 ARG A 103 -10.039 4.246 -4.028 1.00 0.90 H ATOM 1595 HB3 ARG A 103 -10.974 5.540 -3.292 1.00 0.94 H ATOM 1596 HG2 ARG A 103 -11.044 6.575 -5.622 1.00 1.01 H ATOM 1597 HG3 ARG A 103 -10.475 5.009 -6.197 1.00 1.00 H ATOM 1598 HD2 ARG A 103 -12.852 4.997 -6.360 1.00 1.68 H ATOM 1599 HD3 ARG A 103 -12.417 3.968 -4.995 1.00 1.63 H ATOM 1600 HE ARG A 103 -12.958 6.681 -4.233 1.00 2.37 H ATOM 1601 HH11 ARG A 103 -14.414 3.572 -4.919 1.00 2.46 H ATOM 1602 HH12 ARG A 103 -15.849 3.899 -4.001 1.00 3.38 H ATOM 1603 HH21 ARG A 103 -14.857 7.127 -3.041 1.00 4.07 H ATOM 1604 HH22 ARG A 103 -16.098 5.915 -2.922 1.00 4.27 H ATOM 1605 N ILE A 104 -6.905 5.165 -4.620 1.00 0.65 N ATOM 1606 CA ILE A 104 -5.872 4.749 -5.555 1.00 0.62 C ATOM 1607 C ILE A 104 -5.566 3.264 -5.393 1.00 0.65 C ATOM 1608 O ILE A 104 -5.797 2.682 -4.322 1.00 0.74 O ATOM 1609 CB ILE A 104 -4.559 5.544 -5.362 1.00 0.64 C ATOM 1610 CG1 ILE A 104 -4.016 5.340 -3.946 1.00 0.70 C ATOM 1611 CG2 ILE A 104 -4.779 7.023 -5.643 1.00 0.65 C ATOM 1612 CD1 ILE A 104 -2.624 5.896 -3.745 1.00 0.83 C ATOM 1613 H ILE A 104 -6.786 4.977 -3.660 1.00 0.70 H ATOM 1614 HA ILE A 104 -6.239 4.928 -6.555 1.00 0.61 H ATOM 1615 HB ILE A 104 -3.835 5.174 -6.072 1.00 0.66 H ATOM 1616 HG12 ILE A 104 -4.670 5.831 -3.242 1.00 0.75 H ATOM 1617 HG13 ILE A 104 -3.986 4.284 -3.727 1.00 0.76 H ATOM 1618 HG21 ILE A 104 -5.108 7.151 -6.663 1.00 1.17 H ATOM 1619 HG22 ILE A 104 -3.854 7.558 -5.493 1.00 1.25 H ATOM 1620 HG23 ILE A 104 -5.532 7.409 -4.970 1.00 1.22 H ATOM 1621 HD11 ILE A 104 -1.936 5.398 -4.414 1.00 1.35 H ATOM 1622 HD12 ILE A 104 -2.316 5.733 -2.723 1.00 1.36 H ATOM 1623 HD13 ILE A 104 -2.628 6.954 -3.955 1.00 1.31 H ATOM 1624 N ASP A 105 -5.063 2.659 -6.468 1.00 0.68 N ATOM 1625 CA ASP A 105 -4.622 1.267 -6.444 1.00 0.74 C ATOM 1626 C ASP A 105 -3.399 1.144 -5.551 1.00 0.73 C ATOM 1627 O ASP A 105 -2.301 1.544 -5.928 1.00 0.82 O ATOM 1628 CB ASP A 105 -4.284 0.772 -7.860 1.00 0.91 C ATOM 1629 CG ASP A 105 -5.471 0.813 -8.802 1.00 1.11 C ATOM 1630 OD1 ASP A 105 -6.216 -0.184 -8.882 1.00 1.69 O ATOM 1631 OD2 ASP A 105 -5.669 1.849 -9.471 1.00 1.68 O1+ ATOM 1632 H ASP A 105 -4.981 3.168 -7.303 1.00 0.72 H ATOM 1633 HA ASP A 105 -5.422 0.666 -6.033 1.00 0.83 H ATOM 1634 HB2 ASP A 105 -3.502 1.396 -8.273 1.00 1.16 H ATOM 1635 HB3 ASP A 105 -3.929 -0.251 -7.800 1.00 1.16 H ATOM 1636 N THR A 106 -3.595 0.596 -4.371 1.00 0.83 N ATOM 1637 CA THR A 106 -2.563 0.592 -3.352 1.00 0.99 C ATOM 1638 C THR A 106 -1.700 -0.656 -3.440 1.00 0.91 C ATOM 1639 O THR A 106 -0.471 -0.578 -3.433 1.00 1.02 O ATOM 1640 CB THR A 106 -3.207 0.663 -1.964 1.00 1.37 C ATOM 1641 OG1 THR A 106 -4.399 1.449 -2.053 1.00 2.29 O ATOM 1642 CG2 THR A 106 -2.264 1.288 -0.950 1.00 1.35 C ATOM 1643 H THR A 106 -4.465 0.180 -4.172 1.00 0.92 H ATOM 1644 HA THR A 106 -1.944 1.465 -3.490 1.00 1.10 H ATOM 1645 HB THR A 106 -3.460 -0.337 -1.640 1.00 2.01 H ATOM 1646 HG1 THR A 106 -4.420 1.893 -2.910 1.00 2.66 H ATOM 1647 HG21 THR A 106 -2.735 1.296 0.022 1.00 1.77 H ATOM 1648 HG22 THR A 106 -2.035 2.300 -1.247 1.00 1.88 H ATOM 1649 HG23 THR A 106 -1.351 0.710 -0.905 1.00 1.82 H ATOM 1650 N ALA A 107 -2.348 -1.806 -3.530 1.00 0.89 N ATOM 1651 CA ALA A 107 -1.646 -3.073 -3.579 1.00 0.95 C ATOM 1652 C ALA A 107 -2.419 -4.073 -4.417 1.00 0.90 C ATOM 1653 O ALA A 107 -3.648 -4.044 -4.454 1.00 0.97 O ATOM 1654 CB ALA A 107 -1.434 -3.613 -2.174 1.00 1.14 C ATOM 1655 H ALA A 107 -3.325 -1.804 -3.575 1.00 0.94 H ATOM 1656 HA ALA A 107 -0.679 -2.905 -4.028 1.00 1.06 H ATOM 1657 HB1 ALA A 107 -0.881 -4.539 -2.224 1.00 1.47 H ATOM 1658 HB2 ALA A 107 -2.393 -3.791 -1.711 1.00 1.64 H ATOM 1659 HB3 ALA A 107 -0.880 -2.894 -1.590 1.00 1.60 H ATOM 1660 N CYS A 108 -1.696 -4.950 -5.087 1.00 0.94 N ATOM 1661 CA CYS A 108 -2.307 -5.991 -5.890 1.00 0.98 C ATOM 1662 C CYS A 108 -2.249 -7.306 -5.129 1.00 0.94 C ATOM 1663 O CYS A 108 -1.176 -7.877 -4.935 1.00 1.05 O ATOM 1664 CB CYS A 108 -1.596 -6.112 -7.238 1.00 1.20 C ATOM 1665 SG CYS A 108 -2.237 -7.440 -8.301 1.00 1.56 S ATOM 1666 H CYS A 108 -0.720 -4.910 -5.025 1.00 1.02 H ATOM 1667 HA CYS A 108 -3.343 -5.727 -6.051 1.00 1.00 H ATOM 1668 HB2 CYS A 108 -1.704 -5.180 -7.781 1.00 1.36 H ATOM 1669 HB3 CYS A 108 -0.545 -6.305 -7.068 1.00 1.59 H ATOM 1670 N VAL A 109 -3.403 -7.769 -4.676 1.00 0.88 N ATOM 1671 CA VAL A 109 -3.456 -8.929 -3.805 1.00 0.89 C ATOM 1672 C VAL A 109 -4.144 -10.108 -4.484 1.00 0.90 C ATOM 1673 O VAL A 109 -5.088 -9.933 -5.257 1.00 1.00 O ATOM 1674 CB VAL A 109 -4.193 -8.602 -2.484 1.00 0.99 C ATOM 1675 CG1 VAL A 109 -3.479 -7.488 -1.736 1.00 1.04 C ATOM 1676 CG2 VAL A 109 -5.646 -8.218 -2.741 1.00 1.07 C ATOM 1677 H VAL A 109 -4.242 -7.325 -4.939 1.00 0.91 H ATOM 1678 HA VAL A 109 -2.441 -9.207 -3.565 1.00 0.94 H ATOM 1679 HB VAL A 109 -4.181 -9.485 -1.861 1.00 1.07 H ATOM 1680 HG11 VAL A 109 -4.017 -7.263 -0.828 1.00 1.44 H ATOM 1681 HG12 VAL A 109 -3.438 -6.605 -2.361 1.00 1.46 H ATOM 1682 HG13 VAL A 109 -2.475 -7.802 -1.493 1.00 1.50 H ATOM 1683 HG21 VAL A 109 -6.134 -8.010 -1.801 1.00 1.49 H ATOM 1684 HG22 VAL A 109 -6.151 -9.033 -3.239 1.00 1.50 H ATOM 1685 HG23 VAL A 109 -5.679 -7.338 -3.367 1.00 1.52 H ATOM 1686 N CYS A 110 -3.651 -11.302 -4.206 1.00 0.90 N ATOM 1687 CA CYS A 110 -4.307 -12.518 -4.657 1.00 0.95 C ATOM 1688 C CYS A 110 -5.465 -12.840 -3.734 1.00 0.96 C ATOM 1689 O CYS A 110 -5.260 -13.293 -2.607 1.00 0.96 O ATOM 1690 CB CYS A 110 -3.329 -13.693 -4.683 1.00 0.99 C ATOM 1691 SG CYS A 110 -2.074 -13.583 -5.990 1.00 1.45 S ATOM 1692 H CYS A 110 -2.826 -11.369 -3.687 1.00 0.92 H ATOM 1693 HA CYS A 110 -4.687 -12.346 -5.653 1.00 1.04 H ATOM 1694 HB2 CYS A 110 -2.815 -13.749 -3.737 1.00 1.18 H ATOM 1695 HB3 CYS A 110 -3.883 -14.607 -4.836 1.00 1.28 H ATOM 1696 N VAL A 111 -6.676 -12.583 -4.196 1.00 1.08 N ATOM 1697 CA VAL A 111 -7.845 -12.868 -3.386 1.00 1.19 C ATOM 1698 C VAL A 111 -8.311 -14.291 -3.649 1.00 1.23 C ATOM 1699 O VAL A 111 -8.164 -14.805 -4.762 1.00 1.28 O ATOM 1700 CB VAL A 111 -8.997 -11.873 -3.651 1.00 1.39 C ATOM 1701 CG1 VAL A 111 -8.560 -10.450 -3.352 1.00 1.40 C ATOM 1702 CG2 VAL A 111 -9.493 -11.982 -5.078 1.00 1.52 C ATOM 1703 H VAL A 111 -6.786 -12.212 -5.104 1.00 1.16 H ATOM 1704 HA VAL A 111 -7.555 -12.784 -2.347 1.00 1.18 H ATOM 1705 HB VAL A 111 -9.815 -12.118 -2.992 1.00 1.49 H ATOM 1706 HG11 VAL A 111 -9.376 -9.773 -3.560 1.00 1.79 H ATOM 1707 HG12 VAL A 111 -7.714 -10.195 -3.972 1.00 1.75 H ATOM 1708 HG13 VAL A 111 -8.282 -10.368 -2.311 1.00 1.69 H ATOM 1709 HG21 VAL A 111 -9.809 -12.997 -5.272 1.00 1.83 H ATOM 1710 HG22 VAL A 111 -8.698 -11.713 -5.757 1.00 2.00 H ATOM 1711 HG23 VAL A 111 -10.328 -11.312 -5.218 1.00 1.75 H ATOM 1712 N LEU A 112 -8.856 -14.927 -2.628 1.00 1.27 N ATOM 1713 CA LEU A 112 -9.242 -16.321 -2.733 1.00 1.35 C ATOM 1714 C LEU A 112 -10.744 -16.455 -2.928 1.00 1.56 C ATOM 1715 O LEU A 112 -11.538 -15.746 -2.308 1.00 1.67 O ATOM 1716 CB LEU A 112 -8.804 -17.094 -1.485 1.00 1.35 C ATOM 1717 CG LEU A 112 -7.296 -17.089 -1.199 1.00 1.24 C ATOM 1718 CD1 LEU A 112 -6.995 -17.865 0.073 1.00 1.41 C ATOM 1719 CD2 LEU A 112 -6.517 -17.672 -2.371 1.00 1.22 C ATOM 1720 H LEU A 112 -9.007 -14.447 -1.781 1.00 1.31 H ATOM 1721 HA LEU A 112 -8.743 -16.735 -3.599 1.00 1.33 H ATOM 1722 HB2 LEU A 112 -9.313 -16.671 -0.630 1.00 1.45 H ATOM 1723 HB3 LEU A 112 -9.124 -18.122 -1.597 1.00 1.44 H ATOM 1724 HG LEU A 112 -6.966 -16.070 -1.053 1.00 1.18 H ATOM 1725 HD11 LEU A 112 -5.929 -17.870 0.247 1.00 1.86 H ATOM 1726 HD12 LEU A 112 -7.345 -18.883 -0.033 1.00 1.73 H ATOM 1727 HD13 LEU A 112 -7.494 -17.398 0.908 1.00 1.73 H ATOM 1728 HD21 LEU A 112 -6.690 -17.076 -3.254 1.00 1.60 H ATOM 1729 HD22 LEU A 112 -6.843 -18.685 -2.551 1.00 1.62 H ATOM 1730 HD23 LEU A 112 -5.463 -17.671 -2.137 1.00 1.56 H ATOM 1731 N SER A 113 -11.119 -17.369 -3.803 1.00 1.69 N ATOM 1732 CA SER A 113 -12.510 -17.658 -4.077 1.00 1.94 C ATOM 1733 C SER A 113 -12.756 -19.158 -3.953 1.00 2.01 C ATOM 1734 O SER A 113 -11.845 -19.965 -4.148 1.00 2.20 O ATOM 1735 CB SER A 113 -12.882 -17.147 -5.477 1.00 2.20 C ATOM 1736 OG SER A 113 -14.145 -17.639 -5.894 1.00 2.62 O ATOM 1737 H SER A 113 -10.424 -17.863 -4.298 1.00 1.65 H ATOM 1738 HA SER A 113 -13.109 -17.142 -3.340 1.00 2.13 H ATOM 1739 HB2 SER A 113 -12.922 -16.068 -5.462 1.00 2.54 H ATOM 1740 HB3 SER A 113 -12.133 -17.462 -6.184 1.00 2.50 H ATOM 1741 HG SER A 113 -14.382 -17.236 -6.739 1.00 3.01 H ATOM 1742 N ARG A 114 -13.993 -19.523 -3.635 1.00 2.21 N ATOM 1743 CA ARG A 114 -14.357 -20.915 -3.379 1.00 2.43 C ATOM 1744 C ARG A 114 -14.505 -21.710 -4.673 1.00 2.31 C ATOM 1745 O ARG A 114 -14.977 -22.849 -4.652 1.00 2.57 O ATOM 1746 CB ARG A 114 -15.654 -20.993 -2.565 1.00 3.05 C ATOM 1747 CG ARG A 114 -15.469 -20.692 -1.084 1.00 3.63 C ATOM 1748 CD ARG A 114 -14.594 -21.740 -0.417 1.00 4.27 C ATOM 1749 NE ARG A 114 -14.475 -21.538 1.025 1.00 5.02 N ATOM 1750 CZ ARG A 114 -13.940 -22.433 1.855 1.00 5.89 C ATOM 1751 NH1 ARG A 114 -13.447 -23.570 1.382 1.00 6.19 N1+ ATOM 1752 NH2 ARG A 114 -13.889 -22.187 3.157 1.00 6.73 N ATOM 1753 H ARG A 114 -14.688 -18.833 -3.590 1.00 2.44 H ATOM 1754 HA ARG A 114 -13.559 -21.355 -2.801 1.00 2.68 H ATOM 1755 HB2 ARG A 114 -16.363 -20.284 -2.969 1.00 3.49 H ATOM 1756 HB3 ARG A 114 -16.062 -21.988 -2.660 1.00 3.13 H ATOM 1757 HG2 ARG A 114 -15.003 -19.724 -0.976 1.00 3.94 H ATOM 1758 HG3 ARG A 114 -16.437 -20.683 -0.602 1.00 3.82 H ATOM 1759 HD2 ARG A 114 -15.023 -22.715 -0.599 1.00 4.45 H ATOM 1760 HD3 ARG A 114 -13.609 -21.698 -0.858 1.00 4.52 H ATOM 1761 HE ARG A 114 -14.824 -20.695 1.395 1.00 5.12 H ATOM 1762 HH11 ARG A 114 -13.473 -23.762 0.397 1.00 5.80 H ATOM 1763 HH12 ARG A 114 -13.060 -24.250 2.010 1.00 7.00 H ATOM 1764 HH21 ARG A 114 -14.254 -21.324 3.524 1.00 6.79 H ATOM 1765 HH22 ARG A 114 -13.484 -22.858 3.783 1.00 7.46 H ATOM 1766 N LYS A 115 -14.112 -21.096 -5.788 1.00 2.46 N ATOM 1767 CA LYS A 115 -14.183 -21.728 -7.107 1.00 3.00 C ATOM 1768 C LYS A 115 -15.637 -21.906 -7.525 1.00 3.36 C ATOM 1769 O LYS A 115 -16.013 -22.923 -8.106 1.00 3.89 O ATOM 1770 CB LYS A 115 -13.451 -23.086 -7.122 1.00 3.34 C ATOM 1771 CG LYS A 115 -11.979 -23.007 -6.742 1.00 3.42 C ATOM 1772 CD LYS A 115 -11.320 -24.377 -6.770 1.00 3.91 C ATOM 1773 CE LYS A 115 -11.260 -24.957 -8.176 1.00 4.19 C ATOM 1774 NZ LYS A 115 -10.376 -24.166 -9.076 1.00 4.59 N1+ ATOM 1775 H LYS A 115 -13.764 -20.181 -5.722 1.00 2.52 H ATOM 1776 HA LYS A 115 -13.706 -21.060 -7.813 1.00 3.21 H ATOM 1777 HB2 LYS A 115 -13.938 -23.749 -6.424 1.00 3.54 H ATOM 1778 HB3 LYS A 115 -13.523 -23.512 -8.112 1.00 3.68 H ATOM 1779 HG2 LYS A 115 -11.467 -22.357 -7.438 1.00 3.54 H ATOM 1780 HG3 LYS A 115 -11.900 -22.604 -5.744 1.00 3.36 H ATOM 1781 HD2 LYS A 115 -10.315 -24.291 -6.386 1.00 4.28 H ATOM 1782 HD3 LYS A 115 -11.887 -25.047 -6.141 1.00 4.12 H ATOM 1783 HE2 LYS A 115 -10.884 -25.968 -8.118 1.00 4.32 H ATOM 1784 HE3 LYS A 115 -12.258 -24.970 -8.583 1.00 4.46 H ATOM 1785 HZ1 LYS A 115 -10.366 -24.587 -10.027 1.00 4.74 H ATOM 1786 HZ2 LYS A 115 -9.401 -24.158 -8.705 1.00 4.91 H ATOM 1787 HZ3 LYS A 115 -10.717 -23.186 -9.146 1.00 4.81 H ATOM 1788 N ALA A 116 -16.448 -20.906 -7.214 1.00 3.51 N ATOM 1789 CA ALA A 116 -17.861 -20.924 -7.553 1.00 4.09 C ATOM 1790 C ALA A 116 -18.294 -19.560 -8.065 1.00 4.18 C ATOM 1791 O ALA A 116 -17.538 -18.592 -7.979 1.00 4.50 O ATOM 1792 CB ALA A 116 -18.690 -21.316 -6.339 1.00 4.43 C ATOM 1793 H ALA A 116 -16.085 -20.124 -6.749 1.00 3.53 H ATOM 1794 HA ALA A 116 -18.017 -21.661 -8.326 1.00 4.59 H ATOM 1795 HB1 ALA A 116 -19.732 -21.376 -6.619 1.00 4.58 H ATOM 1796 HB2 ALA A 116 -18.567 -20.573 -5.564 1.00 4.73 H ATOM 1797 HB3 ALA A 116 -18.361 -22.276 -5.973 1.00 4.69 H ATOM 1798 N THR A 117 -19.499 -19.487 -8.601 1.00 4.33 N ATOM 1799 CA THR A 117 -20.045 -18.235 -9.098 1.00 4.73 C ATOM 1800 C THR A 117 -21.530 -18.134 -8.764 1.00 5.04 C ATOM 1801 O THR A 117 -22.082 -19.012 -8.098 1.00 5.33 O ATOM 1802 CB THR A 117 -19.835 -18.094 -10.620 1.00 5.34 C ATOM 1803 OG1 THR A 117 -20.096 -19.342 -11.275 1.00 5.60 O ATOM 1804 CG2 THR A 117 -18.418 -17.636 -10.942 1.00 5.74 C ATOM 1805 H THR A 117 -20.047 -20.302 -8.663 1.00 4.46 H ATOM 1806 HA THR A 117 -19.522 -17.428 -8.605 1.00 4.84 H ATOM 1807 HB THR A 117 -20.526 -17.354 -10.995 1.00 5.72 H ATOM 1808 HG1 THR A 117 -19.364 -19.952 -11.101 1.00 5.83 H ATOM 1809 HG21 THR A 117 -18.239 -16.672 -10.489 1.00 5.97 H ATOM 1810 HG22 THR A 117 -18.299 -17.560 -12.013 1.00 5.92 H ATOM 1811 HG23 THR A 117 -17.712 -18.354 -10.552 1.00 6.02 H ATOM 1812 N ARG A 118 -22.168 -17.063 -9.209 1.00 5.35 N ATOM 1813 CA ARG A 118 -23.588 -16.865 -8.962 1.00 6.00 C ATOM 1814 C ARG A 118 -24.381 -17.123 -10.233 1.00 6.64 C ATOM 1815 O ARG A 118 -25.005 -18.196 -10.336 1.00 7.08 O ATOM 1816 CB ARG A 118 -23.862 -15.448 -8.448 1.00 6.10 C ATOM 1817 CG ARG A 118 -23.212 -15.136 -7.107 1.00 6.30 C ATOM 1818 CD ARG A 118 -23.664 -16.101 -6.020 1.00 6.91 C ATOM 1819 NE ARG A 118 -25.115 -16.100 -5.851 1.00 7.30 N ATOM 1820 CZ ARG A 118 -25.792 -17.059 -5.224 1.00 8.08 C ATOM 1821 NH1 ARG A 118 -25.147 -18.100 -4.709 1.00 8.53 N1+ ATOM 1822 NH2 ARG A 118 -27.112 -16.976 -5.112 1.00 8.67 N ATOM 1823 OXT ARG A 118 -24.352 -16.257 -11.137 1.00 6.98 O ATOM 1824 H ARG A 118 -21.677 -16.391 -9.730 1.00 5.37 H ATOM 1825 HA ARG A 118 -23.894 -17.581 -8.212 1.00 6.32 H ATOM 1826 HB2 ARG A 118 -23.494 -14.739 -9.172 1.00 6.21 H ATOM 1827 HB3 ARG A 118 -24.929 -15.315 -8.346 1.00 6.33 H ATOM 1828 HG2 ARG A 118 -22.141 -15.205 -7.213 1.00 6.23 H ATOM 1829 HG3 ARG A 118 -23.482 -14.130 -6.817 1.00 6.46 H ATOM 1830 HD2 ARG A 118 -23.344 -17.098 -6.283 1.00 7.16 H ATOM 1831 HD3 ARG A 118 -23.203 -15.814 -5.087 1.00 7.18 H ATOM 1832 HE ARG A 118 -25.613 -15.339 -6.229 1.00 7.18 H ATOM 1833 HH11 ARG A 118 -24.149 -18.168 -4.787 1.00 8.31 H ATOM 1834 HH12 ARG A 118 -25.658 -18.828 -4.244 1.00 9.24 H ATOM 1835 HH21 ARG A 118 -27.604 -16.191 -5.499 1.00 8.55 H ATOM 1836 HH22 ARG A 118 -27.625 -17.697 -4.637 1.00 9.37 H TER 1837 ARG A 118 ATOM 1838 N SER B 1 -20.802 -8.439 -9.891 1.00 13.98 N ATOM 1839 CA SER B 1 -21.628 -8.055 -8.728 1.00 13.45 C ATOM 1840 C SER B 1 -22.405 -6.776 -9.009 1.00 12.78 C ATOM 1841 O SER B 1 -21.822 -5.696 -9.130 1.00 12.80 O ATOM 1842 CB SER B 1 -20.738 -7.853 -7.499 1.00 13.72 C ATOM 1843 OG SER B 1 -19.977 -9.017 -7.221 1.00 13.92 O ATOM 1844 H1 SER B 1 -21.405 -8.593 -10.723 1.00 14.17 H ATOM 1845 H2 SER B 1 -20.284 -9.316 -9.687 1.00 14.21 H ATOM 1846 H3 SER B 1 -20.116 -7.688 -10.106 1.00 14.10 H ATOM 1847 HA SER B 1 -22.328 -8.853 -8.528 1.00 13.54 H ATOM 1848 HB2 SER B 1 -20.062 -7.031 -7.679 1.00 13.99 H ATOM 1849 HB3 SER B 1 -21.356 -7.629 -6.644 1.00 13.69 H ATOM 1850 HG SER B 1 -19.086 -8.757 -6.952 1.00 14.13 H ATOM 1851 N SER B 2 -23.719 -6.900 -9.124 1.00 12.37 N ATOM 1852 CA SER B 2 -24.583 -5.748 -9.318 1.00 11.90 C ATOM 1853 C SER B 2 -25.684 -5.737 -8.263 1.00 11.16 C ATOM 1854 O SER B 2 -25.767 -4.821 -7.442 1.00 10.96 O ATOM 1855 CB SER B 2 -25.174 -5.760 -10.729 1.00 12.39 C ATOM 1856 OG SER B 2 -25.755 -7.019 -11.035 1.00 12.76 O ATOM 1857 H SER B 2 -24.120 -7.793 -9.083 1.00 12.52 H ATOM 1858 HA SER B 2 -23.981 -4.861 -9.197 1.00 11.93 H ATOM 1859 HB2 SER B 2 -25.939 -4.998 -10.805 1.00 12.43 H ATOM 1860 HB3 SER B 2 -24.393 -5.554 -11.446 1.00 12.60 H ATOM 1861 HG SER B 2 -26.306 -6.930 -11.825 1.00 12.86 H ATOM 1862 N THR B 3 -26.515 -6.766 -8.279 1.00 10.95 N ATOM 1863 CA THR B 3 -27.563 -6.925 -7.287 1.00 10.45 C ATOM 1864 C THR B 3 -27.062 -7.754 -6.112 1.00 9.78 C ATOM 1865 O THR B 3 -27.473 -7.555 -4.968 1.00 9.89 O ATOM 1866 CB THR B 3 -28.800 -7.598 -7.904 1.00 10.84 C ATOM 1867 OG1 THR B 3 -28.389 -8.701 -8.723 1.00 11.27 O ATOM 1868 CG2 THR B 3 -29.604 -6.610 -8.735 1.00 11.36 C ATOM 1869 H THR B 3 -26.428 -7.440 -8.993 1.00 11.28 H ATOM 1870 HA THR B 3 -27.846 -5.943 -6.934 1.00 10.45 H ATOM 1871 HB THR B 3 -29.425 -7.967 -7.105 1.00 10.61 H ATOM 1872 HG1 THR B 3 -28.784 -9.512 -8.389 1.00 11.39 H ATOM 1873 HG21 THR B 3 -30.467 -7.109 -9.149 1.00 11.48 H ATOM 1874 HG22 THR B 3 -28.989 -6.230 -9.537 1.00 11.60 H ATOM 1875 HG23 THR B 3 -29.928 -5.792 -8.109 1.00 11.53 H ATOM 1876 N HIS B 4 -26.156 -8.673 -6.404 1.00 9.22 N ATOM 1877 CA HIS B 4 -25.590 -9.542 -5.389 1.00 8.59 C ATOM 1878 C HIS B 4 -24.087 -9.313 -5.285 1.00 7.92 C ATOM 1879 O HIS B 4 -23.349 -9.578 -6.232 1.00 7.96 O ATOM 1880 CB HIS B 4 -25.880 -11.008 -5.734 1.00 8.85 C ATOM 1881 CG HIS B 4 -25.415 -11.990 -4.700 1.00 9.20 C ATOM 1882 ND1 HIS B 4 -26.252 -12.537 -3.750 1.00 9.92 N ATOM 1883 CD2 HIS B 4 -24.197 -12.542 -4.479 1.00 9.14 C ATOM 1884 CE1 HIS B 4 -25.570 -13.376 -2.996 1.00 10.29 C ATOM 1885 NE2 HIS B 4 -24.323 -13.397 -3.417 1.00 9.84 N ATOM 1886 H HIS B 4 -25.856 -8.768 -7.335 1.00 9.30 H ATOM 1887 HA HIS B 4 -26.051 -9.301 -4.445 1.00 8.55 H ATOM 1888 HB2 HIS B 4 -26.944 -11.137 -5.857 1.00 8.78 H ATOM 1889 HB3 HIS B 4 -25.388 -11.250 -6.663 1.00 9.10 H ATOM 1890 HD1 HIS B 4 -27.207 -12.329 -3.634 1.00 10.22 H ATOM 1891 HD2 HIS B 4 -23.294 -12.340 -5.039 1.00 8.75 H ATOM 1892 HE1 HIS B 4 -25.968 -13.951 -2.174 1.00 10.95 H ATOM 1893 HE2 HIS B 4 -23.578 -13.837 -2.948 1.00 10.10 H ATOM 1894 N PRO B 5 -23.617 -8.810 -4.137 1.00 7.46 N ATOM 1895 CA PRO B 5 -22.191 -8.579 -3.909 1.00 6.96 C ATOM 1896 C PRO B 5 -21.443 -9.881 -3.643 1.00 6.36 C ATOM 1897 O PRO B 5 -21.708 -10.571 -2.657 1.00 5.90 O ATOM 1898 CB PRO B 5 -22.171 -7.679 -2.673 1.00 6.99 C ATOM 1899 CG PRO B 5 -23.424 -8.012 -1.935 1.00 7.21 C ATOM 1900 CD PRO B 5 -24.437 -8.431 -2.969 1.00 7.63 C ATOM 1901 HA PRO B 5 -21.734 -8.065 -4.744 1.00 7.21 H ATOM 1902 HB2 PRO B 5 -21.294 -7.901 -2.081 1.00 6.61 H ATOM 1903 HB3 PRO B 5 -22.154 -6.641 -2.975 1.00 7.42 H ATOM 1904 HG2 PRO B 5 -23.237 -8.825 -1.247 1.00 6.88 H ATOM 1905 HG3 PRO B 5 -23.776 -7.144 -1.397 1.00 7.59 H ATOM 1906 HD2 PRO B 5 -25.010 -9.275 -2.613 1.00 7.65 H ATOM 1907 HD3 PRO B 5 -25.092 -7.604 -3.211 1.00 8.15 H ATOM 1908 N VAL B 6 -20.524 -10.227 -4.529 1.00 6.54 N ATOM 1909 CA VAL B 6 -19.743 -11.447 -4.375 1.00 6.20 C ATOM 1910 C VAL B 6 -18.468 -11.160 -3.581 1.00 5.73 C ATOM 1911 O VAL B 6 -17.350 -11.298 -4.083 1.00 5.25 O ATOM 1912 CB VAL B 6 -19.386 -12.075 -5.742 1.00 6.06 C ATOM 1913 CG1 VAL B 6 -18.770 -13.453 -5.562 1.00 6.03 C ATOM 1914 CG2 VAL B 6 -20.614 -12.157 -6.635 1.00 6.65 C ATOM 1915 H VAL B 6 -20.363 -9.650 -5.310 1.00 7.04 H ATOM 1916 HA VAL B 6 -20.343 -12.155 -3.823 1.00 6.58 H ATOM 1917 HB VAL B 6 -18.658 -11.441 -6.224 1.00 5.75 H ATOM 1918 HG11 VAL B 6 -19.471 -14.096 -5.047 1.00 6.31 H ATOM 1919 HG12 VAL B 6 -17.864 -13.370 -4.980 1.00 6.10 H ATOM 1920 HG13 VAL B 6 -18.541 -13.874 -6.529 1.00 5.94 H ATOM 1921 HG21 VAL B 6 -21.363 -12.773 -6.160 1.00 6.89 H ATOM 1922 HG22 VAL B 6 -20.339 -12.593 -7.584 1.00 6.89 H ATOM 1923 HG23 VAL B 6 -21.011 -11.165 -6.796 1.00 6.84 H ATOM 1924 N PHE B 7 -18.642 -10.747 -2.335 1.00 6.03 N ATOM 1925 CA PHE B 7 -17.509 -10.446 -1.474 1.00 5.88 C ATOM 1926 C PHE B 7 -17.073 -11.681 -0.698 1.00 5.45 C ATOM 1927 O PHE B 7 -15.934 -11.769 -0.244 1.00 5.70 O ATOM 1928 CB PHE B 7 -17.833 -9.308 -0.504 1.00 5.99 C ATOM 1929 CG PHE B 7 -17.917 -7.958 -1.156 1.00 5.81 C ATOM 1930 CD1 PHE B 7 -16.913 -7.521 -2.005 1.00 5.85 C ATOM 1931 CD2 PHE B 7 -18.989 -7.118 -0.903 1.00 6.35 C ATOM 1932 CE1 PHE B 7 -16.977 -6.272 -2.589 1.00 6.45 C ATOM 1933 CE2 PHE B 7 -19.060 -5.870 -1.488 1.00 6.90 C ATOM 1934 CZ PHE B 7 -18.052 -5.446 -2.333 1.00 7.27 C ATOM 1935 H PHE B 7 -19.554 -10.645 -1.986 1.00 6.48 H ATOM 1936 HA PHE B 7 -16.694 -10.140 -2.111 1.00 6.34 H ATOM 1937 HB2 PHE B 7 -18.782 -9.506 -0.032 1.00 6.24 H ATOM 1938 HB3 PHE B 7 -17.065 -9.264 0.253 1.00 6.02 H ATOM 1939 HD1 PHE B 7 -16.074 -8.168 -2.211 1.00 5.60 H ATOM 1940 HD2 PHE B 7 -19.778 -7.450 -0.243 1.00 6.50 H ATOM 1941 HE1 PHE B 7 -16.186 -5.946 -3.247 1.00 6.67 H ATOM 1942 HE2 PHE B 7 -19.900 -5.226 -1.287 1.00 7.44 H ATOM 1943 HZ PHE B 7 -18.105 -4.469 -2.786 1.00 7.83 H ATOM 1944 N HIS B 8 -17.971 -12.652 -0.584 1.00 5.22 N ATOM 1945 CA HIS B 8 -17.678 -13.886 0.139 1.00 5.26 C ATOM 1946 C HIS B 8 -16.712 -14.752 -0.669 1.00 4.90 C ATOM 1947 O HIS B 8 -16.276 -15.813 -0.224 1.00 5.20 O ATOM 1948 CB HIS B 8 -18.976 -14.645 0.443 1.00 5.76 C ATOM 1949 CG HIS B 8 -18.821 -15.744 1.455 1.00 6.40 C ATOM 1950 ND1 HIS B 8 -18.725 -15.508 2.807 1.00 6.97 N ATOM 1951 CD2 HIS B 8 -18.759 -17.089 1.307 1.00 6.87 C ATOM 1952 CE1 HIS B 8 -18.607 -16.655 3.446 1.00 7.72 C ATOM 1953 NE2 HIS B 8 -18.627 -17.634 2.560 1.00 7.69 N ATOM 1954 H HIS B 8 -18.857 -12.534 -0.989 1.00 5.31 H ATOM 1955 HA HIS B 8 -17.202 -13.617 1.070 1.00 5.57 H ATOM 1956 HB2 HIS B 8 -19.710 -13.949 0.824 1.00 5.99 H ATOM 1957 HB3 HIS B 8 -19.349 -15.084 -0.470 1.00 5.80 H ATOM 1958 HD1 HIS B 8 -18.744 -14.624 3.240 1.00 7.00 H ATOM 1959 HD2 HIS B 8 -18.804 -17.634 0.375 1.00 6.81 H ATOM 1960 HE1 HIS B 8 -18.516 -16.775 4.515 1.00 8.41 H ATOM 1961 HE2 HIS B 8 -18.776 -18.580 2.778 1.00 8.32 H ATOM 1962 N MET B 9 -16.394 -14.288 -1.867 1.00 4.58 N ATOM 1963 CA MET B 9 -15.369 -14.904 -2.695 1.00 4.41 C ATOM 1964 C MET B 9 -14.524 -13.810 -3.336 1.00 4.21 C ATOM 1965 O MET B 9 -14.016 -13.961 -4.448 1.00 4.55 O ATOM 1966 CB MET B 9 -15.994 -15.808 -3.770 1.00 4.56 C ATOM 1967 CG MET B 9 -16.676 -17.050 -3.210 1.00 4.76 C ATOM 1968 SD MET B 9 -17.312 -18.145 -4.494 1.00 5.15 S ATOM 1969 CE MET B 9 -18.538 -17.088 -5.263 1.00 5.34 C ATOM 1970 H MET B 9 -16.863 -13.495 -2.204 1.00 4.71 H ATOM 1971 HA MET B 9 -14.740 -15.498 -2.052 1.00 4.60 H ATOM 1972 HB2 MET B 9 -16.730 -15.238 -4.318 1.00 4.62 H ATOM 1973 HB3 MET B 9 -15.220 -16.126 -4.454 1.00 4.89 H ATOM 1974 HG2 MET B 9 -15.963 -17.600 -2.613 1.00 5.03 H ATOM 1975 HG3 MET B 9 -17.499 -16.740 -2.583 1.00 4.79 H ATOM 1976 HE1 MET B 9 -18.059 -16.200 -5.647 1.00 5.52 H ATOM 1977 HE2 MET B 9 -19.281 -16.807 -4.531 1.00 5.48 H ATOM 1978 HE3 MET B 9 -19.015 -17.618 -6.073 1.00 5.62 H ATOM 1979 N GLY B 10 -14.389 -12.701 -2.617 1.00 3.94 N ATOM 1980 CA GLY B 10 -13.632 -11.569 -3.124 1.00 3.98 C ATOM 1981 C GLY B 10 -12.848 -10.865 -2.033 1.00 3.44 C ATOM 1982 O GLY B 10 -11.734 -10.399 -2.262 1.00 3.57 O ATOM 1983 H GLY B 10 -14.803 -12.654 -1.727 1.00 3.94 H ATOM 1984 HA2 GLY B 10 -12.942 -11.920 -3.877 1.00 4.34 H ATOM 1985 HA3 GLY B 10 -14.314 -10.865 -3.577 1.00 4.39 H ATOM 1986 N GLU B 11 -13.428 -10.793 -0.842 1.00 3.27 N ATOM 1987 CA GLU B 11 -12.761 -10.176 0.299 1.00 3.03 C ATOM 1988 C GLU B 11 -12.084 -11.238 1.156 1.00 2.72 C ATOM 1989 O GLU B 11 -12.078 -11.159 2.384 1.00 2.90 O ATOM 1990 CB GLU B 11 -13.762 -9.378 1.145 1.00 3.44 C ATOM 1991 CG GLU B 11 -14.319 -8.148 0.442 1.00 3.88 C ATOM 1992 CD GLU B 11 -13.255 -7.108 0.158 1.00 4.23 C ATOM 1993 OE1 GLU B 11 -12.573 -7.214 -0.881 1.00 4.62 O ATOM 1994 OE2 GLU B 11 -13.087 -6.180 0.976 1.00 4.55 O1+ ATOM 1995 H GLU B 11 -14.330 -11.162 -0.723 1.00 3.61 H ATOM 1996 HA GLU B 11 -12.005 -9.505 -0.082 1.00 3.06 H ATOM 1997 HB2 GLU B 11 -14.589 -10.024 1.404 1.00 3.62 H ATOM 1998 HB3 GLU B 11 -13.268 -9.057 2.054 1.00 3.72 H ATOM 1999 HG2 GLU B 11 -14.764 -8.450 -0.495 1.00 4.10 H ATOM 2000 HG3 GLU B 11 -15.078 -7.703 1.072 1.00 4.23 H ATOM 2001 N PHE B 12 -11.522 -12.238 0.498 1.00 2.45 N ATOM 2002 CA PHE B 12 -10.819 -13.310 1.185 1.00 2.25 C ATOM 2003 C PHE B 12 -9.326 -13.215 0.915 1.00 1.95 C ATOM 2004 O PHE B 12 -8.848 -13.609 -0.148 1.00 2.28 O ATOM 2005 CB PHE B 12 -11.354 -14.682 0.758 1.00 2.41 C ATOM 2006 CG PHE B 12 -12.578 -15.122 1.518 1.00 2.79 C ATOM 2007 CD1 PHE B 12 -13.704 -14.316 1.591 1.00 3.08 C ATOM 2008 CD2 PHE B 12 -12.594 -16.345 2.164 1.00 3.13 C ATOM 2009 CE1 PHE B 12 -14.819 -14.723 2.296 1.00 3.47 C ATOM 2010 CE2 PHE B 12 -13.707 -16.759 2.869 1.00 3.56 C ATOM 2011 CZ PHE B 12 -14.821 -15.946 2.936 1.00 3.65 C ATOM 2012 H PHE B 12 -11.562 -12.244 -0.482 1.00 2.53 H ATOM 2013 HA PHE B 12 -10.986 -13.184 2.246 1.00 2.41 H ATOM 2014 HB2 PHE B 12 -11.608 -14.653 -0.294 1.00 2.45 H ATOM 2015 HB3 PHE B 12 -10.583 -15.425 0.913 1.00 2.40 H ATOM 2016 HD1 PHE B 12 -13.709 -13.358 1.091 1.00 3.15 H ATOM 2017 HD2 PHE B 12 -11.723 -16.982 2.113 1.00 3.21 H ATOM 2018 HE1 PHE B 12 -15.688 -14.087 2.347 1.00 3.79 H ATOM 2019 HE2 PHE B 12 -13.706 -17.716 3.368 1.00 3.96 H ATOM 2020 HZ PHE B 12 -15.692 -16.265 3.488 1.00 4.01 H ATOM 2021 N SER B 13 -8.607 -12.674 1.881 1.00 1.75 N ATOM 2022 CA SER B 13 -7.174 -12.482 1.755 1.00 1.60 C ATOM 2023 C SER B 13 -6.429 -13.707 2.277 1.00 1.44 C ATOM 2024 O SER B 13 -6.956 -14.481 3.082 1.00 1.57 O ATOM 2025 CB SER B 13 -6.744 -11.228 2.528 1.00 1.90 C ATOM 2026 OG SER B 13 -5.358 -10.970 2.368 1.00 2.42 O ATOM 2027 H SER B 13 -9.050 -12.407 2.713 1.00 2.00 H ATOM 2028 HA SER B 13 -6.945 -12.349 0.708 1.00 1.60 H ATOM 2029 HB2 SER B 13 -7.299 -10.375 2.166 1.00 2.46 H ATOM 2030 HB3 SER B 13 -6.952 -11.365 3.580 1.00 1.95 H ATOM 2031 HG SER B 13 -5.080 -10.316 3.018 1.00 2.58 H ATOM 2032 N VAL B 14 -5.202 -13.878 1.796 1.00 1.29 N ATOM 2033 CA VAL B 14 -4.356 -14.996 2.198 1.00 1.26 C ATOM 2034 C VAL B 14 -3.784 -14.778 3.595 1.00 1.26 C ATOM 2035 O VAL B 14 -3.323 -15.717 4.242 1.00 1.41 O ATOM 2036 CB VAL B 14 -3.193 -15.215 1.202 1.00 1.26 C ATOM 2037 CG1 VAL B 14 -3.724 -15.631 -0.159 1.00 1.39 C ATOM 2038 CG2 VAL B 14 -2.334 -13.964 1.077 1.00 1.25 C ATOM 2039 H VAL B 14 -4.854 -13.228 1.150 1.00 1.30 H ATOM 2040 HA VAL B 14 -4.968 -15.890 2.208 1.00 1.38 H ATOM 2041 HB VAL B 14 -2.571 -16.014 1.579 1.00 1.33 H ATOM 2042 HG11 VAL B 14 -2.897 -15.745 -0.845 1.00 1.71 H ATOM 2043 HG12 VAL B 14 -4.398 -14.873 -0.529 1.00 1.71 H ATOM 2044 HG13 VAL B 14 -4.250 -16.570 -0.070 1.00 1.81 H ATOM 2045 HG21 VAL B 14 -1.506 -14.161 0.412 1.00 1.67 H ATOM 2046 HG22 VAL B 14 -1.956 -13.687 2.050 1.00 1.50 H ATOM 2047 HG23 VAL B 14 -2.929 -13.156 0.679 1.00 1.68 H ATOM 2048 N CYS B 15 -3.823 -13.535 4.049 1.00 1.23 N ATOM 2049 CA CYS B 15 -3.322 -13.180 5.366 1.00 1.33 C ATOM 2050 C CYS B 15 -4.327 -12.290 6.080 1.00 1.39 C ATOM 2051 O CYS B 15 -5.092 -11.568 5.437 1.00 1.49 O ATOM 2052 CB CYS B 15 -1.975 -12.460 5.248 1.00 1.35 C ATOM 2053 SG CYS B 15 -1.202 -12.064 6.851 1.00 1.75 S ATOM 2054 H CYS B 15 -4.210 -12.835 3.484 1.00 1.22 H ATOM 2055 HA CYS B 15 -3.191 -14.091 5.933 1.00 1.46 H ATOM 2056 HB2 CYS B 15 -1.287 -13.086 4.699 1.00 1.72 H ATOM 2057 HB3 CYS B 15 -2.119 -11.530 4.713 1.00 1.63 H ATOM 2058 N ASP B 16 -4.327 -12.343 7.402 1.00 1.53 N ATOM 2059 CA ASP B 16 -5.251 -11.544 8.195 1.00 1.63 C ATOM 2060 C ASP B 16 -4.576 -10.244 8.617 1.00 1.55 C ATOM 2061 O ASP B 16 -3.591 -10.253 9.358 1.00 1.56 O ATOM 2062 CB ASP B 16 -5.724 -12.329 9.424 1.00 1.87 C ATOM 2063 CG ASP B 16 -6.811 -11.613 10.196 1.00 2.23 C ATOM 2064 OD1 ASP B 16 -6.850 -11.752 11.436 1.00 2.54 O ATOM 2065 OD2 ASP B 16 -7.638 -10.920 9.572 1.00 2.87 O1+ ATOM 2066 H ASP B 16 -3.675 -12.916 7.856 1.00 1.68 H ATOM 2067 HA ASP B 16 -6.104 -11.307 7.573 1.00 1.64 H ATOM 2068 HB2 ASP B 16 -6.109 -13.287 9.108 1.00 2.18 H ATOM 2069 HB3 ASP B 16 -4.885 -12.485 10.086 1.00 1.93 H ATOM 2070 N SER B 17 -5.102 -9.133 8.134 1.00 1.51 N ATOM 2071 CA SER B 17 -4.481 -7.834 8.348 1.00 1.43 C ATOM 2072 C SER B 17 -5.439 -6.874 9.042 1.00 1.42 C ATOM 2073 O SER B 17 -6.650 -7.100 9.062 1.00 1.52 O ATOM 2074 CB SER B 17 -4.048 -7.254 7.002 1.00 1.42 C ATOM 2075 OG SER B 17 -3.246 -8.178 6.289 1.00 1.72 O ATOM 2076 H SER B 17 -5.940 -9.183 7.621 1.00 1.56 H ATOM 2077 HA SER B 17 -3.611 -7.977 8.970 1.00 1.44 H ATOM 2078 HB2 SER B 17 -4.925 -7.028 6.412 1.00 1.72 H ATOM 2079 HB3 SER B 17 -3.478 -6.350 7.166 1.00 1.57 H ATOM 2080 HG SER B 17 -3.456 -9.071 6.578 1.00 1.91 H ATOM 2081 N VAL B 18 -4.891 -5.818 9.628 1.00 1.34 N ATOM 2082 CA VAL B 18 -5.704 -4.778 10.235 1.00 1.35 C ATOM 2083 C VAL B 18 -5.321 -3.402 9.685 1.00 1.21 C ATOM 2084 O VAL B 18 -4.189 -2.947 9.850 1.00 1.13 O ATOM 2085 CB VAL B 18 -5.590 -4.791 11.778 1.00 1.46 C ATOM 2086 CG1 VAL B 18 -4.139 -4.767 12.230 1.00 1.43 C ATOM 2087 CG2 VAL B 18 -6.367 -3.637 12.390 1.00 1.51 C ATOM 2088 H VAL B 18 -3.909 -5.739 9.665 1.00 1.30 H ATOM 2089 HA VAL B 18 -6.731 -4.978 9.973 1.00 1.44 H ATOM 2090 HB VAL B 18 -6.028 -5.709 12.134 1.00 1.57 H ATOM 2091 HG11 VAL B 18 -4.097 -4.764 13.309 1.00 1.78 H ATOM 2092 HG12 VAL B 18 -3.658 -3.878 11.848 1.00 1.78 H ATOM 2093 HG13 VAL B 18 -3.630 -5.642 11.852 1.00 1.72 H ATOM 2094 HG21 VAL B 18 -6.229 -3.639 13.462 1.00 1.82 H ATOM 2095 HG22 VAL B 18 -7.416 -3.747 12.161 1.00 1.79 H ATOM 2096 HG23 VAL B 18 -6.007 -2.705 11.984 1.00 1.88 H ATOM 2097 N SER B 19 -6.256 -2.762 9.001 1.00 1.23 N ATOM 2098 CA SER B 19 -6.030 -1.425 8.476 1.00 1.15 C ATOM 2099 C SER B 19 -6.558 -0.378 9.449 1.00 1.11 C ATOM 2100 O SER B 19 -7.743 -0.368 9.794 1.00 1.20 O ATOM 2101 CB SER B 19 -6.696 -1.264 7.106 1.00 1.28 C ATOM 2102 OG SER B 19 -6.176 -2.202 6.176 1.00 1.66 O ATOM 2103 H SER B 19 -7.120 -3.200 8.846 1.00 1.34 H ATOM 2104 HA SER B 19 -4.964 -1.291 8.367 1.00 1.07 H ATOM 2105 HB2 SER B 19 -7.762 -1.425 7.203 1.00 1.63 H ATOM 2106 HB3 SER B 19 -6.513 -0.264 6.733 1.00 1.54 H ATOM 2107 HG SER B 19 -5.270 -1.947 5.938 1.00 1.95 H ATOM 2108 N VAL B 20 -5.672 0.495 9.898 1.00 1.01 N ATOM 2109 CA VAL B 20 -6.021 1.509 10.874 1.00 0.99 C ATOM 2110 C VAL B 20 -5.797 2.897 10.299 1.00 0.95 C ATOM 2111 O VAL B 20 -4.803 3.137 9.621 1.00 0.91 O ATOM 2112 CB VAL B 20 -5.171 1.356 12.154 1.00 0.95 C ATOM 2113 CG1 VAL B 20 -5.577 2.371 13.209 1.00 0.98 C ATOM 2114 CG2 VAL B 20 -5.268 -0.060 12.699 1.00 1.03 C ATOM 2115 H VAL B 20 -4.745 0.450 9.567 1.00 0.98 H ATOM 2116 HA VAL B 20 -7.060 1.390 11.132 1.00 1.08 H ATOM 2117 HB VAL B 20 -4.143 1.543 11.895 1.00 0.89 H ATOM 2118 HG11 VAL B 20 -6.623 2.245 13.448 1.00 1.54 H ATOM 2119 HG12 VAL B 20 -5.411 3.369 12.830 1.00 1.34 H ATOM 2120 HG13 VAL B 20 -4.984 2.221 14.098 1.00 1.37 H ATOM 2121 HG21 VAL B 20 -4.664 -0.145 13.590 1.00 1.48 H ATOM 2122 HG22 VAL B 20 -4.912 -0.756 11.953 1.00 1.55 H ATOM 2123 HG23 VAL B 20 -6.297 -0.282 12.938 1.00 1.35 H ATOM 2124 N TRP B 21 -6.727 3.798 10.559 1.00 1.02 N ATOM 2125 CA TRP B 21 -6.557 5.187 10.177 1.00 1.01 C ATOM 2126 C TRP B 21 -6.000 5.958 11.361 1.00 0.96 C ATOM 2127 O TRP B 21 -6.737 6.390 12.251 1.00 1.02 O ATOM 2128 CB TRP B 21 -7.881 5.794 9.707 1.00 1.15 C ATOM 2129 CG TRP B 21 -8.365 5.212 8.412 1.00 1.22 C ATOM 2130 CD1 TRP B 21 -9.215 4.154 8.253 1.00 1.45 C ATOM 2131 CD2 TRP B 21 -8.021 5.652 7.091 1.00 1.24 C ATOM 2132 NE1 TRP B 21 -9.422 3.913 6.917 1.00 1.61 N ATOM 2133 CE2 TRP B 21 -8.699 4.817 6.183 1.00 1.44 C ATOM 2134 CE3 TRP B 21 -7.204 6.673 6.586 1.00 1.26 C ATOM 2135 CZ2 TRP B 21 -8.587 4.968 4.803 1.00 1.54 C ATOM 2136 CZ3 TRP B 21 -7.095 6.823 5.214 1.00 1.35 C ATOM 2137 CH2 TRP B 21 -7.782 5.975 4.339 1.00 1.44 C ATOM 2138 H TRP B 21 -7.542 3.524 11.029 1.00 1.11 H ATOM 2139 HA TRP B 21 -5.840 5.222 9.368 1.00 0.98 H ATOM 2140 HB2 TRP B 21 -8.637 5.618 10.457 1.00 1.19 H ATOM 2141 HB3 TRP B 21 -7.754 6.858 9.571 1.00 1.29 H ATOM 2142 HD1 TRP B 21 -9.656 3.598 9.069 1.00 1.57 H ATOM 2143 HE1 TRP B 21 -9.998 3.205 6.548 1.00 1.86 H ATOM 2144 HE3 TRP B 21 -6.666 7.337 7.247 1.00 1.31 H ATOM 2145 HZ2 TRP B 21 -9.108 4.323 4.113 1.00 1.76 H ATOM 2146 HZ3 TRP B 21 -6.469 7.603 4.805 1.00 1.46 H ATOM 2147 HH2 TRP B 21 -7.665 6.127 3.275 1.00 1.54 H ATOM 2148 N VAL B 22 -4.692 6.110 11.365 1.00 0.88 N ATOM 2149 CA VAL B 22 -3.983 6.688 12.486 1.00 0.86 C ATOM 2150 C VAL B 22 -3.885 8.200 12.359 1.00 0.93 C ATOM 2151 O VAL B 22 -3.377 8.719 11.365 1.00 0.96 O ATOM 2152 CB VAL B 22 -2.566 6.093 12.595 1.00 0.81 C ATOM 2153 CG1 VAL B 22 -1.798 6.712 13.751 1.00 0.85 C ATOM 2154 CG2 VAL B 22 -2.641 4.585 12.748 1.00 0.81 C ATOM 2155 H VAL B 22 -4.178 5.818 10.577 1.00 0.85 H ATOM 2156 HA VAL B 22 -4.525 6.443 13.387 1.00 0.90 H ATOM 2157 HB VAL B 22 -2.035 6.313 11.683 1.00 0.82 H ATOM 2158 HG11 VAL B 22 -1.687 7.772 13.581 1.00 1.41 H ATOM 2159 HG12 VAL B 22 -0.823 6.253 13.818 1.00 1.25 H ATOM 2160 HG13 VAL B 22 -2.339 6.548 14.672 1.00 1.33 H ATOM 2161 HG21 VAL B 22 -3.155 4.162 11.897 1.00 1.38 H ATOM 2162 HG22 VAL B 22 -3.178 4.339 13.653 1.00 1.27 H ATOM 2163 HG23 VAL B 22 -1.642 4.179 12.801 1.00 1.27 H ATOM 2164 N GLY B 23 -4.391 8.893 13.362 1.00 1.04 N ATOM 2165 CA GLY B 23 -4.244 10.328 13.430 1.00 1.18 C ATOM 2166 C GLY B 23 -3.501 10.736 14.682 1.00 1.12 C ATOM 2167 O GLY B 23 -3.658 11.849 15.177 1.00 1.27 O ATOM 2168 H GLY B 23 -4.881 8.421 14.069 1.00 1.08 H ATOM 2169 HA2 GLY B 23 -3.695 10.670 12.561 1.00 1.29 H ATOM 2170 HA3 GLY B 23 -5.223 10.787 13.437 1.00 1.36 H ATOM 2171 N ASP B 24 -2.700 9.814 15.205 1.00 1.12 N ATOM 2172 CA ASP B 24 -1.946 10.053 16.431 1.00 1.29 C ATOM 2173 C ASP B 24 -0.474 9.698 16.261 1.00 1.10 C ATOM 2174 O ASP B 24 0.260 9.585 17.244 1.00 1.30 O ATOM 2175 CB ASP B 24 -2.541 9.244 17.593 1.00 1.66 C ATOM 2176 CG ASP B 24 -2.471 7.745 17.366 1.00 2.34 C ATOM 2177 OD1 ASP B 24 -1.501 7.107 17.830 1.00 3.01 O ATOM 2178 OD2 ASP B 24 -3.394 7.197 16.730 1.00 2.89 O1+ ATOM 2179 H ASP B 24 -2.627 8.942 14.764 1.00 1.15 H ATOM 2180 HA ASP B 24 -2.023 11.105 16.663 1.00 1.50 H ATOM 2181 HB2 ASP B 24 -2.000 9.473 18.498 1.00 1.99 H ATOM 2182 HB3 ASP B 24 -3.580 9.519 17.720 1.00 1.92 H ATOM 2183 N LYS B 25 -0.041 9.535 15.017 1.00 0.92 N ATOM 2184 CA LYS B 25 1.348 9.201 14.733 1.00 0.84 C ATOM 2185 C LYS B 25 2.243 10.395 15.058 1.00 0.91 C ATOM 2186 O LYS B 25 1.986 11.509 14.603 1.00 1.32 O ATOM 2187 CB LYS B 25 1.509 8.796 13.263 1.00 0.83 C ATOM 2188 CG LYS B 25 2.915 8.347 12.898 1.00 0.78 C ATOM 2189 CD LYS B 25 3.027 7.957 11.431 1.00 0.92 C ATOM 2190 CE LYS B 25 2.286 6.659 11.118 1.00 1.01 C ATOM 2191 NZ LYS B 25 2.855 5.495 11.852 1.00 1.09 N1+ ATOM 2192 H LYS B 25 -0.665 9.655 14.273 1.00 1.01 H ATOM 2193 HA LYS B 25 1.627 8.369 15.365 1.00 0.91 H ATOM 2194 HB2 LYS B 25 0.828 7.988 13.050 1.00 1.04 H ATOM 2195 HB3 LYS B 25 1.253 9.640 12.641 1.00 1.06 H ATOM 2196 HG2 LYS B 25 3.599 9.156 13.092 1.00 1.00 H ATOM 2197 HG3 LYS B 25 3.181 7.496 13.508 1.00 0.98 H ATOM 2198 HD2 LYS B 25 2.608 8.749 10.830 1.00 1.20 H ATOM 2199 HD3 LYS B 25 4.070 7.833 11.185 1.00 1.18 H ATOM 2200 HE2 LYS B 25 1.249 6.775 11.396 1.00 1.57 H ATOM 2201 HE3 LYS B 25 2.352 6.468 10.054 1.00 1.51 H ATOM 2202 HZ1 LYS B 25 2.726 5.618 12.878 1.00 1.57 H ATOM 2203 HZ2 LYS B 25 3.872 5.405 11.652 1.00 1.64 H ATOM 2204 HZ3 LYS B 25 2.373 4.615 11.556 1.00 1.56 H ATOM 2205 N THR B 26 3.273 10.169 15.859 1.00 0.85 N ATOM 2206 CA THR B 26 4.131 11.255 16.307 1.00 0.96 C ATOM 2207 C THR B 26 5.460 11.279 15.549 1.00 0.88 C ATOM 2208 O THR B 26 6.031 12.342 15.328 1.00 0.92 O ATOM 2209 CB THR B 26 4.386 11.179 17.834 1.00 1.20 C ATOM 2210 OG1 THR B 26 5.146 12.310 18.276 1.00 1.82 O ATOM 2211 CG2 THR B 26 5.114 9.900 18.222 1.00 1.40 C ATOM 2212 H THR B 26 3.462 9.253 16.156 1.00 0.99 H ATOM 2213 HA THR B 26 3.612 12.179 16.105 1.00 1.03 H ATOM 2214 HB THR B 26 3.429 11.190 18.336 1.00 1.48 H ATOM 2215 HG1 THR B 26 4.858 13.098 17.794 1.00 2.11 H ATOM 2216 HG21 THR B 26 6.043 9.835 17.676 1.00 1.83 H ATOM 2217 HG22 THR B 26 4.497 9.047 17.986 1.00 1.82 H ATOM 2218 HG23 THR B 26 5.321 9.912 19.282 1.00 1.87 H ATOM 2219 N THR B 27 5.937 10.117 15.126 1.00 0.83 N ATOM 2220 CA THR B 27 7.208 10.037 14.420 1.00 0.80 C ATOM 2221 C THR B 27 7.141 9.059 13.257 1.00 0.75 C ATOM 2222 O THR B 27 6.488 8.016 13.340 1.00 0.77 O ATOM 2223 CB THR B 27 8.353 9.628 15.364 1.00 0.91 C ATOM 2224 OG1 THR B 27 7.881 8.680 16.334 1.00 0.99 O ATOM 2225 CG2 THR B 27 8.936 10.845 16.066 1.00 1.00 C ATOM 2226 H THR B 27 5.429 9.297 15.293 1.00 0.85 H ATOM 2227 HA THR B 27 7.430 11.017 14.030 1.00 0.81 H ATOM 2228 HB THR B 27 9.132 9.166 14.773 1.00 0.92 H ATOM 2229 HG1 THR B 27 7.504 7.917 15.876 1.00 1.26 H ATOM 2230 HG21 THR B 27 9.329 11.531 15.330 1.00 1.43 H ATOM 2231 HG22 THR B 27 9.732 10.531 16.727 1.00 1.37 H ATOM 2232 HG23 THR B 27 8.164 11.333 16.640 1.00 1.53 H ATOM 2233 N ALA B 28 7.811 9.411 12.170 1.00 0.73 N ATOM 2234 CA ALA B 28 7.885 8.549 11.004 1.00 0.72 C ATOM 2235 C ALA B 28 9.243 8.690 10.337 1.00 0.75 C ATOM 2236 O ALA B 28 10.003 9.601 10.657 1.00 0.79 O ATOM 2237 CB ALA B 28 6.776 8.885 10.021 1.00 0.71 C ATOM 2238 H ALA B 28 8.273 10.285 12.153 1.00 0.75 H ATOM 2239 HA ALA B 28 7.755 7.530 11.329 1.00 0.76 H ATOM 2240 HB1 ALA B 28 5.821 8.822 10.521 1.00 1.18 H ATOM 2241 HB2 ALA B 28 6.800 8.187 9.199 1.00 1.22 H ATOM 2242 HB3 ALA B 28 6.922 9.889 9.645 1.00 1.29 H ATOM 2243 N THR B 29 9.549 7.792 9.420 1.00 0.79 N ATOM 2244 CA THR B 29 10.818 7.836 8.721 1.00 0.84 C ATOM 2245 C THR B 29 10.621 8.261 7.270 1.00 0.84 C ATOM 2246 O THR B 29 9.928 7.587 6.502 1.00 0.84 O ATOM 2247 CB THR B 29 11.523 6.469 8.766 1.00 0.93 C ATOM 2248 OG1 THR B 29 11.541 5.976 10.113 1.00 0.99 O ATOM 2249 CG2 THR B 29 12.947 6.581 8.247 1.00 1.01 C ATOM 2250 H THR B 29 8.905 7.084 9.206 1.00 0.80 H ATOM 2251 HA THR B 29 11.447 8.561 9.217 1.00 0.88 H ATOM 2252 HB THR B 29 10.978 5.778 8.144 1.00 0.94 H ATOM 2253 HG1 THR B 29 10.650 6.017 10.479 1.00 1.09 H ATOM 2254 HG21 THR B 29 12.930 6.942 7.228 1.00 1.46 H ATOM 2255 HG22 THR B 29 13.416 5.609 8.276 1.00 1.52 H ATOM 2256 HG23 THR B 29 13.504 7.271 8.864 1.00 1.36 H ATOM 2257 N ASP B 30 11.231 9.383 6.914 1.00 0.89 N ATOM 2258 CA ASP B 30 11.150 9.929 5.561 1.00 0.96 C ATOM 2259 C ASP B 30 11.858 9.010 4.563 1.00 1.00 C ATOM 2260 O ASP B 30 12.609 8.118 4.964 1.00 1.12 O ATOM 2261 CB ASP B 30 11.765 11.341 5.537 1.00 1.07 C ATOM 2262 CG ASP B 30 11.828 11.950 4.150 1.00 1.21 C ATOM 2263 OD1 ASP B 30 12.916 11.911 3.544 1.00 1.58 O ATOM 2264 OD2 ASP B 30 10.804 12.466 3.661 1.00 1.84 O1+ ATOM 2265 H ASP B 30 11.767 9.864 7.588 1.00 0.92 H ATOM 2266 HA ASP B 30 10.106 9.996 5.291 1.00 0.96 H ATOM 2267 HB2 ASP B 30 11.176 11.995 6.165 1.00 1.18 H ATOM 2268 HB3 ASP B 30 12.774 11.288 5.928 1.00 1.22 H ATOM 2269 N ILE B 31 11.617 9.217 3.275 1.00 1.01 N ATOM 2270 CA ILE B 31 12.220 8.402 2.229 1.00 1.08 C ATOM 2271 C ILE B 31 13.749 8.465 2.283 1.00 1.14 C ATOM 2272 O ILE B 31 14.433 7.499 1.947 1.00 1.22 O ATOM 2273 CB ILE B 31 11.708 8.830 0.829 1.00 1.14 C ATOM 2274 CG1 ILE B 31 12.328 7.962 -0.272 1.00 1.24 C ATOM 2275 CG2 ILE B 31 11.997 10.305 0.573 1.00 1.18 C ATOM 2276 CD1 ILE B 31 11.778 8.249 -1.654 1.00 1.33 C ATOM 2277 H ILE B 31 11.009 9.947 3.017 1.00 1.04 H ATOM 2278 HA ILE B 31 11.914 7.378 2.398 1.00 1.07 H ATOM 2279 HB ILE B 31 10.636 8.700 0.814 1.00 1.13 H ATOM 2280 HG12 ILE B 31 13.393 8.135 -0.300 1.00 1.28 H ATOM 2281 HG13 ILE B 31 12.142 6.921 -0.050 1.00 1.25 H ATOM 2282 HG21 ILE B 31 11.624 10.581 -0.402 1.00 1.56 H ATOM 2283 HG22 ILE B 31 13.064 10.473 0.611 1.00 1.54 H ATOM 2284 HG23 ILE B 31 11.512 10.904 1.328 1.00 1.57 H ATOM 2285 HD11 ILE B 31 12.247 7.595 -2.372 1.00 1.74 H ATOM 2286 HD12 ILE B 31 11.983 9.276 -1.915 1.00 1.61 H ATOM 2287 HD13 ILE B 31 10.711 8.083 -1.658 1.00 1.72 H ATOM 2288 N LYS B 32 14.278 9.590 2.751 1.00 1.14 N ATOM 2289 CA LYS B 32 15.719 9.778 2.848 1.00 1.23 C ATOM 2290 C LYS B 32 16.284 9.030 4.053 1.00 1.23 C ATOM 2291 O LYS B 32 17.498 8.879 4.196 1.00 1.36 O ATOM 2292 CB LYS B 32 16.037 11.268 2.947 1.00 1.29 C ATOM 2293 CG LYS B 32 15.483 12.075 1.784 1.00 1.34 C ATOM 2294 CD LYS B 32 15.729 13.557 1.966 1.00 1.54 C ATOM 2295 CE LYS B 32 15.050 14.366 0.875 1.00 1.64 C ATOM 2296 NZ LYS B 32 15.526 13.986 -0.481 1.00 2.22 N1+ ATOM 2297 H LYS B 32 13.679 10.322 3.039 1.00 1.11 H ATOM 2298 HA LYS B 32 16.168 9.383 1.952 1.00 1.30 H ATOM 2299 HB2 LYS B 32 15.610 11.655 3.861 1.00 1.24 H ATOM 2300 HB3 LYS B 32 17.108 11.399 2.974 1.00 1.37 H ATOM 2301 HG2 LYS B 32 15.960 11.753 0.872 1.00 1.43 H ATOM 2302 HG3 LYS B 32 14.419 11.903 1.715 1.00 1.35 H ATOM 2303 HD2 LYS B 32 15.331 13.857 2.919 1.00 1.63 H ATOM 2304 HD3 LYS B 32 16.791 13.746 1.937 1.00 1.72 H ATOM 2305 HE2 LYS B 32 13.987 14.195 0.934 1.00 1.87 H ATOM 2306 HE3 LYS B 32 15.254 15.413 1.041 1.00 1.88 H ATOM 2307 HZ1 LYS B 32 15.284 12.995 -0.682 1.00 2.65 H ATOM 2308 HZ2 LYS B 32 16.557 14.095 -0.543 1.00 2.62 H ATOM 2309 HZ3 LYS B 32 15.083 14.592 -1.200 1.00 2.63 H ATOM 2310 N GLY B 33 15.395 8.558 4.916 1.00 1.13 N ATOM 2311 CA GLY B 33 15.815 7.800 6.076 1.00 1.16 C ATOM 2312 C GLY B 33 15.905 8.657 7.317 1.00 1.15 C ATOM 2313 O GLY B 33 16.555 8.286 8.293 1.00 1.25 O ATOM 2314 H GLY B 33 14.439 8.720 4.756 1.00 1.08 H ATOM 2315 HA2 GLY B 33 15.104 7.004 6.249 1.00 1.14 H ATOM 2316 HA3 GLY B 33 16.787 7.368 5.878 1.00 1.24 H ATOM 2317 N LYS B 34 15.258 9.809 7.281 1.00 1.08 N ATOM 2318 CA LYS B 34 15.277 10.730 8.404 1.00 1.10 C ATOM 2319 C LYS B 34 14.055 10.529 9.283 1.00 1.03 C ATOM 2320 O LYS B 34 12.947 10.329 8.783 1.00 1.10 O ATOM 2321 CB LYS B 34 15.314 12.170 7.899 1.00 1.14 C ATOM 2322 CG LYS B 34 16.494 12.475 6.995 1.00 1.24 C ATOM 2323 CD LYS B 34 17.819 12.279 7.706 1.00 1.41 C ATOM 2324 CE LYS B 34 18.986 12.654 6.808 1.00 1.61 C ATOM 2325 NZ LYS B 34 18.973 14.096 6.444 1.00 2.14 N1+ ATOM 2326 H LYS B 34 14.752 10.048 6.479 1.00 1.05 H ATOM 2327 HA LYS B 34 16.165 10.533 8.985 1.00 1.18 H ATOM 2328 HB2 LYS B 34 14.408 12.364 7.346 1.00 1.14 H ATOM 2329 HB3 LYS B 34 15.356 12.837 8.747 1.00 1.22 H ATOM 2330 HG2 LYS B 34 16.457 11.820 6.139 1.00 1.30 H ATOM 2331 HG3 LYS B 34 16.423 13.497 6.666 1.00 1.34 H ATOM 2332 HD2 LYS B 34 17.838 12.901 8.588 1.00 1.49 H ATOM 2333 HD3 LYS B 34 17.915 11.242 7.992 1.00 1.51 H ATOM 2334 HE2 LYS B 34 19.907 12.430 7.320 1.00 1.85 H ATOM 2335 HE3 LYS B 34 18.924 12.067 5.907 1.00 1.92 H ATOM 2336 HZ1 LYS B 34 18.094 14.335 5.945 1.00 2.58 H ATOM 2337 HZ2 LYS B 34 19.780 14.316 5.826 1.00 2.54 H ATOM 2338 HZ3 LYS B 34 19.043 14.682 7.300 1.00 2.50 H ATOM 2339 N GLU B 35 14.261 10.573 10.588 1.00 1.00 N ATOM 2340 CA GLU B 35 13.164 10.487 11.534 1.00 0.95 C ATOM 2341 C GLU B 35 12.518 11.856 11.693 1.00 0.94 C ATOM 2342 O GLU B 35 13.153 12.805 12.154 1.00 1.02 O ATOM 2343 CB GLU B 35 13.662 9.976 12.886 1.00 1.05 C ATOM 2344 CG GLU B 35 12.570 9.858 13.935 1.00 1.08 C ATOM 2345 CD GLU B 35 13.105 9.418 15.279 1.00 1.54 C ATOM 2346 OE1 GLU B 35 13.449 10.293 16.101 1.00 2.19 O ATOM 2347 OE2 GLU B 35 13.186 8.197 15.519 1.00 2.06 O1+ ATOM 2348 H GLU B 35 15.175 10.668 10.925 1.00 1.08 H ATOM 2349 HA GLU B 35 12.432 9.797 11.140 1.00 0.90 H ATOM 2350 HB2 GLU B 35 14.105 9.001 12.750 1.00 1.08 H ATOM 2351 HB3 GLU B 35 14.414 10.654 13.257 1.00 1.11 H ATOM 2352 HG2 GLU B 35 12.096 10.820 14.052 1.00 1.34 H ATOM 2353 HG3 GLU B 35 11.842 9.137 13.600 1.00 1.05 H ATOM 2354 N VAL B 36 11.268 11.961 11.291 1.00 0.87 N ATOM 2355 CA VAL B 36 10.559 13.222 11.346 1.00 0.89 C ATOM 2356 C VAL B 36 9.386 13.140 12.308 1.00 0.85 C ATOM 2357 O VAL B 36 8.824 12.064 12.537 1.00 0.80 O ATOM 2358 CB VAL B 36 10.046 13.647 9.953 1.00 0.91 C ATOM 2359 CG1 VAL B 36 11.203 13.849 8.993 1.00 1.01 C ATOM 2360 CG2 VAL B 36 9.077 12.618 9.397 1.00 0.85 C ATOM 2361 H VAL B 36 10.803 11.163 10.954 1.00 0.82 H ATOM 2362 HA VAL B 36 11.247 13.974 11.699 1.00 0.97 H ATOM 2363 HB VAL B 36 9.523 14.586 10.054 1.00 0.95 H ATOM 2364 HG11 VAL B 36 10.820 14.125 8.023 1.00 1.47 H ATOM 2365 HG12 VAL B 36 11.765 12.930 8.911 1.00 1.40 H ATOM 2366 HG13 VAL B 36 11.846 14.634 9.363 1.00 1.48 H ATOM 2367 HG21 VAL B 36 8.252 12.494 10.081 1.00 1.33 H ATOM 2368 HG22 VAL B 36 9.588 11.674 9.270 1.00 1.19 H ATOM 2369 HG23 VAL B 36 8.704 12.958 8.442 1.00 1.42 H ATOM 2370 N THR B 37 9.027 14.281 12.870 1.00 0.90 N ATOM 2371 CA THR B 37 7.889 14.370 13.755 1.00 0.91 C ATOM 2372 C THR B 37 6.639 14.654 12.939 1.00 0.90 C ATOM 2373 O THR B 37 6.569 15.645 12.209 1.00 0.94 O ATOM 2374 CB THR B 37 8.094 15.469 14.809 1.00 1.00 C ATOM 2375 OG1 THR B 37 9.344 15.261 15.478 1.00 1.04 O ATOM 2376 CG2 THR B 37 6.963 15.476 15.828 1.00 1.04 C ATOM 2377 H THR B 37 9.536 15.098 12.670 1.00 0.96 H ATOM 2378 HA THR B 37 7.777 13.423 14.261 1.00 0.88 H ATOM 2379 HB THR B 37 8.115 16.423 14.311 1.00 1.04 H ATOM 2380 HG1 THR B 37 9.915 14.711 14.925 1.00 1.32 H ATOM 2381 HG21 THR B 37 6.922 14.517 16.326 1.00 1.43 H ATOM 2382 HG22 THR B 37 6.027 15.660 15.326 1.00 1.50 H ATOM 2383 HG23 THR B 37 7.140 16.252 16.558 1.00 1.43 H ATOM 2384 N VAL B 38 5.669 13.771 13.051 1.00 0.87 N ATOM 2385 CA VAL B 38 4.462 13.861 12.258 1.00 0.90 C ATOM 2386 C VAL B 38 3.484 14.857 12.865 1.00 0.97 C ATOM 2387 O VAL B 38 3.198 14.813 14.061 1.00 1.10 O ATOM 2388 CB VAL B 38 3.784 12.482 12.121 1.00 0.90 C ATOM 2389 CG1 VAL B 38 2.474 12.595 11.364 1.00 0.98 C ATOM 2390 CG2 VAL B 38 4.713 11.497 11.428 1.00 0.88 C ATOM 2391 H VAL B 38 5.760 13.043 13.705 1.00 0.87 H ATOM 2392 HA VAL B 38 4.739 14.198 11.274 1.00 0.91 H ATOM 2393 HB VAL B 38 3.572 12.106 13.111 1.00 0.91 H ATOM 2394 HG11 VAL B 38 2.662 12.992 10.378 1.00 1.29 H ATOM 2395 HG12 VAL B 38 1.806 13.255 11.898 1.00 1.55 H ATOM 2396 HG13 VAL B 38 2.024 11.618 11.280 1.00 1.43 H ATOM 2397 HG21 VAL B 38 5.631 11.409 11.991 1.00 1.33 H ATOM 2398 HG22 VAL B 38 4.934 11.850 10.432 1.00 1.39 H ATOM 2399 HG23 VAL B 38 4.233 10.532 11.369 1.00 1.32 H ATOM 2400 N LEU B 39 2.989 15.761 12.037 1.00 1.11 N ATOM 2401 CA LEU B 39 2.016 16.740 12.476 1.00 1.26 C ATOM 2402 C LEU B 39 0.625 16.292 12.061 1.00 1.47 C ATOM 2403 O LEU B 39 0.199 16.533 10.931 1.00 1.91 O ATOM 2404 CB LEU B 39 2.323 18.113 11.871 1.00 1.24 C ATOM 2405 CG LEU B 39 3.724 18.655 12.157 1.00 1.16 C ATOM 2406 CD1 LEU B 39 3.934 19.979 11.443 1.00 1.22 C ATOM 2407 CD2 LEU B 39 3.946 18.816 13.652 1.00 1.22 C ATOM 2408 H LEU B 39 3.275 15.765 11.102 1.00 1.23 H ATOM 2409 HA LEU B 39 2.060 16.803 13.554 1.00 1.32 H ATOM 2410 HB2 LEU B 39 2.201 18.046 10.799 1.00 1.26 H ATOM 2411 HB3 LEU B 39 1.603 18.822 12.256 1.00 1.35 H ATOM 2412 HG LEU B 39 4.455 17.955 11.785 1.00 1.08 H ATOM 2413 HD11 LEU B 39 3.814 19.839 10.380 1.00 1.59 H ATOM 2414 HD12 LEU B 39 4.931 20.343 11.648 1.00 1.69 H ATOM 2415 HD13 LEU B 39 3.208 20.697 11.796 1.00 1.50 H ATOM 2416 HD21 LEU B 39 3.208 19.495 14.054 1.00 1.63 H ATOM 2417 HD22 LEU B 39 4.935 19.212 13.828 1.00 1.56 H ATOM 2418 HD23 LEU B 39 3.852 17.855 14.135 1.00 1.61 H ATOM 2419 N ALA B 40 -0.070 15.615 12.967 1.00 1.58 N ATOM 2420 CA ALA B 40 -1.430 15.167 12.700 1.00 1.83 C ATOM 2421 C ALA B 40 -2.319 16.368 12.429 1.00 1.90 C ATOM 2422 O ALA B 40 -3.225 16.318 11.601 1.00 2.18 O ATOM 2423 CB ALA B 40 -1.964 14.357 13.869 1.00 2.02 C ATOM 2424 H ALA B 40 0.339 15.415 13.834 1.00 1.79 H ATOM 2425 HA ALA B 40 -1.411 14.535 11.825 1.00 1.92 H ATOM 2426 HB1 ALA B 40 -2.950 13.989 13.632 1.00 2.32 H ATOM 2427 HB2 ALA B 40 -2.015 14.983 14.747 1.00 2.27 H ATOM 2428 HB3 ALA B 40 -1.305 13.522 14.060 1.00 2.34 H ATOM 2429 N GLU B 41 -2.028 17.448 13.132 1.00 1.74 N ATOM 2430 CA GLU B 41 -2.706 18.712 12.934 1.00 1.83 C ATOM 2431 C GLU B 41 -1.763 19.667 12.218 1.00 1.60 C ATOM 2432 O GLU B 41 -0.719 20.034 12.759 1.00 1.50 O ATOM 2433 CB GLU B 41 -3.113 19.283 14.290 1.00 2.02 C ATOM 2434 CG GLU B 41 -3.927 18.309 15.124 1.00 2.44 C ATOM 2435 CD GLU B 41 -3.987 18.694 16.582 1.00 3.03 C ATOM 2436 OE1 GLU B 41 -5.042 19.190 17.029 1.00 3.59 O ATOM 2437 OE2 GLU B 41 -2.974 18.503 17.289 1.00 3.45 O1+ ATOM 2438 H GLU B 41 -1.321 17.394 13.807 1.00 1.61 H ATOM 2439 HA GLU B 41 -3.584 18.544 12.327 1.00 2.08 H ATOM 2440 HB2 GLU B 41 -2.220 19.541 14.842 1.00 1.94 H ATOM 2441 HB3 GLU B 41 -3.702 20.173 14.134 1.00 2.23 H ATOM 2442 HG2 GLU B 41 -4.933 18.284 14.738 1.00 2.58 H ATOM 2443 HG3 GLU B 41 -3.485 17.327 15.041 1.00 2.72 H ATOM 2444 N VAL B 42 -2.115 20.058 11.006 1.00 1.66 N ATOM 2445 CA VAL B 42 -1.235 20.886 10.199 1.00 1.60 C ATOM 2446 C VAL B 42 -1.655 22.348 10.260 1.00 1.49 C ATOM 2447 O VAL B 42 -2.845 22.663 10.263 1.00 1.70 O ATOM 2448 CB VAL B 42 -1.195 20.419 8.726 1.00 2.04 C ATOM 2449 CG1 VAL B 42 -0.760 18.969 8.637 1.00 2.39 C ATOM 2450 CG2 VAL B 42 -2.538 20.611 8.045 1.00 2.19 C ATOM 2451 H VAL B 42 -2.991 19.793 10.650 1.00 1.86 H ATOM 2452 HA VAL B 42 -0.238 20.798 10.607 1.00 1.58 H ATOM 2453 HB VAL B 42 -0.468 21.017 8.200 1.00 2.20 H ATOM 2454 HG11 VAL B 42 0.224 18.861 9.065 1.00 2.60 H ATOM 2455 HG12 VAL B 42 -0.739 18.663 7.601 1.00 2.60 H ATOM 2456 HG13 VAL B 42 -1.460 18.350 9.180 1.00 2.85 H ATOM 2457 HG21 VAL B 42 -2.822 21.652 8.096 1.00 2.45 H ATOM 2458 HG22 VAL B 42 -3.284 20.009 8.543 1.00 2.54 H ATOM 2459 HG23 VAL B 42 -2.463 20.307 7.012 1.00 2.40 H ATOM 2460 N ASN B 43 -0.675 23.232 10.324 1.00 1.51 N ATOM 2461 CA ASN B 43 -0.940 24.662 10.349 1.00 1.72 C ATOM 2462 C ASN B 43 -0.443 25.304 9.066 1.00 1.79 C ATOM 2463 O ASN B 43 0.748 25.574 8.917 1.00 2.11 O ATOM 2464 CB ASN B 43 -0.258 25.323 11.553 1.00 2.20 C ATOM 2465 CG ASN B 43 -0.730 24.767 12.885 1.00 2.55 C ATOM 2466 OD1 ASN B 43 -1.703 25.253 13.464 1.00 3.25 O ATOM 2467 ND2 ASN B 43 -0.035 23.754 13.385 1.00 2.50 N ATOM 2468 H ASN B 43 0.255 22.918 10.355 1.00 1.62 H ATOM 2469 HA ASN B 43 -2.009 24.803 10.420 1.00 1.75 H ATOM 2470 HB2 ASN B 43 0.809 25.172 11.481 1.00 2.51 H ATOM 2471 HB3 ASN B 43 -0.464 26.385 11.534 1.00 2.57 H ATOM 2472 HD21 ASN B 43 0.737 23.423 12.875 1.00 2.28 H ATOM 2473 HD22 ASN B 43 -0.319 23.375 14.245 1.00 2.95 H ATOM 2474 N ILE B 44 -1.352 25.539 8.135 1.00 1.73 N ATOM 2475 CA ILE B 44 -0.995 26.181 6.883 1.00 1.97 C ATOM 2476 C ILE B 44 -1.484 27.625 6.889 1.00 2.17 C ATOM 2477 O ILE B 44 -2.598 27.910 6.454 1.00 2.77 O ATOM 2478 CB ILE B 44 -1.587 25.436 5.663 1.00 2.06 C ATOM 2479 CG1 ILE B 44 -1.206 23.950 5.704 1.00 2.19 C ATOM 2480 CG2 ILE B 44 -1.099 26.072 4.366 1.00 2.54 C ATOM 2481 CD1 ILE B 44 -1.846 23.126 4.603 1.00 2.51 C ATOM 2482 H ILE B 44 -2.289 25.275 8.291 1.00 1.71 H ATOM 2483 HA ILE B 44 0.083 26.177 6.800 1.00 2.23 H ATOM 2484 HB ILE B 44 -2.661 25.527 5.699 1.00 1.99 H ATOM 2485 HG12 ILE B 44 -0.134 23.858 5.605 1.00 2.51 H ATOM 2486 HG13 ILE B 44 -1.513 23.534 6.653 1.00 2.16 H ATOM 2487 HG21 ILE B 44 -0.024 25.986 4.306 1.00 2.80 H ATOM 2488 HG22 ILE B 44 -1.378 27.115 4.350 1.00 2.98 H ATOM 2489 HG23 ILE B 44 -1.548 25.566 3.525 1.00 2.77 H ATOM 2490 HD11 ILE B 44 -2.920 23.220 4.659 1.00 2.71 H ATOM 2491 HD12 ILE B 44 -1.571 22.088 4.723 1.00 2.77 H ATOM 2492 HD13 ILE B 44 -1.504 23.479 3.641 1.00 2.95 H ATOM 2493 N ASN B 45 -0.647 28.516 7.423 1.00 2.27 N ATOM 2494 CA ASN B 45 -0.955 29.950 7.515 1.00 2.64 C ATOM 2495 C ASN B 45 -2.110 30.199 8.479 1.00 2.80 C ATOM 2496 O ASN B 45 -1.900 30.595 9.626 1.00 3.41 O ATOM 2497 CB ASN B 45 -1.272 30.555 6.136 1.00 2.92 C ATOM 2498 CG ASN B 45 -0.044 30.754 5.260 1.00 3.28 C ATOM 2499 OD1 ASN B 45 -0.006 31.659 4.426 1.00 3.84 O ATOM 2500 ND2 ASN B 45 0.967 29.917 5.430 1.00 3.42 N ATOM 2501 H ASN B 45 0.205 28.196 7.788 1.00 2.51 H ATOM 2502 HA ASN B 45 -0.075 30.439 7.914 1.00 2.89 H ATOM 2503 HB2 ASN B 45 -1.953 29.898 5.614 1.00 2.97 H ATOM 2504 HB3 ASN B 45 -1.751 31.515 6.275 1.00 3.30 H ATOM 2505 HD21 ASN B 45 0.879 29.213 6.106 1.00 3.30 H ATOM 2506 HD22 ASN B 45 1.766 30.034 4.873 1.00 3.91 H ATOM 2507 N ASN B 46 -3.324 29.948 8.020 1.00 2.74 N ATOM 2508 CA ASN B 46 -4.511 30.141 8.840 1.00 3.13 C ATOM 2509 C ASN B 46 -5.437 28.935 8.737 1.00 2.91 C ATOM 2510 O ASN B 46 -6.506 28.913 9.341 1.00 3.25 O ATOM 2511 CB ASN B 46 -5.264 31.413 8.424 1.00 3.69 C ATOM 2512 CG ASN B 46 -5.746 31.370 6.984 1.00 4.22 C ATOM 2513 OD1 ASN B 46 -5.021 31.751 6.066 1.00 4.58 O ATOM 2514 ND2 ASN B 46 -6.971 30.914 6.774 1.00 4.76 N ATOM 2515 H ASN B 46 -3.426 29.615 7.099 1.00 2.81 H ATOM 2516 HA ASN B 46 -4.188 30.242 9.866 1.00 3.37 H ATOM 2517 HB2 ASN B 46 -6.124 31.536 9.065 1.00 3.82 H ATOM 2518 HB3 ASN B 46 -4.611 32.266 8.542 1.00 4.01 H ATOM 2519 HD21 ASN B 46 -7.503 30.630 7.550 1.00 4.83 H ATOM 2520 HD22 ASN B 46 -7.301 30.878 5.849 1.00 5.31 H ATOM 2521 N SER B 47 -5.023 27.935 7.974 1.00 2.52 N ATOM 2522 CA SER B 47 -5.844 26.756 7.762 1.00 2.41 C ATOM 2523 C SER B 47 -5.268 25.566 8.521 1.00 1.94 C ATOM 2524 O SER B 47 -4.152 25.119 8.247 1.00 1.87 O ATOM 2525 CB SER B 47 -5.938 26.455 6.265 1.00 2.80 C ATOM 2526 OG SER B 47 -6.349 27.608 5.545 1.00 3.33 O ATOM 2527 H SER B 47 -4.138 27.983 7.549 1.00 2.47 H ATOM 2528 HA SER B 47 -6.832 26.969 8.145 1.00 2.57 H ATOM 2529 HB2 SER B 47 -4.973 26.140 5.899 1.00 3.09 H ATOM 2530 HB3 SER B 47 -6.659 25.667 6.101 1.00 2.91 H ATOM 2531 HG SER B 47 -7.164 27.950 5.933 1.00 3.54 H ATOM 2532 N VAL B 48 -6.024 25.080 9.495 1.00 1.89 N ATOM 2533 CA VAL B 48 -5.600 23.956 10.311 1.00 1.72 C ATOM 2534 C VAL B 48 -6.538 22.771 10.101 1.00 1.77 C ATOM 2535 O VAL B 48 -7.754 22.900 10.249 1.00 2.07 O ATOM 2536 CB VAL B 48 -5.587 24.327 11.812 1.00 2.05 C ATOM 2537 CG1 VAL B 48 -5.017 23.194 12.650 1.00 2.38 C ATOM 2538 CG2 VAL B 48 -4.809 25.612 12.045 1.00 2.33 C ATOM 2539 H VAL B 48 -6.898 25.489 9.670 1.00 2.16 H ATOM 2540 HA VAL B 48 -4.600 23.676 10.014 1.00 1.67 H ATOM 2541 HB VAL B 48 -6.607 24.491 12.127 1.00 2.20 H ATOM 2542 HG11 VAL B 48 -5.055 23.463 13.695 1.00 2.78 H ATOM 2543 HG12 VAL B 48 -3.990 23.014 12.363 1.00 2.71 H ATOM 2544 HG13 VAL B 48 -5.596 22.298 12.487 1.00 2.57 H ATOM 2545 HG21 VAL B 48 -3.788 25.478 11.722 1.00 2.57 H ATOM 2546 HG22 VAL B 48 -4.824 25.854 13.097 1.00 2.62 H ATOM 2547 HG23 VAL B 48 -5.263 26.415 11.483 1.00 2.68 H ATOM 2548 N PHE B 49 -5.978 21.625 9.741 1.00 1.72 N ATOM 2549 CA PHE B 49 -6.771 20.415 9.588 1.00 1.96 C ATOM 2550 C PHE B 49 -5.960 19.197 10.009 1.00 1.69 C ATOM 2551 O PHE B 49 -4.737 19.276 10.163 1.00 1.90 O ATOM 2552 CB PHE B 49 -7.291 20.259 8.144 1.00 2.53 C ATOM 2553 CG PHE B 49 -6.232 20.026 7.096 1.00 2.78 C ATOM 2554 CD1 PHE B 49 -5.708 21.084 6.368 1.00 2.80 C ATOM 2555 CD2 PHE B 49 -5.780 18.742 6.824 1.00 3.40 C ATOM 2556 CE1 PHE B 49 -4.751 20.864 5.393 1.00 3.32 C ATOM 2557 CE2 PHE B 49 -4.824 18.518 5.853 1.00 4.13 C ATOM 2558 CZ PHE B 49 -4.309 19.580 5.136 1.00 4.05 C ATOM 2559 H PHE B 49 -5.009 21.589 9.589 1.00 1.71 H ATOM 2560 HA PHE B 49 -7.617 20.501 10.253 1.00 2.26 H ATOM 2561 HB2 PHE B 49 -7.969 19.419 8.106 1.00 2.96 H ATOM 2562 HB3 PHE B 49 -7.832 21.155 7.869 1.00 2.91 H ATOM 2563 HD1 PHE B 49 -6.049 22.091 6.571 1.00 2.66 H ATOM 2564 HD2 PHE B 49 -6.181 17.911 7.384 1.00 3.50 H ATOM 2565 HE1 PHE B 49 -4.349 21.693 4.831 1.00 3.36 H ATOM 2566 HE2 PHE B 49 -4.480 17.514 5.654 1.00 4.84 H ATOM 2567 HZ PHE B 49 -3.564 19.406 4.375 1.00 4.69 H ATOM 2568 N ARG B 50 -6.646 18.080 10.209 1.00 1.63 N ATOM 2569 CA ARG B 50 -6.002 16.863 10.671 1.00 1.49 C ATOM 2570 C ARG B 50 -5.872 15.850 9.549 1.00 1.50 C ATOM 2571 O ARG B 50 -6.805 15.644 8.770 1.00 1.83 O ATOM 2572 CB ARG B 50 -6.775 16.262 11.845 1.00 1.73 C ATOM 2573 CG ARG B 50 -6.641 17.073 13.117 1.00 2.22 C ATOM 2574 CD ARG B 50 -7.364 16.437 14.288 1.00 2.77 C ATOM 2575 NE ARG B 50 -7.037 17.107 15.545 1.00 3.36 N ATOM 2576 CZ ARG B 50 -7.395 16.665 16.745 1.00 4.00 C ATOM 2577 NH1 ARG B 50 -8.156 15.582 16.859 1.00 4.08 N1+ ATOM 2578 NH2 ARG B 50 -6.991 17.310 17.835 1.00 4.84 N ATOM 2579 H ARG B 50 -7.610 18.071 10.032 1.00 1.93 H ATOM 2580 HA ARG B 50 -5.008 17.126 11.006 1.00 1.71 H ATOM 2581 HB2 ARG B 50 -7.822 16.207 11.585 1.00 2.01 H ATOM 2582 HB3 ARG B 50 -6.407 15.266 12.037 1.00 2.27 H ATOM 2583 HG2 ARG B 50 -5.595 17.154 13.363 1.00 2.66 H ATOM 2584 HG3 ARG B 50 -7.047 18.058 12.947 1.00 2.50 H ATOM 2585 HD2 ARG B 50 -8.430 16.506 14.119 1.00 3.12 H ATOM 2586 HD3 ARG B 50 -7.076 15.398 14.355 1.00 2.96 H ATOM 2587 HE ARG B 50 -6.495 17.927 15.487 1.00 3.57 H ATOM 2588 HH11 ARG B 50 -8.463 15.093 16.040 1.00 3.80 H ATOM 2589 HH12 ARG B 50 -8.427 15.253 17.767 1.00 4.65 H ATOM 2590 HH21 ARG B 50 -6.410 18.133 17.750 1.00 5.09 H ATOM 2591 HH22 ARG B 50 -7.255 16.982 18.746 1.00 5.38 H ATOM 2592 N GLN B 51 -4.712 15.223 9.472 1.00 1.65 N ATOM 2593 CA GLN B 51 -4.446 14.234 8.447 1.00 2.04 C ATOM 2594 C GLN B 51 -4.352 12.846 9.079 1.00 1.81 C ATOM 2595 O GLN B 51 -3.883 12.703 10.209 1.00 2.52 O ATOM 2596 CB GLN B 51 -3.154 14.585 7.693 1.00 2.80 C ATOM 2597 CG GLN B 51 -1.868 14.223 8.428 1.00 3.27 C ATOM 2598 CD GLN B 51 -0.631 14.771 7.739 1.00 3.85 C ATOM 2599 OE1 GLN B 51 -0.104 14.168 6.804 1.00 4.12 O ATOM 2600 NE2 GLN B 51 -0.133 15.894 8.221 1.00 4.56 N ATOM 2601 H GLN B 51 -4.013 15.426 10.138 1.00 1.81 H ATOM 2602 HA GLN B 51 -5.276 14.249 7.754 1.00 2.22 H ATOM 2603 HB2 GLN B 51 -3.155 14.062 6.748 1.00 3.23 H ATOM 2604 HB3 GLN B 51 -3.144 15.647 7.501 1.00 3.14 H ATOM 2605 HG2 GLN B 51 -1.913 14.627 9.428 1.00 3.47 H ATOM 2606 HG3 GLN B 51 -1.787 13.146 8.479 1.00 3.61 H ATOM 2607 HE21 GLN B 51 -0.584 16.310 8.995 1.00 4.69 H ATOM 2608 HE22 GLN B 51 0.675 16.265 7.806 1.00 5.18 H ATOM 2609 N TYR B 52 -4.810 11.831 8.361 1.00 1.37 N ATOM 2610 CA TYR B 52 -4.807 10.472 8.886 1.00 1.19 C ATOM 2611 C TYR B 52 -3.949 9.568 8.011 1.00 1.14 C ATOM 2612 O TYR B 52 -3.752 9.847 6.824 1.00 1.39 O ATOM 2613 CB TYR B 52 -6.235 9.921 8.968 1.00 1.33 C ATOM 2614 CG TYR B 52 -7.212 10.856 9.647 1.00 1.36 C ATOM 2615 CD1 TYR B 52 -7.040 11.239 10.971 1.00 1.62 C ATOM 2616 CD2 TYR B 52 -8.311 11.354 8.958 1.00 1.98 C ATOM 2617 CE1 TYR B 52 -7.936 12.091 11.588 1.00 1.89 C ATOM 2618 CE2 TYR B 52 -9.209 12.206 9.568 1.00 2.26 C ATOM 2619 CZ TYR B 52 -9.017 12.572 10.883 1.00 2.00 C ATOM 2620 OH TYR B 52 -9.916 13.413 11.498 1.00 2.45 O ATOM 2621 H TYR B 52 -5.155 11.993 7.459 1.00 1.70 H ATOM 2622 HA TYR B 52 -4.380 10.502 9.879 1.00 1.17 H ATOM 2623 HB2 TYR B 52 -6.600 9.731 7.970 1.00 1.57 H ATOM 2624 HB3 TYR B 52 -6.225 8.992 9.522 1.00 1.51 H ATOM 2625 HD1 TYR B 52 -6.192 10.865 11.523 1.00 2.08 H ATOM 2626 HD2 TYR B 52 -8.458 11.066 7.928 1.00 2.55 H ATOM 2627 HE1 TYR B 52 -7.785 12.378 12.617 1.00 2.43 H ATOM 2628 HE2 TYR B 52 -10.056 12.584 9.015 1.00 2.96 H ATOM 2629 HH TYR B 52 -10.812 13.099 11.315 1.00 2.76 H ATOM 2630 N PHE B 53 -3.427 8.503 8.602 1.00 0.94 N ATOM 2631 CA PHE B 53 -2.582 7.565 7.880 1.00 0.91 C ATOM 2632 C PHE B 53 -3.172 6.165 7.921 1.00 0.91 C ATOM 2633 O PHE B 53 -3.490 5.652 8.988 1.00 0.94 O ATOM 2634 CB PHE B 53 -1.174 7.549 8.484 1.00 0.87 C ATOM 2635 CG PHE B 53 -0.548 8.908 8.534 1.00 0.93 C ATOM 2636 CD1 PHE B 53 0.049 9.446 7.408 1.00 1.02 C ATOM 2637 CD2 PHE B 53 -0.565 9.651 9.701 1.00 1.00 C ATOM 2638 CE1 PHE B 53 0.618 10.702 7.444 1.00 1.13 C ATOM 2639 CE2 PHE B 53 0.003 10.907 9.744 1.00 1.12 C ATOM 2640 CZ PHE B 53 0.595 11.432 8.614 1.00 1.16 C ATOM 2641 H PHE B 53 -3.603 8.351 9.559 1.00 0.92 H ATOM 2642 HA PHE B 53 -2.524 7.890 6.853 1.00 0.97 H ATOM 2643 HB2 PHE B 53 -1.226 7.169 9.494 1.00 0.85 H ATOM 2644 HB3 PHE B 53 -0.538 6.907 7.892 1.00 0.89 H ATOM 2645 HD1 PHE B 53 0.065 8.874 6.494 1.00 1.05 H ATOM 2646 HD2 PHE B 53 -1.028 9.239 10.586 1.00 1.02 H ATOM 2647 HE1 PHE B 53 1.079 11.110 6.558 1.00 1.23 H ATOM 2648 HE2 PHE B 53 -0.016 11.477 10.661 1.00 1.22 H ATOM 2649 HZ PHE B 53 1.037 12.417 8.644 1.00 1.28 H ATOM 2650 N PHE B 54 -3.320 5.559 6.759 1.00 0.96 N ATOM 2651 CA PHE B 54 -3.833 4.203 6.662 1.00 1.00 C ATOM 2652 C PHE B 54 -2.703 3.193 6.850 1.00 0.95 C ATOM 2653 O PHE B 54 -1.885 2.979 5.958 1.00 1.03 O ATOM 2654 CB PHE B 54 -4.546 3.993 5.315 1.00 1.13 C ATOM 2655 CG PHE B 54 -3.776 4.499 4.121 1.00 1.57 C ATOM 2656 CD1 PHE B 54 -2.999 3.639 3.359 1.00 2.13 C ATOM 2657 CD2 PHE B 54 -3.831 5.838 3.763 1.00 2.47 C ATOM 2658 CE1 PHE B 54 -2.291 4.105 2.270 1.00 3.04 C ATOM 2659 CE2 PHE B 54 -3.125 6.309 2.675 1.00 3.41 C ATOM 2660 CZ PHE B 54 -2.354 5.442 1.928 1.00 3.56 C ATOM 2661 H PHE B 54 -3.071 6.031 5.941 1.00 1.01 H ATOM 2662 HA PHE B 54 -4.550 4.070 7.462 1.00 1.03 H ATOM 2663 HB2 PHE B 54 -4.723 2.939 5.170 1.00 1.61 H ATOM 2664 HB3 PHE B 54 -5.497 4.508 5.339 1.00 1.49 H ATOM 2665 HD1 PHE B 54 -2.948 2.594 3.626 1.00 2.38 H ATOM 2666 HD2 PHE B 54 -4.433 6.519 4.348 1.00 2.81 H ATOM 2667 HE1 PHE B 54 -1.689 3.423 1.687 1.00 3.66 H ATOM 2668 HE2 PHE B 54 -3.177 7.355 2.409 1.00 4.27 H ATOM 2669 HZ PHE B 54 -1.803 5.810 1.076 1.00 4.41 H ATOM 2670 N GLU B 55 -2.644 2.596 8.029 1.00 0.89 N ATOM 2671 CA GLU B 55 -1.625 1.603 8.320 1.00 0.88 C ATOM 2672 C GLU B 55 -2.242 0.216 8.378 1.00 0.92 C ATOM 2673 O GLU B 55 -3.053 -0.077 9.256 1.00 1.11 O ATOM 2674 CB GLU B 55 -0.911 1.913 9.642 1.00 0.89 C ATOM 2675 CG GLU B 55 -0.306 3.311 9.708 1.00 0.91 C ATOM 2676 CD GLU B 55 0.690 3.460 10.838 1.00 0.90 C ATOM 2677 OE1 GLU B 55 1.899 3.254 10.604 1.00 1.42 O ATOM 2678 OE2 GLU B 55 0.281 3.797 11.961 1.00 1.49 O1+ ATOM 2679 H GLU B 55 -3.307 2.823 8.720 1.00 0.89 H ATOM 2680 HA GLU B 55 -0.903 1.624 7.515 1.00 0.91 H ATOM 2681 HB2 GLU B 55 -1.622 1.813 10.451 1.00 1.03 H ATOM 2682 HB3 GLU B 55 -0.118 1.193 9.786 1.00 1.00 H ATOM 2683 HG2 GLU B 55 0.197 3.521 8.775 1.00 1.09 H ATOM 2684 HG3 GLU B 55 -1.104 4.028 9.855 1.00 1.12 H ATOM 2685 N THR B 56 -1.873 -0.624 7.427 1.00 0.87 N ATOM 2686 CA THR B 56 -2.333 -1.999 7.406 1.00 0.93 C ATOM 2687 C THR B 56 -1.278 -2.898 8.030 1.00 0.97 C ATOM 2688 O THR B 56 -0.258 -3.203 7.411 1.00 1.03 O ATOM 2689 CB THR B 56 -2.639 -2.475 5.973 1.00 0.99 C ATOM 2690 OG1 THR B 56 -3.559 -1.572 5.342 1.00 1.05 O ATOM 2691 CG2 THR B 56 -3.230 -3.877 5.981 1.00 1.07 C ATOM 2692 H THR B 56 -1.259 -0.311 6.726 1.00 0.89 H ATOM 2693 HA THR B 56 -3.237 -2.059 7.991 1.00 0.98 H ATOM 2694 HB THR B 56 -1.716 -2.491 5.410 1.00 0.98 H ATOM 2695 HG1 THR B 56 -3.095 -1.083 4.649 1.00 1.21 H ATOM 2696 HG21 THR B 56 -3.436 -4.188 4.967 1.00 1.53 H ATOM 2697 HG22 THR B 56 -4.147 -3.879 6.551 1.00 1.57 H ATOM 2698 HG23 THR B 56 -2.525 -4.561 6.431 1.00 1.36 H ATOM 2699 N LYS B 57 -1.528 -3.312 9.259 1.00 1.05 N ATOM 2700 CA LYS B 57 -0.559 -4.070 10.024 1.00 1.16 C ATOM 2701 C LYS B 57 -0.930 -5.545 10.055 1.00 1.24 C ATOM 2702 O LYS B 57 -2.102 -5.908 9.913 1.00 1.30 O ATOM 2703 CB LYS B 57 -0.469 -3.513 11.448 1.00 1.29 C ATOM 2704 CG LYS B 57 -0.050 -2.050 11.498 1.00 1.54 C ATOM 2705 CD LYS B 57 0.000 -1.523 12.922 1.00 1.65 C ATOM 2706 CE LYS B 57 1.120 -2.162 13.722 1.00 1.90 C ATOM 2707 NZ LYS B 57 1.151 -1.666 15.124 1.00 2.48 N1+ ATOM 2708 H LYS B 57 -2.403 -3.106 9.662 1.00 1.10 H ATOM 2709 HA LYS B 57 0.402 -3.963 9.542 1.00 1.17 H ATOM 2710 HB2 LYS B 57 -1.439 -3.606 11.919 1.00 1.47 H ATOM 2711 HB3 LYS B 57 0.250 -4.092 12.006 1.00 1.54 H ATOM 2712 HG2 LYS B 57 0.928 -1.955 11.059 1.00 1.83 H ATOM 2713 HG3 LYS B 57 -0.759 -1.464 10.932 1.00 1.78 H ATOM 2714 HD2 LYS B 57 0.159 -0.457 12.895 1.00 1.84 H ATOM 2715 HD3 LYS B 57 -0.941 -1.737 13.405 1.00 1.93 H ATOM 2716 HE2 LYS B 57 0.974 -3.231 13.730 1.00 2.26 H ATOM 2717 HE3 LYS B 57 2.062 -1.930 13.246 1.00 2.25 H ATOM 2718 HZ1 LYS B 57 0.261 -1.903 15.606 1.00 2.92 H ATOM 2719 HZ2 LYS B 57 1.273 -0.636 15.136 1.00 2.73 H ATOM 2720 HZ3 LYS B 57 1.939 -2.102 15.642 1.00 2.93 H ATOM 2721 N CYS B 58 0.074 -6.384 10.232 1.00 1.32 N ATOM 2722 CA CYS B 58 -0.124 -7.825 10.266 1.00 1.44 C ATOM 2723 C CYS B 58 -0.618 -8.271 11.634 1.00 1.57 C ATOM 2724 O CYS B 58 0.116 -8.213 12.619 1.00 1.73 O ATOM 2725 CB CYS B 58 1.183 -8.554 9.927 1.00 1.57 C ATOM 2726 SG CYS B 58 1.844 -8.173 8.273 1.00 1.71 S ATOM 2727 H CYS B 58 0.980 -6.024 10.349 1.00 1.36 H ATOM 2728 HA CYS B 58 -0.869 -8.073 9.524 1.00 1.41 H ATOM 2729 HB2 CYS B 58 1.936 -8.283 10.651 1.00 1.75 H ATOM 2730 HB3 CYS B 58 1.016 -9.620 9.978 1.00 1.77 H ATOM 2731 N ARG B 59 -1.867 -8.707 11.695 1.00 1.60 N ATOM 2732 CA ARG B 59 -2.416 -9.263 12.924 1.00 1.78 C ATOM 2733 C ARG B 59 -2.386 -10.785 12.842 1.00 1.90 C ATOM 2734 O ARG B 59 -3.067 -11.484 13.593 1.00 2.31 O ATOM 2735 CB ARG B 59 -3.841 -8.755 13.175 1.00 1.88 C ATOM 2736 CG ARG B 59 -4.825 -9.087 12.070 1.00 1.84 C ATOM 2737 CD ARG B 59 -6.232 -8.631 12.418 1.00 1.95 C ATOM 2738 NE ARG B 59 -6.752 -9.298 13.610 1.00 2.39 N ATOM 2739 CZ ARG B 59 -7.926 -9.010 14.173 1.00 2.75 C ATOM 2740 NH1 ARG B 59 -8.709 -8.074 13.649 1.00 2.69 N1+ ATOM 2741 NH2 ARG B 59 -8.318 -9.666 15.255 1.00 3.49 N ATOM 2742 H ARG B 59 -2.430 -8.662 10.893 1.00 1.56 H ATOM 2743 HA ARG B 59 -1.780 -8.949 13.739 1.00 1.86 H ATOM 2744 HB2 ARG B 59 -4.209 -9.189 14.092 1.00 2.22 H ATOM 2745 HB3 ARG B 59 -3.811 -7.682 13.285 1.00 2.21 H ATOM 2746 HG2 ARG B 59 -4.513 -8.589 11.165 1.00 2.07 H ATOM 2747 HG3 ARG B 59 -4.828 -10.155 11.912 1.00 2.08 H ATOM 2748 HD2 ARG B 59 -6.217 -7.569 12.593 1.00 2.05 H ATOM 2749 HD3 ARG B 59 -6.883 -8.847 11.583 1.00 2.23 H ATOM 2750 HE ARG B 59 -6.196 -10.003 14.009 1.00 2.71 H ATOM 2751 HH11 ARG B 59 -8.422 -7.578 12.824 1.00 2.48 H ATOM 2752 HH12 ARG B 59 -9.593 -7.860 14.072 1.00 3.10 H ATOM 2753 HH21 ARG B 59 -7.735 -10.380 15.652 1.00 3.82 H ATOM 2754 HH22 ARG B 59 -9.204 -9.457 15.682 1.00 3.85 H ATOM 2755 N ALA B 60 -1.583 -11.274 11.908 1.00 2.07 N ATOM 2756 CA ALA B 60 -1.398 -12.698 11.680 1.00 2.24 C ATOM 2757 C ALA B 60 -0.192 -12.896 10.773 1.00 2.12 C ATOM 2758 O ALA B 60 0.376 -11.920 10.280 1.00 2.38 O ATOM 2759 CB ALA B 60 -2.643 -13.310 11.048 1.00 2.58 C ATOM 2760 H ALA B 60 -1.080 -10.647 11.346 1.00 2.39 H ATOM 2761 HA ALA B 60 -1.217 -13.176 12.632 1.00 2.37 H ATOM 2762 HB1 ALA B 60 -2.492 -14.371 10.910 1.00 2.87 H ATOM 2763 HB2 ALA B 60 -2.825 -12.845 10.090 1.00 2.75 H ATOM 2764 HB3 ALA B 60 -3.493 -13.149 11.695 1.00 2.96 H ATOM 2765 N SER B 61 0.204 -14.140 10.570 1.00 2.10 N ATOM 2766 CA SER B 61 1.320 -14.448 9.688 1.00 2.06 C ATOM 2767 C SER B 61 1.121 -15.810 9.032 1.00 2.12 C ATOM 2768 O SER B 61 1.564 -16.043 7.909 1.00 2.76 O ATOM 2769 CB SER B 61 2.640 -14.415 10.462 1.00 2.13 C ATOM 2770 OG SER B 61 3.749 -14.598 9.595 1.00 2.62 O ATOM 2771 H SER B 61 -0.265 -14.871 11.024 1.00 2.34 H ATOM 2772 HA SER B 61 1.345 -13.694 8.916 1.00 2.10 H ATOM 2773 HB2 SER B 61 2.740 -13.459 10.955 1.00 2.35 H ATOM 2774 HB3 SER B 61 2.641 -15.203 11.199 1.00 2.34 H ATOM 2775 HG SER B 61 3.814 -15.531 9.362 1.00 3.01 H ATOM 2776 N ASN B 62 0.463 -16.710 9.747 1.00 1.95 N ATOM 2777 CA ASN B 62 0.147 -18.030 9.223 1.00 1.94 C ATOM 2778 C ASN B 62 -1.254 -18.419 9.680 1.00 1.99 C ATOM 2779 O ASN B 62 -1.409 -19.216 10.606 1.00 2.15 O ATOM 2780 CB ASN B 62 1.170 -19.073 9.697 1.00 2.11 C ATOM 2781 CG ASN B 62 2.595 -18.711 9.314 1.00 2.28 C ATOM 2782 OD1 ASN B 62 3.324 -18.099 10.096 1.00 2.59 O ATOM 2783 ND2 ASN B 62 2.998 -19.060 8.102 1.00 2.36 N ATOM 2784 H ASN B 62 0.175 -16.482 10.656 1.00 2.23 H ATOM 2785 HA ASN B 62 0.166 -17.975 8.144 1.00 1.94 H ATOM 2786 HB2 ASN B 62 1.119 -19.157 10.773 1.00 2.23 H ATOM 2787 HB3 ASN B 62 0.930 -20.031 9.255 1.00 2.19 H ATOM 2788 HD21 ASN B 62 2.366 -19.530 7.522 1.00 2.37 H ATOM 2789 HD22 ASN B 62 3.911 -18.825 7.828 1.00 2.57 H ATOM 2790 N PRO B 63 -2.292 -17.846 9.036 1.00 2.07 N ATOM 2791 CA PRO B 63 -3.691 -17.979 9.472 1.00 2.32 C ATOM 2792 C PRO B 63 -4.127 -19.424 9.702 1.00 2.28 C ATOM 2793 O PRO B 63 -4.810 -19.722 10.681 1.00 2.57 O ATOM 2794 CB PRO B 63 -4.505 -17.361 8.320 1.00 2.52 C ATOM 2795 CG PRO B 63 -3.541 -17.188 7.192 1.00 2.43 C ATOM 2796 CD PRO B 63 -2.187 -17.018 7.823 1.00 2.18 C ATOM 2797 HA PRO B 63 -3.868 -17.414 10.376 1.00 2.58 H ATOM 2798 HB2 PRO B 63 -5.310 -18.031 8.048 1.00 2.60 H ATOM 2799 HB3 PRO B 63 -4.915 -16.411 8.637 1.00 2.81 H ATOM 2800 HG2 PRO B 63 -3.557 -18.067 6.562 1.00 2.45 H ATOM 2801 HG3 PRO B 63 -3.803 -16.311 6.618 1.00 2.71 H ATOM 2802 HD2 PRO B 63 -1.410 -17.387 7.163 1.00 2.17 H ATOM 2803 HD3 PRO B 63 -2.011 -15.980 8.078 1.00 2.30 H ATOM 2804 N VAL B 64 -3.730 -20.318 8.809 1.00 2.06 N ATOM 2805 CA VAL B 64 -4.156 -21.706 8.907 1.00 2.15 C ATOM 2806 C VAL B 64 -3.273 -22.505 9.862 1.00 2.32 C ATOM 2807 O VAL B 64 -3.769 -23.081 10.833 1.00 2.53 O ATOM 2808 CB VAL B 64 -4.215 -22.399 7.527 1.00 2.02 C ATOM 2809 CG1 VAL B 64 -5.435 -21.933 6.752 1.00 2.08 C ATOM 2810 CG2 VAL B 64 -2.956 -22.138 6.717 1.00 1.93 C ATOM 2811 H VAL B 64 -3.137 -20.042 8.084 1.00 1.95 H ATOM 2812 HA VAL B 64 -5.159 -21.699 9.311 1.00 2.40 H ATOM 2813 HB VAL B 64 -4.299 -23.463 7.685 1.00 2.13 H ATOM 2814 HG11 VAL B 64 -6.326 -22.138 7.326 1.00 2.36 H ATOM 2815 HG12 VAL B 64 -5.485 -22.461 5.813 1.00 2.32 H ATOM 2816 HG13 VAL B 64 -5.361 -20.870 6.568 1.00 2.32 H ATOM 2817 HG21 VAL B 64 -2.098 -22.525 7.247 1.00 2.25 H ATOM 2818 HG22 VAL B 64 -2.838 -21.076 6.567 1.00 2.12 H ATOM 2819 HG23 VAL B 64 -3.039 -22.629 5.758 1.00 2.16 H ATOM 2820 N GLU B 65 -1.969 -22.518 9.607 1.00 2.45 N ATOM 2821 CA GLU B 65 -1.042 -23.298 10.420 1.00 2.81 C ATOM 2822 C GLU B 65 0.416 -22.937 10.121 1.00 3.04 C ATOM 2823 O GLU B 65 1.102 -22.368 10.968 1.00 3.58 O ATOM 2824 CB GLU B 65 -1.290 -24.805 10.226 1.00 3.02 C ATOM 2825 CG GLU B 65 -1.417 -25.240 8.773 1.00 3.42 C ATOM 2826 CD GLU B 65 -1.808 -26.692 8.625 1.00 3.80 C ATOM 2827 OE1 GLU B 65 -0.914 -27.559 8.694 1.00 4.18 O ATOM 2828 OE2 GLU B 65 -3.009 -26.971 8.433 1.00 4.20 O1+ ATOM 2829 H GLU B 65 -1.623 -21.980 8.868 1.00 2.41 H ATOM 2830 HA GLU B 65 -1.243 -23.050 11.452 1.00 2.98 H ATOM 2831 HB2 GLU B 65 -0.466 -25.346 10.664 1.00 3.22 H ATOM 2832 HB3 GLU B 65 -2.198 -25.076 10.742 1.00 3.18 H ATOM 2833 HG2 GLU B 65 -2.171 -24.632 8.296 1.00 3.77 H ATOM 2834 HG3 GLU B 65 -0.470 -25.089 8.281 1.00 3.72 H ATOM 2835 N SER B 66 0.890 -23.260 8.924 1.00 2.89 N ATOM 2836 CA SER B 66 2.283 -23.014 8.570 1.00 3.23 C ATOM 2837 C SER B 66 2.396 -22.157 7.308 1.00 2.99 C ATOM 2838 O SER B 66 3.479 -21.692 6.959 1.00 3.29 O ATOM 2839 CB SER B 66 3.014 -24.344 8.372 1.00 3.50 C ATOM 2840 OG SER B 66 2.839 -25.196 9.497 1.00 3.90 O ATOM 2841 H SER B 66 0.298 -23.688 8.270 1.00 2.74 H ATOM 2842 HA SER B 66 2.740 -22.482 9.391 1.00 3.63 H ATOM 2843 HB2 SER B 66 2.624 -24.841 7.495 1.00 3.59 H ATOM 2844 HB3 SER B 66 4.070 -24.156 8.240 1.00 3.83 H ATOM 2845 HG SER B 66 2.650 -24.657 10.275 1.00 4.07 H ATOM 2846 N GLY B 67 1.276 -21.943 6.634 1.00 2.60 N ATOM 2847 CA GLY B 67 1.281 -21.144 5.428 1.00 2.42 C ATOM 2848 C GLY B 67 0.108 -20.191 5.379 1.00 2.01 C ATOM 2849 O GLY B 67 -0.613 -20.034 6.368 1.00 2.17 O ATOM 2850 H GLY B 67 0.439 -22.335 6.949 1.00 2.55 H ATOM 2851 HA2 GLY B 67 2.199 -20.573 5.389 1.00 2.70 H ATOM 2852 HA3 GLY B 67 1.235 -21.803 4.571 1.00 2.43 H ATOM 2853 N CYS B 68 -0.089 -19.559 4.233 1.00 1.67 N ATOM 2854 CA CYS B 68 -1.175 -18.601 4.070 1.00 1.41 C ATOM 2855 C CYS B 68 -2.348 -19.214 3.315 1.00 1.33 C ATOM 2856 O CYS B 68 -2.585 -18.898 2.146 1.00 1.74 O ATOM 2857 CB CYS B 68 -0.679 -17.344 3.356 1.00 1.27 C ATOM 2858 SG CYS B 68 0.501 -16.361 4.332 1.00 1.41 S ATOM 2859 H CYS B 68 0.508 -19.736 3.480 1.00 1.76 H ATOM 2860 HA CYS B 68 -1.513 -18.326 5.061 1.00 1.62 H ATOM 2861 HB2 CYS B 68 -0.185 -17.630 2.436 1.00 1.49 H ATOM 2862 HB3 CYS B 68 -1.525 -16.711 3.126 1.00 1.40 H ATOM 2863 N ARG B 69 -3.051 -20.119 3.995 1.00 1.26 N ATOM 2864 CA ARG B 69 -4.320 -20.688 3.523 1.00 1.31 C ATOM 2865 C ARG B 69 -4.127 -21.631 2.340 1.00 1.28 C ATOM 2866 O ARG B 69 -4.244 -22.848 2.482 1.00 1.44 O ATOM 2867 CB ARG B 69 -5.320 -19.581 3.159 1.00 1.48 C ATOM 2868 CG ARG B 69 -5.576 -18.591 4.286 1.00 1.91 C ATOM 2869 CD ARG B 69 -6.669 -17.601 3.921 1.00 2.10 C ATOM 2870 NE ARG B 69 -7.987 -18.229 3.881 1.00 2.57 N ATOM 2871 CZ ARG B 69 -9.131 -17.548 3.811 1.00 3.04 C ATOM 2872 NH1 ARG B 69 -9.112 -16.224 3.684 1.00 2.99 N1+ ATOM 2873 NH2 ARG B 69 -10.291 -18.190 3.854 1.00 3.95 N ATOM 2874 H ARG B 69 -2.692 -20.436 4.847 1.00 1.52 H ATOM 2875 HA ARG B 69 -4.733 -21.265 4.337 1.00 1.42 H ATOM 2876 HB2 ARG B 69 -4.932 -19.031 2.313 1.00 1.72 H ATOM 2877 HB3 ARG B 69 -6.259 -20.036 2.884 1.00 1.71 H ATOM 2878 HG2 ARG B 69 -5.874 -19.134 5.171 1.00 2.25 H ATOM 2879 HG3 ARG B 69 -4.664 -18.048 4.484 1.00 2.24 H ATOM 2880 HD2 ARG B 69 -6.681 -16.807 4.654 1.00 2.42 H ATOM 2881 HD3 ARG B 69 -6.450 -17.187 2.945 1.00 2.34 H ATOM 2882 HE ARG B 69 -8.022 -19.211 3.939 1.00 2.93 H ATOM 2883 HH11 ARG B 69 -8.236 -15.731 3.634 1.00 2.79 H ATOM 2884 HH12 ARG B 69 -9.972 -15.708 3.650 1.00 3.48 H ATOM 2885 HH21 ARG B 69 -10.313 -19.192 3.941 1.00 4.35 H ATOM 2886 HH22 ARG B 69 -11.152 -17.680 3.815 1.00 4.40 H ATOM 2887 N GLY B 70 -3.834 -21.073 1.180 1.00 1.32 N ATOM 2888 CA GLY B 70 -3.700 -21.882 -0.011 1.00 1.42 C ATOM 2889 C GLY B 70 -2.261 -22.231 -0.324 1.00 1.41 C ATOM 2890 O GLY B 70 -2.006 -23.156 -1.090 1.00 1.60 O ATOM 2891 H GLY B 70 -3.700 -20.100 1.137 1.00 1.44 H ATOM 2892 HA2 GLY B 70 -4.257 -22.798 0.125 1.00 1.61 H ATOM 2893 HA3 GLY B 70 -4.117 -21.343 -0.850 1.00 1.44 H ATOM 2894 N ILE B 71 -1.325 -21.499 0.269 1.00 1.32 N ATOM 2895 CA ILE B 71 0.093 -21.699 -0.012 1.00 1.42 C ATOM 2896 C ILE B 71 0.563 -23.070 0.463 1.00 1.57 C ATOM 2897 O ILE B 71 0.388 -23.425 1.630 1.00 1.64 O ATOM 2898 CB ILE B 71 0.972 -20.623 0.661 1.00 1.43 C ATOM 2899 CG1 ILE B 71 0.573 -19.217 0.198 1.00 1.35 C ATOM 2900 CG2 ILE B 71 2.444 -20.883 0.361 1.00 1.65 C ATOM 2901 CD1 ILE B 71 0.797 -18.969 -1.279 1.00 1.25 C ATOM 2902 H ILE B 71 -1.591 -20.816 0.916 1.00 1.31 H ATOM 2903 HA ILE B 71 0.234 -21.632 -1.080 1.00 1.48 H ATOM 2904 HB ILE B 71 0.833 -20.696 1.729 1.00 1.46 H ATOM 2905 HG12 ILE B 71 -0.476 -19.064 0.402 1.00 1.48 H ATOM 2906 HG13 ILE B 71 1.150 -18.490 0.750 1.00 1.46 H ATOM 2907 HG21 ILE B 71 2.604 -20.857 -0.707 1.00 1.96 H ATOM 2908 HG22 ILE B 71 2.722 -21.853 0.743 1.00 1.95 H ATOM 2909 HG23 ILE B 71 3.048 -20.122 0.833 1.00 2.04 H ATOM 2910 HD11 ILE B 71 0.520 -17.953 -1.519 1.00 1.56 H ATOM 2911 HD12 ILE B 71 0.191 -19.652 -1.854 1.00 1.71 H ATOM 2912 HD13 ILE B 71 1.840 -19.123 -1.517 1.00 1.59 H ATOM 2913 N ASP B 72 1.146 -23.831 -0.453 1.00 1.81 N ATOM 2914 CA ASP B 72 1.739 -25.117 -0.117 1.00 2.05 C ATOM 2915 C ASP B 72 2.977 -24.908 0.744 1.00 2.29 C ATOM 2916 O ASP B 72 4.024 -24.485 0.254 1.00 3.02 O ATOM 2917 CB ASP B 72 2.109 -25.888 -1.387 1.00 2.74 C ATOM 2918 CG ASP B 72 2.676 -27.256 -1.077 1.00 2.82 C ATOM 2919 OD1 ASP B 72 3.909 -27.391 -0.985 1.00 3.14 O ATOM 2920 OD2 ASP B 72 1.883 -28.209 -0.922 1.00 3.32 O1+ ATOM 2921 H ASP B 72 1.169 -23.523 -1.386 1.00 1.93 H ATOM 2922 HA ASP B 72 1.011 -25.685 0.442 1.00 2.10 H ATOM 2923 HB2 ASP B 72 1.226 -26.012 -1.997 1.00 3.12 H ATOM 2924 HB3 ASP B 72 2.849 -25.328 -1.941 1.00 3.22 H ATOM 2925 N SER B 73 2.846 -25.211 2.027 1.00 2.28 N ATOM 2926 CA SER B 73 3.905 -24.962 2.994 1.00 2.98 C ATOM 2927 C SER B 73 5.097 -25.895 2.793 1.00 2.65 C ATOM 2928 O SER B 73 6.171 -25.671 3.356 1.00 3.10 O ATOM 2929 CB SER B 73 3.346 -25.112 4.412 1.00 3.92 C ATOM 2930 OG SER B 73 2.629 -26.331 4.549 1.00 4.63 O ATOM 2931 H SER B 73 2.005 -25.609 2.338 1.00 2.23 H ATOM 2932 HA SER B 73 4.239 -23.943 2.858 1.00 3.49 H ATOM 2933 HB2 SER B 73 4.160 -25.110 5.120 1.00 4.29 H ATOM 2934 HB3 SER B 73 2.676 -24.290 4.625 1.00 4.18 H ATOM 2935 HG SER B 73 1.857 -26.187 5.110 1.00 4.99 H ATOM 2936 N LYS B 74 4.916 -26.930 1.984 1.00 2.20 N ATOM 2937 CA LYS B 74 5.973 -27.898 1.748 1.00 2.08 C ATOM 2938 C LYS B 74 6.958 -27.372 0.710 1.00 2.00 C ATOM 2939 O LYS B 74 8.151 -27.666 0.764 1.00 2.17 O ATOM 2940 CB LYS B 74 5.379 -29.232 1.289 1.00 2.15 C ATOM 2941 CG LYS B 74 6.401 -30.352 1.171 1.00 2.33 C ATOM 2942 CD LYS B 74 5.778 -31.613 0.598 1.00 2.50 C ATOM 2943 CE LYS B 74 4.655 -32.138 1.475 1.00 2.69 C ATOM 2944 NZ LYS B 74 4.131 -33.439 0.987 1.00 3.06 N1+ ATOM 2945 H LYS B 74 4.054 -27.042 1.533 1.00 2.26 H ATOM 2946 HA LYS B 74 6.499 -28.046 2.678 1.00 2.23 H ATOM 2947 HB2 LYS B 74 4.625 -29.537 1.996 1.00 2.49 H ATOM 2948 HB3 LYS B 74 4.917 -29.095 0.325 1.00 2.39 H ATOM 2949 HG2 LYS B 74 7.201 -30.031 0.520 1.00 2.60 H ATOM 2950 HG3 LYS B 74 6.796 -30.571 2.151 1.00 2.69 H ATOM 2951 HD2 LYS B 74 5.377 -31.387 -0.376 1.00 2.70 H ATOM 2952 HD3 LYS B 74 6.540 -32.371 0.510 1.00 2.66 H ATOM 2953 HE2 LYS B 74 5.028 -32.264 2.481 1.00 2.80 H ATOM 2954 HE3 LYS B 74 3.854 -31.416 1.477 1.00 2.80 H ATOM 2955 HZ1 LYS B 74 3.821 -33.353 -0.003 1.00 3.31 H ATOM 2956 HZ2 LYS B 74 3.322 -33.740 1.566 1.00 3.33 H ATOM 2957 HZ3 LYS B 74 4.872 -34.168 1.045 1.00 3.27 H ATOM 2958 N HIS B 75 6.456 -26.593 -0.233 1.00 1.88 N ATOM 2959 CA HIS B 75 7.300 -26.029 -1.277 1.00 1.91 C ATOM 2960 C HIS B 75 7.674 -24.586 -0.952 1.00 1.76 C ATOM 2961 O HIS B 75 8.750 -24.120 -1.322 1.00 1.86 O ATOM 2962 CB HIS B 75 6.595 -26.101 -2.637 1.00 2.06 C ATOM 2963 CG HIS B 75 7.451 -25.664 -3.791 1.00 2.43 C ATOM 2964 ND1 HIS B 75 7.080 -24.673 -4.672 1.00 3.01 N ATOM 2965 CD2 HIS B 75 8.665 -26.098 -4.209 1.00 2.91 C ATOM 2966 CE1 HIS B 75 8.024 -24.516 -5.580 1.00 3.51 C ATOM 2967 NE2 HIS B 75 8.996 -25.368 -5.322 1.00 3.44 N ATOM 2968 H HIS B 75 5.489 -26.402 -0.237 1.00 1.86 H ATOM 2969 HA HIS B 75 8.206 -26.617 -1.318 1.00 2.08 H ATOM 2970 HB2 HIS B 75 6.285 -27.119 -2.823 1.00 2.16 H ATOM 2971 HB3 HIS B 75 5.722 -25.464 -2.613 1.00 2.27 H ATOM 2972 HD1 HIS B 75 6.238 -24.165 -4.646 1.00 3.34 H ATOM 2973 HD2 HIS B 75 9.260 -26.876 -3.751 1.00 3.25 H ATOM 2974 HE1 HIS B 75 8.007 -23.804 -6.392 1.00 4.16 H ATOM 2975 HE2 HIS B 75 9.731 -25.582 -5.941 1.00 3.97 H ATOM 2976 N TRP B 76 6.797 -23.885 -0.253 1.00 1.65 N ATOM 2977 CA TRP B 76 7.025 -22.482 0.049 1.00 1.54 C ATOM 2978 C TRP B 76 6.902 -22.194 1.536 1.00 1.63 C ATOM 2979 O TRP B 76 6.033 -22.732 2.221 1.00 1.75 O ATOM 2980 CB TRP B 76 6.039 -21.593 -0.713 1.00 1.42 C ATOM 2981 CG TRP B 76 6.337 -21.467 -2.174 1.00 1.56 C ATOM 2982 CD1 TRP B 76 5.580 -21.936 -3.207 1.00 1.71 C ATOM 2983 CD2 TRP B 76 7.472 -20.824 -2.766 1.00 1.96 C ATOM 2984 NE1 TRP B 76 6.173 -21.620 -4.406 1.00 2.03 N ATOM 2985 CE2 TRP B 76 7.336 -20.939 -4.160 1.00 2.23 C ATOM 2986 CE3 TRP B 76 8.591 -20.160 -2.252 1.00 2.34 C ATOM 2987 CZ2 TRP B 76 8.273 -20.415 -5.045 1.00 2.81 C ATOM 2988 CZ3 TRP B 76 9.520 -19.641 -3.132 1.00 2.96 C ATOM 2989 CH2 TRP B 76 9.356 -19.770 -4.516 1.00 3.17 C ATOM 2990 H TRP B 76 5.979 -24.320 0.077 1.00 1.70 H ATOM 2991 HA TRP B 76 8.028 -22.239 -0.267 1.00 1.60 H ATOM 2992 HB2 TRP B 76 5.043 -22.007 -0.616 1.00 1.50 H ATOM 2993 HB3 TRP B 76 6.055 -20.602 -0.284 1.00 1.42 H ATOM 2994 HD1 TRP B 76 4.652 -22.475 -3.086 1.00 1.82 H ATOM 2995 HE1 TRP B 76 5.819 -21.847 -5.294 1.00 2.25 H ATOM 2996 HE3 TRP B 76 8.735 -20.049 -1.186 1.00 2.27 H ATOM 2997 HZ2 TRP B 76 8.160 -20.507 -6.115 1.00 3.07 H ATOM 2998 HZ3 TRP B 76 10.389 -19.124 -2.751 1.00 3.37 H ATOM 2999 HH2 TRP B 76 10.107 -19.349 -5.166 1.00 3.70 H ATOM 3000 N ASN B 77 7.790 -21.347 2.022 1.00 1.69 N ATOM 3001 CA ASN B 77 7.681 -20.804 3.364 1.00 1.80 C ATOM 3002 C ASN B 77 6.951 -19.476 3.274 1.00 1.61 C ATOM 3003 O ASN B 77 7.247 -18.668 2.397 1.00 1.51 O ATOM 3004 CB ASN B 77 9.074 -20.602 3.978 1.00 2.08 C ATOM 3005 CG ASN B 77 9.046 -19.910 5.334 1.00 2.31 C ATOM 3006 OD1 ASN B 77 9.899 -19.073 5.630 1.00 2.66 O ATOM 3007 ND2 ASN B 77 8.100 -20.283 6.182 1.00 2.70 N ATOM 3008 H ASN B 77 8.539 -21.063 1.453 1.00 1.73 H ATOM 3009 HA ASN B 77 7.108 -21.490 3.969 1.00 1.91 H ATOM 3010 HB2 ASN B 77 9.544 -21.564 4.101 1.00 2.29 H ATOM 3011 HB3 ASN B 77 9.668 -20.010 3.305 1.00 2.12 H ATOM 3012 HD21 ASN B 77 7.472 -20.982 5.902 1.00 3.00 H ATOM 3013 HD22 ASN B 77 8.075 -19.852 7.064 1.00 2.94 H ATOM 3014 N SER B 78 5.995 -19.253 4.155 1.00 1.67 N ATOM 3015 CA SER B 78 5.192 -18.046 4.090 1.00 1.53 C ATOM 3016 C SER B 78 5.183 -17.313 5.420 1.00 1.58 C ATOM 3017 O SER B 78 5.108 -17.929 6.489 1.00 1.77 O ATOM 3018 CB SER B 78 3.763 -18.389 3.677 1.00 1.61 C ATOM 3019 OG SER B 78 3.760 -19.166 2.497 1.00 1.93 O ATOM 3020 H SER B 78 5.824 -19.909 4.861 1.00 1.87 H ATOM 3021 HA SER B 78 5.627 -17.401 3.341 1.00 1.50 H ATOM 3022 HB2 SER B 78 3.284 -18.949 4.466 1.00 2.01 H ATOM 3023 HB3 SER B 78 3.214 -17.477 3.496 1.00 1.85 H ATOM 3024 HG SER B 78 4.661 -19.232 2.158 1.00 2.16 H ATOM 3025 N TYR B 79 5.280 -15.998 5.342 1.00 1.51 N ATOM 3026 CA TYR B 79 5.118 -15.147 6.500 1.00 1.60 C ATOM 3027 C TYR B 79 4.630 -13.772 6.060 1.00 1.44 C ATOM 3028 O TYR B 79 5.020 -13.268 4.995 1.00 1.36 O ATOM 3029 CB TYR B 79 6.416 -15.055 7.329 1.00 1.88 C ATOM 3030 CG TYR B 79 7.665 -14.677 6.555 1.00 1.88 C ATOM 3031 CD1 TYR B 79 8.133 -13.368 6.543 1.00 1.92 C ATOM 3032 CD2 TYR B 79 8.393 -15.639 5.863 1.00 2.38 C ATOM 3033 CE1 TYR B 79 9.287 -13.028 5.859 1.00 2.32 C ATOM 3034 CE2 TYR B 79 9.546 -15.305 5.174 1.00 3.05 C ATOM 3035 CZ TYR B 79 9.988 -14.000 5.176 1.00 2.97 C ATOM 3036 OH TYR B 79 11.137 -13.666 4.495 1.00 3.73 O ATOM 3037 H TYR B 79 5.466 -15.583 4.469 1.00 1.46 H ATOM 3038 HA TYR B 79 4.346 -15.595 7.113 1.00 1.68 H ATOM 3039 HB2 TYR B 79 6.281 -14.316 8.105 1.00 2.20 H ATOM 3040 HB3 TYR B 79 6.597 -16.017 7.791 1.00 2.29 H ATOM 3041 HD1 TYR B 79 7.580 -12.606 7.074 1.00 1.98 H ATOM 3042 HD2 TYR B 79 8.045 -16.660 5.860 1.00 2.48 H ATOM 3043 HE1 TYR B 79 9.635 -12.004 5.860 1.00 2.36 H ATOM 3044 HE2 TYR B 79 10.095 -16.067 4.640 1.00 3.73 H ATOM 3045 HH TYR B 79 11.135 -14.095 3.627 1.00 4.07 H ATOM 3046 N CYS B 80 3.745 -13.195 6.858 1.00 1.46 N ATOM 3047 CA CYS B 80 3.139 -11.914 6.532 1.00 1.34 C ATOM 3048 C CYS B 80 4.065 -10.771 6.915 1.00 1.42 C ATOM 3049 O CYS B 80 4.492 -10.656 8.065 1.00 1.67 O ATOM 3050 CB CYS B 80 1.794 -11.769 7.241 1.00 1.42 C ATOM 3051 SG CYS B 80 0.575 -13.042 6.783 1.00 1.48 S ATOM 3052 H CYS B 80 3.490 -13.643 7.694 1.00 1.59 H ATOM 3053 HA CYS B 80 2.980 -11.887 5.464 1.00 1.22 H ATOM 3054 HB2 CYS B 80 1.946 -11.829 8.310 1.00 1.61 H ATOM 3055 HB3 CYS B 80 1.367 -10.803 6.997 1.00 1.39 H ATOM 3056 N THR B 81 4.392 -9.945 5.936 1.00 1.29 N ATOM 3057 CA THR B 81 5.258 -8.802 6.147 1.00 1.39 C ATOM 3058 C THR B 81 4.598 -7.550 5.583 1.00 1.25 C ATOM 3059 O THR B 81 3.991 -7.594 4.510 1.00 1.40 O ATOM 3060 CB THR B 81 6.628 -9.028 5.476 1.00 1.72 C ATOM 3061 OG1 THR B 81 7.174 -10.279 5.921 1.00 2.25 O ATOM 3062 CG2 THR B 81 7.602 -7.903 5.802 1.00 1.92 C ATOM 3063 H THR B 81 4.029 -10.105 5.034 1.00 1.23 H ATOM 3064 HA THR B 81 5.406 -8.681 7.210 1.00 1.56 H ATOM 3065 HB THR B 81 6.489 -9.067 4.404 1.00 1.95 H ATOM 3066 HG1 THR B 81 6.462 -10.922 6.003 1.00 2.49 H ATOM 3067 HG21 THR B 81 7.774 -7.872 6.868 1.00 2.15 H ATOM 3068 HG22 THR B 81 7.187 -6.961 5.477 1.00 2.16 H ATOM 3069 HG23 THR B 81 8.539 -8.078 5.292 1.00 2.46 H ATOM 3070 N THR B 82 4.687 -6.452 6.312 1.00 1.35 N ATOM 3071 CA THR B 82 4.082 -5.212 5.878 1.00 1.47 C ATOM 3072 C THR B 82 4.995 -4.451 4.925 1.00 1.37 C ATOM 3073 O THR B 82 6.137 -4.129 5.256 1.00 1.91 O ATOM 3074 CB THR B 82 3.717 -4.316 7.073 1.00 2.18 C ATOM 3075 OG1 THR B 82 4.796 -4.271 8.016 1.00 2.78 O ATOM 3076 CG2 THR B 82 2.459 -4.811 7.761 1.00 2.66 C ATOM 3077 H THR B 82 5.166 -6.472 7.166 1.00 1.56 H ATOM 3078 HA THR B 82 3.171 -5.460 5.353 1.00 1.53 H ATOM 3079 HB THR B 82 3.535 -3.315 6.708 1.00 2.46 H ATOM 3080 HG1 THR B 82 4.770 -3.416 8.479 1.00 3.00 H ATOM 3081 HG21 THR B 82 2.605 -5.830 8.089 1.00 3.09 H ATOM 3082 HG22 THR B 82 1.630 -4.771 7.069 1.00 2.96 H ATOM 3083 HG23 THR B 82 2.246 -4.186 8.615 1.00 2.98 H ATOM 3084 N THR B 83 4.489 -4.182 3.733 1.00 1.15 N ATOM 3085 CA THR B 83 5.199 -3.360 2.778 1.00 1.29 C ATOM 3086 C THR B 83 5.073 -1.900 3.194 1.00 1.00 C ATOM 3087 O THR B 83 3.989 -1.451 3.568 1.00 1.42 O ATOM 3088 CB THR B 83 4.641 -3.553 1.355 1.00 2.05 C ATOM 3089 OG1 THR B 83 4.568 -4.953 1.053 1.00 2.69 O ATOM 3090 CG2 THR B 83 5.515 -2.858 0.322 1.00 2.60 C ATOM 3091 H THR B 83 3.603 -4.541 3.492 1.00 1.29 H ATOM 3092 HA THR B 83 6.241 -3.649 2.788 1.00 1.67 H ATOM 3093 HB THR B 83 3.648 -3.128 1.312 1.00 2.56 H ATOM 3094 HG1 THR B 83 5.244 -5.422 1.552 1.00 3.17 H ATOM 3095 HG21 THR B 83 5.093 -3.003 -0.661 1.00 3.04 H ATOM 3096 HG22 THR B 83 6.510 -3.277 0.351 1.00 2.96 H ATOM 3097 HG23 THR B 83 5.562 -1.803 0.542 1.00 2.96 H ATOM 3098 N HIS B 84 6.176 -1.174 3.162 1.00 1.07 N ATOM 3099 CA HIS B 84 6.184 0.206 3.617 1.00 1.19 C ATOM 3100 C HIS B 84 6.265 1.159 2.439 1.00 1.16 C ATOM 3101 O HIS B 84 7.200 1.094 1.642 1.00 1.55 O ATOM 3102 CB HIS B 84 7.349 0.452 4.585 1.00 1.91 C ATOM 3103 CG HIS B 84 7.253 -0.356 5.843 1.00 2.36 C ATOM 3104 ND1 HIS B 84 7.919 -1.547 6.025 1.00 2.96 N ATOM 3105 CD2 HIS B 84 6.549 -0.147 6.981 1.00 3.02 C ATOM 3106 CE1 HIS B 84 7.626 -2.036 7.212 1.00 3.65 C ATOM 3107 NE2 HIS B 84 6.795 -1.207 7.816 1.00 3.71 N ATOM 3108 H HIS B 84 7.005 -1.571 2.812 1.00 1.48 H ATOM 3109 HA HIS B 84 5.253 0.381 4.138 1.00 1.28 H ATOM 3110 HB2 HIS B 84 8.276 0.196 4.095 1.00 2.28 H ATOM 3111 HB3 HIS B 84 7.368 1.498 4.860 1.00 2.45 H ATOM 3112 HD1 HIS B 84 8.520 -1.975 5.373 1.00 3.23 H ATOM 3113 HD2 HIS B 84 5.913 0.701 7.196 1.00 3.38 H ATOM 3114 HE1 HIS B 84 8.002 -2.960 7.623 1.00 4.36 H ATOM 3115 HE2 HIS B 84 6.226 -1.455 8.585 1.00 4.39 H ATOM 3116 N THR B 85 5.282 2.036 2.330 1.00 0.98 N ATOM 3117 CA THR B 85 5.249 3.000 1.243 1.00 1.03 C ATOM 3118 C THR B 85 5.532 4.391 1.788 1.00 0.97 C ATOM 3119 O THR B 85 5.412 4.624 2.988 1.00 0.94 O ATOM 3120 CB THR B 85 3.885 3.001 0.511 1.00 1.13 C ATOM 3121 OG1 THR B 85 4.028 3.584 -0.792 1.00 1.48 O ATOM 3122 CG2 THR B 85 2.839 3.787 1.296 1.00 1.09 C ATOM 3123 H THR B 85 4.561 2.042 3.004 1.00 1.04 H ATOM 3124 HA THR B 85 6.022 2.733 0.534 1.00 1.20 H ATOM 3125 HB THR B 85 3.544 1.980 0.408 1.00 1.29 H ATOM 3126 HG1 THR B 85 3.308 3.286 -1.358 1.00 1.61 H ATOM 3127 HG21 THR B 85 2.720 3.348 2.275 1.00 1.49 H ATOM 3128 HG22 THR B 85 1.896 3.758 0.771 1.00 1.40 H ATOM 3129 HG23 THR B 85 3.162 4.813 1.398 1.00 1.60 H ATOM 3130 N PHE B 86 5.895 5.310 0.910 1.00 1.08 N ATOM 3131 CA PHE B 86 6.221 6.660 1.328 1.00 1.06 C ATOM 3132 C PHE B 86 5.071 7.599 0.988 1.00 1.08 C ATOM 3133 O PHE B 86 4.727 7.781 -0.179 1.00 1.21 O ATOM 3134 CB PHE B 86 7.518 7.132 0.661 1.00 1.21 C ATOM 3135 CG PHE B 86 8.683 6.217 0.915 1.00 1.20 C ATOM 3136 CD1 PHE B 86 9.369 6.266 2.118 1.00 1.70 C ATOM 3137 CD2 PHE B 86 9.090 5.305 -0.047 1.00 1.66 C ATOM 3138 CE1 PHE B 86 10.438 5.425 2.357 1.00 1.67 C ATOM 3139 CE2 PHE B 86 10.158 4.461 0.187 1.00 1.75 C ATOM 3140 CZ PHE B 86 10.833 4.520 1.391 1.00 1.29 C ATOM 3141 H PHE B 86 5.920 5.080 -0.042 1.00 1.22 H ATOM 3142 HA PHE B 86 6.357 6.649 2.400 1.00 0.96 H ATOM 3143 HB2 PHE B 86 7.369 7.192 -0.409 1.00 1.32 H ATOM 3144 HB3 PHE B 86 7.776 8.110 1.042 1.00 1.25 H ATOM 3145 HD1 PHE B 86 9.062 6.972 2.876 1.00 2.45 H ATOM 3146 HD2 PHE B 86 8.563 5.258 -0.988 1.00 2.34 H ATOM 3147 HE1 PHE B 86 10.964 5.474 3.300 1.00 2.36 H ATOM 3148 HE2 PHE B 86 10.465 3.754 -0.570 1.00 2.52 H ATOM 3149 HZ PHE B 86 11.668 3.860 1.575 1.00 1.36 H ATOM 3150 N VAL B 87 4.480 8.191 2.012 1.00 0.99 N ATOM 3151 CA VAL B 87 3.320 9.044 1.828 1.00 1.04 C ATOM 3152 C VAL B 87 3.661 10.509 2.070 1.00 1.05 C ATOM 3153 O VAL B 87 4.403 10.849 2.996 1.00 0.96 O ATOM 3154 CB VAL B 87 2.149 8.635 2.753 1.00 1.01 C ATOM 3155 CG1 VAL B 87 1.599 7.280 2.352 1.00 1.08 C ATOM 3156 CG2 VAL B 87 2.579 8.618 4.211 1.00 0.91 C ATOM 3157 H VAL B 87 4.832 8.046 2.920 1.00 0.90 H ATOM 3158 HA VAL B 87 2.991 8.930 0.805 1.00 1.17 H ATOM 3159 HB VAL B 87 1.360 9.363 2.644 1.00 1.07 H ATOM 3160 HG11 VAL B 87 1.210 7.332 1.346 1.00 1.50 H ATOM 3161 HG12 VAL B 87 0.808 6.999 3.032 1.00 1.38 H ATOM 3162 HG13 VAL B 87 2.388 6.545 2.396 1.00 1.59 H ATOM 3163 HG21 VAL B 87 3.374 7.900 4.345 1.00 1.43 H ATOM 3164 HG22 VAL B 87 1.739 8.343 4.830 1.00 1.38 H ATOM 3165 HG23 VAL B 87 2.929 9.599 4.496 1.00 1.24 H ATOM 3166 N LYS B 88 3.118 11.360 1.208 1.00 1.26 N ATOM 3167 CA LYS B 88 3.300 12.804 1.304 1.00 1.35 C ATOM 3168 C LYS B 88 2.568 13.367 2.522 1.00 1.22 C ATOM 3169 O LYS B 88 1.336 13.489 2.535 1.00 1.34 O ATOM 3170 CB LYS B 88 2.825 13.481 0.006 1.00 1.73 C ATOM 3171 CG LYS B 88 1.461 13.005 -0.485 1.00 1.96 C ATOM 3172 CD LYS B 88 1.191 13.472 -1.905 1.00 2.50 C ATOM 3173 CE LYS B 88 -0.035 12.795 -2.499 1.00 3.13 C ATOM 3174 NZ LYS B 88 -1.306 13.326 -1.934 1.00 3.82 N1+ ATOM 3175 H LYS B 88 2.583 11.000 0.478 1.00 1.40 H ATOM 3176 HA LYS B 88 4.359 12.991 1.427 1.00 1.38 H ATOM 3177 HB2 LYS B 88 2.768 14.545 0.173 1.00 2.13 H ATOM 3178 HB3 LYS B 88 3.549 13.289 -0.773 1.00 2.10 H ATOM 3179 HG2 LYS B 88 1.428 11.929 -0.460 1.00 2.10 H ATOM 3180 HG3 LYS B 88 0.698 13.403 0.166 1.00 2.23 H ATOM 3181 HD2 LYS B 88 1.026 14.539 -1.896 1.00 2.85 H ATOM 3182 HD3 LYS B 88 2.049 13.245 -2.519 1.00 2.62 H ATOM 3183 HE2 LYS B 88 -0.033 12.955 -3.567 1.00 3.36 H ATOM 3184 HE3 LYS B 88 0.024 11.735 -2.295 1.00 3.47 H ATOM 3185 HZ1 LYS B 88 -1.278 13.315 -0.896 1.00 4.13 H ATOM 3186 HZ2 LYS B 88 -2.107 12.749 -2.254 1.00 4.22 H ATOM 3187 HZ3 LYS B 88 -1.454 14.307 -2.260 1.00 4.11 H ATOM 3188 N ALA B 89 3.336 13.664 3.558 1.00 1.10 N ATOM 3189 CA ALA B 89 2.791 14.180 4.803 1.00 1.08 C ATOM 3190 C ALA B 89 3.546 15.422 5.260 1.00 1.05 C ATOM 3191 O ALA B 89 4.771 15.478 5.164 1.00 1.04 O ATOM 3192 CB ALA B 89 2.846 13.108 5.879 1.00 1.13 C ATOM 3193 H ALA B 89 4.313 13.545 3.477 1.00 1.12 H ATOM 3194 HA ALA B 89 1.755 14.438 4.636 1.00 1.20 H ATOM 3195 HB1 ALA B 89 2.368 12.211 5.515 1.00 1.57 H ATOM 3196 HB2 ALA B 89 2.332 13.456 6.762 1.00 1.54 H ATOM 3197 HB3 ALA B 89 3.876 12.893 6.122 1.00 1.50 H ATOM 3198 N LEU B 90 2.817 16.414 5.753 1.00 1.11 N ATOM 3199 CA LEU B 90 3.451 17.582 6.346 1.00 1.11 C ATOM 3200 C LEU B 90 4.017 17.203 7.704 1.00 1.06 C ATOM 3201 O LEU B 90 3.270 16.975 8.658 1.00 1.11 O ATOM 3202 CB LEU B 90 2.459 18.741 6.503 1.00 1.24 C ATOM 3203 CG LEU B 90 3.078 20.057 6.992 1.00 1.30 C ATOM 3204 CD1 LEU B 90 3.900 20.707 5.892 1.00 1.45 C ATOM 3205 CD2 LEU B 90 2.005 21.012 7.484 1.00 1.44 C ATOM 3206 H LEU B 90 1.842 16.363 5.715 1.00 1.19 H ATOM 3207 HA LEU B 90 4.261 17.885 5.700 1.00 1.11 H ATOM 3208 HB2 LEU B 90 1.987 18.919 5.545 1.00 1.36 H ATOM 3209 HB3 LEU B 90 1.698 18.442 7.213 1.00 1.37 H ATOM 3210 HG LEU B 90 3.742 19.847 7.819 1.00 1.35 H ATOM 3211 HD11 LEU B 90 3.279 20.866 5.025 1.00 1.83 H ATOM 3212 HD12 LEU B 90 4.727 20.063 5.632 1.00 1.79 H ATOM 3213 HD13 LEU B 90 4.279 21.657 6.241 1.00 1.84 H ATOM 3214 HD21 LEU B 90 2.461 21.948 7.769 1.00 1.81 H ATOM 3215 HD22 LEU B 90 1.505 20.580 8.340 1.00 1.87 H ATOM 3216 HD23 LEU B 90 1.287 21.185 6.696 1.00 1.72 H ATOM 3217 N THR B 91 5.330 17.110 7.781 1.00 1.02 N ATOM 3218 CA THR B 91 5.993 16.698 9.001 1.00 0.99 C ATOM 3219 C THR B 91 7.121 17.663 9.326 1.00 1.06 C ATOM 3220 O THR B 91 7.552 18.428 8.466 1.00 1.15 O ATOM 3221 CB THR B 91 6.559 15.267 8.871 1.00 0.99 C ATOM 3222 OG1 THR B 91 7.478 15.209 7.777 1.00 1.08 O ATOM 3223 CG2 THR B 91 5.450 14.250 8.640 1.00 0.99 C ATOM 3224 H THR B 91 5.875 17.345 6.994 1.00 1.04 H ATOM 3225 HA THR B 91 5.271 16.711 9.802 1.00 1.00 H ATOM 3226 HB THR B 91 7.078 15.012 9.783 1.00 1.02 H ATOM 3227 HG1 THR B 91 7.006 15.385 6.958 1.00 1.25 H ATOM 3228 HG21 THR B 91 5.866 13.253 8.659 1.00 1.40 H ATOM 3229 HG22 THR B 91 4.994 14.429 7.677 1.00 1.44 H ATOM 3230 HG23 THR B 91 4.704 14.345 9.412 1.00 1.42 H ATOM 3231 N THR B 92 7.594 17.641 10.556 1.00 1.07 N ATOM 3232 CA THR B 92 8.679 18.513 10.948 1.00 1.17 C ATOM 3233 C THR B 92 9.895 17.695 11.365 1.00 1.18 C ATOM 3234 O THR B 92 9.826 16.863 12.272 1.00 1.12 O ATOM 3235 CB THR B 92 8.255 19.489 12.072 1.00 1.22 C ATOM 3236 OG1 THR B 92 9.378 20.263 12.508 1.00 1.32 O ATOM 3237 CG2 THR B 92 7.658 18.757 13.262 1.00 1.16 C ATOM 3238 H THR B 92 7.218 17.010 11.215 1.00 1.04 H ATOM 3239 HA THR B 92 8.946 19.099 10.081 1.00 1.27 H ATOM 3240 HB THR B 92 7.506 20.161 11.675 1.00 1.29 H ATOM 3241 HG1 THR B 92 9.260 20.495 13.436 1.00 1.63 H ATOM 3242 HG21 THR B 92 7.272 19.476 13.969 1.00 1.57 H ATOM 3243 HG22 THR B 92 8.425 18.166 13.736 1.00 1.45 H ATOM 3244 HG23 THR B 92 6.858 18.113 12.928 1.00 1.59 H ATOM 3245 N ASP B 93 11.002 17.910 10.667 1.00 1.33 N ATOM 3246 CA ASP B 93 12.245 17.214 10.973 1.00 1.45 C ATOM 3247 C ASP B 93 12.917 17.829 12.195 1.00 1.50 C ATOM 3248 O ASP B 93 13.862 17.263 12.749 1.00 1.77 O ATOM 3249 CB ASP B 93 13.197 17.236 9.768 1.00 1.64 C ATOM 3250 CG ASP B 93 13.503 18.638 9.273 1.00 1.92 C ATOM 3251 OD1 ASP B 93 14.438 19.275 9.803 1.00 2.46 O ATOM 3252 OD2 ASP B 93 12.807 19.106 8.342 1.00 2.40 O1+ ATOM 3253 H ASP B 93 10.982 18.549 9.921 1.00 1.42 H ATOM 3254 HA ASP B 93 11.995 16.188 11.201 1.00 1.47 H ATOM 3255 HB2 ASP B 93 14.128 16.762 10.044 1.00 1.93 H ATOM 3256 HB3 ASP B 93 12.747 16.680 8.957 1.00 1.99 H ATOM 3257 N GLU B 94 12.406 18.977 12.623 1.00 1.49 N ATOM 3258 CA GLU B 94 12.915 19.652 13.806 1.00 1.59 C ATOM 3259 C GLU B 94 11.890 20.669 14.307 1.00 1.55 C ATOM 3260 O GLU B 94 11.149 20.403 15.252 1.00 1.66 O ATOM 3261 CB GLU B 94 14.253 20.334 13.503 1.00 1.79 C ATOM 3262 CG GLU B 94 14.935 20.902 14.731 1.00 2.26 C ATOM 3263 CD GLU B 94 15.255 19.835 15.756 1.00 2.55 C ATOM 3264 OE1 GLU B 94 16.270 19.127 15.586 1.00 3.09 O ATOM 3265 OE2 GLU B 94 14.495 19.695 16.736 1.00 2.87 O1+ ATOM 3266 H GLU B 94 11.656 19.376 12.133 1.00 1.59 H ATOM 3267 HA GLU B 94 13.066 18.905 14.573 1.00 1.66 H ATOM 3268 HB2 GLU B 94 14.917 19.614 13.050 1.00 2.07 H ATOM 3269 HB3 GLU B 94 14.084 21.139 12.808 1.00 1.96 H ATOM 3270 HG2 GLU B 94 15.852 21.379 14.428 1.00 2.64 H ATOM 3271 HG3 GLU B 94 14.283 21.632 15.183 1.00 2.74 H ATOM 3272 N LYS B 95 11.831 21.823 13.653 1.00 1.56 N ATOM 3273 CA LYS B 95 10.867 22.854 14.011 1.00 1.62 C ATOM 3274 C LYS B 95 10.353 23.553 12.758 1.00 1.64 C ATOM 3275 O LYS B 95 9.947 24.713 12.796 1.00 2.06 O ATOM 3276 CB LYS B 95 11.494 23.869 14.974 1.00 1.80 C ATOM 3277 CG LYS B 95 12.761 24.521 14.447 1.00 2.07 C ATOM 3278 CD LYS B 95 13.321 25.520 15.444 1.00 2.23 C ATOM 3279 CE LYS B 95 14.578 26.190 14.917 1.00 2.76 C ATOM 3280 NZ LYS B 95 15.146 27.153 15.900 1.00 3.30 N1+ ATOM 3281 H LYS B 95 12.458 21.990 12.916 1.00 1.62 H ATOM 3282 HA LYS B 95 10.036 22.369 14.502 1.00 1.62 H ATOM 3283 HB2 LYS B 95 10.775 24.650 15.173 1.00 1.98 H ATOM 3284 HB3 LYS B 95 11.733 23.370 15.900 1.00 2.04 H ATOM 3285 HG2 LYS B 95 13.500 23.757 14.262 1.00 2.35 H ATOM 3286 HG3 LYS B 95 12.531 25.036 13.526 1.00 2.28 H ATOM 3287 HD2 LYS B 95 12.578 26.276 15.633 1.00 2.27 H ATOM 3288 HD3 LYS B 95 13.555 25.004 16.364 1.00 2.31 H ATOM 3289 HE2 LYS B 95 15.314 25.431 14.705 1.00 3.06 H ATOM 3290 HE3 LYS B 95 14.332 26.718 14.009 1.00 3.09 H ATOM 3291 HZ1 LYS B 95 14.478 27.931 16.064 1.00 3.60 H ATOM 3292 HZ2 LYS B 95 16.037 27.546 15.540 1.00 3.76 H ATOM 3293 HZ3 LYS B 95 15.331 26.673 16.804 1.00 3.53 H ATOM 3294 N GLN B 96 10.372 22.831 11.647 1.00 1.54 N ATOM 3295 CA GLN B 96 9.942 23.366 10.364 1.00 1.58 C ATOM 3296 C GLN B 96 9.019 22.370 9.676 1.00 1.45 C ATOM 3297 O GLN B 96 9.427 21.252 9.363 1.00 1.45 O ATOM 3298 CB GLN B 96 11.153 23.660 9.472 1.00 1.76 C ATOM 3299 CG GLN B 96 12.071 24.751 10.007 1.00 2.14 C ATOM 3300 CD GLN B 96 11.463 26.139 9.912 1.00 2.36 C ATOM 3301 OE1 GLN B 96 11.631 26.831 8.907 1.00 2.74 O ATOM 3302 NE2 GLN B 96 10.756 26.560 10.950 1.00 2.71 N ATOM 3303 H GLN B 96 10.661 21.896 11.692 1.00 1.71 H ATOM 3304 HA GLN B 96 9.399 24.282 10.546 1.00 1.66 H ATOM 3305 HB2 GLN B 96 11.734 22.755 9.368 1.00 1.79 H ATOM 3306 HB3 GLN B 96 10.803 23.962 8.497 1.00 2.10 H ATOM 3307 HG2 GLN B 96 12.285 24.542 11.046 1.00 2.50 H ATOM 3308 HG3 GLN B 96 12.991 24.737 9.442 1.00 2.55 H ATOM 3309 HE21 GLN B 96 10.656 25.957 11.724 1.00 2.95 H ATOM 3310 HE22 GLN B 96 10.361 27.454 10.912 1.00 3.02 H ATOM 3311 N ALA B 97 7.775 22.771 9.462 1.00 1.40 N ATOM 3312 CA ALA B 97 6.796 21.899 8.829 1.00 1.31 C ATOM 3313 C ALA B 97 7.021 21.838 7.324 1.00 1.32 C ATOM 3314 O ALA B 97 6.862 22.836 6.617 1.00 1.44 O ATOM 3315 CB ALA B 97 5.385 22.372 9.136 1.00 1.36 C ATOM 3316 H ALA B 97 7.511 23.677 9.729 1.00 1.49 H ATOM 3317 HA ALA B 97 6.917 20.909 9.243 1.00 1.25 H ATOM 3318 HB1 ALA B 97 5.239 23.362 8.729 1.00 1.80 H ATOM 3319 HB2 ALA B 97 5.237 22.394 10.205 1.00 1.65 H ATOM 3320 HB3 ALA B 97 4.675 21.691 8.689 1.00 1.68 H ATOM 3321 N ALA B 98 7.401 20.667 6.842 1.00 1.23 N ATOM 3322 CA ALA B 98 7.662 20.467 5.431 1.00 1.27 C ATOM 3323 C ALA B 98 6.944 19.223 4.927 1.00 1.15 C ATOM 3324 O ALA B 98 6.778 18.248 5.665 1.00 1.08 O ATOM 3325 CB ALA B 98 9.160 20.354 5.183 1.00 1.39 C ATOM 3326 H ALA B 98 7.509 19.907 7.458 1.00 1.17 H ATOM 3327 HA ALA B 98 7.292 21.330 4.897 1.00 1.38 H ATOM 3328 HB1 ALA B 98 9.547 19.496 5.711 1.00 1.70 H ATOM 3329 HB2 ALA B 98 9.653 21.248 5.538 1.00 1.79 H ATOM 3330 HB3 ALA B 98 9.344 20.238 4.125 1.00 1.76 H ATOM 3331 N TRP B 99 6.504 19.266 3.682 1.00 1.20 N ATOM 3332 CA TRP B 99 5.831 18.129 3.075 1.00 1.15 C ATOM 3333 C TRP B 99 6.852 17.064 2.704 1.00 1.14 C ATOM 3334 O TRP B 99 7.579 17.193 1.717 1.00 1.29 O ATOM 3335 CB TRP B 99 5.033 18.569 1.842 1.00 1.29 C ATOM 3336 CG TRP B 99 3.967 19.575 2.159 1.00 1.34 C ATOM 3337 CD1 TRP B 99 4.077 20.934 2.089 1.00 1.59 C ATOM 3338 CD2 TRP B 99 2.632 19.304 2.605 1.00 1.48 C ATOM 3339 NE1 TRP B 99 2.894 21.524 2.464 1.00 1.59 N ATOM 3340 CE2 TRP B 99 1.991 20.545 2.785 1.00 1.50 C ATOM 3341 CE3 TRP B 99 1.914 18.133 2.870 1.00 1.93 C ATOM 3342 CZ2 TRP B 99 0.671 20.647 3.218 1.00 1.74 C ATOM 3343 CZ3 TRP B 99 0.604 18.237 3.301 1.00 2.35 C ATOM 3344 CH2 TRP B 99 -0.004 19.485 3.470 1.00 2.18 C ATOM 3345 H TRP B 99 6.637 20.084 3.154 1.00 1.31 H ATOM 3346 HA TRP B 99 5.151 17.716 3.807 1.00 1.12 H ATOM 3347 HB2 TRP B 99 5.707 19.011 1.122 1.00 1.40 H ATOM 3348 HB3 TRP B 99 4.559 17.706 1.401 1.00 1.32 H ATOM 3349 HD1 TRP B 99 4.970 21.456 1.782 1.00 1.95 H ATOM 3350 HE1 TRP B 99 2.723 22.493 2.496 1.00 1.83 H ATOM 3351 HE3 TRP B 99 2.368 17.162 2.745 1.00 2.09 H ATOM 3352 HZ2 TRP B 99 0.187 21.603 3.356 1.00 1.77 H ATOM 3353 HZ3 TRP B 99 0.034 17.343 3.513 1.00 2.87 H ATOM 3354 HH2 TRP B 99 -1.031 19.520 3.808 1.00 2.54 H ATOM 3355 N ARG B 100 6.920 16.029 3.522 1.00 1.07 N ATOM 3356 CA ARG B 100 7.881 14.955 3.336 1.00 1.18 C ATOM 3357 C ARG B 100 7.176 13.715 2.814 1.00 1.07 C ATOM 3358 O ARG B 100 5.955 13.700 2.662 1.00 1.11 O ATOM 3359 CB ARG B 100 8.565 14.614 4.666 1.00 1.34 C ATOM 3360 CG ARG B 100 9.261 15.781 5.350 1.00 1.50 C ATOM 3361 CD ARG B 100 10.474 16.267 4.575 1.00 1.82 C ATOM 3362 NE ARG B 100 11.250 17.235 5.348 1.00 2.30 N ATOM 3363 CZ ARG B 100 12.223 17.987 4.838 1.00 2.80 C ATOM 3364 NH1 ARG B 100 12.508 17.921 3.542 1.00 2.96 N1+ ATOM 3365 NH2 ARG B 100 12.907 18.809 5.624 1.00 3.48 N ATOM 3366 H ARG B 100 6.288 15.974 4.273 1.00 1.05 H ATOM 3367 HA ARG B 100 8.618 15.278 2.617 1.00 1.35 H ATOM 3368 HB2 ARG B 100 7.818 14.229 5.345 1.00 1.34 H ATOM 3369 HB3 ARG B 100 9.300 13.840 4.489 1.00 1.51 H ATOM 3370 HG2 ARG B 100 8.559 16.598 5.445 1.00 1.44 H ATOM 3371 HG3 ARG B 100 9.577 15.467 6.333 1.00 1.75 H ATOM 3372 HD2 ARG B 100 11.102 15.420 4.340 1.00 2.10 H ATOM 3373 HD3 ARG B 100 10.141 16.734 3.662 1.00 1.99 H ATOM 3374 HE ARG B 100 11.041 17.317 6.305 1.00 2.55 H ATOM 3375 HH11 ARG B 100 11.993 17.304 2.942 1.00 2.78 H ATOM 3376 HH12 ARG B 100 13.237 18.493 3.156 1.00 3.49 H ATOM 3377 HH21 ARG B 100 12.694 18.869 6.613 1.00 3.71 H ATOM 3378 HH22 ARG B 100 13.643 19.376 5.246 1.00 3.93 H ATOM 3379 N PHE B 101 7.952 12.681 2.552 1.00 1.05 N ATOM 3380 CA PHE B 101 7.408 11.394 2.161 1.00 1.01 C ATOM 3381 C PHE B 101 7.830 10.356 3.188 1.00 0.94 C ATOM 3382 O PHE B 101 8.992 9.958 3.231 1.00 0.99 O ATOM 3383 CB PHE B 101 7.892 10.990 0.761 1.00 1.13 C ATOM 3384 CG PHE B 101 7.273 11.788 -0.357 1.00 1.23 C ATOM 3385 CD1 PHE B 101 7.788 13.022 -0.730 1.00 1.70 C ATOM 3386 CD2 PHE B 101 6.173 11.292 -1.042 1.00 1.81 C ATOM 3387 CE1 PHE B 101 7.216 13.743 -1.762 1.00 1.81 C ATOM 3388 CE2 PHE B 101 5.600 12.011 -2.074 1.00 1.98 C ATOM 3389 CZ PHE B 101 6.122 13.237 -2.433 1.00 1.60 C ATOM 3390 H PHE B 101 8.927 12.776 2.651 1.00 1.14 H ATOM 3391 HA PHE B 101 6.328 11.473 2.161 1.00 0.99 H ATOM 3392 HB2 PHE B 101 8.961 11.117 0.705 1.00 1.18 H ATOM 3393 HB3 PHE B 101 7.654 9.951 0.594 1.00 1.18 H ATOM 3394 HD1 PHE B 101 8.645 13.423 -0.206 1.00 2.38 H ATOM 3395 HD2 PHE B 101 5.765 10.333 -0.762 1.00 2.49 H ATOM 3396 HE1 PHE B 101 7.627 14.702 -2.042 1.00 2.48 H ATOM 3397 HE2 PHE B 101 4.743 11.614 -2.598 1.00 2.75 H ATOM 3398 HZ PHE B 101 5.675 13.799 -3.240 1.00 1.78 H ATOM 3399 N ILE B 102 6.890 9.907 4.003 1.00 0.86 N ATOM 3400 CA ILE B 102 7.227 9.055 5.138 1.00 0.79 C ATOM 3401 C ILE B 102 6.702 7.645 4.942 1.00 0.76 C ATOM 3402 O ILE B 102 5.623 7.442 4.395 1.00 0.79 O ATOM 3403 CB ILE B 102 6.674 9.622 6.466 1.00 0.74 C ATOM 3404 CG1 ILE B 102 5.162 9.853 6.377 1.00 0.75 C ATOM 3405 CG2 ILE B 102 7.391 10.911 6.826 1.00 0.80 C ATOM 3406 CD1 ILE B 102 4.527 10.262 7.690 1.00 0.75 C ATOM 3407 H ILE B 102 5.949 10.147 3.836 1.00 0.85 H ATOM 3408 HA ILE B 102 8.304 9.017 5.209 1.00 0.81 H ATOM 3409 HB ILE B 102 6.873 8.902 7.244 1.00 0.70 H ATOM 3410 HG12 ILE B 102 4.967 10.635 5.662 1.00 0.81 H ATOM 3411 HG13 ILE B 102 4.684 8.944 6.047 1.00 0.73 H ATOM 3412 HG21 ILE B 102 7.244 11.638 6.041 1.00 1.26 H ATOM 3413 HG22 ILE B 102 8.447 10.717 6.945 1.00 1.33 H ATOM 3414 HG23 ILE B 102 6.991 11.296 7.754 1.00 1.31 H ATOM 3415 HD11 ILE B 102 4.703 9.493 8.430 1.00 1.24 H ATOM 3416 HD12 ILE B 102 3.464 10.390 7.551 1.00 1.30 H ATOM 3417 HD13 ILE B 102 4.963 11.191 8.027 1.00 1.26 H ATOM 3418 N ARG B 103 7.482 6.677 5.395 1.00 0.74 N ATOM 3419 CA ARG B 103 7.168 5.276 5.165 1.00 0.75 C ATOM 3420 C ARG B 103 6.162 4.760 6.189 1.00 0.68 C ATOM 3421 O ARG B 103 6.360 4.888 7.399 1.00 0.72 O ATOM 3422 CB ARG B 103 8.450 4.429 5.177 1.00 0.85 C ATOM 3423 CG ARG B 103 9.180 4.406 6.510 1.00 0.86 C ATOM 3424 CD ARG B 103 10.602 3.892 6.355 1.00 1.23 C ATOM 3425 NE ARG B 103 11.448 4.848 5.633 1.00 1.99 N ATOM 3426 CZ ARG B 103 12.637 4.544 5.110 1.00 2.70 C ATOM 3427 NH1 ARG B 103 13.106 3.307 5.184 1.00 2.75 N1+ ATOM 3428 NH2 ARG B 103 13.360 5.486 4.517 1.00 3.72 N ATOM 3429 H ARG B 103 8.290 6.913 5.901 1.00 0.75 H ATOM 3430 HA ARG B 103 6.717 5.207 4.183 1.00 0.80 H ATOM 3431 HB2 ARG B 103 8.196 3.411 4.920 1.00 0.90 H ATOM 3432 HB3 ARG B 103 9.128 4.818 4.430 1.00 0.94 H ATOM 3433 HG2 ARG B 103 9.208 5.406 6.913 1.00 1.01 H ATOM 3434 HG3 ARG B 103 8.644 3.760 7.190 1.00 1.00 H ATOM 3435 HD2 ARG B 103 11.023 3.723 7.336 1.00 1.68 H ATOM 3436 HD3 ARG B 103 10.580 2.961 5.806 1.00 1.63 H ATOM 3437 HE ARG B 103 11.116 5.769 5.553 1.00 2.37 H ATOM 3438 HH11 ARG B 103 12.571 2.588 5.630 1.00 2.46 H ATOM 3439 HH12 ARG B 103 14.008 3.082 4.797 1.00 3.38 H ATOM 3440 HH21 ARG B 103 13.017 6.428 4.460 1.00 4.07 H ATOM 3441 HH22 ARG B 103 14.260 5.259 4.126 1.00 4.28 H ATOM 3442 N ILE B 104 5.070 4.204 5.688 1.00 0.65 N ATOM 3443 CA ILE B 104 4.040 3.625 6.537 1.00 0.62 C ATOM 3444 C ILE B 104 3.732 2.194 6.106 1.00 0.65 C ATOM 3445 O ILE B 104 3.956 1.821 4.945 1.00 0.74 O ATOM 3446 CB ILE B 104 2.726 4.442 6.495 1.00 0.64 C ATOM 3447 CG1 ILE B 104 2.175 4.503 5.068 1.00 0.70 C ATOM 3448 CG2 ILE B 104 2.948 5.846 7.041 1.00 0.65 C ATOM 3449 CD1 ILE B 104 0.782 5.084 4.978 1.00 0.83 C ATOM 3450 H ILE B 104 4.947 4.193 4.711 1.00 0.70 H ATOM 3451 HA ILE B 104 4.409 3.618 7.552 1.00 0.61 H ATOM 3452 HB ILE B 104 2.003 3.948 7.129 1.00 0.66 H ATOM 3453 HG12 ILE B 104 2.827 5.115 4.466 1.00 0.75 H ATOM 3454 HG13 ILE B 104 2.146 3.505 4.657 1.00 0.76 H ATOM 3455 HG21 ILE B 104 3.281 5.786 8.066 1.00 1.17 H ATOM 3456 HG22 ILE B 104 2.021 6.398 6.996 1.00 1.25 H ATOM 3457 HG23 ILE B 104 3.695 6.348 6.445 1.00 1.22 H ATOM 3458 HD11 ILE B 104 0.098 4.476 5.550 1.00 1.35 H ATOM 3459 HD12 ILE B 104 0.468 5.106 3.946 1.00 1.36 H ATOM 3460 HD13 ILE B 104 0.786 6.089 5.374 1.00 1.31 H ATOM 3461 N ASP B 105 3.234 1.402 7.054 1.00 0.68 N ATOM 3462 CA ASP B 105 2.793 0.038 6.778 1.00 0.74 C ATOM 3463 C ASP B 105 1.564 0.080 5.883 1.00 0.73 C ATOM 3464 O ASP B 105 0.468 0.405 6.330 1.00 0.82 O ATOM 3465 CB ASP B 105 2.465 -0.708 8.082 1.00 0.91 C ATOM 3466 CG ASP B 105 3.663 -0.841 9.007 1.00 1.11 C ATOM 3467 OD1 ASP B 105 4.405 -1.839 8.896 1.00 1.69 O ATOM 3468 OD2 ASP B 105 3.872 0.057 9.848 1.00 1.68 O1+ ATOM 3469 H ASP B 105 3.156 1.750 7.969 1.00 0.72 H ATOM 3470 HA ASP B 105 3.590 -0.476 6.258 1.00 0.83 H ATOM 3471 HB2 ASP B 105 1.688 -0.170 8.609 1.00 1.15 H ATOM 3472 HB3 ASP B 105 2.108 -1.701 7.840 1.00 1.16 H ATOM 3473 N THR B 106 1.753 -0.241 4.620 1.00 0.83 N ATOM 3474 CA THR B 106 0.714 -0.060 3.624 1.00 0.99 C ATOM 3475 C THR B 106 -0.148 -1.303 3.486 1.00 0.91 C ATOM 3476 O THR B 106 -1.377 -1.226 3.500 1.00 1.02 O ATOM 3477 CB THR B 106 1.353 0.266 2.268 1.00 1.37 C ATOM 3478 OG1 THR B 106 2.545 1.020 2.493 1.00 2.29 O ATOM 3479 CG2 THR B 106 0.405 1.066 1.390 1.00 1.35 C ATOM 3480 H THR B 106 2.622 -0.612 4.344 1.00 0.92 H ATOM 3481 HA THR B 106 0.096 0.775 3.922 1.00 1.10 H ATOM 3482 HB THR B 106 1.602 -0.659 1.765 1.00 2.01 H ATOM 3483 HG1 THR B 106 2.573 1.296 3.418 1.00 2.65 H ATOM 3484 HG21 THR B 106 0.873 1.256 0.435 1.00 1.77 H ATOM 3485 HG22 THR B 106 0.176 2.005 1.870 1.00 1.88 H ATOM 3486 HG23 THR B 106 -0.507 0.506 1.239 1.00 1.82 H ATOM 3487 N ALA B 107 0.501 -2.450 3.361 1.00 0.89 N ATOM 3488 CA ALA B 107 -0.201 -3.703 3.181 1.00 0.95 C ATOM 3489 C ALA B 107 0.575 -4.842 3.815 1.00 0.90 C ATOM 3490 O ALA B 107 1.806 -4.819 3.850 1.00 0.97 O ATOM 3491 CB ALA B 107 -0.421 -3.977 1.700 1.00 1.15 C ATOM 3492 H ALA B 107 1.479 -2.455 3.401 1.00 0.94 H ATOM 3493 HA ALA B 107 -1.166 -3.619 3.658 1.00 1.07 H ATOM 3494 HB1 ALA B 107 -0.973 -4.897 1.584 1.00 1.48 H ATOM 3495 HB2 ALA B 107 0.535 -4.066 1.206 1.00 1.64 H ATOM 3496 HB3 ALA B 107 -0.978 -3.162 1.261 1.00 1.61 H ATOM 3497 N CYS B 108 -0.147 -5.825 4.318 1.00 0.94 N ATOM 3498 CA CYS B 108 0.468 -6.996 4.914 1.00 0.98 C ATOM 3499 C CYS B 108 0.407 -8.149 3.926 1.00 0.94 C ATOM 3500 O CYS B 108 -0.668 -8.675 3.631 1.00 1.05 O ATOM 3501 CB CYS B 108 -0.238 -7.362 6.222 1.00 1.21 C ATOM 3502 SG CYS B 108 0.408 -8.862 7.021 1.00 1.56 S ATOM 3503 H CYS B 108 -1.124 -5.775 4.269 1.00 1.02 H ATOM 3504 HA CYS B 108 1.501 -6.765 5.120 1.00 1.00 H ATOM 3505 HB2 CYS B 108 -0.124 -6.546 6.925 1.00 1.37 H ATOM 3506 HB3 CYS B 108 -1.292 -7.518 6.026 1.00 1.60 H ATOM 3507 N VAL B 109 1.557 -8.520 3.390 1.00 0.88 N ATOM 3508 CA VAL B 109 1.608 -9.501 2.321 1.00 0.90 C ATOM 3509 C VAL B 109 2.297 -10.783 2.770 1.00 0.90 C ATOM 3510 O VAL B 109 3.243 -10.752 3.556 1.00 1.00 O ATOM 3511 CB VAL B 109 2.338 -8.938 1.078 1.00 0.99 C ATOM 3512 CG1 VAL B 109 1.619 -7.706 0.552 1.00 1.04 C ATOM 3513 CG2 VAL B 109 3.790 -8.610 1.397 1.00 1.08 C ATOM 3514 H VAL B 109 2.398 -8.131 3.728 1.00 0.91 H ATOM 3515 HA VAL B 109 0.590 -9.732 2.039 1.00 0.95 H ATOM 3516 HB VAL B 109 2.323 -9.693 0.304 1.00 1.08 H ATOM 3517 HG11 VAL B 109 2.152 -7.317 -0.303 1.00 1.44 H ATOM 3518 HG12 VAL B 109 1.584 -6.954 1.326 1.00 1.46 H ATOM 3519 HG13 VAL B 109 0.614 -7.973 0.260 1.00 1.50 H ATOM 3520 HG21 VAL B 109 4.277 -8.231 0.510 1.00 1.49 H ATOM 3521 HG22 VAL B 109 4.297 -9.503 1.734 1.00 1.50 H ATOM 3522 HG23 VAL B 109 3.829 -7.860 2.174 1.00 1.53 H ATOM 3523 N CYS B 110 1.802 -11.908 2.281 1.00 0.90 N ATOM 3524 CA CYS B 110 2.459 -13.185 2.499 1.00 0.95 C ATOM 3525 C CYS B 110 3.612 -13.333 1.529 1.00 0.96 C ATOM 3526 O CYS B 110 3.401 -13.573 0.338 1.00 0.96 O ATOM 3527 CB CYS B 110 1.482 -14.347 2.315 1.00 0.99 C ATOM 3528 SG CYS B 110 0.233 -14.479 3.627 1.00 1.45 S ATOM 3529 H CYS B 110 0.974 -11.879 1.762 1.00 0.92 H ATOM 3530 HA CYS B 110 2.843 -13.199 3.507 1.00 1.04 H ATOM 3531 HB2 CYS B 110 0.961 -14.230 1.376 1.00 1.18 H ATOM 3532 HB3 CYS B 110 2.035 -15.274 2.293 1.00 1.28 H ATOM 3533 N VAL B 111 4.825 -13.165 2.023 1.00 1.08 N ATOM 3534 CA VAL B 111 5.990 -13.297 1.170 1.00 1.19 C ATOM 3535 C VAL B 111 6.458 -14.744 1.165 1.00 1.23 C ATOM 3536 O VAL B 111 6.313 -15.455 2.165 1.00 1.28 O ATOM 3537 CB VAL B 111 7.143 -12.367 1.607 1.00 1.38 C ATOM 3538 CG1 VAL B 111 6.705 -10.911 1.572 1.00 1.40 C ATOM 3539 CG2 VAL B 111 7.646 -12.735 2.989 1.00 1.52 C ATOM 3540 H VAL B 111 4.941 -12.971 2.985 1.00 1.16 H ATOM 3541 HA VAL B 111 5.694 -13.024 0.166 1.00 1.18 H ATOM 3542 HB VAL B 111 7.959 -12.488 0.909 1.00 1.49 H ATOM 3543 HG11 VAL B 111 7.522 -10.283 1.894 1.00 1.79 H ATOM 3544 HG12 VAL B 111 5.863 -10.774 2.235 1.00 1.74 H ATOM 3545 HG13 VAL B 111 6.420 -10.644 0.565 1.00 1.69 H ATOM 3546 HG21 VAL B 111 7.964 -13.769 2.992 1.00 1.82 H ATOM 3547 HG22 VAL B 111 6.854 -12.599 3.710 1.00 2.00 H ATOM 3548 HG23 VAL B 111 8.482 -12.102 3.246 1.00 1.75 H ATOM 3549 N LEU B 112 6.997 -15.184 0.043 1.00 1.27 N ATOM 3550 CA LEU B 112 7.384 -16.572 -0.110 1.00 1.35 C ATOM 3551 C LEU B 112 8.887 -16.741 0.052 1.00 1.56 C ATOM 3552 O LEU B 112 9.679 -15.930 -0.428 1.00 1.67 O ATOM 3553 CB LEU B 112 6.939 -17.105 -1.476 1.00 1.35 C ATOM 3554 CG LEU B 112 5.429 -17.048 -1.749 1.00 1.24 C ATOM 3555 CD1 LEU B 112 5.120 -17.578 -3.141 1.00 1.41 C ATOM 3556 CD2 LEU B 112 4.656 -17.836 -0.701 1.00 1.22 C ATOM 3557 H LEU B 112 7.143 -14.556 -0.703 1.00 1.31 H ATOM 3558 HA LEU B 112 6.888 -17.137 0.666 1.00 1.33 H ATOM 3559 HB2 LEU B 112 7.442 -16.530 -2.242 1.00 1.45 H ATOM 3560 HB3 LEU B 112 7.257 -18.134 -1.558 1.00 1.44 H ATOM 3561 HG LEU B 112 5.099 -16.019 -1.704 1.00 1.18 H ATOM 3562 HD11 LEU B 112 4.055 -17.546 -3.309 1.00 1.86 H ATOM 3563 HD12 LEU B 112 5.467 -18.597 -3.224 1.00 1.74 H ATOM 3564 HD13 LEU B 112 5.619 -16.966 -3.878 1.00 1.74 H ATOM 3565 HD21 LEU B 112 4.833 -17.411 0.276 1.00 1.60 H ATOM 3566 HD22 LEU B 112 4.980 -18.865 -0.710 1.00 1.63 H ATOM 3567 HD23 LEU B 112 3.600 -17.792 -0.923 1.00 1.57 H ATOM 3568 N SER B 113 9.263 -17.799 0.742 1.00 1.69 N ATOM 3569 CA SER B 113 10.655 -18.132 0.950 1.00 1.94 C ATOM 3570 C SER B 113 10.900 -19.584 0.551 1.00 2.01 C ATOM 3571 O SER B 113 9.989 -20.414 0.600 1.00 2.20 O ATOM 3572 CB SER B 113 11.030 -17.889 2.418 1.00 2.20 C ATOM 3573 OG SER B 113 12.287 -18.463 2.737 1.00 2.62 O ATOM 3574 H SER B 113 8.572 -18.378 1.137 1.00 1.65 H ATOM 3575 HA SER B 113 11.251 -17.490 0.320 1.00 2.14 H ATOM 3576 HB2 SER B 113 11.083 -16.826 2.600 1.00 2.55 H ATOM 3577 HB3 SER B 113 10.277 -18.320 3.058 1.00 2.50 H ATOM 3578 HG SER B 113 12.553 -18.182 3.622 1.00 3.01 H ATOM 3579 N ARG B 114 12.134 -19.885 0.166 1.00 2.21 N ATOM 3580 CA ARG B 114 12.497 -21.207 -0.340 1.00 2.43 C ATOM 3581 C ARG B 114 12.651 -22.224 0.786 1.00 2.31 C ATOM 3582 O ARG B 114 13.126 -23.337 0.559 1.00 2.57 O ATOM 3583 CB ARG B 114 13.790 -21.134 -1.161 1.00 3.05 C ATOM 3584 CG ARG B 114 13.599 -20.568 -2.560 1.00 3.62 C ATOM 3585 CD ARG B 114 12.719 -21.479 -3.402 1.00 4.27 C ATOM 3586 NE ARG B 114 12.597 -21.015 -4.781 1.00 5.02 N ATOM 3587 CZ ARG B 114 12.058 -21.737 -5.761 1.00 5.88 C ATOM 3588 NH1 ARG B 114 11.565 -22.943 -5.509 1.00 6.19 N1+ ATOM 3589 NH2 ARG B 114 12.003 -21.249 -6.994 1.00 6.72 N ATOM 3590 H ARG B 114 12.831 -19.198 0.240 1.00 2.44 H ATOM 3591 HA ARG B 114 11.697 -21.537 -0.986 1.00 2.68 H ATOM 3592 HB2 ARG B 114 14.500 -20.510 -0.638 1.00 3.49 H ATOM 3593 HB3 ARG B 114 14.199 -22.129 -1.251 1.00 3.13 H ATOM 3594 HG2 ARG B 114 13.132 -19.598 -2.489 1.00 3.94 H ATOM 3595 HG3 ARG B 114 14.565 -20.473 -3.037 1.00 3.82 H ATOM 3596 HD2 ARG B 114 13.149 -22.470 -3.405 1.00 4.44 H ATOM 3597 HD3 ARG B 114 11.736 -21.517 -2.959 1.00 4.51 H ATOM 3598 HE ARG B 114 12.944 -20.117 -4.983 1.00 5.12 H ATOM 3599 HH11 ARG B 114 11.595 -23.314 -4.577 1.00 5.79 H ATOM 3600 HH12 ARG B 114 11.168 -23.491 -6.247 1.00 6.99 H ATOM 3601 HH21 ARG B 114 12.366 -20.333 -7.193 1.00 6.79 H ATOM 3602 HH22 ARG B 114 11.599 -21.792 -7.735 1.00 7.45 H ATOM 3603 N LYS B 115 12.263 -21.822 1.997 1.00 2.46 N ATOM 3604 CA LYS B 115 12.337 -22.684 3.178 1.00 3.01 C ATOM 3605 C LYS B 115 13.793 -22.939 3.553 1.00 3.37 C ATOM 3606 O LYS B 115 14.168 -24.045 3.944 1.00 3.90 O ATOM 3607 CB LYS B 115 11.605 -24.022 2.946 1.00 3.35 C ATOM 3608 CG LYS B 115 10.132 -23.876 2.593 1.00 3.43 C ATOM 3609 CD LYS B 115 9.476 -25.231 2.372 1.00 3.91 C ATOM 3610 CE LYS B 115 9.427 -26.059 3.646 1.00 4.19 C ATOM 3611 NZ LYS B 115 8.551 -25.448 4.681 1.00 4.59 N1+ ATOM 3612 H LYS B 115 11.916 -20.910 2.099 1.00 2.53 H ATOM 3613 HA LYS B 115 11.862 -22.160 3.995 1.00 3.22 H ATOM 3614 HB2 LYS B 115 12.088 -24.546 2.135 1.00 3.55 H ATOM 3615 HB3 LYS B 115 11.679 -24.622 3.840 1.00 3.69 H ATOM 3616 HG2 LYS B 115 9.622 -23.368 3.398 1.00 3.54 H ATOM 3617 HG3 LYS B 115 10.047 -23.298 1.687 1.00 3.37 H ATOM 3618 HD2 LYS B 115 8.470 -25.078 2.016 1.00 4.28 H ATOM 3619 HD3 LYS B 115 10.042 -25.772 1.627 1.00 4.13 H ATOM 3620 HE2 LYS B 115 9.051 -27.041 3.406 1.00 4.32 H ATOM 3621 HE3 LYS B 115 10.428 -26.144 4.038 1.00 4.46 H ATOM 3622 HZ1 LYS B 115 8.550 -26.034 5.541 1.00 4.75 H ATOM 3623 HZ2 LYS B 115 7.572 -25.379 4.325 1.00 4.91 H ATOM 3624 HZ3 LYS B 115 8.889 -24.495 4.924 1.00 4.82 H ATOM 3625 N ALA B 116 14.607 -21.901 3.424 1.00 3.52 N ATOM 3626 CA ALA B 116 16.021 -21.986 3.749 1.00 4.10 C ATOM 3627 C ALA B 116 16.455 -20.739 4.506 1.00 4.18 C ATOM 3628 O ALA B 116 15.694 -19.778 4.616 1.00 4.50 O ATOM 3629 CB ALA B 116 16.843 -22.147 2.479 1.00 4.44 C ATOM 3630 H ALA B 116 14.244 -21.047 3.106 1.00 3.54 H ATOM 3631 HA ALA B 116 16.177 -22.854 4.372 1.00 4.60 H ATOM 3632 HB1 ALA B 116 17.887 -22.252 2.737 1.00 4.59 H ATOM 3633 HB2 ALA B 116 16.714 -21.277 1.854 1.00 4.74 H ATOM 3634 HB3 ALA B 116 16.514 -23.026 1.945 1.00 4.70 H ATOM 3635 N THR B 117 17.670 -20.760 5.029 1.00 4.34 N ATOM 3636 CA THR B 117 18.217 -19.618 5.748 1.00 4.73 C ATOM 3637 C THR B 117 19.703 -19.459 5.436 1.00 5.04 C ATOM 3638 O THR B 117 20.254 -20.203 4.623 1.00 5.34 O ATOM 3639 CB THR B 117 18.012 -19.763 7.271 1.00 5.34 C ATOM 3640 OG1 THR B 117 18.271 -21.114 7.673 1.00 5.60 O ATOM 3641 CG2 THR B 117 16.599 -19.368 7.679 1.00 5.74 C ATOM 3642 H THR B 117 18.224 -21.562 4.925 1.00 4.47 H ATOM 3643 HA THR B 117 17.693 -18.733 5.414 1.00 4.85 H ATOM 3644 HB THR B 117 18.709 -19.108 7.774 1.00 5.72 H ATOM 3645 HG1 THR B 117 17.542 -21.675 7.383 1.00 5.83 H ATOM 3646 HG21 THR B 117 16.418 -18.337 7.409 1.00 5.97 H ATOM 3647 HG22 THR B 117 16.486 -19.485 8.747 1.00 5.92 H ATOM 3648 HG23 THR B 117 15.888 -20.003 7.171 1.00 6.02 H ATOM 3649 N ARG B 118 20.344 -18.486 6.066 1.00 5.36 N ATOM 3650 CA ARG B 118 21.760 -18.248 5.847 1.00 6.01 C ATOM 3651 C ARG B 118 22.568 -18.737 7.040 1.00 6.64 C ATOM 3652 O ARG B 118 23.198 -19.804 6.928 1.00 7.08 O ATOM 3653 CB ARG B 118 22.031 -16.760 5.599 1.00 6.11 C ATOM 3654 CG ARG B 118 21.372 -16.207 4.342 1.00 6.31 C ATOM 3655 CD ARG B 118 21.818 -16.956 3.091 1.00 6.92 C ATOM 3656 NE ARG B 118 23.271 -16.921 2.915 1.00 7.31 N ATOM 3657 CZ ARG B 118 23.942 -17.748 2.116 1.00 8.09 C ATOM 3658 NH1 ARG B 118 23.298 -18.671 1.419 1.00 8.54 N1+ ATOM 3659 NH2 ARG B 118 25.261 -17.646 2.014 1.00 8.68 N ATOM 3660 OXT ARG B 118 22.556 -18.061 8.090 1.00 6.99 O ATOM 3661 H ARG B 118 19.856 -17.923 6.705 1.00 5.37 H ATOM 3662 HA ARG B 118 22.058 -18.812 4.977 1.00 6.33 H ATOM 3663 HB2 ARG B 118 21.666 -16.196 6.442 1.00 6.22 H ATOM 3664 HB3 ARG B 118 23.097 -16.610 5.517 1.00 6.34 H ATOM 3665 HG2 ARG B 118 20.302 -16.295 4.440 1.00 6.24 H ATOM 3666 HG3 ARG B 118 21.639 -15.165 4.240 1.00 6.47 H ATOM 3667 HD2 ARG B 118 21.498 -17.985 3.166 1.00 7.17 H ATOM 3668 HD3 ARG B 118 21.352 -16.498 2.229 1.00 7.19 H ATOM 3669 HE ARG B 118 23.770 -16.242 3.425 1.00 7.18 H ATOM 3670 HH11 ARG B 118 22.299 -18.750 1.486 1.00 8.31 H ATOM 3671 HH12 ARG B 118 23.806 -19.297 0.823 1.00 9.25 H ATOM 3672 HH21 ARG B 118 25.758 -16.946 2.537 1.00 8.56 H ATOM 3673 HH22 ARG B 118 25.771 -18.266 1.412 1.00 9.38 H TER 3674 ARG B 118