EXPDTA T0359TS211_3-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0359TS211_3-scwrl ATOM 1 C GLU 4 -0.529 -14.893 -5.241 1.00 0.00 ATOM 2 N THR A 5 -0.867 -14.150 -6.252 1.00 0.00 ATOM 3 CA THR A 5 -1.291 -12.741 -6.013 1.00 0.00 ATOM 4 CB THR A 5 -0.910 -11.829 -7.194 1.00 0.00 ATOM 5 CG2 THR A 5 0.595 -11.844 -7.415 1.00 0.00 ATOM 6 OG1 THR A 5 -1.558 -12.290 -8.386 1.00 0.00 ATOM 7 O THR A 5 -3.620 -13.440 -6.315 1.00 0.00 ATOM 8 C THR A 5 -2.837 -12.621 -5.819 1.00 0.00 ATOM 9 N PHE A 6 -3.255 -11.574 -5.087 1.00 0.00 ATOM 10 CA PHE A 6 -4.680 -11.336 -4.726 1.00 0.00 ATOM 11 CB PHE A 6 -4.929 -11.697 -3.260 1.00 0.00 ATOM 12 CG PHE A 6 -6.353 -11.504 -2.822 1.00 0.00 ATOM 13 CD1 PHE A 6 -7.314 -12.459 -3.104 1.00 0.00 ATOM 14 CD2 PHE A 6 -6.731 -10.369 -2.127 1.00 0.00 ATOM 15 CE1 PHE A 6 -8.624 -12.282 -2.701 1.00 0.00 ATOM 16 CE2 PHE A 6 -8.041 -10.192 -1.724 1.00 0.00 ATOM 17 CZ PHE A 6 -8.986 -11.142 -2.008 1.00 0.00 ATOM 18 O PHE A 6 -4.315 -8.953 -4.422 1.00 0.00 ATOM 19 C PHE A 6 -5.003 -9.836 -4.949 1.00 0.00 ATOM 20 N ASP A 7 -6.079 -9.558 -5.705 1.00 0.00 ATOM 21 CA ASP A 7 -6.534 -8.168 -5.974 1.00 0.00 ATOM 22 CB ASP A 7 -7.212 -8.082 -7.343 1.00 0.00 ATOM 23 CG ASP A 7 -6.225 -8.186 -8.489 1.00 0.00 ATOM 24 OD1 ASP A 7 -5.011 -8.027 -8.244 1.00 0.00 ATOM 25 OD2 ASP A 7 -6.667 -8.428 -9.633 1.00 0.00 ATOM 26 O ASP A 7 -8.498 -8.425 -4.541 1.00 0.00 ATOM 27 C ASP A 7 -7.552 -7.710 -4.891 1.00 0.00 ATOM 28 N VAL A 8 -7.329 -6.491 -4.383 1.00 0.00 ATOM 29 CA VAL A 8 -8.179 -5.846 -3.340 1.00 0.00 ATOM 30 CB VAL A 8 -7.366 -5.517 -2.074 1.00 0.00 ATOM 31 CG1 VAL A 8 -6.819 -6.790 -1.446 1.00 0.00 ATOM 32 CG2 VAL A 8 -6.196 -4.607 -2.414 1.00 0.00 ATOM 33 O VAL A 8 -8.117 -3.797 -4.676 1.00 0.00 ATOM 34 C VAL A 8 -8.772 -4.518 -3.912 1.00 0.00 ATOM 35 N GLU A 9 -10.018 -4.201 -3.515 1.00 0.00 ATOM 36 CA GLU A 9 -10.751 -2.999 -3.997 1.00 0.00 ATOM 37 CB GLU A 9 -12.034 -3.409 -4.723 1.00 0.00 ATOM 38 CG GLU A 9 -12.812 -2.245 -5.314 1.00 0.00 ATOM 39 CD GLU A 9 -14.063 -2.691 -6.045 1.00 0.00 ATOM 40 OE1 GLU A 9 -14.359 -3.904 -6.029 1.00 0.00 ATOM 41 OE2 GLU A 9 -14.746 -1.828 -6.635 1.00 0.00 ATOM 42 O GLU A 9 -11.914 -2.500 -1.917 1.00 0.00 ATOM 43 C GLU A 9 -11.114 -2.111 -2.776 1.00 0.00 ATOM 44 N LEU A 10 -10.507 -0.915 -2.722 1.00 0.00 ATOM 45 CA LEU A 10 -10.579 -0.020 -1.542 1.00 0.00 ATOM 46 CB LEU A 10 -9.175 0.299 -1.025 1.00 0.00 ATOM 47 CG LEU A 10 -8.333 -0.895 -0.569 1.00 0.00 ATOM 48 CD1 LEU A 10 -6.924 -0.452 -0.205 1.00 0.00 ATOM 49 CD2 LEU A 10 -8.954 -1.556 0.651 1.00 0.00 ATOM 50 O LEU A 10 -10.791 2.020 -2.826 1.00 0.00 ATOM 51 C LEU A 10 -11.282 1.296 -1.953 1.00 0.00 ATOM 52 N THR A 11 -12.384 1.644 -1.268 1.00 0.00 ATOM 53 CA THR A 11 -12.997 2.996 -1.386 1.00 0.00 ATOM 54 CB THR A 11 -14.504 2.962 -1.071 1.00 0.00 ATOM 55 CG2 THR A 11 -15.101 4.357 -1.172 1.00 0.00 ATOM 56 OG1 THR A 11 -15.171 2.103 -2.005 1.00 0.00 ATOM 57 O THR A 11 -12.151 3.645 0.816 1.00 0.00 ATOM 58 C THR A 11 -12.289 3.949 -0.375 1.00 0.00 ATOM 59 N LYS A 12 -11.870 5.121 -0.876 1.00 0.00 ATOM 60 CA LYS A 12 -11.234 6.182 -0.054 1.00 0.00 ATOM 61 CB LYS A 12 -10.671 7.288 -0.949 1.00 0.00 ATOM 62 CG LYS A 12 -9.531 6.839 -1.848 1.00 0.00 ATOM 63 CD LYS A 12 -8.964 8.003 -2.644 1.00 0.00 ATOM 64 CE LYS A 12 -8.291 9.018 -1.736 1.00 0.00 ATOM 65 NZ LYS A 12 -7.685 10.138 -2.507 1.00 0.00 ATOM 66 O LYS A 12 -13.440 6.817 0.825 1.00 0.00 ATOM 67 C LYS A 12 -12.211 6.870 0.949 1.00 0.00 ATOM 68 N ASN A 13 -11.609 7.592 1.909 1.00 0.00 ATOM 69 CA ASN A 13 -12.326 8.595 2.744 1.00 0.00 ATOM 70 CB ASN A 13 -11.509 8.935 3.992 1.00 0.00 ATOM 71 CG ASN A 13 -12.356 9.536 5.097 1.00 0.00 ATOM 72 ND2 ASN A 13 -12.347 8.898 6.262 1.00 0.00 ATOM 73 OD1 ASN A 13 -13.010 10.561 4.903 1.00 0.00 ATOM 74 O ASN A 13 -12.413 9.967 0.699 1.00 0.00 ATOM 75 C ASN A 13 -12.565 9.923 1.927 1.00 0.00 ATOM 76 N VAL A 14 -12.921 11.029 2.607 1.00 0.00 ATOM 77 CA VAL A 14 -12.885 12.403 2.005 1.00 0.00 ATOM 78 CB VAL A 14 -13.537 13.444 2.934 1.00 0.00 ATOM 79 CG1 VAL A 14 -13.324 14.849 2.393 1.00 0.00 ATOM 80 CG2 VAL A 14 -15.033 13.194 3.047 1.00 0.00 ATOM 81 O VAL A 14 -11.107 13.311 0.622 1.00 0.00 ATOM 82 C VAL A 14 -11.409 12.872 1.735 1.00 0.00 ATOM 83 N GLN A 15 -10.510 12.771 2.738 1.00 0.00 ATOM 84 CA GLN A 15 -9.078 13.156 2.611 1.00 0.00 ATOM 85 CB GLN A 15 -8.417 13.224 3.989 1.00 0.00 ATOM 86 CG GLN A 15 -8.912 14.368 4.859 1.00 0.00 ATOM 87 CD GLN A 15 -8.424 15.720 4.377 1.00 0.00 ATOM 88 OE1 GLN A 15 -7.241 15.897 4.089 1.00 0.00 ATOM 89 NE2 GLN A 15 -9.337 16.680 4.288 1.00 0.00 ATOM 90 O GLN A 15 -7.803 12.515 0.666 1.00 0.00 ATOM 91 C GLN A 15 -8.258 12.143 1.752 1.00 0.00 ATOM 92 N GLY A 16 -8.068 10.891 2.219 1.00 0.00 ATOM 93 CA GLY A 16 -7.246 9.906 1.491 1.00 0.00 ATOM 94 O GLY A 16 -8.300 7.746 1.648 1.00 0.00 ATOM 95 C GLY A 16 -7.382 8.476 2.034 1.00 0.00 ATOM 96 N LEU A 17 -6.405 8.066 2.856 1.00 0.00 ATOM 97 CA LEU A 17 -6.035 6.631 3.016 1.00 0.00 ATOM 98 CB LEU A 17 -4.605 6.389 2.528 1.00 0.00 ATOM 99 CG LEU A 17 -4.321 6.736 1.065 1.00 0.00 ATOM 100 CD1 LEU A 17 -2.842 6.568 0.751 1.00 0.00 ATOM 101 CD2 LEU A 17 -5.110 5.829 0.134 1.00 0.00 ATOM 102 O LEU A 17 -6.059 6.968 5.443 1.00 0.00 ATOM 103 C LEU A 17 -6.109 6.164 4.505 1.00 0.00 ATOM 104 N GLY A 18 -6.129 4.834 4.708 1.00 0.00 ATOM 105 CA GLY A 18 -5.569 4.222 5.949 1.00 0.00 ATOM 106 O GLY A 18 -4.303 2.229 6.457 1.00 0.00 ATOM 107 C GLY A 18 -4.396 3.228 5.741 1.00 0.00 ATOM 108 N ILE A 19 -3.508 3.522 4.775 1.00 0.00 ATOM 109 CA ILE A 19 -2.241 2.785 4.524 1.00 0.00 ATOM 110 CB ILE A 19 -2.248 2.104 3.143 1.00 0.00 ATOM 111 CG1 ILE A 19 -0.951 1.322 2.927 1.00 0.00 ATOM 112 CG2 ILE A 19 -2.374 3.142 2.038 1.00 0.00 ATOM 113 CD1 ILE A 19 -0.995 0.382 1.742 1.00 0.00 ATOM 114 O ILE A 19 -1.210 4.924 3.985 1.00 0.00 ATOM 115 C ILE A 19 -1.118 3.850 4.597 1.00 0.00 ATOM 116 N THR A 20 -0.015 3.501 5.272 1.00 0.00 ATOM 117 CA THR A 20 1.273 4.194 5.045 1.00 0.00 ATOM 118 CB THR A 20 1.639 5.107 6.230 1.00 0.00 ATOM 119 CG2 THR A 20 2.951 5.828 5.961 1.00 0.00 ATOM 120 OG1 THR A 20 0.606 6.081 6.423 1.00 0.00 ATOM 121 O THR A 20 2.598 2.261 5.762 1.00 0.00 ATOM 122 C THR A 20 2.347 3.086 4.878 1.00 0.00 ATOM 123 N ILE A 21 2.985 3.116 3.703 1.00 0.00 ATOM 124 CA ILE A 21 4.094 2.199 3.300 1.00 0.00 ATOM 125 CB ILE A 21 4.220 2.104 1.768 1.00 0.00 ATOM 126 CG1 ILE A 21 2.907 1.614 1.155 1.00 0.00 ATOM 127 CG2 ILE A 21 5.325 1.133 1.383 1.00 0.00 ATOM 128 CD1 ILE A 21 2.485 0.242 1.633 1.00 0.00 ATOM 129 O ILE A 21 6.392 3.023 3.108 1.00 0.00 ATOM 130 C ILE A 21 5.469 2.701 3.859 1.00 0.00 ATOM 131 N ALA A 22 5.586 2.803 5.195 1.00 0.00 ATOM 132 CA ALA A 22 6.202 3.991 5.839 1.00 0.00 ATOM 133 CB ALA A 22 5.556 4.256 7.190 1.00 0.00 ATOM 134 O ALA A 22 8.171 4.082 7.265 1.00 0.00 ATOM 135 C ALA A 22 7.729 3.912 6.122 1.00 0.00 ATOM 136 N GLY A 23 8.544 3.740 5.064 1.00 0.00 ATOM 137 CA GLY A 23 10.027 3.789 5.158 1.00 0.00 ATOM 138 O GLY A 23 11.247 4.906 6.901 1.00 0.00 ATOM 139 C GLY A 23 10.613 5.038 5.853 1.00 0.00 ATOM 140 N TYR A 24 10.306 6.231 5.317 1.00 0.00 ATOM 141 CA TYR A 24 10.643 7.537 5.949 1.00 0.00 ATOM 142 CB TYR A 24 9.950 8.684 5.211 1.00 0.00 ATOM 143 CG TYR A 24 10.187 10.043 5.831 1.00 0.00 ATOM 144 CD1 TYR A 24 11.372 10.731 5.605 1.00 0.00 ATOM 145 CD2 TYR A 24 9.223 10.633 6.639 1.00 0.00 ATOM 146 CE1 TYR A 24 11.597 11.973 6.168 1.00 0.00 ATOM 147 CE2 TYR A 24 9.431 11.875 7.210 1.00 0.00 ATOM 148 CZ TYR A 24 10.630 12.543 6.967 1.00 0.00 ATOM 149 OH TYR A 24 10.851 13.780 7.528 1.00 0.00 ATOM 150 O TYR A 24 11.065 8.298 8.198 1.00 0.00 ATOM 151 C TYR A 24 10.251 7.743 7.455 1.00 0.00 ATOM 152 N ILE A 25 9.037 7.342 7.896 1.00 0.00 ATOM 153 CA ILE A 25 8.518 7.647 9.271 1.00 0.00 ATOM 154 CB ILE A 25 7.070 7.153 9.450 1.00 0.00 ATOM 155 CG1 ILE A 25 6.118 7.961 8.567 1.00 0.00 ATOM 156 CG2 ILE A 25 6.631 7.305 10.899 1.00 0.00 ATOM 157 CD1 ILE A 25 4.726 7.374 8.474 1.00 0.00 ATOM 158 O ILE A 25 9.837 7.694 11.287 1.00 0.00 ATOM 159 C ILE A 25 9.366 6.974 10.403 1.00 0.00 ATOM 160 N GLY A 26 9.574 5.640 10.380 1.00 0.00 ATOM 161 CA GLY A 26 10.511 4.980 11.331 1.00 0.00 ATOM 162 O GLY A 26 12.691 3.976 11.268 1.00 0.00 ATOM 163 C GLY A 26 12.016 4.960 10.958 1.00 0.00 ATOM 164 N ASP A 27 12.537 6.033 10.325 1.00 0.00 ATOM 165 CA ASP A 27 13.980 6.198 9.952 1.00 0.00 ATOM 166 CB ASP A 27 14.849 6.304 11.207 1.00 0.00 ATOM 167 CG ASP A 27 14.532 7.536 12.032 1.00 0.00 ATOM 168 OD1 ASP A 27 14.500 8.644 11.458 1.00 0.00 ATOM 169 OD2 ASP A 27 14.316 7.392 13.254 1.00 0.00 ATOM 170 O ASP A 27 15.849 4.793 9.211 1.00 0.00 ATOM 171 C ASP A 27 14.647 5.055 9.101 1.00 0.00 ATOM 172 N LYS A 28 13.863 4.411 8.218 1.00 0.00 ATOM 173 CA LYS A 28 14.336 3.363 7.276 1.00 0.00 ATOM 174 CB LYS A 28 13.405 2.149 7.314 1.00 0.00 ATOM 175 CG LYS A 28 13.311 1.481 8.676 1.00 0.00 ATOM 176 CD LYS A 28 12.431 0.243 8.624 1.00 0.00 ATOM 177 CE LYS A 28 12.409 -0.475 9.964 1.00 0.00 ATOM 178 NZ LYS A 28 11.550 -1.690 9.928 1.00 0.00 ATOM 179 O LYS A 28 13.822 5.000 5.514 1.00 0.00 ATOM 180 C LYS A 28 14.363 3.929 5.821 1.00 0.00 ATOM 181 N LYS A 29 14.975 3.164 4.902 1.00 0.00 ATOM 182 CA LYS A 29 14.837 3.406 3.437 1.00 0.00 ATOM 183 CB LYS A 29 16.178 3.196 2.731 1.00 0.00 ATOM 184 CG LYS A 29 17.219 4.257 3.046 1.00 0.00 ATOM 185 CD LYS A 29 18.540 3.957 2.357 1.00 0.00 ATOM 186 CE LYS A 29 19.563 5.049 2.624 1.00 0.00 ATOM 187 NZ LYS A 29 20.887 4.729 2.024 1.00 0.00 ATOM 188 O LYS A 29 12.745 2.169 3.522 1.00 0.00 ATOM 189 C LYS A 29 13.779 2.393 2.877 1.00 0.00 ATOM 190 N LEU A 30 13.997 1.803 1.687 1.00 0.00 ATOM 191 CA LEU A 30 13.117 0.735 1.142 1.00 0.00 ATOM 192 CB LEU A 30 12.920 0.919 -0.364 1.00 0.00 ATOM 193 CG LEU A 30 12.294 2.243 -0.809 1.00 0.00 ATOM 194 CD1 LEU A 30 12.230 2.324 -2.326 1.00 0.00 ATOM 195 CD2 LEU A 30 10.880 2.378 -0.265 1.00 0.00 ATOM 196 O LEU A 30 14.924 -0.904 1.418 1.00 0.00 ATOM 197 C LEU A 30 13.709 -0.683 1.367 1.00 0.00 ATOM 198 N GLU A 31 12.782 -1.653 1.407 1.00 0.00 ATOM 199 CA GLU A 31 13.097 -3.098 1.257 1.00 0.00 ATOM 200 CB GLU A 31 11.958 -3.955 1.814 1.00 0.00 ATOM 201 CG GLU A 31 11.744 -3.805 3.311 1.00 0.00 ATOM 202 CD GLU A 31 10.638 -4.701 3.833 1.00 0.00 ATOM 203 OE1 GLU A 31 10.005 -5.402 3.016 1.00 0.00 ATOM 204 OE2 GLU A 31 10.404 -4.703 5.060 1.00 0.00 ATOM 205 O GLU A 31 12.736 -2.760 -1.122 1.00 0.00 ATOM 206 C GLU A 31 13.299 -3.461 -0.271 1.00 0.00 ATOM 207 N PRO A 32 14.116 -4.481 -0.683 1.00 0.00 ATOM 208 CA PRO A 32 14.792 -4.518 -2.018 1.00 0.00 ATOM 209 CB PRO A 32 15.342 -5.942 -2.115 1.00 0.00 ATOM 210 CG PRO A 32 15.607 -6.337 -0.701 1.00 0.00 ATOM 211 CD PRO A 32 14.459 -5.798 0.105 1.00 0.00 ATOM 212 O PRO A 32 13.257 -5.113 -3.823 1.00 0.00 ATOM 213 C PRO A 32 13.987 -4.248 -3.331 1.00 0.00 ATOM 214 N SER A 33 14.146 -3.020 -3.873 1.00 0.00 ATOM 215 CA SER A 33 13.465 -2.527 -5.117 1.00 0.00 ATOM 216 CB SER A 33 14.105 -3.148 -6.360 1.00 0.00 ATOM 217 OG SER A 33 15.480 -2.814 -6.447 1.00 0.00 ATOM 218 O SER A 33 11.463 -3.338 -6.285 1.00 0.00 ATOM 219 C SER A 33 11.935 -2.825 -5.263 1.00 0.00 ATOM 220 N GLY A 34 11.174 -2.491 -4.213 1.00 0.00 ATOM 221 CA GLY A 34 9.770 -2.916 -4.085 1.00 0.00 ATOM 222 O GLY A 34 9.707 -1.874 -1.884 1.00 0.00 ATOM 223 C GLY A 34 9.087 -2.222 -2.897 1.00 0.00 ATOM 224 N ILE A 35 7.769 -2.050 -3.040 1.00 0.00 ATOM 225 CA ILE A 35 6.931 -1.366 -2.021 1.00 0.00 ATOM 226 CB ILE A 35 5.797 -0.555 -2.675 1.00 0.00 ATOM 227 CG1 ILE A 35 6.371 0.475 -3.649 1.00 0.00 ATOM 228 CG2 ILE A 35 4.989 0.180 -1.616 1.00 0.00 ATOM 229 CD1 ILE A 35 7.294 1.482 -2.999 1.00 0.00 ATOM 230 O ILE A 35 5.734 -3.442 -1.555 1.00 0.00 ATOM 231 C ILE A 35 6.315 -2.454 -1.096 1.00 0.00 ATOM 232 N PHE A 36 6.457 -2.227 0.218 1.00 0.00 ATOM 233 CA PHE A 36 5.949 -3.144 1.267 1.00 0.00 ATOM 234 CB PHE A 36 7.112 -3.806 2.009 1.00 0.00 ATOM 235 CG PHE A 36 7.986 -4.655 1.130 1.00 0.00 ATOM 236 CD1 PHE A 36 9.118 -4.125 0.536 1.00 0.00 ATOM 237 CD2 PHE A 36 7.677 -5.984 0.898 1.00 0.00 ATOM 238 CE1 PHE A 36 9.922 -4.905 -0.273 1.00 0.00 ATOM 239 CE2 PHE A 36 8.481 -6.765 0.090 1.00 0.00 ATOM 240 CZ PHE A 36 9.600 -6.231 -0.494 1.00 0.00 ATOM 241 O PHE A 36 5.389 -1.170 2.613 1.00 0.00 ATOM 242 C PHE A 36 5.097 -2.325 2.273 1.00 0.00 ATOM 243 N VAL A 37 4.047 -2.983 2.784 1.00 0.00 ATOM 244 CA VAL A 37 3.151 -2.425 3.830 1.00 0.00 ATOM 245 CB VAL A 37 1.871 -3.268 3.985 1.00 0.00 ATOM 246 CG1 VAL A 37 1.025 -2.744 5.136 1.00 0.00 ATOM 247 CG2 VAL A 37 1.040 -3.212 2.713 1.00 0.00 ATOM 248 O VAL A 37 4.529 -3.404 5.591 1.00 0.00 ATOM 249 C VAL A 37 3.911 -2.411 5.198 1.00 0.00 ATOM 250 N LYS A 38 3.844 -1.276 5.908 1.00 0.00 ATOM 251 CA LYS A 38 4.465 -1.118 7.255 1.00 0.00 ATOM 252 CB LYS A 38 5.542 -0.031 7.225 1.00 0.00 ATOM 253 CG LYS A 38 6.271 0.156 8.545 1.00 0.00 ATOM 254 CD LYS A 38 7.322 1.250 8.444 1.00 0.00 ATOM 255 CE LYS A 38 8.074 1.416 9.754 1.00 0.00 ATOM 256 NZ LYS A 38 9.189 2.396 9.635 1.00 0.00 ATOM 257 O LYS A 38 3.436 -1.314 9.425 1.00 0.00 ATOM 258 C LYS A 38 3.428 -0.715 8.347 1.00 0.00 ATOM 259 N SER A 39 2.578 0.302 8.096 1.00 0.00 ATOM 260 CA SER A 39 1.534 0.757 9.044 1.00 0.00 ATOM 261 CB SER A 39 1.749 2.226 9.414 1.00 0.00 ATOM 262 OG SER A 39 0.726 2.690 10.277 1.00 0.00 ATOM 263 O SER A 39 -0.129 1.125 7.299 1.00 0.00 ATOM 264 C SER A 39 0.132 0.603 8.389 1.00 0.00 ATOM 265 N ILE A 40 -0.771 -0.090 9.103 1.00 0.00 ATOM 266 CA ILE A 40 -2.227 -0.122 8.780 1.00 0.00 ATOM 267 CB ILE A 40 -2.772 -1.562 8.771 1.00 0.00 ATOM 268 CG1 ILE A 40 -2.058 -2.396 7.704 1.00 0.00 ATOM 269 CG2 ILE A 40 -4.262 -1.566 8.469 1.00 0.00 ATOM 270 CD1 ILE A 40 -2.366 -3.875 7.779 1.00 0.00 ATOM 271 O ILE A 40 -2.785 0.462 11.087 1.00 0.00 ATOM 272 C ILE A 40 -2.944 0.713 9.886 1.00 0.00 ATOM 273 N THR A 41 -3.787 1.668 9.453 1.00 0.00 ATOM 274 CA THR A 41 -4.665 2.454 10.364 1.00 0.00 ATOM 275 CB THR A 41 -5.164 3.746 9.691 1.00 0.00 ATOM 276 CG2 THR A 41 -6.080 4.516 10.630 1.00 0.00 ATOM 277 OG1 THR A 41 -4.046 4.574 9.350 1.00 0.00 ATOM 278 O THR A 41 -6.526 0.929 9.932 1.00 0.00 ATOM 279 C THR A 41 -5.910 1.601 10.769 1.00 0.00 ATOM 280 N LYS A 42 -6.285 1.668 12.062 1.00 0.00 ATOM 281 CA LYS A 42 -7.456 0.928 12.606 1.00 0.00 ATOM 282 CB LYS A 42 -7.535 1.093 14.125 1.00 0.00 ATOM 283 CG LYS A 42 -6.413 0.404 14.884 1.00 0.00 ATOM 284 CD LYS A 42 -6.578 0.571 16.385 1.00 0.00 ATOM 285 CE LYS A 42 -5.430 -0.076 17.142 1.00 0.00 ATOM 286 NZ LYS A 42 -5.588 0.063 18.616 1.00 0.00 ATOM 287 O LYS A 42 -9.056 2.634 11.893 1.00 0.00 ATOM 288 C LYS A 42 -8.811 1.429 12.012 1.00 0.00 ATOM 289 N SER A 43 -9.679 0.462 11.658 1.00 0.00 ATOM 290 CA SER A 43 -11.023 0.714 11.053 1.00 0.00 ATOM 291 CB SER A 43 -11.872 1.588 11.978 1.00 0.00 ATOM 292 OG SER A 43 -12.076 0.957 13.230 1.00 0.00 ATOM 293 O SER A 43 -11.918 2.254 9.377 1.00 0.00 ATOM 294 C SER A 43 -11.030 1.445 9.666 1.00 0.00 ATOM 295 N SER A 44 -10.061 1.109 8.794 1.00 0.00 ATOM 296 CA SER A 44 -9.978 1.632 7.406 1.00 0.00 ATOM 297 CB SER A 44 -8.527 1.950 7.039 1.00 0.00 ATOM 298 OG SER A 44 -7.747 0.769 6.972 1.00 0.00 ATOM 299 O SER A 44 -10.747 -0.578 6.676 1.00 0.00 ATOM 300 C SER A 44 -10.518 0.598 6.369 1.00 0.00 ATOM 301 N ALA A 45 -10.630 1.028 5.098 1.00 0.00 ATOM 302 CA ALA A 45 -10.717 0.086 3.940 1.00 0.00 ATOM 303 CB ALA A 45 -10.761 0.858 2.630 1.00 0.00 ATOM 304 O ALA A 45 -9.750 -2.035 3.248 1.00 0.00 ATOM 305 C ALA A 45 -9.542 -0.940 3.770 1.00 0.00 ATOM 306 N VAL A 46 -8.328 -0.580 4.223 1.00 0.00 ATOM 307 CA VAL A 46 -7.100 -1.422 4.152 1.00 0.00 ATOM 308 CB VAL A 46 -5.825 -0.577 4.334 1.00 0.00 ATOM 309 CG1 VAL A 46 -4.597 -1.473 4.394 1.00 0.00 ATOM 310 CG2 VAL A 46 -5.658 0.392 3.174 1.00 0.00 ATOM 311 O VAL A 46 -6.732 -3.681 4.931 1.00 0.00 ATOM 312 C VAL A 46 -7.060 -2.536 5.252 1.00 0.00 ATOM 313 N GLU A 47 -7.415 -2.218 6.520 1.00 0.00 ATOM 314 CA GLU A 47 -7.710 -3.241 7.564 1.00 0.00 ATOM 315 CB GLU A 47 -8.107 -2.566 8.878 1.00 0.00 ATOM 316 CG GLU A 47 -8.366 -3.535 10.020 1.00 0.00 ATOM 317 CD GLU A 47 -8.700 -2.829 11.320 1.00 0.00 ATOM 318 OE1 GLU A 47 -8.710 -1.580 11.331 1.00 0.00 ATOM 319 OE2 GLU A 47 -8.952 -3.525 12.326 1.00 0.00 ATOM 320 O GLU A 47 -8.750 -5.428 7.476 1.00 0.00 ATOM 321 C GLU A 47 -8.876 -4.228 7.215 1.00 0.00 ATOM 322 N HIS A 48 -9.973 -3.735 6.603 1.00 0.00 ATOM 323 CA HIS A 48 -11.056 -4.585 6.041 1.00 0.00 ATOM 324 CB HIS A 48 -12.158 -3.716 5.432 1.00 0.00 ATOM 325 CG HIS A 48 -13.261 -4.499 4.792 1.00 0.00 ATOM 326 CD2 HIS A 48 -13.671 -4.791 3.426 1.00 0.00 ATOM 327 ND1 HIS A 48 -14.215 -5.175 5.522 1.00 0.00 ATOM 328 CE1 HIS A 48 -15.067 -5.781 4.676 1.00 0.00 ATOM 329 NE2 HIS A 48 -14.746 -5.555 3.417 1.00 0.00 ATOM 330 O HIS A 48 -10.887 -6.766 5.005 1.00 0.00 ATOM 331 C HIS A 48 -10.601 -5.570 4.907 1.00 0.00 ATOM 332 N ASP A 49 -9.913 -5.076 3.857 1.00 0.00 ATOM 333 CA ASP A 49 -9.485 -5.900 2.693 1.00 0.00 ATOM 334 CB ASP A 49 -9.112 -5.004 1.510 1.00 0.00 ATOM 335 CG ASP A 49 -10.323 -4.363 0.860 1.00 0.00 ATOM 336 OD1 ASP A 49 -10.938 -3.479 1.492 1.00 0.00 ATOM 337 OD2 ASP A 49 -10.657 -4.746 -0.281 1.00 0.00 ATOM 338 O ASP A 49 -8.394 -8.012 3.114 1.00 0.00 ATOM 339 C ASP A 49 -8.242 -6.790 3.011 1.00 0.00 ATOM 340 N GLY A 50 -7.036 -6.204 3.164 1.00 0.00 ATOM 341 CA GLY A 50 -5.800 -6.979 3.449 1.00 0.00 ATOM 342 O GLY A 50 -4.224 -7.434 5.192 1.00 0.00 ATOM 343 C GLY A 50 -5.413 -7.235 4.926 1.00 0.00 ATOM 344 N ARG A 51 -6.382 -7.281 5.871 1.00 0.00 ATOM 345 CA ARG A 51 -6.147 -7.645 7.304 1.00 0.00 ATOM 346 CB ARG A 51 -5.530 -9.041 7.408 1.00 0.00 ATOM 347 CG ARG A 51 -6.397 -10.148 6.830 1.00 0.00 ATOM 348 CD ARG A 51 -5.755 -11.511 7.025 1.00 0.00 ATOM 349 NE ARG A 51 -5.682 -11.885 8.436 1.00 0.00 ATOM 350 CZ ARG A 51 -4.946 -12.886 8.906 1.00 0.00 ATOM 351 NH1 ARG A 51 -4.942 -13.153 10.205 1.00 0.00 ATOM 352 NH2 ARG A 51 -4.216 -13.619 8.077 1.00 0.00 ATOM 353 O ARG A 51 -5.053 -5.484 7.621 1.00 0.00 ATOM 354 C ARG A 51 -5.171 -6.645 8.027 1.00 0.00 ATOM 355 N ILE A 52 -4.429 -7.089 9.062 1.00 0.00 ATOM 356 CA ILE A 52 -3.286 -6.311 9.634 1.00 0.00 ATOM 357 CB ILE A 52 -3.160 -6.528 11.153 1.00 0.00 ATOM 358 CG1 ILE A 52 -4.428 -6.054 11.867 1.00 0.00 ATOM 359 CG2 ILE A 52 -1.976 -5.749 11.706 1.00 0.00 ATOM 360 CD1 ILE A 52 -4.511 -6.484 13.315 1.00 0.00 ATOM 361 O ILE A 52 -1.110 -7.423 9.549 1.00 0.00 ATOM 362 C ILE A 52 -1.980 -6.816 8.915 1.00 0.00 ATOM 363 N GLN A 53 -1.870 -6.588 7.581 1.00 0.00 ATOM 364 CA GLN A 53 -0.825 -7.187 6.690 1.00 0.00 ATOM 365 CB GLN A 53 -1.332 -7.268 5.249 1.00 0.00 ATOM 366 CG GLN A 53 -2.455 -8.272 5.042 1.00 0.00 ATOM 367 CD GLN A 53 -2.051 -9.684 5.417 1.00 0.00 ATOM 368 OE1 GLN A 53 -2.628 -10.284 6.324 1.00 0.00 ATOM 369 NE2 GLN A 53 -1.056 -10.219 4.719 1.00 0.00 ATOM 370 O GLN A 53 0.865 -5.844 5.619 1.00 0.00 ATOM 371 C GLN A 53 0.488 -6.363 6.670 1.00 0.00 ATOM 372 N ILE A 54 1.206 -6.308 7.808 1.00 0.00 ATOM 373 CA ILE A 54 2.526 -5.631 7.927 1.00 0.00 ATOM 374 CB ILE A 54 2.850 -5.280 9.391 1.00 0.00 ATOM 375 CG1 ILE A 54 1.816 -4.299 9.946 1.00 0.00 ATOM 376 CG2 ILE A 54 4.226 -4.639 9.493 1.00 0.00 ATOM 377 CD1 ILE A 54 1.922 -4.080 11.440 1.00 0.00 ATOM 378 O ILE A 54 3.774 -7.729 7.896 1.00 0.00 ATOM 379 C ILE A 54 3.595 -6.626 7.370 1.00 0.00 ATOM 380 N GLY A 55 4.265 -6.223 6.284 1.00 0.00 ATOM 381 CA GLY A 55 5.100 -7.134 5.463 1.00 0.00 ATOM 382 O GLY A 55 5.193 -8.440 3.468 1.00 0.00 ATOM 383 C GLY A 55 4.476 -7.725 4.172 1.00 0.00 ATOM 384 N ASP A 56 3.209 -7.414 3.815 1.00 0.00 ATOM 385 CA ASP A 56 2.647 -7.713 2.469 1.00 0.00 ATOM 386 CB ASP A 56 1.147 -7.413 2.436 1.00 0.00 ATOM 387 CG ASP A 56 0.490 -7.867 1.147 1.00 0.00 ATOM 388 OD1 ASP A 56 0.864 -7.348 0.075 1.00 0.00 ATOM 389 OD2 ASP A 56 -0.398 -8.743 1.210 1.00 0.00 ATOM 390 O ASP A 56 3.458 -5.622 1.530 1.00 0.00 ATOM 391 C ASP A 56 3.350 -6.843 1.388 1.00 0.00 ATOM 392 N GLN A 57 3.815 -7.479 0.301 1.00 0.00 ATOM 393 CA GLN A 57 4.369 -6.749 -0.864 1.00 0.00 ATOM 394 CB GLN A 57 5.233 -7.679 -1.718 1.00 0.00 ATOM 395 CG GLN A 57 5.874 -7.003 -2.919 1.00 0.00 ATOM 396 CD GLN A 57 6.822 -7.919 -3.667 1.00 0.00 ATOM 397 OE1 GLN A 57 7.040 -9.063 -3.266 1.00 0.00 ATOM 398 NE2 GLN A 57 7.390 -7.418 -4.758 1.00 0.00 ATOM 399 O GLN A 57 2.355 -6.962 -2.204 1.00 0.00 ATOM 400 C GLN A 57 3.207 -6.201 -1.737 1.00 0.00 ATOM 401 N ILE A 58 3.218 -4.884 -1.991 1.00 0.00 ATOM 402 CA ILE A 58 2.340 -4.262 -3.018 1.00 0.00 ATOM 403 CB ILE A 58 2.011 -2.799 -2.668 1.00 0.00 ATOM 404 CG1 ILE A 58 1.262 -2.725 -1.335 1.00 0.00 ATOM 405 CG2 ILE A 58 1.137 -2.177 -3.746 1.00 0.00 ATOM 406 CD1 ILE A 58 1.097 -1.318 -0.805 1.00 0.00 ATOM 407 O ILE A 58 4.230 -3.773 -4.494 1.00 0.00 ATOM 408 C ILE A 58 3.135 -4.332 -4.359 1.00 0.00 ATOM 409 N ILE A 59 2.548 -5.030 -5.338 1.00 0.00 ATOM 410 CA ILE A 59 3.115 -5.167 -6.710 1.00 0.00 ATOM 411 CB ILE A 59 2.666 -6.480 -7.378 1.00 0.00 ATOM 412 CG1 ILE A 59 3.201 -7.684 -6.600 1.00 0.00 ATOM 413 CG2 ILE A 59 3.188 -6.558 -8.804 1.00 0.00 ATOM 414 CD1 ILE A 59 2.616 -9.007 -7.044 1.00 0.00 ATOM 415 O ILE A 59 3.484 -3.274 -8.148 1.00 0.00 ATOM 416 C ILE A 59 2.634 -3.974 -7.595 1.00 0.00 ATOM 417 N ALA A 60 1.308 -3.772 -7.752 1.00 0.00 ATOM 418 CA ALA A 60 0.742 -2.685 -8.586 1.00 0.00 ATOM 419 CB ALA A 60 -0.008 -3.265 -9.776 1.00 0.00 ATOM 420 O ALA A 60 -0.976 -2.274 -6.905 1.00 0.00 ATOM 421 C ALA A 60 -0.253 -1.798 -7.786 1.00 0.00 ATOM 422 N VAL A 61 -0.316 -0.506 -8.155 1.00 0.00 ATOM 423 CA VAL A 61 -1.450 0.397 -7.795 1.00 0.00 ATOM 424 CB VAL A 61 -0.958 1.652 -7.050 1.00 0.00 ATOM 425 CG1 VAL A 61 -2.125 2.572 -6.727 1.00 0.00 ATOM 426 CG2 VAL A 61 -0.277 1.264 -5.746 1.00 0.00 ATOM 427 O VAL A 61 -1.495 1.450 -9.995 1.00 0.00 ATOM 428 C VAL A 61 -2.108 0.786 -9.151 1.00 0.00 ATOM 429 N ASP A 62 -3.373 0.366 -9.327 1.00 0.00 ATOM 430 CA ASP A 62 -4.203 0.643 -10.540 1.00 0.00 ATOM 431 CB ASP A 62 -4.356 2.151 -10.752 1.00 0.00 ATOM 432 CG ASP A 62 -5.122 2.822 -9.630 1.00 0.00 ATOM 433 OD1 ASP A 62 -6.221 2.337 -9.288 1.00 0.00 ATOM 434 OD2 ASP A 62 -4.624 3.833 -9.092 1.00 0.00 ATOM 435 O ASP A 62 -3.639 0.744 -12.918 1.00 0.00 ATOM 436 C ASP A 62 -3.622 0.070 -11.883 1.00 0.00 ATOM 437 N GLY A 63 -3.082 -1.170 -11.860 1.00 0.00 ATOM 438 CA GLY A 63 -2.276 -1.712 -12.986 1.00 0.00 ATOM 439 O GLY A 63 -0.054 -1.918 -13.869 1.00 0.00 ATOM 440 C GLY A 63 -0.802 -1.241 -13.159 1.00 0.00 ATOM 441 N THR A 64 -0.380 -0.112 -12.552 1.00 0.00 ATOM 442 CA THR A 64 0.987 0.458 -12.718 1.00 0.00 ATOM 443 CB THR A 64 1.001 1.976 -12.457 1.00 0.00 ATOM 444 CG2 THR A 64 2.409 2.530 -12.613 1.00 0.00 ATOM 445 OG1 THR A 64 0.138 2.632 -13.394 1.00 0.00 ATOM 446 O THR A 64 1.745 -0.173 -10.498 1.00 0.00 ATOM 447 C THR A 64 1.960 -0.222 -11.713 1.00 0.00 ATOM 448 N ASN A 65 3.053 -0.805 -12.237 1.00 0.00 ATOM 449 CA ASN A 65 4.055 -1.539 -11.416 1.00 0.00 ATOM 450 CB ASN A 65 5.047 -2.278 -12.316 1.00 0.00 ATOM 451 CG ASN A 65 4.407 -3.428 -13.068 1.00 0.00 ATOM 452 ND2 ASN A 65 5.015 -3.814 -14.184 1.00 0.00 ATOM 453 OD1 ASN A 65 3.380 -3.961 -12.649 1.00 0.00 ATOM 454 O ASN A 65 5.391 0.447 -10.925 1.00 0.00 ATOM 455 C ASN A 65 4.879 -0.592 -10.494 1.00 0.00 ATOM 456 N LEU A 66 5.017 -1.002 -9.226 1.00 0.00 ATOM 457 CA LEU A 66 5.794 -0.252 -8.198 1.00 0.00 ATOM 458 CB LEU A 66 5.201 -0.480 -6.806 1.00 0.00 ATOM 459 CG LEU A 66 3.753 -0.028 -6.604 1.00 0.00 ATOM 460 CD1 LEU A 66 3.265 -0.396 -5.211 1.00 0.00 ATOM 461 CD2 LEU A 66 3.633 1.479 -6.767 1.00 0.00 ATOM 462 O LEU A 66 7.951 -0.303 -7.070 1.00 0.00 ATOM 463 C LEU A 66 7.316 -0.634 -8.079 1.00 0.00 ATOM 464 N GLN A 67 7.923 -1.287 -9.096 1.00 0.00 ATOM 465 CA GLN A 67 9.340 -1.734 -9.066 1.00 0.00 ATOM 466 CB GLN A 67 9.595 -2.779 -10.154 1.00 0.00 ATOM 467 CG GLN A 67 11.012 -3.330 -10.165 1.00 0.00 ATOM 468 CD GLN A 67 11.206 -4.419 -11.202 1.00 0.00 ATOM 469 OE1 GLN A 67 10.281 -4.757 -11.941 1.00 0.00 ATOM 470 NE2 GLN A 67 12.412 -4.971 -11.261 1.00 0.00 ATOM 471 O GLN A 67 10.244 0.122 -10.357 1.00 0.00 ATOM 472 C GLN A 67 10.293 -0.528 -9.307 1.00 0.00 ATOM 473 N GLY A 68 11.132 -0.229 -8.302 1.00 0.00 ATOM 474 CA GLY A 68 11.952 1.010 -8.302 1.00 0.00 ATOM 475 O GLY A 68 11.938 3.393 -8.058 1.00 0.00 ATOM 476 C GLY A 68 11.266 2.363 -7.969 1.00 0.00 ATOM 477 N PHE A 69 9.981 2.381 -7.555 1.00 0.00 ATOM 478 CA PHE A 69 9.316 3.597 -7.013 1.00 0.00 ATOM 479 CB PHE A 69 7.795 3.451 -7.081 1.00 0.00 ATOM 480 CG PHE A 69 7.241 3.517 -8.476 1.00 0.00 ATOM 481 CD1 PHE A 69 8.036 3.923 -9.533 1.00 0.00 ATOM 482 CD2 PHE A 69 5.925 3.173 -8.731 1.00 0.00 ATOM 483 CE1 PHE A 69 7.527 3.984 -10.816 1.00 0.00 ATOM 484 CE2 PHE A 69 5.416 3.233 -10.014 1.00 0.00 ATOM 485 CZ PHE A 69 6.211 3.637 -11.055 1.00 0.00 ATOM 486 O PHE A 69 9.832 2.830 -4.771 1.00 0.00 ATOM 487 C PHE A 69 9.740 3.797 -5.533 1.00 0.00 ATOM 488 N THR A 70 9.959 5.059 -5.132 1.00 0.00 ATOM 489 CA THR A 70 10.304 5.411 -3.722 1.00 0.00 ATOM 490 CB THR A 70 10.837 6.852 -3.614 1.00 0.00 ATOM 491 CG2 THR A 70 12.056 7.037 -4.504 1.00 0.00 ATOM 492 OG1 THR A 70 9.819 7.773 -4.025 1.00 0.00 ATOM 493 O THR A 70 7.913 5.206 -3.218 1.00 0.00 ATOM 494 C THR A 70 9.062 5.306 -2.769 1.00 0.00 ATOM 495 N ASN A 71 9.290 5.394 -1.440 1.00 0.00 ATOM 496 CA ASN A 71 8.215 5.705 -0.441 1.00 0.00 ATOM 497 CB ASN A 71 8.830 6.060 0.914 1.00 0.00 ATOM 498 CG ASN A 71 7.782 6.310 1.981 1.00 0.00 ATOM 499 ND2 ASN A 71 7.729 7.540 2.479 1.00 0.00 ATOM 500 OD1 ASN A 71 7.032 5.408 2.352 1.00 0.00 ATOM 501 O ASN A 71 6.074 6.757 -0.907 1.00 0.00 ATOM 502 C ASN A 71 7.294 6.911 -0.842 1.00 0.00 ATOM 503 N GLN A 72 7.904 8.073 -1.127 1.00 0.00 ATOM 504 CA GLN A 72 7.188 9.309 -1.540 1.00 0.00 ATOM 505 CB GLN A 72 8.169 10.474 -1.685 1.00 0.00 ATOM 506 CG GLN A 72 8.732 10.980 -0.366 1.00 0.00 ATOM 507 CD GLN A 72 9.784 12.055 -0.556 1.00 0.00 ATOM 508 OE1 GLN A 72 10.167 12.370 -1.682 1.00 0.00 ATOM 509 NE2 GLN A 72 10.253 12.622 0.549 1.00 0.00 ATOM 510 O GLN A 72 5.274 9.607 -2.968 1.00 0.00 ATOM 511 C GLN A 72 6.434 9.200 -2.905 1.00 0.00 ATOM 512 N GLN A 73 7.052 8.625 -3.962 1.00 0.00 ATOM 513 CA GLN A 73 6.393 8.375 -5.279 1.00 0.00 ATOM 514 CB GLN A 73 7.369 7.706 -6.248 1.00 0.00 ATOM 515 CG GLN A 73 8.483 8.618 -6.736 1.00 0.00 ATOM 516 CD GLN A 73 9.504 7.888 -7.586 1.00 0.00 ATOM 517 OE1 GLN A 73 9.429 6.671 -7.755 1.00 0.00 ATOM 518 NE2 GLN A 73 10.463 8.631 -8.126 1.00 0.00 ATOM 519 O GLN A 73 4.085 7.849 -5.716 1.00 0.00 ATOM 520 C GLN A 73 5.139 7.450 -5.222 1.00 0.00 ATOM 521 N ALA A 74 5.234 6.248 -4.619 1.00 0.00 ATOM 522 CA ALA A 74 4.065 5.351 -4.408 1.00 0.00 ATOM 523 CB ALA A 74 4.511 4.036 -3.788 1.00 0.00 ATOM 524 O ALA A 74 1.761 5.592 -3.739 1.00 0.00 ATOM 525 C ALA A 74 2.929 5.882 -3.469 1.00 0.00 ATOM 526 N VAL A 75 3.236 6.700 -2.434 1.00 0.00 ATOM 527 CA VAL A 75 2.219 7.529 -1.707 1.00 0.00 ATOM 528 CB VAL A 75 2.851 8.289 -0.526 1.00 0.00 ATOM 529 CG1 VAL A 75 1.853 9.271 0.070 1.00 0.00 ATOM 530 CG2 VAL A 75 3.280 7.319 0.564 1.00 0.00 ATOM 531 O VAL A 75 0.321 8.704 -2.612 1.00 0.00 ATOM 532 C VAL A 75 1.547 8.605 -2.634 1.00 0.00 ATOM 533 N GLU A 76 2.306 9.385 -3.433 1.00 0.00 ATOM 534 CA GLU A 76 1.747 10.329 -4.451 1.00 0.00 ATOM 535 CB GLU A 76 2.876 11.012 -5.225 1.00 0.00 ATOM 536 CG GLU A 76 3.666 12.022 -4.408 1.00 0.00 ATOM 537 CD GLU A 76 4.850 12.587 -5.167 1.00 0.00 ATOM 538 OE1 GLU A 76 5.097 12.135 -6.305 1.00 0.00 ATOM 539 OE2 GLU A 76 5.532 13.481 -4.624 1.00 0.00 ATOM 540 O GLU A 76 -0.224 10.270 -5.839 1.00 0.00 ATOM 541 C GLU A 76 0.819 9.688 -5.537 1.00 0.00 ATOM 542 N VAL A 77 1.143 8.489 -6.072 1.00 0.00 ATOM 543 CA VAL A 77 0.204 7.666 -6.906 1.00 0.00 ATOM 544 CB VAL A 77 0.828 6.310 -7.286 1.00 0.00 ATOM 545 CG1 VAL A 77 -0.206 5.418 -7.956 1.00 0.00 ATOM 546 CG2 VAL A 77 1.988 6.509 -8.250 1.00 0.00 ATOM 547 O VAL A 77 -2.205 7.640 -6.720 1.00 0.00 ATOM 548 C VAL A 77 -1.144 7.354 -6.163 1.00 0.00 ATOM 549 N LEU A 78 -1.097 6.821 -4.924 1.00 0.00 ATOM 550 CA LEU A 78 -2.294 6.647 -4.049 1.00 0.00 ATOM 551 CB LEU A 78 -1.887 6.067 -2.693 1.00 0.00 ATOM 552 CG LEU A 78 -1.408 4.614 -2.693 1.00 0.00 ATOM 553 CD1 LEU A 78 -0.867 4.226 -1.326 1.00 0.00 ATOM 554 CD2 LEU A 78 -2.551 3.671 -3.037 1.00 0.00 ATOM 555 O LEU A 78 -4.333 7.899 -3.724 1.00 0.00 ATOM 556 C LEU A 78 -3.102 7.951 -3.722 1.00 0.00 ATOM 557 N ARG A 79 -2.436 9.100 -3.473 1.00 0.00 ATOM 558 CA ARG A 79 -3.090 10.437 -3.344 1.00 0.00 ATOM 559 CB ARG A 79 -2.051 11.512 -3.019 1.00 0.00 ATOM 560 CG ARG A 79 -1.479 11.418 -1.614 1.00 0.00 ATOM 561 CD ARG A 79 -0.422 12.484 -1.375 1.00 0.00 ATOM 562 NE ARG A 79 0.174 12.376 -0.046 1.00 0.00 ATOM 563 CZ ARG A 79 1.159 13.151 0.396 1.00 0.00 ATOM 564 NH1 ARG A 79 1.639 12.980 1.620 1.00 0.00 ATOM 565 NH2 ARG A 79 1.663 14.095 -0.388 1.00 0.00 ATOM 566 O ARG A 79 -4.966 11.419 -4.491 1.00 0.00 ATOM 567 C ARG A 79 -3.838 10.933 -4.620 1.00 0.00 ATOM 568 N HIS A 80 -3.226 10.841 -5.820 1.00 0.00 ATOM 569 CA HIS A 80 -3.798 11.420 -7.070 1.00 0.00 ATOM 570 CB HIS A 80 -2.680 11.857 -8.019 1.00 0.00 ATOM 571 CG HIS A 80 -1.790 12.920 -7.455 1.00 0.00 ATOM 572 CD2 HIS A 80 -0.413 12.982 -6.987 1.00 0.00 ATOM 573 ND1 HIS A 80 -2.212 14.218 -7.262 1.00 0.00 ATOM 574 CE1 HIS A 80 -1.198 14.936 -6.746 1.00 0.00 ATOM 575 NE2 HIS A 80 -0.116 14.200 -6.579 1.00 0.00 ATOM 576 O HIS A 80 -4.349 9.854 -8.880 1.00 0.00 ATOM 577 C HIS A 80 -4.687 10.370 -7.810 1.00 0.00 ATOM 578 N THR A 81 -5.845 10.077 -7.194 1.00 0.00 ATOM 579 CA THR A 81 -6.881 9.144 -7.725 1.00 0.00 ATOM 580 CB THR A 81 -6.901 7.818 -6.942 1.00 0.00 ATOM 581 CG2 THR A 81 -5.516 7.190 -6.922 1.00 0.00 ATOM 582 OG1 THR A 81 -7.319 8.062 -5.593 1.00 0.00 ATOM 583 O THR A 81 -8.393 11.035 -7.270 1.00 0.00 ATOM 584 C THR A 81 -8.286 9.843 -7.592 1.00 0.00 ATOM 585 N GLY A 82 -9.381 9.099 -7.834 1.00 0.00 ATOM 586 CA GLY A 82 -10.755 9.584 -7.555 1.00 0.00 ATOM 587 O GLY A 82 -10.884 9.298 -5.161 1.00 0.00 ATOM 588 C GLY A 82 -11.318 8.958 -6.266 1.00 0.00 ATOM 589 N GLN A 83 -12.287 8.048 -6.434 1.00 0.00 ATOM 590 CA GLN A 83 -12.970 7.357 -5.303 1.00 0.00 ATOM 591 CB GLN A 83 -14.440 7.099 -5.642 1.00 0.00 ATOM 592 CG GLN A 83 -15.265 8.362 -5.825 1.00 0.00 ATOM 593 CD GLN A 83 -15.309 9.217 -4.574 1.00 0.00 ATOM 594 OE1 GLN A 83 -15.580 8.720 -3.481 1.00 0.00 ATOM 595 NE2 GLN A 83 -15.040 10.508 -4.731 1.00 0.00 ATOM 596 O GLN A 83 -11.899 5.770 -3.834 1.00 0.00 ATOM 597 C GLN A 83 -12.313 5.982 -4.975 1.00 0.00 ATOM 598 N THR A 84 -12.257 5.051 -5.950 1.00 0.00 ATOM 599 CA THR A 84 -11.827 3.645 -5.723 1.00 0.00 ATOM 600 CB THR A 84 -12.737 2.650 -6.467 1.00 0.00 ATOM 601 CG2 THR A 84 -12.258 1.223 -6.245 1.00 0.00 ATOM 602 OG1 THR A 84 -14.079 2.769 -5.980 1.00 0.00 ATOM 603 O THR A 84 -10.004 3.899 -7.328 1.00 0.00 ATOM 604 C THR A 84 -10.369 3.452 -6.235 1.00 0.00 ATOM 605 N VAL A 85 -9.560 2.750 -5.424 1.00 0.00 ATOM 606 CA VAL A 85 -8.141 2.433 -5.743 1.00 0.00 ATOM 607 CB VAL A 85 -7.179 3.057 -4.715 1.00 0.00 ATOM 608 CG1 VAL A 85 -5.740 2.682 -5.037 1.00 0.00 ATOM 609 CG2 VAL A 85 -7.295 4.573 -4.728 1.00 0.00 ATOM 610 O VAL A 85 -8.319 0.225 -4.713 1.00 0.00 ATOM 611 C VAL A 85 -8.008 0.878 -5.717 1.00 0.00 ATOM 612 N LEU A 86 -7.495 0.305 -6.819 1.00 0.00 ATOM 613 CA LEU A 86 -7.182 -1.147 -6.913 1.00 0.00 ATOM 614 CB LEU A 86 -7.438 -1.660 -8.332 1.00 0.00 ATOM 615 CG LEU A 86 -8.875 -1.547 -8.844 1.00 0.00 ATOM 616 CD1 LEU A 86 -8.967 -2.004 -10.292 1.00 0.00 ATOM 617 CD2 LEU A 86 -9.812 -2.411 -8.012 1.00 0.00 ATOM 618 O LEU A 86 -4.802 -0.726 -7.097 1.00 0.00 ATOM 619 C LEU A 86 -5.688 -1.391 -6.556 1.00 0.00 ATOM 620 N LEU A 87 -5.408 -2.356 -5.662 1.00 0.00 ATOM 621 CA LEU A 87 -4.018 -2.822 -5.378 1.00 0.00 ATOM 622 CB LEU A 87 -3.689 -2.652 -3.894 1.00 0.00 ATOM 623 CG LEU A 87 -3.751 -1.225 -3.344 1.00 0.00 ATOM 624 CD1 LEU A 87 -3.531 -1.219 -1.839 1.00 0.00 ATOM 625 CD2 LEU A 87 -2.681 -0.355 -3.985 1.00 0.00 ATOM 626 O LEU A 87 -4.749 -5.142 -5.368 1.00 0.00 ATOM 627 C LEU A 87 -3.909 -4.326 -5.762 1.00 0.00 ATOM 628 N THR A 88 -2.813 -4.695 -6.452 1.00 0.00 ATOM 629 CA THR A 88 -2.371 -6.116 -6.551 1.00 0.00 ATOM 630 CB THR A 88 -1.659 -6.394 -7.888 1.00 0.00 ATOM 631 CG2 THR A 88 -1.201 -7.843 -7.957 1.00 0.00 ATOM 632 OG1 THR A 88 -2.559 -6.140 -8.974 1.00 0.00 ATOM 633 O THR A 88 -0.354 -5.712 -5.250 1.00 0.00 ATOM 634 C THR A 88 -1.387 -6.380 -5.371 1.00 0.00 ATOM 635 N LEU A 89 -1.726 -7.358 -4.518 1.00 0.00 ATOM 636 CA LEU A 89 -0.910 -7.731 -3.333 1.00 0.00 ATOM 637 CB LEU A 89 -1.760 -7.686 -2.062 1.00 0.00 ATOM 638 CG LEU A 89 -2.389 -6.336 -1.714 1.00 0.00 ATOM 639 CD1 LEU A 89 -3.274 -6.456 -0.482 1.00 0.00 ATOM 640 CD2 LEU A 89 -1.313 -5.300 -1.427 1.00 0.00 ATOM 641 O LEU A 89 -1.053 -10.094 -3.896 1.00 0.00 ATOM 642 C LEU A 89 -0.343 -9.169 -3.496 1.00 0.00 ATOM 643 N MET A 90 0.911 -9.368 -3.067 1.00 0.00 ATOM 644 CA MET A 90 1.391 -10.690 -2.583 1.00 0.00 ATOM 645 CB MET A 90 2.813 -10.959 -3.080 1.00 0.00 ATOM 646 CG MET A 90 3.361 -12.321 -2.688 1.00 0.00 ATOM 647 SD MET A 90 5.021 -12.614 -3.326 1.00 0.00 ATOM 648 CE MET A 90 4.665 -12.972 -5.044 1.00 0.00 ATOM 649 O MET A 90 1.939 -9.753 -0.402 1.00 0.00 ATOM 650 C MET A 90 1.370 -10.655 -1.027 1.00 0.00 ATOM 651 N ARG A 91 0.737 -11.667 -0.407 1.00 0.00 ATOM 652 CA ARG A 91 0.698 -11.802 1.073 1.00 0.00 ATOM 653 CB ARG A 91 -0.359 -12.827 1.490 1.00 0.00 ATOM 654 CG ARG A 91 -0.542 -12.953 2.994 1.00 0.00 ATOM 655 CD ARG A 91 -1.640 -13.947 3.335 1.00 0.00 ATOM 656 NE ARG A 91 -1.850 -14.058 4.776 1.00 0.00 ATOM 657 CZ ARG A 91 -2.756 -14.849 5.341 1.00 0.00 ATOM 658 NH1 ARG A 91 -2.875 -14.884 6.661 1.00 0.00 ATOM 659 NH2 ARG A 91 -3.541 -15.604 4.584 1.00 0.00 ATOM 660 O ARG A 91 2.612 -13.290 1.193 1.00 0.00 ATOM 661 C ARG A 91 2.075 -12.274 1.642 1.00 0.00 ATOM 662 N ARG A 92 2.586 -11.521 2.641 1.00 0.00 ATOM 663 CA ARG A 92 3.843 -11.786 3.411 1.00 0.00 ATOM 664 CB ARG A 92 3.523 -12.483 4.735 1.00 0.00 ATOM 665 CG ARG A 92 4.736 -12.718 5.621 1.00 0.00 ATOM 666 CD ARG A 92 4.335 -13.322 6.957 1.00 0.00 ATOM 667 NE ARG A 92 5.493 -13.590 7.807 1.00 0.00 ATOM 668 CZ ARG A 92 5.422 -14.134 9.017 1.00 0.00 ATOM 669 NH1 ARG A 92 6.528 -14.340 9.717 1.00 0.00 ATOM 670 NH2 ARG A 92 4.244 -14.471 9.524 1.00 0.00 ATOM 671 O ARG A 92 4.941 -13.912 2.945 1.00 0.00 ATOM 672 C ARG A 92 4.943 -12.689 2.761 1.00 0.00 ATOM 673 N GLY 93 5.857 -12.068 1.995 1.00 0.00 ATOM 674 CA GLY 93 6.947 -12.792 1.303 1.00 0.00 ENDMDL