USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=16 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= -2.13! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.701 USER MOD Single : A 10 SER OG : rot 31:sc= 0.143 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 110:sc= 0.279 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0682) 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 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 SER OG : rot -63:sc= 0.684 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 40 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0631) USER MOD Single : A 43 SER OG : rot 20:sc= 0.26! USER MOD Single : A 70 SER OG : rot 180:sc= -0.234 USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0593) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.287 4.178 7.883 1.00 15.00 N ATOM 162 CA SER A 10 63.429 2.968 8.098 1.00 15.00 C ATOM 163 C SER A 10 63.625 1.962 6.960 1.00 15.00 C ATOM 164 O SER A 10 64.086 2.308 5.888 1.00 15.00 O ATOM 165 CB SER A 10 61.992 3.491 8.109 1.00 15.00 C ATOM 166 OG SER A 10 61.834 4.411 9.182 1.00 15.00 O ATOM 0 HA SER A 10 63.681 2.450 9.023 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.763 3.978 7.161 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.292 2.663 8.219 1.00 15.00 H new ATOM 0 HG SER A 10 62.684 4.869 9.348 1.00 15.00 H new ATOM 172 N LYS A 11 63.274 0.719 7.191 1.00 15.00 N ATOM 173 CA LYS A 11 63.451 -0.336 6.141 1.00 15.00 C ATOM 174 C LYS A 11 62.231 -0.371 5.214 1.00 15.00 C ATOM 175 O LYS A 11 61.102 -0.397 5.668 1.00 15.00 O ATOM 176 CB LYS A 11 63.564 -1.657 6.910 1.00 15.00 C ATOM 177 CG LYS A 11 64.829 -1.651 7.772 1.00 15.00 C ATOM 178 CD LYS A 11 64.896 -2.943 8.590 1.00 15.00 C ATOM 179 CE LYS A 11 66.105 -2.892 9.527 1.00 15.00 C ATOM 180 NZ LYS A 11 66.075 -4.188 10.262 1.00 15.00 N ATOM 0 H LYS A 11 62.870 0.388 8.067 1.00 15.00 H new ATOM 0 HA LYS A 11 64.326 -0.148 5.519 1.00 15.00 H new ATOM 0 HB2 LYS A 11 62.685 -1.798 7.539 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.593 -2.493 6.211 1.00 15.00 H new ATOM 0 HG2 LYS A 11 65.712 -1.562 7.140 1.00 15.00 H new ATOM 0 HG3 LYS A 11 64.825 -0.787 8.437 1.00 15.00 H new ATOM 0 HD2 LYS A 11 63.980 -3.068 9.167 1.00 15.00 H new ATOM 0 HD3 LYS A 11 64.974 -3.803 7.925 1.00 15.00 H new ATOM 0 HE2 LYS A 11 67.034 -2.776 8.968 1.00 15.00 H new ATOM 0 HE3 LYS A 11 66.038 -2.047 10.213 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 66.875 -4.229 10.926 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 65.182 -4.267 10.790 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 66.147 -4.973 9.584 1.00 15.00 H new ATOM 194 N ILE A 12 62.451 -0.372 3.920 1.00 15.00 N ATOM 195 CA ILE A 12 61.304 -0.409 2.958 1.00 15.00 C ATOM 196 C ILE A 12 61.560 -1.469 1.880 1.00 15.00 C ATOM 197 O ILE A 12 62.685 -1.687 1.464 1.00 15.00 O ATOM 198 CB ILE A 12 61.234 0.999 2.342 1.00 15.00 C ATOM 199 CG1 ILE A 12 60.953 2.028 3.446 1.00 15.00 C ATOM 200 CG2 ILE A 12 60.106 1.056 1.302 1.00 15.00 C ATOM 201 CD1 ILE A 12 61.058 3.445 2.876 1.00 15.00 C ATOM 0 H ILE A 12 63.375 -0.349 3.489 1.00 15.00 H new ATOM 0 HA ILE A 12 60.365 -0.672 3.446 1.00 15.00 H new ATOM 0 HB ILE A 12 62.185 1.226 1.860 1.00 15.00 H new ATOM 0 HG12 ILE A 12 59.958 1.866 3.861 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.664 1.901 4.263 1.00 15.00 H new ATOM 0 HG21 ILE A 12 60.061 2.055 0.869 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.300 0.328 0.515 1.00 15.00 H new ATOM 0 HG23 ILE A 12 59.155 0.826 1.783 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.857 4.170 3.665 1.00 15.00 H new ATOM 0 HD12 ILE A 12 62.062 3.605 2.482 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.330 3.570 2.075 1.00 15.00 H new ATOM 213 N SER A 13 60.516 -2.124 1.434 1.00 15.00 N ATOM 214 CA SER A 13 60.647 -3.100 0.314 1.00 15.00 C ATOM 215 C SER A 13 59.847 -2.603 -0.893 1.00 15.00 C ATOM 216 O SER A 13 58.675 -2.292 -0.781 1.00 15.00 O ATOM 217 CB SER A 13 60.057 -4.404 0.851 1.00 15.00 C ATOM 218 OG SER A 13 60.258 -5.437 -0.105 1.00 15.00 O ATOM 0 H SER A 13 59.571 -2.021 1.803 1.00 15.00 H new ATOM 0 HA SER A 13 61.679 -3.231 -0.011 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.531 -4.669 1.796 1.00 15.00 H new ATOM 0 HB3 SER A 13 58.993 -4.280 1.052 1.00 15.00 H new ATOM 0 HG SER A 13 60.923 -6.072 0.234 1.00 15.00 H new ATOM 224 N LEU A 14 60.473 -2.528 -2.039 1.00 15.00 N ATOM 225 CA LEU A 14 59.793 -1.966 -3.244 1.00 15.00 C ATOM 226 C LEU A 14 59.652 -3.044 -4.321 1.00 15.00 C ATOM 227 O LEU A 14 60.589 -3.760 -4.617 1.00 15.00 O ATOM 228 CB LEU A 14 60.717 -0.849 -3.724 1.00 15.00 C ATOM 229 CG LEU A 14 59.925 0.145 -4.573 1.00 15.00 C ATOM 230 CD1 LEU A 14 59.017 0.979 -3.667 1.00 15.00 C ATOM 231 CD2 LEU A 14 60.896 1.070 -5.312 1.00 15.00 C ATOM 0 H LEU A 14 61.434 -2.834 -2.193 1.00 15.00 H new ATOM 0 HA LEU A 14 58.789 -1.604 -3.025 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.161 -0.339 -2.869 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.537 -1.268 -4.307 1.00 15.00 H new ATOM 0 HG LEU A 14 59.317 -0.398 -5.297 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.452 1.688 -4.272 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.327 0.321 -3.139 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.625 1.523 -2.944 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.333 1.780 -5.918 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.503 1.613 -4.588 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.544 0.477 -5.957 1.00 15.00 H new ATOM 243 N ILE A 15 58.485 -3.163 -4.905 1.00 15.00 N ATOM 244 CA ILE A 15 58.280 -4.158 -6.003 1.00 15.00 C ATOM 245 C ILE A 15 58.168 -3.412 -7.337 1.00 15.00 C ATOM 246 O ILE A 15 57.274 -2.606 -7.526 1.00 15.00 O ATOM 247 CB ILE A 15 56.967 -4.882 -5.662 1.00 15.00 C ATOM 248 CG1 ILE A 15 57.095 -5.581 -4.302 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.659 -5.933 -6.735 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.713 -6.029 -3.823 1.00 15.00 C ATOM 0 H ILE A 15 57.661 -2.611 -4.667 1.00 15.00 H new ATOM 0 HA ILE A 15 59.103 -4.867 -6.092 1.00 15.00 H new ATOM 0 HB ILE A 15 56.161 -4.149 -5.623 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.759 -6.442 -4.385 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.541 -4.903 -3.574 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.728 -6.443 -6.488 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.560 -5.445 -7.705 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.470 -6.660 -6.776 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.806 -6.525 -2.857 1.00 15.00 H new ATOM 0 HD12 ILE A 15 55.063 -5.160 -3.723 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.284 -6.722 -4.547 1.00 15.00 H new ATOM 262 N SER A 16 59.065 -3.684 -8.254 1.00 15.00 N ATOM 263 CA SER A 16 59.126 -2.881 -9.517 1.00 15.00 C ATOM 264 C SER A 16 58.242 -3.505 -10.602 1.00 15.00 C ATOM 265 O SER A 16 57.718 -4.591 -10.444 1.00 15.00 O ATOM 266 CB SER A 16 60.597 -2.915 -9.939 1.00 15.00 C ATOM 267 OG SER A 16 61.307 -1.897 -9.246 1.00 15.00 O ATOM 0 H SER A 16 59.759 -4.428 -8.183 1.00 15.00 H new ATOM 0 HA SER A 16 58.764 -1.864 -9.369 1.00 15.00 H new ATOM 0 HB2 SER A 16 61.029 -3.891 -9.717 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.682 -2.766 -11.015 1.00 15.00 H new ATOM 0 HG SER A 16 62.250 -1.917 -9.512 1.00 15.00 H new ATOM 273 N LYS A 17 58.082 -2.818 -11.710 1.00 15.00 N ATOM 274 CA LYS A 17 57.199 -3.333 -12.813 1.00 15.00 C ATOM 275 C LYS A 17 57.696 -4.689 -13.345 1.00 15.00 C ATOM 276 O LYS A 17 56.955 -5.413 -13.983 1.00 15.00 O ATOM 277 CB LYS A 17 57.272 -2.274 -13.916 1.00 15.00 C ATOM 278 CG LYS A 17 56.208 -2.563 -14.977 1.00 15.00 C ATOM 279 CD LYS A 17 54.830 -2.175 -14.438 1.00 15.00 C ATOM 280 CE LYS A 17 53.778 -2.376 -15.531 1.00 15.00 C ATOM 281 NZ LYS A 17 53.851 -1.143 -16.365 1.00 15.00 N ATOM 0 H LYS A 17 58.526 -1.919 -11.900 1.00 15.00 H new ATOM 0 HA LYS A 17 56.181 -3.496 -12.459 1.00 15.00 H new ATOM 0 HB2 LYS A 17 57.117 -1.282 -13.492 1.00 15.00 H new ATOM 0 HB3 LYS A 17 58.263 -2.275 -14.370 1.00 15.00 H new ATOM 0 HG2 LYS A 17 56.425 -2.003 -15.887 1.00 15.00 H new ATOM 0 HG3 LYS A 17 56.222 -3.620 -15.242 1.00 15.00 H new ATOM 0 HD2 LYS A 17 54.585 -2.782 -13.567 1.00 15.00 H new ATOM 0 HD3 LYS A 17 54.836 -1.135 -14.111 1.00 15.00 H new ATOM 0 HE2 LYS A 17 53.989 -3.267 -16.123 1.00 15.00 H new ATOM 0 HE3 LYS A 17 52.784 -2.505 -15.103 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 52.984 -0.583 -16.234 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 54.675 -0.578 -16.077 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 53.945 -1.406 -17.367 1.00 15.00 H new ATOM 295 N ALA A 18 58.938 -5.038 -13.089 1.00 15.00 N ATOM 296 CA ALA A 18 59.481 -6.336 -13.601 1.00 15.00 C ATOM 297 C ALA A 18 59.257 -7.474 -12.591 1.00 15.00 C ATOM 298 O ALA A 18 59.868 -8.520 -12.693 1.00 15.00 O ATOM 299 CB ALA A 18 60.980 -6.090 -13.794 1.00 15.00 C ATOM 0 H ALA A 18 59.597 -4.479 -12.548 1.00 15.00 H new ATOM 0 HA ALA A 18 58.984 -6.640 -14.522 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.452 -6.998 -14.169 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.127 -5.282 -14.511 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.429 -5.815 -12.840 1.00 15.00 H new ATOM 305 N GLU A 19 58.386 -7.280 -11.616 1.00 15.00 N ATOM 306 CA GLU A 19 58.102 -8.349 -10.594 1.00 15.00 C ATOM 307 C GLU A 19 59.394 -8.782 -9.890 1.00 15.00 C ATOM 308 O GLU A 19 59.528 -9.915 -9.464 1.00 15.00 O ATOM 309 CB GLU A 19 57.474 -9.522 -11.360 1.00 15.00 C ATOM 310 CG GLU A 19 56.032 -9.171 -11.733 1.00 15.00 C ATOM 311 CD GLU A 19 55.321 -10.416 -12.270 1.00 15.00 C ATOM 312 OE1 GLU A 19 54.605 -10.288 -13.249 1.00 15.00 O ATOM 313 OE2 GLU A 19 55.501 -11.475 -11.692 1.00 15.00 O ATOM 0 H GLU A 19 57.856 -6.418 -11.486 1.00 15.00 H new ATOM 0 HA GLU A 19 57.430 -7.985 -9.817 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.052 -9.735 -12.259 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.494 -10.423 -10.747 1.00 15.00 H new ATOM 0 HG2 GLU A 19 55.504 -8.786 -10.861 1.00 15.00 H new ATOM 0 HG3 GLU A 19 56.022 -8.382 -12.485 1.00 15.00 H new ATOM 320 N ILE A 20 60.341 -7.882 -9.769 1.00 15.00 N ATOM 321 CA ILE A 20 61.558 -8.166 -8.951 1.00 15.00 C ATOM 322 C ILE A 20 61.446 -7.417 -7.618 1.00 15.00 C ATOM 323 O ILE A 20 60.944 -6.308 -7.567 1.00 15.00 O ATOM 324 CB ILE A 20 62.744 -7.641 -9.777 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.812 -8.379 -11.118 1.00 15.00 C ATOM 326 CG2 ILE A 20 64.052 -7.876 -9.010 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.776 -7.649 -12.057 1.00 15.00 C ATOM 0 H ILE A 20 60.321 -6.960 -10.204 1.00 15.00 H new ATOM 0 HA ILE A 20 61.679 -9.226 -8.727 1.00 15.00 H new ATOM 0 HB ILE A 20 62.607 -6.574 -9.954 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.146 -9.405 -10.963 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.820 -8.431 -11.567 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.891 -7.503 -9.598 1.00 15.00 H new ATOM 0 HG22 ILE A 20 64.014 -7.349 -8.057 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.181 -8.943 -8.830 1.00 15.00 H new ATOM 0 HD11 ILE A 20 63.823 -8.175 -13.010 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.423 -6.631 -12.221 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.769 -7.621 -11.609 1.00 15.00 H new ATOM 339 N ARG A 21 61.909 -8.014 -6.549 1.00 15.00 N ATOM 340 CA ARG A 21 61.786 -7.366 -5.209 1.00 15.00 C ATOM 341 C ARG A 21 63.126 -6.759 -4.785 1.00 15.00 C ATOM 342 O ARG A 21 64.115 -7.456 -4.647 1.00 15.00 O ATOM 343 CB ARG A 21 61.382 -8.494 -4.260 1.00 15.00 C ATOM 344 CG ARG A 21 60.974 -7.903 -2.909 1.00 15.00 C ATOM 345 CD ARG A 21 60.577 -9.034 -1.954 1.00 15.00 C ATOM 346 NE ARG A 21 60.048 -8.353 -0.728 1.00 15.00 N ATOM 347 CZ ARG A 21 59.917 -8.999 0.415 1.00 15.00 C ATOM 348 NH1 ARG A 21 60.236 -10.268 0.531 1.00 15.00 N ATOM 349 NH2 ARG A 21 59.455 -8.362 1.456 1.00 15.00 N ATOM 0 H ARG A 21 62.368 -8.925 -6.547 1.00 15.00 H new ATOM 0 HA ARG A 21 61.059 -6.553 -5.210 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.555 -9.062 -4.685 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.212 -9.188 -4.129 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.799 -7.330 -2.487 1.00 15.00 H new ATOM 0 HG3 ARG A 21 60.140 -7.213 -3.039 1.00 15.00 H new ATOM 0 HD2 ARG A 21 59.821 -9.679 -2.402 1.00 15.00 H new ATOM 0 HD3 ARG A 21 61.433 -9.665 -1.715 1.00 15.00 H new ATOM 0 HE ARG A 21 59.784 -7.369 -0.778 1.00 15.00 H new ATOM 0 HH11 ARG A 21 60.595 -10.779 -0.275 1.00 15.00 H new ATOM 0 HH12 ARG A 21 60.124 -10.742 1.427 1.00 15.00 H new ATOM 0 HH21 ARG A 21 59.200 -7.377 1.380 1.00 15.00 H new ATOM 0 HH22 ARG A 21 59.348 -8.849 2.346 1.00 15.00 H new ATOM 363 N TYR A 22 63.158 -5.465 -4.578 1.00 15.00 N ATOM 364 CA TYR A 22 64.398 -4.803 -4.076 1.00 15.00 C ATOM 365 C TYR A 22 64.180 -4.326 -2.638 1.00 15.00 C ATOM 366 O TYR A 22 63.194 -3.680 -2.343 1.00 15.00 O ATOM 367 CB TYR A 22 64.610 -3.598 -4.995 1.00 15.00 C ATOM 368 CG TYR A 22 65.014 -3.961 -6.405 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.384 -4.113 -6.733 1.00 15.00 C ATOM 370 CD2 TYR A 22 64.024 -4.140 -7.403 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.762 -4.443 -8.057 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.401 -4.470 -8.726 1.00 15.00 C ATOM 373 CZ TYR A 22 65.771 -4.621 -9.053 1.00 15.00 C ATOM 374 OH TYR A 22 66.140 -4.944 -10.344 1.00 15.00 O ATOM 0 H TYR A 22 62.371 -4.836 -4.737 1.00 15.00 H new ATOM 0 HA TYR A 22 65.255 -5.476 -4.079 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.689 -3.016 -5.031 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.377 -2.955 -4.563 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.140 -3.977 -5.973 1.00 15.00 H new ATOM 0 HD2 TYR A 22 62.980 -4.024 -7.153 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.806 -4.559 -8.307 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.645 -4.607 -9.486 1.00 15.00 H new ATOM 0 HH TYR A 22 65.339 -5.031 -10.901 1.00 15.00 H new ATOM 384 N GLU A 23 65.086 -4.638 -1.745 1.00 15.00 N ATOM 385 CA GLU A 23 64.961 -4.132 -0.343 1.00 15.00 C ATOM 386 C GLU A 23 66.129 -3.200 -0.021 1.00 15.00 C ATOM 387 O GLU A 23 67.253 -3.450 -0.411 1.00 15.00 O ATOM 388 CB GLU A 23 65.015 -5.384 0.535 1.00 15.00 C ATOM 389 CG GLU A 23 64.678 -5.013 1.981 1.00 15.00 C ATOM 390 CD GLU A 23 64.878 -6.231 2.885 1.00 15.00 C ATOM 391 OE1 GLU A 23 64.017 -6.475 3.715 1.00 15.00 O ATOM 392 OE2 GLU A 23 65.886 -6.900 2.732 1.00 15.00 O ATOM 0 H GLU A 23 65.904 -5.219 -1.925 1.00 15.00 H new ATOM 0 HA GLU A 23 64.044 -3.564 -0.184 1.00 15.00 H new ATOM 0 HB2 GLU A 23 64.310 -6.129 0.167 1.00 15.00 H new ATOM 0 HB3 GLU A 23 66.007 -5.832 0.486 1.00 15.00 H new ATOM 0 HG2 GLU A 23 65.314 -4.193 2.314 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.647 -4.664 2.047 1.00 15.00 H new ATOM 399 N GLY A 24 65.866 -2.134 0.691 1.00 15.00 N ATOM 400 CA GLY A 24 66.947 -1.165 1.040 1.00 15.00 C ATOM 401 C GLY A 24 66.441 -0.227 2.134 1.00 15.00 C ATOM 402 O GLY A 24 65.320 -0.355 2.593 1.00 15.00 O ATOM 0 H GLY A 24 64.942 -1.892 1.048 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.834 -1.698 1.382 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.239 -0.593 0.159 1.00 15.00 H new ATOM 406 N ILE A 25 67.249 0.714 2.558 1.00 15.00 N ATOM 407 CA ILE A 25 66.801 1.657 3.633 1.00 15.00 C ATOM 408 C ILE A 25 66.549 3.043 3.034 1.00 15.00 C ATOM 409 O ILE A 25 67.303 3.513 2.202 1.00 15.00 O ATOM 410 CB ILE A 25 67.940 1.722 4.667 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.484 0.312 4.990 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.412 2.368 5.953 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.358 -0.603 5.493 1.00 15.00 C ATOM 0 H ILE A 25 68.195 0.870 2.209 1.00 15.00 H new ATOM 0 HA ILE A 25 65.874 1.319 4.097 1.00 15.00 H new ATOM 0 HB ILE A 25 68.754 2.315 4.249 1.00 15.00 H new ATOM 0 HG12 ILE A 25 68.940 -0.120 4.099 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.266 0.383 5.746 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.213 2.418 6.691 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.057 3.375 5.735 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.590 1.771 6.349 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.763 -1.590 5.714 1.00 15.00 H new ATOM 0 HD12 ILE A 25 66.921 -0.179 6.397 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.589 -0.690 4.725 1.00 15.00 H new ATOM 425 N LEU A 26 65.492 3.696 3.455 1.00 15.00 N ATOM 426 CA LEU A 26 65.144 5.039 2.881 1.00 15.00 C ATOM 427 C LEU A 26 66.257 6.048 3.173 1.00 15.00 C ATOM 428 O LEU A 26 66.439 6.465 4.300 1.00 15.00 O ATOM 429 CB LEU A 26 63.852 5.457 3.590 1.00 15.00 C ATOM 430 CG LEU A 26 63.198 6.613 2.830 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.493 6.075 1.582 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.174 7.300 3.737 1.00 15.00 C ATOM 0 H LEU A 26 64.852 3.357 4.174 1.00 15.00 H new ATOM 0 HA LEU A 26 65.023 5.000 1.798 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.166 4.611 3.646 1.00 15.00 H new ATOM 0 HB3 LEU A 26 64.069 5.759 4.614 1.00 15.00 H new ATOM 0 HG LEU A 26 63.963 7.330 2.531 1.00 15.00 H new ATOM 0 HD11 LEU A 26 62.028 6.900 1.043 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.221 5.584 0.936 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.727 5.358 1.877 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.706 8.124 3.199 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.411 6.581 4.034 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.675 7.685 4.625 1.00 15.00 H new ATOM 444 N TYR A 27 66.997 6.440 2.164 1.00 15.00 N ATOM 445 CA TYR A 27 68.133 7.387 2.383 1.00 15.00 C ATOM 446 C TYR A 27 67.663 8.833 2.207 1.00 15.00 C ATOM 447 O TYR A 27 67.879 9.670 3.064 1.00 15.00 O ATOM 448 CB TYR A 27 69.168 7.025 1.317 1.00 15.00 C ATOM 449 CG TYR A 27 70.453 7.809 1.439 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.264 7.662 2.591 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.846 8.692 0.404 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.467 8.397 2.709 1.00 15.00 C ATOM 453 CE2 TYR A 27 72.050 9.428 0.522 1.00 15.00 C ATOM 454 CZ TYR A 27 72.861 9.281 1.674 1.00 15.00 C ATOM 455 OH TYR A 27 74.034 9.999 1.788 1.00 15.00 O ATOM 0 H TYR A 27 66.862 6.144 1.197 1.00 15.00 H new ATOM 0 HA TYR A 27 68.543 7.309 3.390 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.392 5.961 1.386 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.738 7.197 0.330 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.964 6.988 3.380 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.228 8.804 -0.475 1.00 15.00 H new ATOM 0 HE1 TYR A 27 73.085 8.284 3.588 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.350 10.102 -0.267 1.00 15.00 H new ATOM 0 HH TYR A 27 74.155 10.556 0.991 1.00 15.00 H new ATOM 465 N THR A 28 67.023 9.130 1.101 1.00 15.00 N ATOM 466 CA THR A 28 66.545 10.528 0.858 1.00 15.00 C ATOM 467 C THR A 28 65.200 10.514 0.127 1.00 15.00 C ATOM 468 O THR A 28 64.957 9.679 -0.724 1.00 15.00 O ATOM 469 CB THR A 28 67.623 11.177 -0.012 1.00 15.00 C ATOM 470 OG1 THR A 28 67.971 10.298 -1.072 1.00 15.00 O ATOM 471 CG2 THR A 28 68.860 11.473 0.837 1.00 15.00 C ATOM 0 H THR A 28 66.811 8.465 0.357 1.00 15.00 H new ATOM 0 HA THR A 28 66.392 11.074 1.789 1.00 15.00 H new ATOM 0 HB THR A 28 67.240 12.109 -0.426 1.00 15.00 H new ATOM 0 HG1 THR A 28 68.537 10.771 -1.717 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.626 11.935 0.215 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.592 12.152 1.647 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.245 10.543 1.256 1.00 15.00 H new ATOM 479 N ILE A 29 64.330 11.439 0.455 1.00 15.00 N ATOM 480 CA ILE A 29 62.978 11.475 -0.187 1.00 15.00 C ATOM 481 C ILE A 29 62.831 12.763 -1.010 1.00 15.00 C ATOM 482 O ILE A 29 63.022 13.853 -0.503 1.00 15.00 O ATOM 483 CB ILE A 29 61.972 11.464 0.980 1.00 15.00 C ATOM 484 CG1 ILE A 29 62.181 10.218 1.852 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.542 11.449 0.428 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.401 10.372 3.161 1.00 15.00 C ATOM 0 H ILE A 29 64.499 12.173 1.142 1.00 15.00 H new ATOM 0 HA ILE A 29 62.817 10.635 -0.863 1.00 15.00 H new ATOM 0 HB ILE A 29 62.130 12.358 1.583 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.846 9.328 1.319 1.00 15.00 H new ATOM 0 HG13 ILE A 29 63.242 10.083 2.063 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.833 11.441 1.256 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.378 12.337 -0.182 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.397 10.558 -0.183 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.550 9.487 3.780 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.758 11.252 3.696 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.340 10.486 2.941 1.00 15.00 H new ATOM 498 N ASP A 30 62.495 12.641 -2.273 1.00 15.00 N ATOM 499 CA ASP A 30 62.273 13.854 -3.118 1.00 15.00 C ATOM 500 C ASP A 30 60.794 13.962 -3.492 1.00 15.00 C ATOM 501 O ASP A 30 60.342 13.347 -4.442 1.00 15.00 O ATOM 502 CB ASP A 30 63.133 13.631 -4.363 1.00 15.00 C ATOM 503 CG ASP A 30 63.165 14.912 -5.200 1.00 15.00 C ATOM 504 OD1 ASP A 30 64.254 15.358 -5.522 1.00 15.00 O ATOM 505 OD2 ASP A 30 62.101 15.424 -5.505 1.00 15.00 O ATOM 0 H ASP A 30 62.365 11.751 -2.754 1.00 15.00 H new ATOM 0 HA ASP A 30 62.540 14.778 -2.604 1.00 15.00 H new ATOM 0 HB2 ASP A 30 64.145 13.349 -4.073 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.730 12.808 -4.954 1.00 15.00 H new ATOM 510 N THR A 31 60.040 14.737 -2.751 1.00 15.00 N ATOM 511 CA THR A 31 58.569 14.837 -3.011 1.00 15.00 C ATOM 512 C THR A 31 58.307 15.606 -4.309 1.00 15.00 C ATOM 513 O THR A 31 57.407 15.281 -5.060 1.00 15.00 O ATOM 514 CB THR A 31 57.994 15.597 -1.812 1.00 15.00 C ATOM 515 OG1 THR A 31 58.456 15.000 -0.610 1.00 15.00 O ATOM 516 CG2 THR A 31 56.465 15.544 -1.856 1.00 15.00 C ATOM 0 H THR A 31 60.380 15.306 -1.976 1.00 15.00 H new ATOM 0 HA THR A 31 58.110 13.855 -3.126 1.00 15.00 H new ATOM 0 HB THR A 31 58.320 16.637 -1.851 1.00 15.00 H new ATOM 0 HG1 THR A 31 58.090 15.486 0.158 1.00 15.00 H new ATOM 0 HG21 THR A 31 56.057 16.085 -1.002 1.00 15.00 H new ATOM 0 HG22 THR A 31 56.111 16.003 -2.779 1.00 15.00 H new ATOM 0 HG23 THR A 31 56.136 14.506 -1.818 1.00 15.00 H new ATOM 524 N GLU A 32 59.094 16.619 -4.582 1.00 15.00 N ATOM 525 CA GLU A 32 58.793 17.535 -5.733 1.00 15.00 C ATOM 526 C GLU A 32 58.747 16.760 -7.057 1.00 15.00 C ATOM 527 O GLU A 32 58.045 17.140 -7.978 1.00 15.00 O ATOM 528 CB GLU A 32 59.938 18.552 -5.755 1.00 15.00 C ATOM 529 CG GLU A 32 59.865 19.430 -4.504 1.00 15.00 C ATOM 530 CD GLU A 32 60.962 20.495 -4.563 1.00 15.00 C ATOM 531 OE1 GLU A 32 62.110 20.149 -4.335 1.00 15.00 O ATOM 532 OE2 GLU A 32 60.636 21.639 -4.836 1.00 15.00 O ATOM 0 H GLU A 32 59.936 16.853 -4.056 1.00 15.00 H new ATOM 0 HA GLU A 32 57.820 18.013 -5.616 1.00 15.00 H new ATOM 0 HB2 GLU A 32 60.897 18.035 -5.794 1.00 15.00 H new ATOM 0 HB3 GLU A 32 59.872 19.170 -6.650 1.00 15.00 H new ATOM 0 HG2 GLU A 32 58.886 19.905 -4.436 1.00 15.00 H new ATOM 0 HG3 GLU A 32 59.985 18.818 -3.610 1.00 15.00 H new ATOM 539 N ASN A 33 59.486 15.683 -7.158 1.00 15.00 N ATOM 540 CA ASN A 33 59.536 14.916 -8.445 1.00 15.00 C ATOM 541 C ASN A 33 58.965 13.497 -8.280 1.00 15.00 C ATOM 542 O ASN A 33 59.153 12.656 -9.136 1.00 15.00 O ATOM 543 CB ASN A 33 61.022 14.850 -8.804 1.00 15.00 C ATOM 544 CG ASN A 33 61.534 16.253 -9.152 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.794 17.082 -9.645 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.782 16.553 -8.916 1.00 15.00 N ATOM 0 H ASN A 33 60.058 15.300 -6.405 1.00 15.00 H new ATOM 0 HA ASN A 33 58.937 15.396 -9.218 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.590 14.442 -7.968 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.172 14.178 -9.649 1.00 15.00 H new ATOM 0 HD21 ASN A 33 63.135 17.482 -9.145 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.404 15.858 -8.502 1.00 15.00 H new ATOM 553 N SER A 34 58.271 13.225 -7.190 1.00 15.00 N ATOM 554 CA SER A 34 57.725 11.845 -6.932 1.00 15.00 C ATOM 555 C SER A 34 58.811 10.766 -7.112 1.00 15.00 C ATOM 556 O SER A 34 58.604 9.765 -7.775 1.00 15.00 O ATOM 557 CB SER A 34 56.578 11.662 -7.941 1.00 15.00 C ATOM 558 OG SER A 34 57.095 11.239 -9.197 1.00 15.00 O ATOM 0 H SER A 34 58.058 13.908 -6.462 1.00 15.00 H new ATOM 0 HA SER A 34 57.375 11.739 -5.905 1.00 15.00 H new ATOM 0 HB2 SER A 34 55.867 10.926 -7.565 1.00 15.00 H new ATOM 0 HB3 SER A 34 56.035 12.599 -8.060 1.00 15.00 H new ATOM 0 HG SER A 34 57.680 11.936 -9.562 1.00 15.00 H new ATOM 564 N THR A 35 59.967 10.970 -6.520 1.00 15.00 N ATOM 565 CA THR A 35 61.077 9.976 -6.663 1.00 15.00 C ATOM 566 C THR A 35 61.689 9.659 -5.296 1.00 15.00 C ATOM 567 O THR A 35 61.715 10.490 -4.407 1.00 15.00 O ATOM 568 CB THR A 35 62.113 10.649 -7.571 1.00 15.00 C ATOM 569 OG1 THR A 35 62.475 11.911 -7.025 1.00 15.00 O ATOM 570 CG2 THR A 35 61.537 10.841 -8.979 1.00 15.00 C ATOM 0 H THR A 35 60.187 11.783 -5.944 1.00 15.00 H new ATOM 0 HA THR A 35 60.725 9.032 -7.080 1.00 15.00 H new ATOM 0 HB THR A 35 62.996 10.013 -7.635 1.00 15.00 H new ATOM 0 HG1 THR A 35 63.138 12.340 -7.605 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.282 11.320 -9.615 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.271 9.871 -9.399 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.648 11.469 -8.926 1.00 15.00 H new ATOM 578 N VAL A 36 62.185 8.457 -5.127 1.00 15.00 N ATOM 579 CA VAL A 36 62.799 8.062 -3.821 1.00 15.00 C ATOM 580 C VAL A 36 64.177 7.437 -4.070 1.00 15.00 C ATOM 581 O VAL A 36 64.358 6.666 -4.994 1.00 15.00 O ATOM 582 CB VAL A 36 61.830 7.035 -3.214 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.360 6.556 -1.859 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.454 7.678 -3.010 1.00 15.00 C ATOM 0 H VAL A 36 62.191 7.729 -5.842 1.00 15.00 H new ATOM 0 HA VAL A 36 62.948 8.910 -3.152 1.00 15.00 H new ATOM 0 HB VAL A 36 61.744 6.188 -3.895 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.668 5.828 -1.434 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.337 6.092 -1.994 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.452 7.406 -1.183 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.771 6.946 -2.580 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.546 8.529 -2.335 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.065 8.017 -3.970 1.00 15.00 H new ATOM 594 N ALA A 37 65.146 7.766 -3.249 1.00 15.00 N ATOM 595 CA ALA A 37 66.507 7.162 -3.403 1.00 15.00 C ATOM 596 C ALA A 37 66.800 6.231 -2.225 1.00 15.00 C ATOM 597 O ALA A 37 66.666 6.615 -1.075 1.00 15.00 O ATOM 598 CB ALA A 37 67.480 8.347 -3.412 1.00 15.00 C ATOM 0 H ALA A 37 65.052 8.428 -2.478 1.00 15.00 H new ATOM 0 HA ALA A 37 66.594 6.567 -4.312 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.500 7.979 -3.522 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.241 9.008 -4.245 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.392 8.897 -2.475 1.00 15.00 H new ATOM 604 N LEU A 38 67.203 5.016 -2.508 1.00 15.00 N ATOM 605 CA LEU A 38 67.485 4.033 -1.417 1.00 15.00 C ATOM 606 C LEU A 38 68.962 3.640 -1.440 1.00 15.00 C ATOM 607 O LEU A 38 69.535 3.420 -2.492 1.00 15.00 O ATOM 608 CB LEU A 38 66.613 2.815 -1.736 1.00 15.00 C ATOM 609 CG LEU A 38 65.142 3.139 -1.467 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.260 2.086 -2.142 1.00 15.00 C ATOM 611 CD2 LEU A 38 64.882 3.121 0.041 1.00 15.00 C ATOM 0 H LEU A 38 67.349 4.662 -3.453 1.00 15.00 H new ATOM 0 HA LEU A 38 67.269 4.442 -0.430 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.745 2.526 -2.779 1.00 15.00 H new ATOM 0 HB3 LEU A 38 66.924 1.966 -1.128 1.00 15.00 H new ATOM 0 HG LEU A 38 64.909 4.126 -1.866 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.211 2.314 -1.952 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.444 2.092 -3.216 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.496 1.101 -1.739 1.00 15.00 H new ATOM 0 HD21 LEU A 38 63.834 3.352 0.232 1.00 15.00 H new ATOM 0 HD22 LEU A 38 65.114 2.133 0.439 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.512 3.865 0.528 1.00 15.00 H new ATOM 623 N ALA A 39 69.579 3.553 -0.288 1.00 15.00 N ATOM 624 CA ALA A 39 71.013 3.141 -0.226 1.00 15.00 C ATOM 625 C ALA A 39 71.133 1.782 0.465 1.00 15.00 C ATOM 626 O ALA A 39 70.210 1.329 1.122 1.00 15.00 O ATOM 627 CB ALA A 39 71.705 4.228 0.597 1.00 15.00 C ATOM 0 H ALA A 39 69.148 3.751 0.615 1.00 15.00 H new ATOM 0 HA ALA A 39 71.460 3.039 -1.215 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.766 3.996 0.688 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.586 5.191 0.101 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.257 4.273 1.590 1.00 15.00 H new ATOM 633 N LYS A 40 72.267 1.125 0.322 1.00 15.00 N ATOM 634 CA LYS A 40 72.458 -0.243 0.920 1.00 15.00 C ATOM 635 C LYS A 40 71.306 -1.175 0.510 1.00 15.00 C ATOM 636 O LYS A 40 70.628 -1.750 1.343 1.00 15.00 O ATOM 637 CB LYS A 40 72.481 -0.030 2.440 1.00 15.00 C ATOM 638 CG LYS A 40 73.719 0.784 2.824 1.00 15.00 C ATOM 639 CD LYS A 40 73.795 0.912 4.347 1.00 15.00 C ATOM 640 CE LYS A 40 74.969 1.816 4.726 1.00 15.00 C ATOM 641 NZ LYS A 40 74.444 3.203 4.595 1.00 15.00 N ATOM 0 H LYS A 40 73.075 1.482 -0.188 1.00 15.00 H new ATOM 0 HA LYS A 40 73.377 -0.714 0.572 1.00 15.00 H new ATOM 0 HB2 LYS A 40 71.578 0.490 2.758 1.00 15.00 H new ATOM 0 HB3 LYS A 40 72.492 -0.992 2.952 1.00 15.00 H new ATOM 0 HG2 LYS A 40 74.618 0.299 2.444 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.673 1.773 2.367 1.00 15.00 H new ATOM 0 HD2 LYS A 40 72.864 1.326 4.735 1.00 15.00 H new ATOM 0 HD3 LYS A 40 73.919 -0.072 4.799 1.00 15.00 H new ATOM 0 HE2 LYS A 40 75.309 1.617 5.742 1.00 15.00 H new ATOM 0 HE3 LYS A 40 75.822 1.653 4.067 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 75.161 3.804 4.141 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 73.582 3.194 4.014 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 74.222 3.581 5.538 1.00 15.00 H new ATOM 655 N VAL A 41 71.088 -1.323 -0.775 1.00 15.00 N ATOM 656 CA VAL A 41 69.912 -2.111 -1.259 1.00 15.00 C ATOM 657 C VAL A 41 70.381 -3.344 -2.044 1.00 15.00 C ATOM 658 O VAL A 41 71.397 -3.315 -2.714 1.00 15.00 O ATOM 659 CB VAL A 41 69.116 -1.137 -2.150 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.938 -0.733 -3.382 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.814 -1.803 -2.609 1.00 15.00 C ATOM 0 H VAL A 41 71.676 -0.931 -1.511 1.00 15.00 H new ATOM 0 HA VAL A 41 69.298 -2.490 -0.442 1.00 15.00 H new ATOM 0 HB VAL A 41 68.891 -0.244 -1.567 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.358 -0.045 -3.997 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.858 -0.245 -3.061 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.183 -1.622 -3.964 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.254 -1.112 -3.239 1.00 15.00 H new ATOM 0 HG22 VAL A 41 68.047 -2.704 -3.177 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.214 -2.068 -1.738 1.00 15.00 H new ATOM 671 N ARG A 42 69.643 -4.422 -1.958 1.00 15.00 N ATOM 672 CA ARG A 42 70.013 -5.662 -2.705 1.00 15.00 C ATOM 673 C ARG A 42 68.775 -6.255 -3.384 1.00 15.00 C ATOM 674 O ARG A 42 67.666 -6.106 -2.902 1.00 15.00 O ATOM 675 CB ARG A 42 70.554 -6.620 -1.642 1.00 15.00 C ATOM 676 CG ARG A 42 71.185 -7.836 -2.324 1.00 15.00 C ATOM 677 CD ARG A 42 71.764 -8.774 -1.261 1.00 15.00 C ATOM 678 NE ARG A 42 70.575 -9.343 -0.554 1.00 15.00 N ATOM 679 CZ ARG A 42 69.833 -10.290 -1.098 1.00 15.00 C ATOM 680 NH1 ARG A 42 70.095 -10.768 -2.294 1.00 15.00 N ATOM 681 NH2 ARG A 42 68.814 -10.761 -0.434 1.00 15.00 N ATOM 0 H ARG A 42 68.794 -4.496 -1.398 1.00 15.00 H new ATOM 0 HA ARG A 42 70.746 -5.471 -3.489 1.00 15.00 H new ATOM 0 HB2 ARG A 42 71.294 -6.113 -1.023 1.00 15.00 H new ATOM 0 HB3 ARG A 42 69.748 -6.938 -0.980 1.00 15.00 H new ATOM 0 HG2 ARG A 42 70.438 -8.361 -2.919 1.00 15.00 H new ATOM 0 HG3 ARG A 42 71.971 -7.516 -3.008 1.00 15.00 H new ATOM 0 HD2 ARG A 42 72.366 -9.561 -1.715 1.00 15.00 H new ATOM 0 HD3 ARG A 42 72.412 -8.235 -0.570 1.00 15.00 H new ATOM 0 HE ARG A 42 70.331 -8.991 0.372 1.00 15.00 H new ATOM 0 HH11 ARG A 42 70.888 -10.407 -2.825 1.00 15.00 H new ATOM 0 HH12 ARG A 42 69.506 -11.500 -2.691 1.00 15.00 H new ATOM 0 HH21 ARG A 42 68.598 -10.398 0.494 1.00 15.00 H new ATOM 0 HH22 ARG A 42 68.233 -11.493 -0.843 1.00 15.00 H new ATOM 695 N SER A 43 68.959 -6.924 -4.496 1.00 15.00 N ATOM 696 CA SER A 43 67.801 -7.546 -5.208 1.00 15.00 C ATOM 697 C SER A 43 67.716 -9.037 -4.866 1.00 15.00 C ATOM 698 O SER A 43 68.705 -9.747 -4.912 1.00 15.00 O ATOM 699 CB SER A 43 68.097 -7.339 -6.696 1.00 15.00 C ATOM 700 OG SER A 43 69.153 -8.204 -7.094 1.00 15.00 O ATOM 0 H SER A 43 69.865 -7.066 -4.942 1.00 15.00 H new ATOM 0 HA SER A 43 66.846 -7.104 -4.923 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.204 -7.542 -7.287 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.373 -6.301 -6.882 1.00 15.00 H new ATOM 0 HG SER A 43 69.235 -8.938 -6.450 1.00 15.00 H new ATOM 706 N PHE A 44 66.543 -9.514 -4.525 1.00 15.00 N ATOM 707 CA PHE A 44 66.404 -10.940 -4.087 1.00 15.00 C ATOM 708 C PHE A 44 66.573 -11.888 -5.278 1.00 15.00 C ATOM 709 O PHE A 44 67.193 -12.929 -5.163 1.00 15.00 O ATOM 710 CB PHE A 44 64.991 -11.055 -3.511 1.00 15.00 C ATOM 711 CG PHE A 44 64.861 -10.499 -2.113 1.00 15.00 C ATOM 712 CD1 PHE A 44 65.470 -11.171 -1.024 1.00 15.00 C ATOM 713 CD2 PHE A 44 64.131 -9.306 -1.890 1.00 15.00 C ATOM 714 CE1 PHE A 44 65.348 -10.649 0.286 1.00 15.00 C ATOM 715 CE2 PHE A 44 64.009 -8.786 -0.579 1.00 15.00 C ATOM 716 CZ PHE A 44 64.618 -9.457 0.509 1.00 15.00 C ATOM 0 H PHE A 44 65.675 -8.978 -4.531 1.00 15.00 H new ATOM 0 HA PHE A 44 67.164 -11.212 -3.355 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.296 -10.531 -4.167 1.00 15.00 H new ATOM 0 HB3 PHE A 44 64.694 -12.104 -3.505 1.00 15.00 H new ATOM 0 HD1 PHE A 44 66.027 -12.081 -1.194 1.00 15.00 H new ATOM 0 HD2 PHE A 44 63.668 -8.793 -2.720 1.00 15.00 H new ATOM 0 HE1 PHE A 44 65.812 -11.161 1.116 1.00 15.00 H new ATOM 0 HE2 PHE A 44 63.451 -7.877 -0.409 1.00 15.00 H new ATOM 0 HZ PHE A 44 64.526 -9.059 1.509 1.00 15.00 H new ATOM 984 N PHE A 62 74.271 -2.795 -3.835 1.00 15.00 N ATOM 985 CA PHE A 62 74.401 -1.487 -4.546 1.00 15.00 C ATOM 986 C PHE A 62 74.370 -0.338 -3.535 1.00 15.00 C ATOM 987 O PHE A 62 73.489 -0.265 -2.696 1.00 15.00 O ATOM 988 CB PHE A 62 73.189 -1.419 -5.474 1.00 15.00 C ATOM 989 CG PHE A 62 73.200 -2.472 -6.557 1.00 15.00 C ATOM 990 CD1 PHE A 62 74.031 -2.311 -7.692 1.00 15.00 C ATOM 991 CD2 PHE A 62 72.380 -3.620 -6.437 1.00 15.00 C ATOM 992 CE1 PHE A 62 74.041 -3.297 -8.708 1.00 15.00 C ATOM 993 CE2 PHE A 62 72.391 -4.607 -7.453 1.00 15.00 C ATOM 994 CZ PHE A 62 73.221 -4.446 -8.589 1.00 15.00 C ATOM 0 HA PHE A 62 75.338 -1.404 -5.096 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.281 -1.528 -4.881 1.00 15.00 H new ATOM 0 HB3 PHE A 62 73.151 -0.433 -5.937 1.00 15.00 H new ATOM 0 HD1 PHE A 62 74.657 -1.436 -7.783 1.00 15.00 H new ATOM 0 HD2 PHE A 62 71.746 -3.743 -5.571 1.00 15.00 H new ATOM 0 HE1 PHE A 62 74.674 -3.173 -9.574 1.00 15.00 H new ATOM 0 HE2 PHE A 62 71.766 -5.483 -7.361 1.00 15.00 H new ATOM 0 HZ PHE A 62 73.229 -5.198 -9.364 1.00 15.00 H new ATOM 1004 N GLU A 63 75.325 0.557 -3.614 1.00 15.00 N ATOM 1005 CA GLU A 63 75.411 1.668 -2.613 1.00 15.00 C ATOM 1006 C GLU A 63 74.229 2.631 -2.768 1.00 15.00 C ATOM 1007 O GLU A 63 73.657 3.077 -1.791 1.00 15.00 O ATOM 1008 CB GLU A 63 76.729 2.390 -2.916 1.00 15.00 C ATOM 1009 CG GLU A 63 77.904 1.464 -2.596 1.00 15.00 C ATOM 1010 CD GLU A 63 79.220 2.208 -2.832 1.00 15.00 C ATOM 1011 OE1 GLU A 63 79.838 2.601 -1.857 1.00 15.00 O ATOM 1012 OE2 GLU A 63 79.586 2.373 -3.985 1.00 15.00 O ATOM 0 H GLU A 63 76.051 0.566 -4.331 1.00 15.00 H new ATOM 0 HA GLU A 63 75.378 1.290 -1.591 1.00 15.00 H new ATOM 0 HB2 GLU A 63 76.761 2.686 -3.964 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.800 3.303 -2.325 1.00 15.00 H new ATOM 0 HG2 GLU A 63 77.845 1.128 -1.561 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.860 0.573 -3.223 1.00 15.00 H new ATOM 1019 N TYR A 64 73.861 2.952 -3.986 1.00 15.00 N ATOM 1020 CA TYR A 64 72.760 3.939 -4.205 1.00 15.00 C ATOM 1021 C TYR A 64 72.027 3.646 -5.519 1.00 15.00 C ATOM 1022 O TYR A 64 72.624 3.630 -6.579 1.00 15.00 O ATOM 1023 CB TYR A 64 73.462 5.296 -4.275 1.00 15.00 C ATOM 1024 CG TYR A 64 72.530 6.475 -4.114 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.536 6.735 -5.089 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.655 7.326 -2.988 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.669 7.844 -4.939 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.787 8.434 -2.839 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.794 8.694 -3.813 1.00 15.00 C ATOM 1030 OH TYR A 64 69.950 9.774 -3.667 1.00 15.00 O ATOM 0 H TYR A 64 74.277 2.572 -4.837 1.00 15.00 H new ATOM 0 HA TYR A 64 72.010 3.902 -3.415 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.226 5.340 -3.498 1.00 15.00 H new ATOM 0 HB3 TYR A 64 73.976 5.379 -5.233 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.439 6.087 -5.947 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.412 7.129 -2.244 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.912 8.042 -5.683 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.883 9.082 -1.980 1.00 15.00 H new ATOM 0 HH TYR A 64 70.170 10.252 -2.840 1.00 15.00 H new ATOM 1040 N ILE A 65 70.738 3.416 -5.450 1.00 15.00 N ATOM 1041 CA ILE A 65 69.920 3.278 -6.700 1.00 15.00 C ATOM 1042 C ILE A 65 68.659 4.144 -6.586 1.00 15.00 C ATOM 1043 O ILE A 65 68.124 4.336 -5.508 1.00 15.00 O ATOM 1044 CB ILE A 65 69.565 1.781 -6.806 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.859 0.955 -6.911 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.710 1.534 -8.059 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.540 -0.542 -6.835 1.00 15.00 C ATOM 0 H ILE A 65 70.214 3.317 -4.580 1.00 15.00 H new ATOM 0 HA ILE A 65 70.457 3.611 -7.588 1.00 15.00 H new ATOM 0 HB ILE A 65 69.005 1.484 -5.919 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.367 1.179 -7.849 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.541 1.230 -6.106 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.463 0.475 -8.128 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.792 2.117 -7.994 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.268 1.835 -8.946 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.464 -1.115 -6.910 1.00 15.00 H new ATOM 0 HD12 ILE A 65 70.053 -0.762 -5.885 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.876 -0.815 -7.655 1.00 15.00 H new ATOM 1059 N ILE A 66 68.185 4.665 -7.694 1.00 15.00 N ATOM 1060 CA ILE A 66 66.993 5.571 -7.662 1.00 15.00 C ATOM 1061 C ILE A 66 65.790 4.878 -8.315 1.00 15.00 C ATOM 1062 O ILE A 66 65.916 4.229 -9.338 1.00 15.00 O ATOM 1063 CB ILE A 66 67.407 6.815 -8.467 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.616 7.486 -7.806 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.249 7.819 -8.511 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.228 8.503 -8.772 1.00 15.00 C ATOM 0 H ILE A 66 68.575 4.501 -8.622 1.00 15.00 H new ATOM 0 HA ILE A 66 66.699 5.831 -6.645 1.00 15.00 H new ATOM 0 HB ILE A 66 67.665 6.504 -9.480 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.311 7.982 -6.884 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.358 6.735 -7.534 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.550 8.697 -9.083 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.384 7.356 -8.986 1.00 15.00 H new ATOM 0 HG23 ILE A 66 65.989 8.119 -7.496 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.088 8.980 -8.302 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.548 7.994 -9.681 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.485 9.260 -9.022 1.00 15.00 H new ATOM 1078 N PHE A 67 64.627 5.014 -7.725 1.00 15.00 N ATOM 1079 CA PHE A 67 63.385 4.467 -8.351 1.00 15.00 C ATOM 1080 C PHE A 67 62.309 5.554 -8.407 1.00 15.00 C ATOM 1081 O PHE A 67 62.189 6.362 -7.504 1.00 15.00 O ATOM 1082 CB PHE A 67 62.947 3.325 -7.434 1.00 15.00 C ATOM 1083 CG PHE A 67 63.892 2.147 -7.446 1.00 15.00 C ATOM 1084 CD1 PHE A 67 63.949 1.295 -8.576 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.721 1.892 -6.327 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.835 0.190 -8.587 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.607 0.788 -6.337 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.664 -0.064 -7.467 1.00 15.00 C ATOM 0 H PHE A 67 64.485 5.484 -6.831 1.00 15.00 H new ATOM 0 HA PHE A 67 63.550 4.125 -9.373 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.860 3.701 -6.415 1.00 15.00 H new ATOM 0 HB3 PHE A 67 61.955 2.988 -7.735 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.316 1.488 -9.430 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.677 2.541 -5.465 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.878 -0.459 -9.449 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.239 0.595 -5.483 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.339 -0.907 -7.475 1.00 15.00 H new ATOM 1098 N ARG A 68 61.529 5.581 -9.460 1.00 15.00 N ATOM 1099 CA ARG A 68 60.472 6.632 -9.594 1.00 15.00 C ATOM 1100 C ARG A 68 59.084 6.008 -9.432 1.00 15.00 C ATOM 1101 O ARG A 68 58.881 4.843 -9.720 1.00 15.00 O ATOM 1102 CB ARG A 68 60.645 7.199 -11.005 1.00 15.00 C ATOM 1103 CG ARG A 68 61.992 7.918 -11.110 1.00 15.00 C ATOM 1104 CD ARG A 68 62.065 8.680 -12.437 1.00 15.00 C ATOM 1105 NE ARG A 68 63.468 9.201 -12.520 1.00 15.00 N ATOM 1106 CZ ARG A 68 63.794 10.169 -13.356 1.00 15.00 C ATOM 1107 NH1 ARG A 68 62.908 10.714 -14.159 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.026 10.594 -13.387 1.00 15.00 N ATOM 0 H ARG A 68 61.579 4.919 -10.234 1.00 15.00 H new ATOM 0 HA ARG A 68 60.564 7.407 -8.833 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.593 6.395 -11.739 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.834 7.891 -11.231 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.113 8.608 -10.275 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.807 7.197 -11.048 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.838 8.026 -13.279 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.341 9.495 -12.463 1.00 15.00 H new ATOM 0 HE ARG A 68 64.186 8.799 -11.918 1.00 15.00 H new ATOM 0 HH11 ARG A 68 61.941 10.390 -14.146 1.00 15.00 H new ATOM 0 HH12 ARG A 68 63.187 11.461 -14.795 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.724 10.179 -12.770 1.00 15.00 H new ATOM 0 HH22 ARG A 68 65.292 11.341 -14.028 1.00 15.00 H new ATOM 1122 N GLY A 69 58.125 6.779 -8.973 1.00 15.00 N ATOM 1123 CA GLY A 69 56.743 6.239 -8.757 1.00 15.00 C ATOM 1124 C GLY A 69 56.178 5.651 -10.060 1.00 15.00 C ATOM 1125 O GLY A 69 55.331 4.778 -10.033 1.00 15.00 O ATOM 0 H GLY A 69 58.241 7.765 -8.737 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.765 5.470 -7.985 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.089 7.034 -8.397 1.00 15.00 H new ATOM 1129 N SER A 70 56.640 6.123 -11.195 1.00 15.00 N ATOM 1130 CA SER A 70 56.095 5.625 -12.501 1.00 15.00 C ATOM 1131 C SER A 70 56.461 4.152 -12.716 1.00 15.00 C ATOM 1132 O SER A 70 55.636 3.357 -13.127 1.00 15.00 O ATOM 1133 CB SER A 70 56.751 6.498 -13.574 1.00 15.00 C ATOM 1134 OG SER A 70 58.144 6.220 -13.619 1.00 15.00 O ATOM 0 H SER A 70 57.370 6.831 -11.274 1.00 15.00 H new ATOM 0 HA SER A 70 55.007 5.687 -12.532 1.00 15.00 H new ATOM 0 HB2 SER A 70 56.298 6.302 -14.546 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.586 7.552 -13.352 1.00 15.00 H new ATOM 0 HG SER A 70 58.567 6.776 -14.306 1.00 15.00 H new ATOM 1140 N ASP A 71 57.690 3.784 -12.440 1.00 15.00 N ATOM 1141 CA ASP A 71 58.132 2.373 -12.696 1.00 15.00 C ATOM 1142 C ASP A 71 57.733 1.459 -11.527 1.00 15.00 C ATOM 1143 O ASP A 71 57.456 0.289 -11.716 1.00 15.00 O ATOM 1144 CB ASP A 71 59.662 2.438 -12.851 1.00 15.00 C ATOM 1145 CG ASP A 71 60.315 2.943 -11.558 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.533 2.133 -10.672 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.587 4.129 -11.480 1.00 15.00 O ATOM 0 H ASP A 71 58.406 4.397 -12.049 1.00 15.00 H new ATOM 0 HA ASP A 71 57.660 1.957 -13.587 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.050 1.450 -13.099 1.00 15.00 H new ATOM 0 HB3 ASP A 71 59.921 3.099 -13.678 1.00 15.00 H new ATOM 1152 N ILE A 72 57.704 1.988 -10.327 1.00 15.00 N ATOM 1153 CA ILE A 72 57.348 1.149 -9.133 1.00 15.00 C ATOM 1154 C ILE A 72 55.888 0.685 -9.237 1.00 15.00 C ATOM 1155 O ILE A 72 55.031 1.411 -9.705 1.00 15.00 O ATOM 1156 CB ILE A 72 57.544 2.060 -7.907 1.00 15.00 C ATOM 1157 CG1 ILE A 72 59.005 2.518 -7.825 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.194 1.294 -6.626 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.107 3.736 -6.905 1.00 15.00 C ATOM 0 H ILE A 72 57.911 2.965 -10.120 1.00 15.00 H new ATOM 0 HA ILE A 72 57.967 0.254 -9.063 1.00 15.00 H new ATOM 0 HB ILE A 72 56.891 2.927 -8.009 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.630 1.709 -7.446 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.375 2.768 -8.819 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.335 1.945 -5.763 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.155 0.969 -6.669 1.00 15.00 H new ATOM 0 HG23 ILE A 72 57.843 0.423 -6.534 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.146 4.062 -6.846 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.495 4.545 -7.303 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.754 3.470 -5.909 1.00 15.00 H new ATOM 1171 N LYS A 73 55.610 -0.520 -8.800 1.00 15.00 N ATOM 1172 CA LYS A 73 54.212 -1.044 -8.862 1.00 15.00 C ATOM 1173 C LYS A 73 53.582 -1.034 -7.466 1.00 15.00 C ATOM 1174 O LYS A 73 52.450 -0.619 -7.294 1.00 15.00 O ATOM 1175 CB LYS A 73 54.349 -2.477 -9.378 1.00 15.00 C ATOM 1176 CG LYS A 73 52.964 -3.034 -9.713 1.00 15.00 C ATOM 1177 CD LYS A 73 53.094 -4.492 -10.156 1.00 15.00 C ATOM 1178 CE LYS A 73 51.736 -5.000 -10.649 1.00 15.00 C ATOM 1179 NZ LYS A 73 51.649 -4.547 -12.065 1.00 15.00 N ATOM 0 H LYS A 73 56.294 -1.164 -8.402 1.00 15.00 H new ATOM 0 HA LYS A 73 53.572 -0.439 -9.504 1.00 15.00 H new ATOM 0 HB2 LYS A 73 54.984 -2.497 -10.263 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.831 -3.101 -8.626 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.312 -2.964 -8.842 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.504 -2.442 -10.504 1.00 15.00 H new ATOM 0 HD2 LYS A 73 53.836 -4.577 -10.950 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.444 -5.105 -9.326 1.00 15.00 H new ATOM 0 HE2 LYS A 73 51.670 -6.086 -10.577 1.00 15.00 H new ATOM 0 HE3 LYS A 73 50.921 -4.591 -10.052 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 50.678 -4.238 -12.272 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 52.304 -3.754 -12.217 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 51.904 -5.332 -12.697 1.00 15.00 H new ATOM 1193 N ASP A 74 54.308 -1.487 -6.472 1.00 15.00 N ATOM 1194 CA ASP A 74 53.742 -1.543 -5.086 1.00 15.00 C ATOM 1195 C ASP A 74 54.824 -1.223 -4.049 1.00 15.00 C ATOM 1196 O ASP A 74 55.987 -1.522 -4.245 1.00 15.00 O ATOM 1197 CB ASP A 74 53.247 -2.980 -4.920 1.00 15.00 C ATOM 1198 CG ASP A 74 52.421 -3.091 -3.638 1.00 15.00 C ATOM 1199 OD1 ASP A 74 51.242 -2.777 -3.687 1.00 15.00 O ATOM 1200 OD2 ASP A 74 52.979 -3.488 -2.628 1.00 15.00 O ATOM 0 H ASP A 74 55.268 -1.820 -6.560 1.00 15.00 H new ATOM 0 HA ASP A 74 52.944 -0.815 -4.939 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.643 -3.269 -5.780 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.094 -3.665 -4.880 1.00 15.00 H new ATOM 1205 N LEU A 75 54.445 -0.619 -2.947 1.00 15.00 N ATOM 1206 CA LEU A 75 55.438 -0.282 -1.881 1.00 15.00 C ATOM 1207 C LEU A 75 54.940 -0.778 -0.518 1.00 15.00 C ATOM 1208 O LEU A 75 53.808 -0.537 -0.139 1.00 15.00 O ATOM 1209 CB LEU A 75 55.528 1.245 -1.896 1.00 15.00 C ATOM 1210 CG LEU A 75 56.755 1.698 -1.101 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.186 3.088 -1.573 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.409 1.753 0.389 1.00 15.00 C ATOM 0 H LEU A 75 53.485 -0.344 -2.741 1.00 15.00 H new ATOM 0 HA LEU A 75 56.407 -0.750 -2.054 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.595 1.605 -2.923 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.624 1.676 -1.465 1.00 15.00 H new ATOM 0 HG LEU A 75 57.569 0.990 -1.260 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.060 3.410 -1.006 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.435 3.051 -2.634 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.371 3.795 -1.416 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.284 2.076 0.954 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.594 2.459 0.547 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.103 0.763 0.728 1.00 15.00 H new ATOM 1224 N THR A 76 55.780 -1.469 0.217 1.00 15.00 N ATOM 1225 CA THR A 76 55.380 -1.961 1.572 1.00 15.00 C ATOM 1226 C THR A 76 56.425 -1.551 2.616 1.00 15.00 C ATOM 1227 O THR A 76 57.611 -1.542 2.344 1.00 15.00 O ATOM 1228 CB THR A 76 55.324 -3.484 1.438 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.541 -3.829 0.305 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.697 -4.087 2.697 1.00 15.00 C ATOM 0 H THR A 76 56.729 -1.714 -0.066 1.00 15.00 H new ATOM 0 HA THR A 76 54.427 -1.544 1.898 1.00 15.00 H new ATOM 0 HB THR A 76 56.334 -3.875 1.315 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.505 -4.804 0.217 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.658 -5.172 2.600 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.299 -3.822 3.566 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.687 -3.697 2.823 1.00 15.00 H new