USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 THR OG1 : rot 170:sc= -1.89! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.893 USER MOD Single : A 10 SER OG : rot 32:sc= 0.206 USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0798) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00068 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 5:sc= 0.597 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0828) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.157 4.035 7.980 1.00 15.00 N ATOM 162 CA SER A 10 63.340 2.796 8.163 1.00 15.00 C ATOM 163 C SER A 10 63.605 1.800 7.027 1.00 15.00 C ATOM 164 O SER A 10 63.946 2.181 5.922 1.00 15.00 O ATOM 165 CB SER A 10 61.889 3.272 8.128 1.00 15.00 C ATOM 166 OG SER A 10 61.682 4.227 9.160 1.00 15.00 O ATOM 0 HA SER A 10 63.582 2.281 9.093 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.663 3.714 7.158 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.214 2.426 8.259 1.00 15.00 H new ATOM 0 HG SER A 10 62.509 4.731 9.310 1.00 15.00 H new ATOM 172 N LYS A 11 63.448 0.527 7.303 1.00 15.00 N ATOM 173 CA LYS A 11 63.615 -0.517 6.238 1.00 15.00 C ATOM 174 C LYS A 11 62.361 -0.578 5.359 1.00 15.00 C ATOM 175 O LYS A 11 61.252 -0.666 5.856 1.00 15.00 O ATOM 176 CB LYS A 11 63.794 -1.842 6.989 1.00 15.00 C ATOM 177 CG LYS A 11 65.068 -1.796 7.837 1.00 15.00 C ATOM 178 CD LYS A 11 65.214 -3.109 8.609 1.00 15.00 C ATOM 179 CE LYS A 11 66.417 -3.017 9.552 1.00 15.00 C ATOM 180 NZ LYS A 11 67.602 -3.267 8.687 1.00 15.00 N ATOM 0 H LYS A 11 63.210 0.163 8.226 1.00 15.00 H new ATOM 0 HA LYS A 11 64.461 -0.300 5.586 1.00 15.00 H new ATOM 0 HB2 LYS A 11 62.930 -2.028 7.627 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.850 -2.667 6.279 1.00 15.00 H new ATOM 0 HG2 LYS A 11 65.937 -1.638 7.198 1.00 15.00 H new ATOM 0 HG3 LYS A 11 65.026 -0.956 8.531 1.00 15.00 H new ATOM 0 HD2 LYS A 11 64.307 -3.311 9.179 1.00 15.00 H new ATOM 0 HD3 LYS A 11 65.346 -3.939 7.914 1.00 15.00 H new ATOM 0 HE2 LYS A 11 66.473 -2.037 10.026 1.00 15.00 H new ATOM 0 HE3 LYS A 11 66.349 -3.754 10.352 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 68.074 -4.143 8.990 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 67.296 -3.363 7.698 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 68.265 -2.470 8.768 1.00 15.00 H new ATOM 194 N ILE A 12 62.528 -0.534 4.058 1.00 15.00 N ATOM 195 CA ILE A 12 61.345 -0.577 3.142 1.00 15.00 C ATOM 196 C ILE A 12 61.588 -1.594 2.020 1.00 15.00 C ATOM 197 O ILE A 12 62.708 -1.801 1.586 1.00 15.00 O ATOM 198 CB ILE A 12 61.207 0.847 2.576 1.00 15.00 C ATOM 199 CG1 ILE A 12 60.952 1.836 3.725 1.00 15.00 C ATOM 200 CG2 ILE A 12 60.029 0.903 1.593 1.00 15.00 C ATOM 201 CD1 ILE A 12 60.992 3.272 3.194 1.00 15.00 C ATOM 0 H ILE A 12 63.433 -0.470 3.592 1.00 15.00 H new ATOM 0 HA ILE A 12 60.436 -0.885 3.658 1.00 15.00 H new ATOM 0 HB ILE A 12 62.128 1.115 2.058 1.00 15.00 H new ATOM 0 HG12 ILE A 12 59.983 1.635 4.182 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.704 1.705 4.503 1.00 15.00 H new ATOM 0 HG21 ILE A 12 59.935 1.913 1.195 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.205 0.205 0.774 1.00 15.00 H new ATOM 0 HG23 ILE A 12 59.110 0.630 2.111 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.811 3.968 4.013 1.00 15.00 H new ATOM 0 HD12 ILE A 12 61.971 3.472 2.758 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.223 3.400 2.432 1.00 15.00 H new ATOM 213 N SER A 13 60.536 -2.225 1.556 1.00 15.00 N ATOM 214 CA SER A 13 60.655 -3.161 0.400 1.00 15.00 C ATOM 215 C SER A 13 59.844 -2.623 -0.781 1.00 15.00 C ATOM 216 O SER A 13 58.710 -2.207 -0.624 1.00 15.00 O ATOM 217 CB SER A 13 60.069 -4.482 0.898 1.00 15.00 C ATOM 218 OG SER A 13 60.252 -5.481 -0.097 1.00 15.00 O ATOM 0 H SER A 13 59.593 -2.129 1.934 1.00 15.00 H new ATOM 0 HA SER A 13 61.684 -3.280 0.059 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.556 -4.783 1.826 1.00 15.00 H new ATOM 0 HB3 SER A 13 59.008 -4.362 1.119 1.00 15.00 H new ATOM 0 HG SER A 13 59.879 -6.330 0.220 1.00 15.00 H new ATOM 224 N LEU A 14 60.418 -2.629 -1.956 1.00 15.00 N ATOM 225 CA LEU A 14 59.732 -2.033 -3.141 1.00 15.00 C ATOM 226 C LEU A 14 59.617 -3.066 -4.266 1.00 15.00 C ATOM 227 O LEU A 14 60.554 -3.789 -4.551 1.00 15.00 O ATOM 228 CB LEU A 14 60.636 -0.876 -3.569 1.00 15.00 C ATOM 229 CG LEU A 14 59.823 0.142 -4.369 1.00 15.00 C ATOM 230 CD1 LEU A 14 58.897 0.909 -3.423 1.00 15.00 C ATOM 231 CD2 LEU A 14 60.775 1.123 -5.056 1.00 15.00 C ATOM 0 H LEU A 14 61.339 -3.024 -2.147 1.00 15.00 H new ATOM 0 HA LEU A 14 58.719 -1.704 -2.912 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.073 -0.399 -2.692 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.463 -1.251 -4.172 1.00 15.00 H new ATOM 0 HG LEU A 14 59.227 -0.375 -5.121 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.316 1.635 -3.992 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.221 0.210 -2.930 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.493 1.428 -2.672 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.198 1.850 -5.627 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.369 1.642 -4.303 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.438 0.577 -5.728 1.00 15.00 H new ATOM 243 N ILE A 15 58.474 -3.137 -4.901 1.00 15.00 N ATOM 244 CA ILE A 15 58.299 -4.077 -6.052 1.00 15.00 C ATOM 245 C ILE A 15 58.218 -3.269 -7.350 1.00 15.00 C ATOM 246 O ILE A 15 57.361 -2.414 -7.500 1.00 15.00 O ATOM 247 CB ILE A 15 56.979 -4.820 -5.778 1.00 15.00 C ATOM 248 CG1 ILE A 15 57.080 -5.585 -4.452 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.700 -5.820 -6.907 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.687 -6.048 -4.019 1.00 15.00 C ATOM 0 H ILE A 15 57.650 -2.582 -4.671 1.00 15.00 H new ATOM 0 HA ILE A 15 59.126 -4.779 -6.156 1.00 15.00 H new ATOM 0 HB ILE A 15 56.170 -4.091 -5.724 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.741 -6.444 -4.566 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.517 -4.946 -3.684 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.765 -6.343 -6.707 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.623 -5.287 -7.854 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.514 -6.542 -6.963 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.761 -6.591 -3.077 1.00 15.00 H new ATOM 0 HD12 ILE A 15 55.040 -5.181 -3.888 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.267 -6.702 -4.783 1.00 15.00 H new ATOM 262 N SER A 16 59.102 -3.537 -8.282 1.00 15.00 N ATOM 263 CA SER A 16 59.210 -2.675 -9.499 1.00 15.00 C ATOM 264 C SER A 16 58.374 -3.245 -10.652 1.00 15.00 C ATOM 265 O SER A 16 57.837 -4.333 -10.565 1.00 15.00 O ATOM 266 CB SER A 16 60.696 -2.685 -9.862 1.00 15.00 C ATOM 267 OG SER A 16 61.387 -1.763 -9.030 1.00 15.00 O ATOM 0 H SER A 16 59.755 -4.320 -8.250 1.00 15.00 H new ATOM 0 HA SER A 16 58.836 -1.668 -9.314 1.00 15.00 H new ATOM 0 HB2 SER A 16 61.107 -3.687 -9.735 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.828 -2.417 -10.910 1.00 15.00 H new ATOM 0 HG SER A 16 62.340 -1.767 -9.258 1.00 15.00 H new ATOM 273 N LYS A 17 58.267 -2.509 -11.734 1.00 15.00 N ATOM 274 CA LYS A 17 57.420 -2.960 -12.892 1.00 15.00 C ATOM 275 C LYS A 17 57.906 -4.308 -13.454 1.00 15.00 C ATOM 276 O LYS A 17 57.166 -5.002 -14.126 1.00 15.00 O ATOM 277 CB LYS A 17 57.568 -1.864 -13.953 1.00 15.00 C ATOM 278 CG LYS A 17 56.542 -2.085 -15.065 1.00 15.00 C ATOM 279 CD LYS A 17 56.738 -1.032 -16.157 1.00 15.00 C ATOM 280 CE LYS A 17 55.600 -1.132 -17.176 1.00 15.00 C ATOM 281 NZ LYS A 17 55.873 -0.054 -18.165 1.00 15.00 N ATOM 0 H LYS A 17 58.731 -1.611 -11.868 1.00 15.00 H new ATOM 0 HA LYS A 17 56.384 -3.108 -12.587 1.00 15.00 H new ATOM 0 HB2 LYS A 17 57.423 -0.883 -13.500 1.00 15.00 H new ATOM 0 HB3 LYS A 17 58.576 -1.878 -14.367 1.00 15.00 H new ATOM 0 HG2 LYS A 17 56.654 -3.085 -15.485 1.00 15.00 H new ATOM 0 HG3 LYS A 17 55.532 -2.021 -14.660 1.00 15.00 H new ATOM 0 HD2 LYS A 17 56.758 -0.035 -15.716 1.00 15.00 H new ATOM 0 HD3 LYS A 17 57.697 -1.181 -16.652 1.00 15.00 H new ATOM 0 HE2 LYS A 17 55.583 -2.111 -17.654 1.00 15.00 H new ATOM 0 HE3 LYS A 17 54.630 -0.994 -16.699 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 55.134 -0.059 -18.897 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 55.876 0.867 -17.682 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 56.800 -0.216 -18.608 1.00 15.00 H new ATOM 295 N ALA A 18 59.137 -4.682 -13.185 1.00 15.00 N ATOM 296 CA ALA A 18 59.675 -5.965 -13.743 1.00 15.00 C ATOM 297 C ALA A 18 59.419 -7.141 -12.785 1.00 15.00 C ATOM 298 O ALA A 18 60.035 -8.182 -12.907 1.00 15.00 O ATOM 299 CB ALA A 18 61.178 -5.728 -13.902 1.00 15.00 C ATOM 0 H ALA A 18 59.790 -4.155 -12.605 1.00 15.00 H new ATOM 0 HA ALA A 18 59.192 -6.225 -14.685 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.647 -6.625 -14.307 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.345 -4.893 -14.582 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.615 -5.498 -12.930 1.00 15.00 H new ATOM 305 N GLU A 19 58.517 -6.985 -11.833 1.00 15.00 N ATOM 306 CA GLU A 19 58.161 -8.108 -10.896 1.00 15.00 C ATOM 307 C GLU A 19 59.401 -8.604 -10.142 1.00 15.00 C ATOM 308 O GLU A 19 59.480 -9.755 -9.752 1.00 15.00 O ATOM 309 CB GLU A 19 57.568 -9.226 -11.768 1.00 15.00 C ATOM 310 CG GLU A 19 56.279 -8.732 -12.428 1.00 15.00 C ATOM 311 CD GLU A 19 55.722 -9.823 -13.345 1.00 15.00 C ATOM 312 OE1 GLU A 19 56.311 -10.049 -14.389 1.00 15.00 O ATOM 313 OE2 GLU A 19 54.718 -10.414 -12.986 1.00 15.00 O ATOM 0 H GLU A 19 58.008 -6.117 -11.665 1.00 15.00 H new ATOM 0 HA GLU A 19 57.448 -7.778 -10.141 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.287 -9.527 -12.530 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.363 -10.106 -11.159 1.00 15.00 H new ATOM 0 HG2 GLU A 19 55.544 -8.473 -11.666 1.00 15.00 H new ATOM 0 HG3 GLU A 19 56.476 -7.826 -13.001 1.00 15.00 H new ATOM 320 N ILE A 20 60.367 -7.741 -9.936 1.00 15.00 N ATOM 321 CA ILE A 20 61.532 -8.095 -9.068 1.00 15.00 C ATOM 322 C ILE A 20 61.390 -7.378 -7.720 1.00 15.00 C ATOM 323 O ILE A 20 60.858 -6.283 -7.648 1.00 15.00 O ATOM 324 CB ILE A 20 62.777 -7.603 -9.824 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.884 -8.325 -11.171 1.00 15.00 C ATOM 326 CG2 ILE A 20 64.035 -7.898 -9.001 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.902 -7.603 -12.058 1.00 15.00 C ATOM 0 H ILE A 20 60.398 -6.802 -10.334 1.00 15.00 H new ATOM 0 HA ILE A 20 61.597 -9.164 -8.866 1.00 15.00 H new ATOM 0 HB ILE A 20 62.688 -6.529 -9.987 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.189 -9.360 -11.018 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.911 -8.349 -11.661 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.914 -7.547 -9.542 1.00 15.00 H new ATOM 0 HG22 ILE A 20 63.971 -7.385 -8.041 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.117 -8.972 -8.834 1.00 15.00 H new ATOM 0 HD11 ILE A 20 63.978 -8.117 -13.016 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.578 -6.575 -12.222 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.876 -7.602 -11.568 1.00 15.00 H new ATOM 339 N ARG A 21 61.862 -7.987 -6.660 1.00 15.00 N ATOM 340 CA ARG A 21 61.720 -7.370 -5.307 1.00 15.00 C ATOM 341 C ARG A 21 63.066 -6.815 -4.829 1.00 15.00 C ATOM 342 O ARG A 21 64.041 -7.536 -4.720 1.00 15.00 O ATOM 343 CB ARG A 21 61.257 -8.509 -4.399 1.00 15.00 C ATOM 344 CG ARG A 21 60.838 -7.942 -3.040 1.00 15.00 C ATOM 345 CD ARG A 21 60.473 -9.092 -2.095 1.00 15.00 C ATOM 346 NE ARG A 21 59.189 -9.655 -2.629 1.00 15.00 N ATOM 347 CZ ARG A 21 58.421 -10.435 -1.892 1.00 15.00 C ATOM 348 NH1 ARG A 21 58.748 -10.759 -0.660 1.00 15.00 N ATOM 349 NH2 ARG A 21 57.312 -10.899 -2.399 1.00 15.00 N ATOM 0 H ARG A 21 62.341 -8.888 -6.675 1.00 15.00 H new ATOM 0 HA ARG A 21 61.018 -6.536 -5.307 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.421 -9.037 -4.858 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.060 -9.235 -4.270 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.650 -7.352 -2.615 1.00 15.00 H new ATOM 0 HG3 ARG A 21 59.986 -7.272 -3.161 1.00 15.00 H new ATOM 0 HD2 ARG A 21 61.257 -9.849 -2.077 1.00 15.00 H new ATOM 0 HD3 ARG A 21 60.350 -8.736 -1.072 1.00 15.00 H new ATOM 0 HE ARG A 21 58.904 -9.430 -3.582 1.00 15.00 H new ATOM 0 HH11 ARG A 21 59.614 -10.405 -0.252 1.00 15.00 H new ATOM 0 HH12 ARG A 21 58.136 -11.364 -0.112 1.00 15.00 H new ATOM 0 HH21 ARG A 21 57.048 -10.658 -3.354 1.00 15.00 H new ATOM 0 HH22 ARG A 21 56.709 -11.503 -1.840 1.00 15.00 H new ATOM 363 N TYR A 22 63.118 -5.536 -4.545 1.00 15.00 N ATOM 364 CA TYR A 22 64.367 -4.924 -4.000 1.00 15.00 C ATOM 365 C TYR A 22 64.139 -4.486 -2.551 1.00 15.00 C ATOM 366 O TYR A 22 63.113 -3.920 -2.227 1.00 15.00 O ATOM 367 CB TYR A 22 64.627 -3.696 -4.876 1.00 15.00 C ATOM 368 CG TYR A 22 65.023 -4.024 -6.296 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.392 -4.151 -6.637 1.00 15.00 C ATOM 370 CD2 TYR A 22 64.028 -4.192 -7.290 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.765 -4.447 -7.971 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.399 -4.488 -8.623 1.00 15.00 C ATOM 373 CZ TYR A 22 65.768 -4.615 -8.964 1.00 15.00 C ATOM 374 OH TYR A 22 66.131 -4.903 -10.264 1.00 15.00 O ATOM 0 H TYR A 22 62.342 -4.886 -4.669 1.00 15.00 H new ATOM 0 HA TYR A 22 65.205 -5.621 -4.010 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.729 -3.079 -4.894 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.415 -3.098 -4.419 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.151 -4.022 -5.880 1.00 15.00 H new ATOM 0 HD2 TYR A 22 62.984 -4.094 -7.030 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.809 -4.545 -8.231 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.639 -4.617 -9.380 1.00 15.00 H new ATOM 0 HH TYR A 22 65.326 -4.988 -10.817 1.00 15.00 H new ATOM 384 N GLU A 23 65.083 -4.744 -1.680 1.00 15.00 N ATOM 385 CA GLU A 23 64.974 -4.233 -0.278 1.00 15.00 C ATOM 386 C GLU A 23 66.141 -3.290 0.020 1.00 15.00 C ATOM 387 O GLU A 23 67.260 -3.535 -0.387 1.00 15.00 O ATOM 388 CB GLU A 23 65.048 -5.477 0.608 1.00 15.00 C ATOM 389 CG GLU A 23 64.729 -5.096 2.054 1.00 15.00 C ATOM 390 CD GLU A 23 64.891 -6.322 2.955 1.00 15.00 C ATOM 391 OE1 GLU A 23 65.949 -6.461 3.547 1.00 15.00 O ATOM 392 OE2 GLU A 23 63.955 -7.100 3.037 1.00 15.00 O ATOM 0 H GLU A 23 65.924 -5.286 -1.879 1.00 15.00 H new ATOM 0 HA GLU A 23 64.054 -3.673 -0.109 1.00 15.00 H new ATOM 0 HB2 GLU A 23 64.343 -6.230 0.255 1.00 15.00 H new ATOM 0 HB3 GLU A 23 66.042 -5.920 0.549 1.00 15.00 H new ATOM 0 HG2 GLU A 23 65.393 -4.298 2.386 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.711 -4.713 2.124 1.00 15.00 H new ATOM 399 N GLY A 24 65.883 -2.221 0.731 1.00 15.00 N ATOM 400 CA GLY A 24 66.967 -1.249 1.061 1.00 15.00 C ATOM 401 C GLY A 24 66.483 -0.318 2.173 1.00 15.00 C ATOM 402 O GLY A 24 65.374 -0.452 2.658 1.00 15.00 O ATOM 0 H GLY A 24 64.963 -1.980 1.098 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.864 -1.780 1.379 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.236 -0.671 0.177 1.00 15.00 H new ATOM 406 N ILE A 25 67.301 0.622 2.580 1.00 15.00 N ATOM 407 CA ILE A 25 66.876 1.567 3.662 1.00 15.00 C ATOM 408 C ILE A 25 66.581 2.941 3.055 1.00 15.00 C ATOM 409 O ILE A 25 67.297 3.408 2.188 1.00 15.00 O ATOM 410 CB ILE A 25 68.054 1.662 4.650 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.631 0.264 4.969 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.569 2.319 5.947 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.541 -0.659 5.529 1.00 15.00 C ATOM 0 H ILE A 25 68.240 0.776 2.213 1.00 15.00 H new ATOM 0 HA ILE A 25 65.973 1.221 4.165 1.00 15.00 H new ATOM 0 HB ILE A 25 68.842 2.260 4.192 1.00 15.00 H new ATOM 0 HG12 ILE A 25 69.056 -0.174 4.066 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.442 0.356 5.691 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.398 2.389 6.651 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.192 3.318 5.730 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.772 1.717 6.384 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.969 -1.637 5.746 1.00 15.00 H new ATOM 0 HD12 ILE A 25 67.135 -0.229 6.445 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.743 -0.767 4.794 1.00 15.00 H new ATOM 425 N LEU A 26 65.534 3.588 3.505 1.00 15.00 N ATOM 426 CA LEU A 26 65.163 4.921 2.927 1.00 15.00 C ATOM 427 C LEU A 26 66.240 5.958 3.253 1.00 15.00 C ATOM 428 O LEU A 26 66.458 6.289 4.403 1.00 15.00 O ATOM 429 CB LEU A 26 63.840 5.301 3.593 1.00 15.00 C ATOM 430 CG LEU A 26 63.150 6.390 2.770 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.489 5.763 1.541 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.084 7.075 3.628 1.00 15.00 C ATOM 0 H LEU A 26 64.920 3.253 4.247 1.00 15.00 H new ATOM 0 HA LEU A 26 65.073 4.882 1.841 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.195 4.426 3.671 1.00 15.00 H new ATOM 0 HB3 LEU A 26 64.020 5.656 4.608 1.00 15.00 H new ATOM 0 HG LEU A 26 63.888 7.125 2.448 1.00 15.00 H new ATOM 0 HD11 LEU A 26 61.998 6.540 0.956 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.247 5.273 0.930 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.750 5.028 1.860 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.591 7.852 3.044 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.347 6.339 3.949 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.554 7.523 4.503 1.00 15.00 H new ATOM 444 N TYR A 27 66.907 6.469 2.248 1.00 15.00 N ATOM 445 CA TYR A 27 67.993 7.465 2.487 1.00 15.00 C ATOM 446 C TYR A 27 67.466 8.888 2.285 1.00 15.00 C ATOM 447 O TYR A 27 67.622 9.740 3.141 1.00 15.00 O ATOM 448 CB TYR A 27 69.067 7.137 1.448 1.00 15.00 C ATOM 449 CG TYR A 27 70.304 7.994 1.571 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.052 7.986 2.773 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.714 8.806 0.486 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.212 8.791 2.891 1.00 15.00 C ATOM 453 CE2 TYR A 27 71.873 9.612 0.605 1.00 15.00 C ATOM 454 CZ TYR A 27 72.622 9.604 1.806 1.00 15.00 C ATOM 455 OH TYR A 27 73.752 10.389 1.921 1.00 15.00 O ATOM 0 H TYR A 27 66.744 6.237 1.268 1.00 15.00 H new ATOM 0 HA TYR A 27 68.380 7.415 3.505 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.349 6.089 1.547 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.646 7.261 0.450 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.738 7.366 3.600 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.144 8.811 -0.431 1.00 15.00 H new ATOM 0 HE1 TYR A 27 72.783 8.785 3.808 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.185 10.233 -0.221 1.00 15.00 H new ATOM 0 HH TYR A 27 73.893 10.883 1.087 1.00 15.00 H new ATOM 465 N THR A 28 66.842 9.149 1.160 1.00 15.00 N ATOM 466 CA THR A 28 66.335 10.531 0.884 1.00 15.00 C ATOM 467 C THR A 28 65.015 10.477 0.112 1.00 15.00 C ATOM 468 O THR A 28 64.817 9.627 -0.737 1.00 15.00 O ATOM 469 CB THR A 28 67.423 11.193 0.036 1.00 15.00 C ATOM 470 OG1 THR A 28 67.815 10.312 -1.007 1.00 15.00 O ATOM 471 CG2 THR A 28 68.632 11.519 0.915 1.00 15.00 C ATOM 0 H THR A 28 66.663 8.467 0.423 1.00 15.00 H new ATOM 0 HA THR A 28 66.139 11.083 1.803 1.00 15.00 H new ATOM 0 HB THR A 28 67.033 12.114 -0.397 1.00 15.00 H new ATOM 0 HG1 THR A 28 68.389 10.791 -1.641 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.406 11.990 0.309 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.330 12.199 1.711 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.023 10.600 1.352 1.00 15.00 H new ATOM 479 N ILE A 29 64.111 11.383 0.403 1.00 15.00 N ATOM 480 CA ILE A 29 62.792 11.402 -0.305 1.00 15.00 C ATOM 481 C ILE A 29 62.652 12.706 -1.102 1.00 15.00 C ATOM 482 O ILE A 29 62.816 13.787 -0.567 1.00 15.00 O ATOM 483 CB ILE A 29 61.728 11.329 0.805 1.00 15.00 C ATOM 484 CG1 ILE A 29 61.924 10.057 1.643 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.329 11.302 0.180 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.071 10.143 2.912 1.00 15.00 C ATOM 0 H ILE A 29 64.232 12.114 1.104 1.00 15.00 H new ATOM 0 HA ILE A 29 62.689 10.577 -1.010 1.00 15.00 H new ATOM 0 HB ILE A 29 61.831 12.205 1.445 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.642 9.179 1.062 1.00 15.00 H new ATOM 0 HG13 ILE A 29 62.975 9.941 1.906 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.579 11.250 0.969 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.176 12.207 -0.408 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.236 10.429 -0.467 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.211 9.240 3.506 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.374 11.012 3.496 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.020 10.238 2.638 1.00 15.00 H new ATOM 498 N ASP A 30 62.349 12.606 -2.374 1.00 15.00 N ATOM 499 CA ASP A 30 62.129 13.831 -3.201 1.00 15.00 C ATOM 500 C ASP A 30 60.656 13.921 -3.610 1.00 15.00 C ATOM 501 O ASP A 30 60.241 13.327 -4.589 1.00 15.00 O ATOM 502 CB ASP A 30 63.022 13.646 -4.430 1.00 15.00 C ATOM 503 CG ASP A 30 63.092 14.957 -5.214 1.00 15.00 C ATOM 504 OD1 ASP A 30 64.186 15.334 -5.603 1.00 15.00 O ATOM 505 OD2 ASP A 30 62.052 15.563 -5.415 1.00 15.00 O ATOM 0 H ASP A 30 62.245 11.724 -2.876 1.00 15.00 H new ATOM 0 HA ASP A 30 62.369 14.748 -2.664 1.00 15.00 H new ATOM 0 HB2 ASP A 30 64.022 13.340 -4.123 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.626 12.852 -5.064 1.00 15.00 H new ATOM 510 N THR A 31 59.869 14.657 -2.864 1.00 15.00 N ATOM 511 CA THR A 31 58.403 14.736 -3.159 1.00 15.00 C ATOM 512 C THR A 31 58.161 15.500 -4.464 1.00 15.00 C ATOM 513 O THR A 31 57.295 15.151 -5.243 1.00 15.00 O ATOM 514 CB THR A 31 57.789 15.491 -1.976 1.00 15.00 C ATOM 515 OG1 THR A 31 58.234 14.904 -0.761 1.00 15.00 O ATOM 516 CG2 THR A 31 56.263 15.414 -2.053 1.00 15.00 C ATOM 0 H THR A 31 60.178 15.207 -2.063 1.00 15.00 H new ATOM 0 HA THR A 31 57.961 13.747 -3.282 1.00 15.00 H new ATOM 0 HB THR A 31 58.099 16.536 -2.012 1.00 15.00 H new ATOM 0 HG1 THR A 31 57.844 15.386 -0.002 1.00 15.00 H new ATOM 0 HG21 THR A 31 55.829 15.952 -1.210 1.00 15.00 H new ATOM 0 HG22 THR A 31 55.923 15.864 -2.985 1.00 15.00 H new ATOM 0 HG23 THR A 31 55.949 14.371 -2.018 1.00 15.00 H new ATOM 524 N GLU A 32 58.929 16.535 -4.709 1.00 15.00 N ATOM 525 CA GLU A 32 58.643 17.439 -5.873 1.00 15.00 C ATOM 526 C GLU A 32 58.678 16.663 -7.197 1.00 15.00 C ATOM 527 O GLU A 32 58.002 17.018 -8.146 1.00 15.00 O ATOM 528 CB GLU A 32 59.752 18.495 -5.850 1.00 15.00 C ATOM 529 CG GLU A 32 59.600 19.370 -4.604 1.00 15.00 C ATOM 530 CD GLU A 32 60.658 20.474 -4.622 1.00 15.00 C ATOM 531 OE1 GLU A 32 60.302 21.605 -4.907 1.00 15.00 O ATOM 532 OE2 GLU A 32 61.808 20.169 -4.350 1.00 15.00 O ATOM 0 H GLU A 32 59.744 16.795 -4.153 1.00 15.00 H new ATOM 0 HA GLU A 32 57.650 17.882 -5.797 1.00 15.00 H new ATOM 0 HB2 GLU A 32 60.729 18.011 -5.850 1.00 15.00 H new ATOM 0 HB3 GLU A 32 59.701 19.111 -6.748 1.00 15.00 H new ATOM 0 HG2 GLU A 32 58.603 19.808 -4.574 1.00 15.00 H new ATOM 0 HG3 GLU A 32 59.708 18.763 -3.705 1.00 15.00 H new ATOM 539 N ASN A 33 59.457 15.611 -7.267 1.00 15.00 N ATOM 540 CA ASN A 33 59.589 14.850 -8.551 1.00 15.00 C ATOM 541 C ASN A 33 59.015 13.429 -8.427 1.00 15.00 C ATOM 542 O ASN A 33 59.255 12.591 -9.275 1.00 15.00 O ATOM 543 CB ASN A 33 61.094 14.794 -8.821 1.00 15.00 C ATOM 544 CG ASN A 33 61.619 16.199 -9.131 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.907 17.027 -9.664 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.850 16.504 -8.818 1.00 15.00 N ATOM 0 H ASN A 33 60.008 15.245 -6.490 1.00 15.00 H new ATOM 0 HA ASN A 33 59.035 15.330 -9.358 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.613 14.385 -7.954 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.298 14.127 -9.659 1.00 15.00 H new ATOM 0 HD21 ASN A 33 63.212 17.436 -9.021 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.449 15.810 -8.371 1.00 15.00 H new ATOM 553 N SER A 34 58.257 13.147 -7.382 1.00 15.00 N ATOM 554 CA SER A 34 57.710 11.760 -7.167 1.00 15.00 C ATOM 555 C SER A 34 58.819 10.697 -7.281 1.00 15.00 C ATOM 556 O SER A 34 58.649 9.676 -7.925 1.00 15.00 O ATOM 557 CB SER A 34 56.658 11.567 -8.264 1.00 15.00 C ATOM 558 OG SER A 34 55.481 12.284 -7.916 1.00 15.00 O ATOM 0 H SER A 34 57.993 13.824 -6.666 1.00 15.00 H new ATOM 0 HA SER A 34 57.286 11.648 -6.169 1.00 15.00 H new ATOM 0 HB2 SER A 34 57.044 11.920 -9.220 1.00 15.00 H new ATOM 0 HB3 SER A 34 56.431 10.508 -8.384 1.00 15.00 H new ATOM 0 HG SER A 34 54.806 12.164 -8.616 1.00 15.00 H new ATOM 564 N THR A 35 59.948 10.933 -6.658 1.00 15.00 N ATOM 565 CA THR A 35 61.086 9.964 -6.753 1.00 15.00 C ATOM 566 C THR A 35 61.658 9.664 -5.364 1.00 15.00 C ATOM 567 O THR A 35 61.627 10.498 -4.477 1.00 15.00 O ATOM 568 CB THR A 35 62.137 10.661 -7.623 1.00 15.00 C ATOM 569 OG1 THR A 35 62.316 11.995 -7.169 1.00 15.00 O ATOM 570 CG2 THR A 35 61.684 10.675 -9.087 1.00 15.00 C ATOM 0 H THR A 35 60.131 11.757 -6.086 1.00 15.00 H new ATOM 0 HA THR A 35 60.771 9.010 -7.176 1.00 15.00 H new ATOM 0 HB THR A 35 63.079 10.118 -7.548 1.00 15.00 H new ATOM 0 HG1 THR A 35 62.989 12.442 -7.724 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.438 11.173 -9.697 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.552 9.651 -9.437 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.739 11.211 -9.170 1.00 15.00 H new ATOM 578 N VAL A 36 62.182 8.478 -5.173 1.00 15.00 N ATOM 579 CA VAL A 36 62.796 8.120 -3.856 1.00 15.00 C ATOM 580 C VAL A 36 64.162 7.462 -4.087 1.00 15.00 C ATOM 581 O VAL A 36 64.334 6.680 -5.005 1.00 15.00 O ATOM 582 CB VAL A 36 61.814 7.132 -3.203 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.335 6.714 -1.823 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.443 7.798 -3.035 1.00 15.00 C ATOM 0 H VAL A 36 62.211 7.739 -5.876 1.00 15.00 H new ATOM 0 HA VAL A 36 62.961 8.991 -3.222 1.00 15.00 H new ATOM 0 HB VAL A 36 61.722 6.254 -3.842 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.635 6.014 -1.366 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.308 6.235 -1.931 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.433 7.595 -1.189 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.751 7.094 -2.572 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.542 8.680 -2.402 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.060 8.094 -4.012 1.00 15.00 H new ATOM 594 N ALA A 37 65.131 7.775 -3.259 1.00 15.00 N ATOM 595 CA ALA A 37 66.485 7.157 -3.408 1.00 15.00 C ATOM 596 C ALA A 37 66.768 6.225 -2.228 1.00 15.00 C ATOM 597 O ALA A 37 66.619 6.607 -1.079 1.00 15.00 O ATOM 598 CB ALA A 37 67.468 8.333 -3.415 1.00 15.00 C ATOM 0 H ALA A 37 65.041 8.433 -2.485 1.00 15.00 H new ATOM 0 HA ALA A 37 66.568 6.559 -4.315 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.485 7.956 -3.521 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.237 8.995 -4.249 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.382 8.885 -2.479 1.00 15.00 H new ATOM 604 N LEU A 38 67.180 5.011 -2.508 1.00 15.00 N ATOM 605 CA LEU A 38 67.456 4.029 -1.416 1.00 15.00 C ATOM 606 C LEU A 38 68.936 3.644 -1.429 1.00 15.00 C ATOM 607 O LEU A 38 69.523 3.452 -2.478 1.00 15.00 O ATOM 608 CB LEU A 38 66.593 2.800 -1.737 1.00 15.00 C ATOM 609 CG LEU A 38 65.105 3.170 -1.730 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.282 1.960 -2.178 1.00 15.00 C ATOM 611 CD2 LEU A 38 64.678 3.574 -0.315 1.00 15.00 C ATOM 0 H LEU A 38 67.337 4.658 -3.452 1.00 15.00 H new ATOM 0 HA LEU A 38 67.227 4.439 -0.432 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.869 2.399 -2.712 1.00 15.00 H new ATOM 0 HB3 LEU A 38 66.782 2.015 -1.005 1.00 15.00 H new ATOM 0 HG LEU A 38 64.938 4.005 -2.410 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.223 2.219 -2.174 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.581 1.669 -3.185 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.455 1.129 -1.494 1.00 15.00 H new ATOM 0 HD21 LEU A 38 63.620 3.836 -0.315 1.00 15.00 H new ATOM 0 HD22 LEU A 38 64.845 2.741 0.367 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.264 4.433 0.011 1.00 15.00 H new ATOM 623 N ALA A 39 69.540 3.531 -0.271 1.00 15.00 N ATOM 624 CA ALA A 39 70.979 3.134 -0.203 1.00 15.00 C ATOM 625 C ALA A 39 71.111 1.773 0.483 1.00 15.00 C ATOM 626 O ALA A 39 70.199 1.316 1.148 1.00 15.00 O ATOM 627 CB ALA A 39 71.653 4.226 0.630 1.00 15.00 C ATOM 0 H ALA A 39 69.096 3.697 0.632 1.00 15.00 H new ATOM 0 HA ALA A 39 71.433 3.041 -1.189 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.716 4.006 0.726 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.525 5.190 0.138 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.199 4.261 1.620 1.00 15.00 H new ATOM 633 N LYS A 40 72.246 1.121 0.324 1.00 15.00 N ATOM 634 CA LYS A 40 72.449 -0.247 0.918 1.00 15.00 C ATOM 635 C LYS A 40 71.296 -1.183 0.520 1.00 15.00 C ATOM 636 O LYS A 40 70.591 -1.715 1.360 1.00 15.00 O ATOM 637 CB LYS A 40 72.489 -0.039 2.440 1.00 15.00 C ATOM 638 CG LYS A 40 73.705 0.814 2.813 1.00 15.00 C ATOM 639 CD LYS A 40 74.984 -0.004 2.620 1.00 15.00 C ATOM 640 CE LYS A 40 76.180 0.779 3.165 1.00 15.00 C ATOM 641 NZ LYS A 40 77.376 0.009 2.728 1.00 15.00 N ATOM 0 H LYS A 40 73.046 1.482 -0.196 1.00 15.00 H new ATOM 0 HA LYS A 40 73.367 -0.712 0.558 1.00 15.00 H new ATOM 0 HB2 LYS A 40 71.574 0.450 2.774 1.00 15.00 H new ATOM 0 HB3 LYS A 40 72.539 -1.003 2.947 1.00 15.00 H new ATOM 0 HG2 LYS A 40 73.737 1.710 2.193 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.626 1.145 3.848 1.00 15.00 H new ATOM 0 HD2 LYS A 40 74.897 -0.961 3.135 1.00 15.00 H new ATOM 0 HD3 LYS A 40 75.131 -0.224 1.563 1.00 15.00 H new ATOM 0 HE2 LYS A 40 76.199 1.795 2.771 1.00 15.00 H new ATOM 0 HE3 LYS A 40 76.137 0.859 4.251 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 78.237 0.485 3.065 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 77.334 -0.952 3.124 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 77.394 -0.045 1.690 1.00 15.00 H new ATOM 655 N VAL A 41 71.107 -1.383 -0.762 1.00 15.00 N ATOM 656 CA VAL A 41 69.925 -2.166 -1.242 1.00 15.00 C ATOM 657 C VAL A 41 70.387 -3.381 -2.061 1.00 15.00 C ATOM 658 O VAL A 41 71.405 -3.340 -2.727 1.00 15.00 O ATOM 659 CB VAL A 41 69.113 -1.175 -2.099 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.920 -0.739 -3.329 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.808 -1.837 -2.556 1.00 15.00 C ATOM 0 H VAL A 41 71.722 -1.037 -1.498 1.00 15.00 H new ATOM 0 HA VAL A 41 69.325 -2.565 -0.424 1.00 15.00 H new ATOM 0 HB VAL A 41 68.889 -0.296 -1.494 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.330 -0.040 -3.922 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.842 -0.254 -3.006 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.162 -1.613 -3.934 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.236 -1.134 -3.162 1.00 15.00 H new ATOM 0 HG22 VAL A 41 68.037 -2.723 -3.148 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.221 -2.125 -1.684 1.00 15.00 H new ATOM 671 N ARG A 42 69.639 -4.454 -2.006 1.00 15.00 N ATOM 672 CA ARG A 42 69.998 -5.673 -2.791 1.00 15.00 C ATOM 673 C ARG A 42 68.748 -6.257 -3.456 1.00 15.00 C ATOM 674 O ARG A 42 67.651 -6.138 -2.940 1.00 15.00 O ATOM 675 CB ARG A 42 70.565 -6.656 -1.764 1.00 15.00 C ATOM 676 CG ARG A 42 71.893 -6.121 -1.223 1.00 15.00 C ATOM 677 CD ARG A 42 72.532 -7.169 -0.304 1.00 15.00 C ATOM 678 NE ARG A 42 71.657 -7.220 0.912 1.00 15.00 N ATOM 679 CZ ARG A 42 72.071 -7.781 2.032 1.00 15.00 C ATOM 680 NH1 ARG A 42 73.263 -8.322 2.133 1.00 15.00 N ATOM 681 NH2 ARG A 42 71.274 -7.800 3.066 1.00 15.00 N ATOM 0 H ARG A 42 68.790 -4.538 -1.447 1.00 15.00 H new ATOM 0 HA ARG A 42 70.713 -5.457 -3.585 1.00 15.00 H new ATOM 0 HB2 ARG A 42 69.857 -6.794 -0.947 1.00 15.00 H new ATOM 0 HB3 ARG A 42 70.715 -7.633 -2.224 1.00 15.00 H new ATOM 0 HG2 ARG A 42 72.566 -5.887 -2.048 1.00 15.00 H new ATOM 0 HG3 ARG A 42 71.727 -5.194 -0.674 1.00 15.00 H new ATOM 0 HD2 ARG A 42 72.582 -8.142 -0.793 1.00 15.00 H new ATOM 0 HD3 ARG A 42 73.553 -6.891 -0.042 1.00 15.00 H new ATOM 0 HE ARG A 42 70.723 -6.813 0.873 1.00 15.00 H new ATOM 0 HH11 ARG A 42 73.896 -8.315 1.333 1.00 15.00 H new ATOM 0 HH12 ARG A 42 73.557 -8.749 3.012 1.00 15.00 H new ATOM 0 HH21 ARG A 42 70.345 -7.385 3.001 1.00 15.00 H new ATOM 0 HH22 ARG A 42 71.581 -8.230 3.938 1.00 15.00 H new ATOM 695 N SER A 43 68.909 -6.884 -4.596 1.00 15.00 N ATOM 696 CA SER A 43 67.746 -7.532 -5.276 1.00 15.00 C ATOM 697 C SER A 43 67.717 -9.027 -4.939 1.00 15.00 C ATOM 698 O SER A 43 68.723 -9.708 -5.032 1.00 15.00 O ATOM 699 CB SER A 43 67.989 -7.311 -6.771 1.00 15.00 C ATOM 700 OG SER A 43 69.058 -8.144 -7.207 1.00 15.00 O ATOM 0 H SER A 43 69.799 -6.975 -5.086 1.00 15.00 H new ATOM 0 HA SER A 43 66.788 -7.117 -4.961 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.084 -7.538 -7.335 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.229 -6.265 -6.960 1.00 15.00 H new ATOM 0 HG SER A 43 69.339 -8.727 -6.471 1.00 15.00 H new ATOM 706 N PHE A 44 66.575 -9.540 -4.549 1.00 15.00 N ATOM 707 CA PHE A 44 66.514 -10.956 -4.062 1.00 15.00 C ATOM 708 C PHE A 44 66.638 -11.936 -5.231 1.00 15.00 C ATOM 709 O PHE A 44 67.303 -12.951 -5.127 1.00 15.00 O ATOM 710 CB PHE A 44 65.145 -11.098 -3.394 1.00 15.00 C ATOM 711 CG PHE A 44 65.024 -10.333 -2.097 1.00 15.00 C ATOM 712 CD1 PHE A 44 65.806 -10.708 -0.978 1.00 15.00 C ATOM 713 CD2 PHE A 44 64.126 -9.242 -2.001 1.00 15.00 C ATOM 714 CE1 PHE A 44 65.691 -9.991 0.238 1.00 15.00 C ATOM 715 CE2 PHE A 44 64.010 -8.526 -0.785 1.00 15.00 C ATOM 716 CZ PHE A 44 64.793 -8.900 0.335 1.00 15.00 C ATOM 0 H PHE A 44 65.685 -9.042 -4.546 1.00 15.00 H new ATOM 0 HA PHE A 44 67.329 -11.179 -3.374 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.375 -10.752 -4.084 1.00 15.00 H new ATOM 0 HB3 PHE A 44 64.950 -12.153 -3.203 1.00 15.00 H new ATOM 0 HD1 PHE A 44 66.490 -11.541 -1.052 1.00 15.00 H new ATOM 0 HD2 PHE A 44 63.530 -8.956 -2.855 1.00 15.00 H new ATOM 0 HE1 PHE A 44 66.288 -10.276 1.091 1.00 15.00 H new ATOM 0 HE2 PHE A 44 63.325 -7.695 -0.711 1.00 15.00 H new ATOM 0 HZ PHE A 44 64.705 -8.353 1.262 1.00 15.00 H new ATOM 984 N PHE A 62 74.286 -2.867 -3.940 1.00 15.00 N ATOM 985 CA PHE A 62 74.351 -1.536 -4.615 1.00 15.00 C ATOM 986 C PHE A 62 74.346 -0.417 -3.571 1.00 15.00 C ATOM 987 O PHE A 62 73.491 -0.374 -2.704 1.00 15.00 O ATOM 988 CB PHE A 62 73.093 -1.471 -5.479 1.00 15.00 C ATOM 989 CG PHE A 62 73.097 -2.457 -6.623 1.00 15.00 C ATOM 990 CD1 PHE A 62 73.885 -2.205 -7.772 1.00 15.00 C ATOM 991 CD2 PHE A 62 72.311 -3.633 -6.546 1.00 15.00 C ATOM 992 CE1 PHE A 62 73.887 -3.129 -8.845 1.00 15.00 C ATOM 993 CE2 PHE A 62 72.314 -4.557 -7.619 1.00 15.00 C ATOM 994 CZ PHE A 62 73.102 -4.305 -8.769 1.00 15.00 C ATOM 0 HA PHE A 62 75.258 -1.414 -5.207 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.221 -1.657 -4.852 1.00 15.00 H new ATOM 0 HB3 PHE A 62 72.988 -0.463 -5.879 1.00 15.00 H new ATOM 0 HD1 PHE A 62 74.484 -1.308 -7.830 1.00 15.00 H new ATOM 0 HD2 PHE A 62 71.710 -3.825 -5.669 1.00 15.00 H new ATOM 0 HE1 PHE A 62 74.488 -2.937 -9.722 1.00 15.00 H new ATOM 0 HE2 PHE A 62 71.715 -5.454 -7.561 1.00 15.00 H new ATOM 0 HZ PHE A 62 73.104 -5.010 -9.587 1.00 15.00 H new ATOM 1004 N GLU A 63 75.295 0.485 -3.651 1.00 15.00 N ATOM 1005 CA GLU A 63 75.390 1.579 -2.632 1.00 15.00 C ATOM 1006 C GLU A 63 74.207 2.543 -2.762 1.00 15.00 C ATOM 1007 O GLU A 63 73.628 2.955 -1.773 1.00 15.00 O ATOM 1008 CB GLU A 63 76.705 2.306 -2.936 1.00 15.00 C ATOM 1009 CG GLU A 63 77.883 1.375 -2.643 1.00 15.00 C ATOM 1010 CD GLU A 63 79.196 2.132 -2.850 1.00 15.00 C ATOM 1011 OE1 GLU A 63 79.561 2.344 -3.995 1.00 15.00 O ATOM 1012 OE2 GLU A 63 79.814 2.488 -1.860 1.00 15.00 O ATOM 0 H GLU A 63 76.009 0.511 -4.379 1.00 15.00 H new ATOM 0 HA GLU A 63 75.367 1.185 -1.616 1.00 15.00 H new ATOM 0 HB2 GLU A 63 76.727 2.620 -3.980 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.782 3.209 -2.330 1.00 15.00 H new ATOM 0 HG2 GLU A 63 77.822 1.005 -1.620 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.845 0.505 -3.299 1.00 15.00 H new ATOM 1019 N TYR A 64 73.844 2.904 -3.969 1.00 15.00 N ATOM 1020 CA TYR A 64 72.743 3.898 -4.162 1.00 15.00 C ATOM 1021 C TYR A 64 72.012 3.643 -5.484 1.00 15.00 C ATOM 1022 O TYR A 64 72.610 3.654 -6.545 1.00 15.00 O ATOM 1023 CB TYR A 64 73.447 5.255 -4.194 1.00 15.00 C ATOM 1024 CG TYR A 64 72.512 6.432 -4.032 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.561 6.727 -5.039 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.592 7.245 -2.875 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.692 7.835 -4.889 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.722 8.351 -2.725 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.772 8.645 -3.732 1.00 15.00 C ATOM 1030 OH TYR A 64 69.924 9.725 -3.586 1.00 15.00 O ATOM 0 H TYR A 64 74.264 2.552 -4.830 1.00 15.00 H new ATOM 0 HA TYR A 64 71.992 3.839 -3.374 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.194 5.285 -3.401 1.00 15.00 H new ATOM 0 HB3 TYR A 64 73.981 5.355 -5.139 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.499 6.107 -5.921 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.317 7.021 -2.107 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.968 8.062 -5.658 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.783 8.970 -1.842 1.00 15.00 H new ATOM 0 HH TYR A 64 70.110 10.174 -2.735 1.00 15.00 H new ATOM 1040 N ILE A 65 70.722 3.413 -5.423 1.00 15.00 N ATOM 1041 CA ILE A 65 69.910 3.289 -6.677 1.00 15.00 C ATOM 1042 C ILE A 65 68.662 4.177 -6.571 1.00 15.00 C ATOM 1043 O ILE A 65 68.121 4.373 -5.497 1.00 15.00 O ATOM 1044 CB ILE A 65 69.528 1.801 -6.783 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.805 0.950 -6.881 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.673 1.566 -8.039 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.447 -0.514 -7.167 1.00 15.00 C ATOM 0 H ILE A 65 70.194 3.305 -4.557 1.00 15.00 H new ATOM 0 HA ILE A 65 70.459 3.612 -7.562 1.00 15.00 H new ATOM 0 HB ILE A 65 68.958 1.518 -5.898 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.448 1.336 -7.672 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.369 1.019 -5.951 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.407 0.511 -8.106 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.765 2.166 -7.978 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.240 1.854 -8.924 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.360 -1.105 -7.234 1.00 15.00 H new ATOM 0 HD12 ILE A 65 69.823 -0.900 -6.361 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.903 -0.578 -8.110 1.00 15.00 H new ATOM 1059 N ILE A 66 68.207 4.709 -7.680 1.00 15.00 N ATOM 1060 CA ILE A 66 67.019 5.621 -7.656 1.00 15.00 C ATOM 1061 C ILE A 66 65.821 4.934 -8.324 1.00 15.00 C ATOM 1062 O ILE A 66 65.949 4.322 -9.369 1.00 15.00 O ATOM 1063 CB ILE A 66 67.447 6.867 -8.452 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.657 7.526 -7.779 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.295 7.879 -8.496 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.278 8.550 -8.732 1.00 15.00 C ATOM 0 H ILE A 66 68.609 4.550 -8.604 1.00 15.00 H new ATOM 0 HA ILE A 66 66.715 5.880 -6.642 1.00 15.00 H new ATOM 0 HB ILE A 66 67.709 6.561 -9.465 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.351 8.014 -6.854 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.394 6.769 -7.511 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.605 8.758 -9.061 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.430 7.424 -8.978 1.00 15.00 H new ATOM 0 HG23 ILE A 66 66.031 8.174 -7.480 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.138 9.018 -8.253 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.599 8.049 -9.645 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.540 9.313 -8.977 1.00 15.00 H new ATOM 1078 N PHE A 67 64.660 5.037 -7.724 1.00 15.00 N ATOM 1079 CA PHE A 67 63.426 4.469 -8.349 1.00 15.00 C ATOM 1080 C PHE A 67 62.347 5.549 -8.449 1.00 15.00 C ATOM 1081 O PHE A 67 62.208 6.378 -7.567 1.00 15.00 O ATOM 1082 CB PHE A 67 62.980 3.351 -7.405 1.00 15.00 C ATOM 1083 CG PHE A 67 63.913 2.164 -7.392 1.00 15.00 C ATOM 1084 CD1 PHE A 67 64.015 1.331 -8.534 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.686 1.882 -6.240 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.889 0.216 -8.521 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.560 0.768 -6.228 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.661 -0.065 -7.369 1.00 15.00 C ATOM 0 H PHE A 67 64.514 5.493 -6.823 1.00 15.00 H new ATOM 0 HA PHE A 67 63.605 4.099 -9.359 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.900 3.751 -6.394 1.00 15.00 H new ATOM 0 HB3 PHE A 67 61.984 3.017 -7.696 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.427 1.546 -9.414 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.609 2.517 -5.370 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.966 -0.420 -9.391 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.150 0.554 -5.349 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.327 -0.915 -7.360 1.00 15.00 H new ATOM 1098 N ARG A 68 61.586 5.546 -9.516 1.00 15.00 N ATOM 1099 CA ARG A 68 60.513 6.574 -9.686 1.00 15.00 C ATOM 1100 C ARG A 68 59.136 5.937 -9.484 1.00 15.00 C ATOM 1101 O ARG A 68 58.948 4.759 -9.721 1.00 15.00 O ATOM 1102 CB ARG A 68 60.665 7.080 -11.123 1.00 15.00 C ATOM 1103 CG ARG A 68 61.996 7.820 -11.270 1.00 15.00 C ATOM 1104 CD ARG A 68 62.070 8.467 -12.656 1.00 15.00 C ATOM 1105 NE ARG A 68 63.471 8.986 -12.779 1.00 15.00 N ATOM 1106 CZ ARG A 68 63.987 9.304 -13.952 1.00 15.00 C ATOM 1107 NH1 ARG A 68 63.295 9.189 -15.064 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.212 9.748 -14.008 1.00 15.00 N ATOM 0 H ARG A 68 61.662 4.873 -10.279 1.00 15.00 H new ATOM 0 HA ARG A 68 60.600 7.383 -8.961 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.624 6.243 -11.820 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.838 7.745 -11.374 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.088 8.582 -10.496 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.826 7.127 -11.136 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.849 7.743 -13.440 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.343 9.273 -12.753 1.00 15.00 H new ATOM 0 HE ARG A 68 64.038 9.096 -11.938 1.00 15.00 H new ATOM 0 HH11 ARG A 68 62.335 8.847 -15.034 1.00 15.00 H new ATOM 0 HH12 ARG A 68 63.719 9.442 -15.957 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.759 9.846 -13.152 1.00 15.00 H new ATOM 0 HH22 ARG A 68 65.623 9.997 -14.907 1.00 15.00 H new ATOM 1122 N GLY A 69 58.170 6.712 -9.048 1.00 15.00 N ATOM 1123 CA GLY A 69 56.796 6.162 -8.807 1.00 15.00 C ATOM 1124 C GLY A 69 56.235 5.517 -10.084 1.00 15.00 C ATOM 1125 O GLY A 69 55.399 4.635 -10.022 1.00 15.00 O ATOM 0 H GLY A 69 58.275 7.707 -8.848 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.830 5.424 -8.006 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.132 6.961 -8.476 1.00 15.00 H new ATOM 1129 N SER A 70 56.689 5.952 -11.239 1.00 15.00 N ATOM 1130 CA SER A 70 56.157 5.389 -12.524 1.00 15.00 C ATOM 1131 C SER A 70 56.531 3.908 -12.665 1.00 15.00 C ATOM 1132 O SER A 70 55.706 3.087 -13.020 1.00 15.00 O ATOM 1133 CB SER A 70 56.816 6.212 -13.632 1.00 15.00 C ATOM 1134 OG SER A 70 56.546 7.591 -13.417 1.00 15.00 O ATOM 0 H SER A 70 57.404 6.672 -11.347 1.00 15.00 H new ATOM 0 HA SER A 70 55.069 5.444 -12.566 1.00 15.00 H new ATOM 0 HB2 SER A 70 57.892 6.037 -13.640 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.436 5.903 -14.606 1.00 15.00 H new ATOM 0 HG SER A 70 56.969 8.121 -14.125 1.00 15.00 H new ATOM 1140 N ASP A 71 57.767 3.566 -12.388 1.00 15.00 N ATOM 1141 CA ASP A 71 58.213 2.144 -12.557 1.00 15.00 C ATOM 1142 C ASP A 71 57.813 1.303 -11.337 1.00 15.00 C ATOM 1143 O ASP A 71 57.543 0.121 -11.452 1.00 15.00 O ATOM 1144 CB ASP A 71 59.743 2.201 -12.714 1.00 15.00 C ATOM 1145 CG ASP A 71 60.393 2.793 -11.457 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.619 2.043 -10.521 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.653 3.985 -11.454 1.00 15.00 O ATOM 0 H ASP A 71 58.486 4.208 -12.053 1.00 15.00 H new ATOM 0 HA ASP A 71 57.745 1.675 -13.422 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.133 1.199 -12.894 1.00 15.00 H new ATOM 0 HB3 ASP A 71 60.003 2.805 -13.583 1.00 15.00 H new ATOM 1152 N ILE A 72 57.774 1.906 -10.172 1.00 15.00 N ATOM 1153 CA ILE A 72 57.389 1.147 -8.936 1.00 15.00 C ATOM 1154 C ILE A 72 55.918 0.722 -9.024 1.00 15.00 C ATOM 1155 O ILE A 72 55.068 1.484 -9.448 1.00 15.00 O ATOM 1156 CB ILE A 72 57.605 2.119 -7.762 1.00 15.00 C ATOM 1157 CG1 ILE A 72 59.078 2.540 -7.697 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.227 1.437 -6.442 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.215 3.786 -6.821 1.00 15.00 C ATOM 0 H ILE A 72 57.992 2.891 -10.022 1.00 15.00 H new ATOM 0 HA ILE A 72 57.982 0.241 -8.811 1.00 15.00 H new ATOM 0 HB ILE A 72 56.977 2.996 -7.916 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.681 1.729 -7.290 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.453 2.745 -8.700 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.383 2.131 -5.616 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.179 1.139 -6.473 1.00 15.00 H new ATOM 0 HG23 ILE A 72 57.850 0.555 -6.297 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.262 4.085 -6.775 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.624 4.597 -7.247 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.856 3.565 -5.816 1.00 15.00 H new ATOM 1171 N LYS A 73 55.618 -0.490 -8.625 1.00 15.00 N ATOM 1172 CA LYS A 73 54.207 -0.977 -8.675 1.00 15.00 C ATOM 1173 C LYS A 73 53.609 -1.008 -7.266 1.00 15.00 C ATOM 1174 O LYS A 73 52.459 -0.659 -7.066 1.00 15.00 O ATOM 1175 CB LYS A 73 54.296 -2.391 -9.251 1.00 15.00 C ATOM 1176 CG LYS A 73 52.889 -2.903 -9.570 1.00 15.00 C ATOM 1177 CD LYS A 73 52.973 -4.341 -10.084 1.00 15.00 C ATOM 1178 CE LYS A 73 51.583 -4.808 -10.522 1.00 15.00 C ATOM 1179 NZ LYS A 73 51.414 -4.273 -11.902 1.00 15.00 N ATOM 0 H LYS A 73 56.294 -1.164 -8.266 1.00 15.00 H new ATOM 0 HA LYS A 73 53.568 -0.331 -9.277 1.00 15.00 H new ATOM 0 HB2 LYS A 73 54.907 -2.389 -10.154 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.783 -3.056 -8.537 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.264 -2.861 -8.678 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.419 -2.265 -10.319 1.00 15.00 H new ATOM 0 HD2 LYS A 73 53.669 -4.399 -10.921 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.359 -4.996 -9.303 1.00 15.00 H new ATOM 0 HE2 LYS A 73 51.509 -5.895 -10.508 1.00 15.00 H new ATOM 0 HE3 LYS A 73 50.810 -4.428 -9.854 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 50.440 -3.930 -12.024 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 52.079 -3.488 -12.054 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 51.605 -5.027 -12.592 1.00 15.00 H new ATOM 1193 N ASP A 74 54.382 -1.422 -6.291 1.00 15.00 N ATOM 1194 CA ASP A 74 53.850 -1.516 -4.893 1.00 15.00 C ATOM 1195 C ASP A 74 54.926 -1.118 -3.877 1.00 15.00 C ATOM 1196 O ASP A 74 56.091 -1.418 -4.051 1.00 15.00 O ATOM 1197 CB ASP A 74 53.466 -2.985 -4.719 1.00 15.00 C ATOM 1198 CG ASP A 74 52.630 -3.149 -3.447 1.00 15.00 C ATOM 1199 OD1 ASP A 74 53.015 -2.591 -2.432 1.00 15.00 O ATOM 1200 OD2 ASP A 74 51.619 -3.828 -3.509 1.00 15.00 O ATOM 0 H ASP A 74 55.357 -1.699 -6.402 1.00 15.00 H new ATOM 0 HA ASP A 74 53.005 -0.847 -4.730 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.900 -3.329 -5.585 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.363 -3.601 -4.659 1.00 15.00 H new ATOM 1205 N LEU A 75 54.536 -0.445 -2.821 1.00 15.00 N ATOM 1206 CA LEU A 75 55.518 -0.044 -1.765 1.00 15.00 C ATOM 1207 C LEU A 75 55.013 -0.480 -0.385 1.00 15.00 C ATOM 1208 O LEU A 75 53.900 -0.174 -0.002 1.00 15.00 O ATOM 1209 CB LEU A 75 55.587 1.482 -1.852 1.00 15.00 C ATOM 1210 CG LEU A 75 56.805 1.989 -1.075 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.212 3.366 -1.605 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.453 2.103 0.410 1.00 15.00 C ATOM 0 H LEU A 75 53.574 -0.155 -2.645 1.00 15.00 H new ATOM 0 HA LEU A 75 56.495 -0.506 -1.908 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.653 1.794 -2.894 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.676 1.921 -1.445 1.00 15.00 H new ATOM 0 HG LEU A 75 57.631 1.290 -1.202 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.079 3.727 -1.052 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.463 3.289 -2.663 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.384 4.064 -1.478 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.320 2.464 0.963 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.626 2.802 0.535 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.161 1.124 0.791 1.00 15.00 H new ATOM 1224 N THR A 76 55.826 -1.193 0.360 1.00 15.00 N ATOM 1225 CA THR A 76 55.404 -1.649 1.722 1.00 15.00 C ATOM 1226 C THR A 76 56.499 -1.345 2.750 1.00 15.00 C ATOM 1227 O THR A 76 57.675 -1.507 2.480 1.00 15.00 O ATOM 1228 CB THR A 76 55.198 -3.158 1.587 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.365 -3.422 0.467 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.539 -3.703 2.855 1.00 15.00 C ATOM 0 H THR A 76 56.765 -1.479 0.082 1.00 15.00 H new ATOM 0 HA THR A 76 54.502 -1.142 2.065 1.00 15.00 H new ATOM 0 HB THR A 76 56.163 -3.644 1.446 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.233 -4.389 0.378 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.393 -4.779 2.756 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.180 -3.501 3.714 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.574 -3.218 3.001 1.00 15.00 H new