ó Ï™xTc @ s[ddlmZddlZddlZddlmZddlZddlm Z ddl Zddl Zddl m Z dZdZdZd Zd d „Zed krWejƒZeefeefgZd ZxheeƒD]Z\ZZdGeGddGHeded deddddeeƒdeƒed7ZqãWdejƒeGHndS(iÿÿÿÿ(tdivisionN(tflex(tmonomer_library(t group_argss$r CRYST1 41.392 28.519 38.664 90.00 90.00 90.00 P 1 ATOM 1 N THR A 2 27.280 18.467 23.988 1.00 25.52 N ATOM 2 CA THR A 2 25.825 18.329 24.034 1.00 24.98 C ATOM 3 C THR A 2 25.162 19.532 23.362 1.00 25.01 C ATOM 4 O THR A 2 25.590 20.671 23.562 1.00 26.12 O ATOM 5 CB THR A 2 25.319 18.211 25.487 1.00 24.01 C ATOM 6 OG1 THR A 2 25.884 17.044 26.101 1.00 22.28 O ATOM 7 CG2 THR A 2 23.790 18.123 25.520 1.00 24.55 C ATOM 8 N ILE A 3 24.114 19.277 22.580 1.00 23.49 N ATOM 9 CA ILE A 3 23.513 20.315 21.737 1.00 22.04 C ATOM 10 C ILE A 3 21.987 20.292 21.685 1.00 19.94 C ATOM 11 O ILE A 3 21.355 19.303 22.052 1.00 19.14 O ATOM 12 CB ILE A 3 24.019 20.209 20.292 1.00 23.36 C ATOM 13 CG1 ILE A 3 23.607 18.872 19.674 1.00 23.11 C ATOM 14 CG2 ILE A 3 25.533 20.377 20.248 1.00 24.03 C ATOM 15 CD1 ILE A 3 23.778 18.818 18.178 1.00 23.70 C ATOM 16 N GLN A 4 21.410 21.397 21.215 1.00 19.34 N ATOM 17 CA GLN A 4 19.973 21.492 20.988 1.00 19.59 C ATOM 18 C GLN A 4 19.616 20.884 19.636 1.00 16.28 C ATOM 19 O GLN A 4 20.492 20.676 18.795 1.00 16.31 O ATOM 20 CB GLN A 4 19.522 22.952 21.035 1.00 23.23 C ATOM 21 CG GLN A 4 19.394 23.519 22.442 1.00 27.23 C ATOM 22 CD GLN A 4 18.253 22.883 23.205 1.00 30.62 C ATOM 23 OE1 GLN A 4 18.466 22.058 24.090 1.00 32.12 O ATOM 24 NE2 GLN A 4 17.026 23.261 22.858 1.00 32.28 N ATOM 25 N PRO A 5 18.329 20.582 19.422 1.00 14.64 N ATOM 26 CA PRO A 5 17.943 19.990 18.136 1.00 12.90 C ATOM 27 C PRO A 5 18.362 20.849 16.954 1.00 11.81 C ATOM 28 O PRO A 5 18.266 22.074 16.971 1.00 13.24 O ATOM 29 CB PRO A 5 16.420 19.907 18.238 1.00 13.99 C ATOM 30 CG PRO A 5 16.166 19.736 19.702 1.00 15.36 C ATOM 31 CD PRO A 5 17.218 20.572 20.391 1.00 15.61 C ATOM 32 N GLY A 6 18.849 20.171 15.929 1.00 10.60 N ATOM 33 CA GLY A 6 19.285 20.807 14.707 1.00 10.46 C ATOM 34 C GLY A 6 20.101 19.824 13.900 1.00 9.44 C ATOM 35 O GLY A 6 20.215 18.648 14.246 1.00 10.15 O ATOM 36 N THR A 7 20.644 20.318 12.800 1.00 9.01 N ATOM 37 CA THR A 7 21.533 19.549 11.955 1.00 8.10 C ATOM 38 C THR A 7 22.811 20.330 11.743 1.00 7.41 C ATOM 39 O THR A 7 22.867 21.550 11.955 1.00 9.47 O ATOM 40 CB THR A 7 20.896 19.219 10.586 1.00 9.45 C ATOM 41 OG1 THR A 7 20.703 20.429 9.848 1.00 11.96 O ATOM 42 CG2 THR A 7 19.571 18.488 10.743 1.00 10.01 C ATOM 43 N GLY A 8 23.834 19.611 11.314 1.00 6.97 N ATOM 44 CA GLY A 8 25.103 20.237 11.019 1.00 7.38 C ATOM 45 C GLY A 8 26.149 19.206 10.692 1.00 6.50 C ATOM 46 O GLY A 8 25.836 18.074 10.315 1.00 6.23 O ATOM 47 N TYR A 9 27.403 19.618 10.834 1.00 6.94 N ATOM 48 CA TYR A 9 28.542 18.785 10.500 1.00 7.32 C ATOM 49 C TYR A 9 29.512 18.830 11.670 1.00 8.00 C ATOM 50 O TYR A 9 29.731 19.881 12.276 1.00 9.95 O ATOM 51 CB TYR A 9 29.197 19.262 9.192 1.00 8.02 C ATOM 52 CG TYR A 9 28.218 19.190 8.048 1.00 8.02 C ATOM 53 CD1 TYR A 9 28.025 18.006 7.361 1.00 8.16 C ATOM 54 CD2 TYR A 9 27.435 20.281 7.708 1.00 8.88 C ATOM 55 CE1 TYR A 9 27.102 17.910 6.351 1.00 8.74 C ATOM 56 CE2 TYR A 9 26.496 20.197 6.691 1.00 9.46 C ATOM 57 CZ TYR A 9 26.337 19.003 6.016 1.00 9.31 C ATOM 58 OH TYR A 9 25.412 18.867 5.000 1.00 11.26 O ATOM 59 N ASN A 10 30.058 17.677 12.017 1.00 7.07 N ATOM 60 CA ASN A 10 30.934 17.543 13.166 1.00 6.83 C ATOM 61 C ASN A 10 31.979 16.487 12.843 1.00 6.42 C ATOM 62 O ASN A 10 31.641 15.329 12.569 1.00 6.41 O ATOM 63 CB ASN A 10 30.118 17.134 14.388 1.00 7.59 C ATOM 64 CG ASN A 10 30.973 16.951 15.617 1.00 8.66 C ATOM 65 OD1 ASN A 10 31.243 15.842 16.046 1.00 8.74 O ATOM 66 ND2 ASN A 10 31.426 18.049 16.173 1.00 11.51 N ATOM 67 N ASN A 11 33.238 16.901 12.822 1.00 6.66 N ATOM 68 CA ASN A 11 34.355 15.982 12.664 1.00 6.96 C ATOM 69 C ASN A 11 34.266 15.106 11.409 1.00 6.71 C ATOM 70 O ASN A 11 34.658 13.939 11.407 1.00 8.07 O ATOM 71 CB ASN A 11 34.529 15.144 13.924 1.00 8.10 C ATOM 72 CG ASN A 11 34.923 15.996 15.105 1.00 9.37 C ATOM 73 OD1 ASN A 11 35.786 16.869 14.993 1.00 11.21 O ATOM 74 ND2 ASN A 11 34.298 15.762 16.245 1.00 9.99 N ATOM 75 N GLY A 12 33.753 15.694 10.328 1.00 6.35 N ATOM 76 CA GLY A 12 33.683 15.024 9.044 1.00 6.73 C ATOM 77 C GLY A 12 32.376 14.341 8.734 1.00 5.70 C ATOM 78 O GLY A 12 32.231 13.795 7.640 1.00 6.08 O ATOM 79 N TYR A 13 31.440 14.378 9.684 1.00 5.21 N ATOM 80 CA TYR A 13 30.167 13.671 9.569 1.00 5.30 C ATOM 81 C TYR A 13 29.004 14.645 9.686 1.00 4.97 C ATOM 82 O TYR A 13 29.007 15.562 10.512 1.00 6.00 O ATOM 83 CB TYR A 13 30.049 12.547 10.621 1.00 5.59 C ATOM 84 CG TYR A 13 31.015 11.448 10.314 1.00 5.45 C ATOM 85 CD2 TYR A 13 32.284 11.433 10.867 1.00 5.92 C ATOM 86 CD1 TYR A 13 30.693 10.468 9.395 1.00 6.85 C ATOM 87 CE2 TYR A 13 33.198 10.442 10.531 1.00 5.98 C ATOM 88 CE1 TYR A 13 31.592 9.491 9.045 1.00 7.87 C ATOM 89 CZ TYR A 13 32.848 9.480 9.604 1.00 7.14 C ATOM 90 OH TYR A 13 33.759 8.500 9.250 1.00 8.20 O ATOM 91 N PHE A 14 27.979 14.438 8.868 1.00 4.83 N ATOM 92 CA PHE A 14 26.700 15.079 9.110 1.00 5.08 C ATOM 93 C PHE A 14 26.112 14.552 10.416 1.00 4.96 C ATOM 94 O PHE A 14 26.328 13.388 10.775 1.00 5.24 O ATOM 95 CB PHE A 14 25.751 14.737 7.965 1.00 5.06 C ATOM 96 CG PHE A 14 24.343 15.241 8.148 1.00 5.27 C ATOM 97 CD1 PHE A 14 24.022 16.567 7.898 1.00 5.95 C ATOM 98 CD2 PHE A 14 23.325 14.381 8.505 1.00 5.78 C ATOM 99 CE1 PHE A 14 22.734 17.021 8.048 1.00 7.34 C ATOM 100 CE2 PHE A 14 22.036 14.848 8.652 1.00 6.74 C ATOM 101 CZ PHE A 14 21.745 16.160 8.411 1.00 7.06 C ATOM 102 N TYR A 15 25.355 15.387 11.115 1.00 4.82 N ATOM 103 CA TYR A 15 24.515 14.893 12.199 1.00 5.27 C ATOM 104 C TYR A 15 23.145 15.524 12.111 1.00 5.29 C ATOM 105 O TYR A 15 22.981 16.636 11.630 1.00 5.41 O ATOM 106 CB TYR A 15 25.122 15.143 13.595 1.00 5.97 C ATOM 107 CG TYR A 15 25.118 16.582 14.016 1.00 7.44 C ATOM 108 CD1 TYR A 15 24.042 17.115 14.710 1.00 9.49 C ATOM 109 CD2 TYR A 15 26.169 17.427 13.687 1.00 8.61 C ATOM 110 CE1 TYR A 15 24.023 18.446 15.073 1.00 11.31 C ATOM 111 CE2 TYR A 15 26.155 18.752 14.054 1.00 11.04 C ATOM 112 CZ TYR A 15 25.077 19.257 14.729 1.00 12.81 C ATOM 113 OH TYR A 15 25.054 20.583 15.099 1.00 17.06 O ATOM 114 N SER A 16 22.156 14.783 12.593 1.00 5.50 N ATOM 115 CA SER A 16 20.819 15.299 12.823 1.00 6.09 C ATOM 116 C SER A 16 20.388 14.893 14.217 1.00 5.92 C ATOM 117 O SER A 16 20.514 13.732 14.581 1.00 6.88 O ATOM 118 CB SER A 16 19.833 14.736 11.797 1.00 6.80 C ATOM 119 OG SER A 16 18.514 15.173 12.072 1.00 7.26 O ATOM 120 N TYR A 17 19.890 15.852 14.985 1.00 6.06 N ATOM 121 CA TYR A 17 19.249 15.573 16.258 1.00 6.56 C ATOM 122 C TYR A 17 17.904 16.282 16.247 1.00 7.16 C ATOM 123 O TYR A 17 17.845 17.499 16.124 1.00 7.41 O ATOM 124 CB TYR A 17 20.115 16.050 17.418 1.00 7.32 C ATOM 125 CG TYR A 17 19.388 16.067 18.741 1.00 7.15 C ATOM 126 CD1 TYR A 17 18.574 15.014 19.122 1.00 7.80 C ATOM 127 CD2 TYR A 17 19.517 17.143 19.603 1.00 9.03 C ATOM 128 CE1 TYR A 17 17.885 15.038 20.325 1.00 8.31 C ATOM 129 CE2 TYR A 17 18.850 17.179 20.809 1.00 9.86 C ATOM 130 CZ TYR A 17 18.032 16.129 21.160 1.00 9.41 C ATOM 131 OH TYR A 17 17.354 16.174 22.358 1.00 11.39 O ATOM 132 N TRP A 18 16.832 15.508 16.319 1.00 6.46 N ATOM 133 CA TRP A 18 15.481 16.040 16.313 1.00 6.89 C ATOM 134 C TRP A 18 14.734 15.494 17.511 1.00 6.78 C ATOM 135 O TRP A 18 14.889 14.328 17.866 1.00 7.19 O ATOM 136 CB TRP A 18 14.741 15.644 15.020 1.00 8.12 C ATOM 137 CG TRP A 18 13.302 16.026 15.030 1.00 8.57 C ATOM 138 CD1 TRP A 18 12.764 17.236 14.697 1.00 10.00 C ATOM 139 CD2 TRP A 18 12.211 15.205 15.450 1.00 9.02 C ATOM 140 NE1 TRP A 18 11.401 17.214 14.879 1.00 10.46 N ATOM 141 CE2 TRP A 18 11.034 15.972 15.325 1.00 9.80 C ATOM 142 CE3 TRP A 18 12.112 13.885 15.894 1.00 10.18 C ATOM 143 CZ2 TRP A 18 9.777 15.459 15.638 1.00 11.34 C ATOM 144 CZ3 TRP A 18 10.864 13.383 16.199 1.00 11.54 C ATOM 145 CH2 TRP A 18 9.721 14.169 16.077 1.00 11.78 C ATOM 146 N ASN A 19 13.922 16.326 18.141 1.00 7.95 N ATOM 147 CA ASN A 19 12.948 15.797 19.080 1.00 9.14 C ATOM 148 C ASN A 19 11.633 16.532 18.930 1.00 10.16 C ATOM 149 O ASN A 19 11.548 17.545 18.242 1.00 10.43 O ATOM 150 CB ASN A 19 13.458 15.758 20.529 1.00 10.30 C ATOM 151 CG ASN A 19 13.637 17.119 21.140 1.00 11.25 C ATOM 152 OD1 ASN A 19 12.774 17.991 21.009 1.00 12.53 O ATOM 153 ND2 ASN A 19 14.736 17.295 21.869 1.00 12.51 N ATOM 154 N ASP A 20 10.597 15.974 19.539 1.00 10.11 N ATOM 155 CA ASP A 20 9.240 16.497 19.423 1.00 11.31 C ATOM 156 C ASP A 20 8.933 17.646 20.375 1.00 12.01 C ATOM 157 O ASP A 20 7.786 18.058 20.496 1.00 14.14 O ATOM 158 CB ASP A 20 8.223 15.371 19.636 1.00 10.66 C ATOM 159 CG ASP A 20 8.305 14.742 21.018 1.00 10.16 C ATOM 160 OD1 ASP A 20 9.131 15.178 21.841 1.00 10.78 O ATOM 161 OD2 ASP A 20 7.537 13.781 21.249 1.00 11.09 O ATOM 162 N GLY A 21 9.946 18.149 21.065 1.00 11.60 N ATOM 163 CA GLY A 21 9.747 19.259 21.981 1.00 12.64 C ATOM 164 C GLY A 21 9.649 18.844 23.437 1.00 12.44 C ATOM 165 O GLY A 21 9.740 19.667 24.341 1.00 14.16 O ATOM 166 N HIS A 22 9.419 17.557 23.676 1.00 12.02 N ATOM 167 CA HIS A 22 9.373 17.043 25.038 1.00 12.10 C ATOM 168 C HIS A 22 10.801 16.886 25.550 1.00 13.48 C ATOM 169 O HIS A 22 11.726 16.581 24.794 1.00 14.49 O ATOM 170 CB HIS A 22 8.620 15.709 25.111 1.00 12.02 C ATOM 171 CG HIS A 22 7.134 15.843 24.977 1.00 12.68 C ATOM 172 ND1 HIS A 22 6.403 15.203 23.998 1.00 12.82 N ATOM 173 CD2 HIS A 22 6.242 16.547 25.713 1.00 13.39 C ATOM 174 CE1 HIS A 22 5.124 15.512 24.137 1.00 13.29 C ATOM 175 NE2 HIS A 22 5.000 16.325 25.170 1.00 13.85 N ATOM 186 N GLY A 23 10.970 17.124 26.840 1.00 13.72 N ATOM 187 CA GLY A 23 12.264 17.038 27.476 1.00 12.76 C ATOM 188 C GLY A 23 12.675 15.600 27.730 1.00 11.56 C ATOM 189 O GLY A 23 12.004 14.657 27.311 1.00 12.14 O ATOM 190 N GLY A 24 13.806 15.440 28.399 1.00 11.33 N ATOM 191 CA GLY A 24 14.274 14.143 28.826 1.00 10.36 C ATOM 192 C GLY A 24 15.309 13.506 27.923 1.00 10.32 C ATOM 193 O GLY A 24 15.620 12.342 28.104 1.00 11.84 O ATOM 194 N VAL A 25 15.847 14.247 26.959 1.00 8.47 N ATOM 195 CA VAL A 25 16.851 13.696 26.049 1.00 8.48 C ATOM 196 C VAL A 25 18.100 14.565 26.031 1.00 7.64 C ATOM 197 O VAL A 25 18.012 15.799 25.979 1.00 9.12 O ATOM 198 CB VAL A 25 16.315 13.636 24.597 1.00 10.00 C ATOM 199 CG1 VAL A 25 17.295 12.926 23.662 1.00 9.60 C ATOM 200 CG2 VAL A 25 14.976 12.966 24.545 1.00 10.93 C ATOM 201 N THR A 26 19.256 13.918 26.063 1.00 7.15 N ATOM 202 CA THR A 26 20.535 14.594 25.916 1.00 7.84 C ATOM 203 C THR A 26 21.275 13.922 24.769 1.00 7.19 C ATOM 204 O THR A 26 21.496 12.714 24.799 1.00 9.02 O ATOM 205 CB THR A 26 21.378 14.462 27.203 1.00 10.22 C ATOM 206 OG1 THR A 26 20.680 15.063 28.296 1.00 11.90 O ATOM 207 CG2 THR A 26 22.719 15.135 27.033 1.00 11.98 C ATOM 208 N TYR A 27 21.633 14.705 23.753 1.00 6.81 N ATOM 209 CA TYR A 27 22.382 14.238 22.595 1.00 6.48 C ATOM 210 C TYR A 27 23.729 14.940 22.578 1.00 6.71 C ATOM 211 O TYR A 27 23.796 16.155 22.735 1.00 8.30 O ATOM 212 CB TYR A 27 21.588 14.559 21.306 1.00 7.26 C ATOM 213 CG TYR A 27 22.371 14.252 20.048 1.00 7.37 C ATOM 214 CD2 TYR A 27 22.231 13.034 19.397 1.00 7.26 C ATOM 215 CD1 TYR A 27 23.287 15.159 19.538 1.00 7.86 C ATOM 216 CE2 TYR A 27 22.976 12.734 18.275 1.00 7.81 C ATOM 217 CE1 TYR A 27 24.038 14.876 18.414 1.00 7.64 C ATOM 218 CZ TYR A 27 23.894 13.652 17.794 1.00 7.26 C ATOM 219 OH TYR A 27 24.643 13.330 16.681 1.00 8.15 O ATOM 220 N THR A 28 24.794 14.171 22.377 1.00 6.71 N ATOM 221 CA THR A 28 26.147 14.710 22.377 1.00 7.33 C ATOM 222 C THR A 28 26.949 14.191 21.181 1.00 6.96 C ATOM 223 O THR A 28 27.005 12.994 20.932 1.00 8.09 O ATOM 224 CB THR A 28 26.880 14.298 23.672 1.00 10.17 C ATOM 225 OG1 THR A 28 26.070 14.629 24.806 1.00 11.07 O ATOM 226 CG2 THR A 28 28.233 14.972 23.782 1.00 12.13 C ATOM 227 N ASN A 29 27.579 15.096 20.440 1.00 7.19 N ATOM 228 CA ASN A 29 28.550 14.706 19.431 1.00 7.57 C ATOM 229 C ASN A 29 29.906 14.486 20.073 1.00 7.97 C ATOM 230 O ASN A 29 30.357 15.285 20.887 1.00 10.50 O ATOM 231 CB ASN A 29 28.676 15.779 18.358 1.00 7.85 C ATOM 232 CG ASN A 29 27.515 15.767 17.388 1.00 8.76 C ATOM 233 OD1 ASN A 29 27.038 14.706 16.995 1.00 9.01 O ATOM 234 ND2 ASN A 29 27.061 16.948 16.986 1.00 10.27 N ATOM 235 N GLY A 30 30.561 13.405 19.679 1.00 7.19 N ATOM 236 CA GLY A 30 31.906 13.105 20.102 1.00 7.46 C ATOM 237 C GLY A 30 32.895 13.225 18.961 1.00 8.13 C ATOM 238 O GLY A 30 32.580 13.709 17.867 1.00 8.53 O ATOM 239 N PRO A 31 34.123 12.786 19.212 1.00 8.78 N ATOM 240 CA PRO A 31 35.159 12.825 18.186 1.00 9.31 C ATOM 241 C PRO A 31 34.810 11.908 17.016 1.00 8.51 C ATOM 242 O PRO A 31 34.071 10.934 17.155 1.00 9.39 O ATOM 243 CB PRO A 31 36.392 12.301 18.915 1.00 11.49 C ATOM 244 CG PRO A 31 35.849 11.447 19.983 1.00 13.14 C ATOM 245 CD PRO A 31 34.582 12.112 20.433 1.00 10.13 C ATOM 246 N GLY A 32 35.337 12.233 15.846 1.00 8.80 N ATOM 247 CA GLY A 32 35.157 11.384 14.688 1.00 9.08 C ATOM 248 C GLY A 32 33.688 11.135 14.392 1.00 7.51 C ATOM 249 O GLY A 32 32.887 12.075 14.346 1.00 7.67 O ATOM 250 N GLY A 33 33.339 9.872 14.163 1.00 7.67 N ATOM 251 CA GLY A 33 31.969 9.509 13.862 1.00 6.71 C ATOM 252 C GLY A 33 31.134 9.151 15.082 1.00 6.18 C ATOM 253 O GLY A 33 30.106 8.502 14.942 1.00 6.44 O ATOM 254 N GLN A 34 31.543 9.586 16.275 1.00 5.99 N ATOM 255 CA GLN A 34 30.890 9.161 17.509 1.00 6.20 C ATOM 256 C GLN A 34 29.798 10.119 17.947 1.00 5.48 C ATOM 257 O GLN A 34 29.938 11.331 17.837 1.00 5.99 O ATOM 258 CB GLN A 34 31.923 9.021 18.623 1.00 6.53 C ATOM 259 CG GLN A 34 31.435 8.220 19.836 1.00 8.20 C ATOM 260 CD GLN A 34 30.810 9.042 20.932 1.00 8.35 C ATOM 261 OE1 GLN A 34 30.769 10.267 20.892 1.00 9.19 O ATOM 262 NE2 GLN A 34 30.271 8.352 21.915 1.00 11.82 N ATOM 263 N PHE A 35 28.716 9.562 18.479 1.00 5.55 N ATOM 264 CA PHE A 35 27.708 10.344 19.172 1.00 5.72 C ATOM 265 C PHE A 35 27.139 9.501 20.292 1.00 5.40 C ATOM 266 O PHE A 35 27.270 8.284 20.304 1.00 6.00 O ATOM 267 CB PHE A 35 26.588 10.798 18.220 1.00 6.23 C ATOM 268 CG PHE A 35 25.715 9.680 17.720 1.00 6.26 C ATOM 269 CD1 PHE A 35 26.089 8.915 16.619 1.00 6.45 C ATOM 270 CD2 PHE A 35 24.528 9.385 18.346 1.00 6.51 C ATOM 271 CE1 PHE A 35 25.293 7.884 16.170 1.00 7.08 C ATOM 272 CE2 PHE A 35 23.738 8.348 17.896 1.00 6.76 C ATOM 273 CZ PHE A 35 24.113 7.600 16.798 1.00 6.66 C ATOM 274 N SER A 36 26.499 10.154 21.243 1.00 6.16 N ATOM 275 CA SER A 36 25.829 9.425 22.296 1.00 6.28 C ATOM 276 C SER A 36 24.521 10.093 22.648 1.00 5.97 C ATOM 277 O SER A 36 24.312 11.278 22.378 1.00 6.48 O ATOM 278 CB SER A 36 26.718 9.255 23.531 1.00 7.35 C ATOM 279 OG SER A 36 27.101 10.493 24.084 1.00 9.34 O ATOM 280 N VAL A 37 23.614 9.309 23.204 1.00 5.93 N ATOM 281 CA VAL A 37 22.326 9.824 23.630 1.00 6.47 C ATOM 282 C VAL A 37 21.984 9.181 24.967 1.00 6.48 C ATOM 283 O VAL A 37 22.221 8.002 25.187 1.00 8.30 O ATOM 284 CB VAL A 37 21.188 9.488 22.629 1.00 9.50 C ATOM 285 CG1 VAL A 37 19.968 10.330 22.918 1.00 10.95 C ATOM 286 CG2 VAL A 37 21.634 9.648 21.192 1.00 12.10 C ATOM 287 N ASN A 38 21.396 9.969 25.853 1.00 6.51 N ATOM 288 CA ASN A 38 20.906 9.466 27.125 1.00 7.39 C ATOM 289 C ASN A 38 19.547 10.071 27.363 1.00 6.94 C ATOM 290 O ASN A 38 19.395 11.286 27.306 1.00 7.87 O ATOM 291 CB ASN A 38 21.876 9.813 28.247 1.00 9.05 C ATOM 292 CG ASN A 38 23.121 8.968 28.198 1.00 10.90 C ATOM 293 OD1 ASN A 38 23.119 7.831 28.666 1.00 10.93 O ATOM 294 ND2 ASN A 38 24.184 9.503 27.606 1.00 12.47 N ATOM 303 N TRP A 39 18.555 9.226 27.611 1.00 6.38 N ATOM 304 CA TRP A 39 17.191 9.712 27.694 1.00 7.13 C ATOM 305 C TRP A 39 16.456 9.075 28.853 1.00 7.20 C ATOM 306 O TRP A 39 16.706 7.932 29.223 1.00 7.29 O ATOM 307 CB TRP A 39 16.460 9.555 26.354 1.00 7.41 C ATOM 308 CG TRP A 39 16.138 8.177 25.853 1.00 7.41 C ATOM 309 CD1 TRP A 39 14.904 7.614 25.843 1.00 7.80 C ATOM 310 CD2 TRP A 39 17.011 7.230 25.208 1.00 7.39 C ATOM 311 NE1 TRP A 39 14.938 6.379 25.241 1.00 8.62 N ATOM 312 CE2 TRP A 39 16.220 6.119 24.844 1.00 8.20 C ATOM 313 CE3 TRP A 39 18.371 7.218 24.880 1.00 7.09 C ATOM 314 CZ2 TRP A 39 16.745 5.000 24.188 1.00 9.04 C ATOM 315 CZ3 TRP A 39 18.888 6.107 24.220 1.00 7.82 C ATOM 316 CH2 TRP A 39 18.076 5.020 23.883 1.00 8.40 C ATOM 317 N SER A 40 15.557 9.853 29.435 1.00 8.36 N ATOM 318 CA SER A 40 14.797 9.429 30.600 1.00 9.41 C ATOM 319 C SER A 40 13.407 10.004 30.472 1.00 10.58 C ATOM 320 O SER A 40 13.241 11.215 30.510 1.00 11.66 O ATOM 321 CB SER A 40 15.446 9.968 31.874 1.00 10.74 C ATOM 322 OG SER A 40 16.751 9.449 32.061 1.00 13.53 O ATOM 323 N ASN A 41 12.411 9.142 30.316 1.00 10.65 N ATOM 324 CA ASN A 41 11.036 9.596 30.104 1.00 12.63 C ATOM 325 C ASN A 41 10.968 10.641 28.996 1.00 12.08 C ATOM 326 O ASN A 41 10.466 11.751 29.197 1.00 13.25 O ATOM 327 CB ASN A 41 10.443 10.173 31.400 1.00 15.75 C ATOM 328 CG ASN A 41 10.156 9.112 32.445 1.00 19.50 C ATOM 329 OD1 ASN A 41 10.120 7.920 32.152 1.00 20.32 O ATOM 330 ND2 ASN A 41 9.910 9.554 33.664 1.00 21.75 N ATOM 331 N SER A 42 11.468 10.270 27.823 1.00 10.26 N ATOM 332 CA SER A 42 11.490 11.164 26.672 1.00 9.95 C ATOM 333 C SER A 42 10.119 11.290 26.018 1.00 8.99 C ATOM 334 O SER A 42 9.166 10.649 26.431 1.00 9.97 O ATOM 335 CB SER A 42 12.463 10.613 25.629 1.00 9.85 C ATOM 336 OG SER A 42 11.963 9.409 25.060 1.00 10.52 O ATOM 337 N GLY A 43 10.047 12.107 24.969 1.00 8.61 N ATOM 338 CA GLY A 43 9.016 11.956 23.957 1.00 8.02 C ATOM 339 C GLY A 43 9.598 11.167 22.796 1.00 7.92 C ATOM 340 O GLY A 43 10.341 10.205 23.001 1.00 8.74 O ATOM 341 N ASN A 44 9.275 11.586 21.578 1.00 7.99 N ATOM 342 CA ASN A 44 9.878 11.013 20.371 1.00 7.59 C ATOM 343 C ASN A 44 11.111 11.823 20.006 1.00 7.50 C ATOM 344 O ASN A 44 11.063 13.051 20.003 1.00 8.25 O ATOM 345 CB ASN A 44 8.872 11.054 19.219 1.00 7.91 C ATOM 346 CG ASN A 44 9.354 10.306 17.991 1.00 7.99 C ATOM 347 OD1 ASN A 44 10.212 9.425 18.068 1.00 9.20 O ATOM 348 ND2 ASN A 44 8.788 10.641 16.842 1.00 9.48 N ATOM 349 N PHE A 45 12.216 11.138 19.719 1.00 6.72 N ATOM 350 CA PHE A 45 13.426 11.797 19.233 1.00 6.79 C ATOM 351 C PHE A 45 14.179 10.852 18.317 1.00 6.27 C ATOM 352 O PHE A 45 14.046 9.629 18.416 1.00 6.28 O ATOM 353 CB PHE A 45 14.354 12.214 20.392 1.00 6.75 C ATOM 354 CG PHE A 45 15.055 11.061 21.046 1.00 7.62 C ATOM 355 CD2 PHE A 45 14.500 10.410 22.138 1.00 8.68 C ATOM 356 CD1 PHE A 45 16.261 10.589 20.538 1.00 8.00 C ATOM 357 CE2 PHE A 45 15.158 9.326 22.710 1.00 10.07 C ATOM 358 CE1 PHE A 45 16.903 9.512 21.103 1.00 9.72 C ATOM 359 CZ PHE A 45 16.356 8.882 22.187 1.00 10.79 C ATOM 360 N VAL A 46 14.974 11.446 17.432 1.00 6.10 N ATOM 361 CA VAL A 46 15.860 10.723 16.528 1.00 5.95 C ATOM 362 C VAL A 46 17.163 11.484 16.411 1.00 6.09 C ATOM 363 O VAL A 46 17.151 12.657 16.038 1.00 6.95 O ATOM 364 CB VAL A 46 15.253 10.633 15.107 1.00 7.59 C ATOM 365 CG1 VAL A 46 16.227 9.965 14.145 1.00 7.65 C ATOM 366 CG2 VAL A 46 13.922 9.886 15.133 1.00 7.77 C ATOM 367 N GLY A 47 18.292 10.837 16.699 1.00 5.73 N ATOM 368 CA GLY A 47 19.574 11.500 16.512 1.00 6.01 C ATOM 369 C GLY A 47 20.669 10.553 16.075 1.00 5.07 C ATOM 370 O GLY A 47 20.684 9.382 16.447 1.00 5.52 O ATOM 371 N GLY A 48 21.617 11.080 15.305 1.00 5.08 N ATOM 372 CA GLY A 48 22.804 10.339 14.952 1.00 4.99 C ATOM 373 C GLY A 48 23.641 11.013 13.895 1.00 4.63 C ATOM 374 O GLY A 48 23.366 12.142 13.477 1.00 6.03 O ATOM 375 N LYS A 49 24.665 10.284 13.453 1.00 4.79 N ATOM 376 CA LYS A 49 25.694 10.780 12.542 1.00 4.91 C ATOM 377 C LYS A 49 25.729 9.978 11.251 1.00 4.60 C ATOM 378 O LYS A 49 25.400 8.797 11.208 1.00 5.08 O ATOM 379 CB LYS A 49 27.085 10.717 13.181 1.00 5.12 C ATOM 380 CG LYS A 49 27.461 11.961 13.966 1.00 5.80 C ATOM 381 CD LYS A 49 28.897 11.869 14.490 1.00 6.11 C ATOM 382 CE LYS A 49 29.360 13.176 15.052 1.00 7.11 C ATOM 383 NZ LYS A 49 30.687 13.084 15.712 1.00 7.28 N ATOM 384 N GLY A 50 26.185 10.636 10.199 1.00 4.77 N ATOM 385 CA GLY A 50 26.365 9.988 8.917 1.00 4.63 C ATOM 386 C GLY A 50 26.704 10.990 7.836 1.00 4.40 C ATOM 387 O GLY A 50 27.732 11.669 7.896 1.00 4.87 O TER END s$r CRYST1 41.392 28.519 38.664 90.00 90.00 90.00 P 1 ATOM 1 N THR A 2 27.280 18.467 23.988 1.00 25.52 N ATOM 2 CA THR A 2 25.825 18.329 24.034 1.00 24.98 C ATOM 3 C THR A 2 25.162 19.532 23.362 1.00 25.01 C ATOM 4 O THR A 2 25.590 20.671 23.562 1.00 26.12 O ATOM 5 CB THR A 2 25.319 18.211 25.487 1.00 24.01 C ATOM 6 OG1 THR A 2 23.926 17.869 25.486 1.00 22.28 O ATOM 7 CG2 THR A 2 25.526 19.530 26.239 1.00 24.55 C ATOM 8 N ILE A 3 24.114 19.277 22.580 1.00 23.49 N ATOM 9 CA ILE A 3 23.513 20.315 21.737 1.00 22.04 C ATOM 10 C ILE A 3 21.987 20.292 21.685 1.00 19.94 C ATOM 11 O ILE A 3 21.355 19.303 22.052 1.00 19.14 O ATOM 12 CB ILE A 3 24.019 20.209 20.292 1.00 23.36 C ATOM 13 CG1 ILE A 3 23.620 18.866 19.679 1.00 23.11 C ATOM 14 CG2 ILE A 3 25.531 20.392 20.246 1.00 24.03 C ATOM 15 CD1 ILE A 3 22.410 18.943 18.785 1.00 23.70 C ATOM 16 N GLN A 4 21.410 21.397 21.215 1.00 19.34 N ATOM 17 CA GLN A 4 19.973 21.492 20.988 1.00 19.59 C ATOM 18 C GLN A 4 19.616 20.884 19.636 1.00 16.28 C ATOM 19 O GLN A 4 20.492 20.676 18.795 1.00 16.31 O ATOM 20 CB GLN A 4 19.522 22.952 21.035 1.00 23.23 C ATOM 21 CG GLN A 4 19.689 23.612 22.397 1.00 27.23 C ATOM 22 CD GLN A 4 18.799 22.978 23.444 1.00 30.62 C ATOM 23 OE1 GLN A 4 19.246 22.156 24.240 1.00 32.12 O ATOM 24 NE2 GLN A 4 17.524 23.354 23.442 1.00 32.28 N ATOM 25 N PRO A 5 18.329 20.582 19.422 1.00 14.64 N ATOM 26 CA PRO A 5 17.943 19.990 18.136 1.00 12.90 C ATOM 27 C PRO A 5 18.362 20.849 16.954 1.00 11.81 C ATOM 28 O PRO A 5 18.266 22.074 16.971 1.00 13.24 O ATOM 29 CB PRO A 5 16.420 19.907 18.238 1.00 13.99 C ATOM 30 CG PRO A 5 16.060 21.025 19.164 1.00 15.36 C ATOM 31 CD PRO A 5 17.176 21.079 20.179 1.00 15.61 C ATOM 32 N GLY A 6 18.849 20.171 15.929 1.00 10.60 N ATOM 33 CA GLY A 6 19.285 20.807 14.707 1.00 10.46 C ATOM 34 C GLY A 6 20.101 19.824 13.900 1.00 9.44 C ATOM 35 O GLY A 6 20.215 18.648 14.246 1.00 10.15 O ATOM 36 N THR A 7 20.644 20.318 12.800 1.00 9.01 N ATOM 37 CA THR A 7 21.533 19.549 11.955 1.00 8.10 C ATOM 38 C THR A 7 22.811 20.330 11.743 1.00 7.41 C ATOM 39 O THR A 7 22.867 21.550 11.955 1.00 9.47 O ATOM 40 CB THR A 7 20.896 19.219 10.586 1.00 9.45 C ATOM 41 OG1 THR A 7 21.729 18.290 9.886 1.00 11.96 O ATOM 42 CG2 THR A 7 20.690 20.470 9.745 1.00 10.01 C ATOM 43 N GLY A 8 23.834 19.611 11.314 1.00 6.97 N ATOM 44 CA GLY A 8 25.103 20.237 11.019 1.00 7.38 C ATOM 45 C GLY A 8 26.149 19.206 10.692 1.00 6.50 C ATOM 46 O GLY A 8 25.836 18.074 10.315 1.00 6.23 O ATOM 47 N TYR A 9 27.403 19.618 10.834 1.00 6.94 N ATOM 48 CA TYR A 9 28.542 18.785 10.500 1.00 7.32 C ATOM 49 C TYR A 9 29.512 18.830 11.670 1.00 8.00 C ATOM 50 O TYR A 9 29.731 19.881 12.276 1.00 9.95 O ATOM 51 CB TYR A 9 29.197 19.262 9.192 1.00 8.02 C ATOM 52 CG TYR A 9 28.247 19.107 8.032 1.00 8.02 C ATOM 53 CD1 TYR A 9 27.467 17.973 7.908 1.00 8.16 C ATOM 54 CD2 TYR A 9 28.074 20.126 7.109 1.00 8.88 C ATOM 55 CE1 TYR A 9 26.561 17.838 6.887 1.00 8.74 C ATOM 56 CE2 TYR A 9 27.160 20.004 6.074 1.00 9.46 C ATOM 57 CZ TYR A 9 26.406 18.852 5.971 1.00 9.31 C ATOM 58 OH TYR A 9 25.478 18.685 4.962 1.00 11.26 O ATOM 59 N ASN A 10 30.058 17.677 12.017 1.00 7.07 N ATOM 60 CA ASN A 10 30.934 17.543 13.166 1.00 6.83 C ATOM 61 C ASN A 10 31.979 16.487 12.843 1.00 6.42 C ATOM 62 O ASN A 10 31.641 15.329 12.569 1.00 6.41 O ATOM 63 CB ASN A 10 30.118 17.134 14.388 1.00 7.59 C ATOM 64 CG ASN A 10 30.942 17.117 15.651 1.00 8.66 C ATOM 65 OD1 ASN A 10 32.159 17.047 15.618 1.00 8.74 O ATOM 66 ND2 ASN A 10 30.274 17.208 16.776 1.00 11.51 N ATOM 67 N ASN A 11 33.238 16.901 12.822 1.00 6.66 N ATOM 68 CA ASN A 11 34.355 15.982 12.664 1.00 6.96 C ATOM 69 C ASN A 11 34.266 15.106 11.409 1.00 6.71 C ATOM 70 O ASN A 11 34.658 13.939 11.407 1.00 8.07 O ATOM 71 CB ASN A 11 34.529 15.144 13.924 1.00 8.10 C ATOM 72 CG ASN A 11 35.061 15.970 15.069 1.00 9.37 C ATOM 73 OD1 ASN A 11 35.686 17.011 14.858 1.00 11.21 O ATOM 74 ND2 ASN A 11 34.818 15.526 16.289 1.00 9.99 N ATOM 75 N GLY A 12 33.753 15.694 10.328 1.00 6.35 N ATOM 76 CA GLY A 12 33.683 15.024 9.044 1.00 6.73 C ATOM 77 C GLY A 12 32.376 14.341 8.734 1.00 5.70 C ATOM 78 O GLY A 12 32.231 13.795 7.640 1.00 6.08 O ATOM 79 N TYR A 13 31.440 14.378 9.684 1.00 5.21 N ATOM 80 CA TYR A 13 30.167 13.671 9.569 1.00 5.30 C ATOM 81 C TYR A 13 29.004 14.645 9.686 1.00 4.97 C ATOM 82 O TYR A 13 29.007 15.562 10.512 1.00 6.00 O ATOM 83 CB TYR A 13 30.049 12.547 10.621 1.00 5.59 C ATOM 84 CG TYR A 13 31.091 11.502 10.381 1.00 5.45 C ATOM 85 CD2 TYR A 13 31.859 11.002 11.418 1.00 5.92 C ATOM 86 CD1 TYR A 13 31.375 11.078 9.097 1.00 6.85 C ATOM 87 CE2 TYR A 13 32.866 10.076 11.180 1.00 5.98 C ATOM 88 CE1 TYR A 13 32.377 10.173 8.847 1.00 7.87 C ATOM 89 CZ TYR A 13 33.130 9.677 9.884 1.00 7.14 C ATOM 90 OH TYR A 13 34.144 8.768 9.636 1.00 8.20 O ATOM 91 N PHE A 14 27.979 14.438 8.868 1.00 4.83 N ATOM 92 CA PHE A 14 26.700 15.079 9.110 1.00 5.08 C ATOM 93 C PHE A 14 26.112 14.552 10.416 1.00 4.96 C ATOM 94 O PHE A 14 26.328 13.388 10.775 1.00 5.24 O ATOM 95 CB PHE A 14 25.751 14.737 7.965 1.00 5.06 C ATOM 96 CG PHE A 14 25.504 13.263 7.776 1.00 5.27 C ATOM 97 CD1 PHE A 14 24.490 12.615 8.466 1.00 5.95 C ATOM 98 CD2 PHE A 14 26.238 12.534 6.863 1.00 5.78 C ATOM 99 CE1 PHE A 14 24.254 11.275 8.280 1.00 7.34 C ATOM 100 CE2 PHE A 14 25.993 11.189 6.684 1.00 6.74 C ATOM 101 CZ PHE A 14 24.996 10.570 7.383 1.00 7.06 C ATOM 102 N TYR A 15 25.355 15.387 11.115 1.00 4.82 N ATOM 103 CA TYR A 15 24.515 14.893 12.199 1.00 5.27 C ATOM 104 C TYR A 15 23.145 15.524 12.111 1.00 5.29 C ATOM 105 O TYR A 15 22.981 16.636 11.630 1.00 5.41 O ATOM 106 CB TYR A 15 25.122 15.143 13.595 1.00 5.97 C ATOM 107 CG TYR A 15 25.290 16.593 13.939 1.00 7.44 C ATOM 108 CD1 TYR A 15 24.268 17.298 14.557 1.00 9.49 C ATOM 109 CD2 TYR A 15 26.453 17.276 13.613 1.00 8.61 C ATOM 110 CE1 TYR A 15 24.409 18.639 14.848 1.00 11.31 C ATOM 111 CE2 TYR A 15 26.599 18.611 13.909 1.00 11.04 C ATOM 112 CZ TYR A 15 25.572 19.287 14.508 1.00 12.81 C ATOM 113 OH TYR A 15 25.708 20.625 14.807 1.00 17.06 O ATOM 114 N SER A 16 22.156 14.783 12.593 1.00 5.50 N ATOM 115 CA SER A 16 20.819 15.299 12.823 1.00 6.09 C ATOM 116 C SER A 16 20.388 14.893 14.217 1.00 5.92 C ATOM 117 O SER A 16 20.514 13.732 14.581 1.00 6.88 O ATOM 118 CB SER A 16 19.833 14.736 11.797 1.00 6.80 C ATOM 119 OG SER A 16 19.708 13.332 11.935 1.00 7.26 O ATOM 120 N TYR A 17 19.890 15.852 14.985 1.00 6.06 N ATOM 121 CA TYR A 17 19.249 15.573 16.258 1.00 6.56 C ATOM 122 C TYR A 17 17.904 16.282 16.247 1.00 7.16 C ATOM 123 O TYR A 17 17.845 17.499 16.124 1.00 7.41 O ATOM 124 CB TYR A 17 20.115 16.050 17.418 1.00 7.32 C ATOM 125 CG TYR A 17 19.460 15.875 18.767 1.00 7.15 C ATOM 126 CD1 TYR A 17 19.398 14.632 19.374 1.00 7.80 C ATOM 127 CD2 TYR A 17 18.900 16.957 19.425 1.00 9.03 C ATOM 128 CE1 TYR A 17 18.774 14.463 20.601 1.00 8.31 C ATOM 129 CE2 TYR A 17 18.287 16.811 20.651 1.00 9.86 C ATOM 130 CZ TYR A 17 18.221 15.563 21.229 1.00 9.41 C ATOM 131 OH TYR A 17 17.595 15.416 22.447 1.00 11.39 O ATOM 132 N TRP A 18 16.832 15.508 16.319 1.00 6.46 N ATOM 133 CA TRP A 18 15.481 16.040 16.313 1.00 6.89 C ATOM 134 C TRP A 18 14.734 15.494 17.511 1.00 6.78 C ATOM 135 O TRP A 18 14.889 14.328 17.866 1.00 7.19 O ATOM 136 CB TRP A 18 14.741 15.644 15.020 1.00 8.12 C ATOM 137 CG TRP A 18 13.364 16.204 14.940 1.00 8.57 C ATOM 138 CD1 TRP A 18 12.991 17.417 14.436 1.00 10.00 C ATOM 139 CD2 TRP A 18 12.171 15.593 15.434 1.00 9.02 C ATOM 140 NE1 TRP A 18 11.635 17.594 14.582 1.00 10.46 N ATOM 141 CE2 TRP A 18 11.105 16.480 15.177 1.00 9.80 C ATOM 142 CE3 TRP A 18 11.897 14.368 16.045 1.00 10.18 C ATOM 143 CZ2 TRP A 18 9.789 16.178 15.520 1.00 11.34 C ATOM 144 CZ3 TRP A 18 10.591 14.075 16.379 1.00 11.54 C ATOM 145 CH2 TRP A 18 9.561 14.977 16.124 1.00 11.78 C ATOM 146 N ASN A 19 13.922 16.326 18.141 1.00 7.95 N ATOM 147 CA ASN A 19 12.948 15.797 19.080 1.00 9.14 C ATOM 148 C ASN A 19 11.633 16.532 18.930 1.00 10.16 C ATOM 149 O ASN A 19 11.548 17.545 18.242 1.00 10.43 O ATOM 150 CB ASN A 19 13.458 15.758 20.529 1.00 10.30 C ATOM 151 CG ASN A 19 13.767 17.116 21.094 1.00 11.25 C ATOM 152 OD1 ASN A 19 13.840 18.106 20.362 1.00 12.53 O ATOM 153 ND2 ASN A 19 13.890 17.186 22.417 1.00 12.51 N ATOM 154 N ASP A 20 10.597 15.974 19.539 1.00 10.11 N ATOM 155 CA ASP A 20 9.240 16.497 19.423 1.00 11.31 C ATOM 156 C ASP A 20 8.933 17.646 20.375 1.00 12.01 C ATOM 157 O ASP A 20 7.786 18.058 20.496 1.00 14.14 O ATOM 158 CB ASP A 20 8.223 15.371 19.636 1.00 10.66 C ATOM 159 CG ASP A 20 6.783 15.817 19.435 1.00 10.16 C ATOM 160 OD1 ASP A 20 6.547 16.995 19.110 1.00 10.78 O ATOM 161 OD2 ASP A 20 5.892 14.961 19.637 1.00 11.09 O ATOM 162 N GLY A 21 9.946 18.149 21.065 1.00 11.60 N ATOM 163 CA GLY A 21 9.747 19.259 21.981 1.00 12.64 C ATOM 164 C GLY A 21 9.649 18.844 23.437 1.00 12.44 C ATOM 165 O GLY A 21 9.740 19.667 24.341 1.00 14.16 O ATOM 166 N HIS A 22 9.419 17.557 23.676 1.00 12.02 N ATOM 167 CA HIS A 22 9.373 17.043 25.038 1.00 12.10 C ATOM 168 C HIS A 22 10.801 16.886 25.550 1.00 13.48 C ATOM 169 O HIS A 22 11.726 16.581 24.794 1.00 14.49 O ATOM 170 CB HIS A 22 8.620 15.709 25.111 1.00 12.02 C ATOM 171 CG HIS A 22 7.162 15.817 24.786 1.00 12.68 C ATOM 172 ND1 HIS A 22 6.673 15.818 23.497 1.00 12.82 N ATOM 173 CD2 HIS A 22 6.083 15.922 25.598 1.00 13.39 C ATOM 174 CE1 HIS A 22 5.354 15.923 23.530 1.00 13.29 C ATOM 175 NE2 HIS A 22 4.972 15.987 24.793 1.00 13.85 N ATOM 176 N GLY A 23 10.970 17.124 26.840 1.00 13.72 N ATOM 177 CA GLY A 23 12.264 17.038 27.476 1.00 12.76 C ATOM 178 C GLY A 23 12.675 15.600 27.730 1.00 11.56 C ATOM 179 O GLY A 23 12.004 14.657 27.311 1.00 12.14 O ATOM 180 N GLY A 24 13.806 15.440 28.399 1.00 11.33 N ATOM 181 CA GLY A 24 14.274 14.143 28.826 1.00 10.36 C ATOM 182 C GLY A 24 15.309 13.506 27.923 1.00 10.32 C ATOM 183 O GLY A 24 15.620 12.342 28.104 1.00 11.84 O ATOM 184 N VAL A 25 15.847 14.247 26.959 1.00 8.47 N ATOM 185 CA VAL A 25 16.851 13.696 26.049 1.00 8.48 C ATOM 186 C VAL A 25 18.100 14.565 26.031 1.00 7.64 C ATOM 187 O VAL A 25 18.012 15.799 25.979 1.00 9.12 O ATOM 188 CB VAL A 25 16.315 13.636 24.597 1.00 10.00 C ATOM 189 CG1 VAL A 25 15.127 12.681 24.472 1.00 9.60 C ATOM 190 CG2 VAL A 25 15.933 15.000 24.108 1.00 10.93 C ATOM 191 N THR A 26 19.256 13.918 26.063 1.00 7.15 N ATOM 192 CA THR A 26 20.535 14.594 25.916 1.00 7.84 C ATOM 193 C THR A 26 21.275 13.922 24.769 1.00 7.19 C ATOM 194 O THR A 26 21.496 12.714 24.799 1.00 9.02 O ATOM 195 CB THR A 26 21.378 14.462 27.203 1.00 10.22 C ATOM 196 OG1 THR A 26 22.529 15.304 27.109 1.00 11.90 O ATOM 197 CG2 THR A 26 21.817 13.032 27.408 1.00 11.98 C ATOM 198 N TYR A 27 21.633 14.705 23.753 1.00 6.81 N ATOM 199 CA TYR A 27 22.382 14.238 22.595 1.00 6.48 C ATOM 200 C TYR A 27 23.729 14.940 22.578 1.00 6.71 C ATOM 201 O TYR A 27 23.796 16.155 22.735 1.00 8.30 O ATOM 202 CB TYR A 27 21.588 14.559 21.306 1.00 7.26 C ATOM 203 CG TYR A 27 22.345 14.191 20.049 1.00 7.37 C ATOM 204 CD2 TYR A 27 22.928 15.167 19.252 1.00 7.26 C ATOM 205 CD1 TYR A 27 22.436 12.872 19.630 1.00 7.86 C ATOM 206 CE2 TYR A 27 23.581 14.838 18.082 1.00 7.81 C ATOM 207 CE1 TYR A 27 23.089 12.525 18.464 1.00 7.64 C ATOM 208 CZ TYR A 27 23.646 13.515 17.680 1.00 7.26 C ATOM 209 OH TYR A 27 24.288 13.204 16.499 1.00 8.15 O ATOM 210 N THR A 28 24.794 14.171 22.377 1.00 6.71 N ATOM 211 CA THR A 28 26.147 14.710 22.377 1.00 7.33 C ATOM 212 C THR A 28 26.949 14.191 21.181 1.00 6.96 C ATOM 213 O THR A 28 27.005 12.994 20.932 1.00 8.09 O ATOM 214 CB THR A 28 26.880 14.298 23.672 1.00 10.17 C ATOM 215 OG1 THR A 28 26.922 12.869 23.764 1.00 11.07 O ATOM 216 CG2 THR A 28 26.208 14.881 24.899 1.00 12.13 C ATOM 217 N ASN A 29 27.579 15.096 20.440 1.00 7.19 N ATOM 218 CA ASN A 29 28.550 14.706 19.431 1.00 7.57 C ATOM 219 C ASN A 29 29.906 14.486 20.073 1.00 7.97 C ATOM 220 O ASN A 29 30.357 15.285 20.887 1.00 10.50 O ATOM 221 CB ASN A 29 28.676 15.779 18.358 1.00 7.85 C ATOM 222 CG ASN A 29 27.454 15.855 17.469 1.00 8.76 C ATOM 223 OD1 ASN A 29 26.705 14.890 17.350 1.00 9.01 O ATOM 224 ND2 ASN A 29 27.252 17.001 16.829 1.00 10.27 N ATOM 225 N GLY A 30 30.561 13.405 19.679 1.00 7.19 N ATOM 226 CA GLY A 30 31.906 13.105 20.102 1.00 7.46 C ATOM 227 C GLY A 30 32.895 13.225 18.961 1.00 8.13 C ATOM 228 O GLY A 30 32.580 13.709 17.867 1.00 8.53 O ATOM 229 N PRO A 31 34.123 12.786 19.212 1.00 8.78 N ATOM 230 CA PRO A 31 35.159 12.825 18.186 1.00 9.31 C ATOM 231 C PRO A 31 34.810 11.908 17.016 1.00 8.51 C ATOM 232 O PRO A 31 34.071 10.934 17.155 1.00 9.39 O ATOM 233 CB PRO A 31 36.392 12.301 18.915 1.00 11.49 C ATOM 234 CG PRO A 31 36.165 12.664 20.323 1.00 13.14 C ATOM 235 CD PRO A 31 34.703 12.439 20.572 1.00 10.13 C ATOM 236 N GLY A 32 35.337 12.233 15.846 1.00 8.80 N ATOM 237 CA GLY A 32 35.157 11.384 14.688 1.00 9.08 C ATOM 238 C GLY A 32 33.688 11.135 14.392 1.00 7.51 C ATOM 239 O GLY A 32 32.887 12.075 14.346 1.00 7.67 O ATOM 240 N GLY A 33 33.339 9.872 14.163 1.00 7.67 N ATOM 241 CA GLY A 33 31.969 9.509 13.862 1.00 6.71 C ATOM 242 C GLY A 33 31.134 9.151 15.082 1.00 6.18 C ATOM 243 O GLY A 33 30.106 8.502 14.942 1.00 6.44 O ATOM 244 N GLN A 34 31.543 9.586 16.275 1.00 5.99 N ATOM 245 CA GLN A 34 30.890 9.161 17.509 1.00 6.20 C ATOM 246 C GLN A 34 29.798 10.119 17.947 1.00 5.48 C ATOM 247 O GLN A 34 29.938 11.331 17.837 1.00 5.99 O ATOM 248 CB GLN A 34 31.923 9.021 18.623 1.00 6.53 C ATOM 249 CG GLN A 34 31.366 8.439 19.928 1.00 8.20 C ATOM 250 CD GLN A 34 32.398 8.139 20.982 1.00 8.35 C ATOM 251 OE1 GLN A 34 33.601 8.261 20.778 1.00 9.19 O ATOM 252 NE2 GLN A 34 31.917 7.779 22.154 1.00 11.82 N ATOM 253 N PHE A 35 28.716 9.562 18.479 1.00 5.55 N ATOM 254 CA PHE A 35 27.708 10.344 19.172 1.00 5.72 C ATOM 255 C PHE A 35 27.139 9.501 20.292 1.00 5.40 C ATOM 256 O PHE A 35 27.270 8.284 20.304 1.00 6.00 O ATOM 257 CB PHE A 35 26.588 10.798 18.220 1.00 6.23 C ATOM 258 CG PHE A 35 25.864 9.669 17.540 1.00 6.26 C ATOM 259 CD1 PHE A 35 24.761 9.062 18.134 1.00 6.45 C ATOM 260 CD2 PHE A 35 26.273 9.215 16.309 1.00 6.51 C ATOM 261 CE1 PHE A 35 24.093 8.035 17.504 1.00 7.08 C ATOM 262 CE2 PHE A 35 25.596 8.192 15.680 1.00 6.76 C ATOM 263 CZ PHE A 35 24.509 7.590 16.281 1.00 6.66 C ATOM 264 N SER A 36 26.499 10.154 21.243 1.00 6.16 N ATOM 265 CA SER A 36 25.829 9.425 22.296 1.00 6.28 C ATOM 266 C SER A 36 24.521 10.093 22.648 1.00 5.97 C ATOM 267 O SER A 36 24.312 11.278 22.378 1.00 6.48 O ATOM 268 CB SER A 36 26.718 9.255 23.531 1.00 7.35 C ATOM 269 OG SER A 36 26.052 8.584 24.576 1.00 9.34 O ATOM 270 N VAL A 37 23.614 9.309 23.204 1.00 5.93 N ATOM 271 CA VAL A 37 22.326 9.824 23.630 1.00 6.47 C ATOM 272 C VAL A 37 21.984 9.181 24.967 1.00 6.48 C ATOM 273 O VAL A 37 22.221 8.002 25.187 1.00 8.30 O ATOM 274 CB VAL A 37 21.188 9.488 22.629 1.00 9.50 C ATOM 275 CG1 VAL A 37 21.438 10.165 21.302 1.00 10.95 C ATOM 276 CG2 VAL A 37 21.011 7.995 22.455 1.00 12.10 C ATOM 277 N ASN A 38 21.396 9.969 25.853 1.00 6.51 N ATOM 278 CA ASN A 38 20.906 9.466 27.125 1.00 7.39 C ATOM 279 C ASN A 38 19.547 10.071 27.363 1.00 6.94 C ATOM 280 O ASN A 38 19.395 11.286 27.306 1.00 7.87 O ATOM 281 CB ASN A 38 21.876 9.813 28.247 1.00 9.05 C ATOM 282 CG ASN A 38 23.148 9.012 28.161 1.00 10.90 C ATOM 283 OD1 ASN A 38 23.166 7.938 27.564 1.00 10.93 O ATOM 284 ND2 ASN A 38 24.227 9.541 28.729 1.00 12.47 N ATOM 285 N TRP A 39 18.555 9.226 27.611 1.00 6.38 N ATOM 286 CA TRP A 39 17.191 9.712 27.694 1.00 7.13 C ATOM 287 C TRP A 39 16.456 9.075 28.853 1.00 7.20 C ATOM 288 O TRP A 39 16.706 7.932 29.223 1.00 7.29 O ATOM 289 CB TRP A 39 16.460 9.555 26.354 1.00 7.41 C ATOM 290 CG TRP A 39 16.302 8.184 25.763 1.00 7.41 C ATOM 291 CD1 TRP A 39 15.241 7.362 25.961 1.00 7.80 C ATOM 292 CD2 TRP A 39 17.154 7.511 24.817 1.00 7.39 C ATOM 293 NE1 TRP A 39 15.367 6.218 25.210 1.00 8.62 N ATOM 294 CE2 TRP A 39 16.533 6.284 24.500 1.00 8.20 C ATOM 295 CE3 TRP A 39 18.363 7.830 24.188 1.00 7.09 C ATOM 296 CZ2 TRP A 39 17.087 5.366 23.600 1.00 9.04 C ATOM 297 CZ3 TRP A 39 18.906 6.919 23.287 1.00 7.82 C ATOM 298 CH2 TRP A 39 18.267 5.708 23.005 1.00 8.40 C ATOM 299 N SER A 40 15.557 9.853 29.435 1.00 8.36 N ATOM 300 CA SER A 40 14.797 9.429 30.600 1.00 9.41 C ATOM 301 C SER A 40 13.407 10.004 30.472 1.00 10.58 C ATOM 302 O SER A 40 13.241 11.215 30.510 1.00 11.66 O ATOM 303 CB SER A 40 15.446 9.968 31.874 1.00 10.74 C ATOM 304 OG SER A 40 14.709 9.615 33.031 1.00 13.53 O ATOM 305 N ASN A 41 12.411 9.142 30.316 1.00 10.65 N ATOM 306 CA ASN A 41 11.036 9.596 30.104 1.00 12.63 C ATOM 307 C ASN A 41 10.968 10.641 28.996 1.00 12.08 C ATOM 308 O ASN A 41 10.466 11.751 29.197 1.00 13.25 O ATOM 309 CB ASN A 41 10.443 10.173 31.400 1.00 15.75 C ATOM 310 CG ASN A 41 10.158 9.112 32.446 1.00 19.50 C ATOM 311 OD1 ASN A 41 9.186 8.368 32.352 1.00 20.32 O ATOM 312 ND2 ASN A 41 10.990 9.073 33.470 1.00 21.75 N ATOM 313 N SER A 42 11.468 10.270 27.823 1.00 10.26 N ATOM 314 CA SER A 42 11.490 11.164 26.672 1.00 9.95 C ATOM 315 C SER A 42 10.119 11.290 26.018 1.00 8.99 C ATOM 316 O SER A 42 9.166 10.649 26.431 1.00 9.97 O ATOM 317 CB SER A 42 12.463 10.613 25.629 1.00 9.85 C ATOM 318 OG SER A 42 12.477 11.436 24.469 1.00 10.52 O ATOM 319 N GLY A 43 10.047 12.107 24.969 1.00 8.61 N ATOM 320 CA GLY A 43 9.016 11.956 23.957 1.00 8.02 C ATOM 321 C GLY A 43 9.598 11.167 22.796 1.00 7.92 C ATOM 322 O GLY A 43 10.341 10.205 23.001 1.00 8.74 O ATOM 323 N ASN A 44 9.275 11.586 21.578 1.00 7.99 N ATOM 324 CA ASN A 44 9.878 11.013 20.371 1.00 7.59 C ATOM 325 C ASN A 44 11.111 11.823 20.006 1.00 7.50 C ATOM 326 O ASN A 44 11.063 13.051 20.003 1.00 8.25 O ATOM 327 CB ASN A 44 8.872 11.054 19.219 1.00 7.91 C ATOM 328 CG ASN A 44 9.374 10.346 17.975 1.00 7.99 C ATOM 329 OD1 ASN A 44 10.574 10.130 17.796 1.00 9.20 O ATOM 330 ND2 ASN A 44 8.450 9.961 17.108 1.00 9.48 N ATOM 331 N PHE A 45 12.216 11.138 19.719 1.00 6.72 N ATOM 332 CA PHE A 45 13.426 11.797 19.233 1.00 6.79 C ATOM 333 C PHE A 45 14.179 10.852 18.317 1.00 6.27 C ATOM 334 O PHE A 45 14.046 9.629 18.416 1.00 6.28 O ATOM 335 CB PHE A 45 14.354 12.214 20.392 1.00 6.75 C ATOM 336 CG PHE A 45 14.799 11.067 21.249 1.00 7.62 C ATOM 337 CD2 PHE A 45 14.063 10.671 22.357 1.00 8.68 C ATOM 338 CD1 PHE A 45 15.940 10.342 20.921 1.00 8.00 C ATOM 339 CE2 PHE A 45 14.483 9.587 23.120 1.00 10.07 C ATOM 340 CE1 PHE A 45 16.346 9.266 21.675 1.00 9.72 C ATOM 341 CZ PHE A 45 15.622 8.889 22.773 1.00 10.79 C ATOM 342 N VAL A 46 14.974 11.446 17.432 1.00 6.10 N ATOM 343 CA VAL A 46 15.860 10.723 16.528 1.00 5.95 C ATOM 344 C VAL A 46 17.163 11.484 16.411 1.00 6.09 C ATOM 345 O VAL A 46 17.151 12.657 16.038 1.00 6.95 O ATOM 346 CB VAL A 46 15.253 10.633 15.107 1.00 7.59 C ATOM 347 CG1 VAL A 46 15.092 12.021 14.499 1.00 7.65 C ATOM 348 CG2 VAL A 46 16.109 9.746 14.207 1.00 7.77 C ATOM 349 N GLY A 47 18.292 10.837 16.699 1.00 5.73 N ATOM 350 CA GLY A 47 19.574 11.500 16.512 1.00 6.01 C ATOM 351 C GLY A 47 20.669 10.553 16.075 1.00 5.07 C ATOM 352 O GLY A 47 20.684 9.382 16.447 1.00 5.52 O ATOM 353 N GLY A 48 21.617 11.080 15.305 1.00 5.08 N ATOM 354 CA GLY A 48 22.804 10.339 14.952 1.00 4.99 C ATOM 355 C GLY A 48 23.641 11.013 13.895 1.00 4.63 C ATOM 356 O GLY A 48 23.366 12.142 13.477 1.00 6.03 O ATOM 357 N LYS A 49 24.665 10.284 13.453 1.00 4.79 N ATOM 358 CA LYS A 49 25.694 10.780 12.542 1.00 4.91 C ATOM 359 C LYS A 49 25.729 9.978 11.251 1.00 4.60 C ATOM 360 O LYS A 49 25.400 8.797 11.208 1.00 5.08 O ATOM 361 CB LYS A 49 27.085 10.717 13.181 1.00 5.12 C ATOM 362 CG LYS A 49 27.270 11.665 14.353 1.00 5.80 C ATOM 363 CD LYS A 49 28.644 11.477 15.001 1.00 6.11 C ATOM 364 CE LYS A 49 28.845 12.424 16.143 1.00 7.11 C ATOM 365 NZ LYS A 49 30.140 12.222 16.840 1.00 7.28 N ATOM 366 N GLY A 50 26.185 10.636 10.199 1.00 4.77 N ATOM 367 CA GLY A 50 26.365 9.988 8.917 1.00 4.63 C ATOM 368 C GLY A 50 26.704 10.990 7.836 1.00 4.40 C ATOM 369 O GLY A 50 27.732 11.669 7.896 1.00 4.87 O TER END s$r CRYST1 41.392 28.519 38.664 90.00 90.00 90.00 P 1 ATOM 1 N THR A 2 27.280 18.467 23.988 1.00 25.52 N ATOM 2 CA THR A 2 25.825 18.329 24.034 1.00 24.98 C ATOM 3 C THR A 2 25.162 19.532 23.362 1.00 25.01 C ATOM 4 O THR A 2 25.590 20.671 23.562 1.00 26.12 O ATOM 5 CB THR A 2 25.319 18.211 25.487 1.00 24.01 C ATOM 6 OG1 THR A 2 25.708 19.376 26.229 1.00 22.28 O ATOM 7 CG2 THR A 2 25.890 16.957 26.157 1.00 24.55 C ATOM 8 N ILE A 3 24.114 19.277 22.580 1.00 23.49 N ATOM 9 CA ILE A 3 23.513 20.315 21.737 1.00 22.04 C ATOM 10 C ILE A 3 21.987 20.292 21.685 1.00 19.94 C ATOM 11 O ILE A 3 21.355 19.303 22.052 1.00 19.14 O ATOM 12 CB ILE A 3 24.019 20.209 20.292 1.00 23.36 C ATOM 13 CG1 ILE A 3 25.545 20.300 20.248 1.00 23.11 C ATOM 14 CG2 ILE A 3 23.391 21.298 19.430 1.00 24.03 C ATOM 15 CD1 ILE A 3 26.092 21.579 20.826 1.00 23.70 C ATOM 16 N GLN A 4 21.410 21.397 21.215 1.00 19.34 N ATOM 17 CA GLN A 4 19.973 21.492 20.988 1.00 19.59 C ATOM 18 C GLN A 4 19.616 20.884 19.636 1.00 16.28 C ATOM 19 O GLN A 4 20.492 20.676 18.795 1.00 16.31 O ATOM 20 CB GLN A 4 19.522 22.952 21.035 1.00 23.23 C ATOM 21 CG GLN A 4 19.996 23.788 19.854 1.00 27.23 C ATOM 22 CD GLN A 4 21.465 24.133 19.961 1.00 30.62 C ATOM 23 OE1 GLN A 4 22.137 23.750 20.915 1.00 32.12 O ATOM 24 NE2 GLN A 4 21.972 24.870 18.977 1.00 32.28 N ATOM 25 N PRO A 5 18.329 20.582 19.422 1.00 14.64 N ATOM 26 CA PRO A 5 17.943 19.990 18.136 1.00 12.90 C ATOM 27 C PRO A 5 18.362 20.849 16.954 1.00 11.81 C ATOM 28 O PRO A 5 18.266 22.074 16.971 1.00 13.24 O ATOM 29 CB PRO A 5 16.420 19.907 18.238 1.00 13.99 C ATOM 30 CG PRO A 5 16.060 21.025 19.164 1.00 15.36 C ATOM 31 CD PRO A 5 17.176 21.079 20.179 1.00 15.61 C ATOM 32 N GLY A 6 18.849 20.171 15.929 1.00 10.60 N ATOM 33 CA GLY A 6 19.285 20.807 14.707 1.00 10.46 C ATOM 34 C GLY A 6 20.101 19.824 13.900 1.00 9.44 C ATOM 35 O GLY A 6 20.215 18.648 14.246 1.00 10.15 O ATOM 36 N THR A 7 20.644 20.318 12.800 1.00 9.01 N ATOM 37 CA THR A 7 21.533 19.549 11.955 1.00 8.10 C ATOM 38 C THR A 7 22.811 20.330 11.743 1.00 7.41 C ATOM 39 O THR A 7 22.867 21.550 11.955 1.00 9.47 O ATOM 40 CB THR A 7 20.896 19.219 10.586 1.00 9.45 C ATOM 41 OG1 THR A 7 19.716 18.436 10.788 1.00 11.96 O ATOM 42 CG2 THR A 7 21.865 18.476 9.679 1.00 10.01 C ATOM 43 N GLY A 8 23.834 19.611 11.314 1.00 6.97 N ATOM 44 CA GLY A 8 25.103 20.237 11.019 1.00 7.38 C ATOM 45 C GLY A 8 26.149 19.206 10.692 1.00 6.50 C ATOM 46 O GLY A 8 25.836 18.074 10.315 1.00 6.23 O ATOM 47 N TYR A 9 27.403 19.618 10.834 1.00 6.94 N ATOM 48 CA TYR A 9 28.542 18.785 10.500 1.00 7.32 C ATOM 49 C TYR A 9 29.512 18.830 11.670 1.00 8.00 C ATOM 50 O TYR A 9 29.731 19.881 12.276 1.00 9.95 O ATOM 51 CB TYR A 9 29.197 19.262 9.192 1.00 8.02 C ATOM 52 CG TYR A 9 29.741 20.659 9.346 1.00 8.02 C ATOM 53 CD1 TYR A 9 31.031 20.866 9.798 1.00 8.16 C ATOM 54 CD2 TYR A 9 28.993 21.763 8.969 1.00 8.88 C ATOM 55 CE1 TYR A 9 31.558 22.129 9.896 1.00 8.74 C ATOM 56 CE2 TYR A 9 29.515 23.044 9.060 1.00 9.46 C ATOM 57 CZ TYR A 9 30.803 23.217 9.527 1.00 9.31 C ATOM 58 OH TYR A 9 31.369 24.472 9.631 1.00 11.26 O ATOM 59 N ASN A 10 30.058 17.677 12.017 1.00 7.07 N ATOM 60 CA ASN A 10 30.934 17.543 13.166 1.00 6.83 C ATOM 61 C ASN A 10 31.979 16.487 12.843 1.00 6.42 C ATOM 62 O ASN A 10 31.641 15.329 12.569 1.00 6.41 O ATOM 63 CB ASN A 10 30.118 17.134 14.388 1.00 7.59 C ATOM 64 CG ASN A 10 29.239 18.250 14.894 1.00 8.66 C ATOM 65 OD1 ASN A 10 29.490 19.419 14.653 1.00 8.74 O ATOM 66 ND2 ASN A 10 28.181 17.886 15.578 1.00 11.51 N ATOM 67 N ASN A 11 33.238 16.901 12.822 1.00 6.66 N ATOM 68 CA ASN A 11 34.355 15.982 12.664 1.00 6.96 C ATOM 69 C ASN A 11 34.266 15.106 11.409 1.00 6.71 C ATOM 70 O ASN A 11 34.658 13.939 11.407 1.00 8.07 O ATOM 71 CB ASN A 11 34.529 15.144 13.924 1.00 8.10 C ATOM 72 CG ASN A 11 33.332 14.259 14.169 1.00 9.37 C ATOM 73 OD1 ASN A 11 32.701 13.775 13.227 1.00 11.21 O ATOM 74 ND2 ASN A 11 33.007 14.030 15.429 1.00 9.99 N ATOM 75 N GLY A 12 33.753 15.694 10.328 1.00 6.35 N ATOM 76 CA GLY A 12 33.683 15.024 9.044 1.00 6.73 C ATOM 77 C GLY A 12 32.376 14.341 8.734 1.00 5.70 C ATOM 78 O GLY A 12 32.231 13.795 7.640 1.00 6.08 O ATOM 79 N TYR A 13 31.440 14.378 9.684 1.00 5.21 N ATOM 80 CA TYR A 13 30.167 13.671 9.569 1.00 5.30 C ATOM 81 C TYR A 13 29.004 14.645 9.686 1.00 4.97 C ATOM 82 O TYR A 13 29.007 15.562 10.512 1.00 6.00 O ATOM 83 CB TYR A 13 30.049 12.547 10.621 1.00 5.59 C ATOM 84 CG TYR A 13 30.067 13.125 12.000 1.00 5.45 C ATOM 85 CD2 TYR A 13 31.240 13.199 12.731 1.00 5.92 C ATOM 86 CD1 TYR A 13 28.891 13.515 12.612 1.00 6.85 C ATOM 87 CE2 TYR A 13 31.240 13.682 14.034 1.00 5.98 C ATOM 88 CE1 TYR A 13 28.876 13.981 13.903 1.00 7.87 C ATOM 89 CZ TYR A 13 30.047 14.058 14.620 1.00 7.14 C ATOM 90 OH TYR A 13 30.035 14.522 15.924 1.00 8.20 O ATOM 91 N PHE A 14 27.979 14.438 8.868 1.00 4.83 N ATOM 92 CA PHE A 14 26.700 15.079 9.110 1.00 5.08 C ATOM 93 C PHE A 14 26.112 14.552 10.416 1.00 4.96 C ATOM 94 O PHE A 14 26.328 13.388 10.775 1.00 5.24 O ATOM 95 CB PHE A 14 25.751 14.737 7.965 1.00 5.06 C ATOM 96 CG PHE A 14 26.177 15.267 6.620 1.00 5.27 C ATOM 97 CD1 PHE A 14 27.095 16.301 6.520 1.00 5.95 C ATOM 98 CD2 PHE A 14 25.714 14.691 5.455 1.00 5.78 C ATOM 99 CE1 PHE A 14 27.496 16.771 5.292 1.00 7.34 C ATOM 100 CE2 PHE A 14 26.124 15.171 4.229 1.00 6.74 C ATOM 101 CZ PHE A 14 27.021 16.198 4.154 1.00 7.06 C ATOM 102 N TYR A 15 25.355 15.387 11.115 1.00 4.82 N ATOM 103 CA TYR A 15 24.515 14.893 12.199 1.00 5.27 C ATOM 104 C TYR A 15 23.145 15.524 12.111 1.00 5.29 C ATOM 105 O TYR A 15 22.981 16.636 11.630 1.00 5.41 O ATOM 106 CB TYR A 15 25.122 15.143 13.595 1.00 5.97 C ATOM 107 CG TYR A 15 26.410 14.416 13.842 1.00 7.44 C ATOM 108 CD1 TYR A 15 26.572 13.101 13.434 1.00 9.49 C ATOM 109 CD2 TYR A 15 27.457 15.026 14.520 1.00 8.61 C ATOM 110 CE1 TYR A 15 27.745 12.421 13.686 1.00 11.31 C ATOM 111 CE2 TYR A 15 28.630 14.352 14.766 1.00 11.04 C ATOM 112 CZ TYR A 15 28.761 13.051 14.363 1.00 12.81 C ATOM 113 OH TYR A 15 29.932 12.368 14.607 1.00 17.06 O ATOM 114 N SER A 16 22.156 14.783 12.593 1.00 5.50 N ATOM 115 CA SER A 16 20.819 15.299 12.823 1.00 6.09 C ATOM 116 C SER A 16 20.388 14.893 14.217 1.00 5.92 C ATOM 117 O SER A 16 20.514 13.732 14.581 1.00 6.88 O ATOM 118 CB SER A 16 19.833 14.736 11.797 1.00 6.80 C ATOM 119 OG SER A 16 20.153 15.183 10.492 1.00 7.26 O ATOM 120 N TYR A 17 19.890 15.852 14.985 1.00 6.06 N ATOM 121 CA TYR A 17 19.249 15.573 16.258 1.00 6.56 C ATOM 122 C TYR A 17 17.904 16.282 16.247 1.00 7.16 C ATOM 123 O TYR A 17 17.845 17.499 16.124 1.00 7.41 O ATOM 124 CB TYR A 17 20.115 16.050 17.418 1.00 7.32 C ATOM 125 CG TYR A 17 21.434 15.323 17.519 1.00 7.15 C ATOM 126 CD1 TYR A 17 21.511 13.953 17.334 1.00 7.80 C ATOM 127 CD2 TYR A 17 22.600 16.014 17.804 1.00 9.03 C ATOM 128 CE1 TYR A 17 22.717 13.280 17.452 1.00 8.31 C ATOM 129 CE2 TYR A 17 23.811 15.363 17.912 1.00 9.86 C ATOM 130 CZ TYR A 17 23.861 13.998 17.742 1.00 9.41 C ATOM 131 OH TYR A 17 25.069 13.348 17.866 1.00 11.39 O ATOM 132 N TRP A 18 16.832 15.508 16.319 1.00 6.46 N ATOM 133 CA TRP A 18 15.481 16.040 16.313 1.00 6.89 C ATOM 134 C TRP A 18 14.734 15.494 17.511 1.00 6.78 C ATOM 135 O TRP A 18 14.889 14.328 17.866 1.00 7.19 O ATOM 136 CB TRP A 18 14.741 15.644 15.020 1.00 8.12 C ATOM 137 CG TRP A 18 15.266 16.336 13.811 1.00 8.57 C ATOM 138 CD1 TRP A 18 14.890 17.557 13.327 1.00 10.00 C ATOM 139 CD2 TRP A 18 16.229 15.820 12.891 1.00 9.02 C ATOM 140 NE1 TRP A 18 15.569 17.833 12.163 1.00 10.46 N ATOM 141 CE2 TRP A 18 16.410 16.790 11.883 1.00 9.80 C ATOM 142 CE3 TRP A 18 16.978 14.643 12.837 1.00 10.18 C ATOM 143 CZ2 TRP A 18 17.305 16.607 10.830 1.00 11.34 C ATOM 144 CZ3 TRP A 18 17.864 14.471 11.794 1.00 11.54 C ATOM 145 CH2 TRP A 18 18.011 15.441 10.806 1.00 11.78 C ATOM 146 N ASN A 19 13.922 16.326 18.141 1.00 7.95 N ATOM 147 CA ASN A 19 12.948 15.797 19.080 1.00 9.14 C ATOM 148 C ASN A 19 11.633 16.532 18.930 1.00 10.16 C ATOM 149 O ASN A 19 11.548 17.545 18.242 1.00 10.43 O ATOM 150 CB ASN A 19 13.458 15.758 20.529 1.00 10.30 C ATOM 151 CG ASN A 19 14.513 14.715 20.767 1.00 11.25 C ATOM 152 OD1 ASN A 19 14.610 13.731 20.028 1.00 12.53 O ATOM 153 ND2 ASN A 19 15.356 14.951 21.768 1.00 12.51 N ATOM 154 N ASP A 20 10.597 15.974 19.539 1.00 10.11 N ATOM 155 CA ASP A 20 9.240 16.497 19.423 1.00 11.31 C ATOM 156 C ASP A 20 8.933 17.646 20.375 1.00 12.01 C ATOM 157 O ASP A 20 7.786 18.058 20.496 1.00 14.14 O ATOM 158 CB ASP A 20 8.223 15.371 19.636 1.00 10.66 C ATOM 159 CG ASP A 20 6.780 15.833 19.506 1.00 10.16 C ATOM 160 OD1 ASP A 20 6.365 16.244 18.407 1.00 10.78 O ATOM 161 OD2 ASP A 20 6.079 15.799 20.543 1.00 11.09 O ATOM 162 N GLY A 21 9.946 18.149 21.065 1.00 11.60 N ATOM 163 CA GLY A 21 9.747 19.259 21.981 1.00 12.64 C ATOM 164 C GLY A 21 9.649 18.844 23.437 1.00 12.44 C ATOM 165 O GLY A 21 9.740 19.667 24.341 1.00 14.16 O ATOM 166 N HIS A 22 9.419 17.557 23.676 1.00 12.02 N ATOM 167 CA HIS A 22 9.373 17.043 25.038 1.00 12.10 C ATOM 168 C HIS A 22 10.801 16.886 25.550 1.00 13.48 C ATOM 169 O HIS A 22 11.726 16.581 24.794 1.00 14.49 O ATOM 170 CB HIS A 22 8.620 15.709 25.111 1.00 12.02 C ATOM 171 CG HIS A 22 9.229 14.622 24.278 1.00 12.68 C ATOM 172 ND1 HIS A 22 9.118 14.572 22.904 1.00 12.82 N ATOM 173 CD2 HIS A 22 9.963 13.543 24.637 1.00 13.39 C ATOM 174 CE1 HIS A 22 9.757 13.504 22.455 1.00 13.29 C ATOM 175 NE2 HIS A 22 10.279 12.864 23.485 1.00 13.85 N ATOM 176 N GLY A 23 10.970 17.124 26.840 1.00 13.72 N ATOM 177 CA GLY A 23 12.264 17.038 27.476 1.00 12.76 C ATOM 178 C GLY A 23 12.675 15.600 27.730 1.00 11.56 C ATOM 179 O GLY A 23 12.004 14.657 27.311 1.00 12.14 O ATOM 180 N GLY A 24 13.806 15.440 28.399 1.00 11.33 N ATOM 181 CA GLY A 24 14.274 14.143 28.826 1.00 10.36 C ATOM 182 C GLY A 24 15.309 13.506 27.923 1.00 10.32 C ATOM 183 O GLY A 24 15.620 12.342 28.104 1.00 11.84 O ATOM 184 N VAL A 25 15.847 14.247 26.959 1.00 8.47 N ATOM 185 CA VAL A 25 16.851 13.696 26.049 1.00 8.48 C ATOM 186 C VAL A 25 18.100 14.565 26.031 1.00 7.64 C ATOM 187 O VAL A 25 18.012 15.799 25.979 1.00 9.12 O ATOM 188 CB VAL A 25 16.315 13.636 24.597 1.00 10.00 C ATOM 189 CG1 VAL A 25 16.005 15.031 24.051 1.00 9.60 C ATOM 190 CG2 VAL A 25 17.283 12.933 23.695 1.00 10.93 C ATOM 191 N THR A 26 19.256 13.918 26.063 1.00 7.15 N ATOM 192 CA THR A 26 20.535 14.594 25.916 1.00 7.84 C ATOM 193 C THR A 26 21.275 13.922 24.769 1.00 7.19 C ATOM 194 O THR A 26 21.496 12.714 24.799 1.00 9.02 O ATOM 195 CB THR A 26 21.378 14.462 27.203 1.00 10.22 C ATOM 196 OG1 THR A 26 21.599 13.079 27.491 1.00 11.90 O ATOM 197 CG2 THR A 26 20.674 15.111 28.370 1.00 11.98 C ATOM 198 N TYR A 27 21.633 14.705 23.753 1.00 6.81 N ATOM 199 CA TYR A 27 22.382 14.238 22.595 1.00 6.48 C ATOM 200 C TYR A 27 23.729 14.940 22.578 1.00 6.71 C ATOM 201 O TYR A 27 23.796 16.155 22.735 1.00 8.30 O ATOM 202 CB TYR A 27 21.588 14.559 21.306 1.00 7.26 C ATOM 203 CG TYR A 27 20.270 13.819 21.235 1.00 7.37 C ATOM 204 CD2 TYR A 27 19.107 14.466 20.840 1.00 7.26 C ATOM 205 CD1 TYR A 27 20.177 12.488 21.609 1.00 7.86 C ATOM 206 CE2 TYR A 27 17.895 13.806 20.816 1.00 7.81 C ATOM 207 CE1 TYR A 27 18.973 11.811 21.587 1.00 7.64 C ATOM 208 CZ TYR A 27 17.827 12.480 21.208 1.00 7.26 C ATOM 209 OH TYR A 27 16.606 11.839 21.195 1.00 8.15 O ATOM 210 N THR A 28 24.794 14.171 22.377 1.00 6.71 N ATOM 211 CA THR A 28 26.147 14.710 22.377 1.00 7.33 C ATOM 212 C THR A 28 26.949 14.191 21.181 1.00 6.96 C ATOM 213 O THR A 28 27.005 12.994 20.932 1.00 8.09 O ATOM 214 CB THR A 28 26.880 14.298 23.672 1.00 10.17 C ATOM 215 OG1 THR A 28 28.125 15.000 23.761 1.00 11.07 O ATOM 216 CG2 THR A 28 27.119 12.802 23.722 1.00 12.13 C ATOM 217 N ASN A 29 27.579 15.096 20.440 1.00 7.19 N ATOM 218 CA ASN A 29 28.550 14.706 19.431 1.00 7.57 C ATOM 219 C ASN A 29 29.906 14.486 20.073 1.00 7.97 C ATOM 220 O ASN A 29 30.357 15.285 20.887 1.00 10.50 O ATOM 221 CB ASN A 29 28.676 15.779 18.358 1.00 7.85 C ATOM 222 CG ASN A 29 29.217 17.082 18.903 1.00 8.76 C ATOM 223 OD1 ASN A 29 30.042 17.087 19.812 1.00 9.01 O ATOM 224 ND2 ASN A 29 28.745 18.198 18.360 1.00 10.27 N ATOM 225 N GLY A 30 30.561 13.405 19.679 1.00 7.19 N ATOM 226 CA GLY A 30 31.906 13.105 20.102 1.00 7.46 C ATOM 227 C GLY A 30 32.895 13.225 18.961 1.00 8.13 C ATOM 228 O GLY A 30 32.580 13.709 17.867 1.00 8.53 O ATOM 229 N PRO A 31 34.123 12.786 19.212 1.00 8.78 N ATOM 230 CA PRO A 31 35.159 12.825 18.186 1.00 9.31 C ATOM 231 C PRO A 31 34.810 11.908 17.016 1.00 8.51 C ATOM 232 O PRO A 31 34.071 10.934 17.155 1.00 9.39 O ATOM 233 CB PRO A 31 36.392 12.301 18.915 1.00 11.49 C ATOM 234 CG PRO A 31 36.165 12.664 20.323 1.00 13.14 C ATOM 235 CD PRO A 31 34.703 12.439 20.572 1.00 10.13 C ATOM 236 N GLY A 32 35.337 12.233 15.846 1.00 8.80 N ATOM 237 CA GLY A 32 35.157 11.384 14.688 1.00 9.08 C ATOM 238 C GLY A 32 33.688 11.135 14.392 1.00 7.51 C ATOM 239 O GLY A 32 32.887 12.075 14.346 1.00 7.67 O ATOM 240 N GLY A 33 33.339 9.872 14.163 1.00 7.67 N ATOM 241 CA GLY A 33 31.969 9.509 13.862 1.00 6.71 C ATOM 242 C GLY A 33 31.134 9.151 15.082 1.00 6.18 C ATOM 243 O GLY A 33 30.106 8.502 14.942 1.00 6.44 O ATOM 244 N GLN A 34 31.543 9.586 16.275 1.00 5.99 N ATOM 245 CA GLN A 34 30.890 9.161 17.509 1.00 6.20 C ATOM 246 C GLN A 34 29.798 10.119 17.947 1.00 5.48 C ATOM 247 O GLN A 34 29.938 11.331 17.837 1.00 5.99 O ATOM 248 CB GLN A 34 31.923 9.021 18.623 1.00 6.53 C ATOM 249 CG GLN A 34 32.957 7.914 18.386 1.00 8.20 C ATOM 250 CD GLN A 34 34.141 8.318 17.548 1.00 8.35 C ATOM 251 OE1 GLN A 34 34.266 9.449 17.090 1.00 9.19 O ATOM 252 NE2 GLN A 34 35.055 7.386 17.378 1.00 11.82 N ATOM 253 N PHE A 35 28.716 9.562 18.479 1.00 5.55 N ATOM 254 CA PHE A 35 27.708 10.344 19.172 1.00 5.72 C ATOM 255 C PHE A 35 27.139 9.501 20.292 1.00 5.40 C ATOM 256 O PHE A 35 27.270 8.284 20.304 1.00 6.00 O ATOM 257 CB PHE A 35 26.588 10.798 18.220 1.00 6.23 C ATOM 258 CG PHE A 35 27.045 11.733 17.134 1.00 6.26 C ATOM 259 CD1 PHE A 35 27.177 13.098 17.371 1.00 6.45 C ATOM 260 CD2 PHE A 35 27.350 11.256 15.882 1.00 6.51 C ATOM 261 CE1 PHE A 35 27.606 13.951 16.378 1.00 7.08 C ATOM 262 CE2 PHE A 35 27.786 12.113 14.893 1.00 6.76 C ATOM 263 CZ PHE A 35 27.905 13.467 15.135 1.00 6.66 C ATOM 264 N SER A 36 26.499 10.154 21.243 1.00 6.16 N ATOM 265 CA SER A 36 25.829 9.425 22.296 1.00 6.28 C ATOM 266 C SER A 36 24.521 10.093 22.648 1.00 5.97 C ATOM 267 O SER A 36 24.312 11.278 22.378 1.00 6.48 O ATOM 268 CB SER A 36 26.718 9.255 23.531 1.00 7.35 C ATOM 269 OG SER A 36 27.847 8.455 23.266 1.00 9.34 O ATOM 270 N VAL A 37 23.614 9.309 23.204 1.00 5.93 N ATOM 271 CA VAL A 37 22.326 9.824 23.630 1.00 6.47 C ATOM 272 C VAL A 37 21.984 9.181 24.967 1.00 6.48 C ATOM 273 O VAL A 37 22.221 8.002 25.187 1.00 8.30 O ATOM 274 CB VAL A 37 21.188 9.488 22.629 1.00 9.50 C ATOM 275 CG1 VAL A 37 20.998 7.993 22.531 1.00 10.95 C ATOM 276 CG2 VAL A 37 19.893 10.180 22.993 1.00 12.10 C ATOM 277 N ASN A 38 21.396 9.969 25.853 1.00 6.51 N ATOM 278 CA ASN A 38 20.906 9.466 27.125 1.00 7.39 C ATOM 279 C ASN A 38 19.547 10.071 27.363 1.00 6.94 C ATOM 280 O ASN A 38 19.395 11.286 27.306 1.00 7.87 O ATOM 281 CB ASN A 38 21.876 9.813 28.247 1.00 9.05 C ATOM 282 CG ASN A 38 21.993 11.300 28.452 1.00 10.90 C ATOM 283 OD1 ASN A 38 21.019 12.030 28.277 1.00 10.93 O ATOM 284 ND2 ASN A 38 23.175 11.757 28.852 1.00 12.47 N ATOM 285 N TRP A 39 18.555 9.226 27.611 1.00 6.38 N ATOM 286 CA TRP A 39 17.191 9.712 27.694 1.00 7.13 C ATOM 287 C TRP A 39 16.456 9.075 28.853 1.00 7.20 C ATOM 288 O TRP A 39 16.706 7.932 29.223 1.00 7.29 O ATOM 289 CB TRP A 39 16.460 9.555 26.354 1.00 7.41 C ATOM 290 CG TRP A 39 15.018 9.962 26.255 1.00 7.41 C ATOM 291 CD1 TRP A 39 13.964 9.110 26.205 1.00 7.80 C ATOM 292 CD2 TRP A 39 14.456 11.288 26.291 1.00 7.39 C ATOM 293 NE1 TRP A 39 12.778 9.804 26.204 1.00 8.62 N ATOM 294 CE2 TRP A 39 13.052 11.143 26.254 1.00 8.20 C ATOM 295 CE3 TRP A 39 14.992 12.577 26.375 1.00 7.09 C ATOM 296 CZ2 TRP A 39 12.179 12.236 26.278 1.00 9.04 C ATOM 297 CZ3 TRP A 39 14.120 13.661 26.407 1.00 7.82 C ATOM 298 CH2 TRP A 39 12.735 13.480 26.360 1.00 8.40 C ATOM 299 N SER A 40 15.557 9.853 29.435 1.00 8.36 N ATOM 300 CA SER A 40 14.797 9.429 30.600 1.00 9.41 C ATOM 301 C SER A 40 13.407 10.004 30.472 1.00 10.58 C ATOM 302 O SER A 40 13.241 11.215 30.510 1.00 11.66 O ATOM 303 CB SER A 40 15.446 9.968 31.874 1.00 10.74 C ATOM 304 OG SER A 40 15.419 11.384 31.921 1.00 13.53 O ATOM 305 N ASN A 41 12.411 9.142 30.316 1.00 10.65 N ATOM 306 CA ASN A 41 11.036 9.596 30.104 1.00 12.63 C ATOM 307 C ASN A 41 10.968 10.641 28.996 1.00 12.08 C ATOM 308 O ASN A 41 10.466 11.751 29.197 1.00 13.25 O ATOM 309 CB ASN A 41 10.443 10.173 31.400 1.00 15.75 C ATOM 310 CG ASN A 41 11.164 11.419 31.879 1.00 19.50 C ATOM 311 OD1 ASN A 41 11.641 12.225 31.086 1.00 20.32 O ATOM 312 ND2 ASN A 41 11.277 11.553 33.187 1.00 21.75 N ATOM 313 N SER A 42 11.468 10.270 27.823 1.00 10.26 N ATOM 314 CA SER A 42 11.490 11.164 26.672 1.00 9.95 C ATOM 315 C SER A 42 10.119 11.290 26.018 1.00 8.99 C ATOM 316 O SER A 42 9.166 10.649 26.431 1.00 9.97 O ATOM 317 CB SER A 42 12.463 10.613 25.629 1.00 9.85 C ATOM 318 OG SER A 42 13.795 10.624 26.127 1.00 10.52 O ATOM 319 N GLY A 43 10.047 12.107 24.969 1.00 8.61 N ATOM 320 CA GLY A 43 9.016 11.956 23.957 1.00 8.02 C ATOM 321 C GLY A 43 9.598 11.167 22.796 1.00 7.92 C ATOM 322 O GLY A 43 10.341 10.205 23.001 1.00 8.74 O ATOM 323 N ASN A 44 9.275 11.586 21.578 1.00 7.99 N ATOM 324 CA ASN A 44 9.878 11.013 20.371 1.00 7.59 C ATOM 325 C ASN A 44 11.111 11.823 20.006 1.00 7.50 C ATOM 326 O ASN A 44 11.063 13.051 20.003 1.00 8.25 O ATOM 327 CB ASN A 44 8.872 11.054 19.219 1.00 7.91 C ATOM 328 CG ASN A 44 8.477 12.467 18.834 1.00 7.99 C ATOM 329 OD1 ASN A 44 8.748 13.431 19.552 1.00 9.20 O ATOM 330 ND2 ASN A 44 7.843 12.603 17.680 1.00 9.48 N ATOM 331 N PHE A 45 12.216 11.138 19.719 1.00 6.72 N ATOM 332 CA PHE A 45 13.426 11.797 19.233 1.00 6.79 C ATOM 333 C PHE A 45 14.179 10.852 18.317 1.00 6.27 C ATOM 334 O PHE A 45 14.046 9.629 18.416 1.00 6.28 O ATOM 335 CB PHE A 45 14.354 12.214 20.392 1.00 6.75 C ATOM 336 CG PHE A 45 13.754 13.242 21.303 1.00 7.62 C ATOM 337 CD2 PHE A 45 14.282 13.480 22.564 1.00 8.68 C ATOM 338 CD1 PHE A 45 12.677 14.016 20.881 1.00 8.00 C ATOM 339 CE2 PHE A 45 13.722 14.458 23.379 1.00 10.07 C ATOM 340 CE1 PHE A 45 12.133 14.987 21.689 1.00 9.72 C ATOM 341 CZ PHE A 45 12.651 15.208 22.936 1.00 10.79 C ATOM 342 N VAL A 46 14.974 11.446 17.432 1.00 6.10 N ATOM 343 CA VAL A 46 15.860 10.723 16.528 1.00 5.95 C ATOM 344 C VAL A 46 17.163 11.484 16.411 1.00 6.09 C ATOM 345 O VAL A 46 17.151 12.657 16.038 1.00 6.95 O ATOM 346 CB VAL A 46 15.253 10.633 15.107 1.00 7.59 C ATOM 347 CG1 VAL A 46 13.965 9.820 15.121 1.00 7.65 C ATOM 348 CG2 VAL A 46 15.006 12.026 14.534 1.00 7.77 C ATOM 349 N GLY A 47 18.292 10.837 16.699 1.00 5.73 N ATOM 350 CA GLY A 47 19.574 11.500 16.512 1.00 6.01 C ATOM 351 C GLY A 47 20.669 10.553 16.075 1.00 5.07 C ATOM 352 O GLY A 47 20.684 9.382 16.447 1.00 5.52 O ATOM 353 N GLY A 48 21.617 11.080 15.305 1.00 5.08 N ATOM 354 CA GLY A 48 22.804 10.339 14.952 1.00 4.99 C ATOM 355 C GLY A 48 23.641 11.013 13.895 1.00 4.63 C ATOM 356 O GLY A 48 23.366 12.142 13.477 1.00 6.03 O ATOM 357 N LYS A 49 24.665 10.284 13.453 1.00 4.79 N ATOM 358 CA LYS A 49 25.694 10.780 12.542 1.00 4.91 C ATOM 359 C LYS A 49 25.729 9.978 11.251 1.00 4.60 C ATOM 360 O LYS A 49 25.400 8.797 11.208 1.00 5.08 O ATOM 361 CB LYS A 49 27.085 10.717 13.181 1.00 5.12 C ATOM 362 CG LYS A 49 27.548 9.310 13.516 1.00 5.80 C ATOM 363 CD LYS A 49 28.821 9.337 14.367 1.00 6.11 C ATOM 364 CE LYS A 49 29.325 7.955 14.641 1.00 7.11 C ATOM 365 NZ LYS A 49 29.920 7.308 13.444 1.00 7.28 N ATOM 366 N GLY A 50 26.185 10.636 10.199 1.00 4.77 N ATOM 367 CA GLY A 50 26.365 9.988 8.917 1.00 4.63 C ATOM 368 C GLY A 50 26.704 10.990 7.836 1.00 4.40 C ATOM 369 O GLY A 50 27.732 11.669 7.896 1.00 4.87 O TER END s$r CRYST1 41.392 28.519 38.664 90.00 90.00 90.00 P 1 ATOM 1 N THR A 2 27.280 18.467 23.988 1.00 25.52 N ATOM 2 CA THR A 2 25.825 18.329 24.034 1.00 24.98 C ATOM 3 C THR A 2 25.162 19.532 23.362 1.00 25.01 C ATOM 4 O THR A 2 25.590 20.671 23.562 1.00 26.12 O ATOM 5 CB THR A 2 25.319 18.211 25.487 1.00 24.01 C ATOM 6 OG1 THR A 2 25.708 19.376 26.229 1.00 22.28 O ATOM 7 CG2 THR A 2 25.891 16.957 26.157 1.00 24.55 C ATOM 8 N ILE A 3 24.114 19.277 22.580 1.00 23.49 N ATOM 9 CA ILE A 3 23.513 20.315 21.737 1.00 22.04 C ATOM 10 C ILE A 3 21.987 20.292 21.685 1.00 19.94 C ATOM 11 O ILE A 3 21.355 19.303 22.052 1.00 19.14 O ATOM 12 CB ILE A 3 24.019 20.209 20.292 1.00 23.36 C ATOM 13 CG1 ILE A 3 25.545 20.300 20.248 1.00 23.11 C ATOM 14 CG2 ILE A 3 23.391 21.298 19.430 1.00 24.03 C ATOM 15 CD1 ILE A 3 26.093 21.579 20.825 1.00 23.70 C ATOM 16 N GLN A 4 21.410 21.397 21.215 1.00 19.34 N ATOM 17 CA GLN A 4 19.973 21.492 20.988 1.00 19.59 C ATOM 18 C GLN A 4 19.616 20.884 19.636 1.00 16.28 C ATOM 19 O GLN A 4 20.492 20.676 18.795 1.00 16.31 O ATOM 20 CB GLN A 4 19.522 22.952 21.035 1.00 23.23 C ATOM 21 CG GLN A 4 19.996 23.789 19.854 1.00 27.23 C ATOM 22 CD GLN A 4 21.465 24.134 19.961 1.00 30.62 C ATOM 23 OE1 GLN A 4 22.137 23.750 20.915 1.00 32.12 O ATOM 24 NE2 GLN A 4 21.972 24.871 18.978 1.00 32.28 N ATOM 25 N PRO A 5 18.329 20.582 19.422 1.00 14.64 N ATOM 26 CA PRO A 5 17.943 19.990 18.136 1.00 12.90 C ATOM 27 C PRO A 5 18.362 20.849 16.954 1.00 11.81 C ATOM 28 O PRO A 5 18.266 22.074 16.971 1.00 13.24 O ATOM 29 CB PRO A 5 16.420 19.907 18.238 1.00 13.99 C ATOM 30 CG PRO A 5 16.164 19.779 19.706 1.00 15.36 C ATOM 31 CD PRO A 5 17.164 20.696 20.368 1.00 15.61 C ATOM 32 N GLY A 6 18.849 20.171 15.929 1.00 10.60 N ATOM 33 CA GLY A 6 19.285 20.807 14.707 1.00 10.46 C ATOM 34 C GLY A 6 20.101 19.824 13.900 1.00 9.44 C ATOM 35 O GLY A 6 20.215 18.648 14.246 1.00 10.15 O ATOM 36 N THR A 7 20.644 20.318 12.800 1.00 9.01 N ATOM 37 CA THR A 7 21.533 19.549 11.955 1.00 8.10 C ATOM 38 C THR A 7 22.811 20.330 11.743 1.00 7.41 C ATOM 39 O THR A 7 22.867 21.550 11.955 1.00 9.47 O ATOM 40 CB THR A 7 20.896 19.219 10.586 1.00 9.45 C ATOM 41 OG1 THR A 7 20.555 20.436 9.915 1.00 11.96 O ATOM 42 CG2 THR A 7 19.661 18.343 10.736 1.00 10.01 C ATOM 43 N GLY A 8 23.834 19.611 11.314 1.00 6.97 N ATOM 44 CA GLY A 8 25.103 20.237 11.019 1.00 7.38 C ATOM 45 C GLY A 8 26.149 19.206 10.692 1.00 6.50 C ATOM 46 O GLY A 8 25.836 18.074 10.315 1.00 6.23 O ATOM 47 N TYR A 9 27.403 19.618 10.834 1.00 6.94 N ATOM 48 CA TYR A 9 28.542 18.785 10.500 1.00 7.32 C ATOM 49 C TYR A 9 29.512 18.830 11.670 1.00 8.00 C ATOM 50 O TYR A 9 29.731 19.881 12.276 1.00 9.95 O ATOM 51 CB TYR A 9 29.197 19.262 9.192 1.00 8.02 C ATOM 52 CG TYR A 9 29.741 20.659 9.346 1.00 8.02 C ATOM 53 CD1 TYR A 9 31.030 20.867 9.797 1.00 8.16 C ATOM 54 CD2 TYR A 9 28.994 21.763 8.966 1.00 8.88 C ATOM 55 CE1 TYR A 9 31.558 22.129 9.895 1.00 8.74 C ATOM 56 CE2 TYR A 9 29.515 23.044 9.057 1.00 9.46 C ATOM 57 CZ TYR A 9 30.803 23.217 9.525 1.00 9.31 C ATOM 58 OH TYR A 9 31.370 24.472 9.628 1.00 11.26 O ATOM 59 N ASN A 10 30.058 17.677 12.017 1.00 7.07 N ATOM 60 CA ASN A 10 30.934 17.543 13.166 1.00 6.83 C ATOM 61 C ASN A 10 31.979 16.487 12.843 1.00 6.42 C ATOM 62 O ASN A 10 31.641 15.329 12.569 1.00 6.41 O ATOM 63 CB ASN A 10 30.118 17.134 14.388 1.00 7.59 C ATOM 64 CG ASN A 10 29.118 18.188 14.791 1.00 8.66 C ATOM 65 OD1 ASN A 10 27.955 17.907 15.027 1.00 8.74 O ATOM 66 ND2 ASN A 10 29.580 19.411 14.897 1.00 11.51 N ATOM 67 N ASN A 11 33.238 16.901 12.822 1.00 6.66 N ATOM 68 CA ASN A 11 34.355 15.982 12.664 1.00 6.96 C ATOM 69 C ASN A 11 34.266 15.106 11.409 1.00 6.71 C ATOM 70 O ASN A 11 34.658 13.939 11.407 1.00 8.07 O ATOM 71 CB ASN A 11 34.529 15.144 13.924 1.00 8.10 C ATOM 72 CG ASN A 11 33.332 14.259 14.170 1.00 9.37 C ATOM 73 OD1 ASN A 11 32.702 13.775 13.227 1.00 11.21 O ATOM 74 ND2 ASN A 11 33.008 14.029 15.429 1.00 9.99 N ATOM 75 N GLY A 12 33.753 15.694 10.328 1.00 6.35 N ATOM 76 CA GLY A 12 33.683 15.024 9.044 1.00 6.73 C ATOM 77 C GLY A 12 32.376 14.341 8.734 1.00 5.70 C ATOM 78 O GLY A 12 32.231 13.795 7.640 1.00 6.08 O ATOM 79 N TYR A 13 31.440 14.378 9.684 1.00 5.21 N ATOM 80 CA TYR A 13 30.167 13.671 9.569 1.00 5.30 C ATOM 81 C TYR A 13 29.004 14.645 9.686 1.00 4.97 C ATOM 82 O TYR A 13 29.007 15.562 10.512 1.00 6.00 O ATOM 83 CB TYR A 13 30.049 12.547 10.621 1.00 5.59 C ATOM 84 CG TYR A 13 30.067 13.125 12.000 1.00 5.45 C ATOM 85 CD2 TYR A 13 31.239 13.199 12.733 1.00 5.92 C ATOM 86 CD1 TYR A 13 28.891 13.514 12.611 1.00 6.85 C ATOM 87 CE2 TYR A 13 31.238 13.680 14.035 1.00 5.98 C ATOM 88 CE1 TYR A 13 28.875 13.980 13.903 1.00 7.87 C ATOM 89 CZ TYR A 13 30.045 14.056 14.621 1.00 7.14 C ATOM 90 OH TYR A 13 30.033 14.520 15.925 1.00 8.20 O ATOM 91 N PHE A 14 27.979 14.438 8.868 1.00 4.83 N ATOM 92 CA PHE A 14 26.700 15.079 9.110 1.00 5.08 C ATOM 93 C PHE A 14 26.112 14.552 10.416 1.00 4.96 C ATOM 94 O PHE A 14 26.328 13.388 10.775 1.00 5.24 O ATOM 95 CB PHE A 14 25.751 14.737 7.965 1.00 5.06 C ATOM 96 CG PHE A 14 26.176 15.266 6.620 1.00 5.27 C ATOM 97 CD1 PHE A 14 27.095 16.301 6.518 1.00 5.95 C ATOM 98 CD2 PHE A 14 25.713 14.691 5.455 1.00 5.78 C ATOM 99 CE1 PHE A 14 27.495 16.771 5.292 1.00 7.34 C ATOM 100 CE2 PHE A 14 26.122 15.171 4.228 1.00 6.74 C ATOM 101 CZ PHE A 14 27.019 16.199 4.153 1.00 7.06 C ATOM 102 N TYR A 15 25.355 15.387 11.115 1.00 4.82 N ATOM 103 CA TYR A 15 24.515 14.893 12.199 1.00 5.27 C ATOM 104 C TYR A 15 23.145 15.524 12.111 1.00 5.29 C ATOM 105 O TYR A 15 22.981 16.636 11.630 1.00 5.41 O ATOM 106 CB TYR A 15 25.122 15.143 13.595 1.00 5.97 C ATOM 107 CG TYR A 15 26.410 14.416 13.842 1.00 7.44 C ATOM 108 CD1 TYR A 15 26.571 13.100 13.434 1.00 9.49 C ATOM 109 CD2 TYR A 15 27.458 15.025 14.518 1.00 8.61 C ATOM 110 CE1 TYR A 15 27.745 12.420 13.685 1.00 11.31 C ATOM 111 CE2 TYR A 15 28.631 14.352 14.764 1.00 11.04 C ATOM 112 CZ TYR A 15 28.761 13.051 14.362 1.00 12.81 C ATOM 113 OH TYR A 15 29.933 12.367 14.604 1.00 17.06 O ATOM 114 N SER A 16 22.156 14.783 12.593 1.00 5.50 N ATOM 115 CA SER A 16 20.819 15.299 12.823 1.00 6.09 C ATOM 116 C SER A 16 20.388 14.893 14.217 1.00 5.92 C ATOM 117 O SER A 16 20.514 13.732 14.581 1.00 6.88 O ATOM 118 CB SER A 16 19.833 14.736 11.797 1.00 6.80 C ATOM 119 OG SER A 16 20.153 15.183 10.492 1.00 7.26 O ATOM 120 N TYR A 17 19.890 15.852 14.985 1.00 6.06 N ATOM 121 CA TYR A 17 19.249 15.573 16.258 1.00 6.56 C ATOM 122 C TYR A 17 17.904 16.282 16.247 1.00 7.16 C ATOM 123 O TYR A 17 17.845 17.499 16.124 1.00 7.41 O ATOM 124 CB TYR A 17 20.115 16.050 17.418 1.00 7.32 C ATOM 125 CG TYR A 17 21.435 15.324 17.520 1.00 7.15 C ATOM 126 CD1 TYR A 17 21.511 13.953 17.335 1.00 7.80 C ATOM 127 CD2 TYR A 17 22.600 16.014 17.807 1.00 9.03 C ATOM 128 CE1 TYR A 17 22.717 13.279 17.453 1.00 8.31 C ATOM 129 CE2 TYR A 17 23.810 15.364 17.915 1.00 9.86 C ATOM 130 CZ TYR A 17 23.861 13.998 17.745 1.00 9.41 C ATOM 131 OH TYR A 17 25.068 13.347 17.869 1.00 11.39 O ATOM 132 N TRP A 18 16.832 15.508 16.319 1.00 6.46 N ATOM 133 CA TRP A 18 15.481 16.040 16.313 1.00 6.89 C ATOM 134 C TRP A 18 14.734 15.494 17.511 1.00 6.78 C ATOM 135 O TRP A 18 14.889 14.328 17.866 1.00 7.19 O ATOM 136 CB TRP A 18 14.741 15.644 15.020 1.00 8.12 C ATOM 137 CG TRP A 18 15.266 16.336 13.811 1.00 8.57 C ATOM 138 CD1 TRP A 18 14.890 17.557 13.327 1.00 10.00 C ATOM 139 CD2 TRP A 18 16.229 15.821 12.891 1.00 9.02 C ATOM 140 NE1 TRP A 18 15.568 17.833 12.163 1.00 10.46 N ATOM 141 CE2 TRP A 18 16.410 16.790 11.882 1.00 9.80 C ATOM 142 CE3 TRP A 18 16.977 14.643 12.837 1.00 10.18 C ATOM 143 CZ2 TRP A 18 17.304 16.608 10.830 1.00 11.34 C ATOM 144 CZ3 TRP A 18 17.863 14.472 11.794 1.00 11.54 C ATOM 145 CH2 TRP A 18 18.010 15.441 10.805 1.00 11.78 C ATOM 146 N ASN A 19 13.922 16.326 18.141 1.00 7.95 N ATOM 147 CA ASN A 19 12.948 15.797 19.080 1.00 9.14 C ATOM 148 C ASN A 19 11.633 16.532 18.930 1.00 10.16 C ATOM 149 O ASN A 19 11.548 17.545 18.242 1.00 10.43 O ATOM 150 CB ASN A 19 13.458 15.758 20.529 1.00 10.30 C ATOM 151 CG ASN A 19 14.513 14.714 20.767 1.00 11.25 C ATOM 152 OD1 ASN A 19 14.215 13.521 20.860 1.00 12.53 O ATOM 153 ND2 ASN A 19 15.770 15.150 20.805 1.00 12.51 N ATOM 154 N ASP A 20 10.597 15.974 19.539 1.00 10.11 N ATOM 155 CA ASP A 20 9.240 16.497 19.423 1.00 11.31 C ATOM 156 C ASP A 20 8.933 17.646 20.375 1.00 12.01 C ATOM 157 O ASP A 20 7.786 18.058 20.496 1.00 14.14 O ATOM 158 CB ASP A 20 8.223 15.371 19.636 1.00 10.66 C ATOM 159 CG ASP A 20 8.320 14.727 21.010 1.00 10.16 C ATOM 160 OD1 ASP A 20 9.220 15.085 21.792 1.00 10.78 O ATOM 161 OD2 ASP A 20 7.486 13.832 21.276 1.00 11.09 O ATOM 162 N GLY A 21 9.946 18.149 21.065 1.00 11.60 N ATOM 163 CA GLY A 21 9.747 19.259 21.981 1.00 12.64 C ATOM 164 C GLY A 21 9.649 18.844 23.437 1.00 12.44 C ATOM 165 O GLY A 21 9.740 19.667 24.341 1.00 14.16 O ATOM 166 N HIS A 22 9.419 17.557 23.676 1.00 12.02 N ATOM 167 CA HIS A 22 9.373 17.043 25.038 1.00 12.10 C ATOM 168 C HIS A 22 10.801 16.886 25.550 1.00 13.48 C ATOM 169 O HIS A 22 11.726 16.581 24.794 1.00 14.49 O ATOM 170 CB HIS A 22 8.620 15.709 25.111 1.00 12.02 C ATOM 171 CG HIS A 22 9.228 14.623 24.279 1.00 12.68 C ATOM 172 ND1 HIS A 22 9.118 14.572 22.905 1.00 12.82 N ATOM 173 CD2 HIS A 22 9.964 13.544 24.638 1.00 13.39 C ATOM 174 CE1 HIS A 22 9.758 13.504 22.455 1.00 13.29 C ATOM 175 NE2 HIS A 22 10.280 12.864 23.487 1.00 13.85 N ATOM 176 N GLY A 23 10.970 17.124 26.840 1.00 13.72 N ATOM 177 CA GLY A 23 12.264 17.038 27.476 1.00 12.76 C ATOM 178 C GLY A 23 12.675 15.600 27.730 1.00 11.56 C ATOM 179 O GLY A 23 12.004 14.657 27.311 1.00 12.14 O ATOM 180 N GLY A 24 13.806 15.440 28.399 1.00 11.33 N ATOM 181 CA GLY A 24 14.274 14.143 28.826 1.00 10.36 C ATOM 182 C GLY A 24 15.309 13.506 27.923 1.00 10.32 C ATOM 183 O GLY A 24 15.620 12.342 28.104 1.00 11.84 O ATOM 184 N VAL A 25 15.847 14.247 26.959 1.00 8.47 N ATOM 185 CA VAL A 25 16.851 13.696 26.049 1.00 8.48 C ATOM 186 C VAL A 25 18.100 14.565 26.031 1.00 7.64 C ATOM 187 O VAL A 25 18.012 15.799 25.979 1.00 9.12 O ATOM 188 CB VAL A 25 16.315 13.636 24.597 1.00 10.00 C ATOM 189 CG1 VAL A 25 16.005 15.030 24.051 1.00 9.60 C ATOM 190 CG2 VAL A 25 17.283 12.933 23.695 1.00 10.93 C ATOM 191 N THR A 26 19.256 13.918 26.063 1.00 7.15 N ATOM 192 CA THR A 26 20.535 14.594 25.916 1.00 7.84 C ATOM 193 C THR A 26 21.275 13.922 24.769 1.00 7.19 C ATOM 194 O THR A 26 21.496 12.714 24.799 1.00 9.02 O ATOM 195 CB THR A 26 21.378 14.462 27.203 1.00 10.22 C ATOM 196 OG1 THR A 26 21.598 13.079 27.490 1.00 11.90 O ATOM 197 CG2 THR A 26 20.674 15.112 28.370 1.00 11.98 C ATOM 198 N TYR A 27 21.633 14.705 23.753 1.00 6.81 N ATOM 199 CA TYR A 27 22.382 14.238 22.595 1.00 6.48 C ATOM 200 C TYR A 27 23.729 14.940 22.578 1.00 6.71 C ATOM 201 O TYR A 27 23.796 16.155 22.735 1.00 8.30 O ATOM 202 CB TYR A 27 21.588 14.559 21.306 1.00 7.26 C ATOM 203 CG TYR A 27 20.270 13.820 21.235 1.00 7.37 C ATOM 204 CD2 TYR A 27 19.106 14.466 20.840 1.00 7.26 C ATOM 205 CD1 TYR A 27 20.177 12.487 21.609 1.00 7.86 C ATOM 206 CE2 TYR A 27 17.895 13.806 20.816 1.00 7.81 C ATOM 207 CE1 TYR A 27 18.974 11.811 21.587 1.00 7.64 C ATOM 208 CZ TYR A 27 17.828 12.480 21.208 1.00 7.26 C ATOM 209 OH TYR A 27 16.606 11.838 21.194 1.00 8.15 O ATOM 210 N THR A 28 24.794 14.171 22.377 1.00 6.71 N ATOM 211 CA THR A 28 26.147 14.710 22.377 1.00 7.33 C ATOM 212 C THR A 28 26.949 14.191 21.181 1.00 6.96 C ATOM 213 O THR A 28 27.005 12.994 20.932 1.00 8.09 O ATOM 214 CB THR A 28 26.880 14.298 23.672 1.00 10.17 C ATOM 215 OG1 THR A 28 28.125 15.000 23.761 1.00 11.07 O ATOM 216 CG2 THR A 28 27.119 12.802 23.722 1.00 12.13 C ATOM 217 N ASN A 29 27.579 15.096 20.440 1.00 7.19 N ATOM 218 CA ASN A 29 28.550 14.706 19.431 1.00 7.57 C ATOM 219 C ASN A 29 29.906 14.486 20.073 1.00 7.97 C ATOM 220 O ASN A 29 30.357 15.285 20.887 1.00 10.50 O ATOM 221 CB ASN A 29 28.676 15.779 18.358 1.00 7.85 C ATOM 222 CG ASN A 29 29.217 17.083 18.904 1.00 8.76 C ATOM 223 OD1 ASN A 29 30.042 17.087 19.812 1.00 9.01 O ATOM 224 ND2 ASN A 29 28.745 18.199 18.360 1.00 10.27 N ATOM 225 N GLY A 30 30.561 13.405 19.679 1.00 7.19 N ATOM 226 CA GLY A 30 31.906 13.105 20.102 1.00 7.46 C ATOM 227 C GLY A 30 32.895 13.225 18.961 1.00 8.13 C ATOM 228 O GLY A 30 32.580 13.709 17.867 1.00 8.53 O ATOM 229 N PRO A 31 34.123 12.786 19.212 1.00 8.78 N ATOM 230 CA PRO A 31 35.159 12.825 18.186 1.00 9.31 C ATOM 231 C PRO A 31 34.810 11.908 17.016 1.00 8.51 C ATOM 232 O PRO A 31 34.071 10.934 17.155 1.00 9.39 O ATOM 233 CB PRO A 31 36.392 12.301 18.915 1.00 11.49 C ATOM 234 CG PRO A 31 35.850 11.415 19.958 1.00 13.14 C ATOM 235 CD PRO A 31 34.577 12.059 20.420 1.00 10.13 C ATOM 236 N GLY A 32 35.337 12.233 15.846 1.00 8.80 N ATOM 237 CA GLY A 32 35.157 11.384 14.688 1.00 9.08 C ATOM 238 C GLY A 32 33.688 11.135 14.392 1.00 7.51 C ATOM 239 O GLY A 32 32.887 12.075 14.346 1.00 7.67 O ATOM 240 N GLY A 33 33.339 9.872 14.163 1.00 7.67 N ATOM 241 CA GLY A 33 31.969 9.509 13.862 1.00 6.71 C ATOM 242 C GLY A 33 31.134 9.151 15.082 1.00 6.18 C ATOM 243 O GLY A 33 30.106 8.502 14.942 1.00 6.44 O ATOM 244 N GLN A 34 31.543 9.586 16.275 1.00 5.99 N ATOM 245 CA GLN A 34 30.890 9.161 17.509 1.00 6.20 C ATOM 246 C GLN A 34 29.798 10.119 17.947 1.00 5.48 C ATOM 247 O GLN A 34 29.938 11.331 17.837 1.00 5.99 O ATOM 248 CB GLN A 34 31.923 9.021 18.623 1.00 6.53 C ATOM 249 CG GLN A 34 32.505 10.353 19.112 1.00 8.20 C ATOM 250 CD GLN A 34 33.504 10.990 18.183 1.00 8.35 C ATOM 251 OE1 GLN A 34 33.826 10.480 17.115 1.00 9.19 O ATOM 252 NE2 GLN A 34 33.974 12.156 18.575 1.00 11.82 N ATOM 253 N PHE A 35 28.716 9.562 18.479 1.00 5.55 N ATOM 254 CA PHE A 35 27.708 10.344 19.172 1.00 5.72 C ATOM 255 C PHE A 35 27.139 9.501 20.292 1.00 5.40 C ATOM 256 O PHE A 35 27.270 8.284 20.304 1.00 6.00 O ATOM 257 CB PHE A 35 26.588 10.798 18.220 1.00 6.23 C ATOM 258 CG PHE A 35 27.045 11.733 17.134 1.00 6.26 C ATOM 259 CD1 PHE A 35 28.244 12.432 17.246 1.00 6.45 C ATOM 260 CD2 PHE A 35 26.290 11.912 16.000 1.00 6.51 C ATOM 261 CE1 PHE A 35 28.666 13.279 16.246 1.00 7.08 C ATOM 262 CE2 PHE A 35 26.721 12.755 14.998 1.00 6.76 C ATOM 263 CZ PHE A 35 27.906 13.452 15.123 1.00 6.66 C ATOM 264 N SER A 36 26.499 10.154 21.243 1.00 6.16 N ATOM 265 CA SER A 36 25.829 9.425 22.296 1.00 6.28 C ATOM 266 C SER A 36 24.521 10.093 22.648 1.00 5.97 C ATOM 267 O SER A 36 24.312 11.278 22.378 1.00 6.48 O ATOM 268 CB SER A 36 26.718 9.255 23.531 1.00 7.35 C ATOM 269 OG SER A 36 27.847 8.455 23.266 1.00 9.34 O ATOM 270 N VAL A 37 23.614 9.309 23.204 1.00 5.93 N ATOM 271 CA VAL A 37 22.326 9.824 23.630 1.00 6.47 C ATOM 272 C VAL A 37 21.984 9.181 24.967 1.00 6.48 C ATOM 273 O VAL A 37 22.221 8.002 25.187 1.00 8.30 O ATOM 274 CB VAL A 37 21.188 9.488 22.629 1.00 9.50 C ATOM 275 CG1 VAL A 37 20.998 7.993 22.531 1.00 10.95 C ATOM 276 CG2 VAL A 37 19.892 10.179 22.994 1.00 12.10 C ATOM 277 N ASN A 38 21.396 9.969 25.853 1.00 6.51 N ATOM 278 CA ASN A 38 20.906 9.466 27.125 1.00 7.39 C ATOM 279 C ASN A 38 19.547 10.071 27.363 1.00 6.94 C ATOM 280 O ASN A 38 19.395 11.286 27.306 1.00 7.87 O ATOM 281 CB ASN A 38 21.876 9.813 28.247 1.00 9.05 C ATOM 282 CG ASN A 38 21.993 11.300 28.452 1.00 10.90 C ATOM 283 OD1 ASN A 38 21.019 12.029 28.277 1.00 10.93 O ATOM 284 ND2 ASN A 38 23.175 11.757 28.853 1.00 12.47 N ATOM 285 N TRP A 39 18.555 9.226 27.611 1.00 6.38 N ATOM 286 CA TRP A 39 17.191 9.712 27.694 1.00 7.13 C ATOM 287 C TRP A 39 16.456 9.075 28.853 1.00 7.20 C ATOM 288 O TRP A 39 16.706 7.932 29.223 1.00 7.29 O ATOM 289 CB TRP A 39 16.460 9.555 26.354 1.00 7.41 C ATOM 290 CG TRP A 39 15.018 9.962 26.255 1.00 7.41 C ATOM 291 CD1 TRP A 39 13.964 9.110 26.206 1.00 7.80 C ATOM 292 CD2 TRP A 39 14.456 11.287 26.292 1.00 7.39 C ATOM 293 NE1 TRP A 39 12.778 9.804 26.205 1.00 8.62 N ATOM 294 CE2 TRP A 39 13.052 11.142 26.256 1.00 8.20 C ATOM 295 CE3 TRP A 39 14.992 12.577 26.377 1.00 7.09 C ATOM 296 CZ2 TRP A 39 12.178 12.235 26.281 1.00 9.04 C ATOM 297 CZ3 TRP A 39 14.119 13.661 26.410 1.00 7.82 C ATOM 298 CH2 TRP A 39 12.734 13.479 26.363 1.00 8.40 C ATOM 299 N SER A 40 15.557 9.853 29.435 1.00 8.36 N ATOM 300 CA SER A 40 14.797 9.429 30.600 1.00 9.41 C ATOM 301 C SER A 40 13.407 10.004 30.472 1.00 10.58 C ATOM 302 O SER A 40 13.241 11.215 30.510 1.00 11.66 O ATOM 303 CB SER A 40 15.446 9.968 31.874 1.00 10.74 C ATOM 304 OG SER A 40 16.732 9.414 32.086 1.00 13.53 O ATOM 305 N ASN A 41 12.411 9.142 30.316 1.00 10.65 N ATOM 306 CA ASN A 41 11.036 9.596 30.104 1.00 12.63 C ATOM 307 C ASN A 41 10.968 10.641 28.996 1.00 12.08 C ATOM 308 O ASN A 41 10.466 11.751 29.197 1.00 13.25 O ATOM 309 CB ASN A 41 10.443 10.173 31.400 1.00 15.75 C ATOM 310 CG ASN A 41 11.164 11.419 31.879 1.00 19.50 C ATOM 311 OD1 ASN A 41 11.641 12.225 31.086 1.00 20.32 O ATOM 312 ND2 ASN A 41 11.277 11.553 33.187 1.00 21.75 N ATOM 313 N SER A 42 11.468 10.270 27.823 1.00 10.26 N ATOM 314 CA SER A 42 11.490 11.164 26.672 1.00 9.95 C ATOM 315 C SER A 42 10.119 11.290 26.018 1.00 8.99 C ATOM 316 O SER A 42 9.166 10.649 26.431 1.00 9.97 O ATOM 317 CB SER A 42 12.463 10.613 25.629 1.00 9.85 C ATOM 318 OG SER A 42 13.795 10.624 26.127 1.00 10.52 O ATOM 319 N GLY A 43 10.047 12.107 24.969 1.00 8.61 N ATOM 320 CA GLY A 43 9.016 11.956 23.957 1.00 8.02 C ATOM 321 C GLY A 43 9.598 11.167 22.796 1.00 7.92 C ATOM 322 O GLY A 43 10.341 10.205 23.001 1.00 8.74 O ATOM 323 N ASN A 44 9.275 11.586 21.578 1.00 7.99 N ATOM 324 CA ASN A 44 9.878 11.013 20.371 1.00 7.59 C ATOM 325 C ASN A 44 11.111 11.823 20.006 1.00 7.50 C ATOM 326 O ASN A 44 11.063 13.051 20.003 1.00 8.25 O ATOM 327 CB ASN A 44 8.872 11.054 19.219 1.00 7.91 C ATOM 328 CG ASN A 44 7.650 10.193 19.475 1.00 7.99 C ATOM 329 OD1 ASN A 44 6.509 10.623 19.295 1.00 9.20 O ATOM 330 ND2 ASN A 44 7.881 8.955 19.885 1.00 9.48 N ATOM 331 N PHE A 45 12.216 11.138 19.719 1.00 6.72 N ATOM 332 CA PHE A 45 13.426 11.797 19.233 1.00 6.79 C ATOM 333 C PHE A 45 14.179 10.852 18.317 1.00 6.27 C ATOM 334 O PHE A 45 14.046 9.629 18.416 1.00 6.28 O ATOM 335 CB PHE A 45 14.354 12.214 20.392 1.00 6.75 C ATOM 336 CG PHE A 45 13.754 13.242 21.303 1.00 7.62 C ATOM 337 CD2 PHE A 45 14.283 13.481 22.564 1.00 8.68 C ATOM 338 CD1 PHE A 45 12.677 14.016 20.882 1.00 8.00 C ATOM 339 CE2 PHE A 45 13.724 14.459 23.379 1.00 10.07 C ATOM 340 CE1 PHE A 45 12.134 14.987 21.690 1.00 9.72 C ATOM 341 CZ PHE A 45 12.653 15.208 22.937 1.00 10.79 C ATOM 342 N VAL A 46 14.974 11.446 17.432 1.00 6.10 N ATOM 343 CA VAL A 46 15.860 10.723 16.528 1.00 5.95 C ATOM 344 C VAL A 46 17.163 11.484 16.411 1.00 6.09 C ATOM 345 O VAL A 46 17.151 12.657 16.038 1.00 6.95 O ATOM 346 CB VAL A 46 15.253 10.633 15.107 1.00 7.59 C ATOM 347 CG1 VAL A 46 13.964 9.820 15.120 1.00 7.65 C ATOM 348 CG2 VAL A 46 15.006 12.026 14.534 1.00 7.77 C ATOM 349 N GLY A 47 18.292 10.837 16.699 1.00 5.73 N ATOM 350 CA GLY A 47 19.574 11.500 16.512 1.00 6.01 C ATOM 351 C GLY A 47 20.669 10.553 16.075 1.00 5.07 C ATOM 352 O GLY A 47 20.684 9.382 16.447 1.00 5.52 O ATOM 353 N GLY A 48 21.617 11.080 15.305 1.00 5.08 N ATOM 354 CA GLY A 48 22.804 10.339 14.952 1.00 4.99 C ATOM 355 C GLY A 48 23.641 11.013 13.895 1.00 4.63 C ATOM 356 O GLY A 48 23.366 12.142 13.477 1.00 6.03 O ATOM 357 N LYS A 49 24.665 10.284 13.453 1.00 4.79 N ATOM 358 CA LYS A 49 25.694 10.780 12.542 1.00 4.91 C ATOM 359 C LYS A 49 25.729 9.978 11.251 1.00 4.60 C ATOM 360 O LYS A 49 25.400 8.797 11.208 1.00 5.08 O ATOM 361 CB LYS A 49 27.085 10.717 13.181 1.00 5.12 C ATOM 362 CG LYS A 49 28.204 11.198 12.274 1.00 5.80 C ATOM 363 CD LYS A 49 28.015 12.669 11.899 1.00 6.11 C ATOM 364 CE LYS A 49 29.195 13.199 11.146 1.00 7.11 C ATOM 365 NZ LYS A 49 28.961 14.552 10.582 1.00 7.28 N ATOM 366 N GLY A 50 26.185 10.636 10.199 1.00 4.77 N ATOM 367 CA GLY A 50 26.365 9.988 8.917 1.00 4.63 C ATOM 368 C GLY A 50 26.704 10.990 7.836 1.00 4.40 C ATOM 369 O GLY A 50 27.732 11.669 7.896 1.00 4.87 O TER END gÐ?c C sÚtjjddd|ƒ}|jdd|ƒ|jƒ}|jd|ƒjƒ}|jd|ƒ} | j ƒ| j ƒ} |j ddƒ} | j ƒ} | j dd |ƒtjjƒ} tjjd | d tjjƒd tj|jƒƒd tdtddƒ}|jj}|jƒ}|jƒ}|jdd|ƒ|jd|ƒ}dG|GHtd| d|d| ƒ}tjjd|j dt!ƒdtƒ}tj"j#j$d|d|d|d|j%ƒ}|j&ddƒ|j'ƒx^dgD]S}tj"j#j(jd |d | d!d"ƒ}H|j&dd#t)|ƒƒH|j'ƒqíW|jjdd$|ƒ|jd|jƒ}d%G|GH|d&kr |d'ks¸t*|ƒ‚n|d(ks¸t*|ƒ‚t+|j,ƒƒgksÖt*‚dS()Nt source_infotlinest file_names answer_%s.pdbtd_mintresolution_factortcolumn_root_labeltFCmaps answer_%s.mtzt mon_lib_srvtener_libt raw_recordststrict_conflict_handlingtforce_symmetrytlogs poor_%s.pdbtothersstart:tdatat miller_arraytcrystal_griddingtgeometryt show_energiest normalizationt pdb_hierarchytxray_structurettarget_map_objecttgeometry_restraints_managertprefixtstartitstructure_monitortmap_cc_all_thresholdgð?sMC %ssrefined_%s.pdbsfinal:ig{®Gáz´?gü©ñÒMb€?(-tiotbxtpdbtinputtNonetwrite_pdb_filetxray_structure_simpletstructure_factorstf_calctfft_maptapply_sigma_scalingtreal_map_unpaddedtas_mtz_datasett mtz_objecttwriteRtservertpdb_interpretationtprocessR Rt std_stringt splitlinestTruetall_chain_proxiesRRt sites_cartt mean_distanceRtmmtbxt restraintstmanagerRtFalset refinementt real_spaceRRtshowt show_residuest fit_residueststrtAssertionErrortlisttfind_sidechain_clashes(tpdb_str_answert pdb_str_poorRRtcntrRtpdb_inpt xrs_answerR'R(t target_mapt mtz_datasetR,R tprocessed_pdb_filetpdb_hierarchy_poortxrs_poortsites_cart_poortdistRtgrmtsmtitresult((s\/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/refinement/real_space/tst_fit_residues_1.pytexerciseèsl                  t__main__isTest t*i<RDREiRgð?RRFs Time: %6.4f(t __future__Rt(mmtbx.monomer_library.pdb_interpretationR7t iotbx.mtzR tcctbx.array_familyRttimeRt(mmtbx.refinement.real_space.fit_residuest iotbx.pdbtlibtbxRtpdb_str_answer_1tpdb_str_answer_2tpdb_str_poor_1tpdb_str_poor_2RTt__name__tt0tinputsRFt enumerateti_testtinpR@(((s\/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/refinement/real_space/tst_fit_residues_1.pyts6     ÿxÿxÿxÿx ;