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 180: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 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.7) USER MOD Single : A 67 THR OG1 : rot 172:sc= -1.81 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.357 7.791 -7.255 1.00 0.00 N ATOM 21 CA VAL A 2 -7.439 7.360 -6.160 1.00 0.00 C ATOM 22 C VAL A 2 -6.321 6.485 -6.731 1.00 0.00 C ATOM 23 O VAL A 2 -6.541 5.677 -7.610 1.00 0.00 O ATOM 24 CB VAL A 2 -8.315 6.552 -5.202 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.503 6.181 -3.959 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.526 7.389 -4.785 1.00 0.00 C ATOM 0 HA VAL A 2 -6.963 8.204 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.655 5.645 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.127 5.605 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.640 5.584 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.163 7.090 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.150 6.812 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.187 8.297 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.106 7.655 -5.669 1.00 0.00 H new ATOM 36 N LYS A 3 -5.119 6.640 -6.246 1.00 0.00 N ATOM 37 CA LYS A 3 -3.997 5.812 -6.773 1.00 0.00 C ATOM 38 C LYS A 3 -3.060 5.382 -5.639 1.00 0.00 C ATOM 39 O LYS A 3 -2.722 6.166 -4.775 1.00 0.00 O ATOM 40 CB LYS A 3 -3.257 6.728 -7.747 1.00 0.00 C ATOM 41 CG LYS A 3 -4.177 7.086 -8.916 1.00 0.00 C ATOM 42 CD LYS A 3 -3.335 7.574 -10.096 1.00 0.00 C ATOM 43 CE LYS A 3 -3.851 6.939 -11.389 1.00 0.00 C ATOM 44 NZ LYS A 3 -3.739 8.012 -12.416 1.00 0.00 N ATOM 0 H LYS A 3 -4.866 7.301 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.355 4.899 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.934 7.634 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.359 6.233 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.765 6.216 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.882 7.860 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.385 8.661 -10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.288 7.312 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.259 6.066 -11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.882 6.603 -11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.075 7.652 -13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.318 8.827 -12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.745 8.307 -12.503 1.00 0.00 H new ATOM 58 N ILE A 4 -2.619 4.152 -5.645 1.00 0.00 N ATOM 59 CA ILE A 4 -1.686 3.698 -4.581 1.00 0.00 C ATOM 60 C ILE A 4 -0.264 3.637 -5.157 1.00 0.00 C ATOM 61 O ILE A 4 -0.043 3.117 -6.233 1.00 0.00 O ATOM 62 CB ILE A 4 -2.195 2.322 -4.133 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.435 2.510 -3.256 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.117 1.590 -3.326 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.181 1.179 -3.131 1.00 0.00 C ATOM 0 H ILE A 4 -2.865 3.447 -6.339 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.650 4.373 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.441 1.730 -5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.144 2.870 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.089 3.266 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.494 0.615 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.229 1.456 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.861 2.178 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.064 1.314 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.485 0.838 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.526 0.436 -2.677 1.00 0.00 H new ATOM 77 N ARG A 5 0.699 4.178 -4.458 1.00 0.00 N ATOM 78 CA ARG A 5 2.095 4.163 -4.974 1.00 0.00 C ATOM 79 C ARG A 5 3.091 4.153 -3.815 1.00 0.00 C ATOM 80 O ARG A 5 2.720 3.974 -2.676 1.00 0.00 O ATOM 81 CB ARG A 5 2.233 5.443 -5.801 1.00 0.00 C ATOM 82 CG ARG A 5 2.099 6.667 -4.892 1.00 0.00 C ATOM 83 CD ARG A 5 2.274 7.938 -5.727 1.00 0.00 C ATOM 84 NE ARG A 5 3.020 8.881 -4.844 1.00 0.00 N ATOM 85 CZ ARG A 5 3.475 10.019 -5.311 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.298 10.351 -6.567 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.112 10.833 -4.514 1.00 0.00 N ATOM 0 H ARG A 5 0.577 4.629 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 5 2.302 3.275 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.199 5.458 -6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.468 5.470 -6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.123 6.669 -4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.849 6.631 -4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.827 7.735 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.310 8.352 -6.022 1.00 0.00 H new ATOM 0 HE ARG A 5 3.178 8.638 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.800 9.721 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.658 11.240 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.253 10.582 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.469 11.720 -4.870 1.00 0.00 H new ATOM 101 N LEU A 6 4.352 4.342 -4.092 1.00 0.00 N ATOM 102 CA LEU A 6 5.359 4.328 -2.992 1.00 0.00 C ATOM 103 C LEU A 6 5.559 5.720 -2.401 1.00 0.00 C ATOM 104 O LEU A 6 5.775 6.688 -3.103 1.00 0.00 O ATOM 105 CB LEU A 6 6.662 3.851 -3.630 1.00 0.00 C ATOM 106 CG LEU A 6 6.423 2.546 -4.376 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.742 2.047 -4.970 1.00 0.00 C ATOM 108 CD2 LEU A 6 5.863 1.496 -3.416 1.00 0.00 C ATOM 0 H LEU A 6 4.728 4.505 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 6 5.031 3.682 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.040 4.609 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.422 3.708 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 6 5.705 2.717 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.570 1.112 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.135 2.793 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.462 1.880 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.694 0.564 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.575 1.324 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.920 1.850 -2.999 1.00 0.00 H new ATOM 120 N ALA A 7 5.499 5.815 -1.106 1.00 0.00 N ATOM 121 CA ALA A 7 5.696 7.132 -0.436 1.00 0.00 C ATOM 122 C ALA A 7 7.115 7.234 0.122 1.00 0.00 C ATOM 123 O ALA A 7 7.433 6.632 1.121 1.00 0.00 O ATOM 124 CB ALA A 7 4.689 7.131 0.707 1.00 0.00 C ATOM 0 H ALA A 7 5.321 5.033 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 7 5.557 7.970 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.764 8.068 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.682 7.026 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.900 6.298 1.377 1.00 0.00 H new ATOM 130 N ARG A 8 7.973 7.985 -0.512 1.00 0.00 N ATOM 131 CA ARG A 8 9.367 8.102 -0.003 1.00 0.00 C ATOM 132 C ARG A 8 9.434 9.009 1.225 1.00 0.00 C ATOM 133 O ARG A 8 9.080 10.171 1.177 1.00 0.00 O ATOM 134 CB ARG A 8 10.171 8.704 -1.154 1.00 0.00 C ATOM 135 CG ARG A 8 10.175 7.736 -2.338 1.00 0.00 C ATOM 136 CD ARG A 8 9.388 8.347 -3.496 1.00 0.00 C ATOM 137 NE ARG A 8 10.348 8.382 -4.637 1.00 0.00 N ATOM 138 CZ ARG A 8 11.293 9.292 -4.696 1.00 0.00 C ATOM 139 NH1 ARG A 8 11.414 10.201 -3.761 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.124 9.291 -5.701 1.00 0.00 N ATOM 0 H ARG A 8 7.770 8.520 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 8 9.757 7.133 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.738 9.659 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.193 8.904 -0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.199 7.529 -2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.732 6.784 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.510 7.747 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.033 9.347 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 8 10.269 7.690 -5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.768 10.209 -2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.154 10.901 -3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.037 8.587 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.861 9.994 -5.754 1.00 0.00 H new ATOM 276 N TYR A 17 9.610 3.029 1.208 1.00 0.00 N ATOM 277 CA TYR A 17 8.410 3.802 0.837 1.00 0.00 C ATOM 278 C TYR A 17 7.181 3.033 1.289 1.00 0.00 C ATOM 279 O TYR A 17 7.207 1.819 1.343 1.00 0.00 O ATOM 280 CB TYR A 17 8.371 3.834 -0.682 1.00 0.00 C ATOM 281 CG TYR A 17 9.666 4.291 -1.302 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.577 5.064 -0.586 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.931 3.950 -2.633 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.752 5.501 -1.197 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.104 4.379 -3.246 1.00 0.00 C ATOM 286 CZ TYR A 17 12.020 5.160 -2.531 1.00 0.00 C ATOM 287 OH TYR A 17 13.183 5.591 -3.136 1.00 0.00 O ATOM 0 HA TYR A 17 8.431 4.797 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.130 2.838 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.568 4.497 -1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.373 5.325 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.222 3.352 -3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.457 6.103 -0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.308 4.110 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 17 13.211 5.265 -4.060 1.00 0.00 H new ATOM 297 N ARG A 18 6.089 3.691 1.538 1.00 0.00 N ATOM 298 CA ARG A 18 4.875 2.912 1.891 1.00 0.00 C ATOM 299 C ARG A 18 4.035 2.805 0.639 1.00 0.00 C ATOM 300 O ARG A 18 4.149 3.613 -0.262 1.00 0.00 O ATOM 301 CB ARG A 18 4.095 3.689 2.948 1.00 0.00 C ATOM 302 CG ARG A 18 4.749 3.531 4.321 1.00 0.00 C ATOM 303 CD ARG A 18 3.665 3.236 5.361 1.00 0.00 C ATOM 304 NE ARG A 18 4.397 3.062 6.649 1.00 0.00 N ATOM 305 CZ ARG A 18 3.747 2.984 7.787 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.441 3.076 7.825 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.411 2.813 8.896 1.00 0.00 N ATOM 0 H ARG A 18 5.983 4.705 1.514 1.00 0.00 H new ATOM 0 HA ARG A 18 5.131 1.924 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.056 4.744 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.066 3.331 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.479 2.722 4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.288 4.440 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.946 4.053 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.105 2.338 5.102 1.00 0.00 H new ATOM 0 HE ARG A 18 5.415 3.003 6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.914 3.210 6.962 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.951 3.013 8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.428 2.741 8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.913 2.751 9.784 1.00 0.00 H new ATOM 321 N ILE A 19 3.157 1.869 0.593 1.00 0.00 N ATOM 322 CA ILE A 19 2.274 1.769 -0.574 1.00 0.00 C ATOM 323 C ILE A 19 1.008 2.431 -0.082 1.00 0.00 C ATOM 324 O ILE A 19 0.105 1.808 0.439 1.00 0.00 O ATOM 325 CB ILE A 19 2.095 0.279 -0.898 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.275 -0.564 -0.370 1.00 0.00 C ATOM 327 CG2 ILE A 19 2.036 0.106 -2.414 1.00 0.00 C ATOM 328 CD1 ILE A 19 3.082 -2.029 -0.766 1.00 0.00 C ATOM 0 H ILE A 19 3.011 1.165 1.316 1.00 0.00 H new ATOM 0 HA ILE A 19 2.629 2.237 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 19 1.177 -0.060 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.214 -0.188 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.340 -0.476 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.909 -0.949 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.195 0.673 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.962 0.471 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.917 -2.620 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.152 -2.402 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.039 -2.110 -1.852 1.00 0.00 H new ATOM 340 N VAL A 20 1.020 3.729 -0.135 1.00 0.00 N ATOM 341 CA VAL A 20 -0.079 4.521 0.438 1.00 0.00 C ATOM 342 C VAL A 20 -1.089 4.928 -0.632 1.00 0.00 C ATOM 343 O VAL A 20 -0.853 4.792 -1.815 1.00 0.00 O ATOM 344 CB VAL A 20 0.681 5.710 1.070 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.656 6.957 0.182 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.085 6.040 2.431 1.00 0.00 C ATOM 0 H VAL A 20 1.765 4.280 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.694 3.991 1.165 1.00 0.00 H new ATOM 0 HB VAL A 20 1.722 5.406 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.203 7.763 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.123 6.731 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.376 7.267 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.625 6.878 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.965 6.306 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.168 5.172 3.085 1.00 0.00 H new ATOM 356 N VAL A 21 -2.236 5.372 -0.210 1.00 0.00 N ATOM 357 CA VAL A 21 -3.301 5.726 -1.178 1.00 0.00 C ATOM 358 C VAL A 21 -3.517 7.237 -1.215 1.00 0.00 C ATOM 359 O VAL A 21 -3.867 7.842 -0.227 1.00 0.00 O ATOM 360 CB VAL A 21 -4.592 5.036 -0.677 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.420 4.626 -1.883 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.329 3.767 0.160 1.00 0.00 C ATOM 0 H VAL A 21 -2.482 5.505 0.771 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.029 5.404 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.104 5.755 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.335 4.137 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.674 5.510 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.846 3.936 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.279 3.337 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.785 3.040 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.737 4.026 1.038 1.00 0.00 H new ATOM 372 N THR A 22 -3.330 7.852 -2.348 1.00 0.00 N ATOM 373 CA THR A 22 -3.549 9.327 -2.436 1.00 0.00 C ATOM 374 C THR A 22 -4.231 9.683 -3.758 1.00 0.00 C ATOM 375 O THR A 22 -4.589 8.821 -4.536 1.00 0.00 O ATOM 376 CB THR A 22 -2.158 9.973 -2.350 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.247 11.327 -2.770 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.164 9.229 -3.250 1.00 0.00 C ATOM 0 H THR A 22 -3.036 7.402 -3.215 1.00 0.00 H new ATOM 0 HA THR A 22 -4.197 9.684 -1.635 1.00 0.00 H new ATOM 0 HB THR A 22 -1.807 9.921 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.362 11.745 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.184 9.700 -3.177 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.092 8.189 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.509 9.268 -4.283 1.00 0.00 H new ATOM 543 N TYR A 32 -2.321 11.686 1.298 1.00 0.00 N ATOM 544 CA TYR A 32 -2.978 10.380 0.978 1.00 0.00 C ATOM 545 C TYR A 32 -4.197 10.159 1.874 1.00 0.00 C ATOM 546 O TYR A 32 -4.450 10.905 2.799 1.00 0.00 O ATOM 547 CB TYR A 32 -1.929 9.281 1.230 1.00 0.00 C ATOM 548 CG TYR A 32 -1.158 9.555 2.505 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.776 9.391 3.751 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.175 9.978 2.437 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.059 9.649 4.927 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.891 10.234 3.610 1.00 0.00 C ATOM 553 CZ TYR A 32 0.275 10.071 4.856 1.00 0.00 C ATOM 554 OH TYR A 32 0.981 10.326 6.014 1.00 0.00 O ATOM 0 HA TYR A 32 -3.324 10.364 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.421 8.311 1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.240 9.230 0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.804 9.066 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.651 10.107 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.535 9.523 5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.920 10.558 3.555 1.00 0.00 H new ATOM 0 HH TYR A 32 1.892 10.608 5.787 1.00 0.00 H new ATOM 564 N ILE A 33 -4.952 9.131 1.604 1.00 0.00 N ATOM 565 CA ILE A 33 -6.155 8.842 2.431 1.00 0.00 C ATOM 566 C ILE A 33 -5.737 8.051 3.670 1.00 0.00 C ATOM 567 O ILE A 33 -5.901 8.488 4.791 1.00 0.00 O ATOM 568 CB ILE A 33 -7.070 7.979 1.550 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.178 8.566 0.134 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.462 7.925 2.178 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.642 10.020 0.212 1.00 0.00 C ATOM 0 H ILE A 33 -4.786 8.475 0.841 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.655 9.753 2.759 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.645 6.978 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.212 8.509 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.881 7.981 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.118 7.314 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.395 7.489 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.868 8.934 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.717 10.432 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.617 10.065 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.923 10.601 0.789 1.00 0.00 H new ATOM 583 N GLU A 34 -5.192 6.885 3.461 1.00 0.00 N ATOM 584 CA GLU A 34 -4.748 6.041 4.604 1.00 0.00 C ATOM 585 C GLU A 34 -3.576 5.159 4.166 1.00 0.00 C ATOM 586 O GLU A 34 -3.361 4.939 2.990 1.00 0.00 O ATOM 587 CB GLU A 34 -5.964 5.187 4.962 1.00 0.00 C ATOM 588 CG GLU A 34 -6.844 5.948 5.954 1.00 0.00 C ATOM 589 CD GLU A 34 -8.046 5.085 6.343 1.00 0.00 C ATOM 590 OE1 GLU A 34 -7.907 3.874 6.340 1.00 0.00 O ATOM 591 OE2 GLU A 34 -9.085 5.652 6.639 1.00 0.00 O ATOM 0 H GLU A 34 -5.034 6.478 2.539 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.407 6.631 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.532 4.949 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.642 4.240 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.268 6.207 6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.184 6.884 5.510 1.00 0.00 H new ATOM 598 N LYS A 35 -2.817 4.654 5.097 1.00 0.00 N ATOM 599 CA LYS A 35 -1.660 3.787 4.725 1.00 0.00 C ATOM 600 C LYS A 35 -2.098 2.324 4.652 1.00 0.00 C ATOM 601 O LYS A 35 -2.405 1.709 5.653 1.00 0.00 O ATOM 602 CB LYS A 35 -0.629 3.989 5.839 1.00 0.00 C ATOM 603 CG LYS A 35 -1.256 3.659 7.197 1.00 0.00 C ATOM 604 CD LYS A 35 -1.196 4.895 8.098 1.00 0.00 C ATOM 605 CE LYS A 35 -2.093 4.686 9.319 1.00 0.00 C ATOM 606 NZ LYS A 35 -3.439 5.149 8.887 1.00 0.00 N ATOM 0 H LYS A 35 -2.945 4.802 6.098 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.252 4.044 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.237 3.351 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.273 5.019 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.290 3.341 7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.725 2.829 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.169 5.076 8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.518 5.777 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.113 3.639 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.734 5.257 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.113 5.038 9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.390 6.151 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.757 4.583 8.075 1.00 0.00 H new ATOM 620 N ILE A 36 -2.134 1.758 3.475 1.00 0.00 N ATOM 621 CA ILE A 36 -2.562 0.329 3.362 1.00 0.00 C ATOM 622 C ILE A 36 -1.372 -0.580 3.117 1.00 0.00 C ATOM 623 O ILE A 36 -1.356 -1.717 3.548 1.00 0.00 O ATOM 624 CB ILE A 36 -3.543 0.276 2.191 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.856 0.722 0.890 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.720 1.203 2.492 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.264 -0.488 0.171 1.00 0.00 C ATOM 0 H ILE A 36 -1.889 2.214 2.596 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.026 -0.019 4.285 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.893 -0.748 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.575 1.224 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.070 1.443 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.427 1.174 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.217 0.875 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.356 2.222 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.779 -0.163 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.530 -0.972 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.059 -1.194 -0.068 1.00 0.00 H new ATOM 639 N GLY A 37 -0.381 -0.106 2.432 1.00 0.00 N ATOM 640 CA GLY A 37 0.786 -0.972 2.176 1.00 0.00 C ATOM 641 C GLY A 37 2.061 -0.340 2.714 1.00 0.00 C ATOM 642 O GLY A 37 2.143 0.851 2.939 1.00 0.00 O ATOM 0 H GLY A 37 -0.329 0.835 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.632 -1.944 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.886 -1.146 1.105 1.00 0.00 H new ATOM 646 N TYR A 38 3.072 -1.140 2.865 1.00 0.00 N ATOM 647 CA TYR A 38 4.395 -0.636 3.325 1.00 0.00 C ATOM 648 C TYR A 38 5.452 -1.263 2.419 1.00 0.00 C ATOM 649 O TYR A 38 5.327 -2.412 2.038 1.00 0.00 O ATOM 650 CB TYR A 38 4.550 -1.125 4.766 1.00 0.00 C ATOM 651 CG TYR A 38 5.946 -0.811 5.251 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.987 -1.723 5.034 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.202 0.394 5.916 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.281 -1.429 5.481 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.496 0.687 6.363 1.00 0.00 C ATOM 656 CZ TYR A 38 8.535 -0.224 6.146 1.00 0.00 C ATOM 657 OH TYR A 38 9.810 0.066 6.587 1.00 0.00 O ATOM 0 H TYR A 38 3.039 -2.144 2.686 1.00 0.00 H new ATOM 0 HA TYR A 38 4.492 0.449 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.812 -0.643 5.407 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.366 -2.198 4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.791 -2.653 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.401 1.098 6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.083 -2.132 5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.692 1.617 6.876 1.00 0.00 H new ATOM 0 HH TYR A 38 9.813 0.942 7.027 1.00 0.00 H new ATOM 667 N TYR A 39 6.479 -0.546 2.046 1.00 0.00 N ATOM 668 CA TYR A 39 7.484 -1.176 1.146 1.00 0.00 C ATOM 669 C TYR A 39 8.907 -0.735 1.503 1.00 0.00 C ATOM 670 O TYR A 39 9.190 0.437 1.644 1.00 0.00 O ATOM 671 CB TYR A 39 7.118 -0.714 -0.269 1.00 0.00 C ATOM 672 CG TYR A 39 8.143 -1.229 -1.265 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.831 -2.431 -1.029 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.407 -0.497 -2.427 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.777 -2.891 -1.951 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.352 -0.961 -3.348 1.00 0.00 C ATOM 677 CZ TYR A 39 10.037 -2.157 -3.111 1.00 0.00 C ATOM 678 OH TYR A 39 10.970 -2.611 -4.023 1.00 0.00 O ATOM 0 H TYR A 39 6.662 0.420 2.317 1.00 0.00 H new ATOM 0 HA TYR A 39 7.468 -2.262 1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.126 -1.079 -0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.078 0.375 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.629 -3.001 -0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.881 0.427 -2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.307 -3.814 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.553 -0.394 -4.245 1.00 0.00 H new ATOM 0 HH TYR A 39 11.027 -1.982 -4.773 1.00 0.00 H new ATOM 688 N ASP A 40 9.808 -1.673 1.633 1.00 0.00 N ATOM 689 CA ASP A 40 11.219 -1.320 1.963 1.00 0.00 C ATOM 690 C ASP A 40 12.170 -2.057 1.009 1.00 0.00 C ATOM 691 O ASP A 40 12.517 -3.195 1.246 1.00 0.00 O ATOM 692 CB ASP A 40 11.427 -1.800 3.400 1.00 0.00 C ATOM 693 CG ASP A 40 12.737 -1.227 3.944 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.579 -0.860 3.141 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.877 -1.163 5.155 1.00 0.00 O ATOM 0 H ASP A 40 9.626 -2.671 1.524 1.00 0.00 H new ATOM 0 HA ASP A 40 11.416 -0.253 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.592 -1.484 4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.453 -2.889 3.431 1.00 0.00 H new ATOM 838 N LEU A 49 8.063 -6.736 1.857 1.00 0.00 N ATOM 839 CA LEU A 49 6.760 -6.047 1.637 1.00 0.00 C ATOM 840 C LEU A 49 5.752 -6.399 2.733 1.00 0.00 C ATOM 841 O LEU A 49 5.557 -7.550 3.071 1.00 0.00 O ATOM 842 CB LEU A 49 6.270 -6.550 0.281 1.00 0.00 C ATOM 843 CG LEU A 49 5.334 -5.512 -0.335 1.00 0.00 C ATOM 844 CD1 LEU A 49 6.111 -4.229 -0.630 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.746 -6.069 -1.633 1.00 0.00 C ATOM 0 HA LEU A 49 6.872 -4.963 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.117 -6.730 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.750 -7.501 0.399 1.00 0.00 H new ATOM 0 HG LEU A 49 4.528 -5.288 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.440 -3.490 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.528 -3.835 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.920 -4.446 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.077 -5.331 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.553 -6.293 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.189 -6.981 -1.418 1.00 0.00 H new ATOM 857 N LYS A 50 5.101 -5.407 3.275 1.00 0.00 N ATOM 858 CA LYS A 50 4.086 -5.661 4.338 1.00 0.00 C ATOM 859 C LYS A 50 2.821 -4.861 4.026 1.00 0.00 C ATOM 860 O LYS A 50 2.719 -3.695 4.354 1.00 0.00 O ATOM 861 CB LYS A 50 4.729 -5.167 5.635 1.00 0.00 C ATOM 862 CG LYS A 50 3.712 -5.263 6.776 1.00 0.00 C ATOM 863 CD LYS A 50 4.290 -4.606 8.033 1.00 0.00 C ATOM 864 CE LYS A 50 3.174 -4.396 9.060 1.00 0.00 C ATOM 865 NZ LYS A 50 2.705 -2.999 8.840 1.00 0.00 N ATOM 0 H LYS A 50 5.229 -4.426 3.026 1.00 0.00 H new ATOM 0 HA LYS A 50 3.803 -6.711 4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.610 -5.765 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.065 -4.137 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.782 -4.771 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.472 -6.307 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.074 -5.234 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.749 -3.651 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.365 -5.111 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.542 -4.533 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.939 -2.781 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.495 -2.340 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.354 -2.900 7.866 1.00 0.00 H new ATOM 879 N VAL A 51 1.861 -5.464 3.379 1.00 0.00 N ATOM 880 CA VAL A 51 0.620 -4.711 3.037 1.00 0.00 C ATOM 881 C VAL A 51 -0.607 -5.333 3.698 1.00 0.00 C ATOM 882 O VAL A 51 -0.794 -6.534 3.699 1.00 0.00 O ATOM 883 CB VAL A 51 0.518 -4.793 1.493 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.945 -4.869 1.019 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.136 -3.547 0.879 1.00 0.00 C ATOM 0 H VAL A 51 1.881 -6.437 3.074 1.00 0.00 H new ATOM 0 HA VAL A 51 0.660 -3.682 3.393 1.00 0.00 H new ATOM 0 HB VAL A 51 1.042 -5.696 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.972 -4.925 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.418 -5.756 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.481 -3.980 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.065 -3.603 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.603 -2.664 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.184 -3.479 1.171 1.00 0.00 H new ATOM 895 N ASP A 52 -1.480 -4.505 4.185 1.00 0.00 N ATOM 896 CA ASP A 52 -2.742 -5.018 4.759 1.00 0.00 C ATOM 897 C ASP A 52 -3.700 -5.183 3.585 1.00 0.00 C ATOM 898 O ASP A 52 -4.588 -4.377 3.391 1.00 0.00 O ATOM 899 CB ASP A 52 -3.226 -3.928 5.715 1.00 0.00 C ATOM 900 CG ASP A 52 -3.965 -4.569 6.890 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.149 -4.828 6.750 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.335 -4.790 7.911 1.00 0.00 O ATOM 0 H ASP A 52 -1.371 -3.491 4.209 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.651 -5.966 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.379 -3.346 6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.886 -3.237 5.191 1.00 0.00 H new ATOM 907 N VAL A 53 -3.469 -6.188 2.765 1.00 0.00 N ATOM 908 CA VAL A 53 -4.312 -6.406 1.537 1.00 0.00 C ATOM 909 C VAL A 53 -5.782 -6.031 1.781 1.00 0.00 C ATOM 910 O VAL A 53 -6.457 -5.587 0.877 1.00 0.00 O ATOM 911 CB VAL A 53 -4.123 -7.895 1.106 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.831 -8.804 2.301 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.373 -8.420 0.381 1.00 0.00 C ATOM 0 H VAL A 53 -2.725 -6.873 2.896 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.992 -5.751 0.727 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.267 -7.915 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.707 -9.830 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.917 -8.474 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.661 -8.756 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.216 -9.459 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.234 -8.355 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.557 -7.819 -0.509 1.00 0.00 H new ATOM 923 N GLU A 54 -6.281 -6.164 2.978 1.00 0.00 N ATOM 924 CA GLU A 54 -7.691 -5.762 3.212 1.00 0.00 C ATOM 925 C GLU A 54 -7.827 -4.264 2.940 1.00 0.00 C ATOM 926 O GLU A 54 -8.704 -3.828 2.220 1.00 0.00 O ATOM 927 CB GLU A 54 -7.978 -6.083 4.680 1.00 0.00 C ATOM 928 CG GLU A 54 -9.490 -6.131 4.903 1.00 0.00 C ATOM 929 CD GLU A 54 -9.976 -4.771 5.408 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.794 -3.797 4.697 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.525 -4.729 6.497 1.00 0.00 O ATOM 0 H GLU A 54 -5.782 -6.527 3.790 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.393 -6.283 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.529 -7.039 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.528 -5.327 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.997 -6.388 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.737 -6.908 5.626 1.00 0.00 H new ATOM 938 N ARG A 55 -6.947 -3.480 3.489 1.00 0.00 N ATOM 939 CA ARG A 55 -6.996 -2.014 3.247 1.00 0.00 C ATOM 940 C ARG A 55 -6.453 -1.719 1.848 1.00 0.00 C ATOM 941 O ARG A 55 -6.944 -0.859 1.141 1.00 0.00 O ATOM 942 CB ARG A 55 -6.095 -1.405 4.320 1.00 0.00 C ATOM 943 CG ARG A 55 -6.956 -0.803 5.430 1.00 0.00 C ATOM 944 CD ARG A 55 -7.459 0.575 4.994 1.00 0.00 C ATOM 945 NE ARG A 55 -8.770 0.311 4.335 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.839 0.043 5.048 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.783 -0.006 6.357 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.973 -0.181 4.445 1.00 0.00 N ATOM 0 H ARG A 55 -6.191 -3.793 4.099 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.006 -1.607 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.435 -2.169 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.459 -0.636 3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.800 -1.458 5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.376 -0.716 6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.573 1.243 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.760 1.052 4.307 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.837 0.339 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.899 0.166 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.623 -0.216 6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.025 -0.147 3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.809 -0.390 4.991 1.00 0.00 H new ATOM 962 N ALA A 56 -5.458 -2.450 1.429 1.00 0.00 N ATOM 963 CA ALA A 56 -4.901 -2.242 0.073 1.00 0.00 C ATOM 964 C ALA A 56 -5.935 -2.713 -0.950 1.00 0.00 C ATOM 965 O ALA A 56 -5.916 -2.311 -2.097 1.00 0.00 O ATOM 966 CB ALA A 56 -3.629 -3.092 0.037 1.00 0.00 C ATOM 0 H ALA A 56 -5.008 -3.185 1.974 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.672 -1.202 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.153 -2.994 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.942 -2.752 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.885 -4.137 0.212 1.00 0.00 H new ATOM 972 N ARG A 57 -6.862 -3.546 -0.534 1.00 0.00 N ATOM 973 CA ARG A 57 -7.911 -4.012 -1.471 1.00 0.00 C ATOM 974 C ARG A 57 -9.068 -3.007 -1.469 1.00 0.00 C ATOM 975 O ARG A 57 -9.814 -2.899 -2.422 1.00 0.00 O ATOM 976 CB ARG A 57 -8.374 -5.369 -0.940 1.00 0.00 C ATOM 977 CG ARG A 57 -9.502 -5.907 -1.822 1.00 0.00 C ATOM 978 CD ARG A 57 -10.612 -6.485 -0.940 1.00 0.00 C ATOM 979 NE ARG A 57 -11.667 -5.432 -0.907 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.693 -5.529 -0.094 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.823 -6.558 0.707 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.595 -4.587 -0.086 1.00 0.00 N ATOM 0 H ARG A 57 -6.929 -3.917 0.414 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.546 -4.098 -2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.540 -6.071 -0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.719 -5.270 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.900 -5.109 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.118 -6.676 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.998 -7.417 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.245 -6.707 0.062 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.590 -4.624 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.121 -7.298 0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.626 -6.619 1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.499 -3.784 -0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.396 -4.653 0.542 1.00 0.00 H new ATOM 996 N TYR A 58 -9.195 -2.250 -0.410 1.00 0.00 N ATOM 997 CA TYR A 58 -10.267 -1.223 -0.335 1.00 0.00 C ATOM 998 C TYR A 58 -10.025 -0.233 -1.446 1.00 0.00 C ATOM 999 O TYR A 58 -10.910 0.187 -2.165 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.042 -0.546 1.016 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.865 0.722 1.137 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.158 0.774 0.606 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.329 1.846 1.784 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.918 1.943 0.721 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.090 3.015 1.902 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.386 3.065 1.370 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.139 4.217 1.486 1.00 0.00 O ATOM 0 H TYR A 58 -8.594 -2.303 0.412 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.276 -1.624 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.308 -1.233 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.985 -0.309 1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.570 -0.090 0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.329 1.809 2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.916 1.981 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.678 3.879 2.403 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.622 4.899 1.964 1.00 0.00 H new ATOM 1017 N TRP A 59 -8.798 0.143 -1.555 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.397 1.122 -2.580 1.00 0.00 C ATOM 1019 C TRP A 59 -8.534 0.511 -3.960 1.00 0.00 C ATOM 1020 O TRP A 59 -9.275 0.994 -4.793 1.00 0.00 O ATOM 1021 CB TRP A 59 -6.966 1.468 -2.201 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.082 2.155 -0.891 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.540 1.761 0.279 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -7.881 3.317 -0.608 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -6.941 2.648 1.268 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.772 3.631 0.761 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.672 4.130 -1.423 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.442 4.725 1.308 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.348 5.226 -0.884 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.235 5.527 0.478 1.00 0.00 C ATOM 0 H TRP A 59 -8.038 -0.194 -0.964 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.015 2.019 -2.617 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.348 0.573 -2.126 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.503 2.113 -2.948 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.902 0.901 0.422 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.659 2.583 2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.761 3.909 -2.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.350 4.951 2.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.962 5.845 -1.522 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.759 6.377 0.889 1.00 0.00 H new ATOM 1041 N LEU A 60 -7.875 -0.576 -4.197 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.024 -1.244 -5.514 1.00 0.00 C ATOM 1043 C LEU A 60 -9.512 -1.539 -5.751 1.00 0.00 C ATOM 1044 O LEU A 60 -9.950 -1.723 -6.869 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.220 -2.539 -5.402 1.00 0.00 C ATOM 1046 CG LEU A 60 -5.772 -2.280 -5.821 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -4.882 -3.422 -5.325 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.693 -2.199 -7.348 1.00 0.00 C ATOM 0 H LEU A 60 -7.241 -1.033 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.670 -0.636 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.252 -2.912 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.661 -3.309 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.430 -1.341 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.851 -3.236 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.939 -3.482 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.222 -4.363 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.662 -2.014 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.035 -3.139 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.326 -1.385 -7.702 1.00 0.00 H new ATOM 1060 N SER A 61 -10.294 -1.577 -4.695 1.00 0.00 N ATOM 1061 CA SER A 61 -11.748 -1.850 -4.848 1.00 0.00 C ATOM 1062 C SER A 61 -12.494 -0.580 -5.284 1.00 0.00 C ATOM 1063 O SER A 61 -13.562 -0.652 -5.859 1.00 0.00 O ATOM 1064 CB SER A 61 -12.220 -2.301 -3.466 1.00 0.00 C ATOM 1065 OG SER A 61 -13.606 -2.019 -3.327 1.00 0.00 O ATOM 0 H SER A 61 -9.981 -1.430 -3.736 1.00 0.00 H new ATOM 0 HA SER A 61 -11.941 -2.604 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.040 -3.368 -3.338 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.653 -1.787 -2.690 1.00 0.00 H new ATOM 0 HG SER A 61 -13.912 -2.309 -2.442 1.00 0.00 H new ATOM 1071 N VAL A 62 -11.947 0.581 -5.021 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.639 1.829 -5.431 1.00 0.00 C ATOM 1073 C VAL A 62 -12.036 2.345 -6.736 1.00 0.00 C ATOM 1074 O VAL A 62 -11.979 3.531 -6.988 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.408 2.835 -4.296 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.894 2.255 -2.966 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -10.918 3.163 -4.176 1.00 0.00 C ATOM 0 H VAL A 62 -11.056 0.713 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.704 1.668 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.967 3.742 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.724 2.979 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.959 2.033 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.346 1.339 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.767 3.878 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.361 2.251 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.564 3.594 -5.112 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.588 1.449 -7.562 1.00 0.00 N ATOM 1088 CA GLY A 63 -10.983 1.857 -8.859 1.00 0.00 C ATOM 1089 C GLY A 63 -9.632 2.533 -8.614 1.00 0.00 C ATOM 1090 O GLY A 63 -9.179 3.334 -9.408 1.00 0.00 O ATOM 0 H GLY A 63 -11.614 0.443 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.852 0.985 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.651 2.540 -9.383 1.00 0.00 H new ATOM 1094 N ALA A 64 -8.978 2.222 -7.525 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.659 2.856 -7.252 1.00 0.00 C ATOM 1096 C ALA A 64 -6.629 2.396 -8.285 1.00 0.00 C ATOM 1097 O ALA A 64 -6.532 1.226 -8.600 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.263 2.381 -5.855 1.00 0.00 C ATOM 0 H ALA A 64 -9.300 1.560 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.708 3.943 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.298 2.809 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.016 2.701 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.192 1.293 -5.847 1.00 0.00 H new ATOM 1104 N GLN A 65 -5.858 3.304 -8.813 1.00 0.00 N ATOM 1105 CA GLN A 65 -4.834 2.915 -9.822 1.00 0.00 C ATOM 1106 C GLN A 65 -3.455 2.814 -9.156 1.00 0.00 C ATOM 1107 O GLN A 65 -2.868 3.817 -8.803 1.00 0.00 O ATOM 1108 CB GLN A 65 -4.851 4.038 -10.859 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.524 3.539 -12.140 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.666 4.697 -13.131 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -4.683 5.245 -13.588 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.858 5.094 -13.482 1.00 0.00 N ATOM 0 H GLN A 65 -5.892 4.299 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.042 1.945 -10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.387 4.902 -10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.834 4.365 -11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.934 2.737 -12.584 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.504 3.123 -11.909 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.683 4.633 -13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.965 5.865 -14.141 1.00 0.00 H new ATOM 1121 N PRO A 66 -2.978 1.603 -8.996 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.658 1.394 -8.366 1.00 0.00 C ATOM 1123 C PRO A 66 -0.543 1.583 -9.398 1.00 0.00 C ATOM 1124 O PRO A 66 -0.617 1.082 -10.502 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.716 -0.054 -7.894 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.712 -0.730 -8.788 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.611 0.333 -9.374 1.00 0.00 C ATOM 0 HA PRO A 66 -1.450 2.095 -7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.738 -0.529 -7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.023 -0.114 -6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.202 -1.277 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.298 -1.456 -8.225 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.687 0.235 -10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.623 0.260 -8.975 1.00 0.00 H new ATOM 1135 N THR A 67 0.490 2.299 -9.051 1.00 0.00 N ATOM 1136 CA THR A 67 1.601 2.513 -10.020 1.00 0.00 C ATOM 1137 C THR A 67 2.120 1.164 -10.530 1.00 0.00 C ATOM 1138 O THR A 67 1.867 0.129 -9.947 1.00 0.00 O ATOM 1139 CB THR A 67 2.688 3.242 -9.228 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.667 2.802 -7.877 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.435 4.750 -9.280 1.00 0.00 C ATOM 0 H THR A 67 0.613 2.744 -8.141 1.00 0.00 H new ATOM 0 HA THR A 67 1.284 3.084 -10.892 1.00 0.00 H new ATOM 0 HB THR A 67 3.663 3.024 -9.665 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.441 3.169 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.210 5.269 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.454 5.087 -10.317 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.460 4.971 -8.845 1.00 0.00 H new ATOM 1149 N ASP A 68 2.846 1.170 -11.615 1.00 0.00 N ATOM 1150 CA ASP A 68 3.384 -0.110 -12.165 1.00 0.00 C ATOM 1151 C ASP A 68 4.275 -0.811 -11.134 1.00 0.00 C ATOM 1152 O ASP A 68 4.571 -1.984 -11.250 1.00 0.00 O ATOM 1153 CB ASP A 68 4.206 0.303 -13.386 1.00 0.00 C ATOM 1154 CG ASP A 68 3.299 1.004 -14.399 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.264 0.446 -14.723 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.655 2.088 -14.834 1.00 0.00 O ATOM 0 H ASP A 68 3.091 2.006 -12.146 1.00 0.00 H new ATOM 0 HA ASP A 68 2.589 -0.811 -12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.015 0.969 -13.085 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.667 -0.574 -13.841 1.00 0.00 H new ATOM 1161 N THR A 69 4.709 -0.099 -10.133 1.00 0.00 N ATOM 1162 CA THR A 69 5.588 -0.711 -9.098 1.00 0.00 C ATOM 1163 C THR A 69 4.777 -1.085 -7.860 1.00 0.00 C ATOM 1164 O THR A 69 4.886 -2.176 -7.341 1.00 0.00 O ATOM 1165 CB THR A 69 6.565 0.390 -8.747 1.00 0.00 C ATOM 1166 OG1 THR A 69 7.232 0.828 -9.923 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.586 -0.111 -7.723 1.00 0.00 C ATOM 0 H THR A 69 4.492 0.887 -9.986 1.00 0.00 H new ATOM 0 HA THR A 69 6.073 -1.621 -9.452 1.00 0.00 H new ATOM 0 HB THR A 69 6.016 1.225 -8.311 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.863 1.542 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.282 0.692 -7.480 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.068 -0.428 -6.818 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.136 -0.954 -8.140 1.00 0.00 H new ATOM 1175 N ALA A 70 3.963 -0.183 -7.384 1.00 0.00 N ATOM 1176 CA ALA A 70 3.150 -0.482 -6.183 1.00 0.00 C ATOM 1177 C ALA A 70 2.101 -1.512 -6.547 1.00 0.00 C ATOM 1178 O ALA A 70 1.691 -2.312 -5.731 1.00 0.00 O ATOM 1179 CB ALA A 70 2.501 0.844 -5.792 1.00 0.00 C ATOM 0 H ALA A 70 3.829 0.748 -7.779 1.00 0.00 H new ATOM 0 HA ALA A 70 3.739 -0.886 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.882 0.699 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.276 1.579 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.881 1.202 -6.614 1.00 0.00 H new ATOM 1185 N ARG A 71 1.687 -1.523 -7.782 1.00 0.00 N ATOM 1186 CA ARG A 71 0.698 -2.527 -8.194 1.00 0.00 C ATOM 1187 C ARG A 71 1.376 -3.878 -8.097 1.00 0.00 C ATOM 1188 O ARG A 71 0.795 -4.856 -7.670 1.00 0.00 O ATOM 1189 CB ARG A 71 0.337 -2.196 -9.643 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.662 -3.234 -10.162 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.209 -2.786 -11.520 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.192 -3.238 -12.513 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.023 -4.513 -12.771 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.754 -5.424 -12.176 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.883 -4.879 -13.637 1.00 0.00 N ATOM 0 H ARG A 71 1.994 -0.880 -8.512 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.203 -2.535 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.094 -1.197 -9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.234 -2.195 -10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.176 -4.205 -10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.479 -3.354 -9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.183 -3.233 -11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.342 -1.705 -11.555 1.00 0.00 H new ATOM 0 HE ARG A 71 0.380 -2.546 -12.998 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.467 -5.145 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.610 -6.411 -12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.453 -4.176 -14.107 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.021 -5.868 -13.843 1.00 0.00 H new ATOM 1209 N ARG A 72 2.629 -3.927 -8.466 1.00 0.00 N ATOM 1210 CA ARG A 72 3.365 -5.203 -8.378 1.00 0.00 C ATOM 1211 C ARG A 72 3.491 -5.612 -6.914 1.00 0.00 C ATOM 1212 O ARG A 72 3.598 -6.777 -6.586 1.00 0.00 O ATOM 1213 CB ARG A 72 4.736 -4.914 -8.981 1.00 0.00 C ATOM 1214 CG ARG A 72 5.051 -5.976 -10.029 1.00 0.00 C ATOM 1215 CD ARG A 72 6.555 -5.985 -10.314 1.00 0.00 C ATOM 1216 NE ARG A 72 6.668 -6.307 -11.766 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.416 -5.398 -12.679 1.00 0.00 C ATOM 1218 NH1 ARG A 72 6.049 -4.188 -12.340 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.532 -5.706 -13.942 1.00 0.00 N ATOM 0 H ARG A 72 3.166 -3.136 -8.822 1.00 0.00 H new ATOM 0 HA ARG A 72 2.865 -6.018 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.747 -3.923 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.498 -4.916 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.732 -6.956 -9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.498 -5.772 -10.946 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.006 -5.019 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.068 -6.728 -9.703 1.00 0.00 H new ATOM 0 HE ARG A 72 6.945 -7.246 -12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.955 -3.941 -11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.857 -3.493 -13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.817 -6.647 -14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.338 -5.006 -14.658 1.00 0.00 H new ATOM 1233 N LEU A 73 3.472 -4.653 -6.031 1.00 0.00 N ATOM 1234 CA LEU A 73 3.582 -4.963 -4.593 1.00 0.00 C ATOM 1235 C LEU A 73 2.189 -5.222 -4.031 1.00 0.00 C ATOM 1236 O LEU A 73 2.017 -6.000 -3.113 1.00 0.00 O ATOM 1237 CB LEU A 73 4.225 -3.729 -3.951 1.00 0.00 C ATOM 1238 CG LEU A 73 5.527 -3.387 -4.685 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.882 -1.920 -4.438 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.664 -4.275 -4.174 1.00 0.00 C ATOM 0 H LEU A 73 3.384 -3.661 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 73 4.180 -5.852 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.538 -2.884 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.429 -3.919 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 73 5.389 -3.558 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.808 -1.677 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.078 -1.284 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.013 -1.752 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.585 -4.026 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.801 -4.111 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.416 -5.321 -4.352 1.00 0.00 H new ATOM 1252 N LEU A 74 1.180 -4.613 -4.601 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.193 -4.881 -4.113 1.00 0.00 C ATOM 1254 C LEU A 74 -0.535 -6.318 -4.490 1.00 0.00 C ATOM 1255 O LEU A 74 -1.297 -6.991 -3.825 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.108 -3.890 -4.833 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.953 -2.509 -4.204 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.874 -1.518 -4.916 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.327 -2.578 -2.722 1.00 0.00 C ATOM 0 H LEU A 74 1.252 -3.951 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.300 -4.764 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.856 -3.849 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.145 -4.219 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 74 0.081 -2.179 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.763 -0.531 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.608 -1.468 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.908 -1.847 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.216 -1.591 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.361 -2.908 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.670 -3.284 -2.214 1.00 0.00 H new ATOM 1271 N ARG A 75 0.059 -6.797 -5.554 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.181 -8.191 -5.985 1.00 0.00 C ATOM 1273 C ARG A 75 0.717 -9.109 -5.174 1.00 0.00 C ATOM 1274 O ARG A 75 0.395 -10.251 -4.915 1.00 0.00 O ATOM 1275 CB ARG A 75 0.198 -8.232 -7.464 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.976 -8.791 -8.265 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.455 -9.651 -9.418 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.613 -11.058 -8.944 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.055 -12.054 -9.591 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.646 -11.844 -10.678 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.201 -13.272 -9.146 1.00 0.00 N ATOM 0 H ARG A 75 0.705 -6.270 -6.142 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.212 -8.512 -5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.451 -7.232 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.082 -8.853 -7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.619 -9.386 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.584 -7.974 -8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.023 -9.475 -10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.587 -9.423 -9.642 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.162 -11.248 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.764 -10.895 -11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.073 -12.629 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.746 -13.444 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.230 -14.052 -9.643 1.00 0.00 H new ATOM 1295 N GLN A 76 1.841 -8.604 -4.755 1.00 0.00 N ATOM 1296 CA GLN A 76 2.757 -9.424 -3.949 1.00 0.00 C ATOM 1297 C GLN A 76 2.176 -9.589 -2.562 1.00 0.00 C ATOM 1298 O GLN A 76 2.307 -10.615 -1.924 1.00 0.00 O ATOM 1299 CB GLN A 76 4.049 -8.625 -3.923 1.00 0.00 C ATOM 1300 CG GLN A 76 5.207 -9.523 -3.496 1.00 0.00 C ATOM 1301 CD GLN A 76 5.404 -10.632 -4.533 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.603 -11.778 -4.183 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.359 -10.337 -5.803 1.00 0.00 N ATOM 0 H GLN A 76 2.158 -7.653 -4.942 1.00 0.00 H new ATOM 0 HA GLN A 76 2.918 -10.426 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.247 -8.206 -4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.954 -7.786 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.120 -8.935 -3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.002 -9.958 -2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.192 -9.375 -6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.491 -11.069 -6.501 1.00 0.00 H new ATOM 1312 N ALA A 77 1.506 -8.584 -2.112 1.00 0.00 N ATOM 1313 CA ALA A 77 0.867 -8.652 -0.779 1.00 0.00 C ATOM 1314 C ALA A 77 -0.304 -9.646 -0.810 1.00 0.00 C ATOM 1315 O ALA A 77 -0.867 -9.986 0.211 1.00 0.00 O ATOM 1316 CB ALA A 77 0.360 -7.238 -0.512 1.00 0.00 C ATOM 0 H ALA A 77 1.369 -7.706 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 77 1.555 -8.990 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.129 -7.205 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.199 -6.543 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.353 -6.955 -1.286 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.677 -10.108 -1.977 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.811 -11.071 -2.076 1.00 0.00 C ATOM 1324 C GLY A 78 -3.131 -10.300 -2.123 1.00 0.00 C ATOM 1325 O GLY A 78 -4.031 -10.546 -1.345 1.00 0.00 O ATOM 0 H GLY A 78 -0.243 -9.858 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.704 -11.685 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.803 -11.748 -1.222 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.253 -9.357 -3.022 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.508 -8.565 -3.102 1.00 0.00 C ATOM 1331 C VAL A 79 -5.248 -8.806 -4.424 1.00 0.00 C ATOM 1332 O VAL A 79 -6.343 -8.319 -4.622 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.066 -7.110 -3.026 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.301 -6.207 -2.996 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.235 -6.877 -1.763 1.00 0.00 C ATOM 0 H VAL A 79 -2.536 -9.104 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.195 -8.845 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.457 -6.876 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.988 -5.164 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.888 -6.363 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.908 -6.450 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.924 -5.833 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.834 -7.114 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.353 -7.517 -1.784 1.00 0.00 H new