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 -104:sc= 1.2 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=-0.00106 K(o=-0.0011,f=-2.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 76 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.337 8.563 -6.784 1.00 0.00 N ATOM 21 CA VAL A 2 -7.572 7.859 -5.715 1.00 0.00 C ATOM 22 C VAL A 2 -6.549 6.909 -6.343 1.00 0.00 C ATOM 23 O VAL A 2 -6.876 6.108 -7.195 1.00 0.00 O ATOM 24 CB VAL A 2 -8.619 7.074 -4.928 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.946 6.354 -3.758 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.681 8.037 -4.389 1.00 0.00 C ATOM 0 HA VAL A 2 -7.019 8.549 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.090 6.341 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.694 5.794 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.190 5.668 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.474 7.086 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.428 7.477 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.209 8.770 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.162 8.551 -5.221 1.00 0.00 H new ATOM 36 N LYS A 3 -5.310 6.994 -5.937 1.00 0.00 N ATOM 37 CA LYS A 3 -4.274 6.095 -6.524 1.00 0.00 C ATOM 38 C LYS A 3 -3.306 5.610 -5.440 1.00 0.00 C ATOM 39 O LYS A 3 -2.889 6.367 -4.587 1.00 0.00 O ATOM 40 CB LYS A 3 -3.534 6.958 -7.545 1.00 0.00 C ATOM 41 CG LYS A 3 -4.532 7.547 -8.543 1.00 0.00 C ATOM 42 CD LYS A 3 -3.772 8.250 -9.668 1.00 0.00 C ATOM 43 CE LYS A 3 -4.010 7.509 -10.986 1.00 0.00 C ATOM 44 NZ LYS A 3 -3.712 8.512 -12.046 1.00 0.00 N ATOM 0 H LYS A 3 -4.972 7.644 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.715 5.206 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.997 7.759 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.790 6.359 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.162 6.757 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.193 8.253 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.105 9.284 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.706 8.276 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.361 6.637 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.037 7.150 -11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.852 8.080 -12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.350 9.327 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.726 8.830 -11.956 1.00 0.00 H new ATOM 58 N ILE A 4 -2.934 4.359 -5.477 1.00 0.00 N ATOM 59 CA ILE A 4 -1.982 3.840 -4.460 1.00 0.00 C ATOM 60 C ILE A 4 -0.592 3.709 -5.087 1.00 0.00 C ATOM 61 O ILE A 4 -0.435 3.167 -6.164 1.00 0.00 O ATOM 62 CB ILE A 4 -2.542 2.490 -4.029 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.823 2.719 -3.234 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.523 1.753 -3.153 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.553 1.391 -3.071 1.00 0.00 C ATOM 0 H ILE A 4 -3.249 3.677 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.876 4.501 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.752 1.885 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.589 3.142 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.461 3.438 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.933 0.789 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.604 1.595 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.306 2.350 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.470 1.547 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.799 0.988 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.913 0.687 -2.540 1.00 0.00 H new ATOM 77 N ARG A 5 0.416 4.219 -4.432 1.00 0.00 N ATOM 78 CA ARG A 5 1.787 4.141 -5.002 1.00 0.00 C ATOM 79 C ARG A 5 2.834 4.126 -3.888 1.00 0.00 C ATOM 80 O ARG A 5 2.509 4.044 -2.723 1.00 0.00 O ATOM 81 CB ARG A 5 1.930 5.397 -5.861 1.00 0.00 C ATOM 82 CG ARG A 5 1.682 6.636 -4.998 1.00 0.00 C ATOM 83 CD ARG A 5 2.586 7.778 -5.469 1.00 0.00 C ATOM 84 NE ARG A 5 1.672 8.942 -5.655 1.00 0.00 N ATOM 85 CZ ARG A 5 0.874 9.012 -6.693 1.00 0.00 C ATOM 86 NH1 ARG A 5 0.856 8.062 -7.595 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.087 10.043 -6.830 1.00 0.00 N ATOM 0 H ARG A 5 0.347 4.686 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 5 1.938 3.230 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.927 5.439 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.220 5.368 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.636 6.935 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.882 6.408 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.360 7.998 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.093 7.522 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 5 1.668 9.694 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.469 7.253 -7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.229 8.132 -8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.095 10.787 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.537 10.105 -7.635 1.00 0.00 H new ATOM 101 N LEU A 6 4.088 4.221 -4.240 1.00 0.00 N ATOM 102 CA LEU A 6 5.157 4.218 -3.204 1.00 0.00 C ATOM 103 C LEU A 6 5.440 5.641 -2.724 1.00 0.00 C ATOM 104 O LEU A 6 5.717 6.531 -3.503 1.00 0.00 O ATOM 105 CB LEU A 6 6.385 3.644 -3.908 1.00 0.00 C ATOM 106 CG LEU A 6 6.282 2.124 -3.937 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.499 1.689 -5.176 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.685 1.515 -3.977 1.00 0.00 C ATOM 0 H LEU A 6 4.417 4.301 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 6 4.875 3.637 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.453 4.035 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.293 3.949 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 6 5.765 1.779 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.425 0.602 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.498 2.120 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.014 2.035 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.609 0.428 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.206 1.860 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.241 1.823 -3.091 1.00 0.00 H new ATOM 120 N ALA A 7 5.366 5.856 -1.442 1.00 0.00 N ATOM 121 CA ALA A 7 5.623 7.212 -0.886 1.00 0.00 C ATOM 122 C ALA A 7 7.049 7.286 -0.340 1.00 0.00 C ATOM 123 O ALA A 7 7.382 6.633 0.615 1.00 0.00 O ATOM 124 CB ALA A 7 4.609 7.334 0.242 1.00 0.00 C ATOM 0 H ALA A 7 5.136 5.144 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 7 5.528 8.009 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.715 8.307 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.601 7.237 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.784 6.546 0.975 1.00 0.00 H new ATOM 130 N ARG A 8 7.900 8.057 -0.952 1.00 0.00 N ATOM 131 CA ARG A 8 9.312 8.132 -0.478 1.00 0.00 C ATOM 132 C ARG A 8 9.473 9.020 0.765 1.00 0.00 C ATOM 133 O ARG A 8 9.132 10.186 0.758 1.00 0.00 O ATOM 134 CB ARG A 8 10.074 8.748 -1.650 1.00 0.00 C ATOM 135 CG ARG A 8 11.575 8.721 -1.358 1.00 0.00 C ATOM 136 CD ARG A 8 12.188 10.075 -1.722 1.00 0.00 C ATOM 137 NE ARG A 8 13.423 9.744 -2.491 1.00 0.00 N ATOM 138 CZ ARG A 8 14.342 10.654 -2.711 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.209 11.873 -2.251 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.408 10.338 -3.397 1.00 0.00 N ATOM 0 H ARG A 8 7.681 8.640 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 8 9.675 7.147 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.862 8.196 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.743 9.774 -1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.748 8.503 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.054 7.927 -1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.499 10.673 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.422 10.655 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 8 13.554 8.798 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.381 12.127 -1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.933 12.568 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.521 9.390 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.128 11.039 -3.573 1.00 0.00 H new ATOM 276 N TYR A 17 9.637 3.137 1.128 1.00 0.00 N ATOM 277 CA TYR A 17 8.433 3.835 0.634 1.00 0.00 C ATOM 278 C TYR A 17 7.198 3.127 1.147 1.00 0.00 C ATOM 279 O TYR A 17 7.210 1.936 1.382 1.00 0.00 O ATOM 280 CB TYR A 17 8.459 3.694 -0.881 1.00 0.00 C ATOM 281 CG TYR A 17 9.714 4.271 -1.480 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.952 3.664 -1.250 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.631 5.402 -2.298 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.105 4.187 -1.837 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.785 5.928 -2.885 1.00 0.00 C ATOM 286 CZ TYR A 17 12.024 5.320 -2.655 1.00 0.00 C ATOM 287 OH TYR A 17 13.165 5.835 -3.236 1.00 0.00 O ATOM 0 HA TYR A 17 8.417 4.876 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.381 2.640 -1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.590 4.196 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.016 2.790 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.674 5.870 -2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.061 3.717 -1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.721 6.803 -3.515 1.00 0.00 H new ATOM 0 HH TYR A 17 12.932 6.621 -3.773 1.00 0.00 H new ATOM 297 N ARG A 18 6.121 3.833 1.288 1.00 0.00 N ATOM 298 CA ARG A 18 4.890 3.172 1.743 1.00 0.00 C ATOM 299 C ARG A 18 3.970 3.010 0.546 1.00 0.00 C ATOM 300 O ARG A 18 4.012 3.791 -0.385 1.00 0.00 O ATOM 301 CB ARG A 18 4.282 4.111 2.780 1.00 0.00 C ATOM 302 CG ARG A 18 3.423 3.314 3.744 1.00 0.00 C ATOM 303 CD ARG A 18 2.991 4.214 4.903 1.00 0.00 C ATOM 304 NE ARG A 18 3.551 3.571 6.128 1.00 0.00 N ATOM 305 CZ ARG A 18 3.449 4.155 7.299 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.851 5.313 7.425 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.950 3.572 8.354 1.00 0.00 N ATOM 0 H ARG A 18 6.044 4.834 1.108 1.00 0.00 H new ATOM 0 HA ARG A 18 5.062 2.185 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.072 4.630 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.681 4.874 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.547 2.921 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.981 2.457 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.375 5.227 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.905 4.289 4.959 1.00 0.00 H new ATOM 0 HE ARG A 18 4.018 2.667 6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.456 5.775 6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.780 5.753 8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.417 2.669 8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.875 4.019 9.268 1.00 0.00 H new ATOM 321 N ILE A 19 3.114 2.042 0.571 1.00 0.00 N ATOM 322 CA ILE A 19 2.172 1.884 -0.552 1.00 0.00 C ATOM 323 C ILE A 19 0.909 2.536 -0.034 1.00 0.00 C ATOM 324 O ILE A 19 0.015 1.908 0.497 1.00 0.00 O ATOM 325 CB ILE A 19 2.009 0.379 -0.815 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.236 -0.425 -0.341 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.869 0.146 -2.314 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.988 -1.916 -0.565 1.00 0.00 C ATOM 0 H ILE A 19 3.026 1.354 1.319 1.00 0.00 H new ATOM 0 HA ILE A 19 2.478 2.331 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 19 1.128 0.047 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.125 -0.108 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.424 -0.232 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.753 -0.920 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.994 0.679 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.760 0.512 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.856 -2.484 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.110 -2.228 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.821 -2.102 -1.626 1.00 0.00 H new ATOM 340 N VAL A 20 0.920 3.835 -0.086 1.00 0.00 N ATOM 341 CA VAL A 20 -0.168 4.641 0.502 1.00 0.00 C ATOM 342 C VAL A 20 -1.188 5.071 -0.561 1.00 0.00 C ATOM 343 O VAL A 20 -0.963 4.942 -1.747 1.00 0.00 O ATOM 344 CB VAL A 20 0.627 5.819 1.125 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.480 7.113 0.321 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.172 6.053 2.560 1.00 0.00 C ATOM 0 H VAL A 20 1.661 4.382 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.787 4.119 1.232 1.00 0.00 H new ATOM 0 HB VAL A 20 1.681 5.540 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.055 7.906 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.851 6.956 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.571 7.400 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.735 6.881 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.891 6.293 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.346 5.152 3.148 1.00 0.00 H new ATOM 356 N VAL A 21 -2.326 5.543 -0.124 1.00 0.00 N ATOM 357 CA VAL A 21 -3.402 5.944 -1.072 1.00 0.00 C ATOM 358 C VAL A 21 -3.562 7.467 -1.089 1.00 0.00 C ATOM 359 O VAL A 21 -4.045 8.058 -0.145 1.00 0.00 O ATOM 360 CB VAL A 21 -4.699 5.295 -0.537 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.487 4.710 -1.705 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.409 4.169 0.460 1.00 0.00 C ATOM 0 H VAL A 21 -2.556 5.668 0.862 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.171 5.625 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.268 6.071 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.403 4.251 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.739 5.504 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.883 3.956 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.349 3.742 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.818 3.394 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.854 4.569 1.309 1.00 0.00 H new ATOM 372 N THR A 22 -3.178 8.108 -2.158 1.00 0.00 N ATOM 373 CA THR A 22 -3.329 9.591 -2.225 1.00 0.00 C ATOM 374 C THR A 22 -3.849 10.007 -3.603 1.00 0.00 C ATOM 375 O THR A 22 -4.319 9.191 -4.371 1.00 0.00 O ATOM 376 CB THR A 22 -1.927 10.158 -1.983 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.942 11.560 -2.205 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.926 9.501 -2.935 1.00 0.00 C ATOM 0 H THR A 22 -2.768 7.673 -2.985 1.00 0.00 H new ATOM 0 HA THR A 22 -4.043 9.962 -1.489 1.00 0.00 H new ATOM 0 HB THR A 22 -1.629 9.952 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.046 11.925 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.068 9.910 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.912 8.425 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.220 9.699 -3.966 1.00 0.00 H new ATOM 543 N TYR A 32 -1.595 11.441 1.936 1.00 0.00 N ATOM 544 CA TYR A 32 -2.503 10.376 1.411 1.00 0.00 C ATOM 545 C TYR A 32 -3.709 10.204 2.330 1.00 0.00 C ATOM 546 O TYR A 32 -3.658 10.504 3.505 1.00 0.00 O ATOM 547 CB TYR A 32 -1.676 9.085 1.391 1.00 0.00 C ATOM 548 CG TYR A 32 -1.019 8.876 2.736 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.773 8.413 3.821 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.344 9.150 2.897 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.163 8.225 5.067 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.954 8.961 4.143 1.00 0.00 C ATOM 553 CZ TYR A 32 0.200 8.499 5.227 1.00 0.00 C ATOM 554 OH TYR A 32 0.802 8.315 6.455 1.00 0.00 O ATOM 0 HA TYR A 32 -2.879 10.631 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.317 8.236 1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.917 9.140 0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.825 8.201 3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.925 9.507 2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.744 7.869 5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.006 9.172 4.267 1.00 0.00 H new ATOM 0 HH TYR A 32 1.751 8.550 6.393 1.00 0.00 H new ATOM 564 N ILE A 33 -4.793 9.709 1.802 1.00 0.00 N ATOM 565 CA ILE A 33 -6.002 9.504 2.643 1.00 0.00 C ATOM 566 C ILE A 33 -5.667 8.560 3.803 1.00 0.00 C ATOM 567 O ILE A 33 -5.888 8.873 4.956 1.00 0.00 O ATOM 568 CB ILE A 33 -7.026 8.870 1.696 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.453 9.902 0.648 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.252 8.417 2.486 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.785 9.580 -0.692 1.00 0.00 C ATOM 0 H ILE A 33 -4.893 9.438 0.824 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.378 10.427 3.085 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.576 8.008 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.537 9.895 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.173 10.904 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.976 7.967 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.952 7.684 3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.704 9.277 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.090 10.315 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.702 9.610 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.087 8.585 -1.019 1.00 0.00 H new ATOM 583 N GLU A 34 -5.126 7.411 3.504 1.00 0.00 N ATOM 584 CA GLU A 34 -4.766 6.446 4.582 1.00 0.00 C ATOM 585 C GLU A 34 -3.558 5.607 4.152 1.00 0.00 C ATOM 586 O GLU A 34 -3.105 5.688 3.028 1.00 0.00 O ATOM 587 CB GLU A 34 -6.001 5.557 4.750 1.00 0.00 C ATOM 588 CG GLU A 34 -6.991 6.228 5.705 1.00 0.00 C ATOM 589 CD GLU A 34 -6.355 6.359 7.090 1.00 0.00 C ATOM 590 OE1 GLU A 34 -6.003 5.337 7.656 1.00 0.00 O ATOM 591 OE2 GLU A 34 -6.233 7.477 7.560 1.00 0.00 O ATOM 0 H GLU A 34 -4.917 7.098 2.556 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.496 6.946 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.473 5.386 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.709 4.582 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.268 7.212 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.907 5.641 5.768 1.00 0.00 H new ATOM 598 N LYS A 35 -3.037 4.798 5.034 1.00 0.00 N ATOM 599 CA LYS A 35 -1.864 3.952 4.667 1.00 0.00 C ATOM 600 C LYS A 35 -2.286 2.481 4.583 1.00 0.00 C ATOM 601 O LYS A 35 -2.760 1.904 5.541 1.00 0.00 O ATOM 602 CB LYS A 35 -0.845 4.167 5.791 1.00 0.00 C ATOM 603 CG LYS A 35 -1.406 3.641 7.115 1.00 0.00 C ATOM 604 CD LYS A 35 -1.165 4.676 8.216 1.00 0.00 C ATOM 605 CE LYS A 35 -1.869 4.230 9.499 1.00 0.00 C ATOM 606 NZ LYS A 35 -3.141 5.006 9.527 1.00 0.00 N ATOM 0 H LYS A 35 -3.371 4.686 5.991 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.447 4.217 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.086 3.654 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.610 5.227 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.473 3.440 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.927 2.697 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.096 4.789 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.540 5.650 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.061 3.157 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.259 4.439 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.682 4.755 10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.927 6.024 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.703 4.781 8.682 1.00 0.00 H new ATOM 620 N ILE A 36 -2.135 1.873 3.438 1.00 0.00 N ATOM 621 CA ILE A 36 -2.550 0.442 3.298 1.00 0.00 C ATOM 622 C ILE A 36 -1.352 -0.475 3.133 1.00 0.00 C ATOM 623 O ILE A 36 -1.336 -1.581 3.640 1.00 0.00 O ATOM 624 CB ILE A 36 -3.416 0.399 2.043 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.572 0.792 0.818 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.580 1.373 2.210 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.445 0.817 -0.429 1.00 0.00 C ATOM 0 H ILE A 36 -1.745 2.299 2.597 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.079 0.099 4.187 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.803 -0.609 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.121 1.772 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.755 0.082 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.205 1.349 1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.174 1.084 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.193 2.381 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.840 1.096 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.875 -0.171 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.246 1.544 -0.298 1.00 0.00 H new ATOM 639 N GLY A 37 -0.366 -0.055 2.406 1.00 0.00 N ATOM 640 CA GLY A 37 0.793 -0.943 2.195 1.00 0.00 C ATOM 641 C GLY A 37 2.077 -0.306 2.690 1.00 0.00 C ATOM 642 O GLY A 37 2.152 0.873 2.954 1.00 0.00 O ATOM 0 H GLY A 37 -0.313 0.857 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.629 -1.887 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.886 -1.176 1.134 1.00 0.00 H new ATOM 646 N TYR A 38 3.099 -1.098 2.773 1.00 0.00 N ATOM 647 CA TYR A 38 4.432 -0.588 3.203 1.00 0.00 C ATOM 648 C TYR A 38 5.490 -1.209 2.296 1.00 0.00 C ATOM 649 O TYR A 38 5.390 -2.366 1.932 1.00 0.00 O ATOM 650 CB TYR A 38 4.614 -1.057 4.646 1.00 0.00 C ATOM 651 CG TYR A 38 5.982 -0.639 5.139 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.342 0.716 5.141 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.889 -1.603 5.596 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.607 1.103 5.599 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.154 -1.213 6.055 1.00 0.00 C ATOM 656 CZ TYR A 38 8.512 0.139 6.056 1.00 0.00 C ATOM 657 OH TYR A 38 9.759 0.522 6.507 1.00 0.00 O ATOM 0 H TYR A 38 3.072 -2.095 2.559 1.00 0.00 H new ATOM 0 HA TYR A 38 4.516 0.497 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.839 -0.627 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.509 -2.140 4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.644 1.461 4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.613 -2.647 5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.885 2.147 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.853 -1.957 6.408 1.00 0.00 H new ATOM 0 HH TYR A 38 10.431 0.315 5.825 1.00 0.00 H new ATOM 667 N TYR A 39 6.498 -0.473 1.912 1.00 0.00 N ATOM 668 CA TYR A 39 7.524 -1.076 1.019 1.00 0.00 C ATOM 669 C TYR A 39 8.935 -0.649 1.447 1.00 0.00 C ATOM 670 O TYR A 39 9.171 0.495 1.784 1.00 0.00 O ATOM 671 CB TYR A 39 7.215 -0.546 -0.387 1.00 0.00 C ATOM 672 CG TYR A 39 8.282 -1.041 -1.340 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.518 -0.388 -1.399 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.046 -2.163 -2.146 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.516 -0.851 -2.264 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.047 -2.626 -3.011 1.00 0.00 C ATOM 677 CZ TYR A 39 10.281 -1.970 -3.069 1.00 0.00 C ATOM 678 OH TYR A 39 11.267 -2.428 -3.920 1.00 0.00 O ATOM 0 H TYR A 39 6.653 0.501 2.173 1.00 0.00 H new ATOM 0 HA TYR A 39 7.494 -2.165 1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.232 -0.887 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.189 0.544 -0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.702 0.475 -0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.094 -2.670 -2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.468 -0.344 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.865 -3.490 -3.633 1.00 0.00 H new ATOM 0 HH TYR A 39 10.941 -3.214 -4.406 1.00 0.00 H new ATOM 688 N ASP A 40 9.875 -1.553 1.416 1.00 0.00 N ATOM 689 CA ASP A 40 11.274 -1.195 1.796 1.00 0.00 C ATOM 690 C ASP A 40 12.257 -1.887 0.841 1.00 0.00 C ATOM 691 O ASP A 40 12.478 -3.075 0.935 1.00 0.00 O ATOM 692 CB ASP A 40 11.454 -1.713 3.225 1.00 0.00 C ATOM 693 CG ASP A 40 12.365 -0.760 3.999 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.486 -0.558 3.562 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.928 -0.247 5.016 1.00 0.00 O ATOM 0 H ASP A 40 9.736 -2.526 1.144 1.00 0.00 H new ATOM 0 HA ASP A 40 11.461 -0.123 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.486 -1.791 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.885 -2.714 3.209 1.00 0.00 H new ATOM 838 N LEU A 49 8.137 -6.262 2.144 1.00 0.00 N ATOM 839 CA LEU A 49 6.770 -5.948 1.636 1.00 0.00 C ATOM 840 C LEU A 49 5.719 -6.232 2.711 1.00 0.00 C ATOM 841 O LEU A 49 5.441 -7.369 3.035 1.00 0.00 O ATOM 842 CB LEU A 49 6.561 -6.878 0.444 1.00 0.00 C ATOM 843 CG LEU A 49 5.246 -6.523 -0.251 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.318 -6.942 -1.716 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.096 -7.256 0.443 1.00 0.00 C ATOM 0 HA LEU A 49 6.673 -4.897 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.392 -6.784 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.541 -7.916 0.777 1.00 0.00 H new ATOM 0 HG LEU A 49 5.076 -5.448 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.381 -6.690 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.140 -6.419 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.484 -8.017 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.156 -7.006 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.262 -8.332 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.050 -6.953 1.489 1.00 0.00 H new ATOM 857 N LYS A 50 5.126 -5.209 3.255 1.00 0.00 N ATOM 858 CA LYS A 50 4.081 -5.424 4.300 1.00 0.00 C ATOM 859 C LYS A 50 2.804 -4.678 3.911 1.00 0.00 C ATOM 860 O LYS A 50 2.725 -3.472 4.031 1.00 0.00 O ATOM 861 CB LYS A 50 4.671 -4.838 5.583 1.00 0.00 C ATOM 862 CG LYS A 50 5.790 -5.745 6.095 1.00 0.00 C ATOM 863 CD LYS A 50 5.439 -6.248 7.497 1.00 0.00 C ATOM 864 CE LYS A 50 6.115 -5.361 8.543 1.00 0.00 C ATOM 865 NZ LYS A 50 5.950 -6.094 9.830 1.00 0.00 N ATOM 0 H LYS A 50 5.317 -4.234 3.024 1.00 0.00 H new ATOM 0 HA LYS A 50 3.821 -6.476 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.059 -3.837 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.894 -4.740 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.927 -6.588 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.733 -5.199 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.358 -6.236 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.765 -7.281 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.168 -5.206 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.650 -4.376 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.389 -5.548 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.937 -6.221 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.409 -7.025 9.761 1.00 0.00 H new ATOM 879 N VAL A 51 1.802 -5.373 3.433 1.00 0.00 N ATOM 880 CA VAL A 51 0.555 -4.665 3.035 1.00 0.00 C ATOM 881 C VAL A 51 -0.672 -5.282 3.700 1.00 0.00 C ATOM 882 O VAL A 51 -0.758 -6.474 3.916 1.00 0.00 O ATOM 883 CB VAL A 51 0.480 -4.801 1.491 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.967 -5.002 1.003 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.009 -3.528 0.851 1.00 0.00 C ATOM 0 H VAL A 51 1.795 -6.385 3.304 1.00 0.00 H new ATOM 0 HA VAL A 51 0.571 -3.621 3.350 1.00 0.00 H new ATOM 0 HB VAL A 51 1.074 -5.670 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.975 -5.093 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.378 -5.909 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.573 -4.146 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.959 -3.618 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.404 -2.680 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.044 -3.371 1.154 1.00 0.00 H new ATOM 895 N ASP A 52 -1.647 -4.463 3.953 1.00 0.00 N ATOM 896 CA ASP A 52 -2.914 -4.965 4.523 1.00 0.00 C ATOM 897 C ASP A 52 -3.873 -5.138 3.351 1.00 0.00 C ATOM 898 O ASP A 52 -4.794 -4.364 3.185 1.00 0.00 O ATOM 899 CB ASP A 52 -3.404 -3.866 5.468 1.00 0.00 C ATOM 900 CG ASP A 52 -4.268 -4.486 6.569 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.721 -5.603 6.383 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.465 -3.829 7.579 1.00 0.00 O ATOM 0 H ASP A 52 -1.617 -3.457 3.786 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.822 -5.909 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.554 -3.345 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.980 -3.125 4.913 1.00 0.00 H new ATOM 907 N VAL A 53 -3.614 -6.123 2.512 1.00 0.00 N ATOM 908 CA VAL A 53 -4.460 -6.363 1.288 1.00 0.00 C ATOM 909 C VAL A 53 -5.932 -6.009 1.545 1.00 0.00 C ATOM 910 O VAL A 53 -6.616 -5.541 0.662 1.00 0.00 O ATOM 911 CB VAL A 53 -4.263 -7.860 0.883 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.914 -8.739 2.090 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.531 -8.416 0.215 1.00 0.00 C ATOM 0 H VAL A 53 -2.842 -6.779 2.626 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.151 -5.716 0.467 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.431 -7.886 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.786 -9.771 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.988 -8.384 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.719 -8.688 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.371 -9.459 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.368 -8.347 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.754 -7.836 -0.681 1.00 0.00 H new ATOM 923 N GLU A 54 -6.417 -6.189 2.741 1.00 0.00 N ATOM 924 CA GLU A 54 -7.828 -5.813 3.009 1.00 0.00 C ATOM 925 C GLU A 54 -7.996 -4.317 2.759 1.00 0.00 C ATOM 926 O GLU A 54 -8.832 -3.894 1.985 1.00 0.00 O ATOM 927 CB GLU A 54 -8.077 -6.162 4.476 1.00 0.00 C ATOM 928 CG GLU A 54 -9.522 -6.627 4.653 1.00 0.00 C ATOM 929 CD GLU A 54 -9.627 -7.491 5.911 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.615 -8.039 6.314 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.716 -7.587 6.450 1.00 0.00 O ATOM 0 H GLU A 54 -5.904 -6.575 3.534 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.536 -6.335 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.390 -6.946 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.884 -5.293 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.185 -5.766 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.842 -7.196 3.780 1.00 0.00 H new ATOM 938 N ARG A 55 -7.187 -3.512 3.388 1.00 0.00 N ATOM 939 CA ARG A 55 -7.279 -2.048 3.162 1.00 0.00 C ATOM 940 C ARG A 55 -6.703 -1.725 1.788 1.00 0.00 C ATOM 941 O ARG A 55 -7.217 -0.902 1.064 1.00 0.00 O ATOM 942 CB ARG A 55 -6.429 -1.403 4.256 1.00 0.00 C ATOM 943 CG ARG A 55 -7.142 -1.515 5.605 1.00 0.00 C ATOM 944 CD ARG A 55 -8.509 -0.824 5.543 1.00 0.00 C ATOM 945 NE ARG A 55 -8.237 0.537 4.994 1.00 0.00 N ATOM 946 CZ ARG A 55 -7.698 1.469 5.744 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.372 1.227 6.990 1.00 0.00 N ATOM 948 NH2 ARG A 55 -7.481 2.653 5.240 1.00 0.00 N ATOM 0 H ARG A 55 -6.467 -3.807 4.048 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.306 -1.685 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.456 -1.891 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.247 -0.355 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.269 -2.564 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.532 -1.060 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.200 -1.375 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.966 -0.766 6.531 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.473 0.745 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.536 0.303 7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.954 1.962 7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.730 2.848 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.062 3.383 5.816 1.00 0.00 H new ATOM 962 N ALA A 56 -5.650 -2.392 1.408 1.00 0.00 N ATOM 963 CA ALA A 56 -5.071 -2.138 0.075 1.00 0.00 C ATOM 964 C ALA A 56 -6.107 -2.552 -0.975 1.00 0.00 C ATOM 965 O ALA A 56 -6.094 -2.085 -2.100 1.00 0.00 O ATOM 966 CB ALA A 56 -3.791 -2.986 0.026 1.00 0.00 C ATOM 0 H ALA A 56 -5.171 -3.099 1.966 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.824 -1.095 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.301 -2.850 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.116 -2.673 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.046 -4.037 0.159 1.00 0.00 H new ATOM 972 N ARG A 57 -7.041 -3.401 -0.602 1.00 0.00 N ATOM 973 CA ARG A 57 -8.090 -3.807 -1.564 1.00 0.00 C ATOM 974 C ARG A 57 -9.278 -2.839 -1.482 1.00 0.00 C ATOM 975 O ARG A 57 -10.017 -2.672 -2.429 1.00 0.00 O ATOM 976 CB ARG A 57 -8.516 -5.216 -1.152 1.00 0.00 C ATOM 977 CG ARG A 57 -9.628 -5.707 -2.081 1.00 0.00 C ATOM 978 CD ARG A 57 -9.380 -7.173 -2.441 1.00 0.00 C ATOM 979 NE ARG A 57 -8.998 -7.158 -3.884 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.910 -7.038 -4.821 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.178 -6.915 -4.517 1.00 0.00 N ATOM 982 NH2 ARG A 57 -9.547 -7.038 -6.074 1.00 0.00 N ATOM 0 H ARG A 57 -7.112 -3.822 0.324 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.727 -3.789 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.663 -5.893 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.865 -5.214 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.597 -5.600 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.656 -5.099 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.587 -7.601 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.273 -7.776 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.016 -7.242 -4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.470 -6.911 -3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.873 -6.823 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.561 -7.131 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.249 -6.945 -6.808 1.00 0.00 H new ATOM 996 N TYR A 58 -9.443 -2.179 -0.362 1.00 0.00 N ATOM 997 CA TYR A 58 -10.555 -1.195 -0.212 1.00 0.00 C ATOM 998 C TYR A 58 -10.370 -0.145 -1.283 1.00 0.00 C ATOM 999 O TYR A 58 -11.264 0.217 -2.024 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.326 -0.594 1.184 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.902 0.810 1.299 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.130 1.116 0.702 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.204 1.802 2.007 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.664 2.405 0.813 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.739 3.092 2.116 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.969 3.392 1.521 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.498 4.663 1.631 1.00 0.00 O ATOM 0 H TYR A 58 -8.849 -2.282 0.461 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.556 -1.615 -0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.784 -1.237 1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.257 -0.566 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.667 0.356 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.255 1.570 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.613 2.638 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.202 3.855 2.660 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.890 5.226 2.155 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.180 0.334 -1.334 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.814 1.367 -2.311 1.00 0.00 C ATOM 1019 C TRP A 59 -8.977 0.812 -3.709 1.00 0.00 C ATOM 1020 O TRP A 59 -9.680 1.360 -4.531 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.378 1.690 -1.947 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.455 2.405 -0.649 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.991 1.973 0.547 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.108 3.664 -0.406 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.300 2.926 1.507 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.993 3.990 0.960 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.771 4.547 -1.256 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.531 5.171 1.471 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.318 5.734 -0.754 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.198 6.048 0.608 1.00 0.00 C ATOM 0 H TRP A 59 -8.420 0.044 -0.719 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.432 2.265 -2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.780 0.783 -1.861 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.909 2.310 -2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.469 1.044 0.724 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.048 2.851 2.492 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.863 4.315 -2.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.434 5.406 2.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.835 6.411 -1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.620 6.966 0.990 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.389 -0.313 -3.970 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.580 -0.939 -5.305 1.00 0.00 C ATOM 1043 C LEU A 60 -10.088 -1.083 -5.560 1.00 0.00 C ATOM 1044 O LEU A 60 -10.536 -1.174 -6.687 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.912 -2.312 -5.208 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.452 -2.204 -5.649 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.632 -3.298 -4.962 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.365 -2.379 -7.167 1.00 0.00 C ATOM 0 H LEU A 60 -7.788 -0.826 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.153 -0.355 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.967 -2.683 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.440 -3.030 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.058 -1.226 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.591 -3.223 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.696 -3.176 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.025 -4.276 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.325 -2.302 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.757 -3.358 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.951 -1.602 -7.657 1.00 0.00 H new ATOM 1060 N SER A 61 -10.876 -1.097 -4.504 1.00 0.00 N ATOM 1061 CA SER A 61 -12.350 -1.221 -4.669 1.00 0.00 C ATOM 1062 C SER A 61 -12.973 0.135 -5.021 1.00 0.00 C ATOM 1063 O SER A 61 -14.052 0.200 -5.576 1.00 0.00 O ATOM 1064 CB SER A 61 -12.868 -1.707 -3.315 1.00 0.00 C ATOM 1065 OG SER A 61 -13.955 -2.598 -3.522 1.00 0.00 O ATOM 0 H SER A 61 -10.554 -1.027 -3.539 1.00 0.00 H new ATOM 0 HA SER A 61 -12.608 -1.906 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.071 -2.208 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.188 -0.859 -2.709 1.00 0.00 H new ATOM 0 HG SER A 61 -14.289 -2.913 -2.656 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.312 1.223 -4.708 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.887 2.550 -5.037 1.00 0.00 C ATOM 1073 C VAL A 62 -12.254 3.074 -6.326 1.00 0.00 C ATOM 1074 O VAL A 62 -12.063 4.260 -6.509 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.564 3.469 -3.842 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.933 2.780 -2.525 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.072 3.826 -3.818 1.00 0.00 C ATOM 0 H VAL A 62 -11.405 1.243 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.964 2.503 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.150 4.381 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.699 3.441 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.999 2.552 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.364 1.856 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.867 4.475 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.481 2.914 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.807 4.343 -4.740 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.931 2.183 -7.215 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.309 2.596 -8.504 1.00 0.00 C ATOM 1089 C GLY A 63 -9.892 3.117 -8.249 1.00 0.00 C ATOM 1090 O GLY A 63 -9.386 3.941 -8.984 1.00 0.00 O ATOM 0 H GLY A 63 -12.071 1.179 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.278 1.751 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.912 3.370 -8.978 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.245 2.645 -7.218 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.864 3.122 -6.934 1.00 0.00 C ATOM 1096 C ALA A 64 -6.905 2.630 -8.019 1.00 0.00 C ATOM 1097 O ALA A 64 -6.928 1.479 -8.406 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.500 2.519 -5.577 1.00 0.00 C ATOM 0 H ALA A 64 -9.612 1.953 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.798 4.210 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.492 2.828 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.206 2.867 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.542 1.432 -5.639 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.063 3.493 -8.519 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.109 3.069 -9.582 1.00 0.00 C ATOM 1106 C GLN A 65 -3.711 2.850 -8.987 1.00 0.00 C ATOM 1107 O GLN A 65 -3.047 3.797 -8.614 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.090 4.225 -10.582 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.165 3.669 -12.005 1.00 0.00 C ATOM 1110 CD GLN A 65 -3.779 3.187 -12.436 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.366 2.098 -12.090 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.037 3.959 -13.182 1.00 0.00 N ATOM 0 H GLN A 65 -5.995 4.471 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.405 2.130 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.930 4.894 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.181 4.813 -10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.878 2.846 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.524 4.438 -12.689 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.383 4.873 -13.473 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.111 3.648 -13.474 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.305 1.603 -8.913 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.974 1.275 -8.361 1.00 0.00 C ATOM 1123 C PRO A 66 -0.902 1.396 -9.448 1.00 0.00 C ATOM 1124 O PRO A 66 -1.012 0.807 -10.505 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.124 -0.174 -7.917 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.222 -0.749 -8.764 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.035 0.396 -9.322 1.00 0.00 C ATOM 0 HA PRO A 66 -1.669 1.939 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.193 -0.724 -8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.374 -0.235 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.804 -1.348 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.854 -1.410 -8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.118 0.331 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.050 0.393 -8.924 1.00 0.00 H new ATOM 1135 N THR A 67 0.137 2.147 -9.201 1.00 0.00 N ATOM 1136 CA THR A 67 1.208 2.287 -10.231 1.00 0.00 C ATOM 1137 C THR A 67 1.821 0.915 -10.536 1.00 0.00 C ATOM 1138 O THR A 67 1.503 -0.070 -9.901 1.00 0.00 O ATOM 1139 CB THR A 67 2.248 3.231 -9.616 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.388 3.291 -10.464 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.667 2.726 -8.234 1.00 0.00 C ATOM 0 H THR A 67 0.291 2.667 -8.337 1.00 0.00 H new ATOM 0 HA THR A 67 0.827 2.681 -11.173 1.00 0.00 H new ATOM 0 HB THR A 67 1.811 4.224 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.054 3.895 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.406 3.404 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.794 2.683 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.100 1.730 -8.326 1.00 0.00 H new ATOM 1149 N ASP A 68 2.683 0.841 -11.512 1.00 0.00 N ATOM 1150 CA ASP A 68 3.300 -0.471 -11.870 1.00 0.00 C ATOM 1151 C ASP A 68 4.038 -1.079 -10.672 1.00 0.00 C ATOM 1152 O ASP A 68 4.176 -2.280 -10.562 1.00 0.00 O ATOM 1153 CB ASP A 68 4.282 -0.149 -12.997 1.00 0.00 C ATOM 1154 CG ASP A 68 4.986 -1.430 -13.445 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.318 -2.447 -13.542 1.00 0.00 O ATOM 1156 OD2 ASP A 68 6.181 -1.373 -13.687 1.00 0.00 O ATOM 0 H ASP A 68 2.988 1.632 -12.079 1.00 0.00 H new ATOM 0 HA ASP A 68 2.550 -1.202 -12.170 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.752 0.300 -13.837 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.016 0.581 -12.656 1.00 0.00 H new ATOM 1161 N THR A 69 4.517 -0.262 -9.781 1.00 0.00 N ATOM 1162 CA THR A 69 5.253 -0.794 -8.597 1.00 0.00 C ATOM 1163 C THR A 69 4.277 -1.222 -7.499 1.00 0.00 C ATOM 1164 O THR A 69 4.334 -2.327 -6.997 1.00 0.00 O ATOM 1165 CB THR A 69 6.086 0.375 -8.110 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.551 1.126 -9.222 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.276 -0.133 -7.292 1.00 0.00 C ATOM 0 H THR A 69 4.432 0.754 -9.818 1.00 0.00 H new ATOM 0 HA THR A 69 5.853 -1.668 -8.850 1.00 0.00 H new ATOM 0 HB THR A 69 5.469 1.013 -7.477 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.088 1.882 -8.905 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.868 0.714 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.913 -0.696 -6.432 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.895 -0.779 -7.914 1.00 0.00 H new ATOM 1175 N ALA A 70 3.382 -0.351 -7.125 1.00 0.00 N ATOM 1176 CA ALA A 70 2.403 -0.695 -6.067 1.00 0.00 C ATOM 1177 C ALA A 70 1.454 -1.748 -6.606 1.00 0.00 C ATOM 1178 O ALA A 70 0.913 -2.551 -5.871 1.00 0.00 O ATOM 1179 CB ALA A 70 1.658 0.606 -5.766 1.00 0.00 C ATOM 0 H ALA A 70 3.289 0.588 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 70 2.870 -1.096 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.914 0.428 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.367 1.360 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.161 0.958 -6.670 1.00 0.00 H new ATOM 1185 N ARG A 71 1.275 -1.773 -7.896 1.00 0.00 N ATOM 1186 CA ARG A 71 0.398 -2.798 -8.478 1.00 0.00 C ATOM 1187 C ARG A 71 1.096 -4.131 -8.290 1.00 0.00 C ATOM 1188 O ARG A 71 0.489 -5.132 -7.967 1.00 0.00 O ATOM 1189 CB ARG A 71 0.274 -2.443 -9.961 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.608 -3.479 -10.662 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.895 -3.019 -12.093 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.369 -3.168 -12.258 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.909 -4.349 -12.456 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.170 -5.429 -12.503 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.200 -4.447 -12.605 1.00 0.00 N ATOM 0 H ARG A 71 1.700 -1.127 -8.562 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.591 -2.849 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.157 -1.448 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.261 -2.417 -10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.110 -4.449 -10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.542 -3.607 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.583 -1.986 -12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.353 -3.626 -12.819 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.966 -2.342 -12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.159 -5.361 -12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.605 -6.338 -12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.783 -3.611 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.628 -5.360 -12.759 1.00 0.00 H new ATOM 1209 N ARG A 72 2.392 -4.132 -8.452 1.00 0.00 N ATOM 1210 CA ARG A 72 3.155 -5.382 -8.255 1.00 0.00 C ATOM 1211 C ARG A 72 3.080 -5.779 -6.783 1.00 0.00 C ATOM 1212 O ARG A 72 2.842 -6.921 -6.442 1.00 0.00 O ATOM 1213 CB ARG A 72 4.592 -5.042 -8.653 1.00 0.00 C ATOM 1214 CG ARG A 72 4.936 -5.727 -9.977 1.00 0.00 C ATOM 1215 CD ARG A 72 6.017 -4.920 -10.701 1.00 0.00 C ATOM 1216 NE ARG A 72 6.688 -5.897 -11.607 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.547 -6.772 -11.137 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.822 -6.826 -9.858 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.133 -7.602 -11.956 1.00 0.00 N ATOM 0 H ARG A 72 2.949 -3.318 -8.712 1.00 0.00 H new ATOM 0 HA ARG A 72 2.769 -6.215 -8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.707 -3.962 -8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.282 -5.367 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.287 -6.743 -9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.046 -5.805 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.582 -4.094 -11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.725 -4.486 -9.995 1.00 0.00 H new ATOM 0 HE ARG A 72 6.477 -5.885 -12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.367 -6.182 -9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.492 -7.512 -9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.923 -7.568 -12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.801 -8.285 -11.599 1.00 0.00 H new ATOM 1233 N LEU A 73 3.272 -4.831 -5.905 1.00 0.00 N ATOM 1234 CA LEU A 73 3.203 -5.128 -4.456 1.00 0.00 C ATOM 1235 C LEU A 73 1.787 -5.526 -4.080 1.00 0.00 C ATOM 1236 O LEU A 73 1.572 -6.263 -3.141 1.00 0.00 O ATOM 1237 CB LEU A 73 3.615 -3.833 -3.761 1.00 0.00 C ATOM 1238 CG LEU A 73 5.039 -3.479 -4.178 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.358 -2.044 -3.756 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.015 -4.440 -3.499 1.00 0.00 C ATOM 0 H LEU A 73 3.475 -3.859 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 73 3.851 -5.955 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.932 -3.027 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.558 -3.951 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 73 5.133 -3.564 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.376 -1.794 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.660 -1.359 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.266 -1.954 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.035 -4.191 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.918 -4.352 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.789 -5.462 -3.802 1.00 0.00 H new ATOM 1252 N LEU A 74 0.816 -5.080 -4.826 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.570 -5.489 -4.518 1.00 0.00 C ATOM 1254 C LEU A 74 -0.727 -6.938 -4.967 1.00 0.00 C ATOM 1255 O LEU A 74 -1.513 -7.693 -4.434 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.465 -4.548 -5.321 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.686 -3.268 -4.514 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.403 -2.232 -5.380 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.539 -3.581 -3.283 1.00 0.00 C ATOM 0 H LEU A 74 0.925 -4.457 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.826 -5.430 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.002 -4.314 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.420 -5.028 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.722 -2.870 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.559 -1.321 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.795 -2.007 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.367 -2.629 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.696 -2.669 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.502 -3.981 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.027 -4.317 -2.663 1.00 0.00 H new ATOM 1271 N ARG A 75 0.063 -7.337 -5.930 1.00 0.00 N ATOM 1272 CA ARG A 75 0.016 -8.734 -6.408 1.00 0.00 C ATOM 1273 C ARG A 75 0.893 -9.585 -5.499 1.00 0.00 C ATOM 1274 O ARG A 75 0.660 -10.762 -5.307 1.00 0.00 O ATOM 1275 CB ARG A 75 0.597 -8.691 -7.820 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.292 -9.496 -8.765 1.00 0.00 C ATOM 1277 CD ARG A 75 0.498 -10.679 -9.331 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.532 -11.578 -9.928 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.201 -12.753 -10.410 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.039 -13.171 -10.374 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.124 -13.515 -10.934 1.00 0.00 N ATOM 0 H ARG A 75 0.742 -6.742 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.989 -9.156 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.669 -7.659 -8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.608 -9.098 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.173 -9.855 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.646 -8.861 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.218 -10.351 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.061 -11.188 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.506 -11.276 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.765 -12.581 -9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.280 -14.087 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.092 -13.195 -10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.877 -14.430 -11.311 1.00 0.00 H new ATOM 1295 N GLN A 76 1.911 -8.988 -4.938 1.00 0.00 N ATOM 1296 CA GLN A 76 2.814 -9.739 -4.046 1.00 0.00 C ATOM 1297 C GLN A 76 2.246 -9.781 -2.641 1.00 0.00 C ATOM 1298 O GLN A 76 2.350 -10.766 -1.937 1.00 0.00 O ATOM 1299 CB GLN A 76 4.110 -8.952 -4.102 1.00 0.00 C ATOM 1300 CG GLN A 76 5.289 -9.872 -3.802 1.00 0.00 C ATOM 1301 CD GLN A 76 5.880 -10.372 -5.120 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.125 -11.551 -5.281 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.122 -9.517 -6.077 1.00 0.00 N ATOM 0 H GLN A 76 2.150 -8.005 -5.066 1.00 0.00 H new ATOM 0 HA GLN A 76 2.952 -10.779 -4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.230 -8.502 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.082 -8.136 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.047 -9.338 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.963 -10.715 -3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.916 -8.527 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.517 -9.839 -6.961 1.00 0.00 H new ATOM 1312 N ALA A 77 1.623 -8.723 -2.243 1.00 0.00 N ATOM 1313 CA ALA A 77 1.009 -8.685 -0.895 1.00 0.00 C ATOM 1314 C ALA A 77 -0.173 -9.663 -0.835 1.00 0.00 C ATOM 1315 O ALA A 77 -0.725 -9.917 0.218 1.00 0.00 O ATOM 1316 CB ALA A 77 0.528 -7.245 -0.721 1.00 0.00 C ATOM 0 H ALA A 77 1.509 -7.873 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 77 1.706 -8.976 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.059 -7.134 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.378 -6.566 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.196 -7.007 -1.500 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.570 -10.212 -1.958 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.712 -11.166 -1.965 1.00 0.00 C ATOM 1324 C GLY A 78 -3.024 -10.385 -2.006 1.00 0.00 C ATOM 1325 O GLY A 78 -3.865 -10.530 -1.143 1.00 0.00 O ATOM 0 H GLY A 78 -0.148 -10.037 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.642 -11.828 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.679 -11.797 -1.077 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.207 -9.551 -2.996 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.463 -8.761 -3.072 1.00 0.00 C ATOM 1331 C VAL A 79 -5.346 -9.240 -4.227 1.00 0.00 C ATOM 1332 O VAL A 79 -6.476 -9.640 -4.031 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.034 -7.316 -3.308 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.257 -6.403 -3.204 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.996 -6.894 -2.261 1.00 0.00 C ATOM 0 H VAL A 79 -2.541 -9.386 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.048 -8.870 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.591 -7.234 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.955 -5.369 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.992 -6.693 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.697 -6.496 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.698 -5.861 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.429 -6.979 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.122 -7.542 -2.333 1.00 0.00 H new