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 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= -0.166 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= 0.182 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 69 THR OG1 : rot -41:sc= 0.109! USER MOD Single : A 76 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.186 8.417 -6.937 1.00 0.00 N ATOM 21 CA VAL A 2 -7.610 7.456 -5.950 1.00 0.00 C ATOM 22 C VAL A 2 -6.504 6.621 -6.603 1.00 0.00 C ATOM 23 O VAL A 2 -6.744 5.864 -7.522 1.00 0.00 O ATOM 24 CB VAL A 2 -8.773 6.557 -5.524 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.767 7.368 -4.693 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.480 5.998 -6.761 1.00 0.00 C ATOM 0 HA VAL A 2 -7.164 7.970 -5.099 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.386 5.730 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.595 6.728 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.267 7.759 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.149 8.197 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.307 5.359 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.864 6.821 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.773 5.415 -7.352 1.00 0.00 H new ATOM 36 N LYS A 3 -5.294 6.755 -6.133 1.00 0.00 N ATOM 37 CA LYS A 3 -4.173 5.970 -6.725 1.00 0.00 C ATOM 38 C LYS A 3 -3.232 5.481 -5.621 1.00 0.00 C ATOM 39 O LYS A 3 -2.778 6.251 -4.798 1.00 0.00 O ATOM 40 CB LYS A 3 -3.445 6.955 -7.639 1.00 0.00 C ATOM 41 CG LYS A 3 -4.261 7.170 -8.914 1.00 0.00 C ATOM 42 CD LYS A 3 -3.504 8.116 -9.849 1.00 0.00 C ATOM 43 CE LYS A 3 -3.080 7.355 -11.110 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.105 8.246 -11.809 1.00 0.00 N ATOM 0 H LYS A 3 -5.033 7.374 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.524 5.089 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.299 7.905 -7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.455 6.572 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.439 6.216 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.237 7.588 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.136 8.963 -10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.627 8.520 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.624 6.398 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.939 7.140 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.776 7.784 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.567 9.147 -12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.293 8.428 -11.186 1.00 0.00 H new ATOM 58 N ILE A 4 -2.919 4.212 -5.601 1.00 0.00 N ATOM 59 CA ILE A 4 -1.997 3.705 -4.555 1.00 0.00 C ATOM 60 C ILE A 4 -0.589 3.565 -5.143 1.00 0.00 C ATOM 61 O ILE A 4 -0.403 3.030 -6.217 1.00 0.00 O ATOM 62 CB ILE A 4 -2.575 2.362 -4.102 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.853 2.618 -3.302 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.561 1.626 -3.221 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.557 1.290 -3.032 1.00 0.00 C ATOM 0 H ILE A 4 -3.261 3.513 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.911 4.379 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.797 1.748 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.613 3.113 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.513 3.287 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.980 0.671 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.647 1.450 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.333 2.232 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.468 1.471 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.810 0.813 -3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.896 0.637 -2.462 1.00 0.00 H new ATOM 77 N ARG A 5 0.405 4.064 -4.458 1.00 0.00 N ATOM 78 CA ARG A 5 1.791 3.983 -4.991 1.00 0.00 C ATOM 79 C ARG A 5 2.799 3.921 -3.844 1.00 0.00 C ATOM 80 O ARG A 5 2.443 3.710 -2.708 1.00 0.00 O ATOM 81 CB ARG A 5 1.975 5.270 -5.795 1.00 0.00 C ATOM 82 CG ARG A 5 1.759 6.475 -4.876 1.00 0.00 C ATOM 83 CD ARG A 5 2.284 7.741 -5.554 1.00 0.00 C ATOM 84 NE ARG A 5 3.769 7.620 -5.498 1.00 0.00 N ATOM 85 CZ ARG A 5 4.539 8.502 -6.091 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.025 9.515 -6.741 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.836 8.368 -6.030 1.00 0.00 N ATOM 0 H ARG A 5 0.315 4.524 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 5 1.949 3.092 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.975 5.302 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.268 5.299 -6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.699 6.586 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.274 6.318 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.932 7.813 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.941 8.637 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 5 4.192 6.842 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.012 9.627 -6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.637 10.192 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.244 7.582 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.441 9.049 -6.488 1.00 0.00 H new ATOM 101 N LEU A 6 4.057 4.107 -4.138 1.00 0.00 N ATOM 102 CA LEU A 6 5.092 4.052 -3.065 1.00 0.00 C ATOM 103 C LEU A 6 5.293 5.439 -2.447 1.00 0.00 C ATOM 104 O LEU A 6 5.446 6.424 -3.141 1.00 0.00 O ATOM 105 CB LEU A 6 6.370 3.597 -3.771 1.00 0.00 C ATOM 106 CG LEU A 6 6.228 2.141 -4.223 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.338 2.068 -5.465 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.609 1.578 -4.565 1.00 0.00 C ATOM 0 H LEU A 6 4.414 4.295 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 6 4.807 3.380 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.567 4.236 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.222 3.696 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 6 5.778 1.559 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.240 1.030 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.352 2.470 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.786 2.652 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.510 0.541 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.053 2.166 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.249 1.625 -3.684 1.00 0.00 H new ATOM 120 N ALA A 7 5.280 5.521 -1.145 1.00 0.00 N ATOM 121 CA ALA A 7 5.453 6.840 -0.472 1.00 0.00 C ATOM 122 C ALA A 7 6.863 6.992 0.090 1.00 0.00 C ATOM 123 O ALA A 7 7.197 6.414 1.097 1.00 0.00 O ATOM 124 CB ALA A 7 4.447 6.806 0.669 1.00 0.00 C ATOM 0 H ALA A 7 5.156 4.728 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 7 5.301 7.672 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.499 7.740 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.443 6.680 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.678 5.973 1.333 1.00 0.00 H new ATOM 130 N ARG A 8 7.690 7.772 -0.546 1.00 0.00 N ATOM 131 CA ARG A 8 9.076 7.952 -0.036 1.00 0.00 C ATOM 132 C ARG A 8 9.105 8.841 1.210 1.00 0.00 C ATOM 133 O ARG A 8 8.720 9.992 1.177 1.00 0.00 O ATOM 134 CB ARG A 8 9.840 8.609 -1.184 1.00 0.00 C ATOM 135 CG ARG A 8 11.321 8.713 -0.813 1.00 0.00 C ATOM 136 CD ARG A 8 11.740 10.184 -0.775 1.00 0.00 C ATOM 137 NE ARG A 8 12.937 10.263 -1.660 1.00 0.00 N ATOM 138 CZ ARG A 8 12.815 10.200 -2.965 1.00 0.00 C ATOM 139 NH1 ARG A 8 11.640 10.064 -3.527 1.00 0.00 N ATOM 140 NH2 ARG A 8 13.880 10.272 -3.714 1.00 0.00 N ATOM 0 H ARG A 8 7.467 8.292 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 8 9.517 7.001 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.722 8.024 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.434 9.600 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.496 8.250 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.927 8.171 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.940 10.832 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.977 10.501 0.240 1.00 0.00 H new ATOM 0 HE ARG A 8 13.863 10.367 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.802 10.005 -2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.563 10.017 -4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.799 10.376 -3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.794 10.224 -4.729 1.00 0.00 H new ATOM 276 N TYR A 17 9.521 2.943 1.040 1.00 0.00 N ATOM 277 CA TYR A 17 8.274 3.670 0.719 1.00 0.00 C ATOM 278 C TYR A 17 7.102 2.831 1.171 1.00 0.00 C ATOM 279 O TYR A 17 7.193 1.624 1.198 1.00 0.00 O ATOM 280 CB TYR A 17 8.206 3.775 -0.801 1.00 0.00 C ATOM 281 CG TYR A 17 9.504 4.241 -1.403 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.420 4.975 -0.650 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.776 3.944 -2.739 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.607 5.410 -1.229 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.959 4.378 -3.324 1.00 0.00 C ATOM 286 CZ TYR A 17 11.884 5.114 -2.572 1.00 0.00 C ATOM 287 OH TYR A 17 13.061 5.547 -3.149 1.00 0.00 O ATOM 0 HA TYR A 17 8.251 4.648 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.944 2.803 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.411 4.466 -1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.207 5.206 0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.065 3.375 -3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.317 5.976 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.166 4.148 -4.359 1.00 0.00 H new ATOM 0 HH TYR A 17 13.094 5.255 -4.084 1.00 0.00 H new ATOM 297 N ARG A 18 5.986 3.421 1.469 1.00 0.00 N ATOM 298 CA ARG A 18 4.834 2.567 1.833 1.00 0.00 C ATOM 299 C ARG A 18 3.896 2.542 0.637 1.00 0.00 C ATOM 300 O ARG A 18 4.009 3.353 -0.261 1.00 0.00 O ATOM 301 CB ARG A 18 4.203 3.150 3.120 1.00 0.00 C ATOM 302 CG ARG A 18 2.943 3.983 2.827 1.00 0.00 C ATOM 303 CD ARG A 18 2.297 4.395 4.151 1.00 0.00 C ATOM 304 NE ARG A 18 2.486 5.873 4.234 1.00 0.00 N ATOM 305 CZ ARG A 18 2.396 6.499 5.385 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.136 5.846 6.491 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.570 7.792 5.431 1.00 0.00 N ATOM 0 H ARG A 18 5.823 4.428 1.477 1.00 0.00 H new ATOM 0 HA ARG A 18 5.105 1.535 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.948 2.336 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.937 3.773 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.203 4.867 2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.239 3.403 2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.240 4.131 4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.769 3.890 4.994 1.00 0.00 H new ATOM 0 HE ARG A 18 2.688 6.403 3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.000 4.835 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.070 6.348 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.774 8.310 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.501 8.284 6.322 1.00 0.00 H new ATOM 321 N ILE A 19 2.968 1.647 0.619 1.00 0.00 N ATOM 322 CA ILE A 19 2.033 1.606 -0.512 1.00 0.00 C ATOM 323 C ILE A 19 0.804 2.335 -0.009 1.00 0.00 C ATOM 324 O ILE A 19 -0.114 1.761 0.537 1.00 0.00 O ATOM 325 CB ILE A 19 1.764 0.126 -0.844 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.816 -0.816 -0.217 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.830 -0.046 -2.359 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.614 -2.250 -0.721 1.00 0.00 C ATOM 0 H ILE A 19 2.817 0.942 1.340 1.00 0.00 H new ATOM 0 HA ILE A 19 2.394 2.073 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 19 0.786 -0.134 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.819 -0.472 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.735 -0.790 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.642 -1.089 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.076 0.585 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.819 0.243 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.362 -2.903 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.618 -2.596 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.718 -2.272 -1.806 1.00 0.00 H new ATOM 340 N VAL A 20 0.856 3.633 -0.113 1.00 0.00 N ATOM 341 CA VAL A 20 -0.214 4.489 0.433 1.00 0.00 C ATOM 342 C VAL A 20 -1.211 4.892 -0.659 1.00 0.00 C ATOM 343 O VAL A 20 -1.002 4.645 -1.829 1.00 0.00 O ATOM 344 CB VAL A 20 0.586 5.683 1.011 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.587 6.890 0.066 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.001 6.094 2.355 1.00 0.00 C ATOM 0 H VAL A 20 1.616 4.141 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.840 4.009 1.185 1.00 0.00 H new ATOM 0 HB VAL A 20 1.618 5.355 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.160 7.702 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.040 6.608 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.438 7.220 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.565 6.934 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.042 6.388 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.054 5.254 3.048 1.00 0.00 H new ATOM 356 N VAL A 21 -2.312 5.475 -0.270 1.00 0.00 N ATOM 357 CA VAL A 21 -3.353 5.857 -1.263 1.00 0.00 C ATOM 358 C VAL A 21 -3.481 7.378 -1.346 1.00 0.00 C ATOM 359 O VAL A 21 -4.050 8.009 -0.477 1.00 0.00 O ATOM 360 CB VAL A 21 -4.678 5.246 -0.755 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.496 4.767 -1.947 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.441 4.050 0.172 1.00 0.00 C ATOM 0 H VAL A 21 -2.535 5.704 0.699 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.097 5.494 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.203 6.020 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.433 4.335 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.710 5.610 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.932 4.013 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.400 3.652 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.894 3.276 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.861 4.370 1.037 1.00 0.00 H new ATOM 372 N THR A 22 -2.969 7.971 -2.386 1.00 0.00 N ATOM 373 CA THR A 22 -3.076 9.454 -2.524 1.00 0.00 C ATOM 374 C THR A 22 -3.596 9.818 -3.916 1.00 0.00 C ATOM 375 O THR A 22 -3.984 8.965 -4.689 1.00 0.00 O ATOM 376 CB THR A 22 -1.654 9.996 -2.321 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.608 11.356 -2.729 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.653 9.187 -3.150 1.00 0.00 C ATOM 0 H THR A 22 -2.482 7.497 -3.146 1.00 0.00 H new ATOM 0 HA THR A 22 -3.771 9.879 -1.800 1.00 0.00 H new ATOM 0 HB THR A 22 -1.391 9.913 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.702 11.706 -2.599 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.351 9.583 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.683 8.143 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.913 9.259 -4.206 1.00 0.00 H new ATOM 543 N TYR A 32 -1.699 11.582 1.408 1.00 0.00 N ATOM 544 CA TYR A 32 -2.582 10.478 0.922 1.00 0.00 C ATOM 545 C TYR A 32 -3.867 10.426 1.746 1.00 0.00 C ATOM 546 O TYR A 32 -4.033 11.147 2.710 1.00 0.00 O ATOM 547 CB TYR A 32 -1.784 9.184 1.126 1.00 0.00 C ATOM 548 CG TYR A 32 -1.246 9.135 2.537 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.064 8.697 3.583 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.069 9.535 2.795 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.566 8.660 4.890 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.567 9.497 4.103 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.251 9.061 5.150 1.00 0.00 C ATOM 554 OH TYR A 32 0.240 9.024 6.440 1.00 0.00 O ATOM 0 HA TYR A 32 -2.864 10.623 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.421 8.319 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.962 9.135 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.079 8.388 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.700 9.873 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.197 8.322 5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.583 9.804 4.303 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.203 8.306 6.938 1.00 0.00 H new ATOM 564 N ILE A 33 -4.771 9.566 1.377 1.00 0.00 N ATOM 565 CA ILE A 33 -6.042 9.446 2.138 1.00 0.00 C ATOM 566 C ILE A 33 -5.822 8.545 3.354 1.00 0.00 C ATOM 567 O ILE A 33 -6.259 8.838 4.449 1.00 0.00 O ATOM 568 CB ILE A 33 -7.021 8.803 1.161 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.176 9.700 -0.070 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.376 8.632 1.840 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.368 8.831 -1.313 1.00 0.00 C ATOM 0 H ILE A 33 -4.684 8.938 0.578 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.410 10.404 2.506 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.642 7.828 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.030 10.365 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.295 10.331 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.077 8.173 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.266 7.994 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.755 9.607 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.478 9.469 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.500 8.184 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.262 8.219 -1.195 1.00 0.00 H new ATOM 583 N GLU A 34 -5.133 7.453 3.165 1.00 0.00 N ATOM 584 CA GLU A 34 -4.861 6.526 4.298 1.00 0.00 C ATOM 585 C GLU A 34 -3.686 5.609 3.942 1.00 0.00 C ATOM 586 O GLU A 34 -3.335 5.463 2.790 1.00 0.00 O ATOM 587 CB GLU A 34 -6.148 5.717 4.471 1.00 0.00 C ATOM 588 CG GLU A 34 -6.711 5.940 5.877 1.00 0.00 C ATOM 589 CD GLU A 34 -6.893 4.591 6.574 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.914 3.875 6.697 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.009 4.297 6.970 1.00 0.00 O ATOM 0 H GLU A 34 -4.745 7.162 2.268 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.593 7.052 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.882 6.018 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.947 4.657 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.036 6.571 6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.666 6.463 5.819 1.00 0.00 H new ATOM 598 N LYS A 35 -3.073 4.993 4.914 1.00 0.00 N ATOM 599 CA LYS A 35 -1.924 4.091 4.612 1.00 0.00 C ATOM 600 C LYS A 35 -2.395 2.633 4.573 1.00 0.00 C ATOM 601 O LYS A 35 -2.858 2.094 5.559 1.00 0.00 O ATOM 602 CB LYS A 35 -0.929 4.318 5.753 1.00 0.00 C ATOM 603 CG LYS A 35 -1.543 3.861 7.080 1.00 0.00 C ATOM 604 CD LYS A 35 -1.278 4.913 8.157 1.00 0.00 C ATOM 605 CE LYS A 35 -1.946 4.484 9.466 1.00 0.00 C ATOM 606 NZ LYS A 35 -3.038 5.474 9.681 1.00 0.00 N ATOM 0 H LYS A 35 -3.316 5.074 5.901 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.474 4.300 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.009 3.767 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.663 5.373 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.616 3.709 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.116 2.904 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.205 5.033 8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.666 5.881 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.340 3.470 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.236 4.493 10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.544 5.247 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.632 6.429 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.702 5.438 8.881 1.00 0.00 H new ATOM 620 N ILE A 36 -2.292 1.989 3.440 1.00 0.00 N ATOM 621 CA ILE A 36 -2.753 0.568 3.356 1.00 0.00 C ATOM 622 C ILE A 36 -1.581 -0.396 3.336 1.00 0.00 C ATOM 623 O ILE A 36 -1.658 -1.488 3.864 1.00 0.00 O ATOM 624 CB ILE A 36 -3.529 0.471 2.045 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.602 0.788 0.864 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.680 1.468 2.068 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.366 0.641 -0.447 1.00 0.00 C ATOM 0 H ILE A 36 -1.913 2.379 2.577 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.360 0.302 4.221 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.919 -0.540 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.213 1.802 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.744 0.116 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.237 1.402 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.343 1.239 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.285 2.477 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.703 0.867 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.733 -0.381 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.209 1.332 -0.456 1.00 0.00 H new ATOM 639 N GLY A 37 -0.512 -0.029 2.705 1.00 0.00 N ATOM 640 CA GLY A 37 0.628 -0.964 2.628 1.00 0.00 C ATOM 641 C GLY A 37 1.935 -0.316 3.055 1.00 0.00 C ATOM 642 O GLY A 37 2.021 0.866 3.322 1.00 0.00 O ATOM 0 H GLY A 37 -0.379 0.870 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.430 -1.828 3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.724 -1.333 1.607 1.00 0.00 H new ATOM 646 N TYR A 38 2.965 -1.110 3.065 1.00 0.00 N ATOM 647 CA TYR A 38 4.328 -0.618 3.408 1.00 0.00 C ATOM 648 C TYR A 38 5.332 -1.305 2.478 1.00 0.00 C ATOM 649 O TYR A 38 5.150 -2.453 2.121 1.00 0.00 O ATOM 650 CB TYR A 38 4.566 -1.039 4.857 1.00 0.00 C ATOM 651 CG TYR A 38 5.797 -0.339 5.386 1.00 0.00 C ATOM 652 CD1 TYR A 38 7.073 -0.752 4.978 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.661 0.722 6.288 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.209 -0.102 5.474 1.00 0.00 C ATOM 655 CE2 TYR A 38 6.798 1.371 6.784 1.00 0.00 C ATOM 656 CZ TYR A 38 8.072 0.959 6.378 1.00 0.00 C ATOM 657 OH TYR A 38 9.194 1.597 6.867 1.00 0.00 O ATOM 0 H TYR A 38 2.919 -2.105 2.844 1.00 0.00 H new ATOM 0 HA TYR A 38 4.434 0.461 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.699 -0.786 5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.694 -2.120 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.179 -1.571 4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.678 1.041 6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.192 -0.419 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.692 2.190 7.480 1.00 0.00 H new ATOM 0 HH TYR A 38 8.923 2.311 7.482 1.00 0.00 H new ATOM 667 N TYR A 39 6.389 -0.644 2.082 1.00 0.00 N ATOM 668 CA TYR A 39 7.366 -1.327 1.185 1.00 0.00 C ATOM 669 C TYR A 39 8.802 -0.909 1.536 1.00 0.00 C ATOM 670 O TYR A 39 9.111 0.260 1.640 1.00 0.00 O ATOM 671 CB TYR A 39 7.019 -0.904 -0.249 1.00 0.00 C ATOM 672 CG TYR A 39 8.039 -1.481 -1.216 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.702 -2.684 -0.921 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.324 -0.810 -2.409 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.641 -3.209 -1.815 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.264 -1.338 -3.303 1.00 0.00 C ATOM 677 CZ TYR A 39 9.922 -2.537 -3.006 1.00 0.00 C ATOM 678 OH TYR A 39 10.848 -3.054 -3.889 1.00 0.00 O ATOM 0 H TYR A 39 6.615 0.318 2.334 1.00 0.00 H new ATOM 0 HA TYR A 39 7.308 -2.410 1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.020 -1.253 -0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.007 0.183 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.486 -3.206 -0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.819 0.116 -2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.148 -4.134 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.482 -0.818 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 39 10.923 -2.463 -4.667 1.00 0.00 H new ATOM 688 N ASP A 40 9.686 -1.853 1.715 1.00 0.00 N ATOM 689 CA ASP A 40 11.095 -1.493 2.054 1.00 0.00 C ATOM 690 C ASP A 40 12.073 -2.366 1.256 1.00 0.00 C ATOM 691 O ASP A 40 12.431 -3.442 1.689 1.00 0.00 O ATOM 692 CB ASP A 40 11.226 -1.774 3.551 1.00 0.00 C ATOM 693 CG ASP A 40 12.325 -0.890 4.143 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.285 -0.621 3.441 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.186 -0.496 5.290 1.00 0.00 O ATOM 0 H ASP A 40 9.496 -2.853 1.642 1.00 0.00 H new ATOM 0 HA ASP A 40 11.325 -0.456 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.278 -1.579 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.463 -2.825 3.715 1.00 0.00 H new ATOM 838 N LEU A 49 7.819 -6.841 2.190 1.00 0.00 N ATOM 839 CA LEU A 49 6.537 -6.124 1.939 1.00 0.00 C ATOM 840 C LEU A 49 5.519 -6.406 3.046 1.00 0.00 C ATOM 841 O LEU A 49 5.244 -7.541 3.384 1.00 0.00 O ATOM 842 CB LEU A 49 6.038 -6.671 0.604 1.00 0.00 C ATOM 843 CG LEU A 49 5.159 -5.624 -0.081 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.980 -4.366 -0.369 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.621 -6.201 -1.389 1.00 0.00 C ATOM 0 HA LEU A 49 6.676 -5.043 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.883 -6.926 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.471 -7.588 0.764 1.00 0.00 H new ATOM 0 HG LEU A 49 4.327 -5.361 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.349 -3.623 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.362 -3.959 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.815 -4.618 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.993 -5.459 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.454 -6.463 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.031 -7.093 -1.178 1.00 0.00 H new ATOM 857 N LYS A 50 4.947 -5.373 3.597 1.00 0.00 N ATOM 858 CA LYS A 50 3.927 -5.556 4.671 1.00 0.00 C ATOM 859 C LYS A 50 2.675 -4.763 4.299 1.00 0.00 C ATOM 860 O LYS A 50 2.687 -3.549 4.289 1.00 0.00 O ATOM 861 CB LYS A 50 4.562 -4.988 5.945 1.00 0.00 C ATOM 862 CG LYS A 50 5.958 -5.584 6.144 1.00 0.00 C ATOM 863 CD LYS A 50 5.854 -7.106 6.257 1.00 0.00 C ATOM 864 CE LYS A 50 6.459 -7.562 7.587 1.00 0.00 C ATOM 865 NZ LYS A 50 5.380 -8.347 8.249 1.00 0.00 N ATOM 0 H LYS A 50 5.142 -4.403 3.349 1.00 0.00 H new ATOM 0 HA LYS A 50 3.640 -6.599 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.628 -3.902 5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.934 -5.215 6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.602 -5.314 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.415 -5.173 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.811 -7.415 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.377 -7.580 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.350 -8.170 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.759 -6.710 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.718 -8.695 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.548 -7.740 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.120 -9.155 7.648 1.00 0.00 H new ATOM 879 N VAL A 51 1.599 -5.427 3.969 1.00 0.00 N ATOM 880 CA VAL A 51 0.377 -4.674 3.576 1.00 0.00 C ATOM 881 C VAL A 51 -0.868 -5.214 4.274 1.00 0.00 C ATOM 882 O VAL A 51 -0.933 -6.347 4.704 1.00 0.00 O ATOM 883 CB VAL A 51 0.273 -4.870 2.040 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.185 -5.062 1.580 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.815 -3.638 1.338 1.00 0.00 C ATOM 0 H VAL A 51 1.515 -6.443 3.955 1.00 0.00 H new ATOM 0 HA VAL A 51 0.443 -3.624 3.862 1.00 0.00 H new ATOM 0 HB VAL A 51 0.846 -5.763 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.211 -5.196 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.606 -5.943 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.771 -4.184 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.743 -3.773 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.233 -2.765 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.858 -3.490 1.616 1.00 0.00 H new ATOM 895 N ASP A 52 -1.879 -4.403 4.297 1.00 0.00 N ATOM 896 CA ASP A 52 -3.178 -4.826 4.855 1.00 0.00 C ATOM 897 C ASP A 52 -4.086 -5.066 3.652 1.00 0.00 C ATOM 898 O ASP A 52 -5.004 -4.310 3.403 1.00 0.00 O ATOM 899 CB ASP A 52 -3.670 -3.642 5.692 1.00 0.00 C ATOM 900 CG ASP A 52 -4.559 -4.153 6.827 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.162 -5.103 7.482 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.623 -3.588 7.019 1.00 0.00 O ATOM 0 H ASP A 52 -1.857 -3.446 3.945 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.142 -5.724 5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.821 -3.094 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.227 -2.946 5.065 1.00 0.00 H new ATOM 907 N VAL A 53 -3.775 -6.089 2.873 1.00 0.00 N ATOM 908 CA VAL A 53 -4.550 -6.404 1.620 1.00 0.00 C ATOM 909 C VAL A 53 -6.035 -6.045 1.769 1.00 0.00 C ATOM 910 O VAL A 53 -6.669 -5.633 0.821 1.00 0.00 O ATOM 911 CB VAL A 53 -4.325 -7.917 1.329 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.174 -8.719 2.625 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.494 -8.500 0.518 1.00 0.00 C ATOM 0 H VAL A 53 -3.002 -6.728 3.059 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.200 -5.805 0.779 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.404 -7.996 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.018 -9.771 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.319 -8.344 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.077 -8.613 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.313 -9.558 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.420 -8.386 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.579 -7.970 -0.431 1.00 0.00 H new ATOM 923 N GLU A 54 -6.587 -6.164 2.941 1.00 0.00 N ATOM 924 CA GLU A 54 -8.014 -5.789 3.105 1.00 0.00 C ATOM 925 C GLU A 54 -8.177 -4.296 2.827 1.00 0.00 C ATOM 926 O GLU A 54 -8.993 -3.889 2.025 1.00 0.00 O ATOM 927 CB GLU A 54 -8.367 -6.121 4.555 1.00 0.00 C ATOM 928 CG GLU A 54 -9.458 -7.193 4.583 1.00 0.00 C ATOM 929 CD GLU A 54 -8.816 -8.575 4.446 1.00 0.00 C ATOM 930 OE1 GLU A 54 -7.937 -8.878 5.234 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.215 -9.305 3.553 1.00 0.00 O ATOM 0 H GLU A 54 -6.119 -6.500 3.782 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.669 -6.322 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.482 -6.474 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.710 -5.224 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.020 -7.132 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.167 -7.027 3.772 1.00 0.00 H new ATOM 938 N ARG A 55 -7.395 -3.476 3.471 1.00 0.00 N ATOM 939 CA ARG A 55 -7.495 -2.017 3.226 1.00 0.00 C ATOM 940 C ARG A 55 -6.839 -1.680 1.886 1.00 0.00 C ATOM 941 O ARG A 55 -7.281 -0.809 1.171 1.00 0.00 O ATOM 942 CB ARG A 55 -6.747 -1.370 4.388 1.00 0.00 C ATOM 943 CG ARG A 55 -7.737 -1.053 5.511 1.00 0.00 C ATOM 944 CD ARG A 55 -7.655 0.435 5.848 1.00 0.00 C ATOM 945 NE ARG A 55 -6.234 0.650 6.241 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.844 0.506 7.486 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.674 0.101 8.416 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.600 0.746 7.799 1.00 0.00 N ATOM 0 H ARG A 55 -6.692 -3.756 4.155 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.524 -1.663 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.968 -2.040 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.253 -0.458 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.750 -1.313 5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.508 -1.651 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.928 1.052 4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.335 0.697 6.659 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.552 0.914 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.643 -0.109 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.350 -0.004 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.941 1.042 7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.287 0.637 8.764 1.00 0.00 H new ATOM 962 N ALA A 56 -5.809 -2.390 1.518 1.00 0.00 N ATOM 963 CA ALA A 56 -5.172 -2.127 0.206 1.00 0.00 C ATOM 964 C ALA A 56 -6.159 -2.572 -0.881 1.00 0.00 C ATOM 965 O ALA A 56 -6.143 -2.082 -1.996 1.00 0.00 O ATOM 966 CB ALA A 56 -3.879 -2.956 0.212 1.00 0.00 C ATOM 0 H ALA A 56 -5.385 -3.137 2.069 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.932 -1.081 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.350 -2.813 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.244 -2.634 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.124 -4.011 0.334 1.00 0.00 H new ATOM 972 N ARG A 57 -7.056 -3.477 -0.545 1.00 0.00 N ATOM 973 CA ARG A 57 -8.067 -3.925 -1.533 1.00 0.00 C ATOM 974 C ARG A 57 -9.275 -2.978 -1.504 1.00 0.00 C ATOM 975 O ARG A 57 -10.018 -2.870 -2.459 1.00 0.00 O ATOM 976 CB ARG A 57 -8.476 -5.332 -1.093 1.00 0.00 C ATOM 977 CG ARG A 57 -9.581 -5.856 -2.012 1.00 0.00 C ATOM 978 CD ARG A 57 -9.779 -7.354 -1.769 1.00 0.00 C ATOM 979 NE ARG A 57 -11.241 -7.583 -1.958 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.103 -7.214 -1.039 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.702 -6.644 0.070 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.378 -7.417 -1.233 1.00 0.00 N ATOM 0 H ARG A 57 -7.122 -3.917 0.373 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.677 -3.924 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.615 -5.999 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.826 -5.314 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.511 -5.320 -1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.317 -5.678 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.192 -7.949 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.461 -7.637 -0.766 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.575 -8.031 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.708 -6.481 0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.384 -6.363 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.699 -7.860 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.053 -7.133 -0.523 1.00 0.00 H new ATOM 996 N TYR A 58 -9.455 -2.271 -0.417 1.00 0.00 N ATOM 997 CA TYR A 58 -10.581 -1.303 -0.314 1.00 0.00 C ATOM 998 C TYR A 58 -10.380 -0.272 -1.402 1.00 0.00 C ATOM 999 O TYR A 58 -11.253 0.048 -2.188 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.394 -0.680 1.083 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.845 0.773 1.134 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.047 1.157 0.528 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.059 1.730 1.795 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.465 2.492 0.582 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.478 3.065 1.846 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.681 3.445 1.242 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.095 4.761 1.295 1.00 0.00 O ATOM 0 H TYR A 58 -8.861 -2.326 0.411 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.576 -1.732 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.958 -1.259 1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.344 -0.742 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.653 0.422 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.131 1.437 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.393 2.787 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.872 3.802 2.352 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.375 5.344 0.975 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.201 0.237 -1.421 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.833 1.258 -2.414 1.00 0.00 C ATOM 1019 C TRP A 59 -8.985 0.690 -3.803 1.00 0.00 C ATOM 1020 O TRP A 59 -9.695 1.223 -4.631 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.401 1.604 -2.059 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.503 2.421 -0.830 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.112 2.063 0.408 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.122 3.711 -0.715 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.426 3.093 1.283 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.057 4.135 0.628 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.715 4.547 -1.659 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.576 5.367 1.023 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.243 5.785 -1.272 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.173 6.195 0.066 1.00 0.00 C ATOM 0 H TRP A 59 -8.455 -0.017 -0.774 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.461 2.149 -2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.808 0.706 -1.889 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.917 2.158 -2.863 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.635 1.132 0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.218 3.083 2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.768 4.239 -2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.518 5.679 2.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.706 6.426 -2.008 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.580 7.151 0.359 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.380 -0.428 -4.053 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.559 -1.067 -5.381 1.00 0.00 C ATOM 1043 C LEU A 60 -10.066 -1.237 -5.630 1.00 0.00 C ATOM 1044 O LEU A 60 -10.517 -1.342 -6.754 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.866 -2.425 -5.271 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.373 -2.262 -5.557 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.571 -3.139 -4.594 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.081 -2.687 -6.997 1.00 0.00 C ATOM 0 H LEU A 60 -7.773 -0.927 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.143 -0.485 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.013 -2.840 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.307 -3.128 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.088 -1.219 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.506 -3.023 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.779 -2.837 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.855 -4.183 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.017 -2.571 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.365 -3.730 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.653 -2.063 -7.684 1.00 0.00 H new ATOM 1060 N SER A 61 -10.848 -1.247 -4.570 1.00 0.00 N ATOM 1061 CA SER A 61 -12.319 -1.391 -4.722 1.00 0.00 C ATOM 1062 C SER A 61 -12.945 -0.059 -5.156 1.00 0.00 C ATOM 1063 O SER A 61 -14.016 -0.029 -5.727 1.00 0.00 O ATOM 1064 CB SER A 61 -12.825 -1.794 -3.338 1.00 0.00 C ATOM 1065 OG SER A 61 -13.574 -2.997 -3.445 1.00 0.00 O ATOM 0 H SER A 61 -10.520 -1.161 -3.608 1.00 0.00 H new ATOM 0 HA SER A 61 -12.582 -2.126 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.985 -1.934 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.446 -1.001 -2.920 1.00 0.00 H new ATOM 0 HG SER A 61 -13.899 -3.260 -2.559 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.290 1.048 -4.899 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.863 2.354 -5.310 1.00 0.00 C ATOM 1073 C VAL A 62 -12.218 2.812 -6.618 1.00 0.00 C ATOM 1074 O VAL A 62 -12.038 3.988 -6.863 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.551 3.338 -4.171 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.994 2.753 -2.829 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.048 3.643 -4.111 1.00 0.00 C ATOM 0 H VAL A 62 -11.388 1.097 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.937 2.290 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.096 4.261 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.767 3.460 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.067 2.563 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.464 1.818 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.851 4.341 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.496 2.719 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.729 4.085 -5.055 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.870 1.880 -7.452 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.231 2.235 -8.749 1.00 0.00 C ATOM 1089 C GLY A 63 -9.833 2.802 -8.489 1.00 0.00 C ATOM 1090 O GLY A 63 -9.306 3.561 -9.277 1.00 0.00 O ATOM 0 H GLY A 63 -12.000 0.881 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.165 1.354 -9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.840 2.968 -9.278 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.227 2.438 -7.390 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.866 2.956 -7.088 1.00 0.00 C ATOM 1096 C ALA A 64 -6.864 2.400 -8.102 1.00 0.00 C ATOM 1097 O ALA A 64 -6.814 1.212 -8.350 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.551 2.447 -5.681 1.00 0.00 C ATOM 0 H ALA A 64 -9.617 1.805 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.810 4.043 -7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.559 2.788 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.292 2.832 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.577 1.357 -5.674 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.072 3.248 -8.698 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.083 2.760 -9.704 1.00 0.00 C ATOM 1106 C GLN A 65 -3.679 2.675 -9.086 1.00 0.00 C ATOM 1107 O GLN A 65 -3.116 3.681 -8.701 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.106 3.807 -10.819 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.907 3.270 -12.005 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.022 4.358 -13.075 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.650 5.376 -12.858 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.438 4.185 -14.229 1.00 0.00 N ATOM 0 H GLN A 65 -6.065 4.255 -8.534 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.330 1.762 -10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.552 4.732 -10.454 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.089 4.044 -11.131 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.418 2.388 -12.419 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.899 2.960 -11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.911 3.331 -14.411 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.508 4.904 -14.949 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.150 1.476 -9.015 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.797 1.287 -8.446 1.00 0.00 C ATOM 1123 C PRO A 66 -0.735 1.574 -9.516 1.00 0.00 C ATOM 1124 O PRO A 66 -0.786 1.039 -10.606 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.779 -0.185 -8.061 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.778 -0.849 -8.960 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.747 0.204 -9.440 1.00 0.00 C ATOM 0 HA PRO A 66 -1.584 1.948 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.786 -0.613 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.045 -0.319 -7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.276 -1.319 -9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.307 -1.638 -8.425 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.870 0.166 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.735 0.063 -9.001 1.00 0.00 H new ATOM 1135 N THR A 67 0.224 2.410 -9.225 1.00 0.00 N ATOM 1136 CA THR A 67 1.274 2.713 -10.242 1.00 0.00 C ATOM 1137 C THR A 67 1.941 1.416 -10.717 1.00 0.00 C ATOM 1138 O THR A 67 1.649 0.343 -10.226 1.00 0.00 O ATOM 1139 CB THR A 67 2.287 3.603 -9.520 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.385 3.861 -10.382 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.782 2.900 -8.255 1.00 0.00 C ATOM 0 H THR A 67 0.327 2.894 -8.333 1.00 0.00 H new ATOM 0 HA THR A 67 0.862 3.201 -11.125 1.00 0.00 H new ATOM 0 HB THR A 67 1.811 4.544 -9.244 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.035 4.433 -9.922 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.503 3.537 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.938 2.704 -7.594 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.258 1.957 -8.525 1.00 0.00 H new ATOM 1149 N ASP A 68 2.839 1.506 -11.667 1.00 0.00 N ATOM 1150 CA ASP A 68 3.524 0.275 -12.173 1.00 0.00 C ATOM 1151 C ASP A 68 4.597 -0.191 -11.180 1.00 0.00 C ATOM 1152 O ASP A 68 5.750 -0.353 -11.525 1.00 0.00 O ATOM 1153 CB ASP A 68 4.165 0.696 -13.497 1.00 0.00 C ATOM 1154 CG ASP A 68 3.439 0.010 -14.656 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.222 0.083 -14.691 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.113 -0.576 -15.487 1.00 0.00 O ATOM 0 H ASP A 68 3.127 2.377 -12.114 1.00 0.00 H new ATOM 0 HA ASP A 68 2.831 -0.557 -12.299 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.112 1.779 -13.611 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.221 0.426 -13.504 1.00 0.00 H new ATOM 1161 N THR A 69 4.213 -0.410 -9.952 1.00 0.00 N ATOM 1162 CA THR A 69 5.176 -0.869 -8.909 1.00 0.00 C ATOM 1163 C THR A 69 4.380 -1.346 -7.702 1.00 0.00 C ATOM 1164 O THR A 69 4.438 -2.494 -7.310 1.00 0.00 O ATOM 1165 CB THR A 69 5.981 0.361 -8.525 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.408 1.054 -9.690 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.199 -0.046 -7.691 1.00 0.00 C ATOM 0 H THR A 69 3.256 -0.288 -9.621 1.00 0.00 H new ATOM 0 HA THR A 69 5.818 -1.678 -9.258 1.00 0.00 H new ATOM 0 HB THR A 69 5.346 1.020 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.700 0.408 -10.367 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.769 0.843 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.867 -0.553 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.830 -0.719 -8.272 1.00 0.00 H new ATOM 1175 N ALA A 70 3.604 -0.463 -7.133 1.00 0.00 N ATOM 1176 CA ALA A 70 2.762 -0.844 -5.980 1.00 0.00 C ATOM 1177 C ALA A 70 1.722 -1.841 -6.467 1.00 0.00 C ATOM 1178 O ALA A 70 1.204 -2.638 -5.712 1.00 0.00 O ATOM 1179 CB ALA A 70 2.098 0.454 -5.517 1.00 0.00 C ATOM 0 H ALA A 70 3.522 0.511 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 70 3.322 -1.304 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.455 0.249 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.865 1.173 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.499 0.866 -6.329 1.00 0.00 H new ATOM 1185 N ARG A 71 1.435 -1.821 -7.744 1.00 0.00 N ATOM 1186 CA ARG A 71 0.465 -2.782 -8.286 1.00 0.00 C ATOM 1187 C ARG A 71 1.074 -4.163 -8.138 1.00 0.00 C ATOM 1188 O ARG A 71 0.424 -5.107 -7.735 1.00 0.00 O ATOM 1189 CB ARG A 71 0.293 -2.408 -9.765 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.474 -3.513 -10.499 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.085 -2.949 -11.783 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.034 -3.136 -12.826 1.00 0.00 N ATOM 1193 CZ ARG A 71 0.251 -4.331 -13.288 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.378 -5.393 -12.847 1.00 0.00 N ATOM 1195 NH2 ARG A 71 1.173 -4.464 -14.201 1.00 0.00 N ATOM 0 H ARG A 71 1.837 -1.176 -8.424 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.501 -2.769 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.244 -1.463 -9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.269 -2.262 -10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.197 -4.339 -10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.258 -3.913 -9.857 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.002 -3.475 -12.048 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.344 -1.896 -11.668 1.00 0.00 H new ATOM 0 HE ARG A 71 0.469 -2.325 -13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.101 -5.298 -12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.144 -6.314 -13.217 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.667 -3.643 -14.551 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.400 -5.389 -14.565 1.00 0.00 H new ATOM 1209 N ARG A 72 2.339 -4.279 -8.440 1.00 0.00 N ATOM 1210 CA ARG A 72 2.997 -5.593 -8.301 1.00 0.00 C ATOM 1211 C ARG A 72 3.075 -5.968 -6.823 1.00 0.00 C ATOM 1212 O ARG A 72 2.823 -7.093 -6.439 1.00 0.00 O ATOM 1213 CB ARG A 72 4.392 -5.415 -8.896 1.00 0.00 C ATOM 1214 CG ARG A 72 4.582 -6.406 -10.042 1.00 0.00 C ATOM 1215 CD ARG A 72 6.017 -6.310 -10.566 1.00 0.00 C ATOM 1216 NE ARG A 72 5.915 -5.503 -11.816 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.962 -4.882 -12.305 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.128 -4.955 -11.714 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.840 -4.179 -13.400 1.00 0.00 N ATOM 0 H ARG A 72 2.935 -3.522 -8.774 1.00 0.00 H new ATOM 0 HA ARG A 72 2.454 -6.390 -8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.518 -4.395 -9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.150 -5.578 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.376 -7.420 -9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.875 -6.191 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.672 -5.831 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.432 -7.298 -10.766 1.00 0.00 H new ATOM 0 HE ARG A 72 5.019 -5.433 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.233 -5.501 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.931 -4.466 -12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.936 -4.116 -13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.649 -3.693 -13.787 1.00 0.00 H new ATOM 1233 N LEU A 73 3.407 -5.023 -5.989 1.00 0.00 N ATOM 1234 CA LEU A 73 3.485 -5.302 -4.540 1.00 0.00 C ATOM 1235 C LEU A 73 2.080 -5.567 -4.023 1.00 0.00 C ATOM 1236 O LEU A 73 1.887 -6.279 -3.059 1.00 0.00 O ATOM 1237 CB LEU A 73 4.075 -4.040 -3.906 1.00 0.00 C ATOM 1238 CG LEU A 73 5.404 -3.687 -4.580 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.699 -2.202 -4.366 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.533 -4.523 -3.971 1.00 0.00 C ATOM 0 H LEU A 73 3.628 -4.064 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 73 4.098 -6.172 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.375 -3.211 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.230 -4.198 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 73 5.336 -3.899 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.644 -1.946 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.898 -1.605 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.765 -1.994 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.476 -4.268 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.604 -4.315 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.323 -5.582 -4.121 1.00 0.00 H new ATOM 1252 N LEU A 74 1.089 -5.026 -4.679 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.298 -5.290 -4.240 1.00 0.00 C ATOM 1254 C LEU A 74 -0.585 -6.764 -4.502 1.00 0.00 C ATOM 1255 O LEU A 74 -1.324 -7.408 -3.787 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.179 -4.386 -5.101 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.321 -3.022 -4.422 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.021 -2.049 -5.369 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.152 -3.170 -3.145 1.00 0.00 C ATOM 0 H LEU A 74 1.185 -4.418 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.475 -5.089 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.740 -4.268 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.160 -4.840 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.331 -2.639 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.121 -1.078 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.432 -1.941 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.010 -2.433 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.253 -2.198 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.140 -3.554 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.655 -3.863 -2.466 1.00 0.00 H new ATOM 1271 N ARG A 75 0.044 -7.312 -5.510 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.138 -8.755 -5.810 1.00 0.00 C ATOM 1273 C ARG A 75 0.665 -9.536 -4.788 1.00 0.00 C ATOM 1274 O ARG A 75 0.296 -10.611 -4.359 1.00 0.00 O ATOM 1275 CB ARG A 75 0.453 -8.991 -7.208 1.00 0.00 C ATOM 1276 CG ARG A 75 0.049 -7.865 -8.151 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.287 -8.444 -9.528 1.00 0.00 C ATOM 1278 NE ARG A 75 0.981 -9.066 -10.010 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.160 -9.320 -11.287 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.224 -9.055 -12.163 1.00 0.00 N ATOM 1281 NH2 ARG A 75 2.284 -9.849 -11.687 1.00 0.00 N ATOM 0 H ARG A 75 0.677 -6.816 -6.138 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.184 -9.061 -5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.540 -9.050 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.104 -9.946 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.813 -7.332 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.859 -7.141 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.087 -9.181 -9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.628 -7.665 -10.210 1.00 0.00 H new ATOM 0 HE ARG A 75 1.716 -9.296 -9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.659 -8.646 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.378 -9.258 -13.151 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.017 -10.063 -11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.430 -10.049 -12.677 1.00 0.00 H new ATOM 1295 N GLN A 76 1.776 -8.980 -4.403 1.00 0.00 N ATOM 1296 CA GLN A 76 2.645 -9.642 -3.416 1.00 0.00 C ATOM 1297 C GLN A 76 2.057 -9.489 -2.025 1.00 0.00 C ATOM 1298 O GLN A 76 2.242 -10.316 -1.155 1.00 0.00 O ATOM 1299 CB GLN A 76 3.966 -8.908 -3.552 1.00 0.00 C ATOM 1300 CG GLN A 76 5.120 -9.830 -3.161 1.00 0.00 C ATOM 1301 CD GLN A 76 6.076 -9.961 -4.346 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.602 -11.024 -4.605 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.321 -8.913 -5.086 1.00 0.00 N ATOM 0 H GLN A 76 2.118 -8.080 -4.740 1.00 0.00 H new ATOM 0 HA GLN A 76 2.756 -10.714 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.096 -8.564 -4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.966 -8.022 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.646 -9.428 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.738 -10.810 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.879 -8.020 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.955 -8.988 -5.882 1.00 0.00 H new ATOM 1312 N ALA A 77 1.333 -8.439 -1.827 1.00 0.00 N ATOM 1313 CA ALA A 77 0.694 -8.205 -0.511 1.00 0.00 C ATOM 1314 C ALA A 77 -0.431 -9.224 -0.276 1.00 0.00 C ATOM 1315 O ALA A 77 -0.999 -9.295 0.795 1.00 0.00 O ATOM 1316 CB ALA A 77 0.121 -6.794 -0.605 1.00 0.00 C ATOM 0 H ALA A 77 1.152 -7.720 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 77 1.396 -8.312 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.373 -6.539 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.927 -6.086 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.602 -6.748 -1.420 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.761 -10.010 -1.271 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.850 -11.013 -1.103 1.00 0.00 C ATOM 1324 C GLY A 78 -3.178 -10.420 -1.586 1.00 0.00 C ATOM 1325 O GLY A 78 -4.240 -10.891 -1.229 1.00 0.00 O ATOM 0 H GLY A 78 -0.321 -9.998 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.617 -11.915 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.930 -11.305 -0.056 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.133 -9.387 -2.388 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.398 -8.770 -2.876 1.00 0.00 C ATOM 1331 C VAL A 79 -4.895 -9.478 -4.143 1.00 0.00 C ATOM 1332 O VAL A 79 -5.948 -10.083 -4.149 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.065 -7.309 -3.175 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.362 -6.532 -3.406 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.314 -6.689 -1.990 1.00 0.00 C ATOM 0 H VAL A 79 -2.276 -8.947 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.192 -8.856 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.437 -7.261 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.128 -5.489 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.899 -6.964 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.984 -6.589 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.081 -5.648 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.938 -6.739 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.389 -7.239 -1.817 1.00 0.00 H new