from __future__ import absolute_import, division, print_function from scitbx.array_family import flex from libtbx import group_args from libtbx.utils import user_plus_sys_time import sys from mmtbx.refinement.real_space import individual_sites import mmtbx from libtbx.test_utils import approx_equal import random pdb_str_1 = """\ CRYST1 44.034 76.843 61.259 90.00 90.00 90.00 P 1 ATOM 1 N ASP L 1 41.447 57.169 45.669 1.00 34.60 N ATOM 2 CA ASP L 1 40.038 57.202 45.296 1.00 33.86 C ATOM 3 C ASP L 1 39.148 56.790 46.463 1.00 34.02 C ATOM 4 O ASP L 1 39.627 56.584 47.579 1.00 32.23 O ATOM 5 CB ASP L 1 39.782 56.293 44.092 1.00 33.99 C ATOM 6 CG ASP L 1 40.582 56.702 42.872 1.00 36.93 C ATOM 7 OD1 ASP L 1 41.690 57.254 43.043 1.00 36.67 O ATOM 8 OD2 ASP L 1 40.104 56.473 41.741 1.00 38.81 O ATOM 9 N VAL L 2 37.851 56.671 46.199 1.00 31.94 N ATOM 10 CA VAL L 2 36.892 56.284 47.227 1.00 29.81 C ATOM 11 C VAL L 2 36.530 54.807 47.114 1.00 28.28 C ATOM 12 O VAL L 2 35.964 54.372 46.111 1.00 27.24 O ATOM 13 CB VAL L 2 35.606 57.127 47.144 1.00 30.66 C ATOM 14 CG1 VAL L 2 34.601 56.664 48.188 1.00 29.42 C ATOM 15 CG2 VAL L 2 35.927 58.603 47.321 1.00 31.43 C ATOM 16 N GLN L 3 36.861 54.041 48.148 1.00 25.93 N ATOM 17 CA GLN L 3 36.573 52.612 48.166 1.00 24.46 C ATOM 18 C GLN L 3 35.111 52.348 48.513 1.00 23.33 C ATOM 19 O GLN L 3 34.627 52.769 49.564 1.00 20.10 O ATOM 20 CB GLN L 3 37.487 51.893 49.160 1.00 29.74 C ATOM 21 CG GLN L 3 37.255 50.393 49.245 1.00 39.72 C ATOM 22 CD GLN L 3 38.179 49.715 50.238 1.00 51.31 C ATOM 23 OE1 GLN L 3 38.121 48.500 50.428 1.00 57.11 O ATOM 24 NE2 GLN L 3 39.037 50.500 50.879 1.00 54.00 N ATOM 25 N MET L 4 34.414 51.648 47.624 1.00 24.27 N ATOM 26 CA MET L 4 33.008 51.326 47.834 1.00 22.89 C ATOM 27 C MET L 4 32.787 49.818 47.865 1.00 21.48 C ATOM 28 O MET L 4 32.978 49.132 46.861 1.00 23.73 O ATOM 29 CB MET L 4 32.143 51.962 46.744 1.00 22.77 C ATOM 30 CG MET L 4 32.234 53.478 46.685 1.00 20.45 C ATOM 31 SD MET L 4 31.709 54.267 48.219 1.00 23.95 S ATOM 32 CE MET L 4 30.016 53.694 48.332 1.00 24.76 C ATOM 33 N THR L 5 32.384 49.307 49.024 1.00 20.55 N ATOM 34 CA THR L 5 32.137 47.880 49.188 1.00 20.64 C ATOM 35 C THR L 5 30.758 47.623 49.787 1.00 20.08 C ATOM 36 O THR L 5 30.470 48.043 50.908 1.00 20.87 O ATOM 37 CB THR L 5 33.205 47.222 50.082 1.00 23.39 C ATOM 38 OG1 THR L 5 34.500 47.405 49.497 1.00 30.91 O ATOM 39 CG2 THR L 5 32.928 45.734 50.235 1.00 26.97 C ATOM 40 N GLN L 6 29.910 46.932 49.033 1.00 21.97 N ATOM 41 CA GLN L 6 28.560 46.619 49.487 1.00 25.11 C ATOM 42 C GLN L 6 28.538 45.331 50.302 1.00 25.56 C ATOM 43 O GLN L 6 29.299 44.401 50.033 1.00 26.32 O ATOM 44 CB GLN L 6 27.607 46.505 48.296 1.00 20.36 C ATOM 45 CG GLN L 6 27.503 47.771 47.461 1.00 21.68 C ATOM 46 CD GLN L 6 26.548 47.622 46.293 1.00 20.77 C ATOM 47 OE1 GLN L 6 26.357 48.553 45.510 1.00 24.00 O ATOM 48 NE2 GLN L 6 25.943 46.447 46.169 1.00 16.25 N ATOM 49 N THR L 7 27.660 45.282 51.299 1.00 27.28 N ATOM 50 CA THR L 7 27.538 44.109 52.157 1.00 29.94 C ATOM 51 C THR L 7 26.089 43.889 52.585 1.00 30.28 C ATOM 52 O THR L 7 25.491 44.753 53.226 1.00 30.65 O ATOM 53 CB THR L 7 28.422 44.233 53.412 1.00 33.05 C ATOM 54 OG1 THR L 7 29.794 44.368 53.022 1.00 36.48 O ATOM 55 CG2 THR L 7 28.269 43.004 54.295 1.00 38.31 C ATOM 56 N PRO L 8 25.520 42.725 52.232 1.00 29.43 N ATOM 57 CA PRO L 8 26.179 41.675 51.448 1.00 27.63 C ATOM 58 C PRO L 8 26.083 41.916 49.943 1.00 27.58 C ATOM 59 O PRO L 8 25.780 43.030 49.515 1.00 28.53 O ATOM 60 CB PRO L 8 25.407 40.419 51.846 1.00 27.24 C ATOM 61 CG PRO L 8 24.029 40.920 52.105 1.00 29.03 C ATOM 62 CD PRO L 8 24.184 42.305 52.692 1.00 28.99 C ATOM 63 N LEU L 9 26.338 40.876 49.156 1.00 27.41 N ATOM 64 CA LEU L 9 26.274 40.980 47.703 1.00 25.92 C ATOM 65 C LEU L 9 25.097 40.188 47.145 1.00 23.43 C ATOM 66 O LEU L 9 24.438 40.621 46.199 1.00 22.17 O ATOM 67 CB LEU L 9 27.581 40.494 47.073 1.00 26.82 C ATOM 68 CG LEU L 9 28.849 41.254 47.468 1.00 33.53 C ATOM 69 CD1 LEU L 9 30.067 40.663 46.777 1.00 35.06 C ATOM 70 CD2 LEU L 9 28.710 42.734 47.147 1.00 36.76 C ATOM 71 N THR L 10 24.838 39.026 47.735 1.00 20.90 N ATOM 72 CA THR L 10 23.740 38.173 47.299 1.00 23.73 C ATOM 73 C THR L 10 22.684 38.031 48.390 1.00 25.10 C ATOM 74 O THR L 10 23.005 37.746 49.544 1.00 24.48 O ATOM 75 CB THR L 10 24.238 36.772 46.895 1.00 23.27 C ATOM 76 OG1 THR L 10 24.872 36.146 48.018 1.00 30.08 O ATOM 77 CG2 THR L 10 25.232 36.871 45.748 1.00 27.84 C ATOM 78 N LEU L 11 21.424 38.231 48.018 1.00 26.12 N ATOM 79 CA LEU L 11 20.320 38.127 48.964 1.00 30.70 C ATOM 80 C LEU L 11 19.036 37.690 48.268 1.00 32.76 C ATOM 81 O LEU L 11 18.621 38.290 47.276 1.00 33.60 O ATOM 82 CB LEU L 11 20.101 39.460 49.682 1.00 33.97 C ATOM 83 CG LEU L 11 18.971 39.499 50.712 1.00 39.69 C ATOM 84 CD1 LEU L 11 19.220 38.487 51.820 1.00 43.19 C ATOM 85 CD2 LEU L 11 18.813 40.899 51.285 1.00 43.64 C ATOM 86 N SER L 12 18.411 36.641 48.793 1.00 31.08 N ATOM 87 CA SER L 12 17.172 36.122 48.224 1.00 30.15 C ATOM 88 C SER L 12 15.954 36.698 48.939 1.00 29.02 C ATOM 89 O SER L 12 15.715 36.406 50.111 1.00 28.74 O ATOM 90 CB SER L 12 17.150 34.594 48.293 1.00 32.01 C ATOM 91 OG SER L 12 15.951 34.077 47.743 1.00 36.13 O ATOM 92 N VAL L 13 15.187 37.516 48.226 1.00 26.21 N ATOM 93 CA VAL L 13 13.995 38.135 48.791 1.00 28.30 C ATOM 94 C VAL L 13 12.731 37.623 48.109 1.00 28.12 C ATOM 95 O VAL L 13 12.554 37.789 46.902 1.00 28.03 O ATOM 96 CB VAL L 13 14.046 39.670 48.671 1.00 28.47 C ATOM 97 CG1 VAL L 13 12.767 40.288 49.216 1.00 31.69 C ATOM 98 CG2 VAL L 13 15.263 40.219 49.399 1.00 29.64 C ATOM 99 N THR L 14 11.854 36.999 48.890 1.00 27.89 N ATOM 100 CA THR L 14 10.605 36.462 48.364 1.00 28.32 C ATOM 101 C THR L 14 9.565 37.562 48.182 1.00 26.52 C ATOM 102 O THR L 14 9.776 38.704 48.591 1.00 25.01 O ATOM 103 CB THR L 14 10.028 35.370 49.284 1.00 28.53 C ATOM 104 OG1 THR L 14 9.757 35.925 50.577 1.00 32.97 O ATOM 105 CG2 THR L 14 11.012 34.219 49.426 1.00 29.78 C ATOM 106 N ILE L 15 8.441 37.211 47.566 1.00 27.49 N ATOM 107 CA ILE L 15 7.366 38.167 47.328 1.00 30.40 C ATOM 108 C ILE L 15 6.549 38.404 48.594 1.00 31.66 C ATOM 109 O ILE L 15 5.902 37.491 49.107 1.00 30.80 O ATOM 110 CB ILE L 15 6.426 37.692 46.204 1.00 33.00 C ATOM 111 CG1 ILE L 15 7.217 37.443 44.918 1.00 34.49 C ATOM 112 CG2 ILE L 15 5.321 38.709 45.968 1.00 31.76 C ATOM 113 CD1 ILE L 15 7.934 38.669 44.395 1.00 35.24 C ATOM 114 N GLY L 16 6.584 39.635 49.092 1.00 33.59 N ATOM 115 CA GLY L 16 5.851 39.993 50.293 1.00 31.81 C ATOM 116 C GLY L 16 6.763 40.448 51.415 1.00 32.58 C ATOM 117 O GLY L 16 6.472 41.422 52.108 1.00 30.43 O ATOM 118 N GLN L 17 7.872 39.737 51.594 1.00 32.24 N ATOM 119 CA GLN L 17 8.835 40.069 52.638 1.00 34.33 C ATOM 120 C GLN L 17 9.671 41.284 52.251 1.00 34.70 C ATOM 121 O GLN L 17 10.146 41.381 51.120 1.00 32.37 O ATOM 122 CB GLN L 17 9.746 38.873 52.925 1.00 37.95 C ATOM 123 CG GLN L 17 9.011 37.627 53.398 1.00 45.88 C ATOM 124 CD GLN L 17 8.386 37.798 54.770 1.00 49.94 C ATOM 125 OE1 GLN L 17 8.791 38.662 55.548 1.00 49.94 O ATOM 126 NE2 GLN L 17 7.392 36.971 55.073 1.00 51.10 N ATOM 127 N PRO L 18 9.852 42.219 53.197 1.00 33.30 N ATOM 128 CA PRO L 18 10.636 43.435 52.960 1.00 32.71 C ATOM 129 C PRO L 18 12.130 43.148 52.836 1.00 30.96 C ATOM 130 O PRO L 18 12.602 42.121 53.321 1.00 30.74 O ATOM 131 CB PRO L 18 10.345 44.284 54.200 1.00 31.82 C ATOM 132 CG PRO L 18 10.030 43.288 55.261 1.00 33.36 C ATOM 133 CD PRO L 18 9.307 42.171 54.565 1.00 34.01 C ATOM 134 N ALA L 19 12.859 44.052 52.190 1.00 28.50 N ATOM 135 CA ALA L 19 14.295 43.888 52.004 1.00 27.23 C ATOM 136 C ALA L 19 15.068 45.035 52.646 1.00 27.07 C ATOM 137 O ALA L 19 14.488 46.055 53.018 1.00 24.32 O ATOM 138 CB ALA L 19 14.630 43.786 50.524 1.00 30.04 C ATOM 139 N SER L 20 16.379 44.861 52.773 1.00 24.81 N ATOM 140 CA SER L 20 17.234 45.880 53.370 1.00 27.97 C ATOM 141 C SER L 20 18.650 45.809 52.809 1.00 26.96 C ATOM 142 O SER L 20 19.479 45.035 53.288 1.00 27.07 O ATOM 143 CB SER L 20 17.262 45.732 54.892 1.00 29.31 C ATOM 144 OG SER L 20 18.090 46.717 55.485 1.00 39.96 O ATOM 145 N ILE L 21 18.921 46.622 51.793 1.00 26.94 N ATOM 146 CA ILE L 21 20.237 46.652 51.166 1.00 26.44 C ATOM 147 C ILE L 21 21.105 47.757 51.759 1.00 24.60 C ATOM 148 O ILE L 21 20.788 48.940 51.640 1.00 22.55 O ATOM 149 CB ILE L 21 20.132 46.856 49.643 1.00 26.88 C ATOM 150 CG1 ILE L 21 19.269 45.760 49.016 1.00 25.90 C ATOM 151 CG2 ILE L 21 21.515 46.879 49.012 1.00 22.24 C ATOM 152 CD1 ILE L 21 19.806 44.362 49.231 1.00 34.36 C ATOM 153 N SER L 22 22.202 47.362 52.397 1.00 24.87 N ATOM 154 CA SER L 22 23.117 48.317 53.010 1.00 25.53 C ATOM 155 C SER L 22 24.200 48.753 52.028 1.00 24.12 C ATOM 156 O SER L 22 24.540 48.021 51.099 1.00 20.85 O ATOM 157 CB SER L 22 23.756 47.717 54.265 1.00 27.44 C ATOM 158 OG SER L 22 22.771 47.372 55.223 1.00 40.03 O ATOM 159 N CYS L 23 24.738 49.950 52.242 1.00 22.21 N ATOM 160 CA CYS L 23 25.782 50.486 51.377 1.00 24.67 C ATOM 161 C CYS L 23 26.707 51.424 52.147 1.00 24.91 C ATOM 162 O CYS L 23 26.394 52.599 52.339 1.00 26.77 O ATOM 163 CB CYS L 23 25.167 51.217 50.183 1.00 27.61 C ATOM 164 SG CYS L 23 26.374 51.926 49.038 1.00 39.58 S ATOM 165 N GLU L 24 27.845 50.896 52.585 1.00 26.57 N ATOM 166 CA GLU L 24 28.816 51.684 53.334 1.00 28.88 C ATOM 167 C GLU L 24 29.855 52.307 52.408 1.00 24.96 C ATOM 168 O GLU L 24 29.969 51.927 51.243 1.00 19.29 O ATOM 169 CB GLU L 24 29.505 50.820 54.392 1.00 37.33 C ATOM 170 CG GLU L 24 28.556 50.216 55.415 1.00 48.95 C ATOM 171 CD GLU L 24 29.274 49.367 56.446 1.00 57.09 C ATOM 172 OE1 GLU L 24 30.515 49.250 56.362 1.00 62.46 O ATOM 173 OE2 GLU L 24 28.598 48.817 57.340 1.00 61.25 O ATOM 174 N SER L 25 30.611 53.265 52.934 1.00 23.05 N ATOM 175 CA SER L 25 31.642 53.942 52.157 1.00 24.10 C ATOM 176 C SER L 25 32.957 54.011 52.927 1.00 23.38 C ATOM 177 O SER L 25 33.137 53.321 53.930 1.00 23.77 O ATOM 178 CB SER L 25 31.184 55.349 51.770 1.00 23.21 C ATOM 179 OG SER L 25 30.915 56.132 52.921 1.00 24.94 O ATOM 180 N SER L 26 33.873 54.848 52.450 1.00 23.43 N ATOM 181 CA SER L 26 35.172 55.009 53.092 1.00 22.76 C ATOM 182 C SER L 26 35.307 56.392 53.721 1.00 25.79 C ATOM 183 O SER L 26 35.257 56.536 54.943 1.00 27.95 O ATOM 184 CB SER L 26 36.300 54.777 52.086 1.00 23.39 C ATOM 185 OG SER L 26 36.224 55.698 51.012 1.00 21.58 O ATOM 186 N GLN L 27 35.478 57.406 52.879 1.00 23.64 N ATOM 187 CA GLN L 27 35.620 58.778 53.351 1.00 24.84 C ATOM 188 C GLN L 27 34.261 59.455 53.493 1.00 25.95 C ATOM 189 O GLN L 27 33.220 58.825 53.310 1.00 26.41 O ATOM 190 CB GLN L 27 36.512 59.581 52.402 1.00 27.09 C ATOM 191 CG GLN L 27 37.920 59.027 52.256 1.00 35.67 C ATOM 192 CD GLN L 27 38.774 59.848 51.310 1.00 38.53 C ATOM 193 OE1 GLN L 27 39.942 59.535 51.079 1.00 43.32 O ATOM 194 NE2 GLN L 27 38.194 60.907 50.756 1.00 40.19 N ATOM 195 N SER L 27A 34.279 60.743 53.820 1.00 21.30 N ATOM 196 CA SER L 27A 33.049 61.508 53.989 1.00 23.38 C ATOM 197 C SER L 27A 32.486 61.952 52.643 1.00 22.05 C ATOM 198 O SER L 27A 33.213 62.469 51.795 1.00 19.83 O ATOM 199 CB SER L 27A 33.294 62.725 54.884 1.00 20.17 C ATOM 200 OG SER L 27A 32.106 63.479 55.055 1.00 24.39 O ATOM 201 N LEU L 27B 31.186 61.748 52.455 1.00 21.73 N ATOM 202 CA LEU L 27B 30.522 62.128 51.214 1.00 20.41 C ATOM 203 C LEU L 27B 29.659 63.370 51.410 1.00 21.13 C ATOM 204 O LEU L 27B 28.569 63.475 50.848 1.00 21.34 O ATOM 205 CB LEU L 27B 29.670 60.973 50.686 1.00 17.54 C ATOM 206 CG LEU L 27B 30.411 59.672 50.369 1.00 21.70 C ATOM 207 CD1 LEU L 27B 29.444 58.613 49.863 1.00 19.78 C ATOM 208 CD2 LEU L 27B 31.521 59.918 49.359 1.00 17.87 C ATOM 209 N LEU L 27C 30.154 64.308 52.210 1.00 19.63 N ATOM 210 CA LEU L 27C 29.428 65.542 52.486 1.00 20.26 C ATOM 211 C LEU L 27C 30.132 66.747 51.870 1.00 20.73 C ATOM 212 O LEU L 27C 31.238 67.105 52.275 1.00 20.62 O ATOM 213 CB LEU L 27C 29.265 65.743 53.994 1.00 22.61 C ATOM 214 CG LEU L 27C 28.521 67.005 54.435 1.00 24.16 C ATOM 215 CD1 LEU L 27C 27.104 67.014 53.883 1.00 24.09 C ATOM 216 CD2 LEU L 27C 28.511 67.120 55.951 1.00 27.61 C ATOM 217 N TYR L 27D 29.484 67.368 50.890 1.00 20.20 N ATOM 218 CA TYR L 27D 30.044 68.536 50.221 1.00 23.42 C ATOM 219 C TYR L 27D 29.845 69.784 51.076 1.00 23.19 C ATOM 220 O TYR L 27D 29.057 69.778 52.023 1.00 23.52 O ATOM 221 CB TYR L 27D 29.406 68.719 48.841 1.00 25.39 C ATOM 222 CG TYR L 27D 30.201 69.600 47.901 1.00 30.37 C ATOM 223 CD1 TYR L 27D 31.334 69.118 47.259 1.00 34.82 C ATOM 224 CD2 TYR L 27D 29.812 70.910 47.648 1.00 33.19 C ATOM 225 CE1 TYR L 27D 32.063 69.917 46.398 1.00 38.04 C ATOM 226 CE2 TYR L 27D 30.535 71.716 46.788 1.00 34.49 C ATOM 227 CZ TYR L 27D 31.658 71.215 46.166 1.00 36.73 C ATOM 228 OH TYR L 27D 32.380 72.014 45.309 1.00 41.25 O ATOM 229 N SER L 27E 30.560 70.853 50.740 1.00 22.89 N ATOM 230 CA SER L 27E 30.491 72.095 51.502 1.00 25.51 C ATOM 231 C SER L 27E 29.239 72.905 51.173 1.00 26.55 C ATOM 232 O SER L 27E 29.012 73.970 51.748 1.00 27.33 O ATOM 233 CB SER L 27E 31.739 72.943 51.248 1.00 22.60 C ATOM 234 OG SER L 27E 31.863 73.270 49.874 1.00 29.11 O ATOM 235 N ASN L 28 28.430 72.399 50.247 1.00 23.50 N ATOM 236 CA ASN L 28 27.201 73.078 49.853 1.00 19.92 C ATOM 237 C ASN L 28 26.135 73.022 50.944 1.00 22.34 C ATOM 238 O ASN L 28 25.381 73.976 51.137 1.00 25.95 O ATOM 239 CB ASN L 28 26.654 72.477 48.556 1.00 19.19 C ATOM 240 CG ASN L 28 26.545 70.964 48.610 1.00 22.32 C ATOM 241 OD1 ASN L 28 26.625 70.359 49.680 1.00 19.98 O ATOM 242 ND2 ASN L 28 26.360 70.344 47.450 1.00 21.69 N ATOM 243 N GLY L 29 26.080 71.900 51.653 1.00 23.30 N ATOM 244 CA GLY L 29 25.111 71.717 52.717 1.00 23.12 C ATOM 245 C GLY L 29 24.424 70.367 52.652 1.00 25.74 C ATOM 246 O GLY L 29 23.881 69.887 53.647 1.00 22.95 O ATOM 247 N LYS L 30 24.449 69.753 51.473 1.00 25.83 N ATOM 248 CA LYS L 30 23.824 68.450 51.275 1.00 26.77 C ATOM 249 C LYS L 30 24.850 67.405 50.849 1.00 26.51 C ATOM 250 O LYS L 30 26.043 67.693 50.758 1.00 24.03 O ATOM 251 CB LYS L 30 22.707 68.545 50.234 1.00 28.32 C ATOM 252 CG LYS L 30 21.590 69.506 50.608 1.00 34.89 C ATOM 253 CD LYS L 30 20.517 69.550 49.532 1.00 43.34 C ATOM 254 CE LYS L 30 19.400 70.511 49.906 1.00 47.80 C ATOM 255 NZ LYS L 30 18.734 70.121 51.180 1.00 45.05 N ATOM 256 N THR L 31 24.377 66.190 50.589 1.00 24.46 N ATOM 257 CA THR L 31 25.252 65.101 50.172 1.00 25.48 C ATOM 258 C THR L 31 24.890 64.606 48.776 1.00 25.18 C ATOM 259 O THR L 31 23.794 64.867 48.279 1.00 22.28 O ATOM 260 CB THR L 31 25.191 63.919 51.158 1.00 27.75 C ATOM 261 OG1 THR L 31 26.063 62.874 50.711 1.00 28.87 O ATOM 262 CG2 THR L 31 23.771 63.380 51.258 1.00 35.45 C ATOM 263 N TYR L 32 25.818 63.892 48.147 1.00 21.74 N ATOM 264 CA TYR L 32 25.600 63.360 46.807 1.00 21.62 C ATOM 265 C TYR L 32 25.519 61.837 46.823 1.00 20.47 C ATOM 266 O TYR L 32 26.464 61.161 47.229 1.00 20.35 O ATOM 267 CB TYR L 32 26.712 63.817 45.860 1.00 25.26 C ATOM 268 CG TYR L 32 26.749 65.311 45.627 1.00 29.46 C ATOM 269 CD1 TYR L 32 25.603 66.084 45.760 1.00 30.70 C ATOM 270 CD2 TYR L 32 27.932 65.948 45.273 1.00 32.63 C ATOM 271 CE1 TYR L 32 25.633 67.450 45.548 1.00 29.14 C ATOM 272 CE2 TYR L 32 27.971 67.313 45.058 1.00 31.78 C ATOM 273 CZ TYR L 32 26.820 68.058 45.197 1.00 32.44 C ATOM 274 OH TYR L 32 26.855 69.417 44.984 1.00 25.41 O ATOM 275 N LEU L 33 24.385 61.305 46.380 1.00 16.46 N ATOM 276 CA LEU L 33 24.182 59.862 46.336 1.00 14.29 C ATOM 277 C LEU L 33 23.183 59.480 45.249 1.00 14.89 C ATOM 278 O LEU L 33 22.050 59.961 45.236 1.00 14.83 O ATOM 279 CB LEU L 33 23.704 59.345 47.694 1.00 19.02 C ATOM 280 CG LEU L 33 23.455 57.839 47.795 1.00 24.27 C ATOM 281 CD1 LEU L 33 24.728 57.063 47.491 1.00 23.06 C ATOM 282 CD2 LEU L 33 22.916 57.474 49.170 1.00 26.31 C ATOM 283 N ASN L 34 23.610 58.611 44.338 1.00 14.89 N ATOM 284 CA ASN L 34 22.755 58.164 43.245 1.00 13.35 C ATOM 285 C ASN L 34 22.675 56.644 43.168 1.00 16.45 C ATOM 286 O ASN L 34 23.662 55.948 43.404 1.00 12.72 O ATOM 287 CB ASN L 34 23.255 58.728 41.914 1.00 17.67 C ATOM 288 CG ASN L 34 23.263 60.244 41.889 1.00 21.95 C ATOM 289 OD1 ASN L 34 22.276 60.876 41.513 1.00 20.35 O ATOM 290 ND2 ASN L 34 24.382 60.836 42.291 1.00 26.68 N ATOM 291 N TRP L 35 21.493 56.135 42.836 1.00 14.93 N ATOM 292 CA TRP L 35 21.282 54.697 42.724 1.00 15.61 C ATOM 293 C TRP L 35 20.956 54.298 41.289 1.00 17.92 C ATOM 294 O TRP L 35 19.937 54.711 40.736 1.00 16.60 O ATOM 295 CB TRP L 35 20.162 54.245 43.663 1.00 16.06 C ATOM 296 CG TRP L 35 20.436 54.535 45.107 1.00 14.52 C ATOM 297 CD1 TRP L 35 20.101 55.666 45.793 1.00 16.42 C ATOM 298 CD2 TRP L 35 21.102 53.680 46.044 1.00 17.46 C ATOM 299 NE1 TRP L 35 20.518 55.568 47.099 1.00 14.83 N ATOM 300 CE2 TRP L 35 21.135 54.358 47.278 1.00 16.93 C ATOM 301 CE3 TRP L 35 21.673 52.407 45.958 1.00 17.09 C ATOM 302 CZ2 TRP L 35 21.716 53.807 48.418 1.00 14.21 C ATOM 303 CZ3 TRP L 35 22.250 51.861 47.091 1.00 21.53 C ATOM 304 CH2 TRP L 35 22.268 52.560 48.304 1.00 18.08 C ATOM 305 N LEU L 36 21.828 53.492 40.691 1.00 16.84 N ATOM 306 CA LEU L 36 21.636 53.039 39.319 1.00 17.45 C ATOM 307 C LEU L 36 21.271 51.560 39.270 1.00 14.78 C ATOM 308 O LEU L 36 21.903 50.732 39.926 1.00 13.21 O ATOM 309 CB LEU L 36 22.896 53.297 38.489 1.00 14.08 C ATOM 310 CG LEU L 36 23.348 54.754 38.376 1.00 21.94 C ATOM 311 CD1 LEU L 36 24.607 54.863 37.529 1.00 23.95 C ATOM 312 CD2 LEU L 36 22.235 55.619 37.803 1.00 22.33 C ATOM 313 N LEU L 37 20.246 51.234 38.489 1.00 13.66 N ATOM 314 CA LEU L 37 19.797 49.854 38.350 1.00 14.99 C ATOM 315 C LEU L 37 19.971 49.361 36.917 1.00 14.95 C ATOM 316 O LEU L 37 19.204 49.728 36.026 1.00 16.53 O ATOM 317 CB LEU L 37 18.335 49.720 38.779 1.00 16.19 C ATOM 318 CG LEU L 37 17.726 48.319 38.688 1.00 14.96 C ATOM 319 CD1 LEU L 37 18.496 47.340 39.562 1.00 17.06 C ATOM 320 CD2 LEU L 37 16.255 48.345 39.072 1.00 18.19 C ATOM 321 N GLN L 38 20.985 48.529 36.702 1.00 14.33 N ATOM 322 CA GLN L 38 21.263 47.987 35.377 1.00 15.88 C ATOM 323 C GLN L 38 20.509 46.682 35.144 1.00 15.91 C ATOM 324 O GLN L 38 20.797 45.666 35.778 1.00 18.08 O ATOM 325 CB GLN L 38 22.766 47.766 35.194 1.00 17.23 C ATOM 326 CG GLN L 38 23.148 47.194 33.839 1.00 15.66 C ATOM 327 CD GLN L 38 24.643 46.986 33.695 1.00 15.82 C ATOM 328 OE1 GLN L 38 25.412 47.269 34.613 1.00 18.16 O ATOM 329 NE2 GLN L 38 25.063 46.489 32.537 1.00 16.89 N ATOM 330 N ARG L 39 19.543 46.717 34.233 1.00 14.18 N ATOM 331 CA ARG L 39 18.750 45.537 33.911 1.00 20.33 C ATOM 332 C ARG L 39 19.387 44.738 32.779 1.00 21.95 C ATOM 333 O ARG L 39 19.758 45.302 31.750 1.00 22.64 O ATOM 334 CB ARG L 39 17.322 45.937 33.535 1.00 19.28 C ATOM 335 CG ARG L 39 16.574 46.673 34.634 1.00 26.32 C ATOM 336 CD ARG L 39 15.164 47.036 34.196 1.00 30.01 C ATOM 337 NE ARG L 39 14.433 47.747 35.240 1.00 37.68 N ATOM 338 CZ ARG L 39 14.427 49.069 35.381 1.00 42.04 C ATOM 339 NH1 ARG L 39 15.115 49.830 34.541 1.00 42.72 N ATOM 340 NH2 ARG L 39 13.732 49.630 36.361 1.00 41.07 N ATOM 341 N PRO L 40 19.519 43.416 32.973 1.00 25.36 N ATOM 342 CA PRO L 40 20.105 42.511 31.977 1.00 26.92 C ATOM 343 C PRO L 40 19.339 42.519 30.657 1.00 27.27 C ATOM 344 O PRO L 40 18.390 41.753 30.490 1.00 29.19 O ATOM 345 CB PRO L 40 20.010 41.138 32.651 1.00 27.23 C ATOM 346 CG PRO L 40 19.940 41.434 34.110 1.00 27.26 C ATOM 347 CD PRO L 40 19.162 42.709 34.214 1.00 24.09 C ATOM 348 N GLY L 41 19.754 43.378 29.731 1.00 28.99 N ATOM 349 CA GLY L 41 19.109 43.473 28.435 1.00 29.79 C ATOM 350 C GLY L 41 18.615 44.874 28.131 1.00 33.61 C ATOM 351 O GLY L 41 18.332 45.206 26.980 1.00 34.06 O ATOM 352 N GLN L 42 18.512 45.699 29.168 1.00 32.20 N ATOM 353 CA GLN L 42 18.046 47.072 29.011 1.00 29.83 C ATOM 354 C GLN L 42 19.101 48.071 29.474 1.00 27.43 C ATOM 355 O GLN L 42 20.199 47.687 29.878 1.00 25.20 O ATOM 356 CB GLN L 42 16.744 47.287 29.784 1.00 30.55 C ATOM 357 CG GLN L 42 15.600 46.391 29.336 1.00 40.46 C ATOM 358 CD GLN L 42 14.325 46.639 30.117 1.00 46.52 C ATOM 359 OE1 GLN L 42 14.277 47.505 30.991 1.00 53.14 O ATOM 360 NE2 GLN L 42 13.282 45.878 29.805 1.00 48.57 N ATOM 361 N SER L 43 18.760 49.354 29.412 1.00 24.38 N ATOM 362 CA SER L 43 19.676 50.412 29.821 1.00 25.35 C ATOM 363 C SER L 43 19.400 50.857 31.254 1.00 22.38 C ATOM 364 O SER L 43 18.242 50.976 31.657 1.00 17.94 O ATOM 365 CB SER L 43 19.572 51.606 28.870 1.00 27.87 C ATOM 366 OG SER L 43 18.259 52.137 28.860 1.00 37.63 O ATOM 367 N PRO L 44 20.469 51.097 32.030 1.00 20.31 N ATOM 368 CA PRO L 44 20.364 51.549 33.422 1.00 20.54 C ATOM 369 C PRO L 44 19.612 52.871 33.553 1.00 20.65 C ATOM 370 O PRO L 44 19.708 53.724 32.671 1.00 17.85 O ATOM 371 CB PRO L 44 21.826 51.712 33.849 1.00 17.98 C ATOM 372 CG PRO L 44 22.589 50.814 32.939 1.00 19.43 C ATOM 373 CD PRO L 44 21.869 50.878 31.627 1.00 22.70 C ATOM 374 N LYS L 45 18.873 53.031 34.646 1.00 17.24 N ATOM 375 CA LYS L 45 18.102 54.246 34.877 1.00 16.32 C ATOM 376 C LYS L 45 18.154 54.662 36.344 1.00 14.58 C ATOM 377 O LYS L 45 17.975 53.837 37.240 1.00 11.26 O ATOM 378 CB LYS L 45 16.649 54.050 34.437 1.00 22.35 C ATOM 379 CG LYS L 45 15.772 55.278 34.619 1.00 28.96 C ATOM 380 CD LYS L 45 14.347 55.010 34.163 1.00 37.31 C ATOM 381 CE LYS L 45 13.469 56.238 34.346 1.00 43.23 C ATOM 382 NZ LYS L 45 13.404 56.667 35.770 1.00 43.54 N ATOM 383 N ARG L 46 18.403 55.946 36.581 1.00 12.76 N ATOM 384 CA ARG L 46 18.472 56.478 37.937 1.00 16.71 C ATOM 385 C ARG L 46 17.093 56.498 38.589 1.00 14.60 C ATOM 386 O ARG L 46 16.125 56.979 38.000 1.00 14.89 O ATOM 387 CB ARG L 46 19.075 57.884 37.931 1.00 14.67 C ATOM 388 CG ARG L 46 19.215 58.508 39.309 1.00 15.93 C ATOM 389 CD ARG L 46 19.843 59.890 39.225 1.00 15.47 C ATOM 390 NE ARG L 46 19.046 60.804 38.411 1.00 16.37 N ATOM 391 CZ ARG L 46 19.371 62.071 38.177 1.00 16.05 C ATOM 392 NH1 ARG L 46 20.480 62.580 38.695 1.00 13.47 N ATOM 393 NH2 ARG L 46 18.586 62.830 37.424 1.00 12.81 N ATOM 394 N LEU L 47 17.011 55.974 39.808 1.00 14.40 N ATOM 395 CA LEU L 47 15.743 55.902 40.526 1.00 15.42 C ATOM 396 C LEU L 47 15.658 56.954 41.627 1.00 18.73 C ATOM 397 O LEU L 47 14.690 57.711 41.700 1.00 19.02 O ATOM 398 CB LEU L 47 15.547 54.506 41.120 1.00 12.06 C ATOM 399 CG LEU L 47 15.521 53.343 40.127 1.00 19.55 C ATOM 400 CD1 LEU L 47 15.321 52.021 40.851 1.00 18.49 C ATOM 401 CD2 LEU L 47 14.437 53.554 39.080 1.00 19.39 C ATOM 402 N ILE L 48 16.673 56.993 42.484 1.00 18.50 N ATOM 403 CA ILE L 48 16.700 57.938 43.596 1.00 16.46 C ATOM 404 C ILE L 48 17.985 58.759 43.603 1.00 16.98 C ATOM 405 O ILE L 48 19.085 58.208 43.656 1.00 14.42 O ATOM 406 CB ILE L 48 16.560 57.218 44.952 1.00 18.05 C ATOM 407 CG1 ILE L 48 15.250 56.428 45.008 1.00 19.86 C ATOM 408 CG2 ILE L 48 16.631 58.217 46.097 1.00 17.08 C ATOM 409 CD1 ILE L 48 15.042 55.681 46.307 1.00 25.31 C ATOM 410 N TYR L 49 17.840 60.079 43.548 1.00 16.21 N ATOM 411 CA TYR L 49 18.987 60.978 43.593 1.00 17.49 C ATOM 412 C TYR L 49 18.893 61.914 44.793 1.00 17.53 C ATOM 413 O TYR L 49 17.800 62.325 45.182 1.00 18.53 O ATOM 414 CB TYR L 49 19.094 61.786 42.296 1.00 15.12 C ATOM 415 CG TYR L 49 17.970 62.776 42.083 1.00 18.97 C ATOM 416 CD1 TYR L 49 16.748 62.368 41.562 1.00 19.08 C ATOM 417 CD2 TYR L 49 18.134 64.120 42.391 1.00 18.51 C ATOM 418 CE1 TYR L 49 15.719 63.270 41.363 1.00 18.77 C ATOM 419 CE2 TYR L 49 17.111 65.029 42.195 1.00 22.10 C ATOM 420 CZ TYR L 49 15.906 64.598 41.681 1.00 22.13 C ATOM 421 OH TYR L 49 14.885 65.499 41.483 1.00 24.02 O ATOM 422 N LEU L 50 20.047 62.238 45.373 1.00 18.75 N ATOM 423 CA LEU L 50 20.135 63.111 46.543 1.00 18.23 C ATOM 424 C LEU L 50 19.308 62.584 47.716 1.00 19.33 C ATOM 425 O LEU L 50 18.764 63.363 48.499 1.00 17.93 O ATOM 426 CB LEU L 50 19.694 64.534 46.188 1.00 20.23 C ATOM 427 CG LEU L 50 20.498 65.238 45.092 1.00 17.31 C ATOM 428 CD1 LEU L 50 19.963 66.640 44.849 1.00 18.72 C ATOM 429 CD2 LEU L 50 21.976 65.278 45.451 1.00 7.48 C ATOM 430 N VAL L 51 19.221 61.259 47.818 1.00 18.13 N ATOM 431 CA VAL L 51 18.526 60.579 48.912 1.00 16.91 C ATOM 432 C VAL L 51 17.064 61.006 49.060 1.00 16.58 C ATOM 433 O VAL L 51 16.152 60.237 48.755 1.00 18.45 O ATOM 434 CB VAL L 51 19.244 60.806 50.259 1.00 22.06 C ATOM 435 CG1 VAL L 51 18.539 60.044 51.372 1.00 16.84 C ATOM 436 CG2 VAL L 51 20.701 60.382 50.160 1.00 19.42 C ATOM 437 N SER L 52 16.850 62.231 49.531 1.00 16.63 N ATOM 438 CA SER L 52 15.507 62.729 49.810 1.00 19.17 C ATOM 439 C SER L 52 14.669 62.895 48.544 1.00 19.81 C ATOM 440 O SER L 52 13.458 62.677 48.561 1.00 21.93 O ATOM 441 CB SER L 52 15.582 64.062 50.558 1.00 20.87 C ATOM 442 OG SER L 52 16.266 65.038 49.792 1.00 21.76 O ATOM 443 N LYS L 53 15.317 63.282 47.451 1.00 20.59 N ATOM 444 CA LYS L 53 14.615 63.517 46.194 1.00 23.42 C ATOM 445 C LYS L 53 14.442 62.230 45.393 1.00 22.07 C ATOM 446 O LYS L 53 15.204 61.278 45.555 1.00 24.54 O ATOM 447 CB LYS L 53 15.357 64.560 45.356 1.00 25.03 C ATOM 448 CG LYS L 53 15.488 65.916 46.031 1.00 29.66 C ATOM 449 CD LYS L 53 16.220 66.909 45.143 1.00 33.90 C ATOM 450 CE LYS L 53 16.349 68.264 45.820 1.00 42.85 C ATOM 451 NZ LYS L 53 17.103 68.176 47.101 1.00 47.15 N ATOM 452 N LEU L 54 13.429 62.208 44.532 1.00 20.82 N ATOM 453 CA LEU L 54 13.162 61.050 43.686 1.00 22.53 C ATOM 454 C LEU L 54 12.902 61.479 42.245 1.00 25.63 C ATOM 455 O LEU L 54 12.550 62.630 41.986 1.00 23.36 O ATOM 456 CB LEU L 54 11.968 60.248 44.216 1.00 24.44 C ATOM 457 CG LEU L 54 12.101 59.532 45.564 1.00 28.62 C ATOM 458 CD1 LEU L 54 11.777 60.461 46.727 1.00 32.75 C ATOM 459 CD2 LEU L 54 11.217 58.294 45.601 1.00 29.37 C ATOM 460 N ASP L 55 13.077 60.549 41.312 1.00 23.13 N ATOM 461 CA ASP L 55 12.839 60.827 39.901 1.00 22.15 C ATOM 462 C ASP L 55 11.387 60.555 39.523 1.00 23.92 C ATOM 463 O ASP L 55 10.555 60.263 40.383 1.00 20.33 O ATOM 464 CB ASP L 55 13.775 59.995 39.022 1.00 19.91 C ATOM 465 CG ASP L 55 15.233 60.358 39.215 1.00 21.77 C ATOM 466 OD1 ASP L 55 15.707 61.299 38.544 1.00 20.55 O ATOM 467 OD2 ASP L 55 15.908 59.702 40.036 1.00 23.10 O ATOM 468 N SER L 56 11.088 60.652 38.231 1.00 26.03 N ATOM 469 CA SER L 56 9.738 60.415 37.736 1.00 31.82 C ATOM 470 C SER L 56 9.505 58.933 37.461 1.00 31.81 C ATOM 471 O SER L 56 10.404 58.228 37.004 1.00 35.23 O ATOM 472 CB SER L 56 9.480 61.232 36.469 1.00 33.67 C ATOM 473 OG SER L 56 9.620 62.619 36.719 1.00 43.12 O ATOM 474 N GLY L 57 8.292 58.467 37.743 1.00 33.54 N ATOM 475 CA GLY L 57 7.942 57.075 37.532 1.00 33.25 C ATOM 476 C GLY L 57 8.536 56.163 38.587 1.00 34.17 C ATOM 477 O GLY L 57 8.756 54.977 38.344 1.00 37.35 O ATOM 478 N VAL L 58 8.795 56.721 39.765 1.00 31.48 N ATOM 479 CA VAL L 58 9.370 55.957 40.866 1.00 26.25 C ATOM 480 C VAL L 58 8.321 55.656 41.933 1.00 29.64 C ATOM 481 O VAL L 58 7.710 56.573 42.482 1.00 28.05 O ATOM 482 CB VAL L 58 10.551 56.704 41.514 1.00 26.35 C ATOM 483 CG1 VAL L 58 11.108 55.904 42.682 1.00 22.70 C ATOM 484 CG2 VAL L 58 11.634 56.977 40.482 1.00 18.63 C ATOM 485 N PRO L 59 8.109 54.363 42.223 1.00 30.43 N ATOM 486 CA PRO L 59 7.141 53.911 43.229 1.00 32.06 C ATOM 487 C PRO L 59 7.443 54.452 44.625 1.00 32.74 C ATOM 488 O PRO L 59 8.575 54.849 44.903 1.00 33.07 O ATOM 489 CB PRO L 59 7.287 52.385 43.197 1.00 33.06 C ATOM 490 CG PRO L 59 7.841 52.086 41.846 1.00 32.07 C ATOM 491 CD PRO L 59 8.752 53.232 41.533 1.00 29.67 C ATOM 492 N ASP L 60 6.434 54.461 45.489 1.00 31.16 N ATOM 493 CA ASP L 60 6.591 54.961 46.850 1.00 32.37 C ATOM 494 C ASP L 60 7.349 53.961 47.720 1.00 30.41 C ATOM 495 O ASP L 60 7.912 54.324 48.753 1.00 27.13 O ATOM 496 CB ASP L 60 5.223 55.269 47.466 1.00 40.86 C ATOM 497 CG ASP L 60 5.330 55.909 48.836 1.00 49.34 C ATOM 498 OD1 ASP L 60 5.322 55.168 49.842 1.00 54.47 O ATOM 499 OD2 ASP L 60 5.421 57.152 48.908 1.00 53.40 O ATOM 500 N ARG L 61 7.362 52.703 47.291 1.00 28.18 N ATOM 501 CA ARG L 61 8.041 51.644 48.029 1.00 26.81 C ATOM 502 C ARG L 61 9.552 51.858 48.052 1.00 24.82 C ATOM 503 O ARG L 61 10.219 51.533 49.034 1.00 24.48 O ATOM 504 CB ARG L 61 7.716 50.278 47.422 1.00 30.87 C ATOM 505 CG ARG L 61 6.234 49.939 47.414 1.00 37.65 C ATOM 506 CD ARG L 61 5.982 48.581 46.780 1.00 39.88 C ATOM 507 NE ARG L 61 6.454 48.526 45.400 1.00 39.46 N ATOM 508 CZ ARG L 61 5.716 48.853 44.344 1.00 36.67 C ATOM 509 NH1 ARG L 61 4.465 49.260 44.508 1.00 43.76 N ATOM 510 NH2 ARG L 61 6.228 48.773 43.124 1.00 32.38 N ATOM 511 N PHE L 62 10.085 52.407 46.965 1.00 21.85 N ATOM 512 CA PHE L 62 11.515 52.673 46.865 1.00 24.54 C ATOM 513 C PHE L 62 11.875 54.002 47.521 1.00 23.56 C ATOM 514 O PHE L 62 11.762 55.061 46.904 1.00 20.33 O ATOM 515 CB PHE L 62 11.961 52.671 45.402 1.00 21.32 C ATOM 516 CG PHE L 62 11.768 51.351 44.711 1.00 24.06 C ATOM 517 CD1 PHE L 62 10.602 51.082 44.013 1.00 25.50 C ATOM 518 CD2 PHE L 62 12.754 50.379 44.759 1.00 26.55 C ATOM 519 CE1 PHE L 62 10.422 49.868 43.376 1.00 24.36 C ATOM 520 CE2 PHE L 62 12.580 49.164 44.124 1.00 25.25 C ATOM 521 CZ PHE L 62 11.413 48.908 43.432 1.00 21.45 C ATOM 522 N THR L 63 12.309 53.938 48.776 1.00 22.89 N ATOM 523 CA THR L 63 12.686 55.135 49.518 1.00 24.67 C ATOM 524 C THR L 63 14.055 54.972 50.170 1.00 22.41 C ATOM 525 O THR L 63 14.250 54.099 51.015 1.00 22.38 O ATOM 526 CB THR L 63 11.648 55.476 50.604 1.00 27.75 C ATOM 527 OG1 THR L 63 10.369 55.691 49.995 1.00 34.04 O ATOM 528 CG2 THR L 63 12.062 56.728 51.362 1.00 30.09 C ATOM 529 N GLY L 64 14.999 55.818 49.772 1.00 23.19 N ATOM 530 CA GLY L 64 16.345 55.769 50.313 1.00 17.74 C ATOM 531 C GLY L 64 16.467 56.506 51.632 1.00 20.94 C ATOM 532 O GLY L 64 15.735 57.461 51.890 1.00 20.63 O ATOM 533 N SER L 65 17.396 56.059 52.470 1.00 20.93 N ATOM 534 CA SER L 65 17.616 56.679 53.772 1.00 20.49 C ATOM 535 C SER L 65 19.082 56.592 54.183 1.00 20.64 C ATOM 536 O SER L 65 19.922 56.108 53.425 1.00 20.55 O ATOM 537 CB SER L 65 16.732 56.023 54.834 1.00 19.60 C ATOM 538 OG SER L 65 17.016 54.639 54.951 1.00 26.02 O ATOM 539 N GLY L 66 19.381 57.063 55.389 1.00 21.77 N ATOM 540 CA GLY L 66 20.739 57.040 55.901 1.00 22.74 C ATOM 541 C GLY L 66 21.403 58.402 55.846 1.00 24.85 C ATOM 542 O GLY L 66 21.006 59.265 55.063 1.00 24.29 O ATOM 543 N SER L 67 22.419 58.594 56.681 1.00 27.01 N ATOM 544 CA SER L 67 23.143 59.858 56.728 1.00 30.72 C ATOM 545 C SER L 67 24.612 59.639 57.075 1.00 29.06 C ATOM 546 O SER L 67 24.977 58.617 57.657 1.00 27.98 O ATOM 547 CB SER L 67 22.500 60.807 57.741 1.00 32.77 C ATOM 548 OG SER L 67 23.195 62.041 57.798 1.00 40.98 O ATOM 549 N GLY L 68 25.451 60.605 56.714 1.00 29.28 N ATOM 550 CA GLY L 68 26.874 60.520 56.985 1.00 28.85 C ATOM 551 C GLY L 68 27.600 59.629 55.996 1.00 29.75 C ATOM 552 O GLY L 68 27.588 59.884 54.792 1.00 32.70 O ATOM 553 N THR L 69 28.234 58.580 56.508 1.00 30.01 N ATOM 554 CA THR L 69 28.971 57.644 55.666 1.00 27.46 C ATOM 555 C THR L 69 28.329 56.261 55.685 1.00 25.79 C ATOM 556 O THR L 69 28.914 55.288 55.210 1.00 24.35 O ATOM 557 CB THR L 69 30.441 57.524 56.109 1.00 27.91 C ATOM 558 OG1 THR L 69 30.499 57.046 57.458 1.00 26.61 O ATOM 559 CG2 THR L 69 31.136 58.874 56.023 1.00 24.72 C ATOM 560 N ASP L 70 27.123 56.181 56.238 1.00 22.97 N ATOM 561 CA ASP L 70 26.401 54.918 56.322 1.00 25.61 C ATOM 562 C ASP L 70 24.998 55.043 55.737 1.00 22.62 C ATOM 563 O ASP L 70 24.150 55.752 56.279 1.00 22.80 O ATOM 564 CB ASP L 70 26.324 54.440 57.773 1.00 28.61 C ATOM 565 CG ASP L 70 27.692 54.219 58.387 1.00 37.03 C ATOM 566 OD1 ASP L 70 28.244 55.174 58.974 1.00 40.10 O ATOM 567 OD2 ASP L 70 28.217 53.090 58.284 1.00 41.86 O ATOM 568 N PHE L 71 24.761 54.351 54.627 1.00 20.71 N ATOM 569 CA PHE L 71 23.461 54.382 53.967 1.00 20.13 C ATOM 570 C PHE L 71 22.896 52.976 53.800 1.00 21.75 C ATOM 571 O PHE L 71 23.636 52.025 53.547 1.00 22.22 O ATOM 572 CB PHE L 71 23.566 55.073 52.606 1.00 19.20 C ATOM 573 CG PHE L 71 24.028 56.500 52.683 1.00 17.28 C ATOM 574 CD1 PHE L 71 23.119 57.527 52.874 1.00 18.11 C ATOM 575 CD2 PHE L 71 25.372 56.815 52.564 1.00 19.84 C ATOM 576 CE1 PHE L 71 23.541 58.841 52.945 1.00 18.03 C ATOM 577 CE2 PHE L 71 25.800 58.127 52.635 1.00 17.27 C ATOM 578 CZ PHE L 71 24.883 59.142 52.825 1.00 18.64 C ATOM 579 N THR L 72 21.581 52.851 53.942 1.00 21.07 N ATOM 580 CA THR L 72 20.915 51.561 53.809 1.00 22.12 C ATOM 581 C THR L 72 19.562 51.704 53.120 1.00 21.14 C ATOM 582 O THR L 72 18.666 52.379 53.626 1.00 22.76 O ATOM 583 CB THR L 72 20.714 50.887 55.179 1.00 24.07 C ATOM 584 OG1 THR L 72 21.985 50.687 55.809 1.00 25.91 O ATOM 585 CG2 THR L 72 20.018 49.544 55.016 1.00 19.04 C ATOM 586 N LEU L 73 19.422 51.064 51.964 1.00 18.96 N ATOM 587 CA LEU L 73 18.177 51.113 51.207 1.00 20.26 C ATOM 588 C LEU L 73 17.182 50.077 51.719 1.00 23.48 C ATOM 589 O LEU L 73 17.481 48.883 51.761 1.00 24.00 O ATOM 590 CB LEU L 73 18.446 50.893 49.717 1.00 20.30 C ATOM 591 CG LEU L 73 17.225 50.912 48.796 1.00 19.01 C ATOM 592 CD1 LEU L 73 16.508 52.251 48.880 1.00 22.55 C ATOM 593 CD2 LEU L 73 17.628 50.603 47.362 1.00 22.81 C ATOM 594 N ARG L 74 15.998 50.540 52.106 1.00 23.90 N ATOM 595 CA ARG L 74 14.961 49.655 52.622 1.00 27.69 C ATOM 596 C ARG L 74 13.739 49.643 51.709 1.00 27.05 C ATOM 597 O ARG L 74 13.220 50.695 51.336 1.00 28.12 O ATOM 598 CB ARG L 74 14.555 50.073 54.036 1.00 33.87 C ATOM 599 CG ARG L 74 15.691 50.035 55.045 1.00 43.57 C ATOM 600 CD ARG L 74 15.218 50.456 56.427 1.00 52.01 C ATOM 601 NE ARG L 74 16.297 50.421 57.409 1.00 59.20 N ATOM 602 CZ ARG L 74 16.152 50.743 58.690 1.00 62.75 C ATOM 603 NH1 ARG L 74 17.189 50.682 59.513 1.00 64.77 N ATOM 604 NH2 ARG L 74 14.968 51.126 59.150 1.00 66.17 N ATOM 605 N ILE L 75 13.285 48.446 51.352 1.00 25.99 N ATOM 606 CA ILE L 75 12.120 48.293 50.489 1.00 27.63 C ATOM 607 C ILE L 75 10.963 47.649 51.247 1.00 27.31 C ATOM 608 O ILE L 75 11.124 46.600 51.869 1.00 28.64 O ATOM 609 CB ILE L 75 12.447 47.445 49.245 1.00 25.47 C ATOM 610 CG1 ILE L 75 13.652 48.029 48.504 1.00 23.16 C ATOM 611 CG2 ILE L 75 11.239 47.360 48.324 1.00 25.23 C ATOM 612 CD1 ILE L 75 14.046 47.249 47.269 1.00 25.74 C ATOM 613 N SER L 76 9.797 48.286 51.190 1.00 28.10 N ATOM 614 CA SER L 76 8.615 47.786 51.883 1.00 28.05 C ATOM 615 C SER L 76 8.098 46.498 51.249 1.00 29.07 C ATOM 616 O SER L 76 7.754 45.546 51.950 1.00 33.00 O ATOM 617 CB SER L 76 7.512 48.846 51.889 1.00 24.33 C ATOM 618 OG SER L 76 7.135 49.198 50.570 1.00 28.42 O ATOM 619 N ARG L 77 8.045 46.475 49.921 1.00 32.79 N ATOM 620 CA ARG L 77 7.563 45.305 49.196 1.00 34.86 C ATOM 621 C ARG L 77 8.258 45.165 47.846 1.00 34.04 C ATOM 622 O ARG L 77 8.320 46.115 47.066 1.00 36.30 O ATOM 623 CB ARG L 77 6.047 45.384 49.003 1.00 39.00 C ATOM 624 CG ARG L 77 5.450 44.188 48.279 1.00 48.60 C ATOM 625 CD ARG L 77 3.938 44.310 48.168 1.00 55.14 C ATOM 626 NE ARG L 77 3.539 45.502 47.425 1.00 59.60 N ATOM 627 CZ ARG L 77 3.332 45.530 46.113 1.00 63.57 C ATOM 628 NH1 ARG L 77 3.486 44.428 45.392 1.00 65.41 N ATOM 629 NH2 ARG L 77 2.970 46.659 45.520 1.00 64.21 N ATOM 630 N VAL L 78 8.780 43.973 47.576 1.00 31.01 N ATOM 631 CA VAL L 78 9.475 43.704 46.323 1.00 30.39 C ATOM 632 C VAL L 78 8.597 42.905 45.365 1.00 27.49 C ATOM 633 O VAL L 78 8.142 41.809 45.694 1.00 27.85 O ATOM 634 CB VAL L 78 10.790 42.938 46.560 1.00 30.51 C ATOM 635 CG1 VAL L 78 11.473 42.632 45.235 1.00 31.54 C ATOM 636 CG2 VAL L 78 11.712 43.734 47.471 1.00 28.69 C ATOM 637 N GLU L 79 8.363 43.460 44.181 1.00 26.98 N ATOM 638 CA GLU L 79 7.546 42.795 43.172 1.00 29.28 C ATOM 639 C GLU L 79 8.384 41.846 42.321 1.00 29.52 C ATOM 640 O GLU L 79 9.494 41.473 42.700 1.00 29.52 O ATOM 641 CB GLU L 79 6.853 43.826 42.279 1.00 30.19 C ATOM 642 CG GLU L 79 5.917 44.764 43.024 1.00 38.46 C ATOM 643 CD GLU L 79 5.235 45.758 42.105 1.00 45.24 C ATOM 644 OE1 GLU L 79 5.525 45.742 40.890 1.00 47.35 O ATOM 645 OE2 GLU L 79 4.409 46.556 42.597 1.00 49.11 O ATOM 646 N ALA L 80 7.845 41.459 41.170 1.00 29.76 N ATOM 647 CA ALA L 80 8.541 40.555 40.263 1.00 29.91 C ATOM 648 C ALA L 80 9.301 41.329 39.192 1.00 29.01 C ATOM 649 O ALA L 80 10.132 40.767 38.478 1.00 25.16 O ATOM 650 CB ALA L 80 7.559 39.587 39.622 1.00 32.00 C ATOM 651 N GLU L 81 9.011 42.621 39.085 1.00 30.57 N ATOM 652 CA GLU L 81 9.666 43.475 38.101 1.00 33.36 C ATOM 653 C GLU L 81 10.717 44.364 38.758 1.00 28.20 C ATOM 654 O GLU L 81 11.197 45.323 38.156 1.00 30.19 O ATOM 655 CB GLU L 81 8.638 44.337 37.361 1.00 39.51 C ATOM 656 CG GLU L 81 7.702 43.562 36.441 1.00 51.62 C ATOM 657 CD GLU L 81 6.610 42.822 37.192 1.00 58.32 C ATOM 658 OE1 GLU L 81 6.442 43.074 38.404 1.00 60.07 O ATOM 659 OE2 GLU L 81 5.920 41.988 36.569 1.00 60.57 O ATOM 660 N ASP L 82 11.069 44.037 39.998 1.00 24.54 N ATOM 661 CA ASP L 82 12.064 44.804 40.738 1.00 22.63 C ATOM 662 C ASP L 82 13.411 44.089 40.754 1.00 22.17 C ATOM 663 O ASP L 82 14.231 44.310 41.644 1.00 21.01 O ATOM 664 CB ASP L 82 11.588 45.059 42.170 1.00 25.45 C ATOM 665 CG ASP L 82 10.288 45.839 42.221 1.00 24.90 C ATOM 666 OD1 ASP L 82 10.037 46.640 41.297 1.00 22.30 O ATOM 667 OD2 ASP L 82 9.519 45.650 43.187 1.00 24.70 O ATOM 668 N LEU L 83 13.632 43.232 39.762 1.00 21.11 N ATOM 669 CA LEU L 83 14.879 42.484 39.660 1.00 21.79 C ATOM 670 C LEU L 83 15.995 43.334 39.060 1.00 18.59 C ATOM 671 O LEU L 83 15.755 44.441 38.578 1.00 15.11 O ATOM 672 CB LEU L 83 14.671 41.212 38.830 1.00 24.29 C ATOM 673 CG LEU L 83 13.729 41.275 37.622 1.00 27.27 C ATOM 674 CD1 LEU L 83 14.345 42.034 36.452 1.00 28.06 C ATOM 675 CD2 LEU L 83 13.316 39.873 37.196 1.00 25.40 C ATOM 676 N GLY L 84 17.216 42.809 39.094 1.00 19.70 N ATOM 677 CA GLY L 84 18.365 43.515 38.557 1.00 17.27 C ATOM 678 C GLY L 84 19.475 43.675 39.577 1.00 17.16 C ATOM 679 O GLY L 84 19.378 43.176 40.698 1.00 16.72 O ATOM 680 N VAL L 85 20.534 44.375 39.186 1.00 16.05 N ATOM 681 CA VAL L 85 21.671 44.604 40.070 1.00 16.03 C ATOM 682 C VAL L 85 21.794 46.078 40.438 1.00 15.07 C ATOM 683 O VAL L 85 21.954 46.934 39.568 1.00 17.13 O ATOM 684 CB VAL L 85 22.989 44.132 39.428 1.00 15.91 C ATOM 685 CG1 VAL L 85 24.162 44.420 40.352 1.00 16.56 C ATOM 686 CG2 VAL L 85 22.916 42.650 39.095 1.00 14.84 C ATOM 687 N TYR L 86 21.717 46.368 41.733 1.00 15.75 N ATOM 688 CA TYR L 86 21.816 47.740 42.219 1.00 16.77 C ATOM 689 C TYR L 86 23.271 48.148 42.428 1.00 18.90 C ATOM 690 O TYR L 86 24.059 47.398 43.003 1.00 23.45 O ATOM 691 CB TYR L 86 21.032 47.905 43.522 1.00 15.76 C ATOM 692 CG TYR L 86 19.553 47.617 43.390 1.00 17.49 C ATOM 693 CD1 TYR L 86 19.049 46.345 43.628 1.00 15.27 C ATOM 694 CD2 TYR L 86 18.661 48.618 43.028 1.00 16.16 C ATOM 695 CE1 TYR L 86 17.698 46.077 43.508 1.00 16.14 C ATOM 696 CE2 TYR L 86 17.309 48.360 42.906 1.00 15.26 C ATOM 697 CZ TYR L 86 16.833 47.089 43.147 1.00 13.24 C ATOM 698 OH TYR L 86 15.487 46.827 43.027 1.00 17.64 O ATOM 699 N TYR L 87 23.619 49.341 41.957 1.00 18.08 N ATOM 700 CA TYR L 87 24.976 49.855 42.098 1.00 14.95 C ATOM 701 C TYR L 87 25.002 51.118 42.951 1.00 17.80 C ATOM 702 O TYR L 87 24.224 52.046 42.727 1.00 16.92 O ATOM 703 CB TYR L 87 25.590 50.136 40.724 1.00 15.51 C ATOM 704 CG TYR L 87 25.735 48.909 39.853 1.00 15.88 C ATOM 705 CD1 TYR L 87 24.733 48.542 38.964 1.00 12.65 C ATOM 706 CD2 TYR L 87 26.875 48.119 39.917 1.00 13.98 C ATOM 707 CE1 TYR L 87 24.861 47.421 38.165 1.00 13.18 C ATOM 708 CE2 TYR L 87 27.013 46.996 39.122 1.00 13.43 C ATOM 709 CZ TYR L 87 26.003 46.653 38.248 1.00 14.55 C ATOM 710 OH TYR L 87 26.136 45.536 37.455 1.00 20.34 O ATOM 711 N CYS L 88 25.900 51.148 43.930 1.00 15.76 N ATOM 712 CA CYS L 88 26.034 52.300 44.813 1.00 22.32 C ATOM 713 C CYS L 88 27.197 53.188 44.383 1.00 17.35 C ATOM 714 O CYS L 88 28.335 52.986 44.807 1.00 17.46 O ATOM 715 CB CYS L 88 26.225 51.846 46.262 1.00 25.30 C ATOM 716 SG CYS L 88 26.380 53.196 47.454 1.00 48.74 S ATOM 717 N VAL L 89 26.903 54.172 43.539 1.00 16.22 N ATOM 718 CA VAL L 89 27.924 55.087 43.044 1.00 16.22 C ATOM 719 C VAL L 89 27.623 56.527 43.456 1.00 19.21 C ATOM 720 O VAL L 89 26.525 57.036 43.226 1.00 18.94 O ATOM 721 CB VAL L 89 28.058 55.001 41.506 1.00 17.57 C ATOM 722 CG1 VAL L 89 26.686 54.976 40.843 1.00 16.58 C ATOM 723 CG2 VAL L 89 28.908 56.146 40.972 1.00 19.58 C ATOM 724 N GLN L 90 28.603 57.176 44.076 1.00 15.38 N ATOM 725 CA GLN L 90 28.450 58.558 44.516 1.00 14.86 C ATOM 726 C GLN L 90 29.154 59.521 43.565 1.00 15.42 C ATOM 727 O GLN L 90 29.808 59.100 42.612 1.00 16.84 O ATOM 728 CB GLN L 90 28.983 58.727 45.942 1.00 12.57 C ATOM 729 CG GLN L 90 30.384 58.169 46.167 1.00 17.62 C ATOM 730 CD GLN L 90 31.480 59.134 45.755 1.00 18.58 C ATOM 731 OE1 GLN L 90 31.252 60.338 45.637 1.00 18.92 O ATOM 732 NE2 GLN L 90 32.679 58.607 45.534 1.00 19.78 N ATOM 733 N GLY L 91 29.015 60.816 43.832 1.00 14.46 N ATOM 734 CA GLY L 91 29.634 61.835 43.005 1.00 17.96 C ATOM 735 C GLY L 91 30.071 63.046 43.806 1.00 19.37 C ATOM 736 O GLY L 91 29.901 64.184 43.370 1.00 25.05 O ATOM 737 N THR L 92 30.637 62.798 44.982 1.00 17.41 N ATOM 738 CA THR L 92 31.100 63.873 45.852 1.00 18.38 C ATOM 739 C THR L 92 32.565 64.203 45.590 1.00 19.60 C ATOM 740 O THR L 92 32.914 65.351 45.314 1.00 20.34 O ATOM 741 CB THR L 92 30.922 63.512 47.338 1.00 15.49 C ATOM 742 OG1 THR L 92 29.539 63.252 47.608 1.00 21.26 O ATOM 743 CG2 THR L 92 31.402 64.651 48.225 1.00 21.66 C ATOM 744 N HIS L 93 33.420 63.189 45.678 1.00 19.71 N ATOM 745 CA HIS L 93 34.850 63.370 45.459 1.00 21.93 C ATOM 746 C HIS L 93 35.195 63.315 43.975 1.00 21.31 C ATOM 747 O HIS L 93 34.315 63.160 43.128 1.00 24.51 O ATOM 748 CB HIS L 93 35.647 62.312 46.224 1.00 22.05 C ATOM 749 CG HIS L 93 35.436 62.349 47.705 1.00 24.92 C ATOM 750 ND1 HIS L 93 36.219 63.107 48.549 1.00 28.88 N ATOM 751 CD2 HIS L 93 34.530 61.724 48.493 1.00 23.28 C ATOM 752 CE1 HIS L 93 35.805 62.946 49.794 1.00 28.99 C ATOM 753 NE2 HIS L 93 34.781 62.111 49.787 1.00 25.25 N ATOM 754 N PHE L 94 36.481 63.443 43.667 1.00 19.99 N ATOM 755 CA PHE L 94 36.947 63.414 42.286 1.00 22.72 C ATOM 756 C PHE L 94 38.084 62.410 42.114 1.00 21.64 C ATOM 757 O PHE L 94 39.046 62.421 42.882 1.00 28.16 O ATOM 758 CB PHE L 94 37.399 64.808 41.844 1.00 25.40 C ATOM 759 CG PHE L 94 37.817 64.884 40.402 1.00 28.81 C ATOM 760 CD1 PHE L 94 39.154 64.809 40.048 1.00 30.47 C ATOM 761 CD2 PHE L 94 36.871 65.031 39.401 1.00 30.95 C ATOM 762 CE1 PHE L 94 39.540 64.879 38.722 1.00 27.48 C ATOM 763 CE2 PHE L 94 37.250 65.102 38.073 1.00 29.08 C ATOM 764 CZ PHE L 94 38.586 65.026 37.734 1.00 26.89 C ATOM 765 N PRO L 95 37.976 61.534 41.102 1.00 19.24 N ATOM 766 CA PRO L 95 36.843 61.461 40.174 1.00 20.09 C ATOM 767 C PRO L 95 35.685 60.630 40.721 1.00 18.33 C ATOM 768 O PRO L 95 35.651 60.330 41.915 1.00 17.07 O ATOM 769 CB PRO L 95 37.454 60.793 38.943 1.00 18.87 C ATOM 770 CG PRO L 95 38.492 59.890 39.512 1.00 15.80 C ATOM 771 CD PRO L 95 39.051 60.597 40.726 1.00 19.88 C ATOM 772 N ARG L 96 34.751 60.264 39.850 1.00 19.22 N ATOM 773 CA ARG L 96 33.597 59.468 40.251 1.00 16.81 C ATOM 774 C ARG L 96 33.960 57.992 40.370 1.00 16.75 C ATOM 775 O ARG L 96 34.486 57.394 39.431 1.00 14.32 O ATOM 776 CB ARG L 96 32.450 59.649 39.255 1.00 20.25 C ATOM 777 CG ARG L 96 31.205 58.844 39.589 1.00 21.91 C ATOM 778 CD ARG L 96 30.107 59.074 38.564 1.00 18.74 C ATOM 779 NE ARG L 96 29.707 60.476 38.496 1.00 29.18 N ATOM 780 CZ ARG L 96 28.742 61.015 39.235 1.00 24.53 C ATOM 781 NH1 ARG L 96 28.074 60.268 40.102 1.00 25.00 N ATOM 782 NH2 ARG L 96 28.446 62.301 39.107 1.00 34.42 N ATOM 783 N THR L 97 33.676 57.409 41.530 1.00 13.95 N ATOM 784 CA THR L 97 33.971 56.002 41.774 1.00 16.33 C ATOM 785 C THR L 97 32.690 55.189 41.925 1.00 16.80 C ATOM 786 O THR L 97 31.786 55.570 42.668 1.00 14.18 O ATOM 787 CB THR L 97 34.838 55.817 43.033 1.00 13.03 C ATOM 788 OG1 THR L 97 34.140 56.326 44.176 1.00 17.02 O ATOM 789 CG2 THR L 97 36.161 56.552 42.883 1.00 15.08 C ATOM 790 N PHE L 98 32.621 54.066 41.216 1.00 16.56 N ATOM 791 CA PHE L 98 31.451 53.198 41.270 1.00 16.71 C ATOM 792 C PHE L 98 31.514 52.261 42.472 1.00 17.49 C ATOM 793 O PHE L 98 32.483 52.273 43.230 1.00 16.40 O ATOM 794 CB PHE L 98 31.325 52.387 39.978 1.00 15.96 C ATOM 795 CG PHE L 98 31.154 53.230 38.747 1.00 16.27 C ATOM 796 CD1 PHE L 98 32.253 53.619 37.999 1.00 20.04 C ATOM 797 CD2 PHE L 98 29.894 53.634 38.337 1.00 11.91 C ATOM 798 CE1 PHE L 98 32.099 54.396 36.865 1.00 15.96 C ATOM 799 CE2 PHE L 98 29.733 54.410 37.205 1.00 17.45 C ATOM 800 CZ PHE L 98 30.837 54.791 36.468 1.00 15.89 C ATOM 801 N GLY L 99 30.474 51.451 42.640 1.00 15.92 N ATOM 802 CA GLY L 99 30.409 50.513 43.744 1.00 15.99 C ATOM 803 C GLY L 99 30.497 49.070 43.287 1.00 19.28 C ATOM 804 O GLY L 99 30.867 48.792 42.146 1.00 16.40 O ATOM 805 N GLY L 100 30.155 48.149 44.182 1.00 15.57 N ATOM 806 CA GLY L 100 30.195 46.732 43.871 1.00 17.20 C ATOM 807 C GLY L 100 29.034 46.297 42.998 1.00 18.45 C ATOM 808 O GLY L 100 29.107 46.369 41.772 1.00 19.07 O ATOM 809 N GLY L 101 27.960 45.842 43.634 1.00 16.21 N ATOM 810 CA GLY L 101 26.781 45.396 42.916 1.00 12.89 C ATOM 811 C GLY L 101 26.022 44.314 43.660 1.00 16.63 C ATOM 812 O GLY L 101 26.571 43.254 43.962 1.00 19.11 O ATOM 813 N THR L 102 24.755 44.583 43.955 1.00 15.99 N ATOM 814 CA THR L 102 23.914 43.627 44.665 1.00 15.79 C ATOM 815 C THR L 102 22.863 43.024 43.739 1.00 17.18 C ATOM 816 O THR L 102 21.932 43.707 43.313 1.00 18.05 O ATOM 817 CB THR L 102 23.210 44.280 45.870 1.00 18.01 C ATOM 818 OG1 THR L 102 24.190 44.808 46.771 1.00 18.32 O ATOM 819 CG2 THR L 102 22.351 43.260 46.602 1.00 19.32 C ATOM 820 N LYS L 103 23.019 41.741 43.431 1.00 19.74 N ATOM 821 CA LYS L 103 22.087 41.045 42.551 1.00 18.89 C ATOM 822 C LYS L 103 20.897 40.497 43.331 1.00 19.24 C ATOM 823 O LYS L 103 21.064 39.757 44.300 1.00 16.37 O ATOM 824 CB LYS L 103 22.797 39.911 41.809 1.00 24.56 C ATOM 825 CG LYS L 103 21.898 39.130 40.864 1.00 27.08 C ATOM 826 CD LYS L 103 22.665 38.022 40.161 1.00 35.16 C ATOM 827 CE LYS L 103 21.766 37.242 39.216 1.00 40.81 C ATOM 828 NZ LYS L 103 20.626 36.606 39.931 1.00 46.41 N ATOM 829 N LEU L 104 19.694 40.865 42.900 1.00 19.61 N ATOM 830 CA LEU L 104 18.473 40.407 43.553 1.00 18.56 C ATOM 831 C LEU L 104 17.835 39.257 42.782 1.00 20.05 C ATOM 832 O LEU L 104 17.481 39.402 41.611 1.00 18.81 O ATOM 833 CB LEU L 104 17.478 41.561 43.696 1.00 19.25 C ATOM 834 CG LEU L 104 16.144 41.226 44.367 1.00 20.38 C ATOM 835 CD1 LEU L 104 16.368 40.715 45.782 1.00 26.95 C ATOM 836 CD2 LEU L 104 15.224 42.437 44.369 1.00 25.45 C ATOM 837 N GLU L 105 17.691 38.114 43.445 1.00 20.23 N ATOM 838 CA GLU L 105 17.099 36.936 42.822 1.00 21.84 C ATOM 839 C GLU L 105 15.834 36.500 43.552 1.00 19.89 C ATOM 840 O GLU L 105 15.847 36.289 44.765 1.00 18.85 O ATOM 841 CB GLU L 105 18.108 35.786 42.786 1.00 22.56 C ATOM 842 CG GLU L 105 17.576 34.514 42.147 1.00 28.91 C ATOM 843 CD GLU L 105 18.602 33.398 42.128 1.00 28.52 C ATOM 844 OE1 GLU L 105 19.731 33.618 42.614 1.00 31.75 O ATOM 845 OE2 GLU L 105 18.279 32.300 41.627 1.00 30.07 O ATOM 846 N ILE L 106 14.742 36.367 42.806 1.00 20.63 N ATOM 847 CA ILE L 106 13.467 35.953 43.379 1.00 20.50 C ATOM 848 C ILE L 106 13.440 34.448 43.626 1.00 23.46 C ATOM 849 O ILE L 106 13.670 33.656 42.712 1.00 25.56 O ATOM 850 CB ILE L 106 12.287 36.337 42.467 1.00 23.28 C ATOM 851 CG1 ILE L 106 12.295 37.842 42.190 1.00 20.53 C ATOM 852 CG2 ILE L 106 10.967 35.914 43.094 1.00 18.46 C ATOM 853 CD1 ILE L 106 12.177 38.693 43.435 1.00 25.40 C ATOM 854 N LYS L 107 13.160 34.061 44.866 1.00 23.70 N ATOM 855 CA LYS L 107 13.104 32.651 45.236 1.00 26.21 C ATOM 856 C LYS L 107 11.890 31.965 44.619 1.00 27.53 C ATOM 857 O LYS L 107 10.752 32.224 45.012 1.00 31.16 O ATOM 858 CB LYS L 107 13.078 32.498 46.758 1.00 30.61 C ATOM 859 CG LYS L 107 13.021 31.056 47.235 1.00 35.39 C ATOM 860 CD LYS L 107 12.995 30.977 48.753 1.00 40.95 C ATOM 861 CE LYS L 107 14.238 31.606 49.361 1.00 46.41 C ATOM 862 NZ LYS L 107 14.227 31.536 50.848 1.00 49.96 N ATOM 863 N ARG L 108 12.140 31.088 43.652 1.00 26.17 N ATOM 864 CA ARG L 108 11.070 30.364 42.977 1.00 23.61 C ATOM 865 C ARG L 108 10.885 28.973 43.577 1.00 20.29 C ATOM 866 O ARG L 108 11.856 28.254 43.811 1.00 16.30 O ATOM 867 CB ARG L 108 11.358 30.258 41.478 1.00 23.68 C ATOM 868 CG ARG L 108 10.277 29.540 40.685 1.00 27.29 C ATOM 869 CD ARG L 108 10.628 29.476 39.207 1.00 19.40 C ATOM 870 NE ARG L 108 9.600 28.788 38.431 1.00 24.12 N ATOM 871 CZ ARG L 108 8.557 29.392 37.872 1.00 23.93 C ATOM 872 NH1 ARG L 108 8.398 30.702 38.002 1.00 20.08 N ATOM 873 NH2 ARG L 108 7.671 28.686 37.183 1.00 22.29 N ATOM 874 N ALA L 109 9.633 28.602 43.825 1.00 18.63 N ATOM 875 CA ALA L 109 9.318 27.299 44.397 1.00 18.59 C ATOM 876 C ALA L 109 9.552 26.181 43.386 1.00 17.80 C ATOM 877 O ALA L 109 9.671 26.431 42.186 1.00 16.24 O ATOM 878 CB ALA L 109 7.881 27.272 44.894 1.00 18.15 C ATOM 879 N ASP L 110 9.617 24.949 43.878 1.00 17.16 N ATOM 880 CA ASP L 110 9.843 23.791 43.021 1.00 19.95 C ATOM 881 C ASP L 110 8.608 23.471 42.186 1.00 19.90 C ATOM 882 O ASP L 110 7.477 23.628 42.647 1.00 19.52 O ATOM 883 CB ASP L 110 10.240 22.574 43.860 1.00 22.52 C ATOM 884 CG ASP L 110 11.506 22.807 44.660 1.00 24.08 C ATOM 885 OD1 ASP L 110 12.369 23.583 44.199 1.00 25.66 O ATOM 886 OD2 ASP L 110 11.639 22.213 45.751 1.00 26.01 O ATOM 887 N ALA L 111 8.832 23.021 40.956 1.00 18.87 N ATOM 888 CA ALA L 111 7.739 22.677 40.054 1.00 14.27 C ATOM 889 C ALA L 111 8.102 21.477 39.186 1.00 15.19 C ATOM 890 O ALA L 111 8.115 20.340 39.657 1.00 16.97 O ATOM 891 CB ALA L 111 7.374 23.871 39.185 1.00 12.29 C ATOM 892 N ALA L 112 8.396 21.737 37.916 1.00 13.07 N ATOM 893 CA ALA L 112 8.758 20.679 36.981 1.00 15.40 C ATOM 894 C ALA L 112 9.691 21.203 35.894 1.00 17.41 C ATOM 895 O ALA L 112 9.339 22.126 35.160 1.00 18.71 O ATOM 896 CB ALA L 112 7.510 20.071 36.360 1.00 16.36 C ATOM 897 N PRO L 113 10.890 20.611 35.790 1.00 16.05 N ATOM 898 CA PRO L 113 11.885 21.012 34.790 1.00 17.58 C ATOM 899 C PRO L 113 11.484 20.604 33.375 1.00 18.90 C ATOM 900 O PRO L 113 10.605 19.759 33.203 1.00 19.53 O ATOM 901 CB PRO L 113 13.146 20.269 35.235 1.00 16.01 C ATOM 902 CG PRO L 113 12.631 19.065 35.942 1.00 18.66 C ATOM 903 CD PRO L 113 11.377 19.510 36.641 1.00 14.79 C ATOM 904 N THR L 114 12.125 21.203 32.377 1.00 18.84 N ATOM 905 CA THR L 114 11.830 20.896 30.983 1.00 20.37 C ATOM 906 C THR L 114 13.109 20.770 30.162 1.00 20.61 C ATOM 907 O THR L 114 13.848 21.740 29.995 1.00 17.94 O ATOM 908 CB THR L 114 10.927 21.971 30.348 1.00 25.95 C ATOM 909 OG1 THR L 114 9.696 22.056 31.075 1.00 34.32 O ATOM 910 CG2 THR L 114 10.631 21.627 28.896 1.00 23.64 C ATOM 911 N VAL L 115 13.364 19.569 29.653 1.00 19.54 N ATOM 912 CA VAL L 115 14.553 19.314 28.849 1.00 17.09 C ATOM 913 C VAL L 115 14.181 18.964 27.412 1.00 17.02 C ATOM 914 O VAL L 115 13.511 17.963 27.160 1.00 16.34 O ATOM 915 CB VAL L 115 15.401 18.174 29.442 1.00 16.92 C ATOM 916 CG1 VAL L 115 16.600 17.886 28.551 1.00 16.49 C ATOM 917 CG2 VAL L 115 15.849 18.524 30.853 1.00 16.78 C ATOM 918 N SER L 116 14.620 19.797 26.473 1.00 19.59 N ATOM 919 CA SER L 116 14.333 19.578 25.061 1.00 17.45 C ATOM 920 C SER L 116 15.602 19.244 24.285 1.00 19.10 C ATOM 921 O SER L 116 16.664 19.813 24.538 1.00 18.10 O ATOM 922 CB SER L 116 13.654 20.809 24.455 1.00 18.92 C ATOM 923 OG SER L 116 12.432 21.093 25.114 1.00 25.77 O ATOM 924 N ILE L 117 15.485 18.318 23.338 1.00 18.19 N ATOM 925 CA ILE L 117 16.621 17.908 22.522 1.00 17.31 C ATOM 926 C ILE L 117 16.210 17.720 21.062 1.00 15.86 C ATOM 927 O ILE L 117 15.214 17.059 20.765 1.00 16.41 O ATOM 928 CB ILE L 117 17.259 16.605 23.061 1.00 16.44 C ATOM 929 CG1 ILE L 117 18.308 16.071 22.083 1.00 15.90 C ATOM 930 CG2 ILE L 117 16.192 15.553 23.340 1.00 14.41 C ATOM 931 CD1 ILE L 117 18.985 14.800 22.547 1.00 21.22 C ATOM 932 N PHE L 118 16.976 18.319 20.156 1.00 14.79 N ATOM 933 CA PHE L 118 16.690 18.224 18.729 1.00 14.46 C ATOM 934 C PHE L 118 17.900 17.706 17.957 1.00 18.29 C ATOM 935 O PHE L 118 19.024 18.153 18.185 1.00 17.68 O ATOM 936 CB PHE L 118 16.258 19.584 18.177 1.00 14.37 C ATOM 937 CG PHE L 118 15.013 20.130 18.817 1.00 17.41 C ATOM 938 CD1 PHE L 118 15.094 20.977 19.911 1.00 15.72 C ATOM 939 CD2 PHE L 118 13.762 19.797 18.326 1.00 20.13 C ATOM 940 CE1 PHE L 118 13.951 21.481 20.502 1.00 17.58 C ATOM 941 CE2 PHE L 118 12.615 20.298 18.912 1.00 21.67 C ATOM 942 CZ PHE L 118 12.709 21.141 20.002 1.00 18.40 C ATOM 943 N PRO L 119 17.668 16.754 17.040 1.00 19.81 N ATOM 944 CA PRO L 119 18.724 16.168 16.205 1.00 18.67 C ATOM 945 C PRO L 119 19.430 17.209 15.341 1.00 19.51 C ATOM 946 O PRO L 119 18.784 18.143 14.866 1.00 19.80 O ATOM 947 CB PRO L 119 17.964 15.163 15.332 1.00 18.85 C ATOM 948 CG PRO L 119 16.728 14.847 16.102 1.00 24.77 C ATOM 949 CD PRO L 119 16.360 16.123 16.794 1.00 19.58 C ATOM 950 N PRO L 120 20.748 17.050 15.145 1.00 20.97 N ATOM 951 CA PRO L 120 21.556 17.964 14.328 1.00 21.56 C ATOM 952 C PRO L 120 21.068 18.045 12.884 1.00 25.06 C ATOM 953 O PRO L 120 20.520 17.073 12.364 1.00 22.77 O ATOM 954 CB PRO L 120 22.958 17.347 14.393 1.00 19.92 C ATOM 955 CG PRO L 120 22.959 16.539 15.645 1.00 24.16 C ATOM 956 CD PRO L 120 21.569 15.996 15.764 1.00 20.72 C ATOM 957 N SER L 121 21.268 19.196 12.251 1.00 26.39 N ATOM 958 CA SER L 121 20.844 19.394 10.870 1.00 29.46 C ATOM 959 C SER L 121 21.827 18.758 9.893 1.00 30.81 C ATOM 960 O SER L 121 22.896 18.293 10.287 1.00 31.79 O ATOM 961 CB SER L 121 20.692 20.886 10.566 1.00 29.86 C ATOM 962 OG SER L 121 21.917 21.573 10.754 1.00 27.09 O ATOM 963 N SER L 122 21.457 18.742 8.616 1.00 32.31 N ATOM 964 CA SER L 122 22.304 18.162 7.581 1.00 34.62 C ATOM 965 C SER L 122 23.197 19.220 6.941 1.00 32.62 C ATOM 966 O SER L 122 24.104 18.900 6.174 1.00 32.68 O ATOM 967 CB SER L 122 21.450 17.479 6.511 1.00 38.34 C ATOM 968 OG SER L 122 20.665 16.440 7.071 1.00 47.42 O ATOM 969 N GLU L 123 22.933 20.483 7.263 1.00 28.22 N ATOM 970 CA GLU L 123 23.713 21.590 6.722 1.00 30.40 C ATOM 971 C GLU L 123 25.080 21.680 7.393 1.00 30.09 C ATOM 972 O GLU L 123 26.057 22.106 6.777 1.00 31.18 O ATOM 973 CB GLU L 123 22.957 22.909 6.889 1.00 33.77 C ATOM 974 CG GLU L 123 21.609 22.946 6.187 1.00 40.35 C ATOM 975 CD GLU L 123 20.890 24.267 6.375 1.00 45.31 C ATOM 976 OE1 GLU L 123 21.444 25.156 7.054 1.00 47.85 O ATOM 977 OE2 GLU L 123 19.769 24.416 5.844 1.00 46.12 O ATOM 978 N GLN L 124 25.140 21.278 8.658 1.00 25.71 N ATOM 979 CA GLN L 124 26.387 21.310 9.413 1.00 25.58 C ATOM 980 C GLN L 124 27.283 20.133 9.040 1.00 23.66 C ATOM 981 O GLN L 124 28.506 20.266 8.979 1.00 22.13 O ATOM 982 CB GLN L 124 26.101 21.301 10.917 1.00 24.39 C ATOM 983 CG GLN L 124 27.343 21.402 11.788 1.00 21.71 C ATOM 984 CD GLN L 124 27.018 21.397 13.269 1.00 20.46 C ATOM 985 OE1 GLN L 124 27.911 21.487 14.112 1.00 22.15 O ATOM 986 NE2 GLN L 124 25.735 21.291 13.594 1.00 14.28 N ATOM 987 N LEU L 125 26.666 18.983 8.787 1.00 27.37 N ATOM 988 CA LEU L 125 27.404 17.780 8.420 1.00 32.30 C ATOM 989 C LEU L 125 27.959 17.880 7.003 1.00 34.69 C ATOM 990 O LEU L 125 28.933 17.210 6.659 1.00 35.46 O ATOM 991 CB LEU L 125 26.510 16.545 8.548 1.00 29.48 C ATOM 992 CG LEU L 125 25.940 16.260 9.938 1.00 26.81 C ATOM 993 CD1 LEU L 125 25.067 15.015 9.916 1.00 27.37 C ATOM 994 CD2 LEU L 125 27.058 16.117 10.959 1.00 26.09 C ATOM 995 N THR L 126 27.332 18.719 6.184 1.00 40.52 N ATOM 996 CA THR L 126 27.764 18.910 4.805 1.00 43.58 C ATOM 997 C THR L 126 29.077 19.682 4.740 1.00 44.41 C ATOM 998 O THR L 126 30.036 19.244 4.104 1.00 48.12 O ATOM 999 CB THR L 126 26.699 19.656 3.979 1.00 44.51 C ATOM 1000 OG1 THR L 126 25.473 18.914 3.993 1.00 41.35 O ATOM 1001 CG2 THR L 126 27.164 19.830 2.541 1.00 46.76 C ATOM 1002 N SER L 127 29.115 20.833 5.404 1.00 42.70 N ATOM 1003 CA SER L 127 30.310 21.668 5.425 1.00 42.23 C ATOM 1004 C SER L 127 31.391 21.062 6.314 1.00 40.37 C ATOM 1005 O SER L 127 32.583 21.245 6.070 1.00 41.28 O ATOM 1006 CB SER L 127 29.968 23.081 5.901 1.00 45.53 C ATOM 1007 OG SER L 127 29.421 23.061 7.208 1.00 45.92 O ATOM 1008 N GLY L 128 30.965 20.341 7.347 1.00 38.21 N ATOM 1009 CA GLY L 128 31.891 19.710 8.268 1.00 35.37 C ATOM 1010 C GLY L 128 31.621 20.085 9.712 1.00 35.07 C ATOM 1011 O GLY L 128 31.335 21.242 10.020 1.00 32.83 O ATOM 1012 N GLY L 129 31.712 19.101 10.601 1.00 33.96 N ATOM 1013 CA GLY L 129 31.479 19.328 12.015 1.00 30.00 C ATOM 1014 C GLY L 129 30.118 18.834 12.465 1.00 27.95 C ATOM 1015 O GLY L 129 29.222 18.623 11.648 1.00 26.40 O ATOM 1016 N ALA L 130 29.964 18.648 13.772 1.00 23.55 N ATOM 1017 CA ALA L 130 28.704 18.178 14.337 1.00 24.62 C ATOM 1018 C ALA L 130 28.487 18.741 15.737 1.00 23.91 C ATOM 1019 O ALA L 130 29.428 18.858 16.522 1.00 24.92 O ATOM 1020 CB ALA L 130 28.671 16.658 14.364 1.00 19.30 C ATOM 1021 N SER L 131 27.241 19.087 16.044 1.00 23.29 N ATOM 1022 CA SER L 131 26.899 19.639 17.349 1.00 19.61 C ATOM 1023 C SER L 131 25.546 19.124 17.829 1.00 20.26 C ATOM 1024 O SER L 131 24.551 19.200 17.108 1.00 24.19 O ATOM 1025 CB SER L 131 26.891 21.169 17.298 1.00 16.15 C ATOM 1026 OG SER L 131 28.163 21.673 16.929 1.00 19.83 O ATOM 1027 N VAL L 132 25.517 18.601 19.050 1.00 19.51 N ATOM 1028 CA VAL L 132 24.287 18.077 19.630 1.00 18.55 C ATOM 1029 C VAL L 132 23.497 19.177 20.330 1.00 20.78 C ATOM 1030 O VAL L 132 23.965 19.766 21.305 1.00 17.15 O ATOM 1031 CB VAL L 132 24.573 16.945 20.634 1.00 19.20 C ATOM 1032 CG1 VAL L 132 23.279 16.457 21.268 1.00 13.22 C ATOM 1033 CG2 VAL L 132 25.303 15.800 19.948 1.00 23.47 C ATOM 1034 N VAL L 133 22.298 19.450 19.827 1.00 18.23 N ATOM 1035 CA VAL L 133 21.444 20.484 20.400 1.00 15.80 C ATOM 1036 C VAL L 133 20.713 19.974 21.637 1.00 15.97 C ATOM 1037 O VAL L 133 19.892 19.060 21.552 1.00 17.77 O ATOM 1038 CB VAL L 133 20.411 20.993 19.377 1.00 13.36 C ATOM 1039 CG1 VAL L 133 19.498 22.029 20.016 1.00 13.68 C ATOM 1040 CG2 VAL L 133 21.112 21.571 18.158 1.00 9.78 C ATOM 1041 N CYS L 134 21.016 20.571 22.785 1.00 17.40 N ATOM 1042 CA CYS L 134 20.384 20.184 24.041 1.00 16.32 C ATOM 1043 C CYS L 134 20.214 21.389 24.960 1.00 15.78 C ATOM 1044 O CYS L 134 21.087 21.689 25.775 1.00 15.24 O ATOM 1045 CB CYS L 134 21.203 19.098 24.741 1.00 20.58 C ATOM 1046 SG CYS L 134 20.490 18.508 26.295 1.00 31.17 S ATOM 1047 N PHE L 135 19.085 22.077 24.822 1.00 18.11 N ATOM 1048 CA PHE L 135 18.804 23.258 25.630 1.00 16.09 C ATOM 1049 C PHE L 135 18.015 22.896 26.884 1.00 18.18 C ATOM 1050 O PHE L 135 17.110 22.062 26.841 1.00 20.13 O ATOM 1051 CB PHE L 135 18.038 24.299 24.810 1.00 18.31 C ATOM 1052 CG PHE L 135 18.814 24.846 23.646 1.00 20.82 C ATOM 1053 CD1 PHE L 135 20.199 24.863 23.664 1.00 19.63 C ATOM 1054 CD2 PHE L 135 18.158 25.344 22.532 1.00 21.88 C ATOM 1055 CE1 PHE L 135 20.915 25.366 22.594 1.00 20.73 C ATOM 1056 CE2 PHE L 135 18.868 25.849 21.459 1.00 25.03 C ATOM 1057 CZ PHE L 135 20.249 25.860 21.490 1.00 22.78 C ATOM 1058 N LEU L 136 18.363 23.530 27.999 1.00 13.63 N ATOM 1059 CA LEU L 136 17.684 23.283 29.266 1.00 17.06 C ATOM 1060 C LEU L 136 16.971 24.540 29.754 1.00 16.06 C ATOM 1061 O LEU L 136 17.604 25.562 30.017 1.00 14.67 O ATOM 1062 CB LEU L 136 18.673 22.794 30.329 1.00 18.25 C ATOM 1063 CG LEU L 136 19.189 21.353 30.239 1.00 21.45 C ATOM 1064 CD1 LEU L 136 20.237 21.191 29.145 1.00 21.34 C ATOM 1065 CD2 LEU L 136 19.742 20.901 31.584 1.00 24.55 C ATOM 1066 N ASN L 137 15.650 24.457 29.872 1.00 16.52 N ATOM 1067 CA ASN L 137 14.849 25.589 30.323 1.00 18.54 C ATOM 1068 C ASN L 137 14.071 25.270 31.595 1.00 19.47 C ATOM 1069 O ASN L 137 13.891 24.102 31.943 1.00 18.01 O ATOM 1070 CB ASN L 137 13.886 26.031 29.220 1.00 20.96 C ATOM 1071 CG ASN L 137 14.604 26.455 27.954 1.00 23.88 C ATOM 1072 OD1 ASN L 137 15.731 26.949 28.002 1.00 26.18 O ATOM 1073 ND2 ASN L 137 13.954 26.265 26.812 1.00 26.70 N ATOM 1074 N ASN L 138 13.617 26.319 32.277 1.00 17.59 N ATOM 1075 CA ASN L 138 12.849 26.193 33.514 1.00 18.38 C ATOM 1076 C ASN L 138 13.568 25.365 34.575 1.00 19.05 C ATOM 1077 O ASN L 138 13.194 24.223 34.843 1.00 15.36 O ATOM 1078 CB ASN L 138 11.472 25.586 33.227 1.00 18.43 C ATOM 1079 CG ASN L 138 10.653 26.428 32.268 1.00 22.22 C ATOM 1080 OD1 ASN L 138 10.718 26.246 31.052 1.00 22.47 O ATOM 1081 ND2 ASN L 138 9.876 27.358 32.812 1.00 22.19 N ATOM 1082 N PHE L 139 14.600 25.948 35.175 1.00 14.98 N ATOM 1083 CA PHE L 139 15.366 25.269 36.213 1.00 14.11 C ATOM 1084 C PHE L 139 15.725 26.224 37.347 1.00 15.67 C ATOM 1085 O PHE L 139 15.926 27.418 37.125 1.00 14.51 O ATOM 1086 CB PHE L 139 16.635 24.643 35.624 1.00 17.14 C ATOM 1087 CG PHE L 139 17.542 25.629 34.940 1.00 16.17 C ATOM 1088 CD1 PHE L 139 18.571 26.244 35.634 1.00 13.43 C ATOM 1089 CD2 PHE L 139 17.370 25.935 33.600 1.00 15.00 C ATOM 1090 CE1 PHE L 139 19.407 27.149 35.007 1.00 13.20 C ATOM 1091 CE2 PHE L 139 18.202 26.839 32.967 1.00 17.22 C ATOM 1092 CZ PHE L 139 19.222 27.446 33.672 1.00 15.06 C ATOM 1093 N TYR L 140 15.803 25.690 38.561 1.00 14.36 N ATOM 1094 CA TYR L 140 16.123 26.494 39.734 1.00 14.95 C ATOM 1095 C TYR L 140 16.901 25.675 40.761 1.00 15.08 C ATOM 1096 O TYR L 140 16.507 24.557 41.092 1.00 16.18 O ATOM 1097 CB TYR L 140 14.846 27.058 40.361 1.00 14.28 C ATOM 1098 CG TYR L 140 15.087 27.976 41.539 1.00 13.36 C ATOM 1099 CD1 TYR L 140 15.017 27.501 42.842 1.00 17.13 C ATOM 1100 CD2 TYR L 140 15.382 29.320 41.347 1.00 17.19 C ATOM 1101 CE1 TYR L 140 15.236 28.338 43.921 1.00 14.54 C ATOM 1102 CE2 TYR L 140 15.603 30.164 42.419 1.00 19.10 C ATOM 1103 CZ TYR L 140 15.529 29.668 43.703 1.00 20.15 C ATOM 1104 OH TYR L 140 15.748 30.504 44.774 1.00 20.14 O ATOM 1105 N PRO L 141 18.012 26.231 41.270 1.00 15.78 N ATOM 1106 CA PRO L 141 18.540 27.546 40.893 1.00 17.30 C ATOM 1107 C PRO L 141 19.456 27.487 39.673 1.00 15.63 C ATOM 1108 O PRO L 141 19.245 26.668 38.778 1.00 12.76 O ATOM 1109 CB PRO L 141 19.321 27.967 42.135 1.00 17.74 C ATOM 1110 CG PRO L 141 19.833 26.677 42.679 1.00 22.02 C ATOM 1111 CD PRO L 141 18.774 25.638 42.383 1.00 16.48 C ATOM 1112 N LYS L 142 20.465 28.352 39.647 1.00 18.47 N ATOM 1113 CA LYS L 142 21.411 28.398 38.538 1.00 18.85 C ATOM 1114 C LYS L 142 22.311 27.167 38.527 1.00 15.52 C ATOM 1115 O LYS L 142 22.594 26.602 37.470 1.00 16.21 O ATOM 1116 CB LYS L 142 22.259 29.670 38.612 1.00 25.85 C ATOM 1117 CG LYS L 142 23.269 29.812 37.485 1.00 32.81 C ATOM 1118 CD LYS L 142 24.083 31.088 37.632 1.00 38.93 C ATOM 1119 CE LYS L 142 25.097 31.230 36.509 1.00 42.09 C ATOM 1120 NZ LYS L 142 24.442 31.281 35.173 1.00 47.87 N ATOM 1121 N ASP L 143 22.757 26.756 39.710 1.00 15.98 N ATOM 1122 CA ASP L 143 23.627 25.593 39.840 1.00 19.76 C ATOM 1123 C ASP L 143 22.868 24.300 39.561 1.00 20.48 C ATOM 1124 O ASP L 143 21.918 23.961 40.267 1.00 18.29 O ATOM 1125 CB ASP L 143 24.251 25.545 41.236 1.00 22.61 C ATOM 1126 CG ASP L 143 25.087 26.772 41.543 1.00 26.06 C ATOM 1127 OD1 ASP L 143 26.301 26.754 41.251 1.00 24.44 O ATOM 1128 OD2 ASP L 143 24.530 27.754 42.076 1.00 29.19 O ATOM 1129 N ILE L 144 23.294 23.581 38.527 1.00 16.19 N ATOM 1130 CA ILE L 144 22.657 22.325 38.152 1.00 19.42 C ATOM 1131 C ILE L 144 23.689 21.309 37.664 1.00 21.24 C ATOM 1132 O ILE L 144 24.542 21.622 36.832 1.00 21.92 O ATOM 1133 CB ILE L 144 21.579 22.544 37.064 1.00 19.92 C ATOM 1134 CG1 ILE L 144 21.063 21.204 36.534 1.00 20.37 C ATOM 1135 CG2 ILE L 144 22.121 23.404 35.928 1.00 22.23 C ATOM 1136 CD1 ILE L 144 19.997 21.337 35.468 1.00 20.41 C ATOM 1137 N ASN L 145 23.615 20.094 38.198 1.00 23.65 N ATOM 1138 CA ASN L 145 24.541 19.033 37.821 1.00 27.30 C ATOM 1139 C ASN L 145 24.243 18.485 36.430 1.00 26.78 C ATOM 1140 O ASN L 145 23.340 17.667 36.256 1.00 26.72 O ATOM 1141 CB ASN L 145 24.500 17.901 38.850 1.00 36.37 C ATOM 1142 CG ASN L 145 25.469 16.781 38.525 1.00 45.62 C ATOM 1143 OD1 ASN L 145 26.647 16.842 38.878 1.00 51.88 O ATOM 1144 ND2 ASN L 145 24.976 15.749 37.851 1.00 51.20 N ATOM 1145 N VAL L 146 25.008 18.941 35.444 1.00 23.67 N ATOM 1146 CA VAL L 146 24.829 18.496 34.067 1.00 24.32 C ATOM 1147 C VAL L 146 26.053 17.735 33.570 1.00 24.18 C ATOM 1148 O VAL L 146 27.145 18.294 33.467 1.00 26.85 O ATOM 1149 CB VAL L 146 24.554 19.681 33.122 1.00 24.76 C ATOM 1150 CG1 VAL L 146 24.433 19.196 31.685 1.00 24.31 C ATOM 1151 CG2 VAL L 146 23.296 20.420 33.550 1.00 24.43 C ATOM 1152 N LYS L 147 25.864 16.455 33.263 1.00 22.48 N ATOM 1153 CA LYS L 147 26.952 15.616 32.776 1.00 28.63 C ATOM 1154 C LYS L 147 26.654 15.084 31.378 1.00 26.89 C ATOM 1155 O LYS L 147 25.523 15.167 30.900 1.00 25.73 O ATOM 1156 CB LYS L 147 27.204 14.453 33.738 1.00 33.35 C ATOM 1157 CG LYS L 147 27.591 14.883 35.143 1.00 42.63 C ATOM 1158 CD LYS L 147 27.828 13.680 36.043 1.00 49.12 C ATOM 1159 CE LYS L 147 28.217 14.111 37.448 1.00 52.65 C ATOM 1160 NZ LYS L 147 28.453 12.943 38.341 1.00 57.07 N ATOM 1161 N TRP L 148 27.677 14.540 30.727 1.00 22.69 N ATOM 1162 CA TRP L 148 27.527 13.996 29.382 1.00 19.52 C ATOM 1163 C TRP L 148 28.149 12.608 29.274 1.00 21.40 C ATOM 1164 O TRP L 148 29.369 12.456 29.350 1.00 21.95 O ATOM 1165 CB TRP L 148 28.156 14.935 28.351 1.00 18.93 C ATOM 1166 CG TRP L 148 27.535 16.298 28.322 1.00 16.05 C ATOM 1167 CD1 TRP L 148 27.905 17.384 29.061 1.00 15.60 C ATOM 1168 CD2 TRP L 148 26.431 16.721 27.512 1.00 15.47 C ATOM 1169 NE1 TRP L 148 27.101 18.457 28.762 1.00 17.97 N ATOM 1170 CE2 TRP L 148 26.188 18.076 27.813 1.00 16.42 C ATOM 1171 CE3 TRP L 148 25.626 16.086 26.562 1.00 16.97 C ATOM 1172 CZ2 TRP L 148 25.173 18.807 27.199 1.00 15.78 C ATOM 1173 CZ3 TRP L 148 24.619 16.814 25.952 1.00 17.54 C ATOM 1174 CH2 TRP L 148 24.402 18.160 26.273 1.00 17.61 C ATOM 1175 N LYS L 149 27.304 11.598 29.096 1.00 17.84 N ATOM 1176 CA LYS L 149 27.769 10.222 28.970 1.00 19.97 C ATOM 1177 C LYS L 149 27.434 9.652 27.596 1.00 19.33 C ATOM 1178 O LYS L 149 26.309 9.214 27.353 1.00 18.65 O ATOM 1179 CB LYS L 149 27.158 9.347 30.067 1.00 22.42 C ATOM 1180 CG LYS L 149 27.507 9.788 31.479 1.00 28.84 C ATOM 1181 CD LYS L 149 26.870 8.875 32.515 1.00 32.85 C ATOM 1182 CE LYS L 149 27.221 9.314 33.927 1.00 37.81 C ATOM 1183 NZ LYS L 149 26.604 8.429 34.953 1.00 41.47 N ATOM 1184 N ILE L 150 28.417 9.660 26.702 1.00 17.42 N ATOM 1185 CA ILE L 150 28.225 9.151 25.349 1.00 20.99 C ATOM 1186 C ILE L 150 28.717 7.712 25.224 1.00 21.56 C ATOM 1187 O ILE L 150 29.910 7.442 25.371 1.00 20.44 O ATOM 1188 CB ILE L 150 28.953 10.023 24.310 1.00 21.07 C ATOM 1189 CG1 ILE L 150 28.481 11.475 24.408 1.00 20.67 C ATOM 1190 CG2 ILE L 150 28.730 9.478 22.907 1.00 22.97 C ATOM 1191 CD1 ILE L 150 29.156 12.405 23.423 1.00 21.43 C ATOM 1192 N ASP L 151 27.784 6.801 24.954 1.00 21.23 N ATOM 1193 CA ASP L 151 28.082 5.379 24.792 1.00 21.70 C ATOM 1194 C ASP L 151 28.803 4.800 26.007 1.00 21.71 C ATOM 1195 O ASP L 151 29.738 4.011 25.867 1.00 21.00 O ATOM 1196 CB ASP L 151 28.915 5.145 23.528 1.00 18.71 C ATOM 1197 CG ASP L 151 28.206 5.605 22.270 1.00 21.03 C ATOM 1198 OD1 ASP L 151 26.958 5.566 22.240 1.00 17.93 O ATOM 1199 OD2 ASP L 151 28.896 6.007 21.310 1.00 19.26 O ATOM 1200 N GLY L 152 28.364 5.198 27.196 1.00 19.40 N ATOM 1201 CA GLY L 152 28.959 4.717 28.429 1.00 18.40 C ATOM 1202 C GLY L 152 30.070 5.616 28.934 1.00 21.91 C ATOM 1203 O GLY L 152 30.110 5.967 30.113 1.00 22.54 O ATOM 1204 N SER L 153 30.977 5.990 28.036 1.00 21.41 N ATOM 1205 CA SER L 153 32.100 6.849 28.392 1.00 23.78 C ATOM 1206 C SER L 153 31.643 8.283 28.637 1.00 23.93 C ATOM 1207 O SER L 153 30.734 8.778 27.970 1.00 25.28 O ATOM 1208 CB SER L 153 33.167 6.817 27.296 1.00 26.71 C ATOM 1209 OG SER L 153 34.264 7.649 27.629 1.00 33.36 O ATOM 1210 N GLU L 154 32.280 8.946 29.597 1.00 23.42 N ATOM 1211 CA GLU L 154 31.941 10.324 29.932 1.00 27.46 C ATOM 1212 C GLU L 154 32.809 11.309 29.156 1.00 28.73 C ATOM 1213 O GLU L 154 34.036 11.281 29.254 1.00 23.48 O ATOM 1214 CB GLU L 154 32.091 10.562 31.436 1.00 30.72 C ATOM 1215 CG GLU L 154 31.756 11.978 31.876 1.00 40.94 C ATOM 1216 CD GLU L 154 31.913 12.175 33.371 1.00 44.76 C ATOM 1217 OE1 GLU L 154 32.286 11.205 34.065 1.00 47.13 O ATOM 1218 OE2 GLU L 154 31.664 13.300 33.853 1.00 48.44 O ATOM 1219 N ARG L 155 32.163 12.180 28.386 1.00 28.39 N ATOM 1220 CA ARG L 155 32.874 13.175 27.593 1.00 31.83 C ATOM 1221 C ARG L 155 32.664 14.578 28.152 1.00 35.20 C ATOM 1222 O ARG L 155 31.551 15.105 28.131 1.00 36.17 O ATOM 1223 CB ARG L 155 32.423 13.118 26.132 1.00 35.82 C ATOM 1224 CG ARG L 155 33.119 14.122 25.228 1.00 39.58 C ATOM 1225 CD ARG L 155 34.622 13.899 25.208 1.00 44.28 C ATOM 1226 NE ARG L 155 34.971 12.566 24.723 1.00 50.36 N ATOM 1227 CZ ARG L 155 35.193 12.270 23.446 1.00 51.58 C ATOM 1228 NH1 ARG L 155 35.103 13.214 22.519 1.00 53.09 N ATOM 1229 NH2 ARG L 155 35.505 11.030 23.096 1.00 49.31 N ATOM 1230 N GLN L 156 33.739 15.179 28.651 1.00 36.90 N ATOM 1231 CA GLN L 156 33.674 16.521 29.217 1.00 41.03 C ATOM 1232 C GLN L 156 34.561 17.490 28.443 1.00 40.56 C ATOM 1233 O GLN L 156 34.831 18.600 28.900 1.00 41.63 O ATOM 1234 CB GLN L 156 34.079 16.501 30.693 1.00 46.15 C ATOM 1235 CG GLN L 156 33.200 15.622 31.570 1.00 54.47 C ATOM 1236 CD GLN L 156 31.790 16.163 31.719 1.00 60.74 C ATOM 1237 OE1 GLN L 156 30.839 15.404 31.902 1.00 63.89 O ATOM 1238 NE2 GLN L 156 31.650 17.482 31.651 1.00 61.58 N ATOM 1239 N ASN L 157 35.012 17.062 27.268 1.00 40.13 N ATOM 1240 CA ASN L 157 35.869 17.890 26.428 1.00 39.57 C ATOM 1241 C ASN L 157 35.092 18.548 25.294 1.00 37.34 C ATOM 1242 O ASN L 157 34.385 17.877 24.541 1.00 35.32 O ATOM 1243 CB ASN L 157 37.019 17.058 25.858 1.00 44.69 C ATOM 1244 CG ASN L 157 37.893 16.454 26.939 1.00 53.16 C ATOM 1245 OD1 ASN L 157 37.645 15.341 27.404 1.00 58.47 O ATOM 1246 ND2 ASN L 157 38.923 17.187 27.346 1.00 55.00 N ATOM 1247 N GLY L 158 35.226 19.865 25.177 1.00 33.30 N ATOM 1248 CA GLY L 158 34.540 20.613 24.140 1.00 31.53 C ATOM 1249 C GLY L 158 33.130 21.000 24.541 1.00 28.14 C ATOM 1250 O GLY L 158 32.311 21.360 23.696 1.00 31.41 O ATOM 1251 N VAL L 159 32.847 20.924 25.837 1.00 26.63 N ATOM 1252 CA VAL L 159 31.528 21.267 26.355 1.00 26.51 C ATOM 1253 C VAL L 159 31.393 22.772 26.564 1.00 26.19 C ATOM 1254 O VAL L 159 32.100 23.361 27.382 1.00 28.52 O ATOM 1255 CB VAL L 159 31.237 20.545 27.684 1.00 23.11 C ATOM 1256 CG1 VAL L 159 29.880 20.963 28.229 1.00 19.32 C ATOM 1257 CG2 VAL L 159 31.300 19.037 27.492 1.00 21.08 C ATOM 1258 N LEU L 160 30.481 23.389 25.820 1.00 24.95 N ATOM 1259 CA LEU L 160 30.251 24.825 25.923 1.00 25.07 C ATOM 1260 C LEU L 160 28.901 25.123 26.564 1.00 24.12 C ATOM 1261 O LEU L 160 27.852 24.911 25.955 1.00 19.14 O ATOM 1262 CB LEU L 160 30.334 25.480 24.543 1.00 26.58 C ATOM 1263 CG LEU L 160 31.664 25.334 23.801 1.00 33.27 C ATOM 1264 CD1 LEU L 160 31.605 26.029 22.449 1.00 31.99 C ATOM 1265 CD2 LEU L 160 32.810 25.880 24.639 1.00 32.28 C ATOM 1266 N ASN L 161 28.933 25.616 27.798 1.00 21.11 N ATOM 1267 CA ASN L 161 27.712 25.943 28.525 1.00 23.63 C ATOM 1268 C ASN L 161 27.500 27.448 28.636 1.00 23.38 C ATOM 1269 O ASN L 161 28.374 28.175 29.109 1.00 24.04 O ATOM 1270 CB ASN L 161 27.740 25.316 29.920 1.00 22.67 C ATOM 1271 CG ASN L 161 27.851 23.804 29.877 1.00 19.52 C ATOM 1272 OD1 ASN L 161 27.378 23.162 28.939 1.00 22.32 O ATOM 1273 ND2 ASN L 161 28.478 23.228 30.896 1.00 24.65 N ATOM 1274 N SER L 162 26.333 27.910 28.198 1.00 23.28 N ATOM 1275 CA SER L 162 26.003 29.329 28.250 1.00 21.47 C ATOM 1276 C SER L 162 24.593 29.548 28.790 1.00 18.33 C ATOM 1277 O SER L 162 23.609 29.176 28.151 1.00 16.76 O ATOM 1278 CB SER L 162 26.138 29.962 26.863 1.00 19.49 C ATOM 1279 OG SER L 162 25.821 31.342 26.898 1.00 24.49 O ATOM 1280 N TRP L 163 24.504 30.152 29.970 1.00 18.88 N ATOM 1281 CA TRP L 163 23.216 30.418 30.599 1.00 18.92 C ATOM 1282 C TRP L 163 22.719 31.822 30.269 1.00 19.32 C ATOM 1283 O TRP L 163 23.440 32.622 29.673 1.00 18.36 O ATOM 1284 CB TRP L 163 23.313 30.238 32.115 1.00 21.13 C ATOM 1285 CG TRP L 163 23.722 28.858 32.530 1.00 22.37 C ATOM 1286 CD1 TRP L 163 22.898 27.803 32.795 1.00 21.25 C ATOM 1287 CD2 TRP L 163 25.059 28.382 32.729 1.00 20.84 C ATOM 1288 NE1 TRP L 163 23.639 26.700 33.146 1.00 22.48 N ATOM 1289 CE2 TRP L 163 24.968 27.029 33.113 1.00 24.58 C ATOM 1290 CE3 TRP L 163 26.324 28.968 32.619 1.00 23.86 C ATOM 1291 CZ2 TRP L 163 26.093 26.254 33.387 1.00 27.02 C ATOM 1292 CZ3 TRP L 163 27.439 28.197 32.892 1.00 25.29 C ATOM 1293 CH2 TRP L 163 27.316 26.855 33.272 1.00 25.90 C ATOM 1294 N THR L 164 21.483 32.114 30.661 1.00 19.58 N ATOM 1295 CA THR L 164 20.888 33.421 30.410 1.00 21.33 C ATOM 1296 C THR L 164 20.663 34.183 31.711 1.00 23.17 C ATOM 1297 O THR L 164 21.376 33.978 32.693 1.00 20.66 O ATOM 1298 CB THR L 164 19.549 33.296 29.660 1.00 21.89 C ATOM 1299 OG1 THR L 164 18.625 32.536 30.448 1.00 21.92 O ATOM 1300 CG2 THR L 164 19.751 32.608 28.319 1.00 25.31 C ATOM 1301 N ASP L 165 19.667 35.063 31.711 1.00 26.05 N ATOM 1302 CA ASP L 165 19.346 35.858 32.891 1.00 28.15 C ATOM 1303 C ASP L 165 17.923 35.590 33.367 1.00 25.38 C ATOM 1304 O ASP L 165 17.214 34.759 32.800 1.00 25.33 O ATOM 1305 CB ASP L 165 19.532 37.348 32.600 1.00 30.96 C ATOM 1306 CG ASP L 165 20.952 37.691 32.196 1.00 40.38 C ATOM 1307 OD1 ASP L 165 21.253 37.651 30.984 1.00 46.27 O ATOM 1308 OD2 ASP L 165 21.768 38.000 33.090 1.00 41.46 O ATOM 1309 N GLN L 166 17.510 36.300 34.413 1.00 24.81 N ATOM 1310 CA GLN L 166 16.172 36.140 34.968 1.00 23.45 C ATOM 1311 C GLN L 166 15.153 36.979 34.205 1.00 26.11 C ATOM 1312 O GLN L 166 15.342 38.181 34.016 1.00 24.29 O ATOM 1313 CB GLN L 166 16.159 36.517 36.451 1.00 21.44 C ATOM 1314 CG GLN L 166 14.801 36.374 37.117 1.00 20.14 C ATOM 1315 CD GLN L 166 14.827 36.757 38.584 1.00 21.34 C ATOM 1316 OE1 GLN L 166 15.869 37.136 39.119 1.00 20.59 O ATOM 1317 NE2 GLN L 166 13.678 36.662 39.242 1.00 20.10 N ATOM 1318 N ASP L 167 14.074 36.339 33.767 1.00 27.95 N ATOM 1319 CA ASP L 167 13.026 37.025 33.023 1.00 29.93 C ATOM 1320 C ASP L 167 12.108 37.793 33.970 1.00 32.32 C ATOM 1321 O ASP L 167 12.032 37.484 35.159 1.00 28.91 O ATOM 1322 CB ASP L 167 12.218 36.026 32.190 1.00 35.59 C ATOM 1323 CG ASP L 167 11.363 36.701 31.136 1.00 43.09 C ATOM 1324 OD1 ASP L 167 11.836 36.846 29.989 1.00 45.39 O ATOM 1325 OD2 ASP L 167 10.221 37.090 31.455 1.00 50.52 O ATOM 1326 N SER L 168 11.414 38.795 33.439 1.00 33.22 N ATOM 1327 CA SER L 168 10.540 39.636 34.250 1.00 35.23 C ATOM 1328 C SER L 168 9.095 39.144 34.232 1.00 34.61 C ATOM 1329 O SER L 168 8.167 39.912 34.488 1.00 37.19 O ATOM 1330 CB SER L 168 10.601 41.087 33.767 1.00 36.36 C ATOM 1331 OG SER L 168 10.189 41.193 32.416 1.00 37.66 O ATOM 1332 N LYS L 169 8.908 37.863 33.930 1.00 34.88 N ATOM 1333 CA LYS L 169 7.575 37.271 33.903 1.00 36.42 C ATOM 1334 C LYS L 169 7.514 36.009 34.757 1.00 32.69 C ATOM 1335 O LYS L 169 6.964 36.019 35.858 1.00 30.70 O ATOM 1336 CB LYS L 169 7.154 36.953 32.467 1.00 42.22 C ATOM 1337 CG LYS L 169 7.060 38.171 31.561 1.00 48.53 C ATOM 1338 CD LYS L 169 6.640 37.780 30.153 1.00 55.82 C ATOM 1339 CE LYS L 169 6.547 38.997 29.247 1.00 58.26 C ATOM 1340 NZ LYS L 169 6.137 38.629 27.864 1.00 58.72 N ATOM 1341 N ASP L 170 8.081 34.923 34.241 1.00 28.93 N ATOM 1342 CA ASP L 170 8.084 33.649 34.951 1.00 22.71 C ATOM 1343 C ASP L 170 9.243 33.559 35.940 1.00 22.10 C ATOM 1344 O ASP L 170 9.295 32.642 36.761 1.00 21.97 O ATOM 1345 CB ASP L 170 8.145 32.486 33.958 1.00 24.60 C ATOM 1346 CG ASP L 170 9.178 32.699 32.866 1.00 26.56 C ATOM 1347 OD1 ASP L 170 10.172 33.417 33.108 1.00 29.66 O ATOM 1348 OD2 ASP L 170 8.995 32.147 31.760 1.00 30.73 O ATOM 1349 N SER L 171 10.163 34.517 35.848 1.00 20.46 N ATOM 1350 CA SER L 171 11.337 34.580 36.717 1.00 20.51 C ATOM 1351 C SER L 171 12.153 33.291 36.670 1.00 17.25 C ATOM 1352 O SER L 171 12.575 32.774 37.705 1.00 19.71 O ATOM 1353 CB SER L 171 10.922 34.886 38.160 1.00 20.21 C ATOM 1354 OG SER L 171 10.245 36.129 38.243 1.00 22.92 O ATOM 1355 N THR L 172 12.370 32.778 35.464 1.00 17.43 N ATOM 1356 CA THR L 172 13.136 31.552 35.279 1.00 18.12 C ATOM 1357 C THR L 172 14.430 31.819 34.518 1.00 18.93 C ATOM 1358 O THR L 172 14.771 32.968 34.239 1.00 18.61 O ATOM 1359 CB THR L 172 12.320 30.484 34.526 1.00 17.96 C ATOM 1360 OG1 THR L 172 11.956 30.982 33.232 1.00 19.22 O ATOM 1361 CG2 THR L 172 11.060 30.132 35.301 1.00 15.25 C ATOM 1362 N TYR L 173 15.147 30.750 34.185 1.00 17.92 N ATOM 1363 CA TYR L 173 16.404 30.868 33.456 1.00 15.72 C ATOM 1364 C TYR L 173 16.444 29.910 32.270 1.00 16.14 C ATOM 1365 O TYR L 173 15.597 29.025 32.145 1.00 14.22 O ATOM 1366 CB TYR L 173 17.590 30.603 34.385 1.00 17.15 C ATOM 1367 CG TYR L 173 17.689 31.569 35.545 1.00 16.57 C ATOM 1368 CD1 TYR L 173 17.091 31.283 36.765 1.00 18.39 C ATOM 1369 CD2 TYR L 173 18.381 32.766 35.420 1.00 18.69 C ATOM 1370 CE1 TYR L 173 17.179 32.162 37.828 1.00 18.47 C ATOM 1371 CE2 TYR L 173 18.475 33.652 36.477 1.00 18.35 C ATOM 1372 CZ TYR L 173 17.872 33.345 37.678 1.00 20.09 C ATOM 1373 OH TYR L 173 17.962 34.223 38.733 1.00 19.70 O ATOM 1374 N SER L 174 17.433 30.092 31.401 1.00 16.15 N ATOM 1375 CA SER L 174 17.585 29.245 30.224 1.00 14.61 C ATOM 1376 C SER L 174 19.045 28.859 30.008 1.00 15.98 C ATOM 1377 O SER L 174 19.938 29.702 30.090 1.00 13.49 O ATOM 1378 CB SER L 174 17.038 29.949 28.982 1.00 16.40 C ATOM 1379 OG SER L 174 15.661 30.251 29.131 1.00 18.71 O ATOM 1380 N MET L 175 19.279 27.580 29.732 1.00 19.92 N ATOM 1381 CA MET L 175 20.630 27.080 29.505 1.00 17.78 C ATOM 1382 C MET L 175 20.830 26.675 28.048 1.00 16.18 C ATOM 1383 O MET L 175 20.069 25.874 27.506 1.00 17.47 O ATOM 1384 CB MET L 175 20.924 25.895 30.426 1.00 22.48 C ATOM 1385 CG MET L 175 22.316 25.307 30.256 1.00 26.43 C ATOM 1386 SD MET L 175 22.623 23.915 31.360 1.00 29.78 S ATOM 1387 CE MET L 175 24.301 23.487 30.906 1.00 30.86 C ATOM 1388 N SER L 176 21.860 27.233 27.420 1.00 11.84 N ATOM 1389 CA SER L 176 22.163 26.931 26.026 1.00 15.67 C ATOM 1390 C SER L 176 23.466 26.149 25.903 1.00 16.12 C ATOM 1391 O SER L 176 24.510 26.711 25.572 1.00 13.99 O ATOM 1392 CB SER L 176 22.243 28.218 25.204 1.00 16.14 C ATOM 1393 OG SER L 176 22.538 27.939 23.846 1.00 18.80 O ATOM 1394 N SER L 177 23.398 24.849 26.171 1.00 16.05 N ATOM 1395 CA SER L 177 24.572 23.987 26.091 1.00 14.43 C ATOM 1396 C SER L 177 24.705 23.364 24.706 1.00 18.55 C ATOM 1397 O SER L 177 23.737 22.842 24.154 1.00 19.28 O ATOM 1398 CB SER L 177 24.506 22.891 27.156 1.00 15.92 C ATOM 1399 OG SER L 177 25.642 22.047 27.091 1.00 15.12 O ATOM 1400 N THR L 178 25.911 23.423 24.149 1.00 18.43 N ATOM 1401 CA THR L 178 26.173 22.866 22.828 1.00 16.88 C ATOM 1402 C THR L 178 27.543 22.200 22.772 1.00 20.48 C ATOM 1403 O THR L 178 28.572 22.859 22.924 1.00 22.05 O ATOM 1404 CB THR L 178 26.093 23.947 21.734 1.00 17.16 C ATOM 1405 OG1 THR L 178 24.787 24.537 21.735 1.00 19.94 O ATOM 1406 CG2 THR L 178 26.369 23.341 20.366 1.00 20.41 C ATOM 1407 N LEU L 179 27.550 20.889 22.552 1.00 22.32 N ATOM 1408 CA LEU L 179 28.794 20.132 22.473 1.00 21.07 C ATOM 1409 C LEU L 179 29.407 20.224 21.080 1.00 21.29 C ATOM 1410 O LEU L 179 28.856 19.697 20.113 1.00 20.43 O ATOM 1411 CB LEU L 179 28.554 18.668 22.847 1.00 21.66 C ATOM 1412 CG LEU L 179 29.777 17.749 22.809 1.00 22.35 C ATOM 1413 CD1 LEU L 179 30.847 18.238 23.774 1.00 20.94 C ATOM 1414 CD2 LEU L 179 29.382 16.314 23.124 1.00 22.39 C ATOM 1415 N THR L 180 30.549 20.897 20.984 1.00 24.12 N ATOM 1416 CA THR L 180 31.235 21.065 19.709 1.00 25.84 C ATOM 1417 C THR L 180 32.099 19.852 19.382 1.00 26.44 C ATOM 1418 O THR L 180 33.064 19.556 20.087 1.00 21.40 O ATOM 1419 CB THR L 180 32.117 22.327 19.705 1.00 29.86 C ATOM 1420 OG1 THR L 180 31.305 23.482 19.952 1.00 33.73 O ATOM 1421 CG2 THR L 180 32.818 22.483 18.364 1.00 31.34 C ATOM 1422 N LEU L 181 31.746 19.153 18.308 1.00 27.84 N ATOM 1423 CA LEU L 181 32.491 17.974 17.881 1.00 27.88 C ATOM 1424 C LEU L 181 32.980 18.122 16.444 1.00 25.63 C ATOM 1425 O LEU L 181 32.754 19.149 15.804 1.00 23.18 O ATOM 1426 CB LEU L 181 31.629 16.717 18.017 1.00 30.84 C ATOM 1427 CG LEU L 181 31.133 16.382 19.425 1.00 33.62 C ATOM 1428 CD1 LEU L 181 30.288 15.117 19.410 1.00 35.84 C ATOM 1429 CD2 LEU L 181 32.302 16.239 20.387 1.00 31.77 C ATOM 1430 N THR L 182 33.650 17.090 15.943 1.00 28.50 N ATOM 1431 CA THR L 182 34.169 17.103 14.580 1.00 28.26 C ATOM 1432 C THR L 182 33.209 16.410 13.619 1.00 29.68 C ATOM 1433 O THR L 182 31.991 16.481 13.785 1.00 30.89 O ATOM 1434 CB THR L 182 35.549 16.423 14.495 1.00 26.83 C ATOM 1435 OG1 THR L 182 35.437 15.055 14.907 1.00 24.66 O ATOM 1436 CG2 THR L 182 36.551 17.137 15.389 1.00 28.72 C ATOM 1437 N LYS L 183 33.764 15.741 12.614 1.00 33.77 N ATOM 1438 CA LYS L 183 32.957 15.040 11.622 1.00 33.68 C ATOM 1439 C LYS L 183 33.166 13.531 11.705 1.00 34.33 C ATOM 1440 O LYS L 183 32.214 12.757 11.611 1.00 29.48 O ATOM 1441 CB LYS L 183 33.287 15.540 10.214 1.00 33.64 C ATOM 1442 CG LYS L 183 32.473 14.880 9.113 1.00 35.35 C ATOM 1443 CD LYS L 183 32.849 15.426 7.745 1.00 39.24 C ATOM 1444 CE LYS L 183 32.033 14.769 6.644 1.00 37.84 C ATOM 1445 NZ LYS L 183 30.573 14.998 6.822 1.00 41.73 N ATOM 1446 N ASP L 184 34.417 13.121 11.885 1.00 34.54 N ATOM 1447 CA ASP L 184 34.755 11.706 11.972 1.00 35.73 C ATOM 1448 C ASP L 184 34.310 11.109 13.304 1.00 33.93 C ATOM 1449 O ASP L 184 34.068 9.906 13.405 1.00 30.41 O ATOM 1450 CB ASP L 184 36.260 11.502 11.784 1.00 42.36 C ATOM 1451 CG ASP L 184 36.751 12.002 10.439 1.00 49.31 C ATOM 1452 OD1 ASP L 184 35.966 11.970 9.469 1.00 52.20 O ATOM 1453 OD2 ASP L 184 37.923 12.426 10.353 1.00 53.88 O ATOM 1454 N GLU L 185 34.204 11.957 14.321 1.00 30.53 N ATOM 1455 CA GLU L 185 33.789 11.516 15.648 1.00 29.57 C ATOM 1456 C GLU L 185 32.304 11.167 15.670 1.00 24.71 C ATOM 1457 O GLU L 185 31.884 10.239 16.363 1.00 21.51 O ATOM 1458 CB GLU L 185 34.094 12.594 16.690 1.00 32.91 C ATOM 1459 CG GLU L 185 33.752 12.199 18.118 1.00 40.76 C ATOM 1460 CD GLU L 185 34.075 13.291 19.118 1.00 44.06 C ATOM 1461 OE1 GLU L 185 34.573 14.356 18.697 1.00 45.45 O ATOM 1462 OE2 GLU L 185 33.831 13.084 20.326 1.00 47.65 O ATOM 1463 N TYR L 186 31.515 11.913 14.904 1.00 22.95 N ATOM 1464 CA TYR L 186 30.075 11.690 14.836 1.00 22.27 C ATOM 1465 C TYR L 186 29.752 10.387 14.110 1.00 23.92 C ATOM 1466 O TYR L 186 28.727 9.758 14.371 1.00 22.37 O ATOM 1467 CB TYR L 186 29.385 12.867 14.141 1.00 22.25 C ATOM 1468 CG TYR L 186 27.877 12.761 14.096 1.00 22.07 C ATOM 1469 CD1 TYR L 186 27.102 13.143 15.183 1.00 22.70 C ATOM 1470 CD2 TYR L 186 27.227 12.284 12.965 1.00 19.16 C ATOM 1471 CE1 TYR L 186 25.723 13.049 15.147 1.00 21.19 C ATOM 1472 CE2 TYR L 186 25.849 12.186 12.919 1.00 22.00 C ATOM 1473 CZ TYR L 186 25.102 12.571 14.012 1.00 21.40 C ATOM 1474 OH TYR L 186 23.730 12.476 13.971 1.00 25.39 O ATOM 1475 N GLU L 187 30.634 9.987 13.200 1.00 25.44 N ATOM 1476 CA GLU L 187 30.443 8.760 12.436 1.00 28.75 C ATOM 1477 C GLU L 187 30.696 7.526 13.296 1.00 30.29 C ATOM 1478 O GLU L 187 30.101 6.471 13.074 1.00 34.87 O ATOM 1479 CB GLU L 187 31.361 8.744 11.212 1.00 29.14 C ATOM 1480 CG GLU L 187 31.122 9.889 10.241 1.00 32.84 C ATOM 1481 CD GLU L 187 32.047 9.839 9.041 1.00 36.60 C ATOM 1482 OE1 GLU L 187 32.877 8.908 8.966 1.00 36.69 O ATOM 1483 OE2 GLU L 187 31.944 10.730 8.172 1.00 42.02 O ATOM 1484 N ARG L 188 31.580 7.666 14.278 1.00 29.68 N ATOM 1485 CA ARG L 188 31.913 6.562 15.172 1.00 32.85 C ATOM 1486 C ARG L 188 30.799 6.315 16.184 1.00 30.86 C ATOM 1487 O ARG L 188 30.284 5.202 16.295 1.00 30.27 O ATOM 1488 CB ARG L 188 33.230 6.839 15.898 1.00 37.96 C ATOM 1489 CG ARG L 188 34.428 6.994 14.975 1.00 48.78 C ATOM 1490 CD ARG L 188 35.700 7.267 15.761 1.00 55.97 C ATOM 1491 NE ARG L 188 36.860 7.417 14.888 1.00 63.85 N ATOM 1492 CZ ARG L 188 37.645 6.413 14.509 1.00 67.24 C ATOM 1493 NH1 ARG L 188 38.680 6.642 13.713 1.00 68.10 N ATOM 1494 NH2 ARG L 188 37.395 5.179 14.927 1.00 68.59 N ATOM 1495 N HIS L 189 30.432 7.359 16.920 1.00 24.75 N ATOM 1496 CA HIS L 189 29.379 7.256 17.923 1.00 23.71 C ATOM 1497 C HIS L 189 28.000 7.210 17.273 1.00 24.64 C ATOM 1498 O HIS L 189 27.852 7.512 16.089 1.00 26.79 O ATOM 1499 CB HIS L 189 29.459 8.427 18.905 1.00 22.68 C ATOM 1500 CG HIS L 189 30.757 8.506 19.647 1.00 25.34 C ATOM 1501 ND1 HIS L 189 30.973 7.851 20.840 1.00 26.15 N ATOM 1502 CD2 HIS L 189 31.907 9.162 19.364 1.00 24.67 C ATOM 1503 CE1 HIS L 189 32.200 8.101 21.261 1.00 26.25 C ATOM 1504 NE2 HIS L 189 32.788 8.894 20.384 1.00 23.41 N ATOM 1505 N ASN L 190 26.995 6.831 18.055 1.00 25.08 N ATOM 1506 CA ASN L 190 25.629 6.738 17.554 1.00 25.31 C ATOM 1507 C ASN L 190 24.617 7.304 18.545 1.00 25.45 C ATOM 1508 O ASN L 190 23.812 8.169 18.199 1.00 24.83 O ATOM 1509 CB ASN L 190 25.281 5.285 17.226 1.00 29.15 C ATOM 1510 CG ASN L 190 23.871 5.130 16.691 1.00 31.49 C ATOM 1511 OD1 ASN L 190 22.928 4.903 17.449 1.00 30.98 O ATOM 1512 ND2 ASN L 190 23.720 5.251 15.377 1.00 34.25 N ATOM 1513 N SER L 191 24.663 6.810 19.778 1.00 23.83 N ATOM 1514 CA SER L 191 23.744 7.258 20.817 1.00 24.93 C ATOM 1515 C SER L 191 24.325 8.429 21.604 1.00 22.62 C ATOM 1516 O SER L 191 25.500 8.423 21.969 1.00 26.10 O ATOM 1517 CB SER L 191 23.406 6.106 21.765 1.00 25.58 C ATOM 1518 OG SER L 191 24.572 5.603 22.394 1.00 35.76 O ATOM 1519 N TYR L 192 23.492 9.433 21.861 1.00 20.96 N ATOM 1520 CA TYR L 192 23.916 10.609 22.611 1.00 18.77 C ATOM 1521 C TYR L 192 22.935 10.925 23.735 1.00 20.42 C ATOM 1522 O TYR L 192 21.987 11.688 23.549 1.00 20.12 O ATOM 1523 CB TYR L 192 24.058 11.816 21.682 1.00 15.79 C ATOM 1524 CG TYR L 192 25.093 11.635 20.594 1.00 19.38 C ATOM 1525 CD1 TYR L 192 24.739 11.133 19.348 1.00 18.58 C ATOM 1526 CD2 TYR L 192 26.424 11.965 20.813 1.00 13.17 C ATOM 1527 CE1 TYR L 192 25.682 10.965 18.351 1.00 17.30 C ATOM 1528 CE2 TYR L 192 27.374 11.801 19.823 1.00 19.20 C ATOM 1529 CZ TYR L 192 26.997 11.301 18.594 1.00 19.28 C ATOM 1530 OH TYR L 192 27.940 11.136 17.605 1.00 22.20 O ATOM 1531 N THR L 193 23.170 10.332 24.901 1.00 18.07 N ATOM 1532 CA THR L 193 22.301 10.538 26.054 1.00 17.57 C ATOM 1533 C THR L 193 22.566 11.886 26.716 1.00 16.70 C ATOM 1534 O THR L 193 23.668 12.145 27.201 1.00 17.17 O ATOM 1535 CB THR L 193 22.480 9.422 27.100 1.00 16.02 C ATOM 1536 OG1 THR L 193 22.169 8.154 26.508 1.00 19.60 O ATOM 1537 CG2 THR L 193 21.565 9.657 28.293 1.00 13.67 C ATOM 1538 N CYS L 194 21.549 12.742 26.732 1.00 16.69 N ATOM 1539 CA CYS L 194 21.664 14.058 27.350 1.00 17.33 C ATOM 1540 C CYS L 194 21.243 14.011 28.815 1.00 17.62 C ATOM 1541 O CYS L 194 20.071 14.199 29.140 1.00 16.52 O ATOM 1542 CB CYS L 194 20.820 15.083 26.590 1.00 18.04 C ATOM 1543 SG CYS L 194 20.912 16.765 27.249 1.00 32.91 S ATOM 1544 N GLU L 195 22.207 13.757 29.694 1.00 17.34 N ATOM 1545 CA GLU L 195 21.936 13.667 31.124 1.00 19.88 C ATOM 1546 C GLU L 195 21.665 15.042 31.727 1.00 20.22 C ATOM 1547 O GLU L 195 22.444 15.977 31.540 1.00 21.05 O ATOM 1548 CB GLU L 195 23.106 12.997 31.848 1.00 24.97 C ATOM 1549 CG GLU L 195 22.905 12.849 33.348 1.00 32.91 C ATOM 1550 CD GLU L 195 24.081 12.177 34.029 1.00 36.32 C ATOM 1551 OE1 GLU L 195 25.057 11.832 33.330 1.00 38.85 O ATOM 1552 OE2 GLU L 195 24.030 11.995 35.264 1.00 41.20 O ATOM 1553 N ALA L 196 20.556 15.156 32.449 1.00 16.39 N ATOM 1554 CA ALA L 196 20.182 16.412 33.088 1.00 21.33 C ATOM 1555 C ALA L 196 19.605 16.168 34.478 1.00 20.72 C ATOM 1556 O ALA L 196 18.417 16.388 34.715 1.00 17.53 O ATOM 1557 CB ALA L 196 19.185 17.170 32.224 1.00 18.50 C ATOM 1558 N THR L 197 20.453 15.711 35.393 1.00 18.09 N ATOM 1559 CA THR L 197 20.029 15.427 36.759 1.00 19.90 C ATOM 1560 C THR L 197 19.787 16.713 37.542 1.00 18.30 C ATOM 1561 O THR L 197 20.700 17.518 37.730 1.00 17.35 O ATOM 1562 CB THR L 197 21.068 14.570 37.506 1.00 24.04 C ATOM 1563 OG1 THR L 197 21.259 13.332 36.810 1.00 29.31 O ATOM 1564 CG2 THR L 197 20.602 14.283 38.925 1.00 28.68 C ATOM 1565 N HIS L 198 18.553 16.899 37.998 1.00 15.62 N ATOM 1566 CA HIS L 198 18.190 18.084 38.765 1.00 15.66 C ATOM 1567 C HIS L 198 17.988 17.728 40.236 1.00 17.04 C ATOM 1568 O HIS L 198 17.765 16.566 40.576 1.00 16.66 O ATOM 1569 CB HIS L 198 16.925 18.727 38.191 1.00 13.31 C ATOM 1570 CG HIS L 198 16.670 20.115 38.692 1.00 17.08 C ATOM 1571 ND1 HIS L 198 15.783 20.387 39.711 1.00 17.72 N ATOM 1572 CD2 HIS L 198 17.186 21.308 38.313 1.00 14.19 C ATOM 1573 CE1 HIS L 198 15.764 21.688 39.939 1.00 14.45 C ATOM 1574 NE2 HIS L 198 16.606 22.270 39.104 1.00 16.89 N ATOM 1575 N LYS L 199 18.067 18.733 41.103 1.00 16.74 N ATOM 1576 CA LYS L 199 17.928 18.520 42.540 1.00 19.00 C ATOM 1577 C LYS L 199 16.494 18.168 42.926 1.00 20.97 C ATOM 1578 O LYS L 199 16.252 17.591 43.987 1.00 21.85 O ATOM 1579 CB LYS L 199 18.385 19.762 43.309 1.00 20.45 C ATOM 1580 CG LYS L 199 17.612 21.025 42.967 1.00 22.66 C ATOM 1581 CD LYS L 199 18.115 22.215 43.768 1.00 26.15 C ATOM 1582 CE LYS L 199 17.962 21.979 45.262 1.00 21.03 C ATOM 1583 NZ LYS L 199 18.450 23.138 46.060 1.00 21.64 N ATOM 1584 N THR L 200 15.547 18.516 42.061 1.00 18.72 N ATOM 1585 CA THR L 200 14.138 18.237 42.314 1.00 19.72 C ATOM 1586 C THR L 200 13.677 16.992 41.562 1.00 20.83 C ATOM 1587 O THR L 200 12.501 16.861 41.222 1.00 26.38 O ATOM 1588 CB THR L 200 13.246 19.426 41.914 1.00 19.77 C ATOM 1589 OG1 THR L 200 13.387 19.682 40.511 1.00 17.69 O ATOM 1590 CG2 THR L 200 13.637 20.672 42.694 1.00 14.54 C ATOM 1591 N SER L 201 14.610 16.082 41.306 1.00 21.32 N ATOM 1592 CA SER L 201 14.301 14.848 40.594 1.00 24.17 C ATOM 1593 C SER L 201 15.236 13.718 41.016 1.00 25.64 C ATOM 1594 O SER L 201 16.457 13.861 40.970 1.00 23.14 O ATOM 1595 CB SER L 201 14.389 15.065 39.082 1.00 22.05 C ATOM 1596 OG SER L 201 15.689 15.480 38.701 1.00 29.12 O ATOM 1597 N THR L 202 14.652 12.597 41.426 1.00 27.73 N ATOM 1598 CA THR L 202 15.431 11.441 41.854 1.00 28.56 C ATOM 1599 C THR L 202 16.032 10.710 40.658 1.00 28.92 C ATOM 1600 O THR L 202 17.249 10.546 40.565 1.00 31.68 O ATOM 1601 CB THR L 202 14.575 10.454 42.670 1.00 31.31 C ATOM 1602 OG1 THR L 202 14.052 11.116 43.828 1.00 36.27 O ATOM 1603 CG2 THR L 202 15.409 9.260 43.106 1.00 32.66 C ATOM 1604 N SER L 203 15.172 10.272 39.745 1.00 27.56 N ATOM 1605 CA SER L 203 15.616 9.562 38.551 1.00 23.75 C ATOM 1606 C SER L 203 16.111 10.533 37.485 1.00 22.24 C ATOM 1607 O SER L 203 15.451 11.531 37.194 1.00 21.15 O ATOM 1608 CB SER L 203 14.485 8.696 37.991 1.00 20.42 C ATOM 1609 OG SER L 203 14.058 7.736 38.942 1.00 28.52 O ATOM 1610 N PRO L 204 17.281 10.241 36.897 1.00 23.24 N ATOM 1611 CA PRO L 204 17.873 11.089 35.857 1.00 25.65 C ATOM 1612 C PRO L 204 17.093 11.031 34.547 1.00 24.82 C ATOM 1613 O PRO L 204 16.524 9.992 34.213 1.00 25.58 O ATOM 1614 CB PRO L 204 19.275 10.502 35.685 1.00 28.16 C ATOM 1615 CG PRO L 204 19.129 9.075 36.083 1.00 27.58 C ATOM 1616 CD PRO L 204 18.121 9.069 37.198 1.00 22.91 C ATOM 1617 N ILE L 205 17.072 12.142 33.817 1.00 27.99 N ATOM 1618 CA ILE L 205 16.361 12.210 32.546 1.00 25.93 C ATOM 1619 C ILE L 205 17.215 11.664 31.407 1.00 26.15 C ATOM 1620 O ILE L 205 18.293 12.185 31.122 1.00 25.01 O ATOM 1621 CB ILE L 205 15.938 13.652 32.213 1.00 30.56 C ATOM 1622 CG1 ILE L 205 15.076 14.229 33.338 1.00 33.11 C ATOM 1623 CG2 ILE L 205 15.193 13.697 30.887 1.00 33.39 C ATOM 1624 CD1 ILE L 205 14.620 15.651 33.092 1.00 40.58 C ATOM 1625 N VAL L 206 16.727 10.611 30.758 1.00 25.61 N ATOM 1626 CA VAL L 206 17.447 9.991 29.653 1.00 22.56 C ATOM 1627 C VAL L 206 16.791 10.314 28.315 1.00 23.74 C ATOM 1628 O VAL L 206 15.685 9.857 28.028 1.00 26.04 O ATOM 1629 CB VAL L 206 17.526 8.462 29.819 1.00 24.03 C ATOM 1630 CG1 VAL L 206 18.249 7.836 28.636 1.00 24.31 C ATOM 1631 CG2 VAL L 206 18.221 8.106 31.124 1.00 22.72 C ATOM 1632 N LYS L 207 17.480 11.107 27.501 1.00 21.44 N ATOM 1633 CA LYS L 207 16.972 11.488 26.188 1.00 22.91 C ATOM 1634 C LYS L 207 17.980 11.160 25.091 1.00 22.91 C ATOM 1635 O LYS L 207 18.642 12.049 24.557 1.00 20.68 O ATOM 1636 CB LYS L 207 16.628 12.979 26.157 1.00 22.57 C ATOM 1637 CG LYS L 207 15.530 13.385 27.126 1.00 29.92 C ATOM 1638 CD LYS L 207 14.230 12.656 26.825 1.00 29.61 C ATOM 1639 CE LYS L 207 13.130 13.067 27.790 1.00 36.42 C ATOM 1640 NZ LYS L 207 11.851 12.360 27.507 1.00 38.91 N ATOM 1641 N SER L 208 18.091 9.877 24.761 1.00 22.93 N ATOM 1642 CA SER L 208 19.019 9.429 23.730 1.00 23.69 C ATOM 1643 C SER L 208 18.301 9.189 22.406 1.00 22.47 C ATOM 1644 O SER L 208 17.085 8.999 22.374 1.00 19.97 O ATOM 1645 CB SER L 208 19.740 8.155 24.176 1.00 30.36 C ATOM 1646 OG SER L 208 18.819 7.108 24.423 1.00 31.97 O ATOM 1647 N PHE L 209 19.062 9.198 21.316 1.00 21.36 N ATOM 1648 CA PHE L 209 18.501 8.978 19.989 1.00 22.67 C ATOM 1649 C PHE L 209 19.441 8.144 19.125 1.00 26.96 C ATOM 1650 O PHE L 209 20.618 7.983 19.449 1.00 22.94 O ATOM 1651 CB PHE L 209 18.198 10.315 19.304 1.00 24.63 C ATOM 1652 CG PHE L 209 19.401 11.204 19.141 1.00 23.08 C ATOM 1653 CD1 PHE L 209 20.152 11.172 17.977 1.00 22.08 C ATOM 1654 CD2 PHE L 209 19.777 12.076 20.150 1.00 22.40 C ATOM 1655 CE1 PHE L 209 21.257 11.989 17.824 1.00 26.03 C ATOM 1656 CE2 PHE L 209 20.881 12.895 20.003 1.00 21.71 C ATOM 1657 CZ PHE L 209 21.621 12.851 18.839 1.00 20.59 C ATOM 1658 N ASN L 210 18.915 7.616 18.025 1.00 29.68 N ATOM 1659 CA ASN L 210 19.706 6.797 17.114 1.00 35.91 C ATOM 1660 C ASN L 210 19.745 7.384 15.708 1.00 38.80 C ATOM 1661 O ASN L 210 18.854 8.137 15.314 1.00 35.50 O ATOM 1662 CB ASN L 210 19.157 5.370 17.069 1.00 39.78 C ATOM 1663 CG ASN L 210 19.183 4.692 18.425 1.00 42.87 C ATOM 1664 OD1 ASN L 210 20.041 4.980 19.259 1.00 45.62 O ATOM 1665 ND2 ASN L 210 18.240 3.785 18.651 1.00 47.45 N ATOM 1666 N ARG L 211 20.782 7.035 14.954 1.00 43.49 N ATOM 1667 CA ARG L 211 20.939 7.525 13.590 1.00 50.94 C ATOM 1668 C ARG L 211 20.248 6.604 12.591 1.00 56.96 C ATOM 1669 O ARG L 211 20.101 6.945 11.417 1.00 61.08 O ATOM 1670 CB ARG L 211 22.421 7.667 13.238 1.00 48.48 C ATOM 1671 CG ARG L 211 23.183 8.631 14.134 1.00 44.50 C ATOM 1672 CD ARG L 211 24.649 8.736 13.735 1.00 43.64 C ATOM 1673 NE ARG L 211 25.370 7.480 13.924 1.00 42.96 N ATOM 1674 CZ ARG L 211 25.666 6.630 12.945 1.00 42.42 C ATOM 1675 NH1 ARG L 211 25.305 6.900 11.698 1.00 43.30 N ATOM 1676 NH2 ARG L 211 26.325 5.511 13.213 1.00 40.19 N ATOM 1677 N ASN L 212 19.825 5.436 13.064 1.00 63.62 N ATOM 1678 CA ASN L 212 19.148 4.465 12.213 1.00 70.84 C ATOM 1679 C ASN L 212 17.700 4.856 11.942 1.00 76.13 C ATOM 1680 O ASN L 212 17.127 4.483 10.918 1.00 78.13 O ATOM 1681 CB ASN L 212 19.203 3.074 12.847 1.00 71.04 C ATOM 1682 CG ASN L 212 20.622 2.584 13.056 1.00 72.56 C ATOM 1683 OD1 ASN L 212 21.531 2.941 12.306 1.00 70.76 O ATOM 1684 ND2 ASN L 212 20.819 1.761 14.079 1.00 73.07 N ATOM 1685 N GLU L 213 17.113 5.610 12.865 1.00 80.14 N ATOM 1686 CA GLU L 213 15.731 6.055 12.727 1.00 84.85 C ATOM 1687 C GLU L 213 15.639 7.577 12.735 1.00 86.71 C ATOM 1688 O GLU L 213 15.867 8.213 13.765 1.00 86.91 O ATOM 1689 CB GLU L 213 14.866 5.469 13.845 1.00 87.98 C ATOM 1690 CG GLU L 213 13.404 5.880 13.778 1.00 92.53 C ATOM 1691 CD GLU L 213 12.579 5.282 14.900 1.00 94.81 C ATOM 1692 OE1 GLU L 213 13.149 4.544 15.731 1.00 95.41 O ATOM 1693 OE2 GLU L 213 11.360 5.549 14.951 1.00 95.58 O ATOM 1694 N CYS L 214 15.309 8.145 11.577 1.00 89.38 N ATOM 1695 CA CYS L 214 15.161 9.591 11.409 1.00 92.10 C ATOM 1696 C CYS L 214 16.431 10.355 11.782 1.00 92.54 C ATOM 1697 O CYS L 214 17.507 9.777 11.934 1.00 91.81 O ATOM 1698 CB CYS L 214 13.979 10.109 12.234 1.00 94.22 C ATOM 1699 SG CYS L 214 12.384 9.381 11.793 1.00 97.85 S ATOM 1700 OXT CYS L 214 16.410 11.577 11.930 1.00 93.46 O TER """ def get_pdb_inputs(pdb_str): ppf = mmtbx.utils.process_pdb_file_srv().process_pdb_files( raw_records=pdb_str.splitlines())[0] xrs = ppf.xray_structure(show_summary = False) restraints_manager = mmtbx.restraints.manager( geometry = ppf.geometry_restraints_manager(show_energies = False), normalization = True) return group_args( ph = ppf.all_chain_proxies.pdb_hierarchy, grm = restraints_manager, xrs = xrs) def get_map(xrs): f_calc = xrs.structure_factors(d_min = 1.0).f_calc() fft_map = f_calc.fft_map(resolution_factor=0.25) fft_map.apply_sigma_scaling() return fft_map.real_map_unpadded() def exercise(): """ Exercise refine "easy". """ pi = get_pdb_inputs(pdb_str=pdb_str_1) pi.ph.write_pdb_file(file_name="answer.pdb") sel = pi.ph.atom_selection_cache().selection(string = "resid 1:107") map_data = get_map(xrs=pi.xrs) xrs = pi.xrs.deep_copy_scatterers() xrs_fixed = xrs.select(selection = ~sel) xrs_poor = xrs.deep_copy_scatterers() xrs_poor.shake_sites_in_place(mean_distance=0.5, selection=sel) # x1 = xrs_poor.select(selection = sel) x2 = xrs.select(selection = sel) d = flex.mean(x1.distances(other=x2)) assert approx_equal(d, 0.5, 0.05) # ero = individual_sites.easy( map_data = map_data, xray_structure = xrs_poor, pdb_hierarchy = pi.ph, geometry_restraints_manager = pi.grm, selection = sel, log = sys.stdout) xrs_refined = ero.xray_structure # comapre fixed x1 = xrs_refined.select(selection = ~sel) d = x1.distances(other=xrs_fixed) assert approx_equal(d.min_max_mean().as_tuple(), [0,0,0]) # compare refined x1 = xrs_refined.select(selection = sel) x2 = xrs.select(selection = sel) d = flex.mean(x1.distances(other=x2)) assert d < 0.05 ero.pdb_hierarchy.write_pdb_file(file_name="refined.pdb") if(__name__ == "__main__"): flex.set_random_seed(10000) random.seed(10000) timer = user_plus_sys_time() exercise() print("Time: %6.2f" % timer.elapsed())