USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 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 1 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 1 GLN N :NH3+ 137:sc= 0.0698 (180deg=-0.322) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.18) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.046 K(o=-0.046,f=-3.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 129:sc= 0.0092 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 51.049 4.916 9.159 1.00 0.00 N ATOM 2 CA GLN A 1 51.148 3.462 9.500 1.00 0.00 C ATOM 3 C GLN A 1 51.483 2.636 8.254 1.00 0.00 C ATOM 4 O GLN A 1 51.576 3.155 7.157 1.00 0.00 O ATOM 5 CB GLN A 1 49.769 3.070 10.051 1.00 0.00 C ATOM 6 CG GLN A 1 48.691 3.268 8.977 1.00 0.00 C ATOM 7 CD GLN A 1 47.522 2.317 9.244 1.00 0.00 C ATOM 8 OE1 GLN A 1 46.553 2.691 9.874 1.00 0.00 O ATOM 9 NE2 GLN A 1 47.569 1.095 8.788 1.00 0.00 N ATOM 0 H1 GLN A 1 50.224 5.330 9.638 1.00 0.00 H new ATOM 0 H2 GLN A 1 51.912 5.405 9.471 1.00 0.00 H new ATOM 0 H3 GLN A 1 50.942 5.025 8.130 1.00 0.00 H new ATOM 0 HA GLN A 1 51.940 3.274 10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 1 49.782 2.030 10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 1 49.535 3.675 10.927 1.00 0.00 H new ATOM 0 HG2 GLN A 1 48.342 4.301 8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 1 49.109 3.079 7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 1 48.382 0.779 8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 1 46.793 0.456 8.961 1.00 0.00 H new ATOM 20 N VAL A 2 51.655 1.352 8.423 1.00 0.00 N ATOM 21 CA VAL A 2 51.977 0.472 7.257 1.00 0.00 C ATOM 22 C VAL A 2 50.690 0.127 6.496 1.00 0.00 C ATOM 23 O VAL A 2 49.612 0.115 7.061 1.00 0.00 O ATOM 24 CB VAL A 2 52.606 -0.790 7.863 1.00 0.00 C ATOM 25 CG1 VAL A 2 52.953 -1.783 6.749 1.00 0.00 C ATOM 26 CG2 VAL A 2 53.887 -0.417 8.617 1.00 0.00 C ATOM 0 H VAL A 2 51.587 0.871 9.320 1.00 0.00 H new ATOM 0 HA VAL A 2 52.651 0.952 6.547 1.00 0.00 H new ATOM 0 HB VAL A 2 51.894 -1.246 8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 2 53.399 -2.677 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 2 52.046 -2.056 6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 2 53.661 -1.323 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 2 54.331 -1.315 9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 2 54.594 0.044 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 2 53.648 0.286 9.415 1.00 0.00 H new ATOM 36 N TYR A 3 50.797 -0.153 5.221 1.00 0.00 N ATOM 37 CA TYR A 3 49.580 -0.499 4.418 1.00 0.00 C ATOM 38 C TYR A 3 49.087 -1.906 4.783 1.00 0.00 C ATOM 39 O TYR A 3 49.842 -2.861 4.763 1.00 0.00 O ATOM 40 CB TYR A 3 50.031 -0.451 2.954 1.00 0.00 C ATOM 41 CG TYR A 3 50.031 0.979 2.467 1.00 0.00 C ATOM 42 CD1 TYR A 3 48.875 1.525 1.893 1.00 0.00 C ATOM 43 CD2 TYR A 3 51.187 1.761 2.587 1.00 0.00 C ATOM 44 CE1 TYR A 3 48.876 2.850 1.440 1.00 0.00 C ATOM 45 CE2 TYR A 3 51.187 3.085 2.134 1.00 0.00 C ATOM 46 CZ TYR A 3 50.032 3.630 1.561 1.00 0.00 C ATOM 47 OH TYR A 3 50.031 4.935 1.116 1.00 0.00 O ATOM 0 H TYR A 3 51.674 -0.157 4.700 1.00 0.00 H new ATOM 0 HA TYR A 3 48.756 0.188 4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 3 51.029 -0.878 2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 3 49.364 -1.055 2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 3 47.983 0.924 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 3 52.079 1.342 3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 3 47.985 3.270 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 3 52.079 3.687 2.227 1.00 0.00 H new ATOM 0 HH TYR A 3 50.911 5.336 1.275 1.00 0.00 H new ATOM 57 N LYS A 4 47.826 -2.038 5.117 1.00 0.00 N ATOM 58 CA LYS A 4 47.283 -3.382 5.484 1.00 0.00 C ATOM 59 C LYS A 4 46.547 -4.008 4.291 1.00 0.00 C ATOM 60 O LYS A 4 45.548 -3.492 3.825 1.00 0.00 O ATOM 61 CB LYS A 4 46.312 -3.123 6.643 1.00 0.00 C ATOM 62 CG LYS A 4 46.602 -4.100 7.787 1.00 0.00 C ATOM 63 CD LYS A 4 46.250 -5.527 7.351 1.00 0.00 C ATOM 64 CE LYS A 4 46.519 -6.499 8.505 1.00 0.00 C ATOM 65 NZ LYS A 4 45.171 -6.906 9.000 1.00 0.00 N ATOM 0 H LYS A 4 47.151 -1.274 5.151 1.00 0.00 H new ATOM 0 HA LYS A 4 48.073 -4.078 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 4 46.415 -2.096 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 4 45.284 -3.242 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 4 47.654 -4.044 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 4 46.022 -3.825 8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 4 45.202 -5.579 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 4 46.842 -5.808 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 4 47.091 -7.363 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 4 47.100 -6.022 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 45.277 -7.490 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 44.614 -6.058 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 44.682 -7.454 8.264 1.00 0.00 H new ATOM 79 N GLY A 5 47.038 -5.119 3.800 1.00 0.00 N ATOM 80 CA GLY A 5 46.379 -5.790 2.642 1.00 0.00 C ATOM 81 C GLY A 5 45.934 -7.197 3.052 1.00 0.00 C ATOM 82 O GLY A 5 46.509 -8.183 2.633 1.00 0.00 O ATOM 0 H GLY A 5 47.870 -5.590 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 5 45.519 -5.207 2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 5 47.069 -5.846 1.800 1.00 0.00 H new ATOM 86 N GLY A 6 44.915 -7.296 3.872 1.00 0.00 N ATOM 87 CA GLY A 6 44.431 -8.637 4.313 1.00 0.00 C ATOM 88 C GLY A 6 43.719 -8.512 5.664 1.00 0.00 C ATOM 89 O GLY A 6 44.254 -7.957 6.607 1.00 0.00 O ATOM 0 H GLY A 6 44.399 -6.503 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 6 43.750 -9.051 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 6 45.270 -9.328 4.396 1.00 0.00 H new ATOM 93 N TYR A 7 42.516 -9.024 5.763 1.00 0.00 N ATOM 94 CA TYR A 7 41.763 -8.940 7.053 1.00 0.00 C ATOM 95 C TYR A 7 42.408 -9.848 8.107 1.00 0.00 C ATOM 96 O TYR A 7 42.955 -10.890 7.793 1.00 0.00 O ATOM 97 CB TYR A 7 40.345 -9.425 6.728 1.00 0.00 C ATOM 98 CG TYR A 7 39.467 -8.243 6.389 1.00 0.00 C ATOM 99 CD1 TYR A 7 38.964 -7.427 7.411 1.00 0.00 C ATOM 100 CD2 TYR A 7 39.151 -7.966 5.054 1.00 0.00 C ATOM 101 CE1 TYR A 7 38.148 -6.335 7.098 1.00 0.00 C ATOM 102 CE2 TYR A 7 38.334 -6.873 4.741 1.00 0.00 C ATOM 103 CZ TYR A 7 37.833 -6.058 5.762 1.00 0.00 C ATOM 104 OH TYR A 7 37.028 -4.981 5.453 1.00 0.00 O ATOM 0 H TYR A 7 42.023 -9.497 5.005 1.00 0.00 H new ATOM 0 HA TYR A 7 41.764 -7.928 7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 7 40.372 -10.122 5.891 1.00 0.00 H new ATOM 0 HB3 TYR A 7 39.931 -9.965 7.579 1.00 0.00 H new ATOM 0 HD1 TYR A 7 39.207 -7.641 8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 7 39.537 -8.595 4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 7 37.761 -5.706 7.886 1.00 0.00 H new ATOM 0 HE2 TYR A 7 38.090 -6.659 3.711 1.00 0.00 H new ATOM 0 HH TYR A 7 36.909 -4.930 4.482 1.00 0.00 H new ATOM 114 N ALA A 8 42.343 -9.458 9.358 1.00 0.00 N ATOM 115 CA ALA A 8 42.946 -10.291 10.447 1.00 0.00 C ATOM 116 C ALA A 8 42.287 -11.680 10.492 1.00 0.00 C ATOM 117 O ALA A 8 42.915 -12.658 10.854 1.00 0.00 O ATOM 118 CB ALA A 8 42.667 -9.525 11.741 1.00 0.00 C ATOM 0 H ALA A 8 41.897 -8.596 9.672 1.00 0.00 H new ATOM 0 HA ALA A 8 44.013 -10.453 10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 8 43.081 -10.075 12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 8 43.131 -8.540 11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 8 41.591 -9.413 11.873 1.00 0.00 H new ATOM 124 N ARG A 9 41.031 -11.770 10.124 1.00 0.00 N ATOM 125 CA ARG A 9 40.332 -13.091 10.138 1.00 0.00 C ATOM 126 C ARG A 9 40.754 -13.923 8.917 1.00 0.00 C ATOM 127 O ARG A 9 40.783 -13.419 7.809 1.00 0.00 O ATOM 128 CB ARG A 9 38.836 -12.759 10.069 1.00 0.00 C ATOM 129 CG ARG A 9 38.131 -13.294 11.320 1.00 0.00 C ATOM 130 CD ARG A 9 38.192 -12.245 12.436 1.00 0.00 C ATOM 131 NE ARG A 9 36.773 -12.029 12.844 1.00 0.00 N ATOM 132 CZ ARG A 9 36.222 -10.853 12.699 1.00 0.00 C ATOM 133 NH1 ARG A 9 35.859 -10.445 11.510 1.00 0.00 N ATOM 134 NH2 ARG A 9 36.031 -10.088 13.742 1.00 0.00 N ATOM 0 H ARG A 9 40.460 -10.983 9.814 1.00 0.00 H new ATOM 0 HA ARG A 9 40.576 -13.675 11.025 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.696 -11.681 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 9 38.396 -13.201 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.093 -13.534 11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 9 38.606 -14.218 11.650 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.794 -12.596 13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 9 38.646 -11.319 12.083 1.00 0.00 H new ATOM 0 HE ARG A 9 36.233 -12.800 13.236 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.006 -11.045 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 9 35.429 -9.527 11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 9 36.312 -10.409 14.668 1.00 0.00 H new ATOM 0 HH22 ARG A 9 35.601 -9.170 13.629 1.00 0.00 H new ATOM 148 N PRO A 10 41.070 -15.175 9.162 1.00 0.00 N ATOM 149 CA PRO A 10 41.497 -16.084 8.063 1.00 0.00 C ATOM 150 C PRO A 10 40.299 -16.471 7.183 1.00 0.00 C ATOM 151 O PRO A 10 39.230 -16.767 7.683 1.00 0.00 O ATOM 152 CB PRO A 10 42.048 -17.302 8.800 1.00 0.00 C ATOM 153 CG PRO A 10 41.369 -17.293 10.132 1.00 0.00 C ATOM 154 CD PRO A 10 41.063 -15.855 10.465 1.00 0.00 C ATOM 0 HA PRO A 10 42.227 -15.630 7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 10 41.835 -18.222 8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 10 43.131 -17.240 8.909 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.454 -17.884 10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 10 42.010 -17.737 10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 10 40.097 -15.758 10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 10 41.810 -15.434 11.138 1.00 0.00 H new ATOM 162 N ILE A 11 40.486 -16.466 5.878 1.00 0.00 N ATOM 163 CA ILE A 11 39.385 -16.827 4.917 1.00 0.00 C ATOM 164 C ILE A 11 38.249 -15.789 4.973 1.00 0.00 C ATOM 165 O ILE A 11 37.781 -15.438 6.039 1.00 0.00 O ATOM 166 CB ILE A 11 38.877 -18.217 5.341 1.00 0.00 C ATOM 167 CG1 ILE A 11 40.031 -19.226 5.296 1.00 0.00 C ATOM 168 CG2 ILE A 11 37.773 -18.674 4.383 1.00 0.00 C ATOM 169 CD1 ILE A 11 39.696 -20.429 6.182 1.00 0.00 C ATOM 0 H ILE A 11 41.370 -16.223 5.432 1.00 0.00 H new ATOM 0 HA ILE A 11 39.749 -16.839 3.890 1.00 0.00 H new ATOM 0 HB ILE A 11 38.483 -18.159 6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 11 40.202 -19.553 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.953 -18.755 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 11 37.414 -19.658 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 11 36.948 -17.962 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 11 38.170 -18.727 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 11 40.517 -21.145 6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 11 39.547 -20.095 7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.785 -20.905 5.820 1.00 0.00 H new ATOM 181 N PRO A 12 37.839 -15.331 3.810 1.00 0.00 N ATOM 182 CA PRO A 12 36.745 -14.326 3.728 1.00 0.00 C ATOM 183 C PRO A 12 35.385 -14.985 4.013 1.00 0.00 C ATOM 184 O PRO A 12 34.590 -15.211 3.119 1.00 0.00 O ATOM 185 CB PRO A 12 36.826 -13.826 2.286 1.00 0.00 C ATOM 186 CG PRO A 12 37.468 -14.940 1.520 1.00 0.00 C ATOM 187 CD PRO A 12 38.347 -15.700 2.481 1.00 0.00 C ATOM 0 HA PRO A 12 36.844 -13.521 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 12 35.836 -13.597 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.415 -12.911 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.711 -15.597 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.056 -14.547 0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.281 -16.775 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.395 -15.423 2.365 1.00 0.00 H new ATOM 195 N ARG A 13 35.117 -15.293 5.259 1.00 0.00 N ATOM 196 CA ARG A 13 33.818 -15.936 5.619 1.00 0.00 C ATOM 197 C ARG A 13 32.743 -14.866 5.858 1.00 0.00 C ATOM 198 O ARG A 13 32.973 -13.909 6.576 1.00 0.00 O ATOM 199 CB ARG A 13 34.101 -16.714 6.911 1.00 0.00 C ATOM 200 CG ARG A 13 33.690 -18.179 6.733 1.00 0.00 C ATOM 201 CD ARG A 13 34.861 -18.975 6.145 1.00 0.00 C ATOM 202 NE ARG A 13 34.748 -20.339 6.743 1.00 0.00 N ATOM 203 CZ ARG A 13 35.812 -21.085 6.874 1.00 0.00 C ATOM 204 NH1 ARG A 13 36.678 -20.825 7.819 1.00 0.00 N ATOM 205 NH2 ARG A 13 36.010 -22.089 6.059 1.00 0.00 N ATOM 0 H ARG A 13 35.746 -15.125 6.044 1.00 0.00 H new ATOM 0 HA ARG A 13 33.447 -16.586 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.160 -16.651 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.552 -16.271 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.394 -18.603 7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 13 32.824 -18.247 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 13 34.802 -19.016 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.816 -18.513 6.396 1.00 0.00 H new ATOM 0 HE ARG A 13 33.840 -20.688 7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 13 36.522 -20.041 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 13 37.510 -21.407 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 13 35.334 -22.289 5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.841 -22.672 6.161 1.00 0.00 H new ATOM 219 N PRO A 14 31.597 -15.063 5.244 1.00 0.00 N ATOM 220 CA PRO A 14 30.471 -14.102 5.392 1.00 0.00 C ATOM 221 C PRO A 14 29.850 -14.199 6.795 1.00 0.00 C ATOM 222 O PRO A 14 29.810 -15.265 7.381 1.00 0.00 O ATOM 223 CB PRO A 14 29.476 -14.551 4.324 1.00 0.00 C ATOM 224 CG PRO A 14 29.778 -15.998 4.097 1.00 0.00 C ATOM 225 CD PRO A 14 31.248 -16.186 4.364 1.00 0.00 C ATOM 0 HA PRO A 14 30.780 -13.063 5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 14 28.448 -14.410 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 14 29.595 -13.974 3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 14 29.182 -16.625 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 14 29.531 -16.288 3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 14 31.447 -17.145 4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 14 31.827 -16.164 3.441 1.00 0.00 H new ATOM 233 N PRO A 15 29.381 -13.075 7.287 1.00 0.00 N ATOM 234 CA PRO A 15 28.752 -13.031 8.634 1.00 0.00 C ATOM 235 C PRO A 15 27.356 -13.677 8.603 1.00 0.00 C ATOM 236 O PRO A 15 26.662 -13.601 7.605 1.00 0.00 O ATOM 237 CB PRO A 15 28.656 -11.538 8.936 1.00 0.00 C ATOM 238 CG PRO A 15 28.636 -10.869 7.600 1.00 0.00 C ATOM 239 CD PRO A 15 29.395 -11.752 6.644 1.00 0.00 C ATOM 0 HA PRO A 15 29.318 -13.578 9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.755 -11.308 9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 15 29.504 -11.201 9.532 1.00 0.00 H new ATOM 0 HG2 PRO A 15 27.611 -10.725 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.095 -9.882 7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 15 28.918 -11.780 5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 15 30.413 -11.393 6.493 1.00 0.00 H new ATOM 247 N PRO A 16 26.991 -14.295 9.703 1.00 0.00 N ATOM 248 CA PRO A 16 25.665 -14.962 9.804 1.00 0.00 C ATOM 249 C PRO A 16 24.542 -13.919 9.921 1.00 0.00 C ATOM 250 O PRO A 16 24.170 -13.508 11.005 1.00 0.00 O ATOM 251 CB PRO A 16 25.781 -15.797 11.079 1.00 0.00 C ATOM 252 CG PRO A 16 26.826 -15.112 11.900 1.00 0.00 C ATOM 253 CD PRO A 16 27.769 -14.430 10.943 1.00 0.00 C ATOM 0 HA PRO A 16 25.419 -15.565 8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 16 24.830 -15.841 11.609 1.00 0.00 H new ATOM 0 HB3 PRO A 16 26.068 -16.824 10.853 1.00 0.00 H new ATOM 0 HG2 PRO A 16 26.371 -14.386 12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 16 27.361 -15.831 12.520 1.00 0.00 H new ATOM 0 HD2 PRO A 16 28.086 -13.458 11.322 1.00 0.00 H new ATOM 0 HD3 PRO A 16 28.671 -15.021 10.784 1.00 0.00 H new ATOM 261 N PHE A 17 24.000 -13.491 8.806 1.00 0.00 N ATOM 262 CA PHE A 17 22.901 -12.479 8.839 1.00 0.00 C ATOM 263 C PHE A 17 21.581 -13.133 9.256 1.00 0.00 C ATOM 264 O PHE A 17 21.366 -14.313 9.054 1.00 0.00 O ATOM 265 CB PHE A 17 22.807 -11.941 7.409 1.00 0.00 C ATOM 266 CG PHE A 17 22.046 -10.633 7.401 1.00 0.00 C ATOM 267 CD1 PHE A 17 22.642 -9.472 7.908 1.00 0.00 C ATOM 268 CD2 PHE A 17 20.746 -10.583 6.883 1.00 0.00 C ATOM 269 CE1 PHE A 17 21.938 -8.262 7.898 1.00 0.00 C ATOM 270 CE2 PHE A 17 20.042 -9.373 6.874 1.00 0.00 C ATOM 271 CZ PHE A 17 20.638 -8.213 7.381 1.00 0.00 C ATOM 0 H PHE A 17 24.273 -13.801 7.873 1.00 0.00 H new ATOM 0 HA PHE A 17 23.099 -11.686 9.560 1.00 0.00 H new ATOM 0 HB2 PHE A 17 23.807 -11.793 7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 17 22.306 -12.668 6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 17 23.645 -9.510 8.307 1.00 0.00 H new ATOM 0 HD2 PHE A 17 20.286 -11.478 6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 17 22.398 -7.366 8.289 1.00 0.00 H new ATOM 0 HE2 PHE A 17 19.039 -9.335 6.476 1.00 0.00 H new ATOM 0 HZ PHE A 17 20.095 -7.280 7.373 1.00 0.00 H new ATOM 281 N VAL A 18 20.697 -12.365 9.834 1.00 0.00 N ATOM 282 CA VAL A 18 19.379 -12.923 10.272 1.00 0.00 C ATOM 283 C VAL A 18 18.429 -13.038 9.073 1.00 0.00 C ATOM 284 O VAL A 18 18.432 -12.207 8.183 1.00 0.00 O ATOM 285 CB VAL A 18 18.833 -11.924 11.301 1.00 0.00 C ATOM 286 CG1 VAL A 18 17.449 -12.374 11.775 1.00 0.00 C ATOM 287 CG2 VAL A 18 19.781 -11.856 12.505 1.00 0.00 C ATOM 0 H VAL A 18 20.829 -11.371 10.024 1.00 0.00 H new ATOM 0 HA VAL A 18 19.478 -13.922 10.697 1.00 0.00 H new ATOM 0 HB VAL A 18 18.757 -10.940 10.838 1.00 0.00 H new ATOM 0 HG11 VAL A 18 17.065 -11.662 12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 18 16.770 -12.422 10.923 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.524 -13.360 12.234 1.00 0.00 H new ATOM 0 HG21 VAL A 18 19.392 -11.146 13.235 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.858 -12.842 12.963 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.767 -11.532 12.174 1.00 0.00 H new ATOM 297 N ARG A 19 17.616 -14.063 9.049 1.00 0.00 N ATOM 298 CA ARG A 19 16.658 -14.246 7.917 1.00 0.00 C ATOM 299 C ARG A 19 15.218 -14.021 8.405 1.00 0.00 C ATOM 300 O ARG A 19 14.621 -14.902 8.992 1.00 0.00 O ATOM 301 CB ARG A 19 16.858 -15.696 7.461 1.00 0.00 C ATOM 302 CG ARG A 19 16.173 -15.914 6.108 1.00 0.00 C ATOM 303 CD ARG A 19 17.102 -15.452 4.979 1.00 0.00 C ATOM 304 NE ARG A 19 16.370 -14.347 4.292 1.00 0.00 N ATOM 305 CZ ARG A 19 16.945 -13.692 3.318 1.00 0.00 C ATOM 306 NH1 ARG A 19 17.697 -12.656 3.583 1.00 0.00 N ATOM 307 NH2 ARG A 19 16.766 -14.074 2.081 1.00 0.00 N ATOM 0 H ARG A 19 17.574 -14.785 9.769 1.00 0.00 H new ATOM 0 HA ARG A 19 16.831 -13.539 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.922 -15.918 7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.445 -16.380 8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.925 -16.968 5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.235 -15.360 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.057 -15.105 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.319 -16.268 4.290 1.00 0.00 H new ATOM 0 HE ARG A 19 15.423 -14.104 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.835 -12.359 4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.146 -12.144 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.178 -14.882 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.214 -13.564 1.320 1.00 0.00 H new ATOM 321 N PRO A 20 14.707 -12.837 8.145 1.00 0.00 N ATOM 322 CA PRO A 20 13.322 -12.495 8.568 1.00 0.00 C ATOM 323 C PRO A 20 12.288 -13.239 7.711 1.00 0.00 C ATOM 324 O PRO A 20 12.631 -14.010 6.834 1.00 0.00 O ATOM 325 CB PRO A 20 13.240 -10.987 8.337 1.00 0.00 C ATOM 326 CG PRO A 20 14.264 -10.700 7.285 1.00 0.00 C ATOM 327 CD PRO A 20 15.358 -11.721 7.446 1.00 0.00 C ATOM 0 HA PRO A 20 13.111 -12.778 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.243 -10.692 8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.450 -10.435 9.253 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.823 -10.761 6.290 1.00 0.00 H new ATOM 0 HG3 PRO A 20 14.659 -9.690 7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.757 -12.033 6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 20 16.193 -11.323 8.022 1.00 0.00 H new ATOM 335 N LEU A 21 11.025 -13.009 7.960 1.00 0.00 N ATOM 336 CA LEU A 21 9.962 -13.697 7.166 1.00 0.00 C ATOM 337 C LEU A 21 8.826 -12.716 6.839 1.00 0.00 C ATOM 338 O LEU A 21 7.978 -12.451 7.672 1.00 0.00 O ATOM 339 CB LEU A 21 9.465 -14.835 8.068 1.00 0.00 C ATOM 340 CG LEU A 21 9.146 -16.077 7.223 1.00 0.00 C ATOM 341 CD1 LEU A 21 8.013 -15.760 6.242 1.00 0.00 C ATOM 342 CD2 LEU A 21 10.392 -16.508 6.442 1.00 0.00 C ATOM 0 H LEU A 21 10.683 -12.373 8.680 1.00 0.00 H new ATOM 0 HA LEU A 21 10.333 -14.073 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.223 -15.077 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.575 -14.517 8.611 1.00 0.00 H new ATOM 0 HG LEU A 21 8.836 -16.886 7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.791 -16.644 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.123 -15.464 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.318 -14.946 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.160 -17.390 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.708 -15.697 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.195 -16.744 7.140 1.00 0.00 H new ATOM 354 N PRO A 22 8.848 -12.205 5.630 1.00 0.00 N ATOM 355 CA PRO A 22 7.806 -11.243 5.187 1.00 0.00 C ATOM 356 C PRO A 22 6.485 -11.970 4.890 1.00 0.00 C ATOM 357 O PRO A 22 6.464 -13.162 4.644 1.00 0.00 O ATOM 358 CB PRO A 22 8.391 -10.641 3.913 1.00 0.00 C ATOM 359 CG PRO A 22 9.343 -11.672 3.392 1.00 0.00 C ATOM 360 CD PRO A 22 9.835 -12.471 4.573 1.00 0.00 C ATOM 0 HA PRO A 22 7.573 -10.492 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.609 -10.424 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.903 -9.702 4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.848 -12.321 2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.177 -11.198 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.890 -13.534 4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.835 -12.159 4.875 1.00 0.00 H new ATOM 368 N GLY A 23 5.386 -11.255 4.907 1.00 0.00 N ATOM 369 CA GLY A 23 4.065 -11.891 4.624 1.00 0.00 C ATOM 370 C GLY A 23 3.741 -11.745 3.135 1.00 0.00 C ATOM 371 O GLY A 23 4.104 -12.580 2.330 1.00 0.00 O ATOM 0 H GLY A 23 5.349 -10.255 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.089 -12.945 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.286 -11.421 5.225 1.00 0.00 H new ATOM 375 N GLY A 24 3.062 -10.686 2.765 1.00 0.00 N ATOM 376 CA GLY A 24 2.715 -10.479 1.327 1.00 0.00 C ATOM 377 C GLY A 24 1.357 -11.124 1.025 1.00 0.00 C ATOM 378 O GLY A 24 1.276 -12.320 0.823 1.00 0.00 O ATOM 0 H GLY A 24 2.734 -9.957 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.681 -9.413 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.485 -10.915 0.691 1.00 0.00 H new ATOM 382 N PRO A 25 0.329 -10.306 1.003 1.00 0.00 N ATOM 383 CA PRO A 25 -1.042 -10.810 0.718 1.00 0.00 C ATOM 384 C PRO A 25 -1.184 -11.181 -0.765 1.00 0.00 C ATOM 385 O PRO A 25 -0.566 -10.579 -1.625 1.00 0.00 O ATOM 386 CB PRO A 25 -1.940 -9.628 1.075 1.00 0.00 C ATOM 387 CG PRO A 25 -1.069 -8.421 0.934 1.00 0.00 C ATOM 388 CD PRO A 25 0.342 -8.854 1.237 1.00 0.00 C ATOM 0 HA PRO A 25 -1.291 -11.712 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.802 -9.572 0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.326 -9.719 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.138 -8.012 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.386 -7.635 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.061 -8.352 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.620 -8.618 2.264 1.00 0.00 H new ATOM 396 N ILE A 26 -1.993 -12.166 -1.069 1.00 0.00 N ATOM 397 CA ILE A 26 -2.177 -12.579 -2.494 1.00 0.00 C ATOM 398 C ILE A 26 -3.549 -12.126 -3.004 1.00 0.00 C ATOM 399 O ILE A 26 -4.553 -12.274 -2.333 1.00 0.00 O ATOM 400 CB ILE A 26 -2.082 -14.110 -2.493 1.00 0.00 C ATOM 401 CG1 ILE A 26 -0.733 -14.549 -1.909 1.00 0.00 C ATOM 402 CG2 ILE A 26 -2.203 -14.632 -3.928 1.00 0.00 C ATOM 403 CD1 ILE A 26 -0.959 -15.634 -0.855 1.00 0.00 C ATOM 0 H ILE A 26 -2.534 -12.702 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.429 -12.130 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.890 -14.516 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.088 -14.927 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.223 -13.695 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.135 -15.720 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.163 -14.329 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.397 -14.219 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.000 -15.945 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.588 -15.240 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.450 -16.491 -1.315 1.00 0.00 H new ATOM 415 N GLY A 27 -3.594 -11.579 -4.192 1.00 0.00 N ATOM 416 CA GLY A 27 -4.895 -11.115 -4.765 1.00 0.00 C ATOM 417 C GLY A 27 -5.248 -9.732 -4.203 1.00 0.00 C ATOM 418 O GLY A 27 -6.002 -9.627 -3.255 1.00 0.00 O ATOM 0 H GLY A 27 -2.783 -11.433 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.828 -11.069 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.684 -11.828 -4.524 1.00 0.00 H new ATOM 422 N PRO A 28 -4.689 -8.711 -4.813 1.00 0.00 N ATOM 423 CA PRO A 28 -4.951 -7.316 -4.367 1.00 0.00 C ATOM 424 C PRO A 28 -6.370 -6.880 -4.758 1.00 0.00 C ATOM 425 O PRO A 28 -7.084 -6.290 -3.970 1.00 0.00 O ATOM 426 CB PRO A 28 -3.896 -6.497 -5.109 1.00 0.00 C ATOM 427 CG PRO A 28 -3.547 -7.308 -6.316 1.00 0.00 C ATOM 428 CD PRO A 28 -3.774 -8.758 -5.963 1.00 0.00 C ATOM 0 HA PRO A 28 -4.891 -7.194 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.284 -5.518 -5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.020 -6.325 -4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.165 -7.018 -7.166 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.509 -7.141 -6.605 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.211 -9.307 -6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.839 -9.257 -5.708 1.00 0.00 H new ATOM 436 N TYR A 29 -6.786 -7.176 -5.968 1.00 0.00 N ATOM 437 CA TYR A 29 -8.159 -6.791 -6.410 1.00 0.00 C ATOM 438 C TYR A 29 -9.126 -7.955 -6.154 1.00 0.00 C ATOM 439 O TYR A 29 -9.881 -8.356 -7.020 1.00 0.00 O ATOM 440 CB TYR A 29 -8.021 -6.502 -7.910 1.00 0.00 C ATOM 441 CG TYR A 29 -9.020 -5.448 -8.336 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.156 -4.264 -7.599 1.00 0.00 C ATOM 443 CD2 TYR A 29 -9.799 -5.651 -9.482 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.069 -3.285 -8.008 1.00 0.00 C ATOM 445 CE2 TYR A 29 -10.714 -4.673 -9.889 1.00 0.00 C ATOM 446 CZ TYR A 29 -10.849 -3.491 -9.152 1.00 0.00 C ATOM 447 OH TYR A 29 -11.749 -2.525 -9.557 1.00 0.00 O ATOM 0 H TYR A 29 -6.230 -7.669 -6.667 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.554 -5.929 -5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.009 -6.163 -8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.182 -7.417 -8.480 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.556 -4.107 -6.715 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.694 -6.562 -10.052 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.172 -2.371 -7.441 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.316 -4.831 -10.772 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.208 -2.826 -10.369 1.00 0.00 H new ATOM 457 N ASN A 30 -9.099 -8.500 -4.964 1.00 0.00 N ATOM 458 CA ASN A 30 -10.000 -9.642 -4.631 1.00 0.00 C ATOM 459 C ASN A 30 -10.605 -9.457 -3.232 1.00 0.00 C ATOM 460 O ASN A 30 -10.760 -10.404 -2.482 1.00 0.00 O ATOM 461 CB ASN A 30 -9.093 -10.879 -4.674 1.00 0.00 C ATOM 462 CG ASN A 30 -9.492 -11.770 -5.852 1.00 0.00 C ATOM 463 OD1 ASN A 30 -10.091 -12.810 -5.664 1.00 0.00 O ATOM 464 ND2 ASN A 30 -9.187 -11.407 -7.068 1.00 0.00 N ATOM 0 H ASN A 30 -8.487 -8.200 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.839 -9.725 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.051 -10.575 -4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.176 -11.435 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.452 -11.996 -7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.684 -10.534 -7.229 1.00 0.00 H new ATOM 471 N GLY A 31 -10.953 -8.246 -2.876 1.00 0.00 N ATOM 472 CA GLY A 31 -11.549 -8.000 -1.529 1.00 0.00 C ATOM 473 C GLY A 31 -12.541 -6.835 -1.594 1.00 0.00 C ATOM 474 O GLY A 31 -12.584 -6.001 -0.709 1.00 0.00 O ATOM 0 H GLY A 31 -10.850 -7.417 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.055 -8.899 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.761 -7.776 -0.810 1.00 0.00 H new ATOM 478 N CYS A 32 -13.342 -6.773 -2.632 1.00 0.00 N ATOM 479 CA CYS A 32 -14.339 -5.666 -2.761 1.00 0.00 C ATOM 480 C CYS A 32 -15.255 -5.919 -3.967 1.00 0.00 C ATOM 481 O CYS A 32 -14.804 -5.871 -5.097 1.00 0.00 O ATOM 482 CB CYS A 32 -13.512 -4.394 -2.986 1.00 0.00 C ATOM 483 SG CYS A 32 -14.579 -2.948 -2.771 1.00 0.00 S ATOM 0 H CYS A 32 -13.347 -7.446 -3.398 1.00 0.00 H new ATOM 0 HA CYS A 32 -14.974 -5.587 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.681 -4.356 -2.282 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -13.081 -4.398 -3.987 1.00 0.00 H new ATOM 488 N PRO A 33 -16.515 -6.180 -3.697 1.00 0.00 N ATOM 489 CA PRO A 33 -17.485 -6.433 -4.793 1.00 0.00 C ATOM 490 C PRO A 33 -17.807 -5.126 -5.531 1.00 0.00 C ATOM 491 O PRO A 33 -18.127 -4.122 -4.922 1.00 0.00 O ATOM 492 CB PRO A 33 -18.715 -6.975 -4.068 1.00 0.00 C ATOM 493 CG PRO A 33 -18.615 -6.440 -2.676 1.00 0.00 C ATOM 494 CD PRO A 33 -17.150 -6.266 -2.371 1.00 0.00 C ATOM 0 HA PRO A 33 -17.111 -7.122 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.635 -6.645 -4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.726 -8.065 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.142 -5.489 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.077 -7.126 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.969 -5.366 -1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.760 -7.106 -1.796 1.00 0.00 H new ATOM 502 N VAL A 34 -17.712 -5.132 -6.840 1.00 0.00 N ATOM 503 CA VAL A 34 -18.002 -3.890 -7.631 1.00 0.00 C ATOM 504 C VAL A 34 -19.464 -3.451 -7.444 1.00 0.00 C ATOM 505 O VAL A 34 -19.780 -2.278 -7.538 1.00 0.00 O ATOM 506 CB VAL A 34 -17.729 -4.270 -9.094 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.153 -3.123 -10.016 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.233 -4.538 -9.281 1.00 0.00 C ATOM 0 H VAL A 34 -17.446 -5.944 -7.397 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.386 -3.051 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.299 -5.165 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.957 -3.398 -11.052 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.218 -2.927 -9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.586 -2.226 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.039 -4.808 -10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.668 -3.641 -9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.926 -5.356 -8.630 1.00 0.00 H new ATOM 518 N SER A 35 -20.356 -4.378 -7.179 1.00 0.00 N ATOM 519 CA SER A 35 -21.795 -4.010 -6.983 1.00 0.00 C ATOM 520 C SER A 35 -22.006 -3.260 -5.655 1.00 0.00 C ATOM 521 O SER A 35 -23.055 -2.687 -5.429 1.00 0.00 O ATOM 522 CB SER A 35 -22.548 -5.344 -6.967 1.00 0.00 C ATOM 523 OG SER A 35 -23.877 -5.142 -7.437 1.00 0.00 O ATOM 0 H SER A 35 -20.149 -5.373 -7.090 1.00 0.00 H new ATOM 0 HA SER A 35 -22.147 -3.343 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.035 -6.072 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.566 -5.752 -5.956 1.00 0.00 H new ATOM 0 HG SER A 35 -24.360 -5.995 -7.429 1.00 0.00 H new ATOM 529 N CYS A 36 -21.021 -3.262 -4.775 1.00 0.00 N ATOM 530 CA CYS A 36 -21.158 -2.556 -3.456 1.00 0.00 C ATOM 531 C CYS A 36 -22.400 -3.053 -2.694 1.00 0.00 C ATOM 532 O CYS A 36 -22.991 -2.326 -1.915 1.00 0.00 O ATOM 533 CB CYS A 36 -21.288 -1.064 -3.793 1.00 0.00 C ATOM 534 SG CYS A 36 -19.651 -0.348 -4.108 1.00 0.00 S ATOM 0 H CYS A 36 -20.124 -3.726 -4.918 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.301 -2.748 -2.811 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -21.924 -0.936 -4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.771 -0.538 -2.969 1.00 0.00 H new ATOM 539 N ARG A 37 -22.793 -4.286 -2.905 1.00 0.00 N ATOM 540 CA ARG A 37 -23.986 -4.830 -2.190 1.00 0.00 C ATOM 541 C ARG A 37 -23.621 -6.129 -1.464 1.00 0.00 C ATOM 542 O ARG A 37 -22.720 -6.843 -1.865 1.00 0.00 O ATOM 543 CB ARG A 37 -25.031 -5.097 -3.278 1.00 0.00 C ATOM 544 CG ARG A 37 -25.696 -3.780 -3.696 1.00 0.00 C ATOM 545 CD ARG A 37 -26.555 -3.242 -2.544 1.00 0.00 C ATOM 546 NE ARG A 37 -27.968 -3.460 -2.975 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.735 -4.279 -2.306 1.00 0.00 C ATOM 548 NH1 ARG A 37 -29.282 -3.891 -1.183 1.00 0.00 N ATOM 549 NH2 ARG A 37 -28.955 -5.485 -2.762 1.00 0.00 N ATOM 0 H ARG A 37 -22.337 -4.939 -3.543 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.360 -4.137 -1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.559 -5.566 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.784 -5.794 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.935 -3.048 -3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -26.314 -3.939 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.341 -3.769 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.356 -2.185 -2.365 1.00 0.00 H new ATOM 0 HE ARG A 37 -28.334 -2.970 -3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -29.110 -2.950 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -29.881 -4.530 -0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.528 -5.785 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -29.554 -6.126 -2.241 1.00 0.00 H new ATOM 563 N GLY A 38 -24.315 -6.434 -0.397 1.00 0.00 N ATOM 564 CA GLY A 38 -24.017 -7.682 0.370 1.00 0.00 C ATOM 565 C GLY A 38 -22.698 -7.521 1.136 1.00 0.00 C ATOM 566 O GLY A 38 -21.938 -8.461 1.274 1.00 0.00 O ATOM 0 H GLY A 38 -25.078 -5.870 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.828 -7.894 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.951 -8.531 -0.311 1.00 0.00 H new ATOM 570 N ILE A 39 -22.421 -6.341 1.639 1.00 0.00 N ATOM 571 CA ILE A 39 -21.156 -6.119 2.402 1.00 0.00 C ATOM 572 C ILE A 39 -21.462 -5.493 3.763 1.00 0.00 C ATOM 573 O ILE A 39 -22.480 -4.851 3.949 1.00 0.00 O ATOM 574 CB ILE A 39 -20.304 -5.162 1.551 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.974 -3.780 1.488 1.00 0.00 C ATOM 576 CG2 ILE A 39 -20.148 -5.723 0.134 1.00 0.00 C ATOM 577 CD1 ILE A 39 -20.204 -2.870 0.525 1.00 0.00 C ATOM 0 H ILE A 39 -23.021 -5.520 1.552 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.632 -7.057 2.587 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.320 -5.063 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -22.008 -3.882 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.000 -3.333 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.544 -5.040 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -19.658 -6.696 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -21.131 -5.833 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.685 -1.892 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.178 -2.756 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -20.201 -3.313 -0.471 1.00 0.00 H new ATOM 589 N SER A 40 -20.583 -5.667 4.711 1.00 0.00 N ATOM 590 CA SER A 40 -20.807 -5.076 6.059 1.00 0.00 C ATOM 591 C SER A 40 -20.372 -3.610 6.049 1.00 0.00 C ATOM 592 O SER A 40 -19.606 -3.191 5.201 1.00 0.00 O ATOM 593 CB SER A 40 -19.924 -5.888 7.008 1.00 0.00 C ATOM 594 OG SER A 40 -20.066 -7.273 6.720 1.00 0.00 O ATOM 0 H SER A 40 -19.716 -6.195 4.609 1.00 0.00 H new ATOM 0 HA SER A 40 -21.854 -5.108 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.882 -5.588 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.205 -5.690 8.042 1.00 0.00 H new ATOM 0 HG SER A 40 -19.499 -7.793 7.327 1.00 0.00 H new ATOM 600 N PHE A 41 -20.843 -2.828 6.987 1.00 0.00 N ATOM 601 CA PHE A 41 -20.436 -1.389 7.030 1.00 0.00 C ATOM 602 C PHE A 41 -18.910 -1.291 7.147 1.00 0.00 C ATOM 603 O PHE A 41 -18.283 -0.478 6.498 1.00 0.00 O ATOM 604 CB PHE A 41 -21.114 -0.807 8.274 1.00 0.00 C ATOM 605 CG PHE A 41 -21.098 0.704 8.201 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.007 1.377 7.374 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.175 1.431 8.963 1.00 0.00 C ATOM 608 CE1 PHE A 41 -21.991 2.776 7.309 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.160 2.829 8.897 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.068 3.502 8.071 1.00 0.00 C ATOM 0 H PHE A 41 -21.488 -3.120 7.721 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.729 -0.847 6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.141 -1.167 8.343 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -20.597 -1.143 9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.720 0.817 6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.475 0.913 9.602 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.691 3.295 6.671 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.447 3.389 9.484 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.056 4.581 8.022 1.00 0.00 H new ATOM 620 N SER A 42 -18.313 -2.129 7.963 1.00 0.00 N ATOM 621 CA SER A 42 -16.827 -2.103 8.116 1.00 0.00 C ATOM 622 C SER A 42 -16.154 -2.562 6.817 1.00 0.00 C ATOM 623 O SER A 42 -15.125 -2.042 6.430 1.00 0.00 O ATOM 624 CB SER A 42 -16.516 -3.079 9.253 1.00 0.00 C ATOM 625 OG SER A 42 -15.273 -2.729 9.850 1.00 0.00 O ATOM 0 H SER A 42 -18.793 -2.829 8.529 1.00 0.00 H new ATOM 0 HA SER A 42 -16.457 -1.101 8.333 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.311 -3.051 9.999 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.474 -4.099 8.870 1.00 0.00 H new ATOM 0 HG SER A 42 -15.073 -3.352 10.579 1.00 0.00 H new ATOM 631 N GLN A 43 -16.735 -3.522 6.134 1.00 0.00 N ATOM 632 CA GLN A 43 -16.133 -4.001 4.854 1.00 0.00 C ATOM 633 C GLN A 43 -16.179 -2.880 3.810 1.00 0.00 C ATOM 634 O GLN A 43 -15.228 -2.661 3.083 1.00 0.00 O ATOM 635 CB GLN A 43 -17.002 -5.185 4.413 1.00 0.00 C ATOM 636 CG GLN A 43 -16.158 -6.165 3.593 1.00 0.00 C ATOM 637 CD GLN A 43 -17.023 -7.351 3.156 1.00 0.00 C ATOM 638 OE1 GLN A 43 -18.114 -7.171 2.655 1.00 0.00 O ATOM 639 NE2 GLN A 43 -16.577 -8.568 3.323 1.00 0.00 N ATOM 0 H GLN A 43 -17.598 -3.991 6.409 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.089 -4.293 4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.417 -5.689 5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.844 -4.830 3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.746 -5.662 2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.314 -6.517 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.661 -8.722 3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.145 -9.364 3.033 1.00 0.00 H new ATOM 648 N ALA A 44 -17.279 -2.166 3.743 1.00 0.00 N ATOM 649 CA ALA A 44 -17.398 -1.048 2.757 1.00 0.00 C ATOM 650 C ALA A 44 -16.452 0.099 3.134 1.00 0.00 C ATOM 651 O ALA A 44 -15.908 0.771 2.277 1.00 0.00 O ATOM 652 CB ALA A 44 -18.859 -0.599 2.842 1.00 0.00 C ATOM 0 H ALA A 44 -18.100 -2.311 4.331 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.127 -1.356 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.028 0.222 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.512 -1.433 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.079 -0.266 3.856 1.00 0.00 H new ATOM 658 N ARG A 45 -16.247 0.321 4.411 1.00 0.00 N ATOM 659 CA ARG A 45 -15.327 1.415 4.848 1.00 0.00 C ATOM 660 C ARG A 45 -13.876 1.057 4.496 1.00 0.00 C ATOM 661 O ARG A 45 -13.074 1.916 4.182 1.00 0.00 O ATOM 662 CB ARG A 45 -15.503 1.511 6.369 1.00 0.00 C ATOM 663 CG ARG A 45 -15.598 2.983 6.785 1.00 0.00 C ATOM 664 CD ARG A 45 -16.716 3.151 7.820 1.00 0.00 C ATOM 665 NE ARG A 45 -16.036 3.624 9.062 1.00 0.00 N ATOM 666 CZ ARG A 45 -16.673 4.401 9.896 1.00 0.00 C ATOM 667 NH1 ARG A 45 -17.372 3.877 10.869 1.00 0.00 N ATOM 668 NH2 ARG A 45 -16.608 5.699 9.758 1.00 0.00 N ATOM 0 H ARG A 45 -16.678 -0.209 5.168 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.552 2.361 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.403 0.978 6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.663 1.034 6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.648 3.316 7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.798 3.606 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.461 3.871 7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.238 2.210 7.992 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.076 3.341 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.419 2.864 10.975 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.871 4.482 11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.060 6.104 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.105 6.307 10.409 1.00 0.00 H new ATOM 682 N SER A 46 -13.538 -0.211 4.552 1.00 0.00 N ATOM 683 CA SER A 46 -12.145 -0.645 4.231 1.00 0.00 C ATOM 684 C SER A 46 -11.842 -0.466 2.737 1.00 0.00 C ATOM 685 O SER A 46 -10.798 0.036 2.369 1.00 0.00 O ATOM 686 CB SER A 46 -12.093 -2.126 4.613 1.00 0.00 C ATOM 687 OG SER A 46 -10.762 -2.474 4.971 1.00 0.00 O ATOM 0 H SER A 46 -14.174 -0.966 4.808 1.00 0.00 H new ATOM 0 HA SER A 46 -11.404 -0.053 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.769 -2.322 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.429 -2.741 3.778 1.00 0.00 H new ATOM 0 HG SER A 46 -10.727 -3.422 5.218 1.00 0.00 H new ATOM 693 N CYS A 47 -12.742 -0.882 1.874 1.00 0.00 N ATOM 694 CA CYS A 47 -12.493 -0.743 0.401 1.00 0.00 C ATOM 695 C CYS A 47 -12.532 0.727 -0.032 1.00 0.00 C ATOM 696 O CYS A 47 -11.837 1.122 -0.949 1.00 0.00 O ATOM 697 CB CYS A 47 -13.618 -1.519 -0.283 1.00 0.00 C ATOM 698 SG CYS A 47 -13.340 -1.516 -2.071 1.00 0.00 S ATOM 0 H CYS A 47 -13.634 -1.310 2.124 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.507 -1.124 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.650 -2.542 0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.582 -1.065 -0.052 1.00 0.00 H new ATOM 703 N CYS A 48 -13.340 1.537 0.605 1.00 0.00 N ATOM 704 CA CYS A 48 -13.416 2.977 0.206 1.00 0.00 C ATOM 705 C CYS A 48 -12.079 3.685 0.465 1.00 0.00 C ATOM 706 O CYS A 48 -11.623 4.475 -0.338 1.00 0.00 O ATOM 707 CB CYS A 48 -14.509 3.583 1.084 1.00 0.00 C ATOM 708 SG CYS A 48 -14.720 5.333 0.670 1.00 0.00 S ATOM 0 H CYS A 48 -13.947 1.267 1.379 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.633 3.087 -0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.447 3.048 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.245 3.477 2.136 1.00 0.00 H new ATOM 713 N SER A 49 -11.456 3.415 1.584 1.00 0.00 N ATOM 714 CA SER A 49 -10.157 4.082 1.901 1.00 0.00 C ATOM 715 C SER A 49 -8.979 3.374 1.216 1.00 0.00 C ATOM 716 O SER A 49 -7.948 3.973 0.974 1.00 0.00 O ATOM 717 CB SER A 49 -10.028 3.984 3.422 1.00 0.00 C ATOM 718 OG SER A 49 -8.867 4.688 3.842 1.00 0.00 O ATOM 0 H SER A 49 -11.791 2.761 2.292 1.00 0.00 H new ATOM 0 HA SER A 49 -10.138 5.112 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.914 4.402 3.901 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.964 2.939 3.726 1.00 0.00 H new ATOM 0 HG SER A 49 -8.783 4.628 4.817 1.00 0.00 H new ATOM 724 N ARG A 50 -9.114 2.110 0.914 1.00 0.00 N ATOM 725 CA ARG A 50 -7.988 1.374 0.261 1.00 0.00 C ATOM 726 C ARG A 50 -8.076 1.453 -1.270 1.00 0.00 C ATOM 727 O ARG A 50 -7.069 1.392 -1.950 1.00 0.00 O ATOM 728 CB ARG A 50 -8.135 -0.077 0.729 1.00 0.00 C ATOM 729 CG ARG A 50 -6.887 -0.877 0.335 1.00 0.00 C ATOM 730 CD ARG A 50 -5.831 -0.762 1.439 1.00 0.00 C ATOM 731 NE ARG A 50 -4.624 -0.198 0.768 1.00 0.00 N ATOM 732 CZ ARG A 50 -4.247 1.027 1.024 1.00 0.00 C ATOM 733 NH1 ARG A 50 -3.672 1.309 2.164 1.00 0.00 N ATOM 734 NH2 ARG A 50 -4.443 1.967 0.137 1.00 0.00 N ATOM 0 H ARG A 50 -9.952 1.555 1.090 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.024 1.804 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.272 -0.108 1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.022 -0.525 0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.149 -1.923 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.485 -0.503 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.173 -0.113 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.617 -1.735 1.882 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.093 -0.768 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.518 0.573 2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.378 2.265 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.889 1.744 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.150 2.924 0.334 1.00 0.00 H new ATOM 748 N LEU A 51 -9.262 1.563 -1.824 1.00 0.00 N ATOM 749 CA LEU A 51 -9.385 1.614 -3.318 1.00 0.00 C ATOM 750 C LEU A 51 -10.389 2.679 -3.794 1.00 0.00 C ATOM 751 O LEU A 51 -10.648 2.789 -4.979 1.00 0.00 O ATOM 752 CB LEU A 51 -9.882 0.218 -3.706 1.00 0.00 C ATOM 753 CG LEU A 51 -8.693 -0.736 -3.842 1.00 0.00 C ATOM 754 CD1 LEU A 51 -9.124 -2.149 -3.446 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.204 -0.742 -5.293 1.00 0.00 C ATOM 0 H LEU A 51 -10.142 1.619 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.434 1.883 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.574 -0.154 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.431 0.266 -4.646 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.887 -0.404 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.277 -2.828 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.471 -2.147 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.931 -2.480 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.357 -1.422 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.011 -1.073 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.896 0.264 -5.577 1.00 0.00 H new ATOM 767 N GLY A 52 -10.964 3.455 -2.904 1.00 0.00 N ATOM 768 CA GLY A 52 -11.952 4.489 -3.345 1.00 0.00 C ATOM 769 C GLY A 52 -13.193 3.798 -3.935 1.00 0.00 C ATOM 770 O GLY A 52 -13.863 4.343 -4.792 1.00 0.00 O ATOM 0 H GLY A 52 -10.793 3.417 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.239 5.116 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.500 5.145 -4.089 1.00 0.00 H new ATOM 774 N ARG A 53 -13.499 2.600 -3.488 1.00 0.00 N ATOM 775 CA ARG A 53 -14.685 1.868 -4.028 1.00 0.00 C ATOM 776 C ARG A 53 -15.706 1.603 -2.918 1.00 0.00 C ATOM 777 O ARG A 53 -15.352 1.409 -1.772 1.00 0.00 O ATOM 778 CB ARG A 53 -14.129 0.545 -4.562 1.00 0.00 C ATOM 779 CG ARG A 53 -13.609 0.743 -5.990 1.00 0.00 C ATOM 780 CD ARG A 53 -14.124 -0.386 -6.891 1.00 0.00 C ATOM 781 NE ARG A 53 -14.639 0.297 -8.114 1.00 0.00 N ATOM 782 CZ ARG A 53 -15.926 0.387 -8.324 1.00 0.00 C ATOM 783 NH1 ARG A 53 -16.701 0.921 -7.414 1.00 0.00 N ATOM 784 NH2 ARG A 53 -16.435 -0.053 -9.445 1.00 0.00 N ATOM 0 H ARG A 53 -12.975 2.099 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.198 2.441 -4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.325 0.191 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.907 -0.219 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.938 1.708 -6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.519 0.754 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.328 -1.088 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.911 -0.957 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.985 0.695 -8.788 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.300 1.266 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.705 0.992 -7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.828 -0.465 -10.153 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.439 0.016 -9.611 1.00 0.00 H new ATOM 798 N CYS A 54 -16.974 1.610 -3.262 1.00 0.00 N ATOM 799 CA CYS A 54 -18.061 1.376 -2.254 1.00 0.00 C ATOM 800 C CYS A 54 -17.971 2.447 -1.166 1.00 0.00 C ATOM 801 O CYS A 54 -17.970 2.166 0.018 1.00 0.00 O ATOM 802 CB CYS A 54 -17.820 -0.027 -1.675 1.00 0.00 C ATOM 803 SG CYS A 54 -18.402 -1.301 -2.833 1.00 0.00 S ATOM 0 H CYS A 54 -17.307 1.770 -4.213 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.056 1.436 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.758 -0.167 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.340 -0.128 -0.722 1.00 0.00 H new ATOM 808 N CYS A 55 -17.875 3.680 -1.584 1.00 0.00 N ATOM 809 CA CYS A 55 -17.757 4.809 -0.621 1.00 0.00 C ATOM 810 C CYS A 55 -19.132 5.403 -0.269 1.00 0.00 C ATOM 811 O CYS A 55 -19.267 6.113 0.709 1.00 0.00 O ATOM 812 CB CYS A 55 -16.900 5.837 -1.361 1.00 0.00 C ATOM 813 SG CYS A 55 -15.163 5.333 -1.299 1.00 0.00 S ATOM 0 H CYS A 55 -17.873 3.955 -2.566 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.323 4.494 0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.228 5.921 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -17.021 6.821 -0.907 1.00 0.00 H new ATOM 818 N HIS A 56 -20.151 5.125 -1.051 1.00 0.00 N ATOM 819 CA HIS A 56 -21.502 5.683 -0.750 1.00 0.00 C ATOM 820 C HIS A 56 -22.488 4.556 -0.402 1.00 0.00 C ATOM 821 O HIS A 56 -23.631 4.563 -0.825 1.00 0.00 O ATOM 822 CB HIS A 56 -21.924 6.404 -2.034 1.00 0.00 C ATOM 823 CG HIS A 56 -22.738 7.618 -1.684 1.00 0.00 C ATOM 824 ND1 HIS A 56 -22.160 8.862 -1.484 1.00 0.00 N ATOM 825 CD2 HIS A 56 -24.085 7.795 -1.493 1.00 0.00 C ATOM 826 CE1 HIS A 56 -23.149 9.724 -1.186 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.343 9.126 -1.178 1.00 0.00 N ATOM 0 H HIS A 56 -20.101 4.536 -1.882 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.490 6.354 0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -21.043 6.696 -2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.506 5.733 -2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.832 7.019 -1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -22.996 10.773 -0.978 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -25.249 9.553 -0.983 1.00 0.00 H new ATOM 835 N VAL A 57 -22.050 3.592 0.370 1.00 0.00 N ATOM 836 CA VAL A 57 -22.955 2.461 0.756 1.00 0.00 C ATOM 837 C VAL A 57 -23.938 2.922 1.841 1.00 0.00 C ATOM 838 O VAL A 57 -23.595 3.699 2.713 1.00 0.00 O ATOM 839 CB VAL A 57 -22.030 1.362 1.296 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.864 0.166 1.764 1.00 0.00 C ATOM 841 CG2 VAL A 57 -21.075 0.904 0.190 1.00 0.00 C ATOM 0 H VAL A 57 -21.105 3.538 0.750 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.549 2.105 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.458 1.759 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.203 -0.611 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.545 0.484 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.439 -0.227 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.419 0.124 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.651 0.512 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.475 1.750 -0.145 1.00 0.00 H new ATOM 851 N GLY A 58 -25.158 2.446 1.789 1.00 0.00 N ATOM 852 CA GLY A 58 -26.171 2.851 2.810 1.00 0.00 C ATOM 853 C GLY A 58 -26.925 4.096 2.329 1.00 0.00 C ATOM 854 O GLY A 58 -26.484 4.794 1.434 1.00 0.00 O ATOM 0 H GLY A 58 -25.496 1.793 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.872 2.035 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.680 3.057 3.761 1.00 0.00 H new ATOM 858 N LYS A 59 -28.061 4.381 2.918 1.00 0.00 N ATOM 859 CA LYS A 59 -28.848 5.580 2.498 1.00 0.00 C ATOM 860 C LYS A 59 -28.710 6.693 3.544 1.00 0.00 C ATOM 861 O LYS A 59 -29.036 6.513 4.704 1.00 0.00 O ATOM 862 CB LYS A 59 -30.304 5.104 2.402 1.00 0.00 C ATOM 863 CG LYS A 59 -30.416 3.931 1.415 1.00 0.00 C ATOM 864 CD LYS A 59 -29.865 4.335 0.042 1.00 0.00 C ATOM 865 CE LYS A 59 -30.858 5.266 -0.664 1.00 0.00 C ATOM 866 NZ LYS A 59 -30.047 6.007 -1.674 1.00 0.00 N ATOM 0 H LYS A 59 -28.477 3.834 3.672 1.00 0.00 H new ATOM 0 HA LYS A 59 -28.498 5.987 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -30.659 4.796 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.942 5.925 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -29.865 3.072 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -31.458 3.625 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.904 4.835 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.690 3.447 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -31.659 4.700 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -31.328 5.950 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -30.660 6.664 -2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -29.297 6.542 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -29.618 5.331 -2.338 1.00 0.00 H new ATOM 880 N GLY A 60 -28.223 7.840 3.138 1.00 0.00 N ATOM 881 CA GLY A 60 -28.048 8.971 4.098 1.00 0.00 C ATOM 882 C GLY A 60 -26.633 8.929 4.687 1.00 0.00 C ATOM 883 O GLY A 60 -25.878 8.004 4.448 1.00 0.00 O ATOM 0 H GLY A 60 -27.939 8.041 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -28.214 9.921 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -28.787 8.902 4.896 1.00 0.00 H new ATOM 887 N TYR A 61 -26.267 9.926 5.454 1.00 0.00 N ATOM 888 CA TYR A 61 -24.900 9.950 6.056 1.00 0.00 C ATOM 889 C TYR A 61 -24.801 8.938 7.207 1.00 0.00 C ATOM 890 O TYR A 61 -25.786 8.587 7.829 1.00 0.00 O ATOM 891 CB TYR A 61 -24.708 11.380 6.576 1.00 0.00 C ATOM 892 CG TYR A 61 -23.398 11.468 7.323 1.00 0.00 C ATOM 893 CD1 TYR A 61 -22.189 11.497 6.617 1.00 0.00 C ATOM 894 CD2 TYR A 61 -23.393 11.504 8.723 1.00 0.00 C ATOM 895 CE1 TYR A 61 -20.977 11.564 7.310 1.00 0.00 C ATOM 896 CE2 TYR A 61 -22.180 11.569 9.416 1.00 0.00 C ATOM 897 CZ TYR A 61 -20.972 11.598 8.709 1.00 0.00 C ATOM 898 OH TYR A 61 -19.775 11.658 9.391 1.00 0.00 O ATOM 0 H TYR A 61 -26.857 10.724 5.689 1.00 0.00 H new ATOM 0 HA TYR A 61 -24.133 9.678 5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -24.714 12.085 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -25.534 11.654 7.233 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -22.193 11.468 5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -24.326 11.482 9.267 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -20.044 11.590 6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -22.175 11.597 10.496 1.00 0.00 H new ATOM 0 HH TYR A 61 -19.948 11.676 10.355 1.00 0.00 H new ATOM 908 N SER A 62 -23.610 8.475 7.492 1.00 0.00 N ATOM 909 CA SER A 62 -23.420 7.490 8.598 1.00 0.00 C ATOM 910 C SER A 62 -22.090 7.749 9.316 1.00 0.00 C ATOM 911 O SER A 62 -21.212 8.412 8.796 1.00 0.00 O ATOM 912 CB SER A 62 -23.410 6.112 7.926 1.00 0.00 C ATOM 913 OG SER A 62 -22.783 6.200 6.649 1.00 0.00 O ATOM 0 H SER A 62 -22.756 8.740 7.002 1.00 0.00 H new ATOM 0 HA SER A 62 -24.208 7.564 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 62 -22.879 5.396 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 62 -24.430 5.744 7.815 1.00 0.00 H new ATOM 0 HG SER A 62 -22.095 5.506 6.574 1.00 0.00 H new ATOM 919 N GLY A 63 -21.939 7.228 10.508 1.00 0.00 N ATOM 920 CA GLY A 63 -20.672 7.438 11.268 1.00 0.00 C ATOM 921 C GLY A 63 -19.723 6.260 11.031 1.00 0.00 C ATOM 922 O GLY A 63 -19.544 5.886 9.883 1.00 0.00 O ATOM 923 OXT GLY A 63 -19.188 5.753 12.003 1.00 0.00 O ATOM 0 H GLY A 63 -22.641 6.665 10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.198 8.368 10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -20.887 7.535 12.332 1.00 0.00 H new TER 927 GLY A 63