USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 130:sc= -0.613 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -127:sc= 0.0925 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.29) USER MOD Single : A 67 THR OG1 : rot 126:sc= -1.39 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.333 8.468 -6.881 1.00 0.00 N ATOM 21 CA VAL A 2 -7.782 7.528 -5.862 1.00 0.00 C ATOM 22 C VAL A 2 -6.701 6.644 -6.489 1.00 0.00 C ATOM 23 O VAL A 2 -6.964 5.869 -7.386 1.00 0.00 O ATOM 24 CB VAL A 2 -8.976 6.684 -5.420 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.544 5.729 -4.306 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.085 7.605 -4.904 1.00 0.00 C ATOM 0 HA VAL A 2 -7.318 8.049 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.347 6.106 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.397 5.127 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.754 5.074 -4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.173 6.304 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.938 7.005 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.714 8.182 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.393 8.284 -5.699 1.00 0.00 H new ATOM 36 N LYS A 3 -5.485 6.758 -6.032 1.00 0.00 N ATOM 37 CA LYS A 3 -4.393 5.924 -6.611 1.00 0.00 C ATOM 38 C LYS A 3 -3.441 5.446 -5.510 1.00 0.00 C ATOM 39 O LYS A 3 -3.120 6.179 -4.596 1.00 0.00 O ATOM 40 CB LYS A 3 -3.660 6.853 -7.579 1.00 0.00 C ATOM 41 CG LYS A 3 -4.348 6.816 -8.945 1.00 0.00 C ATOM 42 CD LYS A 3 -3.405 7.387 -10.005 1.00 0.00 C ATOM 43 CE LYS A 3 -2.266 6.396 -10.262 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.058 7.243 -10.463 1.00 0.00 N ATOM 0 H LYS A 3 -5.200 7.391 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.777 5.032 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.656 7.871 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.619 6.545 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.621 5.792 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.272 7.394 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.951 7.577 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.001 8.343 -9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.136 5.717 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.468 5.781 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.234 6.635 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.208 7.875 -11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.887 7.812 -9.609 1.00 0.00 H new ATOM 58 N ILE A 4 -2.972 4.230 -5.595 1.00 0.00 N ATOM 59 CA ILE A 4 -2.027 3.729 -4.563 1.00 0.00 C ATOM 60 C ILE A 4 -0.625 3.611 -5.169 1.00 0.00 C ATOM 61 O ILE A 4 -0.446 3.066 -6.241 1.00 0.00 O ATOM 62 CB ILE A 4 -2.572 2.374 -4.124 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.886 2.583 -3.375 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.565 1.684 -3.202 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.595 1.241 -3.234 1.00 0.00 C ATOM 0 H ILE A 4 -3.203 3.565 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.944 4.399 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.741 1.749 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.695 3.013 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.519 3.288 -3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.960 0.717 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.625 1.539 -3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.392 2.305 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.535 1.380 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.797 0.831 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.961 0.551 -2.678 1.00 0.00 H new ATOM 77 N ARG A 5 0.370 4.134 -4.501 1.00 0.00 N ATOM 78 CA ARG A 5 1.753 4.068 -5.048 1.00 0.00 C ATOM 79 C ARG A 5 2.781 4.055 -3.917 1.00 0.00 C ATOM 80 O ARG A 5 2.436 4.032 -2.756 1.00 0.00 O ATOM 81 CB ARG A 5 1.905 5.330 -5.899 1.00 0.00 C ATOM 82 CG ARG A 5 1.605 6.563 -5.044 1.00 0.00 C ATOM 83 CD ARG A 5 2.799 7.521 -5.090 1.00 0.00 C ATOM 84 NE ARG A 5 2.221 8.837 -5.491 1.00 0.00 N ATOM 85 CZ ARG A 5 2.989 9.798 -5.952 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.283 9.631 -6.066 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.454 10.938 -6.298 1.00 0.00 N ATOM 0 H ARG A 5 0.282 4.604 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 5 1.919 3.161 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.916 5.391 -6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.226 5.291 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.709 7.064 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.404 6.265 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.292 7.585 -4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.548 7.184 -5.806 1.00 0.00 H new ATOM 0 HE ARG A 5 1.216 8.992 -5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.709 8.745 -5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.865 10.387 -6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.447 11.077 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.043 11.690 -6.657 1.00 0.00 H new ATOM 101 N LEU A 6 4.046 4.086 -4.249 1.00 0.00 N ATOM 102 CA LEU A 6 5.095 4.074 -3.188 1.00 0.00 C ATOM 103 C LEU A 6 5.417 5.507 -2.751 1.00 0.00 C ATOM 104 O LEU A 6 5.774 6.346 -3.554 1.00 0.00 O ATOM 105 CB LEU A 6 6.312 3.426 -3.850 1.00 0.00 C ATOM 106 CG LEU A 6 6.136 1.908 -3.860 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.486 1.477 -5.177 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.501 1.231 -3.720 1.00 0.00 C ATOM 0 H LEU A 6 4.396 4.119 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 6 4.780 3.534 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.426 3.797 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.220 3.694 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 6 5.499 1.613 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.361 0.394 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.512 1.956 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.122 1.774 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.373 0.149 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.141 1.526 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.963 1.535 -2.781 1.00 0.00 H new ATOM 120 N ALA A 7 5.265 5.798 -1.485 1.00 0.00 N ATOM 121 CA ALA A 7 5.530 7.184 -0.996 1.00 0.00 C ATOM 122 C ALA A 7 6.908 7.309 -0.342 1.00 0.00 C ATOM 123 O ALA A 7 7.118 6.850 0.761 1.00 0.00 O ATOM 124 CB ALA A 7 4.456 7.408 0.056 1.00 0.00 C ATOM 0 H ALA A 7 4.969 5.135 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 7 5.513 7.905 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.565 8.406 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.472 7.314 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.560 6.665 0.846 1.00 0.00 H new ATOM 130 N ARG A 8 7.840 7.948 -0.994 1.00 0.00 N ATOM 131 CA ARG A 8 9.187 8.108 -0.379 1.00 0.00 C ATOM 132 C ARG A 8 9.055 8.811 0.973 1.00 0.00 C ATOM 133 O ARG A 8 8.431 9.847 1.091 1.00 0.00 O ATOM 134 CB ARG A 8 9.987 8.966 -1.361 1.00 0.00 C ATOM 135 CG ARG A 8 11.479 8.663 -1.204 1.00 0.00 C ATOM 136 CD ARG A 8 12.245 9.238 -2.398 1.00 0.00 C ATOM 137 NE ARG A 8 13.189 8.158 -2.812 1.00 0.00 N ATOM 138 CZ ARG A 8 14.196 7.811 -2.043 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.400 8.405 -0.893 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.005 6.864 -2.431 1.00 0.00 N ATOM 0 H ARG A 8 7.728 8.363 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 8 9.677 7.151 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.669 8.761 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.798 10.023 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.853 9.095 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.638 7.586 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.568 9.502 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.781 10.146 -2.122 1.00 0.00 H new ATOM 0 HE ARG A 8 13.050 7.683 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.773 9.148 -0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.186 8.125 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.853 6.399 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.789 6.589 -1.839 1.00 0.00 H new ATOM 276 N TYR A 17 9.269 3.204 0.887 1.00 0.00 N ATOM 277 CA TYR A 17 8.080 3.994 0.498 1.00 0.00 C ATOM 278 C TYR A 17 6.832 3.292 1.001 1.00 0.00 C ATOM 279 O TYR A 17 6.834 2.097 1.202 1.00 0.00 O ATOM 280 CB TYR A 17 8.039 3.980 -1.027 1.00 0.00 C ATOM 281 CG TYR A 17 9.386 4.305 -1.611 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.393 3.339 -1.623 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.620 5.569 -2.151 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.639 3.639 -2.171 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.862 5.875 -2.700 1.00 0.00 C ATOM 286 CZ TYR A 17 11.878 4.910 -2.712 1.00 0.00 C ATOM 287 OH TYR A 17 13.111 5.210 -3.257 1.00 0.00 O ATOM 0 HA TYR A 17 8.126 5.004 0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.716 2.999 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.303 4.702 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.207 2.359 -1.208 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.836 6.312 -2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.420 2.893 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.042 6.855 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 17 12.989 5.601 -4.147 1.00 0.00 H new ATOM 297 N ARG A 18 5.754 3.997 1.158 1.00 0.00 N ATOM 298 CA ARG A 18 4.513 3.315 1.590 1.00 0.00 C ATOM 299 C ARG A 18 3.646 3.071 0.373 1.00 0.00 C ATOM 300 O ARG A 18 3.672 3.825 -0.576 1.00 0.00 O ATOM 301 CB ARG A 18 3.788 4.269 2.536 1.00 0.00 C ATOM 302 CG ARG A 18 3.683 3.635 3.928 1.00 0.00 C ATOM 303 CD ARG A 18 2.439 4.177 4.637 1.00 0.00 C ATOM 304 NE ARG A 18 2.855 4.373 6.058 1.00 0.00 N ATOM 305 CZ ARG A 18 3.006 3.348 6.863 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.799 2.125 6.444 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.366 3.552 8.101 1.00 0.00 N ATOM 0 H ARG A 18 5.678 5.003 1.008 1.00 0.00 H new ATOM 0 HA ARG A 18 4.728 2.365 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.326 5.215 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.793 4.492 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.624 2.550 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.576 3.860 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.108 5.115 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.607 3.477 4.563 1.00 0.00 H new ATOM 0 HE ARG A 18 3.024 5.316 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.516 1.958 5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.921 1.339 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.527 4.502 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.486 2.761 8.734 1.00 0.00 H new ATOM 321 N ILE A 19 2.823 2.080 0.421 1.00 0.00 N ATOM 322 CA ILE A 19 1.900 1.848 -0.703 1.00 0.00 C ATOM 323 C ILE A 19 0.635 2.505 -0.197 1.00 0.00 C ATOM 324 O ILE A 19 -0.282 1.879 0.294 1.00 0.00 O ATOM 325 CB ILE A 19 1.753 0.329 -0.881 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.987 -0.427 -0.363 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.620 0.003 -2.362 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.223 0.049 -1.126 1.00 0.00 C ATOM 0 H ILE A 19 2.749 1.417 1.193 1.00 0.00 H new ATOM 0 HA ILE A 19 2.202 2.240 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 19 0.872 0.022 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.114 -0.252 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.853 -1.501 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.516 -1.074 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.740 0.503 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.509 0.347 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.102 -0.484 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.092 -0.149 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.357 1.119 -0.970 1.00 0.00 H new ATOM 340 N VAL A 20 0.679 3.808 -0.199 1.00 0.00 N ATOM 341 CA VAL A 20 -0.400 4.616 0.399 1.00 0.00 C ATOM 342 C VAL A 20 -1.400 5.109 -0.651 1.00 0.00 C ATOM 343 O VAL A 20 -1.151 5.072 -1.840 1.00 0.00 O ATOM 344 CB VAL A 20 0.403 5.750 1.093 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.345 7.074 0.326 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.126 5.959 2.505 1.00 0.00 C ATOM 0 H VAL A 20 1.441 4.353 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.042 4.073 1.093 1.00 0.00 H new ATOM 0 HB VAL A 20 1.446 5.436 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.924 7.829 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.761 6.935 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.691 7.402 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.438 6.755 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.179 6.235 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.016 5.036 3.075 1.00 0.00 H new ATOM 356 N VAL A 21 -2.557 5.510 -0.201 1.00 0.00 N ATOM 357 CA VAL A 21 -3.628 5.944 -1.137 1.00 0.00 C ATOM 358 C VAL A 21 -3.835 7.457 -1.086 1.00 0.00 C ATOM 359 O VAL A 21 -4.278 8.002 -0.097 1.00 0.00 O ATOM 360 CB VAL A 21 -4.910 5.228 -0.662 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.667 4.714 -1.875 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.595 4.038 0.245 1.00 0.00 C ATOM 0 H VAL A 21 -2.807 5.555 0.787 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.367 5.696 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.503 5.947 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.575 4.206 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.931 5.551 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.039 4.015 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.525 3.562 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.983 3.318 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.052 4.384 1.124 1.00 0.00 H new ATOM 372 N THR A 22 -3.541 8.133 -2.160 1.00 0.00 N ATOM 373 CA THR A 22 -3.742 9.612 -2.190 1.00 0.00 C ATOM 374 C THR A 22 -4.300 10.027 -3.554 1.00 0.00 C ATOM 375 O THR A 22 -4.634 9.196 -4.377 1.00 0.00 O ATOM 376 CB THR A 22 -2.356 10.232 -1.962 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.401 11.612 -2.293 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.310 9.538 -2.837 1.00 0.00 C ATOM 0 H THR A 22 -3.170 7.728 -3.019 1.00 0.00 H new ATOM 0 HA THR A 22 -4.450 9.944 -1.430 1.00 0.00 H new ATOM 0 HB THR A 22 -2.081 10.106 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.518 12.012 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.333 9.989 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.270 8.478 -2.585 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.581 9.651 -3.887 1.00 0.00 H new ATOM 543 N TYR A 32 -2.338 11.594 1.895 1.00 0.00 N ATOM 544 CA TYR A 32 -3.139 10.430 1.407 1.00 0.00 C ATOM 545 C TYR A 32 -4.394 10.247 2.260 1.00 0.00 C ATOM 546 O TYR A 32 -4.620 10.957 3.220 1.00 0.00 O ATOM 547 CB TYR A 32 -2.224 9.200 1.538 1.00 0.00 C ATOM 548 CG TYR A 32 -1.512 9.214 2.874 1.00 0.00 C ATOM 549 CD1 TYR A 32 -0.305 9.908 3.017 1.00 0.00 C ATOM 550 CD2 TYR A 32 -2.063 8.534 3.967 1.00 0.00 C ATOM 551 CE1 TYR A 32 0.351 9.925 4.254 1.00 0.00 C ATOM 552 CE2 TYR A 32 -1.407 8.550 5.205 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.198 9.246 5.347 1.00 0.00 C ATOM 554 OH TYR A 32 0.453 9.266 6.566 1.00 0.00 O ATOM 0 HA TYR A 32 -3.467 10.579 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.813 8.288 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.493 9.194 0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.121 10.431 2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.994 7.997 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.281 10.463 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.832 8.027 6.049 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.159 8.962 7.269 1.00 0.00 H new ATOM 564 N ILE A 33 -5.210 9.291 1.912 1.00 0.00 N ATOM 565 CA ILE A 33 -6.454 9.042 2.690 1.00 0.00 C ATOM 566 C ILE A 33 -6.166 8.066 3.834 1.00 0.00 C ATOM 567 O ILE A 33 -6.771 8.127 4.886 1.00 0.00 O ATOM 568 CB ILE A 33 -7.416 8.415 1.681 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.684 9.405 0.545 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.732 8.070 2.374 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.915 8.633 -0.757 1.00 0.00 C ATOM 0 H ILE A 33 -5.067 8.668 1.117 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.860 9.948 3.139 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.970 7.507 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.556 10.016 0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.839 10.085 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.417 7.623 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.543 7.363 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.177 8.977 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.106 9.336 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.030 8.041 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.773 7.972 -0.640 1.00 0.00 H new ATOM 583 N GLU A 34 -5.244 7.165 3.629 1.00 0.00 N ATOM 584 CA GLU A 34 -4.906 6.176 4.692 1.00 0.00 C ATOM 585 C GLU A 34 -3.724 5.311 4.242 1.00 0.00 C ATOM 586 O GLU A 34 -3.458 5.173 3.064 1.00 0.00 O ATOM 587 CB GLU A 34 -6.166 5.324 4.852 1.00 0.00 C ATOM 588 CG GLU A 34 -6.277 4.840 6.301 1.00 0.00 C ATOM 589 CD GLU A 34 -7.452 5.541 6.985 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.433 5.807 6.310 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.348 5.801 8.172 1.00 0.00 O ATOM 0 H GLU A 34 -4.708 7.071 2.766 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.616 6.652 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.048 5.906 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.129 4.471 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.421 3.760 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.352 5.050 6.838 1.00 0.00 H new ATOM 598 N LYS A 35 -3.011 4.729 5.168 1.00 0.00 N ATOM 599 CA LYS A 35 -1.846 3.876 4.784 1.00 0.00 C ATOM 600 C LYS A 35 -2.271 2.409 4.681 1.00 0.00 C ATOM 601 O LYS A 35 -2.558 1.766 5.671 1.00 0.00 O ATOM 602 CB LYS A 35 -0.831 4.054 5.913 1.00 0.00 C ATOM 603 CG LYS A 35 -0.346 5.502 5.946 1.00 0.00 C ATOM 604 CD LYS A 35 0.355 5.772 7.278 1.00 0.00 C ATOM 605 CE LYS A 35 -0.669 6.259 8.306 1.00 0.00 C ATOM 606 NZ LYS A 35 0.132 6.597 9.516 1.00 0.00 N ATOM 0 H LYS A 35 -3.183 4.806 6.171 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.435 4.159 3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.285 3.791 6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.013 3.381 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.338 5.687 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.188 6.182 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.841 4.864 7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.136 6.521 7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.215 7.128 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.407 5.487 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.501 6.939 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.635 5.749 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.822 7.339 9.280 1.00 0.00 H new ATOM 620 N ILE A 36 -2.313 1.873 3.490 1.00 0.00 N ATOM 621 CA ILE A 36 -2.719 0.442 3.336 1.00 0.00 C ATOM 622 C ILE A 36 -1.502 -0.450 3.166 1.00 0.00 C ATOM 623 O ILE A 36 -1.481 -1.579 3.615 1.00 0.00 O ATOM 624 CB ILE A 36 -3.584 0.398 2.079 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.752 0.838 0.864 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.779 1.331 2.256 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.615 0.800 -0.390 1.00 0.00 C ATOM 0 H ILE A 36 -2.086 2.358 2.622 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.254 0.082 4.215 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.941 -0.619 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.366 1.845 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.890 0.181 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.399 1.302 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.368 1.009 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.425 2.349 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.022 1.113 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.979 -0.215 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.462 1.475 -0.269 1.00 0.00 H new ATOM 639 N GLY A 37 -0.500 0.029 2.498 1.00 0.00 N ATOM 640 CA GLY A 37 0.690 -0.819 2.280 1.00 0.00 C ATOM 641 C GLY A 37 1.971 -0.135 2.741 1.00 0.00 C ATOM 642 O GLY A 37 2.023 1.059 2.960 1.00 0.00 O ATOM 0 H GLY A 37 -0.454 0.965 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.568 -1.760 2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.771 -1.065 1.221 1.00 0.00 H new ATOM 646 N TYR A 38 3.020 -0.905 2.843 1.00 0.00 N ATOM 647 CA TYR A 38 4.347 -0.358 3.236 1.00 0.00 C ATOM 648 C TYR A 38 5.431 -1.057 2.409 1.00 0.00 C ATOM 649 O TYR A 38 5.398 -2.259 2.236 1.00 0.00 O ATOM 650 CB TYR A 38 4.500 -0.693 4.718 1.00 0.00 C ATOM 651 CG TYR A 38 5.806 -0.133 5.228 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.900 1.221 5.570 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.921 -0.967 5.359 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.112 1.740 6.044 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.132 -0.449 5.832 1.00 0.00 C ATOM 656 CZ TYR A 38 8.227 0.905 6.175 1.00 0.00 C ATOM 657 OH TYR A 38 9.422 1.416 6.641 1.00 0.00 O ATOM 0 H TYR A 38 3.011 -1.910 2.667 1.00 0.00 H new ATOM 0 HA TYR A 38 4.433 0.715 3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.667 -0.276 5.284 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.474 -1.773 4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.039 1.865 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.847 -2.012 5.095 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.186 2.785 6.308 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.993 -1.093 5.932 1.00 0.00 H new ATOM 0 HH TYR A 38 10.093 0.702 6.672 1.00 0.00 H new ATOM 667 N TYR A 39 6.401 -0.338 1.907 1.00 0.00 N ATOM 668 CA TYR A 39 7.472 -1.013 1.116 1.00 0.00 C ATOM 669 C TYR A 39 8.843 -0.628 1.687 1.00 0.00 C ATOM 670 O TYR A 39 9.119 0.537 1.901 1.00 0.00 O ATOM 671 CB TYR A 39 7.349 -0.511 -0.324 1.00 0.00 C ATOM 672 CG TYR A 39 8.449 -1.139 -1.158 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.766 -0.672 -1.053 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.153 -2.202 -2.022 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.783 -1.265 -1.811 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.174 -2.795 -2.779 1.00 0.00 C ATOM 677 CZ TYR A 39 10.487 -2.326 -2.672 1.00 0.00 C ATOM 678 OH TYR A 39 11.492 -2.910 -3.415 1.00 0.00 O ATOM 0 H TYR A 39 6.498 0.672 2.008 1.00 0.00 H new ATOM 0 HA TYR A 39 7.371 -2.098 1.157 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.372 -0.770 -0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.428 0.576 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.997 0.146 -0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.139 -2.564 -2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.797 -0.902 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.946 -3.614 -3.445 1.00 0.00 H new ATOM 0 HH TYR A 39 11.118 -3.633 -3.960 1.00 0.00 H new ATOM 688 N ASP A 40 9.707 -1.575 1.935 1.00 0.00 N ATOM 689 CA ASP A 40 11.048 -1.214 2.490 1.00 0.00 C ATOM 690 C ASP A 40 12.161 -2.072 1.865 1.00 0.00 C ATOM 691 O ASP A 40 12.286 -3.239 2.181 1.00 0.00 O ATOM 692 CB ASP A 40 10.938 -1.497 3.988 1.00 0.00 C ATOM 693 CG ASP A 40 12.286 -1.233 4.660 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.896 -0.223 4.345 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.687 -2.044 5.479 1.00 0.00 O ATOM 0 H ASP A 40 9.548 -2.571 1.781 1.00 0.00 H new ATOM 0 HA ASP A 40 11.306 -0.177 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.169 -0.865 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.635 -2.531 4.152 1.00 0.00 H new ATOM 838 N LEU A 49 7.989 -6.629 1.891 1.00 0.00 N ATOM 839 CA LEU A 49 6.681 -5.972 1.595 1.00 0.00 C ATOM 840 C LEU A 49 5.672 -6.262 2.707 1.00 0.00 C ATOM 841 O LEU A 49 5.377 -7.400 3.015 1.00 0.00 O ATOM 842 CB LEU A 49 6.210 -6.598 0.282 1.00 0.00 C ATOM 843 CG LEU A 49 5.147 -5.708 -0.379 1.00 0.00 C ATOM 844 CD1 LEU A 49 3.882 -5.693 0.481 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.675 -4.277 -0.535 1.00 0.00 C ATOM 0 HA LEU A 49 6.777 -4.888 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.057 -6.727 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.798 -7.590 0.470 1.00 0.00 H new ATOM 0 HG LEU A 49 4.915 -6.111 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.129 -5.061 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.495 -6.708 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.119 -5.300 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.912 -3.657 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.920 -3.870 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.570 -4.285 -1.158 1.00 0.00 H new ATOM 857 N LYS A 50 5.134 -5.235 3.298 1.00 0.00 N ATOM 858 CA LYS A 50 4.128 -5.431 4.379 1.00 0.00 C ATOM 859 C LYS A 50 2.861 -4.653 4.030 1.00 0.00 C ATOM 860 O LYS A 50 2.777 -3.461 4.248 1.00 0.00 O ATOM 861 CB LYS A 50 4.784 -4.859 5.636 1.00 0.00 C ATOM 862 CG LYS A 50 3.975 -5.266 6.868 1.00 0.00 C ATOM 863 CD LYS A 50 4.543 -4.570 8.105 1.00 0.00 C ATOM 864 CE LYS A 50 3.397 -4.160 9.031 1.00 0.00 C ATOM 865 NZ LYS A 50 3.033 -2.782 8.603 1.00 0.00 N ATOM 0 H LYS A 50 5.348 -4.262 3.079 1.00 0.00 H new ATOM 0 HA LYS A 50 3.845 -6.475 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.807 -5.225 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.839 -3.773 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.928 -4.995 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.010 -6.348 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.227 -5.238 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.118 -3.692 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.550 -4.840 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.707 -4.180 10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.252 -2.430 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.857 -2.156 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.736 -2.795 7.606 1.00 0.00 H new ATOM 879 N VAL A 51 1.878 -5.306 3.471 1.00 0.00 N ATOM 880 CA VAL A 51 0.637 -4.574 3.096 1.00 0.00 C ATOM 881 C VAL A 51 -0.596 -5.202 3.740 1.00 0.00 C ATOM 882 O VAL A 51 -0.728 -6.407 3.827 1.00 0.00 O ATOM 883 CB VAL A 51 0.566 -4.675 1.550 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.877 -4.876 1.054 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.085 -3.385 0.939 1.00 0.00 C ATOM 0 H VAL A 51 1.881 -6.304 3.260 1.00 0.00 H new ATOM 0 HA VAL A 51 0.658 -3.540 3.441 1.00 0.00 H new ATOM 0 HB VAL A 51 1.168 -5.533 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.882 -4.942 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.282 -5.796 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.491 -4.032 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.037 -3.452 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.473 -2.549 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.118 -3.226 1.247 1.00 0.00 H new ATOM 895 N ASP A 52 -1.531 -4.383 4.112 1.00 0.00 N ATOM 896 CA ASP A 52 -2.796 -4.912 4.658 1.00 0.00 C ATOM 897 C ASP A 52 -3.702 -5.153 3.456 1.00 0.00 C ATOM 898 O ASP A 52 -4.645 -4.421 3.228 1.00 0.00 O ATOM 899 CB ASP A 52 -3.356 -3.806 5.556 1.00 0.00 C ATOM 900 CG ASP A 52 -4.167 -4.433 6.693 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.876 -5.563 7.049 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.065 -3.772 7.188 1.00 0.00 O ATOM 0 H ASP A 52 -1.471 -3.366 4.060 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.693 -5.834 5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.542 -3.207 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.986 -3.134 4.973 1.00 0.00 H new ATOM 907 N VAL A 53 -3.373 -6.149 2.658 1.00 0.00 N ATOM 908 CA VAL A 53 -4.156 -6.456 1.411 1.00 0.00 C ATOM 909 C VAL A 53 -5.657 -6.189 1.609 1.00 0.00 C ATOM 910 O VAL A 53 -6.342 -5.804 0.684 1.00 0.00 O ATOM 911 CB VAL A 53 -3.850 -7.938 1.064 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.738 -8.793 2.330 1.00 0.00 C ATOM 913 CG2 VAL A 53 -4.948 -8.518 0.162 1.00 0.00 C ATOM 0 H VAL A 53 -2.582 -6.772 2.822 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.865 -5.807 0.585 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.895 -7.959 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.523 -9.825 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.933 -8.410 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.678 -8.753 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.716 -9.557 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.907 -8.467 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.001 -7.943 -0.762 1.00 0.00 H new ATOM 923 N GLU A 54 -6.166 -6.347 2.799 1.00 0.00 N ATOM 924 CA GLU A 54 -7.606 -6.051 3.013 1.00 0.00 C ATOM 925 C GLU A 54 -7.858 -4.573 2.720 1.00 0.00 C ATOM 926 O GLU A 54 -8.689 -4.221 1.906 1.00 0.00 O ATOM 927 CB GLU A 54 -7.879 -6.369 4.484 1.00 0.00 C ATOM 928 CG GLU A 54 -8.478 -7.771 4.607 1.00 0.00 C ATOM 929 CD GLU A 54 -8.802 -8.058 6.074 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.115 -7.521 6.928 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.731 -8.808 6.319 1.00 0.00 O ATOM 0 H GLU A 54 -5.653 -6.664 3.622 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.257 -6.634 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.954 -6.307 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.564 -5.632 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.382 -7.847 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.776 -8.513 4.226 1.00 0.00 H new ATOM 938 N ARG A 55 -7.131 -3.705 3.365 1.00 0.00 N ATOM 939 CA ARG A 55 -7.308 -2.256 3.111 1.00 0.00 C ATOM 940 C ARG A 55 -6.690 -1.904 1.758 1.00 0.00 C ATOM 941 O ARG A 55 -7.183 -1.067 1.038 1.00 0.00 O ATOM 942 CB ARG A 55 -6.567 -1.559 4.251 1.00 0.00 C ATOM 943 CG ARG A 55 -7.537 -1.296 5.407 1.00 0.00 C ATOM 944 CD ARG A 55 -7.478 0.184 5.789 1.00 0.00 C ATOM 945 NE ARG A 55 -6.039 0.442 6.088 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.547 0.244 7.289 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.288 -0.239 8.255 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.291 0.515 7.520 1.00 0.00 N ATOM 0 H ARG A 55 -6.421 -3.941 4.058 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.355 -1.954 3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.738 -2.179 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.140 -0.620 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.551 -1.568 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.275 -1.916 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.833 0.817 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.106 0.395 6.655 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.426 0.779 5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.266 -0.469 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.887 -0.385 9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.701 0.877 6.771 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.899 0.365 8.450 1.00 0.00 H new ATOM 962 N ALA A 56 -5.629 -2.565 1.385 1.00 0.00 N ATOM 963 CA ALA A 56 -5.020 -2.285 0.064 1.00 0.00 C ATOM 964 C ALA A 56 -5.997 -2.771 -1.013 1.00 0.00 C ATOM 965 O ALA A 56 -6.016 -2.274 -2.125 1.00 0.00 O ATOM 966 CB ALA A 56 -3.697 -3.063 0.057 1.00 0.00 C ATOM 0 H ALA A 56 -5.162 -3.283 1.939 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.826 -1.230 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.187 -2.904 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.064 -2.712 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.899 -4.126 0.187 1.00 0.00 H new ATOM 972 N ARG A 57 -6.842 -3.720 -0.673 1.00 0.00 N ATOM 973 CA ARG A 57 -7.840 -4.210 -1.655 1.00 0.00 C ATOM 974 C ARG A 57 -9.073 -3.296 -1.642 1.00 0.00 C ATOM 975 O ARG A 57 -9.804 -3.214 -2.606 1.00 0.00 O ATOM 976 CB ARG A 57 -8.207 -5.623 -1.195 1.00 0.00 C ATOM 977 CG ARG A 57 -9.362 -6.161 -2.047 1.00 0.00 C ATOM 978 CD ARG A 57 -10.541 -6.521 -1.142 1.00 0.00 C ATOM 979 NE ARG A 57 -11.460 -5.349 -1.224 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.605 -5.345 -0.585 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.977 -6.370 0.141 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.386 -4.303 -0.673 1.00 0.00 N ATOM 0 H ARG A 57 -6.876 -4.169 0.242 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.452 -4.213 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.342 -6.280 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.493 -5.610 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.667 -5.413 -2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.037 -7.039 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.033 -7.433 -1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.213 -6.695 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.194 -4.540 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.373 -7.188 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.871 -6.350 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.104 -3.500 -1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.278 -4.291 -0.179 1.00 0.00 H new ATOM 996 N TYR A 58 -9.286 -2.593 -0.559 1.00 0.00 N ATOM 997 CA TYR A 58 -10.445 -1.661 -0.467 1.00 0.00 C ATOM 998 C TYR A 58 -10.276 -0.609 -1.540 1.00 0.00 C ATOM 999 O TYR A 58 -11.151 -0.322 -2.335 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.295 -1.040 0.935 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.889 0.360 1.016 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.084 0.659 0.355 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.236 1.356 1.764 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.632 1.945 0.439 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.787 2.640 1.848 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.984 2.935 1.186 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.526 4.201 1.271 1.00 0.00 O ATOM 0 H TYR A 58 -8.698 -2.627 0.274 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.420 -2.129 -0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.783 -1.682 1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.239 -1.000 1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.586 -0.104 -0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.311 1.130 2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.555 2.173 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.287 3.404 2.425 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.848 4.864 1.024 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.130 -0.036 -1.530 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.801 1.024 -2.493 1.00 0.00 C ATOM 1019 C TRP A 59 -8.907 0.490 -3.901 1.00 0.00 C ATOM 1020 O TRP A 59 -9.638 1.008 -4.720 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.391 1.418 -2.107 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.534 2.153 -0.830 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.082 1.763 0.380 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.263 3.376 -0.625 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.450 2.721 1.315 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.191 3.733 0.735 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.956 4.207 -1.505 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.803 4.892 1.211 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.576 5.369 -1.037 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.500 5.714 0.318 1.00 0.00 C ATOM 0 H TRP A 59 -8.382 -0.263 -0.875 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.472 1.882 -2.469 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.755 0.541 -1.988 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.932 2.043 -2.873 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.528 0.859 0.586 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.205 2.683 2.304 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.014 3.951 -2.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.740 5.153 2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.116 6.004 -1.724 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.979 6.614 0.674 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.234 -0.580 -4.177 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.358 -1.179 -5.529 1.00 0.00 C ATOM 1043 C LEU A 60 -9.845 -1.449 -5.810 1.00 0.00 C ATOM 1044 O LEU A 60 -10.260 -1.579 -6.944 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.556 -2.478 -5.470 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.089 -2.178 -5.780 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.206 -3.282 -5.203 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.893 -2.109 -7.296 1.00 0.00 C ATOM 0 H LEU A 60 -7.608 -1.065 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.986 -0.534 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.646 -2.930 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.952 -3.197 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.813 -1.223 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.161 -3.066 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.344 -3.331 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.481 -4.238 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.848 -1.895 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.171 -3.064 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.521 -1.319 -7.708 1.00 0.00 H new ATOM 1060 N SER A 61 -10.656 -1.519 -4.771 1.00 0.00 N ATOM 1061 CA SER A 61 -12.111 -1.762 -4.973 1.00 0.00 C ATOM 1062 C SER A 61 -12.834 -0.456 -5.335 1.00 0.00 C ATOM 1063 O SER A 61 -13.908 -0.478 -5.904 1.00 0.00 O ATOM 1064 CB SER A 61 -12.629 -2.299 -3.639 1.00 0.00 C ATOM 1065 OG SER A 61 -13.726 -3.170 -3.878 1.00 0.00 O ATOM 0 H SER A 61 -10.365 -1.417 -3.799 1.00 0.00 H new ATOM 0 HA SER A 61 -12.288 -2.462 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.835 -2.831 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.938 -1.474 -2.997 1.00 0.00 H new ATOM 0 HG SER A 61 -14.060 -3.517 -3.025 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.266 0.682 -5.016 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.945 1.958 -5.356 1.00 0.00 C ATOM 1073 C VAL A 62 -12.349 2.536 -6.638 1.00 0.00 C ATOM 1074 O VAL A 62 -12.264 3.734 -6.819 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.701 2.904 -4.167 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.093 2.223 -2.855 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.223 3.311 -4.097 1.00 0.00 C ATOM 0 H VAL A 62 -11.369 0.776 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.012 1.816 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.314 3.793 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.915 2.905 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.149 1.956 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.495 1.322 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.070 3.980 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.606 2.421 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.942 3.822 -5.018 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.939 1.681 -7.523 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.344 2.153 -8.805 1.00 0.00 C ATOM 1089 C GLY A 63 -9.975 2.777 -8.530 1.00 0.00 C ATOM 1090 O GLY A 63 -9.525 3.646 -9.252 1.00 0.00 O ATOM 0 H GLY A 63 -11.989 0.668 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.243 1.320 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.001 2.884 -9.276 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.306 2.344 -7.495 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.970 2.918 -7.185 1.00 0.00 C ATOM 1096 C ALA A 64 -6.934 2.409 -8.187 1.00 0.00 C ATOM 1097 O ALA A 64 -6.736 1.221 -8.336 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.640 2.430 -5.775 1.00 0.00 C ATOM 0 H ALA A 64 -9.628 1.619 -6.854 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.965 4.006 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.665 2.814 -5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.400 2.787 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.620 1.340 -5.763 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.273 3.298 -8.877 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.252 2.860 -9.870 1.00 0.00 C ATOM 1106 C GLN A 65 -3.887 2.686 -9.186 1.00 0.00 C ATOM 1107 O GLN A 65 -3.291 3.653 -8.752 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.195 3.990 -10.900 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.288 3.402 -12.311 1.00 0.00 C ATOM 1110 CD GLN A 65 -3.958 3.605 -13.040 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -2.905 3.354 -12.488 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.960 4.053 -14.266 1.00 0.00 N ATOM 0 H GLN A 65 -6.396 4.307 -8.796 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.502 1.902 -10.327 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.013 4.691 -10.732 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.267 4.551 -10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.527 2.340 -12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.095 3.883 -12.864 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.843 4.264 -14.730 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.078 4.192 -14.760 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.430 1.459 -9.109 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.124 1.184 -8.472 1.00 0.00 C ATOM 1123 C PRO A 66 -0.990 1.441 -9.467 1.00 0.00 C ATOM 1124 O PRO A 66 -0.990 0.918 -10.563 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.200 -0.297 -8.129 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.179 -0.885 -9.100 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.073 0.228 -9.591 1.00 0.00 C ATOM 0 HA PRO A 66 -1.929 1.813 -7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.223 -0.772 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.530 -0.445 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.655 -1.350 -9.935 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.770 -1.665 -8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.153 0.222 -10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.084 0.128 -9.196 1.00 0.00 H new ATOM 1135 N THR A 67 -0.021 2.235 -9.099 1.00 0.00 N ATOM 1136 CA THR A 67 1.109 2.506 -10.039 1.00 0.00 C ATOM 1137 C THR A 67 1.701 1.182 -10.534 1.00 0.00 C ATOM 1138 O THR A 67 1.410 0.127 -10.006 1.00 0.00 O ATOM 1139 CB THR A 67 2.147 3.295 -9.229 1.00 0.00 C ATOM 1140 OG1 THR A 67 1.955 3.064 -7.839 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.999 4.788 -9.523 1.00 0.00 C ATOM 0 H THR A 67 0.039 2.705 -8.196 1.00 0.00 H new ATOM 0 HA THR A 67 0.786 3.066 -10.917 1.00 0.00 H new ATOM 0 HB THR A 67 3.146 2.965 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.795 2.756 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.737 5.347 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.157 4.967 -10.587 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.997 5.116 -9.245 1.00 0.00 H new ATOM 1149 N ASP A 68 2.523 1.226 -11.546 1.00 0.00 N ATOM 1150 CA ASP A 68 3.122 -0.034 -12.074 1.00 0.00 C ATOM 1151 C ASP A 68 3.926 -0.750 -10.985 1.00 0.00 C ATOM 1152 O ASP A 68 4.233 -1.921 -11.097 1.00 0.00 O ATOM 1153 CB ASP A 68 4.043 0.415 -13.210 1.00 0.00 C ATOM 1154 CG ASP A 68 4.638 -0.813 -13.902 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.912 -1.776 -14.085 1.00 0.00 O ATOM 1156 OD2 ASP A 68 5.809 -0.768 -14.239 1.00 0.00 O ATOM 0 H ASP A 68 2.806 2.078 -12.030 1.00 0.00 H new ATOM 0 HA ASP A 68 2.361 -0.737 -12.412 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.485 1.016 -13.929 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.840 1.046 -12.818 1.00 0.00 H new ATOM 1161 N THR A 69 4.270 -0.059 -9.938 1.00 0.00 N ATOM 1162 CA THR A 69 5.056 -0.699 -8.845 1.00 0.00 C ATOM 1163 C THR A 69 4.135 -1.109 -7.699 1.00 0.00 C ATOM 1164 O THR A 69 4.175 -2.224 -7.225 1.00 0.00 O ATOM 1165 CB THR A 69 6.003 0.384 -8.364 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.365 1.229 -9.449 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.258 -0.245 -7.757 1.00 0.00 C ATOM 0 H THR A 69 4.041 0.924 -9.789 1.00 0.00 H new ATOM 0 HA THR A 69 5.574 -1.594 -9.188 1.00 0.00 H new ATOM 0 HB THR A 69 5.499 0.977 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.975 1.927 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.930 0.542 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.977 -0.875 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.762 -0.851 -8.510 1.00 0.00 H new ATOM 1175 N ALA A 70 3.300 -0.210 -7.251 1.00 0.00 N ATOM 1176 CA ALA A 70 2.378 -0.544 -6.138 1.00 0.00 C ATOM 1177 C ALA A 70 1.384 -1.584 -6.615 1.00 0.00 C ATOM 1178 O ALA A 70 0.829 -2.334 -5.836 1.00 0.00 O ATOM 1179 CB ALA A 70 1.670 0.765 -5.788 1.00 0.00 C ATOM 0 H ALA A 70 3.220 0.741 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 70 2.894 -0.954 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.971 0.593 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.408 1.508 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.126 1.129 -6.660 1.00 0.00 H new ATOM 1185 N ARG A 71 1.174 -1.658 -7.899 1.00 0.00 N ATOM 1186 CA ARG A 71 0.245 -2.668 -8.418 1.00 0.00 C ATOM 1187 C ARG A 71 0.919 -4.019 -8.274 1.00 0.00 C ATOM 1188 O ARG A 71 0.315 -4.993 -7.872 1.00 0.00 O ATOM 1189 CB ARG A 71 0.030 -2.318 -9.890 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.951 -3.313 -10.514 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.189 -4.283 -11.421 1.00 0.00 C ATOM 1192 NE ARG A 71 0.458 -3.417 -12.450 1.00 0.00 N ATOM 1193 CZ ARG A 71 1.210 -3.937 -13.392 1.00 0.00 C ATOM 1194 NH1 ARG A 71 1.422 -5.230 -13.450 1.00 0.00 N ATOM 1195 NH2 ARG A 71 1.758 -3.155 -14.281 1.00 0.00 N ATOM 0 H ARG A 71 1.610 -1.060 -8.601 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.710 -2.695 -7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.358 -1.303 -9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.980 -2.345 -10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.473 -3.864 -9.732 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.709 -2.781 -11.089 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.553 -4.850 -10.859 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.862 -5.007 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 71 0.314 -2.408 -12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.000 -5.848 -12.757 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.009 -5.618 -14.189 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.601 -2.148 -14.241 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.344 -3.551 -15.016 1.00 0.00 H new ATOM 1209 N ARG A 72 2.189 -4.071 -8.571 1.00 0.00 N ATOM 1210 CA ARG A 72 2.913 -5.351 -8.428 1.00 0.00 C ATOM 1211 C ARG A 72 3.002 -5.707 -6.949 1.00 0.00 C ATOM 1212 O ARG A 72 2.876 -6.852 -6.561 1.00 0.00 O ATOM 1213 CB ARG A 72 4.299 -5.101 -9.019 1.00 0.00 C ATOM 1214 CG ARG A 72 4.479 -5.968 -10.264 1.00 0.00 C ATOM 1215 CD ARG A 72 5.716 -5.504 -11.037 1.00 0.00 C ATOM 1216 NE ARG A 72 5.205 -5.150 -12.392 1.00 0.00 N ATOM 1217 CZ ARG A 72 4.752 -6.079 -13.203 1.00 0.00 C ATOM 1218 NH1 ARG A 72 4.751 -7.340 -12.850 1.00 0.00 N ATOM 1219 NH2 ARG A 72 4.298 -5.740 -14.378 1.00 0.00 N ATOM 0 H ARG A 72 2.747 -3.285 -8.904 1.00 0.00 H new ATOM 0 HA ARG A 72 2.418 -6.180 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.413 -4.048 -9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.069 -5.336 -8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.587 -7.014 -9.979 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.595 -5.900 -10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.186 -4.647 -10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.468 -6.291 -11.091 1.00 0.00 H new ATOM 0 HE ARG A 72 5.207 -4.175 -12.693 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.105 -7.613 -11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.396 -8.049 -13.492 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.297 -4.760 -14.661 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.944 -6.455 -15.014 1.00 0.00 H new ATOM 1233 N LEU A 73 3.205 -4.724 -6.117 1.00 0.00 N ATOM 1234 CA LEU A 73 3.285 -4.988 -4.667 1.00 0.00 C ATOM 1235 C LEU A 73 1.898 -5.307 -4.142 1.00 0.00 C ATOM 1236 O LEU A 73 1.738 -6.036 -3.184 1.00 0.00 O ATOM 1237 CB LEU A 73 3.826 -3.702 -4.047 1.00 0.00 C ATOM 1238 CG LEU A 73 5.166 -3.363 -4.693 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.535 -1.910 -4.388 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.245 -4.289 -4.138 1.00 0.00 C ATOM 0 H LEU A 73 3.319 -3.747 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 73 3.927 -5.835 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.119 -2.886 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.948 -3.825 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 73 5.090 -3.495 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.493 -1.673 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.766 -1.248 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.610 -1.772 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.203 -4.048 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.318 -4.157 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.986 -5.324 -4.360 1.00 0.00 H new ATOM 1252 N LEU A 74 0.887 -4.801 -4.787 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.481 -5.123 -4.345 1.00 0.00 C ATOM 1254 C LEU A 74 -0.744 -6.573 -4.731 1.00 0.00 C ATOM 1255 O LEU A 74 -1.455 -7.292 -4.063 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.392 -4.160 -5.099 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.502 -2.856 -4.308 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.173 -1.788 -5.168 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.339 -3.096 -3.050 1.00 0.00 C ATOM 0 H LEU A 74 0.955 -4.183 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.643 -5.019 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.992 -3.964 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.379 -4.603 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.505 -2.518 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.250 -0.860 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.578 -1.617 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.170 -2.123 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.419 -2.168 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.335 -3.435 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.860 -3.857 -2.434 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.117 -7.017 -5.786 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.270 -8.428 -6.203 1.00 0.00 C ATOM 1273 C ARG A 75 0.637 -9.269 -5.314 1.00 0.00 C ATOM 1274 O ARG A 75 0.341 -10.400 -4.982 1.00 0.00 O ATOM 1275 CB ARG A 75 0.193 -8.473 -7.659 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.714 -9.413 -8.455 1.00 0.00 C ATOM 1277 CD ARG A 75 0.099 -10.614 -8.945 1.00 0.00 C ATOM 1278 NE ARG A 75 0.920 -10.090 -10.075 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.702 -10.886 -10.766 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.782 -12.163 -10.480 1.00 0.00 N ATOM 1281 NH2 ARG A 75 2.409 -10.402 -11.750 1.00 0.00 N ATOM 0 H ARG A 75 0.497 -6.455 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.288 -8.806 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.166 -7.473 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.226 -8.816 -7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.542 -9.751 -7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.149 -8.884 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.730 -11.014 -8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.552 -11.424 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 75 0.873 -9.099 -10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.232 -12.549 -9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.394 -12.770 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.352 -9.410 -11.979 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.018 -11.016 -12.290 1.00 0.00 H new ATOM 1295 N GLN A 76 1.737 -8.696 -4.906 1.00 0.00 N ATOM 1296 CA GLN A 76 2.674 -9.412 -4.016 1.00 0.00 C ATOM 1297 C GLN A 76 2.137 -9.381 -2.596 1.00 0.00 C ATOM 1298 O GLN A 76 2.396 -10.253 -1.790 1.00 0.00 O ATOM 1299 CB GLN A 76 3.972 -8.627 -4.133 1.00 0.00 C ATOM 1300 CG GLN A 76 5.168 -9.562 -3.947 1.00 0.00 C ATOM 1301 CD GLN A 76 6.213 -9.263 -5.022 1.00 0.00 C ATOM 1302 OE1 GLN A 76 7.390 -9.161 -4.732 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.830 -9.115 -6.262 1.00 0.00 N ATOM 0 H GLN A 76 2.023 -7.750 -5.159 1.00 0.00 H new ATOM 0 HA GLN A 76 2.812 -10.461 -4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.027 -8.143 -5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.998 -7.837 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.600 -9.426 -2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.846 -10.601 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.843 -9.201 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.518 -8.914 -6.988 1.00 0.00 H new ATOM 1312 N ALA A 77 1.369 -8.381 -2.300 1.00 0.00 N ATOM 1313 CA ALA A 77 0.773 -8.265 -0.950 1.00 0.00 C ATOM 1314 C ALA A 77 -0.308 -9.338 -0.756 1.00 0.00 C ATOM 1315 O ALA A 77 -0.832 -9.514 0.325 1.00 0.00 O ATOM 1316 CB ALA A 77 0.148 -6.873 -0.919 1.00 0.00 C ATOM 0 H ALA A 77 1.125 -7.629 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 77 1.509 -8.405 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.318 -6.705 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.921 -6.123 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.607 -6.795 -1.702 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.649 -10.056 -1.797 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.693 -11.111 -1.665 1.00 0.00 C ATOM 1324 C GLY A 78 -3.067 -10.542 -2.042 1.00 0.00 C ATOM 1325 O GLY A 78 -4.089 -11.122 -1.734 1.00 0.00 O ATOM 0 H GLY A 78 -0.249 -9.955 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.451 -11.956 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.714 -11.487 -0.642 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.106 -9.416 -2.710 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.423 -8.836 -3.099 1.00 0.00 C ATOM 1331 C VAL A 79 -4.989 -9.594 -4.299 1.00 0.00 C ATOM 1332 O VAL A 79 -5.992 -10.271 -4.200 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.148 -7.382 -3.464 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.474 -6.657 -3.698 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.390 -6.695 -2.323 1.00 0.00 C ATOM 0 H VAL A 79 -2.289 -8.879 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.154 -8.909 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.545 -7.348 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.279 -5.617 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.014 -7.140 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.075 -6.696 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.196 -5.656 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.990 -6.731 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.444 -7.209 -2.153 1.00 0.00 H new