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 from mmtbx.refinement.real_space import individual_sites from mmtbx.refinement.real_space import weight import mmtbx pdb_str_1 = """\ CRYST1 44.034 76.843 61.259 90.00 90.00 90.00 P 1 ATOM 1 N ASP L 1 41.034 57.788 45.685 1.00 34.60 N ATOM 2 CA ASP L 1 39.662 57.398 45.251 1.00 33.86 C ATOM 3 C ASP L 1 38.809 56.927 46.419 1.00 34.02 C ATOM 4 O ASP L 1 39.260 56.141 47.252 1.00 32.23 O ATOM 5 CB ASP L 1 39.743 56.287 44.206 1.00 33.99 C ATOM 6 CG ASP L 1 40.130 56.803 42.838 1.00 36.93 C ATOM 7 OD1 ASP L 1 40.975 57.720 42.767 1.00 36.67 O ATOM 8 OD2 ASP L 1 39.593 56.283 41.834 1.00 38.81 O ATOM 9 N VAL L 2 37.576 57.416 46.480 1.00 31.94 N ATOM 10 CA VAL L 2 36.665 57.016 47.538 1.00 29.81 C ATOM 11 C VAL L 2 36.159 55.619 47.205 1.00 28.28 C ATOM 12 O VAL L 2 35.676 55.371 46.101 1.00 27.24 O ATOM 13 CB VAL L 2 35.474 57.979 47.646 1.00 30.66 C ATOM 14 CG1 VAL L 2 34.500 57.492 48.710 1.00 29.42 C ATOM 15 CG2 VAL L 2 35.974 59.366 47.985 1.00 31.43 C ATOM 16 N GLN L 3 36.272 54.714 48.169 1.00 25.93 N ATOM 17 CA GLN L 3 35.853 53.330 47.991 1.00 24.46 C ATOM 18 C GLN L 3 34.417 53.087 48.458 1.00 23.33 C ATOM 19 O GLN L 3 34.076 53.358 49.607 1.00 20.10 O ATOM 20 CB GLN L 3 36.814 52.422 48.760 1.00 29.74 C ATOM 21 CG GLN L 3 36.363 50.981 48.896 1.00 39.72 C ATOM 22 CD GLN L 3 36.975 50.300 50.112 1.00 51.31 C ATOM 23 OE1 GLN L 3 36.709 49.124 50.384 1.00 57.11 O ATOM 24 NE2 GLN L 3 37.798 51.041 50.855 1.00 54.00 N ATOM 25 N MET L 4 33.581 52.566 47.561 1.00 24.27 N ATOM 26 CA MET L 4 32.184 52.274 47.881 1.00 22.89 C ATOM 27 C MET L 4 32.013 50.768 48.100 1.00 21.48 C ATOM 28 O MET L 4 32.320 49.967 47.216 1.00 23.73 O ATOM 29 CB MET L 4 31.267 52.748 46.744 1.00 22.77 C ATOM 30 CG MET L 4 31.390 54.239 46.393 1.00 20.45 C ATOM 31 SD MET L 4 30.924 55.388 47.735 1.00 23.95 S ATOM 32 CE MET L 4 29.163 55.282 47.675 1.00 24.76 C ATOM 33 N THR L 5 31.523 50.384 49.276 1.00 20.55 N ATOM 34 CA THR L 5 31.339 48.966 49.606 1.00 20.64 C ATOM 35 C THR L 5 29.875 48.588 49.801 1.00 20.08 C ATOM 36 O THR L 5 29.221 49.085 50.714 1.00 20.87 O ATOM 37 CB THR L 5 32.098 48.596 50.895 1.00 23.39 C ATOM 38 OG1 THR L 5 33.471 48.984 50.770 1.00 30.91 O ATOM 39 CG2 THR L 5 32.029 47.098 51.145 1.00 26.97 C ATOM 40 N GLN L 6 29.367 47.701 48.948 1.00 21.97 N ATOM 41 CA GLN L 6 27.975 47.267 49.048 1.00 25.11 C ATOM 42 C GLN L 6 27.834 45.887 49.675 1.00 25.56 C ATOM 43 O GLN L 6 28.599 44.970 49.369 1.00 26.32 O ATOM 44 CB GLN L 6 27.306 47.231 47.672 1.00 20.36 C ATOM 45 CG GLN L 6 27.329 48.527 46.918 1.00 21.68 C ATOM 46 CD GLN L 6 26.477 48.475 45.674 1.00 20.77 C ATOM 47 OE1 GLN L 6 26.746 49.180 44.702 1.00 24.00 O ATOM 48 NE2 GLN L 6 25.430 47.644 45.697 1.00 16.25 N ATOM 49 N THR L 7 26.828 45.753 50.534 1.00 27.28 N ATOM 50 CA THR L 7 26.529 44.505 51.224 1.00 29.94 C ATOM 51 C THR L 7 25.019 44.310 51.166 1.00 30.28 C ATOM 52 O THR L 7 24.263 45.253 51.396 1.00 30.65 O ATOM 53 CB THR L 7 26.941 44.575 52.705 1.00 33.05 C ATOM 54 OG1 THR L 7 28.286 45.056 52.805 1.00 36.48 O ATOM 55 CG2 THR L 7 26.858 43.194 53.347 1.00 38.31 C ATOM 56 N PRO L 8 24.554 43.090 50.860 1.00 29.43 N ATOM 57 CA PRO L 8 25.323 41.881 50.561 1.00 27.63 C ATOM 58 C PRO L 8 25.669 41.802 49.078 1.00 27.58 C ATOM 59 O PRO L 8 25.321 42.697 48.305 1.00 28.53 O ATOM 60 CB PRO L 8 24.375 40.773 50.987 1.00 27.24 C ATOM 61 CG PRO L 8 23.056 41.319 50.539 1.00 29.03 C ATOM 62 CD PRO L 8 23.119 42.773 50.982 1.00 28.99 C ATOM 63 N LEU L 9 26.356 40.736 48.678 1.00 27.41 N ATOM 64 CA LEU L 9 26.722 40.568 47.274 1.00 25.92 C ATOM 65 C LEU L 9 25.495 40.183 46.464 1.00 23.43 C ATOM 66 O LEU L 9 25.289 40.689 45.364 1.00 22.17 O ATOM 67 CB LEU L 9 27.799 39.491 47.108 1.00 26.82 C ATOM 68 CG LEU L 9 29.182 39.809 47.673 1.00 33.53 C ATOM 69 CD1 LEU L 9 30.123 38.653 47.379 1.00 35.06 C ATOM 70 CD2 LEU L 9 29.711 41.095 47.055 1.00 36.76 C ATOM 71 N THR L 10 24.690 39.279 47.013 1.00 20.90 N ATOM 72 CA THR L 10 23.473 38.827 46.350 1.00 23.73 C ATOM 73 C THR L 10 22.344 38.769 47.368 1.00 25.10 C ATOM 74 O THR L 10 22.579 38.643 48.572 1.00 24.48 O ATOM 75 CB THR L 10 23.639 37.430 45.715 1.00 23.27 C ATOM 76 OG1 THR L 10 23.934 36.470 46.735 1.00 30.08 O ATOM 77 CG2 THR L 10 24.755 37.440 44.696 1.00 27.84 C ATOM 78 N LEU L 11 21.116 38.857 46.878 1.00 26.12 N ATOM 79 CA LEU L 11 19.957 38.844 47.749 1.00 30.70 C ATOM 80 C LEU L 11 18.815 38.085 47.090 1.00 32.76 C ATOM 81 O LEU L 11 18.274 38.524 46.074 1.00 33.60 O ATOM 82 CB LEU L 11 19.533 40.287 48.038 1.00 33.97 C ATOM 83 CG LEU L 11 18.433 40.582 49.057 1.00 39.69 C ATOM 84 CD1 LEU L 11 18.879 40.167 50.452 1.00 43.19 C ATOM 85 CD2 LEU L 11 18.130 42.066 49.030 1.00 43.64 C ATOM 86 N SER L 12 18.459 36.935 47.657 1.00 31.08 N ATOM 87 CA SER L 12 17.360 36.148 47.116 1.00 30.15 C ATOM 88 C SER L 12 16.142 36.402 47.998 1.00 29.02 C ATOM 89 O SER L 12 16.100 35.974 49.152 1.00 28.74 O ATOM 90 CB SER L 12 17.716 34.662 47.104 1.00 32.01 C ATOM 91 OG SER L 12 16.708 33.917 46.439 1.00 36.13 O ATOM 92 N VAL L 13 15.153 37.100 47.447 1.00 26.21 N ATOM 93 CA VAL L 13 13.949 37.450 48.194 1.00 28.30 C ATOM 94 C VAL L 13 12.666 37.041 47.485 1.00 28.12 C ATOM 95 O VAL L 13 12.570 37.136 46.263 1.00 28.03 O ATOM 96 CB VAL L 13 13.893 38.973 48.436 1.00 28.47 C ATOM 97 CG1 VAL L 13 12.710 39.318 49.326 1.00 31.69 C ATOM 98 CG2 VAL L 13 15.194 39.444 49.057 1.00 29.64 C ATOM 99 N THR L 14 11.675 36.604 48.257 1.00 27.89 N ATOM 100 CA THR L 14 10.398 36.189 47.683 1.00 28.32 C ATOM 101 C THR L 14 9.493 37.398 47.478 1.00 26.52 C ATOM 102 O THR L 14 9.536 38.350 48.257 1.00 25.01 O ATOM 103 CB THR L 14 9.662 35.188 48.596 1.00 28.53 C ATOM 104 OG1 THR L 14 9.009 35.895 49.655 1.00 32.97 O ATOM 105 CG2 THR L 14 10.642 34.203 49.198 1.00 29.78 C ATOM 106 N ILE L 15 8.677 37.354 46.427 1.00 27.49 N ATOM 107 CA ILE L 15 7.755 38.443 46.118 1.00 30.40 C ATOM 108 C ILE L 15 6.923 38.807 47.350 1.00 31.66 C ATOM 109 O ILE L 15 6.426 37.928 48.053 1.00 30.80 O ATOM 110 CB ILE L 15 6.790 38.051 44.972 1.00 33.00 C ATOM 111 CG1 ILE L 15 7.581 37.712 43.707 1.00 34.49 C ATOM 112 CG2 ILE L 15 5.825 39.195 44.685 1.00 31.76 C ATOM 113 CD1 ILE L 15 8.358 38.881 43.145 1.00 35.24 C ATOM 114 N GLY L 16 6.786 40.104 47.612 1.00 33.59 N ATOM 115 CA GLY L 16 6.005 40.550 48.752 1.00 31.81 C ATOM 116 C GLY L 16 6.829 40.795 49.999 1.00 32.58 C ATOM 117 O GLY L 16 6.389 41.501 50.908 1.00 30.43 O ATOM 118 N GLN L 17 8.020 40.209 50.059 1.00 32.24 N ATOM 119 CA GLN L 17 8.884 40.401 51.216 1.00 34.33 C ATOM 120 C GLN L 17 9.780 41.621 51.036 1.00 34.70 C ATOM 121 O GLN L 17 10.007 42.076 49.913 1.00 32.37 O ATOM 122 CB GLN L 17 9.732 39.152 51.461 1.00 37.95 C ATOM 123 CG GLN L 17 8.932 37.997 52.035 1.00 45.88 C ATOM 124 CD GLN L 17 8.284 38.349 53.367 1.00 49.94 C ATOM 125 OE1 GLN L 17 8.971 38.579 54.365 1.00 49.94 O ATOM 126 NE2 GLN L 17 6.955 38.403 53.384 1.00 51.10 N ATOM 127 N PRO L 18 10.283 42.182 52.150 1.00 33.30 N ATOM 128 CA PRO L 18 11.154 43.358 52.095 1.00 32.71 C ATOM 129 C PRO L 18 12.611 43.007 51.799 1.00 30.96 C ATOM 130 O PRO L 18 13.056 41.887 52.040 1.00 30.74 O ATOM 131 CB PRO L 18 10.976 43.970 53.478 1.00 31.82 C ATOM 132 CG PRO L 18 10.862 42.754 54.342 1.00 33.36 C ATOM 133 CD PRO L 18 9.923 41.864 53.545 1.00 34.01 C ATOM 134 N ALA L 19 13.344 43.978 51.268 1.00 28.50 N ATOM 135 CA ALA L 19 14.751 43.790 50.946 1.00 27.23 C ATOM 136 C ALA L 19 15.503 45.055 51.332 1.00 27.07 C ATOM 137 O ALA L 19 14.952 46.158 51.281 1.00 24.32 O ATOM 138 CB ALA L 19 14.918 43.513 49.462 1.00 30.04 C ATOM 139 N SER L 20 16.762 44.898 51.716 1.00 24.81 N ATOM 140 CA SER L 20 17.561 46.043 52.121 1.00 27.97 C ATOM 141 C SER L 20 18.991 45.917 51.615 1.00 26.96 C ATOM 142 O SER L 20 19.599 44.853 51.713 1.00 27.07 O ATOM 143 CB SER L 20 17.550 46.156 53.649 1.00 29.31 C ATOM 144 OG SER L 20 18.192 47.338 54.084 1.00 39.96 O ATOM 145 N ILE L 21 19.522 47.004 51.062 1.00 26.94 N ATOM 146 CA ILE L 21 20.889 47.005 50.551 1.00 26.44 C ATOM 147 C ILE L 21 21.674 48.097 51.264 1.00 24.60 C ATOM 148 O ILE L 21 21.199 49.220 51.405 1.00 22.55 O ATOM 149 CB ILE L 21 20.949 47.298 49.033 1.00 26.88 C ATOM 150 CG1 ILE L 21 19.869 46.508 48.285 1.00 25.90 C ATOM 151 CG2 ILE L 21 22.337 46.950 48.504 1.00 22.24 C ATOM 152 CD1 ILE L 21 19.981 45.019 48.421 1.00 34.36 C ATOM 153 N SER L 22 22.880 47.765 51.701 1.00 24.87 N ATOM 154 CA SER L 22 23.722 48.719 52.405 1.00 25.53 C ATOM 155 C SER L 22 24.895 49.182 51.563 1.00 24.12 C ATOM 156 O SER L 22 25.440 48.425 50.757 1.00 20.85 O ATOM 157 CB SER L 22 24.256 48.100 53.696 1.00 27.44 C ATOM 158 OG SER L 22 23.196 47.814 54.590 1.00 40.03 O ATOM 159 N CYS L 23 25.288 50.431 51.763 1.00 22.21 N ATOM 160 CA CYS L 23 26.410 50.989 51.038 1.00 24.67 C ATOM 161 C CYS L 23 27.253 51.856 51.951 1.00 24.91 C ATOM 162 O CYS L 23 26.731 52.740 52.626 1.00 26.77 O ATOM 163 CB CYS L 23 25.925 51.824 49.868 1.00 27.61 C ATOM 164 SG CYS L 23 27.322 52.421 48.887 1.00 39.58 S ATOM 165 N GLU L 24 28.560 51.615 51.956 1.00 26.57 N ATOM 166 CA GLU L 24 29.464 52.379 52.807 1.00 28.88 C ATOM 167 C GLU L 24 30.595 53.036 52.026 1.00 24.96 C ATOM 168 O GLU L 24 31.211 52.420 51.157 1.00 19.29 O ATOM 169 CB GLU L 24 30.052 51.467 53.888 1.00 37.33 C ATOM 170 CG GLU L 24 29.002 50.836 54.784 1.00 48.95 C ATOM 171 CD GLU L 24 29.597 49.887 55.806 1.00 57.09 C ATOM 172 OE1 GLU L 24 30.219 48.883 55.393 1.00 62.46 O ATOM 173 OE2 GLU L 24 29.441 50.145 57.020 1.00 61.25 O ATOM 174 N SER L 25 30.865 54.297 52.341 1.00 23.05 N ATOM 175 CA SER L 25 31.930 55.022 51.673 1.00 24.10 C ATOM 176 C SER L 25 33.067 55.236 52.655 1.00 23.38 C ATOM 177 O SER L 25 32.841 55.392 53.852 1.00 23.77 O ATOM 178 CB SER L 25 31.416 56.366 51.155 1.00 23.21 C ATOM 179 OG SER L 25 30.726 57.062 52.173 1.00 24.94 O ATOM 180 N SER L 26 34.289 55.231 52.138 1.00 23.43 N ATOM 181 CA SER L 26 35.479 55.413 52.954 1.00 22.76 C ATOM 182 C SER L 26 35.608 56.852 53.457 1.00 25.79 C ATOM 183 O SER L 26 36.287 57.116 54.453 1.00 27.95 O ATOM 184 CB SER L 26 36.710 55.017 52.139 1.00 23.39 C ATOM 185 OG SER L 26 36.700 55.655 50.875 1.00 21.58 O ATOM 186 N GLN L 27 34.953 57.779 52.765 1.00 23.64 N ATOM 187 CA GLN L 27 34.976 59.187 53.137 1.00 24.84 C ATOM 188 C GLN L 27 33.556 59.729 53.163 1.00 25.95 C ATOM 189 O GLN L 27 32.674 59.212 52.477 1.00 26.41 O ATOM 190 CB GLN L 27 35.795 60.003 52.135 1.00 27.09 C ATOM 191 CG GLN L 27 37.289 59.974 52.353 1.00 35.67 C ATOM 192 CD GLN L 27 38.025 60.825 51.338 1.00 38.53 C ATOM 193 OE1 GLN L 27 38.362 60.364 50.247 1.00 43.32 O ATOM 194 NE2 GLN L 27 38.259 62.085 51.685 1.00 40.19 N ATOM 195 N SER L 27A 33.340 60.773 53.956 1.00 21.30 N ATOM 196 CA SER L 27A 32.027 61.383 54.049 1.00 23.38 C ATOM 197 C SER L 27A 31.607 61.916 52.682 1.00 22.05 C ATOM 198 O SER L 27A 32.399 62.542 51.983 1.00 19.83 O ATOM 199 CB SER L 27A 32.049 62.535 55.050 1.00 20.17 C ATOM 200 OG SER L 27A 30.809 63.216 55.043 1.00 24.39 O ATOM 201 N LEU L 27B 30.356 61.674 52.308 1.00 21.73 N ATOM 202 CA LEU L 27B 29.860 62.146 51.025 1.00 20.41 C ATOM 203 C LEU L 27B 29.171 63.503 51.159 1.00 21.13 C ATOM 204 O LEU L 27B 28.436 63.922 50.266 1.00 21.34 O ATOM 205 CB LEU L 27B 28.899 61.119 50.421 1.00 17.54 C ATOM 206 CG LEU L 27B 29.492 59.710 50.243 1.00 21.70 C ATOM 207 CD1 LEU L 27B 28.487 58.814 49.537 1.00 19.78 C ATOM 208 CD2 LEU L 27B 30.779 59.784 49.437 1.00 17.87 C ATOM 209 N LEU L 27C 29.411 64.192 52.274 1.00 19.63 N ATOM 210 CA LEU L 27C 28.818 65.509 52.480 1.00 20.26 C ATOM 211 C LEU L 27C 29.631 66.525 51.679 1.00 20.73 C ATOM 212 O LEU L 27C 30.858 66.568 51.777 1.00 20.62 O ATOM 213 CB LEU L 27C 28.825 65.874 53.966 1.00 22.61 C ATOM 214 CG LEU L 27C 28.110 67.173 54.344 1.00 24.16 C ATOM 215 CD1 LEU L 27C 26.639 67.082 53.959 1.00 24.09 C ATOM 216 CD2 LEU L 27C 28.253 67.415 55.842 1.00 27.61 C ATOM 217 N TYR L 27D 28.947 67.330 50.874 1.00 20.20 N ATOM 218 CA TYR L 27D 29.621 68.320 50.044 1.00 23.42 C ATOM 219 C TYR L 27D 29.679 69.681 50.742 1.00 23.19 C ATOM 220 O TYR L 27D 29.025 69.888 51.761 1.00 23.52 O ATOM 221 CB TYR L 27D 28.912 68.439 48.689 1.00 25.39 C ATOM 222 CG TYR L 27D 29.754 69.103 47.627 1.00 30.37 C ATOM 223 CD1 TYR L 27D 30.986 68.569 47.260 1.00 34.82 C ATOM 224 CD2 TYR L 27D 29.331 70.271 46.999 1.00 33.19 C ATOM 225 CE1 TYR L 27D 31.779 69.181 46.291 1.00 38.04 C ATOM 226 CE2 TYR L 27D 30.117 70.894 46.030 1.00 34.49 C ATOM 227 CZ TYR L 27D 31.338 70.341 45.684 1.00 36.73 C ATOM 228 OH TYR L 27D 32.119 70.940 44.729 1.00 41.25 O ATOM 229 N SER L 27E 30.451 70.606 50.179 1.00 22.89 N ATOM 230 CA SER L 27E 30.626 71.927 50.774 1.00 25.51 C ATOM 231 C SER L 27E 29.380 72.811 50.794 1.00 26.55 C ATOM 232 O SER L 27E 29.359 73.843 51.476 1.00 27.33 O ATOM 233 CB SER L 27E 31.782 72.660 50.087 1.00 22.60 C ATOM 234 OG SER L 27E 31.528 72.845 48.708 1.00 29.11 O ATOM 235 N ASN L 28 28.346 72.417 50.056 1.00 23.50 N ATOM 236 CA ASN L 28 27.105 73.184 50.038 1.00 19.92 C ATOM 237 C ASN L 28 26.098 72.552 50.990 1.00 22.34 C ATOM 238 O ASN L 28 24.961 73.006 51.099 1.00 25.95 O ATOM 239 CB ASN L 28 26.518 73.254 48.626 1.00 19.19 C ATOM 240 CG ASN L 28 26.363 71.885 47.985 1.00 22.32 C ATOM 241 OD1 ASN L 28 26.390 70.860 48.664 1.00 19.98 O ATOM 242 ND2 ASN L 28 26.185 71.866 46.669 1.00 21.69 N ATOM 243 N GLY L 29 26.522 71.499 51.679 1.00 23.30 N ATOM 244 CA GLY L 29 25.644 70.846 52.634 1.00 23.12 C ATOM 245 C GLY L 29 24.822 69.680 52.115 1.00 25.74 C ATOM 246 O GLY L 29 24.034 69.092 52.860 1.00 22.95 O ATOM 247 N LYS L 30 24.999 69.336 50.845 1.00 25.83 N ATOM 248 CA LYS L 30 24.256 68.227 50.260 1.00 26.77 C ATOM 249 C LYS L 30 25.144 66.998 50.164 1.00 26.51 C ATOM 250 O LYS L 30 26.366 67.112 50.070 1.00 24.03 O ATOM 251 CB LYS L 30 23.754 68.606 48.864 1.00 28.32 C ATOM 252 CG LYS L 30 22.865 69.841 48.841 1.00 34.89 C ATOM 253 CD LYS L 30 22.366 70.137 47.433 1.00 43.34 C ATOM 254 CE LYS L 30 21.493 71.389 47.403 1.00 47.80 C ATOM 255 NZ LYS L 30 20.322 71.286 48.325 1.00 45.05 N ATOM 256 N THR L 31 24.532 65.822 50.203 1.00 24.46 N ATOM 257 CA THR L 31 25.286 64.585 50.090 1.00 25.48 C ATOM 258 C THR L 31 24.889 63.885 48.788 1.00 25.18 C ATOM 259 O THR L 31 23.766 63.390 48.638 1.00 22.28 O ATOM 260 CB THR L 31 25.060 63.673 51.328 1.00 27.75 C ATOM 261 OG1 THR L 31 25.454 62.329 51.020 1.00 28.87 O ATOM 262 CG2 THR L 31 23.614 63.705 51.763 1.00 35.45 C ATOM 263 N TYR L 32 25.823 63.871 47.839 1.00 21.74 N ATOM 264 CA TYR L 32 25.586 63.274 46.533 1.00 21.62 C ATOM 265 C TYR L 32 25.767 61.759 46.475 1.00 20.47 C ATOM 266 O TYR L 32 26.821 61.264 46.088 1.00 20.35 O ATOM 267 CB TYR L 32 26.490 63.937 45.487 1.00 25.26 C ATOM 268 CG TYR L 32 26.284 65.430 45.356 1.00 29.46 C ATOM 269 CD1 TYR L 32 25.008 65.967 45.195 1.00 30.70 C ATOM 270 CD2 TYR L 32 27.365 66.307 45.385 1.00 32.63 C ATOM 271 CE1 TYR L 32 24.812 67.337 45.067 1.00 29.14 C ATOM 272 CE2 TYR L 32 27.180 67.679 45.256 1.00 31.78 C ATOM 273 CZ TYR L 32 25.902 68.187 45.099 1.00 32.44 C ATOM 274 OH TYR L 32 25.717 69.544 44.974 1.00 25.41 O ATOM 275 N LEU L 33 24.735 61.027 46.879 1.00 16.46 N ATOM 276 CA LEU L 33 24.767 59.574 46.833 1.00 14.29 C ATOM 277 C LEU L 33 23.527 59.123 46.068 1.00 14.89 C ATOM 278 O LEU L 33 22.395 59.460 46.446 1.00 14.83 O ATOM 279 CB LEU L 33 24.736 58.958 48.235 1.00 19.02 C ATOM 280 CG LEU L 33 24.644 57.438 48.062 1.00 24.27 C ATOM 281 CD1 LEU L 33 26.041 56.839 47.953 1.00 23.06 C ATOM 282 CD2 LEU L 33 23.882 56.836 49.195 1.00 26.31 C ATOM 283 N ASN L 34 23.748 58.359 45.004 1.00 14.89 N ATOM 284 CA ASN L 34 22.672 57.871 44.152 1.00 13.35 C ATOM 285 C ASN L 34 22.613 56.353 44.160 1.00 16.45 C ATOM 286 O ASN L 34 23.578 55.676 44.544 1.00 12.72 O ATOM 287 CB ASN L 34 22.893 58.311 42.699 1.00 17.67 C ATOM 288 CG ASN L 34 23.271 59.778 42.570 1.00 21.95 C ATOM 289 OD1 ASN L 34 22.431 60.667 42.690 1.00 20.35 O ATOM 290 ND2 ASN L 34 24.549 60.032 42.324 1.00 26.68 N ATOM 291 N TRP L 35 21.470 55.831 43.725 1.00 14.93 N ATOM 292 CA TRP L 35 21.263 54.396 43.607 1.00 15.61 C ATOM 293 C TRP L 35 20.778 54.125 42.188 1.00 17.92 C ATOM 294 O TRP L 35 19.873 54.800 41.692 1.00 16.60 O ATOM 295 CB TRP L 35 20.211 53.886 44.593 1.00 16.06 C ATOM 296 CG TRP L 35 20.643 53.848 46.010 1.00 14.52 C ATOM 297 CD1 TRP L 35 20.390 54.783 46.967 1.00 16.42 C ATOM 298 CD2 TRP L 35 21.376 52.799 46.655 1.00 17.46 C ATOM 299 NE1 TRP L 35 20.911 54.380 48.173 1.00 14.83 N ATOM 300 CE2 TRP L 35 21.523 53.165 48.009 1.00 16.93 C ATOM 301 CE3 TRP L 35 21.922 51.584 46.220 1.00 17.09 C ATOM 302 CZ2 TRP L 35 22.193 52.358 48.937 1.00 14.21 C ATOM 303 CZ3 TRP L 35 22.589 50.780 47.145 1.00 21.53 C ATOM 304 CH2 TRP L 35 22.716 51.173 48.487 1.00 18.08 C ATOM 305 N LEU L 36 21.391 53.140 41.540 1.00 16.84 N ATOM 306 CA LEU L 36 21.021 52.757 40.181 1.00 17.45 C ATOM 307 C LEU L 36 20.530 51.316 40.170 1.00 14.78 C ATOM 308 O LEU L 36 20.886 50.508 41.032 1.00 13.21 O ATOM 309 CB LEU L 36 22.224 52.833 39.234 1.00 14.08 C ATOM 310 CG LEU L 36 23.070 54.096 39.099 1.00 21.94 C ATOM 311 CD1 LEU L 36 24.325 53.755 38.298 1.00 23.95 C ATOM 312 CD2 LEU L 36 22.278 55.193 38.416 1.00 22.33 C ATOM 313 N LEU L 37 19.720 51.006 39.171 1.00 13.66 N ATOM 314 CA LEU L 37 19.204 49.671 38.985 1.00 14.99 C ATOM 315 C LEU L 37 19.459 49.327 37.536 1.00 14.95 C ATOM 316 O LEU L 37 19.079 50.077 36.640 1.00 16.53 O ATOM 317 CB LEU L 37 17.695 49.605 39.256 1.00 16.19 C ATOM 318 CG LEU L 37 17.014 48.332 38.725 1.00 14.96 C ATOM 319 CD1 LEU L 37 17.633 47.097 39.365 1.00 17.06 C ATOM 320 CD2 LEU L 37 15.518 48.393 39.009 1.00 18.19 C ATOM 321 N GLN L 38 20.133 48.210 37.307 1.00 14.33 N ATOM 322 CA GLN L 38 20.394 47.758 35.950 1.00 15.88 C ATOM 323 C GLN L 38 19.678 46.426 35.797 1.00 15.91 C ATOM 324 O GLN L 38 20.130 45.406 36.319 1.00 18.08 O ATOM 325 CB GLN L 38 21.900 47.576 35.706 1.00 17.23 C ATOM 326 CG GLN L 38 22.237 46.899 34.376 1.00 15.66 C ATOM 327 CD GLN L 38 23.722 46.959 34.034 1.00 15.82 C ATOM 328 OE1 GLN L 38 24.574 46.690 34.876 1.00 18.16 O ATOM 329 NE2 GLN L 38 24.032 47.302 32.788 1.00 16.89 N ATOM 330 N ARG L 39 18.543 46.447 35.110 1.00 14.18 N ATOM 331 CA ARG L 39 17.776 45.234 34.873 1.00 20.33 C ATOM 332 C ARG L 39 18.493 44.433 33.791 1.00 21.95 C ATOM 333 O ARG L 39 19.223 44.991 32.974 1.00 22.64 O ATOM 334 CB ARG L 39 16.357 45.571 34.405 1.00 19.28 C ATOM 335 CG ARG L 39 15.519 46.329 35.425 1.00 26.32 C ATOM 336 CD ARG L 39 14.040 46.299 35.050 1.00 30.01 C ATOM 337 NE ARG L 39 13.182 46.834 36.107 1.00 37.68 N ATOM 338 CZ ARG L 39 12.895 48.124 36.268 1.00 42.04 C ATOM 339 NH1 ARG L 39 13.394 49.030 35.435 1.00 42.72 N ATOM 340 NH2 ARG L 39 12.107 48.508 37.265 1.00 41.07 N ATOM 341 N PRO L 40 18.295 43.110 33.773 1.00 25.36 N ATOM 342 CA PRO L 40 18.943 42.262 32.768 1.00 26.92 C ATOM 343 C PRO L 40 18.774 42.791 31.343 1.00 27.27 C ATOM 344 O PRO L 40 17.673 43.147 30.931 1.00 29.19 O ATOM 345 CB PRO L 40 18.259 40.915 32.974 1.00 27.23 C ATOM 346 CG PRO L 40 18.008 40.907 34.452 1.00 27.26 C ATOM 347 CD PRO L 40 17.481 42.303 34.700 1.00 24.09 C ATOM 348 N GLY L 41 19.877 42.854 30.604 1.00 28.99 N ATOM 349 CA GLY L 41 19.831 43.322 29.227 1.00 29.79 C ATOM 350 C GLY L 41 19.474 44.785 29.030 1.00 33.61 C ATOM 351 O GLY L 41 19.016 45.176 27.955 1.00 34.06 O ATOM 352 N GLN L 42 19.685 45.602 30.057 1.00 32.20 N ATOM 353 CA GLN L 42 19.370 47.021 29.960 1.00 29.83 C ATOM 354 C GLN L 42 20.453 47.912 30.554 1.00 27.43 C ATOM 355 O GLN L 42 21.344 47.450 31.271 1.00 25.20 O ATOM 356 CB GLN L 42 18.032 47.307 30.641 1.00 30.55 C ATOM 357 CG GLN L 42 16.863 46.579 30.001 1.00 40.46 C ATOM 358 CD GLN L 42 15.527 47.041 30.540 1.00 46.52 C ATOM 359 OE1 GLN L 42 15.203 48.229 30.487 1.00 53.14 O ATOM 360 NE2 GLN L 42 14.739 46.106 31.060 1.00 48.57 N ATOM 361 N SER L 43 20.381 49.197 30.236 1.00 24.38 N ATOM 362 CA SER L 43 21.356 50.140 30.749 1.00 25.35 C ATOM 363 C SER L 43 20.965 50.523 32.174 1.00 22.38 C ATOM 364 O SER L 43 19.805 50.392 32.571 1.00 17.94 O ATOM 365 CB SER L 43 21.398 51.386 29.862 1.00 27.87 C ATOM 366 OG SER L 43 20.155 52.060 29.894 1.00 37.63 O ATOM 367 N PRO L 44 21.937 50.975 32.974 1.00 20.31 N ATOM 368 CA PRO L 44 21.611 51.361 34.349 1.00 20.54 C ATOM 369 C PRO L 44 20.551 52.458 34.345 1.00 20.65 C ATOM 370 O PRO L 44 20.449 53.240 33.392 1.00 17.85 O ATOM 371 CB PRO L 44 22.948 51.858 34.897 1.00 17.98 C ATOM 372 CG PRO L 44 23.946 51.015 34.155 1.00 19.43 C ATOM 373 CD PRO L 44 23.390 51.035 32.739 1.00 22.70 C ATOM 374 N LYS L 45 19.760 52.504 35.408 1.00 17.24 N ATOM 375 CA LYS L 45 18.718 53.505 35.539 1.00 16.32 C ATOM 376 C LYS L 45 18.751 54.031 36.966 1.00 14.58 C ATOM 377 O LYS L 45 18.753 53.253 37.922 1.00 11.26 O ATOM 378 CB LYS L 45 17.345 52.895 35.248 1.00 22.35 C ATOM 379 CG LYS L 45 16.232 53.917 35.256 1.00 28.96 C ATOM 380 CD LYS L 45 14.869 53.287 35.074 1.00 37.31 C ATOM 381 CE LYS L 45 13.801 54.364 34.907 1.00 43.23 C ATOM 382 NZ LYS L 45 13.790 55.324 36.050 1.00 43.54 N ATOM 383 N ARG L 46 18.793 55.348 37.117 1.00 12.76 N ATOM 384 CA ARG L 46 18.824 55.917 38.454 1.00 16.71 C ATOM 385 C ARG L 46 17.436 55.851 39.103 1.00 14.60 C ATOM 386 O ARG L 46 16.423 56.149 38.461 1.00 14.89 O ATOM 387 CB ARG L 46 19.321 57.365 38.409 1.00 14.67 C ATOM 388 CG ARG L 46 19.789 57.885 39.762 1.00 15.93 C ATOM 389 CD ARG L 46 20.267 59.315 39.663 1.00 15.47 C ATOM 390 NE ARG L 46 19.151 60.240 39.493 1.00 16.37 N ATOM 391 CZ ARG L 46 19.291 61.533 39.236 1.00 16.05 C ATOM 392 NH1 ARG L 46 20.507 62.056 39.116 1.00 13.47 N ATOM 393 NH2 ARG L 46 18.217 62.302 39.101 1.00 12.81 N ATOM 394 N LEU L 47 17.412 55.444 40.372 1.00 14.40 N ATOM 395 CA LEU L 47 16.181 55.321 41.154 1.00 15.42 C ATOM 396 C LEU L 47 16.122 56.408 42.220 1.00 18.73 C ATOM 397 O LEU L 47 15.076 57.027 42.443 1.00 19.02 O ATOM 398 CB LEU L 47 16.128 53.970 41.872 1.00 12.06 C ATOM 399 CG LEU L 47 16.204 52.684 41.048 1.00 19.55 C ATOM 400 CD1 LEU L 47 16.092 51.490 41.987 1.00 18.49 C ATOM 401 CD2 LEU L 47 15.088 52.652 40.008 1.00 19.39 C ATOM 402 N ILE L 48 17.263 56.625 42.871 1.00 18.50 N ATOM 403 CA ILE L 48 17.383 57.595 43.950 1.00 16.46 C ATOM 404 C ILE L 48 18.610 58.490 43.825 1.00 16.98 C ATOM 405 O ILE L 48 19.681 58.025 43.457 1.00 14.42 O ATOM 406 CB ILE L 48 17.479 56.865 45.309 1.00 18.05 C ATOM 407 CG1 ILE L 48 16.187 56.094 45.573 1.00 19.86 C ATOM 408 CG2 ILE L 48 17.781 57.859 46.422 1.00 17.08 C ATOM 409 CD1 ILE L 48 16.163 55.366 46.893 1.00 25.31 C ATOM 410 N TYR L 49 18.442 59.772 44.141 1.00 16.21 N ATOM 411 CA TYR L 49 19.547 60.731 44.120 1.00 17.49 C ATOM 412 C TYR L 49 19.484 61.562 45.408 1.00 17.53 C ATOM 413 O TYR L 49 18.455 61.587 46.083 1.00 18.53 O ATOM 414 CB TYR L 49 19.482 61.641 42.884 1.00 15.12 C ATOM 415 CG TYR L 49 18.260 62.531 42.780 1.00 18.97 C ATOM 416 CD1 TYR L 49 17.036 62.028 42.339 1.00 19.08 C ATOM 417 CD2 TYR L 49 18.339 63.889 43.094 1.00 18.51 C ATOM 418 CE1 TYR L 49 15.916 62.863 42.207 1.00 18.77 C ATOM 419 CE2 TYR L 49 17.233 64.727 42.969 1.00 22.10 C ATOM 420 CZ TYR L 49 16.029 64.210 42.525 1.00 22.13 C ATOM 421 OH TYR L 49 14.947 65.044 42.403 1.00 24.02 O ATOM 422 N LEU L 50 20.579 62.236 45.748 1.00 18.75 N ATOM 423 CA LEU L 50 20.643 63.028 46.973 1.00 18.23 C ATOM 424 C LEU L 50 20.200 62.198 48.180 1.00 19.33 C ATOM 425 O LEU L 50 19.478 62.677 49.054 1.00 17.93 O ATOM 426 CB LEU L 50 19.781 64.288 46.848 1.00 20.23 C ATOM 427 CG LEU L 50 20.363 65.395 45.961 1.00 17.31 C ATOM 428 CD1 LEU L 50 19.331 66.501 45.779 1.00 18.72 C ATOM 429 CD2 LEU L 50 21.646 65.941 46.591 1.00 7.48 C ATOM 430 N VAL L 51 20.620 60.937 48.193 1.00 18.13 N ATOM 431 CA VAL L 51 20.329 60.009 49.284 1.00 16.91 C ATOM 432 C VAL L 51 18.910 59.465 49.412 1.00 16.58 C ATOM 433 O VAL L 51 18.719 58.260 49.569 1.00 18.45 O ATOM 434 CB VAL L 51 20.715 60.632 50.661 1.00 22.06 C ATOM 435 CG1 VAL L 51 20.414 59.652 51.788 1.00 16.84 C ATOM 436 CG2 VAL L 51 22.195 60.996 50.675 1.00 19.42 C ATOM 437 N SER L 52 17.908 60.330 49.337 1.00 16.63 N ATOM 438 CA SER L 52 16.546 59.856 49.539 1.00 19.17 C ATOM 439 C SER L 52 15.482 60.349 48.575 1.00 19.81 C ATOM 440 O SER L 52 14.302 60.088 48.788 1.00 21.93 O ATOM 441 CB SER L 52 16.116 60.208 50.961 1.00 20.87 C ATOM 442 OG SER L 52 16.182 61.614 51.148 1.00 21.76 O ATOM 443 N LYS L 53 15.876 61.058 47.525 1.00 20.59 N ATOM 444 CA LYS L 53 14.895 61.558 46.571 1.00 23.42 C ATOM 445 C LYS L 53 14.646 60.569 45.443 1.00 22.07 C ATOM 446 O LYS L 53 15.580 60.121 44.781 1.00 24.54 O ATOM 447 CB LYS L 53 15.345 62.903 45.999 1.00 25.03 C ATOM 448 CG LYS L 53 15.217 64.046 46.985 1.00 29.66 C ATOM 449 CD LYS L 53 15.684 65.358 46.393 1.00 33.90 C ATOM 450 CE LYS L 53 15.349 66.506 47.327 1.00 42.85 C ATOM 451 NZ LYS L 53 15.833 66.239 48.715 1.00 47.15 N ATOM 452 N LEU L 54 13.378 60.234 45.234 1.00 20.82 N ATOM 453 CA LEU L 54 12.995 59.301 44.188 1.00 22.53 C ATOM 454 C LEU L 54 12.900 59.965 42.826 1.00 25.63 C ATOM 455 O LEU L 54 12.310 61.039 42.684 1.00 23.36 O ATOM 456 CB LEU L 54 11.647 58.656 44.512 1.00 24.44 C ATOM 457 CG LEU L 54 11.621 57.447 45.451 1.00 28.62 C ATOM 458 CD1 LEU L 54 12.227 57.817 46.795 1.00 32.75 C ATOM 459 CD2 LEU L 54 10.182 56.973 45.620 1.00 29.37 C ATOM 460 N ASP L 55 13.499 59.324 41.828 1.00 23.13 N ATOM 461 CA ASP L 55 13.442 59.823 40.465 1.00 22.15 C ATOM 462 C ASP L 55 12.016 59.598 39.980 1.00 23.92 C ATOM 463 O ASP L 55 11.273 58.812 40.574 1.00 20.33 O ATOM 464 CB ASP L 55 14.435 59.064 39.581 1.00 19.91 C ATOM 465 CG ASP L 55 15.832 59.666 39.630 1.00 21.77 C ATOM 466 OD1 ASP L 55 16.013 60.777 39.094 1.00 20.55 O ATOM 467 OD2 ASP L 55 16.742 59.039 40.212 1.00 23.10 O ATOM 468 N SER L 56 11.637 60.291 38.912 1.00 26.03 N ATOM 469 CA SER L 56 10.295 60.175 38.352 1.00 31.82 C ATOM 470 C SER L 56 10.022 58.754 37.879 1.00 31.81 C ATOM 471 O SER L 56 10.879 58.128 37.259 1.00 35.23 O ATOM 472 CB SER L 56 10.136 61.124 37.164 1.00 33.67 C ATOM 473 OG SER L 56 10.702 62.389 37.448 1.00 43.12 O ATOM 474 N GLY L 57 8.826 58.254 38.167 1.00 33.54 N ATOM 475 CA GLY L 57 8.459 56.917 37.736 1.00 33.25 C ATOM 476 C GLY L 57 8.796 55.808 38.710 1.00 34.17 C ATOM 477 O GLY L 57 8.238 54.713 38.626 1.00 37.35 O ATOM 478 N VAL L 58 9.708 56.082 39.634 1.00 31.48 N ATOM 479 CA VAL L 58 10.110 55.086 40.617 1.00 26.25 C ATOM 480 C VAL L 58 9.018 54.903 41.679 1.00 29.64 C ATOM 481 O VAL L 58 8.556 55.867 42.288 1.00 28.05 O ATOM 482 CB VAL L 58 11.446 55.495 41.290 1.00 26.35 C ATOM 483 CG1 VAL L 58 11.892 54.431 42.278 1.00 22.70 C ATOM 484 CG2 VAL L 58 12.515 55.710 40.223 1.00 18.63 C ATOM 485 N PRO L 59 8.584 53.652 41.903 1.00 30.43 N ATOM 486 CA PRO L 59 7.548 53.310 42.883 1.00 32.06 C ATOM 487 C PRO L 59 7.850 53.737 44.320 1.00 32.74 C ATOM 488 O PRO L 59 9.002 53.749 44.756 1.00 33.07 O ATOM 489 CB PRO L 59 7.443 51.796 42.751 1.00 33.06 C ATOM 490 CG PRO L 59 7.753 51.571 41.313 1.00 32.07 C ATOM 491 CD PRO L 59 8.944 52.469 41.104 1.00 29.67 C ATOM 492 N ASP L 60 6.788 54.070 45.045 1.00 31.16 N ATOM 493 CA ASP L 60 6.857 54.499 46.439 1.00 32.37 C ATOM 494 C ASP L 60 7.462 53.402 47.328 1.00 30.41 C ATOM 495 O ASP L 60 7.812 53.650 48.484 1.00 27.13 O ATOM 496 CB ASP L 60 5.436 54.839 46.915 1.00 40.86 C ATOM 497 CG ASP L 60 5.411 55.551 48.255 1.00 49.34 C ATOM 498 OD1 ASP L 60 5.969 55.012 49.235 1.00 54.47 O ATOM 499 OD2 ASP L 60 4.818 56.650 48.332 1.00 53.40 O ATOM 500 N ARG L 61 7.574 52.189 46.788 1.00 28.18 N ATOM 501 CA ARG L 61 8.127 51.057 47.534 1.00 26.81 C ATOM 502 C ARG L 61 9.598 51.258 47.872 1.00 24.82 C ATOM 503 O ARG L 61 10.115 50.657 48.818 1.00 24.48 O ATOM 504 CB ARG L 61 8.006 49.762 46.729 1.00 30.87 C ATOM 505 CG ARG L 61 6.619 49.440 46.216 1.00 37.65 C ATOM 506 CD ARG L 61 6.533 47.970 45.840 1.00 39.88 C ATOM 507 NE ARG L 61 7.602 47.558 44.931 1.00 39.46 N ATOM 508 CZ ARG L 61 7.653 47.885 43.647 1.00 36.67 C ATOM 509 NH1 ARG L 61 6.696 48.632 43.113 1.00 43.76 N ATOM 510 NH2 ARG L 61 8.655 47.462 42.896 1.00 32.38 N ATOM 511 N PHE L 62 10.280 52.082 47.086 1.00 21.85 N ATOM 512 CA PHE L 62 11.697 52.330 47.326 1.00 24.54 C ATOM 513 C PHE L 62 11.902 53.494 48.277 1.00 23.56 C ATOM 514 O PHE L 62 11.208 54.509 48.201 1.00 20.33 O ATOM 515 CB PHE L 62 12.438 52.615 46.013 1.00 21.32 C ATOM 516 CG PHE L 62 12.565 51.419 45.118 1.00 24.06 C ATOM 517 CD1 PHE L 62 11.506 51.018 44.311 1.00 25.50 C ATOM 518 CD2 PHE L 62 13.741 50.677 45.095 1.00 26.55 C ATOM 519 CE1 PHE L 62 11.621 49.892 43.494 1.00 24.36 C ATOM 520 CE2 PHE L 62 13.863 49.551 44.283 1.00 25.25 C ATOM 521 CZ PHE L 62 12.803 49.159 43.483 1.00 21.45 C ATOM 522 N THR L 63 12.857 53.327 49.181 1.00 22.89 N ATOM 523 CA THR L 63 13.184 54.359 50.146 1.00 24.67 C ATOM 524 C THR L 63 14.686 54.376 50.396 1.00 22.41 C ATOM 525 O THR L 63 15.301 53.336 50.628 1.00 22.38 O ATOM 526 CB THR L 63 12.439 54.124 51.474 1.00 27.75 C ATOM 527 OG1 THR L 63 11.033 54.300 51.260 1.00 34.04 O ATOM 528 CG2 THR L 63 12.909 55.105 52.538 1.00 30.09 C ATOM 529 N GLY L 64 15.272 55.565 50.329 1.00 23.19 N ATOM 530 CA GLY L 64 16.694 55.709 50.568 1.00 17.74 C ATOM 531 C GLY L 64 16.943 56.537 51.815 1.00 20.94 C ATOM 532 O GLY L 64 16.227 57.499 52.084 1.00 20.63 O ATOM 533 N SER L 65 17.951 56.158 52.592 1.00 20.93 N ATOM 534 CA SER L 65 18.292 56.896 53.799 1.00 20.49 C ATOM 535 C SER L 65 19.779 56.737 54.090 1.00 20.64 C ATOM 536 O SER L 65 20.489 56.028 53.382 1.00 20.55 O ATOM 537 CB SER L 65 17.476 56.382 54.982 1.00 19.60 C ATOM 538 OG SER L 65 17.832 55.049 55.285 1.00 26.02 O ATOM 539 N GLY L 66 20.249 57.397 55.138 1.00 21.77 N ATOM 540 CA GLY L 66 21.652 57.295 55.489 1.00 22.74 C ATOM 541 C GLY L 66 22.255 58.669 55.643 1.00 24.85 C ATOM 542 O GLY L 66 21.587 59.679 55.417 1.00 24.29 O ATOM 543 N SER L 67 23.526 58.719 56.010 1.00 27.01 N ATOM 544 CA SER L 67 24.177 60.002 56.201 1.00 30.72 C ATOM 545 C SER L 67 25.669 59.800 56.402 1.00 29.06 C ATOM 546 O SER L 67 26.099 58.769 56.916 1.00 27.98 O ATOM 547 CB SER L 67 23.567 60.698 57.425 1.00 32.77 C ATOM 548 OG SER L 67 24.090 61.998 57.603 1.00 40.98 O ATOM 549 N GLY L 68 26.457 60.785 55.985 1.00 29.28 N ATOM 550 CA GLY L 68 27.895 60.695 56.152 1.00 28.85 C ATOM 551 C GLY L 68 28.592 59.615 55.351 1.00 29.75 C ATOM 552 O GLY L 68 29.005 59.849 54.211 1.00 32.70 O ATOM 553 N THR L 69 28.737 58.432 55.944 1.00 30.01 N ATOM 554 CA THR L 69 29.414 57.329 55.268 1.00 27.46 C ATOM 555 C THR L 69 28.583 56.049 55.167 1.00 25.79 C ATOM 556 O THR L 69 29.022 55.080 54.550 1.00 24.35 O ATOM 557 CB THR L 69 30.742 56.973 55.975 1.00 27.91 C ATOM 558 OG1 THR L 69 30.463 56.420 57.267 1.00 26.61 O ATOM 559 CG2 THR L 69 31.611 58.212 56.138 1.00 24.72 C ATOM 560 N ASP L 70 27.396 56.039 55.771 1.00 22.97 N ATOM 561 CA ASP L 70 26.539 54.852 55.732 1.00 25.61 C ATOM 562 C ASP L 70 25.186 55.164 55.124 1.00 22.62 C ATOM 563 O ASP L 70 24.489 56.071 55.574 1.00 22.80 O ATOM 564 CB ASP L 70 26.352 54.267 57.133 1.00 28.61 C ATOM 565 CG ASP L 70 27.632 53.681 57.689 1.00 37.03 C ATOM 566 OD1 ASP L 70 28.565 54.458 57.984 1.00 40.10 O ATOM 567 OD2 ASP L 70 27.710 52.440 57.822 1.00 41.86 O ATOM 568 N PHE L 71 24.816 54.386 54.111 1.00 20.71 N ATOM 569 CA PHE L 71 23.567 54.588 53.388 1.00 20.13 C ATOM 570 C PHE L 71 22.842 53.279 53.163 1.00 21.75 C ATOM 571 O PHE L 71 23.469 52.230 53.041 1.00 22.22 O ATOM 572 CB PHE L 71 23.880 55.248 52.053 1.00 19.20 C ATOM 573 CG PHE L 71 24.724 56.471 52.190 1.00 17.28 C ATOM 574 CD1 PHE L 71 24.153 57.686 52.543 1.00 18.11 C ATOM 575 CD2 PHE L 71 26.101 56.398 52.028 1.00 19.84 C ATOM 576 CE1 PHE L 71 24.939 58.813 52.738 1.00 18.03 C ATOM 577 CE2 PHE L 71 26.897 57.518 52.222 1.00 17.27 C ATOM 578 CZ PHE L 71 26.313 58.730 52.579 1.00 18.64 C ATOM 579 N THR L 72 21.516 53.345 53.093 1.00 21.07 N ATOM 580 CA THR L 72 20.718 52.145 52.904 1.00 22.12 C ATOM 581 C THR L 72 19.565 52.343 51.939 1.00 21.14 C ATOM 582 O THR L 72 18.870 53.362 51.985 1.00 22.76 O ATOM 583 CB THR L 72 20.117 51.651 54.242 1.00 24.07 C ATOM 584 OG1 THR L 72 21.157 51.514 55.218 1.00 25.91 O ATOM 585 CG2 THR L 72 19.427 50.298 54.049 1.00 19.04 C ATOM 586 N LEU L 73 19.374 51.355 51.069 1.00 18.96 N ATOM 587 CA LEU L 73 18.283 51.352 50.104 1.00 20.26 C ATOM 588 C LEU L 73 17.314 50.283 50.600 1.00 23.48 C ATOM 589 O LEU L 73 17.718 49.146 50.843 1.00 24.00 O ATOM 590 CB LEU L 73 18.790 50.969 48.711 1.00 20.30 C ATOM 591 CG LEU L 73 17.742 50.649 47.632 1.00 19.01 C ATOM 592 CD1 LEU L 73 16.863 51.855 47.383 1.00 22.55 C ATOM 593 CD2 LEU L 73 18.440 50.250 46.342 1.00 22.81 C ATOM 594 N ARG L 74 16.048 50.645 50.776 1.00 23.90 N ATOM 595 CA ARG L 74 15.059 49.674 51.226 1.00 27.69 C ATOM 596 C ARG L 74 13.892 49.555 50.267 1.00 27.05 C ATOM 597 O ARG L 74 13.446 50.538 49.682 1.00 28.12 O ATOM 598 CB ARG L 74 14.537 50.020 52.625 1.00 33.87 C ATOM 599 CG ARG L 74 15.555 49.761 53.717 1.00 43.57 C ATOM 600 CD ARG L 74 14.999 49.980 55.116 1.00 52.01 C ATOM 601 NE ARG L 74 16.011 49.655 56.122 1.00 59.20 N ATOM 602 CZ ARG L 74 15.846 49.787 57.434 1.00 62.75 C ATOM 603 NH1 ARG L 74 16.834 49.461 58.259 1.00 64.77 N ATOM 604 NH2 ARG L 74 14.700 50.244 57.923 1.00 66.17 N ATOM 605 N ILE L 75 13.429 48.326 50.094 1.00 25.99 N ATOM 606 CA ILE L 75 12.293 48.025 49.238 1.00 27.63 C ATOM 607 C ILE L 75 11.328 47.367 50.216 1.00 27.31 C ATOM 608 O ILE L 75 11.605 46.278 50.725 1.00 28.64 O ATOM 609 CB ILE L 75 12.680 47.030 48.121 1.00 25.47 C ATOM 610 CG1 ILE L 75 13.949 47.519 47.410 1.00 23.16 C ATOM 611 CG2 ILE L 75 11.537 46.908 47.114 1.00 25.23 C ATOM 612 CD1 ILE L 75 14.421 46.604 46.276 1.00 25.74 C ATOM 613 N SER L 76 10.219 48.043 50.503 1.00 28.10 N ATOM 614 CA SER L 76 9.243 47.533 51.462 1.00 28.05 C ATOM 615 C SER L 76 8.580 46.247 50.996 1.00 29.07 C ATOM 616 O SER L 76 8.286 45.370 51.799 1.00 33.00 O ATOM 617 CB SER L 76 8.174 48.590 51.746 1.00 24.33 C ATOM 618 OG SER L 76 7.408 48.865 50.587 1.00 28.42 O ATOM 619 N ARG L 77 8.348 46.137 49.695 1.00 32.79 N ATOM 620 CA ARG L 77 7.718 44.949 49.138 1.00 34.86 C ATOM 621 C ARG L 77 8.290 44.685 47.746 1.00 34.04 C ATOM 622 O ARG L 77 8.099 45.477 46.823 1.00 36.30 O ATOM 623 CB ARG L 77 6.199 45.153 49.077 1.00 39.00 C ATOM 624 CG ARG L 77 5.415 43.995 48.491 1.00 48.60 C ATOM 625 CD ARG L 77 3.918 44.198 48.699 1.00 55.14 C ATOM 626 NE ARG L 77 3.451 45.475 48.164 1.00 59.60 N ATOM 627 CZ ARG L 77 3.442 45.789 46.871 1.00 63.57 C ATOM 628 NH1 ARG L 77 3.875 44.919 45.968 1.00 65.41 N ATOM 629 NH2 ARG L 77 3.000 46.977 46.480 1.00 64.21 N ATOM 630 N VAL L 78 8.998 43.569 47.610 1.00 31.01 N ATOM 631 CA VAL L 78 9.617 43.191 46.345 1.00 30.39 C ATOM 632 C VAL L 78 8.637 42.665 45.300 1.00 27.49 C ATOM 633 O VAL L 78 7.765 41.852 45.604 1.00 27.85 O ATOM 634 CB VAL L 78 10.713 42.116 46.571 1.00 30.51 C ATOM 635 CG1 VAL L 78 11.194 41.560 45.234 1.00 31.54 C ATOM 636 CG2 VAL L 78 11.881 42.721 47.338 1.00 28.69 C ATOM 637 N GLU L 79 8.795 43.141 44.069 1.00 26.98 N ATOM 638 CA GLU L 79 7.972 42.708 42.944 1.00 29.28 C ATOM 639 C GLU L 79 8.919 42.095 41.908 1.00 29.52 C ATOM 640 O GLU L 79 10.124 42.349 41.943 1.00 29.52 O ATOM 641 CB GLU L 79 7.204 43.890 42.341 1.00 30.19 C ATOM 642 CG GLU L 79 6.373 44.662 43.357 1.00 38.46 C ATOM 643 CD GLU L 79 5.200 45.400 42.730 1.00 45.24 C ATOM 644 OE1 GLU L 79 5.392 46.064 41.688 1.00 47.35 O ATOM 645 OE2 GLU L 79 4.083 45.324 43.291 1.00 49.11 O ATOM 646 N ALA L 80 8.379 41.288 40.997 1.00 29.76 N ATOM 647 CA ALA L 80 9.183 40.616 39.974 1.00 29.91 C ATOM 648 C ALA L 80 10.058 41.557 39.144 1.00 29.01 C ATOM 649 O ALA L 80 11.195 41.227 38.800 1.00 25.16 O ATOM 650 CB ALA L 80 8.271 39.808 39.056 1.00 32.00 C ATOM 651 N GLU L 81 9.527 42.730 38.831 1.00 30.57 N ATOM 652 CA GLU L 81 10.257 43.711 38.038 1.00 33.36 C ATOM 653 C GLU L 81 11.455 44.343 38.754 1.00 28.20 C ATOM 654 O GLU L 81 12.194 45.109 38.144 1.00 30.19 O ATOM 655 CB GLU L 81 9.308 44.824 37.574 1.00 39.51 C ATOM 656 CG GLU L 81 8.243 44.394 36.569 1.00 51.62 C ATOM 657 CD GLU L 81 7.271 43.368 37.132 1.00 58.32 C ATOM 658 OE1 GLU L 81 6.734 43.598 38.239 1.00 60.07 O ATOM 659 OE2 GLU L 81 7.037 42.335 36.461 1.00 60.57 O ATOM 660 N ASP L 82 11.654 44.029 40.032 1.00 24.54 N ATOM 661 CA ASP L 82 12.769 44.611 40.780 1.00 22.63 C ATOM 662 C ASP L 82 14.099 43.872 40.598 1.00 22.17 C ATOM 663 O ASP L 82 15.153 44.380 40.995 1.00 21.01 O ATOM 664 CB ASP L 82 12.457 44.667 42.287 1.00 25.45 C ATOM 665 CG ASP L 82 11.251 45.538 42.621 1.00 24.90 C ATOM 666 OD1 ASP L 82 10.998 46.526 41.900 1.00 22.30 O ATOM 667 OD2 ASP L 82 10.566 45.237 43.626 1.00 24.70 O ATOM 668 N LEU L 83 14.062 42.685 40.001 1.00 21.11 N ATOM 669 CA LEU L 83 15.283 41.906 39.827 1.00 21.79 C ATOM 670 C LEU L 83 16.324 42.582 38.943 1.00 18.59 C ATOM 671 O LEU L 83 15.998 43.271 37.980 1.00 15.11 O ATOM 672 CB LEU L 83 14.958 40.495 39.302 1.00 24.29 C ATOM 673 CG LEU L 83 14.406 40.231 37.898 1.00 27.27 C ATOM 674 CD1 LEU L 83 15.532 40.265 36.884 1.00 28.06 C ATOM 675 CD2 LEU L 83 13.744 38.855 37.872 1.00 25.40 C ATOM 676 N GLY L 84 17.590 42.379 39.294 1.00 19.70 N ATOM 677 CA GLY L 84 18.675 42.971 38.536 1.00 17.27 C ATOM 678 C GLY L 84 19.812 43.315 39.468 1.00 17.16 C ATOM 679 O GLY L 84 19.906 42.760 40.562 1.00 16.72 O ATOM 680 N VAL L 85 20.666 44.244 39.050 1.00 16.05 N ATOM 681 CA VAL L 85 21.805 44.638 39.867 1.00 16.03 C ATOM 682 C VAL L 85 21.679 46.078 40.338 1.00 15.07 C ATOM 683 O VAL L 85 21.515 46.992 39.532 1.00 17.13 O ATOM 684 CB VAL L 85 23.136 44.466 39.085 1.00 15.91 C ATOM 685 CG1 VAL L 85 24.319 44.889 39.951 1.00 16.56 C ATOM 686 CG2 VAL L 85 23.296 43.020 38.662 1.00 14.84 C ATOM 687 N TYR L 86 21.739 46.269 41.653 1.00 15.75 N ATOM 688 CA TYR L 86 21.645 47.598 42.236 1.00 16.77 C ATOM 689 C TYR L 86 23.036 48.139 42.525 1.00 18.90 C ATOM 690 O TYR L 86 23.884 47.432 43.068 1.00 23.45 O ATOM 691 CB TYR L 86 20.844 47.566 43.537 1.00 15.76 C ATOM 692 CG TYR L 86 19.387 47.248 43.338 1.00 17.49 C ATOM 693 CD1 TYR L 86 18.963 45.943 43.107 1.00 15.27 C ATOM 694 CD2 TYR L 86 18.432 48.264 43.324 1.00 16.16 C ATOM 695 CE1 TYR L 86 17.623 45.658 42.863 1.00 16.14 C ATOM 696 CE2 TYR L 86 17.096 47.988 43.075 1.00 15.26 C ATOM 697 CZ TYR L 86 16.700 46.684 42.843 1.00 13.24 C ATOM 698 OH TYR L 86 15.383 46.412 42.560 1.00 17.64 O ATOM 699 N TYR L 87 23.274 49.388 42.149 1.00 18.08 N ATOM 700 CA TYR L 87 24.563 50.002 42.402 1.00 14.95 C ATOM 701 C TYR L 87 24.429 51.265 43.216 1.00 17.80 C ATOM 702 O TYR L 87 23.463 52.023 43.105 1.00 16.92 O ATOM 703 CB TYR L 87 25.296 50.383 41.115 1.00 15.51 C ATOM 704 CG TYR L 87 25.619 49.249 40.175 1.00 15.88 C ATOM 705 CD1 TYR L 87 24.736 48.892 39.160 1.00 12.65 C ATOM 706 CD2 TYR L 87 26.842 48.578 40.254 1.00 13.98 C ATOM 707 CE1 TYR L 87 25.059 47.906 38.238 1.00 13.18 C ATOM 708 CE2 TYR L 87 27.177 47.584 39.332 1.00 13.43 C ATOM 709 CZ TYR L 87 26.280 47.259 38.328 1.00 14.55 C ATOM 710 OH TYR L 87 26.602 46.297 37.401 1.00 20.34 O ATOM 711 N CYS L 88 25.454 51.483 44.015 1.00 15.76 N ATOM 712 CA CYS L 88 25.584 52.638 44.872 1.00 22.32 C ATOM 713 C CYS L 88 26.582 53.535 44.130 1.00 17.35 C ATOM 714 O CYS L 88 27.524 53.018 43.537 1.00 17.46 O ATOM 715 CB CYS L 88 26.183 52.156 46.184 1.00 25.30 C ATOM 716 SG CYS L 88 26.437 53.444 47.393 1.00 48.74 S ATOM 717 N VAL L 89 26.394 54.853 44.138 1.00 16.22 N ATOM 718 CA VAL L 89 27.350 55.725 43.448 1.00 16.22 C ATOM 719 C VAL L 89 27.462 57.124 44.058 1.00 19.21 C ATOM 720 O VAL L 89 26.449 57.779 44.332 1.00 18.94 O ATOM 721 CB VAL L 89 27.021 55.828 41.927 1.00 17.57 C ATOM 722 CG1 VAL L 89 25.610 56.331 41.720 1.00 16.58 C ATOM 723 CG2 VAL L 89 28.019 56.740 41.231 1.00 19.58 C ATOM 724 N GLN L 90 28.698 57.578 44.277 1.00 15.38 N ATOM 725 CA GLN L 90 28.915 58.895 44.865 1.00 14.86 C ATOM 726 C GLN L 90 29.462 59.919 43.881 1.00 15.42 C ATOM 727 O GLN L 90 30.271 59.601 43.010 1.00 16.84 O ATOM 728 CB GLN L 90 29.837 58.793 46.093 1.00 12.57 C ATOM 729 CG GLN L 90 31.309 58.425 45.840 1.00 17.62 C ATOM 730 CD GLN L 90 32.152 59.594 45.342 1.00 18.58 C ATOM 731 OE1 GLN L 90 31.914 60.749 45.701 1.00 18.92 O ATOM 732 NE2 GLN L 90 33.156 59.293 44.527 1.00 19.78 N ATOM 733 N GLY L 91 28.996 61.153 44.024 1.00 14.46 N ATOM 734 CA GLY L 91 29.449 62.222 43.160 1.00 17.96 C ATOM 735 C GLY L 91 29.989 63.402 43.947 1.00 19.37 C ATOM 736 O GLY L 91 30.073 64.511 43.426 1.00 25.05 O ATOM 737 N THR L 92 30.355 63.169 45.203 1.00 17.41 N ATOM 738 CA THR L 92 30.892 64.228 46.054 1.00 18.38 C ATOM 739 C THR L 92 32.394 64.431 45.825 1.00 19.60 C ATOM 740 O THR L 92 32.877 65.560 45.798 1.00 20.34 O ATOM 741 CB THR L 92 30.669 63.904 47.546 1.00 15.49 C ATOM 742 OG1 THR L 92 29.264 63.884 47.825 1.00 21.26 O ATOM 743 CG2 THR L 92 31.344 64.948 48.436 1.00 21.66 C ATOM 744 N HIS L 93 33.119 63.330 45.659 1.00 19.71 N ATOM 745 CA HIS L 93 34.563 63.376 45.457 1.00 21.93 C ATOM 746 C HIS L 93 34.958 62.991 44.041 1.00 21.31 C ATOM 747 O HIS L 93 34.300 62.175 43.399 1.00 24.51 O ATOM 748 CB HIS L 93 35.253 62.431 46.439 1.00 22.05 C ATOM 749 CG HIS L 93 34.912 62.697 47.869 1.00 24.92 C ATOM 750 ND1 HIS L 93 35.506 63.702 48.602 1.00 28.88 N ATOM 751 CD2 HIS L 93 34.017 62.105 48.696 1.00 23.28 C ATOM 752 CE1 HIS L 93 34.993 63.716 49.820 1.00 28.99 C ATOM 753 NE2 HIS L 93 34.086 62.757 49.902 1.00 25.25 N ATOM 754 N PHE L 94 36.048 63.575 43.567 1.00 19.99 N ATOM 755 CA PHE L 94 36.545 63.301 42.229 1.00 22.72 C ATOM 756 C PHE L 94 37.661 62.264 42.320 1.00 21.64 C ATOM 757 O PHE L 94 38.567 62.395 43.142 1.00 28.16 O ATOM 758 CB PHE L 94 37.064 64.603 41.613 1.00 25.40 C ATOM 759 CG PHE L 94 37.487 64.474 40.185 1.00 28.81 C ATOM 760 CD1 PHE L 94 38.716 63.917 39.856 1.00 30.47 C ATOM 761 CD2 PHE L 94 36.645 64.897 39.161 1.00 30.95 C ATOM 762 CE1 PHE L 94 39.104 63.782 38.526 1.00 27.48 C ATOM 763 CE2 PHE L 94 37.024 64.765 37.830 1.00 29.08 C ATOM 764 CZ PHE L 94 38.257 64.205 37.516 1.00 26.89 C ATOM 765 N PRO L 95 37.603 61.205 41.494 1.00 19.24 N ATOM 766 CA PRO L 95 36.575 60.915 40.491 1.00 20.09 C ATOM 767 C PRO L 95 35.377 60.152 41.051 1.00 18.33 C ATOM 768 O PRO L 95 35.457 59.516 42.103 1.00 17.07 O ATOM 769 CB PRO L 95 37.336 60.082 39.469 1.00 18.87 C ATOM 770 CG PRO L 95 38.210 59.249 40.351 1.00 15.80 C ATOM 771 CD PRO L 95 38.739 60.275 41.344 1.00 19.88 C ATOM 772 N ARG L 96 34.267 60.217 40.324 1.00 19.22 N ATOM 773 CA ARG L 96 33.046 59.525 40.703 1.00 16.81 C ATOM 774 C ARG L 96 33.356 58.033 40.751 1.00 16.75 C ATOM 775 O ARG L 96 34.053 57.520 39.883 1.00 14.32 O ATOM 776 CB ARG L 96 31.955 59.809 39.663 1.00 20.25 C ATOM 777 CG ARG L 96 30.690 58.974 39.805 1.00 21.91 C ATOM 778 CD ARG L 96 29.706 59.374 38.727 1.00 18.74 C ATOM 779 NE ARG L 96 29.491 60.810 38.799 1.00 29.18 N ATOM 780 CZ ARG L 96 28.454 61.386 39.395 1.00 24.53 C ATOM 781 NH1 ARG L 96 27.511 60.651 39.966 1.00 25.00 N ATOM 782 NH2 ARG L 96 28.381 62.705 39.438 1.00 34.42 N ATOM 783 N THR L 97 32.847 57.348 41.771 1.00 13.95 N ATOM 784 CA THR L 97 33.081 55.920 41.932 1.00 16.33 C ATOM 785 C THR L 97 31.780 55.191 42.257 1.00 16.80 C ATOM 786 O THR L 97 30.871 55.768 42.857 1.00 14.18 O ATOM 787 CB THR L 97 34.096 55.649 43.057 1.00 13.03 C ATOM 788 OG1 THR L 97 33.696 56.359 44.235 1.00 17.02 O ATOM 789 CG2 THR L 97 35.488 56.111 42.644 1.00 15.08 C ATOM 790 N PHE L 98 31.704 53.925 41.853 1.00 16.56 N ATOM 791 CA PHE L 98 30.519 53.099 42.075 1.00 16.71 C ATOM 792 C PHE L 98 30.853 51.937 42.994 1.00 17.49 C ATOM 793 O PHE L 98 32.000 51.497 43.047 1.00 16.40 O ATOM 794 CB PHE L 98 30.012 52.478 40.766 1.00 15.96 C ATOM 795 CG PHE L 98 29.822 53.452 39.639 1.00 16.27 C ATOM 796 CD1 PHE L 98 30.908 54.127 39.090 1.00 20.04 C ATOM 797 CD2 PHE L 98 28.559 53.652 39.088 1.00 11.91 C ATOM 798 CE1 PHE L 98 30.743 54.985 38.004 1.00 15.96 C ATOM 799 CE2 PHE L 98 28.383 54.506 38.007 1.00 17.45 C ATOM 800 CZ PHE L 98 29.482 55.174 37.464 1.00 15.89 C ATOM 801 N GLY L 99 29.832 51.431 43.684 1.00 15.92 N ATOM 802 CA GLY L 99 30.001 50.288 44.555 1.00 15.99 C ATOM 803 C GLY L 99 30.064 49.059 43.663 1.00 19.28 C ATOM 804 O GLY L 99 29.798 49.158 42.464 1.00 16.40 O ATOM 805 N GLY L 100 30.390 47.905 44.241 1.00 15.57 N ATOM 806 CA GLY L 100 30.511 46.684 43.461 1.00 17.20 C ATOM 807 C GLY L 100 29.233 46.084 42.908 1.00 18.45 C ATOM 808 O GLY L 100 29.282 45.250 41.999 1.00 19.07 O ATOM 809 N GLY L 101 28.092 46.495 43.450 1.00 16.21 N ATOM 810 CA GLY L 101 26.824 45.971 42.977 1.00 12.89 C ATOM 811 C GLY L 101 26.230 44.882 43.855 1.00 16.63 C ATOM 812 O GLY L 101 26.944 44.117 44.507 1.00 19.11 O ATOM 813 N THR L 102 24.904 44.820 43.874 1.00 15.99 N ATOM 814 CA THR L 102 24.177 43.823 44.645 1.00 15.79 C ATOM 815 C THR L 102 23.144 43.227 43.705 1.00 17.18 C ATOM 816 O THR L 102 22.314 43.948 43.154 1.00 18.05 O ATOM 817 CB THR L 102 23.468 44.461 45.861 1.00 18.01 C ATOM 818 OG1 THR L 102 24.454 44.945 46.779 1.00 18.32 O ATOM 819 CG2 THR L 102 22.580 43.438 46.576 1.00 19.32 C ATOM 820 N LYS L 103 23.204 41.914 43.509 1.00 19.74 N ATOM 821 CA LYS L 103 22.272 41.240 42.614 1.00 18.89 C ATOM 822 C LYS L 103 21.023 40.780 43.349 1.00 19.24 C ATOM 823 O LYS L 103 21.101 40.037 44.321 1.00 16.37 O ATOM 824 CB LYS L 103 22.945 40.031 41.967 1.00 24.56 C ATOM 825 CG LYS L 103 22.185 39.459 40.781 1.00 27.08 C ATOM 826 CD LYS L 103 22.908 38.255 40.207 1.00 35.16 C ATOM 827 CE LYS L 103 22.543 38.030 38.747 1.00 40.81 C ATOM 828 NZ LYS L 103 21.070 37.962 38.526 1.00 46.41 N ATOM 829 N LEU L 104 19.864 41.228 42.890 1.00 19.61 N ATOM 830 CA LEU L 104 18.625 40.814 43.527 1.00 18.56 C ATOM 831 C LEU L 104 17.980 39.719 42.688 1.00 20.05 C ATOM 832 O LEU L 104 17.681 39.921 41.511 1.00 18.81 O ATOM 833 CB LEU L 104 17.668 42.005 43.674 1.00 19.25 C ATOM 834 CG LEU L 104 16.253 41.718 44.196 1.00 20.38 C ATOM 835 CD1 LEU L 104 16.323 40.945 45.490 1.00 26.95 C ATOM 836 CD2 LEU L 104 15.517 43.030 44.410 1.00 25.45 C ATOM 837 N GLU L 105 17.800 38.550 43.297 1.00 20.23 N ATOM 838 CA GLU L 105 17.169 37.422 42.631 1.00 21.84 C ATOM 839 C GLU L 105 15.826 37.189 43.309 1.00 19.89 C ATOM 840 O GLU L 105 15.694 37.363 44.521 1.00 18.85 O ATOM 841 CB GLU L 105 18.015 36.145 42.764 1.00 22.56 C ATOM 842 CG GLU L 105 17.363 34.928 42.089 1.00 28.91 C ATOM 843 CD GLU L 105 17.794 33.585 42.675 1.00 28.52 C ATOM 844 OE1 GLU L 105 17.478 33.304 43.852 1.00 31.75 O ATOM 845 OE2 GLU L 105 18.444 32.802 41.956 1.00 30.07 O ATOM 846 N ILE L 106 14.831 36.800 42.528 1.00 20.63 N ATOM 847 CA ILE L 106 13.513 36.529 43.075 1.00 20.50 C ATOM 848 C ILE L 106 13.496 35.082 43.545 1.00 23.46 C ATOM 849 O ILE L 106 13.718 34.174 42.744 1.00 25.56 O ATOM 850 CB ILE L 106 12.410 36.712 42.007 1.00 23.28 C ATOM 851 CG1 ILE L 106 12.438 38.142 41.462 1.00 20.53 C ATOM 852 CG2 ILE L 106 11.042 36.390 42.606 1.00 18.46 C ATOM 853 CD1 ILE L 106 12.279 39.215 42.529 1.00 25.40 C ATOM 854 N LYS L 107 13.269 34.866 44.838 1.00 23.70 N ATOM 855 CA LYS L 107 13.201 33.506 45.362 1.00 26.21 C ATOM 856 C LYS L 107 11.813 33.020 45.004 1.00 27.53 C ATOM 857 O LYS L 107 10.807 33.546 45.471 1.00 31.16 O ATOM 858 CB LYS L 107 13.400 33.473 46.875 1.00 30.61 C ATOM 859 CG LYS L 107 13.229 32.087 47.471 1.00 35.39 C ATOM 860 CD LYS L 107 13.763 32.011 48.893 1.00 40.95 C ATOM 861 CE LYS L 107 15.283 32.084 48.904 1.00 46.41 C ATOM 862 NZ LYS L 107 15.853 31.866 50.262 1.00 49.96 N ATOM 863 N ARG L 108 11.773 32.004 44.161 1.00 26.17 N ATOM 864 CA ARG L 108 10.525 31.465 43.666 1.00 23.61 C ATOM 865 C ARG L 108 10.414 29.974 44.016 1.00 20.29 C ATOM 866 O ARG L 108 11.364 29.388 44.532 1.00 16.30 O ATOM 867 CB ARG L 108 10.521 31.725 42.154 1.00 23.68 C ATOM 868 CG ARG L 108 9.452 31.075 41.365 1.00 27.29 C ATOM 869 CD ARG L 108 10.072 30.219 40.280 1.00 19.40 C ATOM 870 NE ARG L 108 9.230 29.049 40.112 1.00 24.12 N ATOM 871 CZ ARG L 108 8.202 28.987 39.283 1.00 23.93 C ATOM 872 NH1 ARG L 108 7.901 30.034 38.523 1.00 20.08 N ATOM 873 NH2 ARG L 108 7.454 27.894 39.251 1.00 22.29 N ATOM 874 N ALA L 109 9.254 29.374 43.757 1.00 18.63 N ATOM 875 CA ALA L 109 9.032 27.953 44.038 1.00 18.59 C ATOM 876 C ALA L 109 9.801 27.074 43.045 1.00 17.80 C ATOM 877 O ALA L 109 9.987 27.460 41.896 1.00 16.24 O ATOM 878 CB ALA L 109 7.537 27.635 43.957 1.00 18.15 C ATOM 879 N ASP L 110 10.241 25.897 43.484 1.00 17.16 N ATOM 880 CA ASP L 110 10.981 24.988 42.608 1.00 19.95 C ATOM 881 C ASP L 110 10.211 24.670 41.327 1.00 19.90 C ATOM 882 O ASP L 110 8.997 24.492 41.349 1.00 19.52 O ATOM 883 CB ASP L 110 11.296 23.672 43.325 1.00 22.52 C ATOM 884 CG ASP L 110 12.266 23.846 44.473 1.00 24.08 C ATOM 885 OD1 ASP L 110 12.881 24.925 44.577 1.00 25.66 O ATOM 886 OD2 ASP L 110 12.422 22.891 45.263 1.00 26.01 O ATOM 887 N ALA L 111 10.936 24.580 40.216 1.00 18.87 N ATOM 888 CA ALA L 111 10.337 24.291 38.923 1.00 14.27 C ATOM 889 C ALA L 111 11.255 23.371 38.123 1.00 15.19 C ATOM 890 O ALA L 111 12.435 23.665 37.929 1.00 16.97 O ATOM 891 CB ALA L 111 10.099 25.592 38.164 1.00 12.29 C ATOM 892 N ALA L 112 10.700 22.263 37.651 1.00 13.07 N ATOM 893 CA ALA L 112 11.461 21.286 36.893 1.00 15.40 C ATOM 894 C ALA L 112 11.736 21.743 35.470 1.00 17.41 C ATOM 895 O ALA L 112 10.896 22.374 34.830 1.00 18.71 O ATOM 896 CB ALA L 112 10.722 19.944 36.879 1.00 16.36 C ATOM 897 N PRO L 113 12.926 21.421 34.950 1.00 16.05 N ATOM 898 CA PRO L 113 13.268 21.823 33.588 1.00 17.58 C ATOM 899 C PRO L 113 12.608 20.946 32.532 1.00 18.90 C ATOM 900 O PRO L 113 12.313 19.774 32.775 1.00 19.53 O ATOM 901 CB PRO L 113 14.786 21.684 33.566 1.00 16.01 C ATOM 902 CG PRO L 113 15.002 20.485 34.445 1.00 18.66 C ATOM 903 CD PRO L 113 14.067 20.759 35.610 1.00 14.79 C ATOM 904 N THR L 114 12.370 21.536 31.367 1.00 18.84 N ATOM 905 CA THR L 114 11.809 20.822 30.226 1.00 20.37 C ATOM 906 C THR L 114 13.042 20.638 29.348 1.00 20.61 C ATOM 907 O THR L 114 13.622 21.618 28.882 1.00 17.94 O ATOM 908 CB THR L 114 10.776 21.679 29.462 1.00 25.95 C ATOM 909 OG1 THR L 114 9.708 22.047 30.345 1.00 34.32 O ATOM 910 CG2 THR L 114 10.208 20.901 28.290 1.00 23.64 C ATOM 911 N VAL L 115 13.453 19.391 29.138 1.00 19.54 N ATOM 912 CA VAL L 115 14.643 19.112 28.348 1.00 17.09 C ATOM 913 C VAL L 115 14.339 18.642 26.933 1.00 17.02 C ATOM 914 O VAL L 115 13.458 17.814 26.714 1.00 16.34 O ATOM 915 CB VAL L 115 15.528 18.061 29.061 1.00 16.92 C ATOM 916 CG1 VAL L 115 16.853 17.900 28.329 1.00 16.49 C ATOM 917 CG2 VAL L 115 15.772 18.489 30.504 1.00 16.78 C ATOM 918 N SER L 116 15.080 19.193 25.977 1.00 19.59 N ATOM 919 CA SER L 116 14.926 18.855 24.565 1.00 17.45 C ATOM 920 C SER L 116 16.322 18.638 23.990 1.00 19.10 C ATOM 921 O SER L 116 17.246 19.388 24.307 1.00 18.10 O ATOM 922 CB SER L 116 14.254 20.005 23.813 1.00 18.92 C ATOM 923 OG SER L 116 13.022 20.374 24.404 1.00 25.77 O ATOM 924 N ILE L 117 16.479 17.618 23.150 1.00 18.19 N ATOM 925 CA ILE L 117 17.775 17.343 22.541 1.00 17.31 C ATOM 926 C ILE L 117 17.668 17.422 21.016 1.00 15.86 C ATOM 927 O ILE L 117 16.651 17.045 20.429 1.00 16.41 O ATOM 928 CB ILE L 117 18.320 15.954 22.989 1.00 16.44 C ATOM 929 CG1 ILE L 117 19.797 15.829 22.610 1.00 15.90 C ATOM 930 CG2 ILE L 117 17.499 14.831 22.367 1.00 14.41 C ATOM 931 CD1 ILE L 117 20.499 14.681 23.294 1.00 21.22 C ATOM 932 N PHE L 118 18.713 17.940 20.381 1.00 14.79 N ATOM 933 CA PHE L 118 18.728 18.089 18.932 1.00 14.46 C ATOM 934 C PHE L 118 19.985 17.533 18.281 1.00 18.29 C ATOM 935 O PHE L 118 21.104 17.846 18.696 1.00 17.68 O ATOM 936 CB PHE L 118 18.606 19.563 18.536 1.00 14.37 C ATOM 937 CG PHE L 118 17.347 20.224 19.017 1.00 17.41 C ATOM 938 CD1 PHE L 118 17.265 20.745 20.304 1.00 15.72 C ATOM 939 CD2 PHE L 118 16.226 20.290 18.193 1.00 20.13 C ATOM 940 CE1 PHE L 118 16.086 21.321 20.769 1.00 17.58 C ATOM 941 CE2 PHE L 118 15.034 20.865 18.650 1.00 21.67 C ATOM 942 CZ PHE L 118 14.965 21.381 19.942 1.00 18.40 C ATOM 943 N PRO L 119 19.815 16.700 17.243 1.00 19.81 N ATOM 944 CA PRO L 119 20.959 16.117 16.536 1.00 18.67 C ATOM 945 C PRO L 119 21.472 17.191 15.585 1.00 19.51 C ATOM 946 O PRO L 119 20.796 18.189 15.356 1.00 19.80 O ATOM 947 CB PRO L 119 20.343 14.946 15.761 1.00 18.85 C ATOM 948 CG PRO L 119 19.022 14.694 16.451 1.00 24.77 C ATOM 949 CD PRO L 119 18.558 16.080 16.795 1.00 19.58 C ATOM 950 N PRO L 120 22.676 17.008 15.031 1.00 20.97 N ATOM 951 CA PRO L 120 23.231 17.992 14.098 1.00 21.56 C ATOM 952 C PRO L 120 22.383 18.103 12.829 1.00 25.06 C ATOM 953 O PRO L 120 21.851 17.104 12.339 1.00 22.77 O ATOM 954 CB PRO L 120 24.616 17.431 13.788 1.00 19.92 C ATOM 955 CG PRO L 120 24.977 16.703 15.047 1.00 24.16 C ATOM 956 CD PRO L 120 23.685 16.000 15.397 1.00 20.72 C ATOM 957 N SER L 121 22.266 19.316 12.294 1.00 26.39 N ATOM 958 CA SER L 121 21.509 19.537 11.062 1.00 29.46 C ATOM 959 C SER L 121 22.343 19.026 9.886 1.00 30.81 C ATOM 960 O SER L 121 23.570 18.980 9.972 1.00 31.79 O ATOM 961 CB SER L 121 21.247 21.026 10.870 1.00 29.86 C ATOM 962 OG SER L 121 22.473 21.726 10.750 1.00 27.09 O ATOM 963 N SER L 122 21.687 18.645 8.794 1.00 32.31 N ATOM 964 CA SER L 122 22.406 18.156 7.618 1.00 34.62 C ATOM 965 C SER L 122 23.339 19.237 7.090 1.00 32.62 C ATOM 966 O SER L 122 24.452 18.953 6.643 1.00 32.68 O ATOM 967 CB SER L 122 21.429 17.755 6.511 1.00 38.34 C ATOM 968 OG SER L 122 20.673 16.619 6.886 1.00 47.42 O ATOM 969 N GLU L 123 22.876 20.481 7.142 1.00 28.22 N ATOM 970 CA GLU L 123 23.671 21.606 6.672 1.00 30.40 C ATOM 971 C GLU L 123 25.028 21.679 7.367 1.00 30.09 C ATOM 972 O GLU L 123 26.046 21.940 6.719 1.00 31.18 O ATOM 973 CB GLU L 123 22.902 22.910 6.882 1.00 33.77 C ATOM 974 CG GLU L 123 21.632 22.995 6.056 1.00 40.35 C ATOM 975 CD GLU L 123 20.754 24.170 6.439 1.00 45.31 C ATOM 976 OE1 GLU L 123 21.247 25.317 6.400 1.00 47.85 O ATOM 977 OE2 GLU L 123 19.569 23.943 6.774 1.00 46.12 O ATOM 978 N GLN L 124 25.053 21.443 8.679 1.00 25.71 N ATOM 979 CA GLN L 124 26.314 21.501 9.413 1.00 25.58 C ATOM 980 C GLN L 124 27.228 20.336 9.065 1.00 23.66 C ATOM 981 O GLN L 124 28.422 20.519 8.858 1.00 22.13 O ATOM 982 CB GLN L 124 26.088 21.513 10.933 1.00 24.39 C ATOM 983 CG GLN L 124 27.388 21.767 11.705 1.00 21.71 C ATOM 984 CD GLN L 124 27.238 21.728 13.226 1.00 20.46 C ATOM 985 OE1 GLN L 124 28.169 22.077 13.953 1.00 22.15 O ATOM 986 NE2 GLN L 124 26.080 21.298 13.707 1.00 14.28 N ATOM 987 N LEU L 125 26.663 19.134 9.011 1.00 27.37 N ATOM 988 CA LEU L 125 27.442 17.938 8.691 1.00 32.30 C ATOM 989 C LEU L 125 28.230 18.126 7.398 1.00 34.69 C ATOM 990 O LEU L 125 29.317 17.581 7.237 1.00 35.46 O ATOM 991 CB LEU L 125 26.514 16.723 8.582 1.00 29.48 C ATOM 992 CG LEU L 125 25.886 16.268 9.906 1.00 26.81 C ATOM 993 CD1 LEU L 125 24.844 15.191 9.657 1.00 27.37 C ATOM 994 CD2 LEU L 125 26.979 15.760 10.824 1.00 26.09 C ATOM 995 N THR L 126 27.679 18.916 6.485 1.00 40.52 N ATOM 996 CA THR L 126 28.339 19.182 5.214 1.00 43.58 C ATOM 997 C THR L 126 29.616 19.999 5.407 1.00 44.41 C ATOM 998 O THR L 126 30.556 19.885 4.619 1.00 48.12 O ATOM 999 CB THR L 126 27.390 19.932 4.256 1.00 44.51 C ATOM 1000 OG1 THR L 126 26.300 19.071 3.898 1.00 41.35 O ATOM 1001 CG2 THR L 126 28.128 20.372 3.000 1.00 46.76 C ATOM 1002 N SER L 127 29.656 20.810 6.460 1.00 42.70 N ATOM 1003 CA SER L 127 30.824 21.643 6.739 1.00 42.23 C ATOM 1004 C SER L 127 31.948 20.858 7.409 1.00 40.37 C ATOM 1005 O SER L 127 33.051 21.376 7.591 1.00 41.28 O ATOM 1006 CB SER L 127 30.438 22.826 7.637 1.00 45.53 C ATOM 1007 OG SER L 127 30.295 22.427 8.994 1.00 45.92 O ATOM 1008 N GLY L 128 31.664 19.615 7.784 1.00 38.21 N ATOM 1009 CA GLY L 128 32.672 18.796 8.434 1.00 35.37 C ATOM 1010 C GLY L 128 32.601 18.844 9.950 1.00 35.07 C ATOM 1011 O GLY L 128 33.487 18.332 10.641 1.00 32.83 O ATOM 1012 N GLY L 129 31.543 19.457 10.473 1.00 33.96 N ATOM 1013 CA GLY L 129 31.381 19.554 11.912 1.00 30.00 C ATOM 1014 C GLY L 129 30.061 18.966 12.375 1.00 27.95 C ATOM 1015 O GLY L 129 29.194 18.659 11.559 1.00 26.40 O ATOM 1016 N ALA L 130 29.906 18.808 13.686 1.00 23.55 N ATOM 1017 CA ALA L 130 28.679 18.251 14.238 1.00 24.62 C ATOM 1018 C ALA L 130 28.435 18.758 15.656 1.00 23.91 C ATOM 1019 O ALA L 130 29.219 18.491 16.563 1.00 24.92 O ATOM 1020 CB ALA L 130 28.750 16.728 14.236 1.00 19.30 C ATOM 1021 N SER L 131 27.343 19.491 15.838 1.00 23.29 N ATOM 1022 CA SER L 131 26.995 20.027 17.145 1.00 19.61 C ATOM 1023 C SER L 131 25.692 19.428 17.647 1.00 20.26 C ATOM 1024 O SER L 131 24.680 19.489 16.961 1.00 24.19 O ATOM 1025 CB SER L 131 26.843 21.550 17.076 1.00 16.15 C ATOM 1026 OG SER L 131 28.059 22.175 16.714 1.00 19.83 O ATOM 1027 N VAL L 132 25.721 18.833 18.836 1.00 19.51 N ATOM 1028 CA VAL L 132 24.513 18.276 19.426 1.00 18.55 C ATOM 1029 C VAL L 132 24.078 19.301 20.479 1.00 20.78 C ATOM 1030 O VAL L 132 24.885 19.747 21.296 1.00 17.15 O ATOM 1031 CB VAL L 132 24.767 16.909 20.092 1.00 19.20 C ATOM 1032 CG1 VAL L 132 23.445 16.290 20.510 1.00 13.22 C ATOM 1033 CG2 VAL L 132 25.498 15.984 19.127 1.00 23.47 C ATOM 1034 N VAL L 133 22.802 19.675 20.452 1.00 18.23 N ATOM 1035 CA VAL L 133 22.291 20.682 21.365 1.00 15.80 C ATOM 1036 C VAL L 133 21.236 20.163 22.325 1.00 15.97 C ATOM 1037 O VAL L 133 20.404 19.325 21.983 1.00 17.77 O ATOM 1038 CB VAL L 133 21.700 21.884 20.571 1.00 13.36 C ATOM 1039 CG1 VAL L 133 21.195 22.964 21.526 1.00 13.68 C ATOM 1040 CG2 VAL L 133 22.744 22.439 19.643 1.00 9.78 C ATOM 1041 N CYS L 134 21.282 20.682 23.540 1.00 17.40 N ATOM 1042 CA CYS L 134 20.332 20.302 24.562 1.00 16.32 C ATOM 1043 C CYS L 134 19.844 21.560 25.263 1.00 15.78 C ATOM 1044 O CYS L 134 20.654 22.375 25.699 1.00 15.24 O ATOM 1045 CB CYS L 134 21.010 19.379 25.562 1.00 20.58 C ATOM 1046 SG CYS L 134 19.872 18.600 26.734 1.00 31.17 S ATOM 1047 N PHE L 135 18.525 21.727 25.341 1.00 18.11 N ATOM 1048 CA PHE L 135 17.926 22.878 26.015 1.00 16.09 C ATOM 1049 C PHE L 135 17.230 22.449 27.301 1.00 18.18 C ATOM 1050 O PHE L 135 16.471 21.479 27.310 1.00 20.13 O ATOM 1051 CB PHE L 135 16.879 23.566 25.136 1.00 18.31 C ATOM 1052 CG PHE L 135 17.443 24.276 23.938 1.00 20.82 C ATOM 1053 CD1 PHE L 135 18.473 25.200 24.076 1.00 19.63 C ATOM 1054 CD2 PHE L 135 16.908 24.055 22.676 1.00 21.88 C ATOM 1055 CE1 PHE L 135 18.961 25.897 22.976 1.00 20.73 C ATOM 1056 CE2 PHE L 135 17.390 24.749 21.566 1.00 25.03 C ATOM 1057 CZ PHE L 135 18.418 25.672 21.720 1.00 22.78 C ATOM 1058 N LEU L 136 17.488 23.180 28.380 1.00 13.63 N ATOM 1059 CA LEU L 136 16.869 22.921 29.671 1.00 17.06 C ATOM 1060 C LEU L 136 16.192 24.249 30.014 1.00 16.06 C ATOM 1061 O LEU L 136 16.841 25.185 30.489 1.00 14.67 O ATOM 1062 CB LEU L 136 17.928 22.562 30.719 1.00 18.25 C ATOM 1063 CG LEU L 136 18.829 21.364 30.413 1.00 21.45 C ATOM 1064 CD1 LEU L 136 20.024 21.811 29.585 1.00 21.34 C ATOM 1065 CD2 LEU L 136 19.308 20.749 31.718 1.00 24.55 C ATOM 1066 N ASN L 137 14.889 24.324 29.760 1.00 16.52 N ATOM 1067 CA ASN L 137 14.138 25.553 29.966 1.00 18.54 C ATOM 1068 C ASN L 137 13.248 25.659 31.192 1.00 19.47 C ATOM 1069 O ASN L 137 12.760 24.661 31.728 1.00 18.01 O ATOM 1070 CB ASN L 137 13.278 25.855 28.726 1.00 20.96 C ATOM 1071 CG ASN L 137 14.109 26.075 27.471 1.00 23.88 C ATOM 1072 OD1 ASN L 137 15.219 26.610 27.526 1.00 26.18 O ATOM 1073 ND2 ASN L 137 13.565 25.678 26.329 1.00 26.70 N ATOM 1074 N ASN L 138 13.053 26.909 31.608 1.00 17.59 N ATOM 1075 CA ASN L 138 12.206 27.292 32.729 1.00 18.38 C ATOM 1076 C ASN L 138 12.322 26.464 34.007 1.00 19.05 C ATOM 1077 O ASN L 138 11.358 25.820 34.424 1.00 15.36 O ATOM 1078 CB ASN L 138 10.741 27.324 32.267 1.00 18.43 C ATOM 1079 CG ASN L 138 10.548 28.145 30.997 1.00 22.22 C ATOM 1080 OD1 ASN L 138 10.800 27.671 29.887 1.00 22.47 O ATOM 1081 ND2 ASN L 138 10.111 29.387 31.158 1.00 22.19 N ATOM 1082 N PHE L 139 13.494 26.495 34.636 1.00 14.98 N ATOM 1083 CA PHE L 139 13.695 25.762 35.876 1.00 14.11 C ATOM 1084 C PHE L 139 14.145 26.674 37.021 1.00 15.67 C ATOM 1085 O PHE L 139 14.549 27.815 36.809 1.00 14.51 O ATOM 1086 CB PHE L 139 14.706 24.626 35.663 1.00 17.14 C ATOM 1087 CG PHE L 139 16.079 25.088 35.240 1.00 16.17 C ATOM 1088 CD1 PHE L 139 17.030 25.449 36.189 1.00 13.43 C ATOM 1089 CD2 PHE L 139 16.421 25.149 33.893 1.00 15.00 C ATOM 1090 CE1 PHE L 139 18.305 25.865 35.808 1.00 13.20 C ATOM 1091 CE2 PHE L 139 17.695 25.565 33.496 1.00 17.22 C ATOM 1092 CZ PHE L 139 18.640 25.923 34.454 1.00 15.06 C ATOM 1093 N TYR L 140 14.042 26.161 38.238 1.00 14.36 N ATOM 1094 CA TYR L 140 14.446 26.887 39.436 1.00 14.95 C ATOM 1095 C TYR L 140 14.601 25.843 40.534 1.00 15.08 C ATOM 1096 O TYR L 140 13.777 24.932 40.642 1.00 16.18 O ATOM 1097 CB TYR L 140 13.387 27.931 39.837 1.00 14.28 C ATOM 1098 CG TYR L 140 13.847 28.832 40.962 1.00 13.36 C ATOM 1099 CD1 TYR L 140 13.875 28.376 42.284 1.00 17.13 C ATOM 1100 CD2 TYR L 140 14.349 30.106 40.697 1.00 17.19 C ATOM 1101 CE1 TYR L 140 14.402 29.164 43.315 1.00 14.54 C ATOM 1102 CE2 TYR L 140 14.878 30.903 41.721 1.00 19.10 C ATOM 1103 CZ TYR L 140 14.903 30.424 43.024 1.00 20.15 C ATOM 1104 OH TYR L 140 15.441 31.200 44.030 1.00 20.14 O ATOM 1105 N PRO L 141 15.662 25.947 41.357 1.00 15.78 N ATOM 1106 CA PRO L 141 16.716 26.966 41.330 1.00 17.30 C ATOM 1107 C PRO L 141 17.672 26.880 40.140 1.00 15.63 C ATOM 1108 O PRO L 141 17.627 25.939 39.342 1.00 12.76 O ATOM 1109 CB PRO L 141 17.425 26.756 42.666 1.00 17.74 C ATOM 1110 CG PRO L 141 17.309 25.304 42.863 1.00 22.02 C ATOM 1111 CD PRO L 141 15.866 25.035 42.495 1.00 16.48 C ATOM 1112 N LYS L 142 18.545 27.875 40.044 1.00 18.47 N ATOM 1113 CA LYS L 142 19.514 27.972 38.957 1.00 18.85 C ATOM 1114 C LYS L 142 20.521 26.830 38.928 1.00 15.52 C ATOM 1115 O LYS L 142 21.028 26.479 37.867 1.00 16.21 O ATOM 1116 CB LYS L 142 20.256 29.308 39.064 1.00 25.85 C ATOM 1117 CG LYS L 142 21.265 29.570 37.959 1.00 32.81 C ATOM 1118 CD LYS L 142 21.999 30.881 38.212 1.00 38.93 C ATOM 1119 CE LYS L 142 23.022 31.171 37.126 1.00 42.09 C ATOM 1120 NZ LYS L 142 22.369 31.305 35.799 1.00 47.87 N ATOM 1121 N ASP L 143 20.808 26.251 40.089 1.00 15.98 N ATOM 1122 CA ASP L 143 21.778 25.162 40.183 1.00 19.76 C ATOM 1123 C ASP L 143 21.311 23.924 39.440 1.00 20.48 C ATOM 1124 O ASP L 143 20.237 23.380 39.717 1.00 18.29 O ATOM 1125 CB ASP L 143 22.039 24.801 41.645 1.00 22.61 C ATOM 1126 CG ASP L 143 22.544 25.974 42.447 1.00 26.06 C ATOM 1127 OD1 ASP L 143 23.723 26.349 42.274 1.00 24.44 O ATOM 1128 OD2 ASP L 143 21.753 26.529 43.242 1.00 29.19 O ATOM 1129 N ILE L 144 22.130 23.482 38.496 1.00 16.19 N ATOM 1130 CA ILE L 144 21.808 22.309 37.713 1.00 19.42 C ATOM 1131 C ILE L 144 23.099 21.716 37.150 1.00 21.24 C ATOM 1132 O ILE L 144 24.080 22.424 36.923 1.00 21.92 O ATOM 1133 CB ILE L 144 20.822 22.669 36.575 1.00 19.92 C ATOM 1134 CG1 ILE L 144 20.176 21.401 36.018 1.00 20.37 C ATOM 1135 CG2 ILE L 144 21.546 23.432 35.466 1.00 22.23 C ATOM 1136 CD1 ILE L 144 19.037 21.680 35.049 1.00 20.41 C ATOM 1137 N ASN L 145 23.096 20.407 36.949 1.00 23.65 N ATOM 1138 CA ASN L 145 24.257 19.712 36.429 1.00 27.30 C ATOM 1139 C ASN L 145 23.853 18.938 35.180 1.00 26.78 C ATOM 1140 O ASN L 145 22.936 18.116 35.208 1.00 26.72 O ATOM 1141 CB ASN L 145 24.805 18.760 37.495 1.00 36.37 C ATOM 1142 CG ASN L 145 26.068 18.056 37.053 1.00 45.62 C ATOM 1143 OD1 ASN L 145 27.116 18.682 36.883 1.00 51.88 O ATOM 1144 ND2 ASN L 145 25.977 16.743 36.858 1.00 51.20 N ATOM 1145 N VAL L 146 24.537 19.222 34.080 1.00 23.67 N ATOM 1146 CA VAL L 146 24.263 18.567 32.816 1.00 24.32 C ATOM 1147 C VAL L 146 25.465 17.717 32.433 1.00 24.18 C ATOM 1148 O VAL L 146 26.602 18.167 32.529 1.00 26.85 O ATOM 1149 CB VAL L 146 24.007 19.608 31.702 1.00 24.76 C ATOM 1150 CG1 VAL L 146 23.625 18.913 30.407 1.00 24.31 C ATOM 1151 CG2 VAL L 146 22.907 20.563 32.136 1.00 24.43 C ATOM 1152 N LYS L 147 25.213 16.484 32.018 1.00 22.48 N ATOM 1153 CA LYS L 147 26.285 15.587 31.603 1.00 28.63 C ATOM 1154 C LYS L 147 25.980 15.038 30.224 1.00 26.89 C ATOM 1155 O LYS L 147 24.829 14.734 29.911 1.00 25.73 O ATOM 1156 CB LYS L 147 26.433 14.406 32.568 1.00 33.35 C ATOM 1157 CG LYS L 147 27.290 14.674 33.782 1.00 42.63 C ATOM 1158 CD LYS L 147 27.413 13.418 34.633 1.00 49.12 C ATOM 1159 CE LYS L 147 28.354 13.635 35.806 1.00 52.65 C ATOM 1160 NZ LYS L 147 28.459 12.421 36.661 1.00 57.07 N ATOM 1161 N TRP L 148 27.014 14.920 29.401 1.00 22.69 N ATOM 1162 CA TRP L 148 26.852 14.370 28.068 1.00 19.52 C ATOM 1163 C TRP L 148 27.469 12.989 28.017 1.00 21.40 C ATOM 1164 O TRP L 148 28.559 12.769 28.544 1.00 21.95 O ATOM 1165 CB TRP L 148 27.539 15.240 27.024 1.00 18.93 C ATOM 1166 CG TRP L 148 26.789 16.467 26.683 1.00 16.05 C ATOM 1167 CD1 TRP L 148 26.960 17.705 27.215 1.00 15.60 C ATOM 1168 CD2 TRP L 148 25.757 16.586 25.701 1.00 15.47 C ATOM 1169 NE1 TRP L 148 26.104 18.597 26.622 1.00 17.97 N ATOM 1170 CE2 TRP L 148 25.351 17.936 25.687 1.00 16.42 C ATOM 1171 CE3 TRP L 148 25.136 15.681 24.828 1.00 16.97 C ATOM 1172 CZ2 TRP L 148 24.349 18.411 24.831 1.00 15.78 C ATOM 1173 CZ3 TRP L 148 24.138 16.151 23.975 1.00 17.54 C ATOM 1174 CH2 TRP L 148 23.756 17.507 23.985 1.00 17.61 C ATOM 1175 N LYS L 149 26.765 12.062 27.385 1.00 17.84 N ATOM 1176 CA LYS L 149 27.261 10.707 27.239 1.00 19.97 C ATOM 1177 C LYS L 149 27.199 10.314 25.773 1.00 19.33 C ATOM 1178 O LYS L 149 26.162 10.459 25.126 1.00 18.65 O ATOM 1179 CB LYS L 149 26.429 9.731 28.074 1.00 22.42 C ATOM 1180 CG LYS L 149 26.580 9.911 29.579 1.00 28.84 C ATOM 1181 CD LYS L 149 25.742 8.893 30.324 1.00 32.85 C ATOM 1182 CE LYS L 149 25.932 8.997 31.821 1.00 37.81 C ATOM 1183 NZ LYS L 149 25.028 8.056 32.537 1.00 41.47 N ATOM 1184 N ILE L 150 28.326 9.848 25.249 1.00 17.42 N ATOM 1185 CA ILE L 150 28.415 9.399 23.864 1.00 20.99 C ATOM 1186 C ILE L 150 28.667 7.901 23.988 1.00 21.56 C ATOM 1187 O ILE L 150 29.697 7.481 24.518 1.00 20.44 O ATOM 1188 CB ILE L 150 29.593 10.082 23.132 1.00 21.07 C ATOM 1189 CG1 ILE L 150 29.416 11.600 23.178 1.00 20.67 C ATOM 1190 CG2 ILE L 150 29.662 9.608 21.689 1.00 22.97 C ATOM 1191 CD1 ILE L 150 30.541 12.375 22.522 1.00 21.43 C ATOM 1192 N ASP L 151 27.725 7.098 23.508 1.00 21.23 N ATOM 1193 CA ASP L 151 27.829 5.646 23.632 1.00 21.70 C ATOM 1194 C ASP L 151 28.050 5.271 25.102 1.00 21.71 C ATOM 1195 O ASP L 151 28.870 4.406 25.421 1.00 21.00 O ATOM 1196 CB ASP L 151 28.964 5.077 22.768 1.00 18.71 C ATOM 1197 CG ASP L 151 28.555 4.892 21.313 1.00 21.03 C ATOM 1198 OD1 ASP L 151 27.337 4.877 21.039 1.00 17.93 O ATOM 1199 OD2 ASP L 151 29.446 4.751 20.443 1.00 19.26 O ATOM 1200 N GLY L 152 27.319 5.945 25.989 1.00 19.40 N ATOM 1201 CA GLY L 152 27.410 5.662 27.411 1.00 18.40 C ATOM 1202 C GLY L 152 28.590 6.250 28.162 1.00 21.91 C ATOM 1203 O GLY L 152 28.588 6.254 29.391 1.00 22.54 O ATOM 1204 N SER L 153 29.593 6.745 27.442 1.00 21.41 N ATOM 1205 CA SER L 153 30.777 7.323 28.078 1.00 23.78 C ATOM 1206 C SER L 153 30.614 8.830 28.281 1.00 23.93 C ATOM 1207 O SER L 153 30.161 9.539 27.384 1.00 25.28 O ATOM 1208 CB SER L 153 32.021 7.034 27.226 1.00 26.71 C ATOM 1209 OG SER L 153 33.189 7.593 27.807 1.00 33.36 O ATOM 1210 N GLU L 154 30.983 9.318 29.461 1.00 23.42 N ATOM 1211 CA GLU L 154 30.844 10.740 29.761 1.00 27.46 C ATOM 1212 C GLU L 154 31.868 11.583 29.008 1.00 28.73 C ATOM 1213 O GLU L 154 33.041 11.218 28.918 1.00 23.48 O ATOM 1214 CB GLU L 154 30.984 10.992 31.264 1.00 30.72 C ATOM 1215 CG GLU L 154 30.422 12.338 31.687 1.00 40.94 C ATOM 1216 CD GLU L 154 30.821 12.734 33.093 1.00 44.76 C ATOM 1217 OE1 GLU L 154 30.657 11.909 34.017 1.00 47.13 O ATOM 1218 OE2 GLU L 154 31.291 13.879 33.269 1.00 48.44 O ATOM 1219 N ARG L 155 31.414 12.713 28.473 1.00 28.39 N ATOM 1220 CA ARG L 155 32.275 13.606 27.712 1.00 31.83 C ATOM 1221 C ARG L 155 32.336 15.000 28.332 1.00 35.20 C ATOM 1222 O ARG L 155 31.312 15.659 28.504 1.00 36.17 O ATOM 1223 CB ARG L 155 31.773 13.695 26.265 1.00 35.82 C ATOM 1224 CG ARG L 155 32.479 14.746 25.419 1.00 39.58 C ATOM 1225 CD ARG L 155 33.961 14.461 25.326 1.00 44.28 C ATOM 1226 NE ARG L 155 34.297 13.712 24.124 1.00 50.36 N ATOM 1227 CZ ARG L 155 34.341 14.245 22.908 1.00 51.58 C ATOM 1228 NH1 ARG L 155 34.070 15.533 22.738 1.00 53.09 N ATOM 1229 NH2 ARG L 155 34.660 13.494 21.867 1.00 49.31 N ATOM 1230 N GLN L 156 33.543 15.445 28.663 1.00 36.90 N ATOM 1231 CA GLN L 156 33.740 16.763 29.260 1.00 41.03 C ATOM 1232 C GLN L 156 34.241 17.758 28.217 1.00 40.56 C ATOM 1233 O GLN L 156 33.876 18.931 28.234 1.00 41.63 O ATOM 1234 CB GLN L 156 34.770 16.684 30.394 1.00 46.15 C ATOM 1235 CG GLN L 156 34.398 15.776 31.553 1.00 54.47 C ATOM 1236 CD GLN L 156 33.299 16.355 32.426 1.00 60.74 C ATOM 1237 OE1 GLN L 156 32.166 16.550 31.978 1.00 63.89 O ATOM 1238 NE2 GLN L 156 33.631 16.637 33.682 1.00 61.58 N ATOM 1239 N ASN L 157 35.077 17.271 27.308 1.00 40.13 N ATOM 1240 CA ASN L 157 35.678 18.093 26.265 1.00 39.57 C ATOM 1241 C ASN L 157 34.721 18.546 25.169 1.00 37.34 C ATOM 1242 O ASN L 157 33.940 17.752 24.645 1.00 35.32 O ATOM 1243 CB ASN L 157 36.840 17.330 25.616 1.00 44.69 C ATOM 1244 CG ASN L 157 37.754 16.675 26.640 1.00 53.16 C ATOM 1245 OD1 ASN L 157 37.316 15.845 27.441 1.00 58.47 O ATOM 1246 ND2 ASN L 157 39.032 17.040 26.615 1.00 55.00 N ATOM 1247 N GLY L 158 34.799 19.827 24.822 1.00 33.30 N ATOM 1248 CA GLY L 158 33.967 20.368 23.761 1.00 31.53 C ATOM 1249 C GLY L 158 32.538 20.711 24.126 1.00 28.14 C ATOM 1250 O GLY L 158 31.676 20.796 23.253 1.00 31.41 O ATOM 1251 N VAL L 159 32.273 20.910 25.409 1.00 26.63 N ATOM 1252 CA VAL L 159 30.926 21.252 25.843 1.00 26.51 C ATOM 1253 C VAL L 159 30.859 22.729 26.218 1.00 26.19 C ATOM 1254 O VAL L 159 31.682 23.213 26.987 1.00 28.52 O ATOM 1255 CB VAL L 159 30.497 20.392 27.060 1.00 23.11 C ATOM 1256 CG1 VAL L 159 29.096 20.788 27.528 1.00 19.32 C ATOM 1257 CG2 VAL L 159 30.538 18.919 26.686 1.00 21.08 C ATOM 1258 N LEU L 160 29.889 23.441 25.652 1.00 24.95 N ATOM 1259 CA LEU L 160 29.700 24.859 25.940 1.00 25.07 C ATOM 1260 C LEU L 160 28.345 25.053 26.618 1.00 24.12 C ATOM 1261 O LEU L 160 27.302 24.713 26.050 1.00 19.14 O ATOM 1262 CB LEU L 160 29.748 25.689 24.649 1.00 26.58 C ATOM 1263 CG LEU L 160 31.036 25.645 23.819 1.00 33.27 C ATOM 1264 CD1 LEU L 160 30.931 26.617 22.644 1.00 31.99 C ATOM 1265 CD2 LEU L 160 32.225 26.006 24.699 1.00 32.28 C ATOM 1266 N ASN L 161 28.364 25.595 27.832 1.00 21.11 N ATOM 1267 CA ASN L 161 27.135 25.832 28.576 1.00 23.63 C ATOM 1268 C ASN L 161 26.865 27.318 28.710 1.00 23.38 C ATOM 1269 O ASN L 161 27.792 28.116 28.813 1.00 24.04 O ATOM 1270 CB ASN L 161 27.217 25.207 29.970 1.00 22.67 C ATOM 1271 CG ASN L 161 27.315 23.698 29.925 1.00 19.52 C ATOM 1272 OD1 ASN L 161 26.539 23.041 29.242 1.00 22.32 O ATOM 1273 ND2 ASN L 161 28.266 23.141 30.662 1.00 24.65 N ATOM 1274 N SER L 162 25.589 27.682 28.723 1.00 23.28 N ATOM 1275 CA SER L 162 25.195 29.076 28.841 1.00 21.47 C ATOM 1276 C SER L 162 23.821 29.199 29.505 1.00 18.33 C ATOM 1277 O SER L 162 22.890 28.482 29.153 1.00 16.76 O ATOM 1278 CB SER L 162 25.175 29.711 27.451 1.00 19.49 C ATOM 1279 OG SER L 162 24.845 31.078 27.526 1.00 24.49 O ATOM 1280 N TRP L 163 23.716 30.107 30.472 1.00 18.88 N ATOM 1281 CA TRP L 163 22.477 30.357 31.212 1.00 18.92 C ATOM 1282 C TRP L 163 21.932 31.735 30.865 1.00 19.32 C ATOM 1283 O TRP L 163 22.683 32.658 30.562 1.00 18.36 O ATOM 1284 CB TRP L 163 22.725 30.364 32.728 1.00 21.13 C ATOM 1285 CG TRP L 163 22.890 29.043 33.404 1.00 22.37 C ATOM 1286 CD1 TRP L 163 21.973 28.408 34.198 1.00 21.25 C ATOM 1287 CD2 TRP L 163 24.063 28.223 33.412 1.00 20.84 C ATOM 1288 NE1 TRP L 163 22.507 27.245 34.704 1.00 22.48 N ATOM 1289 CE2 TRP L 163 23.788 27.106 34.236 1.00 24.58 C ATOM 1290 CE3 TRP L 163 25.321 28.323 32.804 1.00 23.86 C ATOM 1291 CZ2 TRP L 163 24.729 26.093 34.467 1.00 27.02 C ATOM 1292 CZ3 TRP L 163 26.259 27.315 33.034 1.00 25.29 C ATOM 1293 CH2 TRP L 163 25.955 26.216 33.859 1.00 25.90 C ATOM 1294 N THR L 164 20.619 31.876 30.930 1.00 19.58 N ATOM 1295 CA THR L 164 19.997 33.162 30.685 1.00 21.33 C ATOM 1296 C THR L 164 19.881 33.773 32.078 1.00 23.17 C ATOM 1297 O THR L 164 20.057 33.071 33.074 1.00 20.66 O ATOM 1298 CB THR L 164 18.583 33.001 30.134 1.00 21.89 C ATOM 1299 OG1 THR L 164 17.821 32.200 31.046 1.00 21.92 O ATOM 1300 CG2 THR L 164 18.603 32.334 28.764 1.00 25.31 C ATOM 1301 N ASP L 165 19.608 35.071 32.162 1.00 26.05 N ATOM 1302 CA ASP L 165 19.429 35.693 33.470 1.00 28.15 C ATOM 1303 C ASP L 165 18.043 35.264 33.926 1.00 25.38 C ATOM 1304 O ASP L 165 17.307 34.630 33.171 1.00 25.33 O ATOM 1305 CB ASP L 165 19.474 37.220 33.382 1.00 30.96 C ATOM 1306 CG ASP L 165 20.868 37.751 33.134 1.00 40.38 C ATOM 1307 OD1 ASP L 165 21.322 37.715 31.970 1.00 46.27 O ATOM 1308 OD2 ASP L 165 21.513 38.197 34.111 1.00 41.46 O ATOM 1309 N GLN L 166 17.678 35.608 35.152 1.00 24.81 N ATOM 1310 CA GLN L 166 16.366 35.240 35.651 1.00 23.45 C ATOM 1311 C GLN L 166 15.300 35.974 34.843 1.00 26.11 C ATOM 1312 O GLN L 166 15.411 37.175 34.600 1.00 24.29 O ATOM 1313 CB GLN L 166 16.256 35.590 37.134 1.00 21.44 C ATOM 1314 CG GLN L 166 14.952 35.156 37.779 1.00 20.14 C ATOM 1315 CD GLN L 166 15.023 35.187 39.287 1.00 21.34 C ATOM 1316 OE1 GLN L 166 15.549 36.134 39.875 1.00 20.59 O ATOM 1317 NE2 GLN L 166 14.486 34.152 39.928 1.00 20.10 N ATOM 1318 N ASP L 167 14.278 35.239 34.414 1.00 27.95 N ATOM 1319 CA ASP L 167 13.189 35.805 33.630 1.00 29.93 C ATOM 1320 C ASP L 167 12.241 36.590 34.534 1.00 32.32 C ATOM 1321 O ASP L 167 11.771 36.074 35.549 1.00 28.91 O ATOM 1322 CB ASP L 167 12.415 34.687 32.933 1.00 35.59 C ATOM 1323 CG ASP L 167 11.308 35.212 32.041 1.00 43.09 C ATOM 1324 OD1 ASP L 167 11.620 35.748 30.958 1.00 45.39 O ATOM 1325 OD2 ASP L 167 10.125 35.097 32.426 1.00 50.52 O ATOM 1326 N SER L 168 11.953 37.833 34.164 1.00 33.22 N ATOM 1327 CA SER L 168 11.064 38.669 34.966 1.00 35.23 C ATOM 1328 C SER L 168 9.595 38.248 34.888 1.00 34.61 C ATOM 1329 O SER L 168 8.789 38.656 35.717 1.00 37.19 O ATOM 1330 CB SER L 168 11.198 40.135 34.545 1.00 36.36 C ATOM 1331 OG SER L 168 10.906 40.293 33.168 1.00 37.66 O ATOM 1332 N LYS L 169 9.241 37.429 33.904 1.00 34.88 N ATOM 1333 CA LYS L 169 7.854 36.995 33.777 1.00 36.42 C ATOM 1334 C LYS L 169 7.483 35.780 34.632 1.00 32.69 C ATOM 1335 O LYS L 169 6.346 35.664 35.076 1.00 30.70 O ATOM 1336 CB LYS L 169 7.509 36.715 32.307 1.00 42.22 C ATOM 1337 CG LYS L 169 7.267 37.970 31.479 1.00 48.53 C ATOM 1338 CD LYS L 169 6.745 37.629 30.088 1.00 55.82 C ATOM 1339 CE LYS L 169 6.497 38.890 29.263 1.00 58.26 C ATOM 1340 NZ LYS L 169 5.917 38.585 27.921 1.00 58.72 N ATOM 1341 N ASP L 170 8.424 34.866 34.850 1.00 28.93 N ATOM 1342 CA ASP L 170 8.131 33.691 35.661 1.00 22.71 C ATOM 1343 C ASP L 170 9.216 33.394 36.685 1.00 22.10 C ATOM 1344 O ASP L 170 9.116 32.426 37.438 1.00 21.97 O ATOM 1345 CB ASP L 170 7.913 32.461 34.779 1.00 24.60 C ATOM 1346 CG ASP L 170 9.112 32.135 33.912 1.00 26.56 C ATOM 1347 OD1 ASP L 170 10.228 32.626 34.190 1.00 29.66 O ATOM 1348 OD2 ASP L 170 8.935 31.366 32.949 1.00 30.73 O ATOM 1349 N SER L 171 10.253 34.225 36.705 1.00 20.46 N ATOM 1350 CA SER L 171 11.363 34.071 37.643 1.00 20.51 C ATOM 1351 C SER L 171 12.152 32.766 37.507 1.00 17.25 C ATOM 1352 O SER L 171 12.776 32.310 38.463 1.00 19.71 O ATOM 1353 CB SER L 171 10.847 34.214 39.080 1.00 20.21 C ATOM 1354 OG SER L 171 10.214 35.471 39.262 1.00 22.92 O ATOM 1355 N THR L 172 12.139 32.167 36.326 1.00 17.43 N ATOM 1356 CA THR L 172 12.885 30.927 36.125 1.00 18.12 C ATOM 1357 C THR L 172 14.147 31.193 35.312 1.00 18.93 C ATOM 1358 O THR L 172 14.377 32.307 34.847 1.00 18.61 O ATOM 1359 CB THR L 172 12.051 29.870 35.371 1.00 17.96 C ATOM 1360 OG1 THR L 172 11.819 30.308 34.026 1.00 19.22 O ATOM 1361 CG2 THR L 172 10.712 29.647 36.072 1.00 15.25 C ATOM 1362 N TYR L 173 14.972 30.164 35.164 1.00 17.92 N ATOM 1363 CA TYR L 173 16.189 30.267 34.379 1.00 15.72 C ATOM 1364 C TYR L 173 16.086 29.229 33.278 1.00 16.14 C ATOM 1365 O TYR L 173 15.250 28.332 33.343 1.00 14.22 O ATOM 1366 CB TYR L 173 17.438 29.963 35.222 1.00 17.15 C ATOM 1367 CG TYR L 173 17.705 30.932 36.352 1.00 16.57 C ATOM 1368 CD1 TYR L 173 17.063 30.797 37.584 1.00 18.39 C ATOM 1369 CD2 TYR L 173 18.598 31.986 36.189 1.00 18.69 C ATOM 1370 CE1 TYR L 173 17.307 31.687 38.626 1.00 18.47 C ATOM 1371 CE2 TYR L 173 18.849 32.887 37.227 1.00 18.35 C ATOM 1372 CZ TYR L 173 18.200 32.728 38.439 1.00 20.09 C ATOM 1373 OH TYR L 173 18.449 33.607 39.465 1.00 19.70 O ATOM 1374 N SER L 174 16.930 29.364 32.261 1.00 16.15 N ATOM 1375 CA SER L 174 16.973 28.406 31.165 1.00 14.61 C ATOM 1376 C SER L 174 18.430 28.203 30.831 1.00 15.98 C ATOM 1377 O SER L 174 19.256 29.079 31.069 1.00 13.49 O ATOM 1378 CB SER L 174 16.204 28.914 29.954 1.00 16.40 C ATOM 1379 OG SER L 174 14.814 28.860 30.213 1.00 18.71 O ATOM 1380 N MET L 175 18.754 27.041 30.286 1.00 19.92 N ATOM 1381 CA MET L 175 20.141 26.748 29.985 1.00 17.78 C ATOM 1382 C MET L 175 20.316 26.049 28.653 1.00 16.18 C ATOM 1383 O MET L 175 19.476 25.256 28.236 1.00 17.47 O ATOM 1384 CB MET L 175 20.719 25.865 31.089 1.00 22.48 C ATOM 1385 CG MET L 175 22.223 25.687 31.026 1.00 26.43 C ATOM 1386 SD MET L 175 22.737 24.181 31.849 1.00 29.78 S ATOM 1387 CE MET L 175 23.934 23.594 30.695 1.00 30.86 C ATOM 1388 N SER L 176 21.421 26.352 27.989 1.00 11.84 N ATOM 1389 CA SER L 176 21.737 25.737 26.719 1.00 15.67 C ATOM 1390 C SER L 176 23.074 25.012 26.858 1.00 16.12 C ATOM 1391 O SER L 176 24.038 25.558 27.403 1.00 13.99 O ATOM 1392 CB SER L 176 21.837 26.802 25.627 1.00 16.14 C ATOM 1393 OG SER L 176 22.191 26.213 24.391 1.00 18.80 O ATOM 1394 N SER L 177 23.127 23.779 26.368 1.00 16.05 N ATOM 1395 CA SER L 177 24.346 22.990 26.424 1.00 14.43 C ATOM 1396 C SER L 177 24.617 22.432 25.035 1.00 18.55 C ATOM 1397 O SER L 177 23.792 21.708 24.463 1.00 19.28 O ATOM 1398 CB SER L 177 24.205 21.853 27.441 1.00 15.92 C ATOM 1399 OG SER L 177 25.417 21.108 27.553 1.00 15.12 O ATOM 1400 N THR L 178 25.778 22.778 24.490 1.00 18.43 N ATOM 1401 CA THR L 178 26.160 22.338 23.158 1.00 16.88 C ATOM 1402 C THR L 178 27.406 21.457 23.164 1.00 20.48 C ATOM 1403 O THR L 178 28.439 21.830 23.726 1.00 22.05 O ATOM 1404 CB THR L 178 26.424 23.561 22.235 1.00 17.16 C ATOM 1405 OG1 THR L 178 25.228 24.343 22.120 1.00 19.94 O ATOM 1406 CG2 THR L 178 26.847 23.110 20.845 1.00 20.41 C ATOM 1407 N LEU L 179 27.304 20.284 22.543 1.00 22.32 N ATOM 1408 CA LEU L 179 28.441 19.368 22.435 1.00 21.07 C ATOM 1409 C LEU L 179 28.886 19.410 20.977 1.00 21.29 C ATOM 1410 O LEU L 179 28.128 19.037 20.087 1.00 20.43 O ATOM 1411 CB LEU L 179 28.035 17.941 22.820 1.00 21.66 C ATOM 1412 CG LEU L 179 29.071 16.836 22.573 1.00 22.35 C ATOM 1413 CD1 LEU L 179 30.355 17.151 23.315 1.00 20.94 C ATOM 1414 CD2 LEU L 179 28.510 15.496 23.026 1.00 22.39 C ATOM 1415 N THR L 180 30.108 19.878 20.733 1.00 24.12 N ATOM 1416 CA THR L 180 30.625 19.975 19.367 1.00 25.84 C ATOM 1417 C THR L 180 31.720 18.954 19.060 1.00 26.44 C ATOM 1418 O THR L 180 32.719 18.850 19.772 1.00 21.40 O ATOM 1419 CB THR L 180 31.182 21.391 19.077 1.00 29.86 C ATOM 1420 OG1 THR L 180 30.137 22.359 19.233 1.00 33.73 O ATOM 1421 CG2 THR L 180 31.722 21.474 17.650 1.00 31.34 C ATOM 1422 N LEU L 181 31.526 18.206 17.981 1.00 27.84 N ATOM 1423 CA LEU L 181 32.485 17.189 17.569 1.00 27.88 C ATOM 1424 C LEU L 181 32.774 17.358 16.086 1.00 25.63 C ATOM 1425 O LEU L 181 32.114 18.138 15.405 1.00 23.18 O ATOM 1426 CB LEU L 181 31.898 15.798 17.804 1.00 30.84 C ATOM 1427 CG LEU L 181 31.423 15.447 19.215 1.00 33.62 C ATOM 1428 CD1 LEU L 181 30.498 14.239 19.157 1.00 35.84 C ATOM 1429 CD2 LEU L 181 32.623 15.176 20.109 1.00 31.77 C ATOM 1430 N THR L 182 33.772 16.636 15.591 1.00 28.50 N ATOM 1431 CA THR L 182 34.094 16.683 14.171 1.00 28.26 C ATOM 1432 C THR L 182 33.109 15.709 13.548 1.00 29.68 C ATOM 1433 O THR L 182 32.591 14.832 14.234 1.00 30.89 O ATOM 1434 CB THR L 182 35.519 16.172 13.882 1.00 26.83 C ATOM 1435 OG1 THR L 182 35.636 14.813 14.324 1.00 24.66 O ATOM 1436 CG2 THR L 182 36.554 17.031 14.605 1.00 28.72 C ATOM 1437 N LYS L 183 32.843 15.861 12.257 1.00 33.77 N ATOM 1438 CA LYS L 183 31.922 14.969 11.570 1.00 33.68 C ATOM 1439 C LYS L 183 32.386 13.518 11.716 1.00 34.33 C ATOM 1440 O LYS L 183 31.574 12.614 11.913 1.00 29.48 O ATOM 1441 CB LYS L 183 31.850 15.341 10.086 1.00 33.64 C ATOM 1442 CG LYS L 183 30.985 14.421 9.236 1.00 35.35 C ATOM 1443 CD LYS L 183 31.194 14.708 7.745 1.00 39.24 C ATOM 1444 CE LYS L 183 30.464 13.710 6.861 1.00 37.84 C ATOM 1445 NZ LYS L 183 28.987 13.803 7.024 1.00 41.73 N ATOM 1446 N ASP L 184 33.698 13.307 11.631 1.00 34.54 N ATOM 1447 CA ASP L 184 34.265 11.964 11.725 1.00 35.73 C ATOM 1448 C ASP L 184 34.051 11.269 13.065 1.00 33.93 C ATOM 1449 O ASP L 184 33.826 10.058 13.111 1.00 30.41 O ATOM 1450 CB ASP L 184 35.762 11.997 11.404 1.00 42.36 C ATOM 1451 CG ASP L 184 36.047 12.503 10.001 1.00 49.31 C ATOM 1452 OD1 ASP L 184 35.332 12.095 9.056 1.00 52.20 O ATOM 1453 OD2 ASP L 184 36.993 13.302 9.839 1.00 53.88 O ATOM 1454 N GLU L 185 34.123 12.022 14.158 1.00 30.53 N ATOM 1455 CA GLU L 185 33.930 11.417 15.468 1.00 29.57 C ATOM 1456 C GLU L 185 32.449 11.185 15.732 1.00 24.71 C ATOM 1457 O GLU L 185 32.072 10.204 16.371 1.00 21.51 O ATOM 1458 CB GLU L 185 34.506 12.298 16.573 1.00 32.91 C ATOM 1459 CG GLU L 185 35.067 11.487 17.729 1.00 40.76 C ATOM 1460 CD GLU L 185 35.143 12.267 19.022 1.00 44.06 C ATOM 1461 OE1 GLU L 185 35.644 13.413 19.006 1.00 45.45 O ATOM 1462 OE2 GLU L 185 34.706 11.724 20.059 1.00 47.65 O ATOM 1463 N TYR L 186 31.616 12.096 15.239 1.00 22.95 N ATOM 1464 CA TYR L 186 30.171 11.994 15.415 1.00 22.27 C ATOM 1465 C TYR L 186 29.658 10.714 14.775 1.00 23.92 C ATOM 1466 O TYR L 186 28.760 10.061 15.307 1.00 22.37 O ATOM 1467 CB TYR L 186 29.464 13.190 14.768 1.00 22.25 C ATOM 1468 CG TYR L 186 27.952 13.087 14.793 1.00 22.07 C ATOM 1469 CD1 TYR L 186 27.249 13.160 15.994 1.00 22.70 C ATOM 1470 CD2 TYR L 186 27.228 12.885 13.621 1.00 19.16 C ATOM 1471 CE1 TYR L 186 25.859 13.029 16.029 1.00 21.19 C ATOM 1472 CE2 TYR L 186 25.841 12.752 13.646 1.00 22.00 C ATOM 1473 CZ TYR L 186 25.164 12.823 14.856 1.00 21.40 C ATOM 1474 OH TYR L 186 23.796 12.670 14.893 1.00 25.39 O ATOM 1475 N GLU L 187 30.242 10.358 13.633 1.00 25.44 N ATOM 1476 CA GLU L 187 29.831 9.167 12.900 1.00 28.75 C ATOM 1477 C GLU L 187 30.410 7.844 13.399 1.00 30.29 C ATOM 1478 O GLU L 187 30.021 6.778 12.925 1.00 34.87 O ATOM 1479 CB GLU L 187 30.142 9.354 11.418 1.00 29.14 C ATOM 1480 CG GLU L 187 29.548 10.636 10.872 1.00 32.84 C ATOM 1481 CD GLU L 187 29.581 10.714 9.365 1.00 36.60 C ATOM 1482 OE1 GLU L 187 30.653 10.469 8.773 1.00 36.69 O ATOM 1483 OE2 GLU L 187 28.528 11.035 8.775 1.00 42.02 O ATOM 1484 N ARG L 188 31.329 7.899 14.355 1.00 29.68 N ATOM 1485 CA ARG L 188 31.905 6.672 14.896 1.00 32.85 C ATOM 1486 C ARG L 188 31.160 6.234 16.156 1.00 30.86 C ATOM 1487 O ARG L 188 31.572 5.290 16.823 1.00 30.27 O ATOM 1488 CB ARG L 188 33.389 6.867 15.219 1.00 37.96 C ATOM 1489 CG ARG L 188 34.271 7.045 13.991 1.00 48.78 C ATOM 1490 CD ARG L 188 35.711 7.335 14.384 1.00 55.97 C ATOM 1491 NE ARG L 188 36.589 7.485 13.224 1.00 63.85 N ATOM 1492 CZ ARG L 188 36.897 6.503 12.381 1.00 67.24 C ATOM 1493 NH1 ARG L 188 37.706 6.738 11.355 1.00 68.10 N ATOM 1494 NH2 ARG L 188 36.401 5.285 12.562 1.00 68.59 N ATOM 1495 N HIS L 189 30.061 6.915 16.475 1.00 24.75 N ATOM 1496 CA HIS L 189 29.281 6.581 17.663 1.00 23.71 C ATOM 1497 C HIS L 189 27.803 6.520 17.339 1.00 24.64 C ATOM 1498 O HIS L 189 27.363 7.061 16.326 1.00 26.79 O ATOM 1499 CB HIS L 189 29.538 7.607 18.767 1.00 22.68 C ATOM 1500 CG HIS L 189 30.962 7.646 19.223 1.00 25.34 C ATOM 1501 ND1 HIS L 189 31.550 6.605 19.907 1.00 26.15 N ATOM 1502 CD2 HIS L 189 31.933 8.572 19.039 1.00 24.67 C ATOM 1503 CE1 HIS L 189 32.823 6.886 20.122 1.00 26.25 C ATOM 1504 NE2 HIS L 189 33.081 8.074 19.605 1.00 23.41 N ATOM 1505 N ASN L 190 27.031 5.875 18.206 1.00 25.08 N ATOM 1506 CA ASN L 190 25.605 5.729 17.957 1.00 25.31 C ATOM 1507 C ASN L 190 24.671 6.507 18.874 1.00 25.45 C ATOM 1508 O ASN L 190 23.769 7.196 18.396 1.00 24.83 O ATOM 1509 CB ASN L 190 25.218 4.250 18.007 1.00 29.15 C ATOM 1510 CG ASN L 190 23.781 4.007 17.570 1.00 31.49 C ATOM 1511 OD1 ASN L 190 23.098 3.135 18.105 1.00 30.98 O ATOM 1512 ND2 ASN L 190 23.322 4.773 16.586 1.00 34.25 N ATOM 1513 N SER L 191 24.860 6.400 20.186 1.00 23.83 N ATOM 1514 CA SER L 191 23.956 7.102 21.092 1.00 24.93 C ATOM 1515 C SER L 191 24.524 8.367 21.714 1.00 22.62 C ATOM 1516 O SER L 191 25.665 8.398 22.176 1.00 26.10 O ATOM 1517 CB SER L 191 23.475 6.162 22.200 1.00 25.58 C ATOM 1518 OG SER L 191 24.547 5.771 23.039 1.00 35.76 O ATOM 1519 N TYR L 192 23.704 9.413 21.711 1.00 20.96 N ATOM 1520 CA TYR L 192 24.066 10.703 22.275 1.00 18.77 C ATOM 1521 C TYR L 192 23.035 11.033 23.342 1.00 20.42 C ATOM 1522 O TYR L 192 21.830 11.045 23.080 1.00 20.12 O ATOM 1523 CB TYR L 192 24.098 11.767 21.179 1.00 15.79 C ATOM 1524 CG TYR L 192 25.237 11.537 20.217 1.00 19.38 C ATOM 1525 CD1 TYR L 192 25.144 10.574 19.209 1.00 18.58 C ATOM 1526 CD2 TYR L 192 26.448 12.213 20.374 1.00 13.17 C ATOM 1527 CE1 TYR L 192 26.232 10.286 18.387 1.00 17.30 C ATOM 1528 CE2 TYR L 192 27.537 11.932 19.561 1.00 19.20 C ATOM 1529 CZ TYR L 192 27.424 10.968 18.573 1.00 19.28 C ATOM 1530 OH TYR L 192 28.510 10.683 17.786 1.00 22.20 O ATOM 1531 N THR L 193 23.518 11.298 24.551 1.00 18.07 N ATOM 1532 CA THR L 193 22.634 11.555 25.674 1.00 17.57 C ATOM 1533 C THR L 193 22.939 12.822 26.451 1.00 16.70 C ATOM 1534 O THR L 193 24.093 13.128 26.741 1.00 17.17 O ATOM 1535 CB THR L 193 22.677 10.352 26.658 1.00 16.02 C ATOM 1536 OG1 THR L 193 22.248 9.167 25.976 1.00 19.60 O ATOM 1537 CG2 THR L 193 21.785 10.596 27.868 1.00 13.67 C ATOM 1538 N CYS L 194 21.877 13.547 26.785 1.00 16.69 N ATOM 1539 CA CYS L 194 21.958 14.772 27.572 1.00 17.33 C ATOM 1540 C CYS L 194 21.332 14.378 28.908 1.00 17.62 C ATOM 1541 O CYS L 194 20.185 13.931 28.948 1.00 16.52 O ATOM 1542 CB CYS L 194 21.129 15.873 26.912 1.00 18.04 C ATOM 1543 SG CYS L 194 21.102 17.428 27.842 1.00 32.91 S ATOM 1544 N GLU L 195 22.075 14.533 29.996 1.00 17.34 N ATOM 1545 CA GLU L 195 21.574 14.135 31.305 1.00 19.88 C ATOM 1546 C GLU L 195 21.563 15.298 32.289 1.00 20.22 C ATOM 1547 O GLU L 195 22.594 15.913 32.557 1.00 21.05 O ATOM 1548 CB GLU L 195 22.439 12.995 31.835 1.00 24.97 C ATOM 1549 CG GLU L 195 21.892 12.284 33.045 1.00 32.91 C ATOM 1550 CD GLU L 195 22.702 11.049 33.384 1.00 36.32 C ATOM 1551 OE1 GLU L 195 22.763 10.126 32.540 1.00 38.85 O ATOM 1552 OE2 GLU L 195 23.279 11.007 34.489 1.00 41.20 O ATOM 1553 N ALA L 196 20.390 15.595 32.834 1.00 16.39 N ATOM 1554 CA ALA L 196 20.265 16.705 33.769 1.00 21.33 C ATOM 1555 C ALA L 196 19.974 16.301 35.218 1.00 20.72 C ATOM 1556 O ALA L 196 19.032 15.556 35.493 1.00 17.53 O ATOM 1557 CB ALA L 196 19.190 17.663 33.276 1.00 18.50 C ATOM 1558 N THR L 197 20.797 16.796 36.137 1.00 18.09 N ATOM 1559 CA THR L 197 20.607 16.531 37.560 1.00 19.90 C ATOM 1560 C THR L 197 20.132 17.850 38.164 1.00 18.30 C ATOM 1561 O THR L 197 20.802 18.875 38.046 1.00 17.35 O ATOM 1562 CB THR L 197 21.920 16.078 38.243 1.00 24.04 C ATOM 1563 OG1 THR L 197 22.265 14.757 37.797 1.00 29.31 O ATOM 1564 CG2 THR L 197 21.756 16.054 39.749 1.00 28.68 C ATOM 1565 N HIS L 198 18.959 17.827 38.783 1.00 15.62 N ATOM 1566 CA HIS L 198 18.382 19.027 39.371 1.00 15.66 C ATOM 1567 C HIS L 198 17.677 18.621 40.660 1.00 17.04 C ATOM 1568 O HIS L 198 17.298 17.461 40.826 1.00 16.66 O ATOM 1569 CB HIS L 198 17.394 19.649 38.375 1.00 13.31 C ATOM 1570 CG HIS L 198 16.976 21.043 38.719 1.00 17.08 C ATOM 1571 ND1 HIS L 198 15.722 21.346 39.205 1.00 17.72 N ATOM 1572 CD2 HIS L 198 17.652 22.214 38.666 1.00 14.19 C ATOM 1573 CE1 HIS L 198 15.644 22.643 39.439 1.00 14.45 C ATOM 1574 NE2 HIS L 198 16.802 23.193 39.122 1.00 16.89 N ATOM 1575 N LYS L 199 17.491 19.561 41.576 1.00 16.74 N ATOM 1576 CA LYS L 199 16.861 19.197 42.826 1.00 19.00 C ATOM 1577 C LYS L 199 15.398 18.791 42.708 1.00 20.97 C ATOM 1578 O LYS L 199 14.867 18.167 43.621 1.00 21.85 O ATOM 1579 CB LYS L 199 17.002 20.319 43.853 1.00 20.45 C ATOM 1580 CG LYS L 199 16.153 21.535 43.602 1.00 22.66 C ATOM 1581 CD LYS L 199 16.051 22.362 44.874 1.00 26.15 C ATOM 1582 CE LYS L 199 15.501 21.515 46.007 1.00 21.03 C ATOM 1583 NZ LYS L 199 15.022 22.333 47.137 1.00 21.64 N ATOM 1584 N THR L 200 14.751 19.123 41.592 1.00 18.72 N ATOM 1585 CA THR L 200 13.342 18.777 41.416 1.00 19.72 C ATOM 1586 C THR L 200 13.071 17.315 41.081 1.00 20.83 C ATOM 1587 O THR L 200 11.921 16.888 41.076 1.00 26.38 O ATOM 1588 CB THR L 200 12.670 19.644 40.338 1.00 19.77 C ATOM 1589 OG1 THR L 200 13.454 19.614 39.137 1.00 17.69 O ATOM 1590 CG2 THR L 200 12.511 21.080 40.835 1.00 14.54 C ATOM 1591 N SER L 201 14.112 16.545 40.790 1.00 21.32 N ATOM 1592 CA SER L 201 13.909 15.131 40.495 1.00 24.17 C ATOM 1593 C SER L 201 14.963 14.256 41.181 1.00 25.64 C ATOM 1594 O SER L 201 16.163 14.545 41.127 1.00 23.14 O ATOM 1595 CB SER L 201 13.915 14.885 38.981 1.00 22.05 C ATOM 1596 OG SER L 201 15.181 15.156 38.415 1.00 29.12 O ATOM 1597 N THR L 202 14.501 13.195 41.837 1.00 27.73 N ATOM 1598 CA THR L 202 15.385 12.268 42.535 1.00 28.56 C ATOM 1599 C THR L 202 16.347 11.603 41.565 1.00 28.92 C ATOM 1600 O THR L 202 17.514 11.380 41.889 1.00 31.68 O ATOM 1601 CB THR L 202 14.585 11.176 43.258 1.00 31.31 C ATOM 1602 OG1 THR L 202 13.688 11.784 44.194 1.00 36.27 O ATOM 1603 CG2 THR L 202 15.519 10.250 44.009 1.00 32.66 C ATOM 1604 N SER L 203 15.851 11.269 40.378 1.00 27.56 N ATOM 1605 CA SER L 203 16.684 10.655 39.348 1.00 23.75 C ATOM 1606 C SER L 203 16.920 11.692 38.265 1.00 22.24 C ATOM 1607 O SER L 203 16.073 12.552 38.029 1.00 21.15 O ATOM 1608 CB SER L 203 15.993 9.437 38.733 1.00 20.42 C ATOM 1609 OG SER L 203 15.937 8.370 39.656 1.00 28.52 O ATOM 1610 N PRO L 204 18.077 11.630 37.596 1.00 23.24 N ATOM 1611 CA PRO L 204 18.362 12.602 36.540 1.00 25.65 C ATOM 1612 C PRO L 204 17.386 12.483 35.379 1.00 24.82 C ATOM 1613 O PRO L 204 16.856 11.408 35.109 1.00 25.58 O ATOM 1614 CB PRO L 204 19.797 12.264 36.137 1.00 28.16 C ATOM 1615 CG PRO L 204 19.893 10.799 36.416 1.00 27.58 C ATOM 1616 CD PRO L 204 19.185 10.669 37.743 1.00 22.91 C ATOM 1617 N ILE L 205 17.136 13.604 34.713 1.00 27.99 N ATOM 1618 CA ILE L 205 16.240 13.630 33.569 1.00 25.93 C ATOM 1619 C ILE L 205 17.106 13.347 32.350 1.00 26.15 C ATOM 1620 O ILE L 205 18.137 13.989 32.147 1.00 25.01 O ATOM 1621 CB ILE L 205 15.550 14.992 33.454 1.00 30.56 C ATOM 1622 CG1 ILE L 205 14.696 15.224 34.706 1.00 33.11 C ATOM 1623 CG2 ILE L 205 14.687 15.040 32.204 1.00 33.39 C ATOM 1624 CD1 ILE L 205 13.959 16.544 34.726 1.00 40.58 C ATOM 1625 N VAL L 206 16.689 12.370 31.552 1.00 25.61 N ATOM 1626 CA VAL L 206 17.454 11.954 30.385 1.00 22.56 C ATOM 1627 C VAL L 206 16.748 12.084 29.041 1.00 23.74 C ATOM 1628 O VAL L 206 15.587 11.714 28.891 1.00 26.04 O ATOM 1629 CB VAL L 206 17.900 10.481 30.543 1.00 24.03 C ATOM 1630 CG1 VAL L 206 18.702 10.044 29.337 1.00 24.31 C ATOM 1631 CG2 VAL L 206 18.715 10.322 31.818 1.00 22.72 C ATOM 1632 N LYS L 207 17.474 12.617 28.068 1.00 21.44 N ATOM 1633 CA LYS L 207 16.981 12.773 26.710 1.00 22.91 C ATOM 1634 C LYS L 207 18.111 12.278 25.818 1.00 22.91 C ATOM 1635 O LYS L 207 19.274 12.608 26.052 1.00 20.68 O ATOM 1636 CB LYS L 207 16.681 14.242 26.398 1.00 22.57 C ATOM 1637 CG LYS L 207 15.471 14.799 27.114 1.00 29.92 C ATOM 1638 CD LYS L 207 14.198 14.129 26.638 1.00 29.61 C ATOM 1639 CE LYS L 207 12.995 14.643 27.405 1.00 36.42 C ATOM 1640 NZ LYS L 207 11.732 14.037 26.905 1.00 38.91 N ATOM 1641 N SER L 208 17.782 11.471 24.814 1.00 22.93 N ATOM 1642 CA SER L 208 18.807 10.961 23.911 1.00 23.69 C ATOM 1643 C SER L 208 18.253 10.587 22.549 1.00 22.47 C ATOM 1644 O SER L 208 17.046 10.627 22.318 1.00 19.97 O ATOM 1645 CB SER L 208 19.496 9.743 24.525 1.00 30.36 C ATOM 1646 OG SER L 208 18.568 8.698 24.742 1.00 31.97 O ATOM 1647 N PHE L 209 19.159 10.254 21.640 1.00 21.36 N ATOM 1648 CA PHE L 209 18.792 9.834 20.298 1.00 22.67 C ATOM 1649 C PHE L 209 19.927 8.951 19.791 1.00 26.96 C ATOM 1650 O PHE L 209 21.065 9.070 20.250 1.00 22.94 O ATOM 1651 CB PHE L 209 18.579 11.052 19.382 1.00 24.63 C ATOM 1652 CG PHE L 209 19.848 11.755 18.980 1.00 23.08 C ATOM 1653 CD1 PHE L 209 20.615 11.283 17.920 1.00 22.08 C ATOM 1654 CD2 PHE L 209 20.272 12.893 19.659 1.00 22.40 C ATOM 1655 CE1 PHE L 209 21.792 11.936 17.539 1.00 26.03 C ATOM 1656 CE2 PHE L 209 21.445 13.555 19.290 1.00 21.71 C ATOM 1657 CZ PHE L 209 22.208 13.075 18.226 1.00 20.59 C ATOM 1658 N ASN L 210 19.609 8.047 18.872 1.00 29.68 N ATOM 1659 CA ASN L 210 20.608 7.151 18.309 1.00 35.91 C ATOM 1660 C ASN L 210 20.653 7.359 16.807 1.00 38.80 C ATOM 1661 O ASN L 210 19.617 7.567 16.181 1.00 35.50 O ATOM 1662 CB ASN L 210 20.248 5.687 18.590 1.00 39.78 C ATOM 1663 CG ASN L 210 20.019 5.411 20.059 1.00 42.87 C ATOM 1664 OD1 ASN L 210 20.840 5.757 20.907 1.00 45.62 O ATOM 1665 ND2 ASN L 210 18.899 4.773 20.368 1.00 47.45 N ATOM 1666 N ARG L 211 21.848 7.304 16.228 1.00 43.49 N ATOM 1667 CA ARG L 211 21.977 7.467 14.788 1.00 50.94 C ATOM 1668 C ARG L 211 21.502 6.201 14.079 1.00 56.96 C ATOM 1669 O ARG L 211 22.277 5.518 13.411 1.00 61.08 O ATOM 1670 CB ARG L 211 23.425 7.767 14.402 1.00 48.48 C ATOM 1671 CG ARG L 211 23.938 9.090 14.929 1.00 44.50 C ATOM 1672 CD ARG L 211 25.201 9.523 14.203 1.00 43.64 C ATOM 1673 NE ARG L 211 26.213 8.475 14.194 1.00 42.96 N ATOM 1674 CZ ARG L 211 26.457 7.677 13.159 1.00 42.42 C ATOM 1675 NH1 ARG L 211 25.767 7.807 12.034 1.00 43.30 N ATOM 1676 NH2 ARG L 211 27.384 6.737 13.259 1.00 40.19 N ATOM 1677 N ASN L 212 20.223 5.891 14.251 1.00 63.62 N ATOM 1678 CA ASN L 212 19.602 4.727 13.634 1.00 70.84 C ATOM 1679 C ASN L 212 18.165 5.117 13.322 1.00 76.13 C ATOM 1680 O ASN L 212 17.640 4.819 12.247 1.00 78.13 O ATOM 1681 CB ASN L 212 19.618 3.532 14.588 1.00 71.04 C ATOM 1682 CG ASN L 212 21.016 3.163 15.037 1.00 72.56 C ATOM 1683 OD1 ASN L 212 21.929 3.017 14.221 1.00 70.76 O ATOM 1684 ND2 ASN L 212 21.191 3.000 16.343 1.00 73.07 N ATOM 1685 N GLU L 213 17.536 5.789 14.281 1.00 80.14 N ATOM 1686 CA GLU L 213 16.169 6.260 14.129 1.00 84.85 C ATOM 1687 C GLU L 213 16.268 7.740 13.769 1.00 86.71 C ATOM 1688 O GLU L 213 15.296 8.490 13.869 1.00 86.91 O ATOM 1689 CB GLU L 213 15.400 6.079 15.441 1.00 87.98 C ATOM 1690 CG GLU L 213 13.921 6.441 15.363 1.00 92.53 C ATOM 1691 CD GLU L 213 13.192 6.213 16.677 1.00 94.81 C ATOM 1692 OE1 GLU L 213 13.609 6.796 17.701 1.00 95.41 O ATOM 1693 OE2 GLU L 213 12.202 5.450 16.685 1.00 95.58 O ATOM 1694 N CYS L 214 17.466 8.139 13.348 1.00 89.38 N ATOM 1695 CA CYS L 214 17.764 9.516 12.962 1.00 92.10 C ATOM 1696 C CYS L 214 17.863 10.433 14.177 1.00 92.54 C ATOM 1697 O CYS L 214 18.962 10.983 14.406 1.00 91.81 O ATOM 1698 CB CYS L 214 16.697 10.046 12.000 1.00 94.22 C ATOM 1699 SG CYS L 214 16.569 9.119 10.436 1.00 97.85 S ATOM 1700 OXT CYS L 214 16.846 10.588 14.885 1.00 93.46 O TER END """ 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 exercise(): """ Exercise determination of optimal weights for real-space refinement of individual coordinates. """ for d_min in [1,2,6]: print(d_min, "-"*69) pi = get_pdb_inputs(pdb_str=pdb_str_1) f_calc = pi.xrs.structure_factors(d_min = d_min).f_calc() fft_map = f_calc.fft_map(resolution_factor=0.25) fft_map.apply_sigma_scaling() map_data = fft_map.real_map_unpadded() w = weight.run( map_data = map_data, xray_structure = pi.xrs, pdb_hierarchy = pi.ph, geometry_restraints_manager = pi.grm).weight ro = individual_sites.simple( target_map = map_data, selection = flex.bool(pi.xrs.scatterers().size(), True), geometry_restraints_manager = pi.grm.geometry) ro.refine(weight=w, xray_structure = pi.xrs) print(ro.rmsds()) if(__name__ == "__main__"): timer = user_plus_sys_time() exercise() print("Time: %6.2f" % timer.elapsed())