USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 720 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 Set 1.1: A 14 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0658) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 4 SER OG : rot 86:sc= -0.819 USER MOD Single : A 9 THR OG1 : rot 89:sc= 0.659 USER MOD Single : A 15 GLN : amide:sc= 0.849 K(o=0.85,f=-8.1!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 47:sc= 0.167 USER MOD Single : A 40 SER OG : rot 49:sc= 0.0131 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 150:sc= -1.02 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.66 K(o=-2.7,f=-5.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 133:sc= 0.0158 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 -0.451 2.228 -6.505 1.00 3.23 N ATOM 38 CA PRO A 3 0.164 2.524 -7.802 1.00 41.41 C ATOM 39 C PRO A 3 -0.689 2.044 -8.971 1.00 60.11 C ATOM 40 O PRO A 3 -0.503 0.936 -9.474 1.00 24.24 O ATOM 41 CB PRO A 3 1.486 1.754 -7.752 1.00 72.04 C ATOM 42 CG PRO A 3 1.241 0.643 -6.790 1.00 51.23 C ATOM 43 CD PRO A 3 0.282 1.186 -5.767 1.00 22.22 C ATOM 0 HA PRO A 3 0.285 3.596 -7.961 1.00 41.41 H new ATOM 0 HB2 PRO A 3 1.760 1.373 -8.736 1.00 72.04 H new ATOM 0 HB3 PRO A 3 2.304 2.393 -7.419 1.00 72.04 H new ATOM 0 HG2 PRO A 3 0.821 -0.226 -7.296 1.00 51.23 H new ATOM 0 HG3 PRO A 3 2.171 0.320 -6.321 1.00 51.23 H new ATOM 0 HD2 PRO A 3 -0.388 0.412 -5.394 1.00 22.22 H new ATOM 0 HD3 PRO A 3 0.806 1.598 -4.904 1.00 22.22 H new ATOM 51 N SER A 4 -1.625 2.885 -9.400 1.00 21.23 N ATOM 52 CA SER A 4 -2.509 2.544 -10.508 1.00 72.00 C ATOM 53 C SER A 4 -3.406 1.364 -10.145 1.00 5.02 C ATOM 54 O SER A 4 -3.797 0.578 -11.008 1.00 22.12 O ATOM 55 CB SER A 4 -1.691 2.212 -11.757 1.00 60.24 C ATOM 56 OG SER A 4 -2.123 2.978 -12.868 1.00 42.24 O ATOM 0 H SER A 4 -1.790 3.807 -8.997 1.00 21.23 H new ATOM 0 HA SER A 4 -3.141 3.408 -10.715 1.00 72.00 H new ATOM 0 HB2 SER A 4 -0.635 2.406 -11.566 1.00 60.24 H new ATOM 0 HB3 SER A 4 -1.784 1.150 -11.985 1.00 60.24 H new ATOM 0 HG SER A 4 -1.666 3.845 -12.865 1.00 42.24 H new ATOM 62 N PHE A 5 -3.727 1.247 -8.861 1.00 31.33 N ATOM 63 CA PHE A 5 -4.576 0.163 -8.381 1.00 74.32 C ATOM 64 C PHE A 5 -4.008 -1.194 -8.787 1.00 40.13 C ATOM 65 O PHE A 5 -4.166 -1.629 -9.928 1.00 1.14 O ATOM 66 CB PHE A 5 -5.996 0.318 -8.930 1.00 14.13 C ATOM 67 CG PHE A 5 -7.057 0.281 -7.867 1.00 1.22 C ATOM 68 CD1 PHE A 5 -7.714 1.440 -7.484 1.00 61.45 C ATOM 69 CD2 PHE A 5 -7.396 -0.912 -7.250 1.00 14.15 C ATOM 70 CE1 PHE A 5 -8.691 1.409 -6.507 1.00 3.11 C ATOM 71 CE2 PHE A 5 -8.373 -0.949 -6.272 1.00 5.32 C ATOM 72 CZ PHE A 5 -9.020 0.213 -5.899 1.00 44.41 C ATOM 0 H PHE A 5 -3.412 1.890 -8.134 1.00 31.33 H new ATOM 0 HA PHE A 5 -4.606 0.214 -7.293 1.00 74.32 H new ATOM 0 HB2 PHE A 5 -6.067 1.262 -9.470 1.00 14.13 H new ATOM 0 HB3 PHE A 5 -6.187 -0.477 -9.651 1.00 14.13 H new ATOM 0 HD1 PHE A 5 -7.459 2.378 -7.955 1.00 61.45 H new ATOM 0 HD2 PHE A 5 -6.892 -1.823 -7.536 1.00 14.15 H new ATOM 0 HE1 PHE A 5 -9.197 2.319 -6.219 1.00 3.11 H new ATOM 0 HE2 PHE A 5 -8.630 -1.886 -5.800 1.00 5.32 H new ATOM 0 HZ PHE A 5 -9.782 0.187 -5.134 1.00 44.41 H new ATOM 82 N ALA A 6 -3.345 -1.857 -7.845 1.00 53.03 N ATOM 83 CA ALA A 6 -2.754 -3.164 -8.103 1.00 73.24 C ATOM 84 C ALA A 6 -1.649 -3.070 -9.149 1.00 43.14 C ATOM 85 O ALA A 6 -1.883 -3.210 -10.350 1.00 31.32 O ATOM 86 CB ALA A 6 -3.825 -4.148 -8.551 1.00 61.24 C ATOM 0 H ALA A 6 -3.204 -1.510 -6.896 1.00 53.03 H new ATOM 0 HA ALA A 6 -2.310 -3.524 -7.175 1.00 73.24 H new ATOM 0 HB1 ALA A 6 -3.370 -5.120 -8.740 1.00 61.24 H new ATOM 0 HB2 ALA A 6 -4.579 -4.246 -7.770 1.00 61.24 H new ATOM 0 HB3 ALA A 6 -4.295 -3.783 -9.464 1.00 61.24 H new ATOM 92 N PRO A 7 -0.414 -2.826 -8.686 1.00 1.20 N ATOM 93 CA PRO A 7 0.753 -2.707 -9.566 1.00 33.12 C ATOM 94 C PRO A 7 1.145 -4.041 -10.191 1.00 62.22 C ATOM 95 O PRO A 7 1.682 -4.920 -9.518 1.00 12.34 O ATOM 96 CB PRO A 7 1.856 -2.211 -8.627 1.00 73.43 C ATOM 97 CG PRO A 7 1.442 -2.681 -7.275 1.00 50.43 C ATOM 98 CD PRO A 7 -0.061 -2.647 -7.267 1.00 73.34 C ATOM 0 HA PRO A 7 0.562 -2.043 -10.409 1.00 33.12 H new ATOM 0 HB2 PRO A 7 2.827 -2.618 -8.907 1.00 73.43 H new ATOM 0 HB3 PRO A 7 1.944 -1.125 -8.659 1.00 73.43 H new ATOM 0 HG2 PRO A 7 1.811 -3.689 -7.082 1.00 50.43 H new ATOM 0 HG3 PRO A 7 1.851 -2.038 -6.496 1.00 50.43 H new ATOM 0 HD2 PRO A 7 -0.478 -3.440 -6.646 1.00 73.34 H new ATOM 0 HD3 PRO A 7 -0.440 -1.703 -6.875 1.00 73.34 H new ATOM 106 N GLY A 8 0.874 -4.186 -11.485 1.00 0.11 N ATOM 107 CA GLY A 8 1.206 -5.416 -12.179 1.00 62.14 C ATOM 108 C GLY A 8 -0.022 -6.144 -12.690 1.00 2.43 C ATOM 109 O GLY A 8 0.023 -7.346 -12.951 1.00 73.21 O ATOM 0 H GLY A 8 0.430 -3.473 -12.064 1.00 0.11 H new ATOM 0 HA2 GLY A 8 1.865 -5.190 -13.017 1.00 62.14 H new ATOM 0 HA3 GLY A 8 1.759 -6.071 -11.506 1.00 62.14 H new ATOM 113 N THR A 9 -1.124 -5.414 -12.831 1.00 51.22 N ATOM 114 CA THR A 9 -2.371 -5.997 -13.311 1.00 24.14 C ATOM 115 C THR A 9 -2.502 -5.849 -14.822 1.00 45.11 C ATOM 116 O THR A 9 -2.282 -4.769 -15.372 1.00 13.54 O ATOM 117 CB THR A 9 -3.592 -5.346 -12.635 1.00 11.13 C ATOM 118 OG1 THR A 9 -3.335 -5.154 -11.239 1.00 35.40 O ATOM 119 CG2 THR A 9 -4.833 -6.208 -12.814 1.00 1.52 C ATOM 0 H THR A 9 -1.178 -4.418 -12.620 1.00 51.22 H new ATOM 0 HA THR A 9 -2.344 -7.056 -13.054 1.00 24.14 H new ATOM 0 HB THR A 9 -3.769 -4.380 -13.107 1.00 11.13 H new ATOM 0 HG1 THR A 9 -2.918 -4.278 -11.101 1.00 35.40 H new ATOM 0 HG21 THR A 9 -5.683 -5.728 -12.328 1.00 1.52 H new ATOM 0 HG22 THR A 9 -5.043 -6.328 -13.877 1.00 1.52 H new ATOM 0 HG23 THR A 9 -4.664 -7.187 -12.365 1.00 1.52 H new ATOM 127 N LEU A 10 -2.860 -6.940 -15.490 1.00 15.22 N ATOM 128 CA LEU A 10 -3.022 -6.931 -16.940 1.00 24.04 C ATOM 129 C LEU A 10 -4.471 -6.653 -17.325 1.00 32.13 C ATOM 130 O LEU A 10 -5.386 -7.347 -16.882 1.00 33.33 O ATOM 131 CB LEU A 10 -2.572 -8.269 -17.531 1.00 14.54 C ATOM 132 CG LEU A 10 -2.159 -8.247 -19.003 1.00 32.04 C ATOM 133 CD1 LEU A 10 -1.484 -9.555 -19.387 1.00 11.53 C ATOM 134 CD2 LEU A 10 -3.367 -7.987 -19.892 1.00 5.23 C ATOM 0 H LEU A 10 -3.044 -7.842 -15.051 1.00 15.22 H new ATOM 0 HA LEU A 10 -2.399 -6.134 -17.346 1.00 24.04 H new ATOM 0 HB2 LEU A 10 -1.731 -8.638 -16.944 1.00 14.54 H new ATOM 0 HB3 LEU A 10 -3.383 -8.987 -17.413 1.00 14.54 H new ATOM 0 HG LEU A 10 -1.445 -7.437 -19.148 1.00 32.04 H new ATOM 0 HD11 LEU A 10 -1.197 -9.521 -20.438 1.00 11.53 H new ATOM 0 HD12 LEU A 10 -0.595 -9.700 -18.773 1.00 11.53 H new ATOM 0 HD13 LEU A 10 -2.175 -10.382 -19.226 1.00 11.53 H new ATOM 0 HD21 LEU A 10 -3.054 -7.975 -20.936 1.00 5.23 H new ATOM 0 HD22 LEU A 10 -4.105 -8.776 -19.743 1.00 5.23 H new ATOM 0 HD23 LEU A 10 -3.808 -7.024 -19.634 1.00 5.23 H new ATOM 146 N VAL A 11 -4.673 -5.634 -18.154 1.00 62.34 N ATOM 147 CA VAL A 11 -6.011 -5.267 -18.602 1.00 43.54 C ATOM 148 C VAL A 11 -6.047 -5.058 -20.112 1.00 44.32 C ATOM 149 O VAL A 11 -5.044 -5.253 -20.800 1.00 14.32 O ATOM 150 CB VAL A 11 -6.503 -3.984 -17.906 1.00 41.10 C ATOM 151 CG1 VAL A 11 -6.685 -4.222 -16.415 1.00 20.12 C ATOM 152 CG2 VAL A 11 -5.535 -2.837 -18.157 1.00 34.11 C ATOM 0 H VAL A 11 -3.927 -5.048 -18.529 1.00 62.34 H new ATOM 0 HA VAL A 11 -6.671 -6.092 -18.336 1.00 43.54 H new ATOM 0 HB VAL A 11 -7.471 -3.711 -18.327 1.00 41.10 H new ATOM 0 HG11 VAL A 11 -7.033 -3.305 -15.940 1.00 20.12 H new ATOM 0 HG12 VAL A 11 -7.419 -5.012 -16.260 1.00 20.12 H new ATOM 0 HG13 VAL A 11 -5.733 -4.520 -15.975 1.00 20.12 H new ATOM 0 HG21 VAL A 11 -5.898 -1.939 -17.658 1.00 34.11 H new ATOM 0 HG22 VAL A 11 -4.552 -3.098 -17.765 1.00 34.11 H new ATOM 0 HG23 VAL A 11 -5.460 -2.652 -19.229 1.00 34.11 H new ATOM 162 N TRP A 12 -7.207 -4.660 -20.621 1.00 40.01 N ATOM 163 CA TRP A 12 -7.374 -4.424 -22.051 1.00 4.03 C ATOM 164 C TRP A 12 -7.720 -2.965 -22.325 1.00 2.32 C ATOM 165 O TRP A 12 -8.587 -2.388 -21.667 1.00 52.13 O ATOM 166 CB TRP A 12 -8.465 -5.335 -22.615 1.00 52.30 C ATOM 167 CG TRP A 12 -7.942 -6.643 -23.125 1.00 70.31 C ATOM 168 CD1 TRP A 12 -6.765 -6.854 -23.785 1.00 30.32 C ATOM 169 CD2 TRP A 12 -8.579 -7.921 -23.019 1.00 32.04 C ATOM 170 NE1 TRP A 12 -6.632 -8.186 -24.095 1.00 32.30 N ATOM 171 CE2 TRP A 12 -7.731 -8.862 -23.635 1.00 73.00 C ATOM 172 CE3 TRP A 12 -9.782 -8.362 -22.461 1.00 32.20 C ATOM 173 CZ2 TRP A 12 -8.051 -10.215 -23.709 1.00 23.21 C ATOM 174 CZ3 TRP A 12 -10.098 -9.705 -22.535 1.00 61.45 C ATOM 175 CH2 TRP A 12 -9.235 -10.619 -23.155 1.00 21.32 C ATOM 0 H TRP A 12 -8.046 -4.494 -20.065 1.00 40.01 H new ATOM 0 HA TRP A 12 -6.429 -4.652 -22.545 1.00 4.03 H new ATOM 0 HB2 TRP A 12 -9.206 -5.526 -21.839 1.00 52.30 H new ATOM 0 HB3 TRP A 12 -8.978 -4.817 -23.425 1.00 52.30 H new ATOM 0 HD1 TRP A 12 -6.045 -6.087 -24.028 1.00 30.32 H new ATOM 0 HE1 TRP A 12 -5.843 -8.604 -24.588 1.00 32.30 H new ATOM 0 HE3 TRP A 12 -10.453 -7.665 -21.980 1.00 32.20 H new ATOM 0 HZ2 TRP A 12 -7.388 -10.921 -24.187 1.00 23.21 H new ATOM 0 HZ3 TRP A 12 -11.026 -10.056 -22.108 1.00 61.45 H new ATOM 0 HH2 TRP A 12 -9.510 -11.663 -23.196 1.00 21.32 H new ATOM 186 N LEU A 13 -7.038 -2.372 -23.299 1.00 22.22 N ATOM 187 CA LEU A 13 -7.274 -0.979 -23.660 1.00 50.31 C ATOM 188 C LEU A 13 -7.785 -0.867 -25.093 1.00 12.21 C ATOM 189 O LEU A 13 -7.082 -1.211 -26.043 1.00 40.43 O ATOM 190 CB LEU A 13 -5.989 -0.165 -23.500 1.00 3.10 C ATOM 191 CG LEU A 13 -6.150 1.234 -22.904 1.00 40.24 C ATOM 192 CD1 LEU A 13 -5.634 1.268 -21.474 1.00 53.11 C ATOM 193 CD2 LEU A 13 -5.426 2.264 -23.759 1.00 1.31 C ATOM 0 H LEU A 13 -6.317 -2.835 -23.853 1.00 22.22 H new ATOM 0 HA LEU A 13 -8.035 -0.580 -22.990 1.00 50.31 H new ATOM 0 HB2 LEU A 13 -5.301 -0.729 -22.870 1.00 3.10 H new ATOM 0 HB3 LEU A 13 -5.519 -0.069 -24.479 1.00 3.10 H new ATOM 0 HG LEU A 13 -7.211 1.483 -22.891 1.00 40.24 H new ATOM 0 HD11 LEU A 13 -5.757 2.272 -21.067 1.00 53.11 H new ATOM 0 HD12 LEU A 13 -6.197 0.559 -20.867 1.00 53.11 H new ATOM 0 HD13 LEU A 13 -4.578 0.998 -21.462 1.00 53.11 H new ATOM 0 HD21 LEU A 13 -5.551 3.254 -23.320 1.00 1.31 H new ATOM 0 HD22 LEU A 13 -4.365 2.018 -23.804 1.00 1.31 H new ATOM 0 HD23 LEU A 13 -5.843 2.258 -24.766 1.00 1.31 H new ATOM 205 N LYS A 14 -9.013 -0.382 -25.241 1.00 52.32 N ATOM 206 CA LYS A 14 -9.619 -0.220 -26.558 1.00 23.23 C ATOM 207 C LYS A 14 -9.667 1.251 -26.958 1.00 23.02 C ATOM 208 O LYS A 14 -10.254 2.075 -26.257 1.00 22.42 O ATOM 209 CB LYS A 14 -11.031 -0.809 -26.568 1.00 14.33 C ATOM 210 CG LYS A 14 -11.504 -1.234 -27.947 1.00 45.44 C ATOM 211 CD LYS A 14 -12.471 -0.223 -28.541 1.00 63.34 C ATOM 212 CE LYS A 14 -13.887 -0.775 -28.600 1.00 62.33 C ATOM 213 NZ LYS A 14 -14.897 0.306 -28.763 1.00 14.20 N ATOM 0 H LYS A 14 -9.609 -0.094 -24.465 1.00 52.32 H new ATOM 0 HA LYS A 14 -9.004 -0.755 -27.282 1.00 23.23 H new ATOM 0 HB2 LYS A 14 -11.061 -1.671 -25.902 1.00 14.33 H new ATOM 0 HB3 LYS A 14 -11.726 -0.072 -26.166 1.00 14.33 H new ATOM 0 HG2 LYS A 14 -10.645 -1.349 -28.608 1.00 45.44 H new ATOM 0 HG3 LYS A 14 -11.989 -2.208 -27.882 1.00 45.44 H new ATOM 0 HD2 LYS A 14 -12.459 0.688 -27.943 1.00 63.34 H new ATOM 0 HD3 LYS A 14 -12.143 0.050 -29.544 1.00 63.34 H new ATOM 0 HE2 LYS A 14 -13.969 -1.477 -29.430 1.00 62.33 H new ATOM 0 HE3 LYS A 14 -14.097 -1.334 -27.688 1.00 62.33 H new ATOM 0 HZ1 LYS A 14 -15.850 -0.083 -28.613 1.00 14.20 H new ATOM 0 HZ2 LYS A 14 -14.717 1.057 -28.067 1.00 14.20 H new ATOM 0 HZ3 LYS A 14 -14.832 0.700 -29.723 1.00 14.20 H new ATOM 227 N GLN A 15 -9.047 1.573 -28.089 1.00 21.53 N ATOM 228 CA GLN A 15 -9.020 2.945 -28.581 1.00 75.43 C ATOM 229 C GLN A 15 -10.360 3.326 -29.202 1.00 72.14 C ATOM 230 O GLN A 15 -11.318 2.553 -29.160 1.00 3.35 O ATOM 231 CB GLN A 15 -7.901 3.119 -29.609 1.00 24.43 C ATOM 232 CG GLN A 15 -6.828 4.107 -29.179 1.00 34.45 C ATOM 233 CD GLN A 15 -6.987 5.463 -29.837 1.00 63.11 C ATOM 234 OE1 GLN A 15 -8.041 5.778 -30.390 1.00 1.44 O ATOM 235 NE2 GLN A 15 -5.937 6.274 -29.782 1.00 0.34 N ATOM 0 H GLN A 15 -8.557 0.903 -28.681 1.00 21.53 H new ATOM 0 HA GLN A 15 -8.831 3.605 -27.734 1.00 75.43 H new ATOM 0 HB2 GLN A 15 -7.437 2.151 -29.796 1.00 24.43 H new ATOM 0 HB3 GLN A 15 -8.334 3.453 -30.552 1.00 24.43 H new ATOM 0 HG2 GLN A 15 -6.862 4.226 -28.096 1.00 34.45 H new ATOM 0 HG3 GLN A 15 -5.846 3.701 -29.424 1.00 34.45 H new ATOM 0 HE21 GLN A 15 -5.083 5.972 -29.313 1.00 0.34 H new ATOM 0 HE22 GLN A 15 -5.984 7.199 -30.209 1.00 0.34 H new ATOM 244 N ASP A 16 -10.420 4.521 -29.779 1.00 15.33 N ATOM 245 CA ASP A 16 -11.643 5.005 -30.410 1.00 0.24 C ATOM 246 C ASP A 16 -11.997 4.160 -31.629 1.00 65.32 C ATOM 247 O ASP A 16 -13.045 3.516 -31.668 1.00 31.15 O ATOM 248 CB ASP A 16 -11.486 6.471 -30.818 1.00 20.22 C ATOM 249 CG ASP A 16 -12.246 7.411 -29.903 1.00 4.22 C ATOM 250 OD1 ASP A 16 -13.318 7.902 -30.314 1.00 42.42 O ATOM 251 OD2 ASP A 16 -11.768 7.655 -28.775 1.00 54.21 O ATOM 0 H ASP A 16 -9.636 5.172 -29.823 1.00 15.33 H new ATOM 0 HA ASP A 16 -12.453 4.922 -29.686 1.00 0.24 H new ATOM 0 HB2 ASP A 16 -10.429 6.736 -30.810 1.00 20.22 H new ATOM 0 HB3 ASP A 16 -11.839 6.600 -31.841 1.00 20.22 H new ATOM 256 N ARG A 17 -11.115 4.167 -32.624 1.00 11.42 N ATOM 257 CA ARG A 17 -11.335 3.403 -33.846 1.00 13.23 C ATOM 258 C ARG A 17 -10.548 2.097 -33.819 1.00 63.51 C ATOM 259 O ARG A 17 -10.937 1.112 -34.448 1.00 44.21 O ATOM 260 CB ARG A 17 -10.932 4.229 -35.069 1.00 14.13 C ATOM 261 CG ARG A 17 -12.115 4.729 -35.883 1.00 21.42 C ATOM 262 CD ARG A 17 -12.423 3.799 -37.046 1.00 21.31 C ATOM 263 NE ARG A 17 -12.912 2.499 -36.593 1.00 40.21 N ATOM 264 CZ ARG A 17 -14.137 2.299 -36.120 1.00 50.11 C ATOM 265 NH1 ARG A 17 -14.993 3.308 -36.039 1.00 1.52 N ATOM 266 NH2 ARG A 17 -14.508 1.087 -35.728 1.00 13.24 N ATOM 0 H ARG A 17 -10.242 4.693 -32.607 1.00 11.42 H new ATOM 0 HA ARG A 17 -12.397 3.166 -33.910 1.00 13.23 H new ATOM 0 HB2 ARG A 17 -10.340 5.084 -34.741 1.00 14.13 H new ATOM 0 HB3 ARG A 17 -10.290 3.624 -35.710 1.00 14.13 H new ATOM 0 HG2 ARG A 17 -12.991 4.812 -35.240 1.00 21.42 H new ATOM 0 HG3 ARG A 17 -11.901 5.729 -36.262 1.00 21.42 H new ATOM 0 HD2 ARG A 17 -13.169 4.262 -37.692 1.00 21.31 H new ATOM 0 HD3 ARG A 17 -11.524 3.659 -37.646 1.00 21.31 H new ATOM 0 HE ARG A 17 -12.278 1.701 -36.643 1.00 40.21 H new ATOM 0 HH11 ARG A 17 -14.712 4.241 -36.340 1.00 1.52 H new ATOM 0 HH12 ARG A 17 -15.933 3.151 -35.675 1.00 1.52 H new ATOM 0 HH21 ARG A 17 -13.852 0.308 -35.790 1.00 13.24 H new ATOM 0 HH22 ARG A 17 -15.449 0.934 -35.365 1.00 13.24 H new ATOM 280 N PHE A 18 -9.438 2.095 -33.087 1.00 55.14 N ATOM 281 CA PHE A 18 -8.595 0.910 -32.980 1.00 11.42 C ATOM 282 C PHE A 18 -9.204 -0.105 -32.018 1.00 31.34 C ATOM 283 O PHE A 18 -9.991 0.234 -31.134 1.00 35.51 O ATOM 284 CB PHE A 18 -7.192 1.298 -32.509 1.00 1.32 C ATOM 285 CG PHE A 18 -6.262 1.662 -33.631 1.00 20.30 C ATOM 286 CD1 PHE A 18 -6.119 0.827 -34.727 1.00 64.15 C ATOM 287 CD2 PHE A 18 -5.531 2.838 -33.589 1.00 22.10 C ATOM 288 CE1 PHE A 18 -5.264 1.158 -35.762 1.00 50.50 C ATOM 289 CE2 PHE A 18 -4.675 3.175 -34.621 1.00 31.14 C ATOM 290 CZ PHE A 18 -4.541 2.334 -35.708 1.00 24.41 C ATOM 0 H PHE A 18 -9.102 2.901 -32.559 1.00 55.14 H new ATOM 0 HA PHE A 18 -8.526 0.453 -33.967 1.00 11.42 H new ATOM 0 HB2 PHE A 18 -7.268 2.141 -31.823 1.00 1.32 H new ATOM 0 HB3 PHE A 18 -6.763 0.468 -31.947 1.00 1.32 H new ATOM 0 HD1 PHE A 18 -6.682 -0.093 -34.774 1.00 64.15 H new ATOM 0 HD2 PHE A 18 -5.631 3.499 -32.741 1.00 22.10 H new ATOM 0 HE1 PHE A 18 -5.162 0.498 -36.611 1.00 50.50 H new ATOM 0 HE2 PHE A 18 -4.112 4.095 -34.577 1.00 31.14 H new ATOM 0 HZ PHE A 18 -3.872 2.595 -36.515 1.00 24.41 H new ATOM 300 N PRO A 19 -8.832 -1.382 -32.193 1.00 32.14 N ATOM 301 CA PRO A 19 -9.329 -2.474 -31.350 1.00 53.11 C ATOM 302 C PRO A 19 -8.780 -2.406 -29.929 1.00 60.03 C ATOM 303 O PRO A 19 -8.179 -1.408 -29.534 1.00 5.54 O ATOM 304 CB PRO A 19 -8.820 -3.730 -32.061 1.00 31.41 C ATOM 305 CG PRO A 19 -7.618 -3.278 -32.816 1.00 13.30 C ATOM 306 CD PRO A 19 -7.897 -1.858 -33.226 1.00 33.11 C ATOM 0 HA PRO A 19 -10.413 -2.441 -31.237 1.00 53.11 H new ATOM 0 HB2 PRO A 19 -8.567 -4.514 -31.347 1.00 31.41 H new ATOM 0 HB3 PRO A 19 -9.577 -4.140 -32.730 1.00 31.41 H new ATOM 0 HG2 PRO A 19 -6.723 -3.337 -32.197 1.00 13.30 H new ATOM 0 HG3 PRO A 19 -7.444 -3.909 -33.688 1.00 13.30 H new ATOM 0 HD2 PRO A 19 -6.986 -1.260 -33.249 1.00 33.11 H new ATOM 0 HD3 PRO A 19 -8.338 -1.806 -34.222 1.00 33.11 H new ATOM 314 N TRP A 20 -8.990 -3.473 -29.167 1.00 72.34 N ATOM 315 CA TRP A 20 -8.515 -3.534 -27.790 1.00 20.22 C ATOM 316 C TRP A 20 -7.282 -4.424 -27.678 1.00 43.42 C ATOM 317 O TRP A 20 -7.315 -5.596 -28.052 1.00 50.14 O ATOM 318 CB TRP A 20 -9.620 -4.056 -26.870 1.00 11.20 C ATOM 319 CG TRP A 20 -10.118 -5.417 -27.253 1.00 13.44 C ATOM 320 CD1 TRP A 20 -9.703 -6.614 -26.745 1.00 23.33 C ATOM 321 CD2 TRP A 20 -11.124 -5.719 -28.226 1.00 12.43 C ATOM 322 NE1 TRP A 20 -10.390 -7.643 -27.344 1.00 3.35 N ATOM 323 CE2 TRP A 20 -11.268 -7.120 -28.255 1.00 51.41 C ATOM 324 CE3 TRP A 20 -11.919 -4.942 -29.073 1.00 64.15 C ATOM 325 CZ2 TRP A 20 -12.173 -7.757 -29.100 1.00 21.02 C ATOM 326 CZ3 TRP A 20 -12.816 -5.576 -29.911 1.00 61.35 C ATOM 327 CH2 TRP A 20 -12.938 -6.972 -29.919 1.00 62.23 C ATOM 0 H TRP A 20 -9.486 -4.308 -29.479 1.00 72.34 H new ATOM 0 HA TRP A 20 -8.241 -2.525 -27.482 1.00 20.22 H new ATOM 0 HB2 TRP A 20 -9.246 -4.089 -25.847 1.00 11.20 H new ATOM 0 HB3 TRP A 20 -10.454 -3.355 -26.882 1.00 11.20 H new ATOM 0 HD1 TRP A 20 -8.946 -6.735 -25.984 1.00 23.33 H new ATOM 0 HE1 TRP A 20 -10.266 -8.635 -27.142 1.00 3.35 H new ATOM 0 HE3 TRP A 20 -11.834 -3.865 -29.072 1.00 64.15 H new ATOM 0 HZ2 TRP A 20 -12.268 -8.833 -29.109 1.00 21.02 H new ATOM 0 HZ3 TRP A 20 -13.434 -4.986 -30.571 1.00 61.35 H new ATOM 0 HH2 TRP A 20 -13.650 -7.437 -30.585 1.00 62.23 H new ATOM 338 N TRP A 21 -6.196 -3.860 -27.162 1.00 1.32 N ATOM 339 CA TRP A 21 -4.951 -4.603 -27.001 1.00 75.32 C ATOM 340 C TRP A 21 -4.587 -4.742 -25.527 1.00 65.04 C ATOM 341 O TRP A 21 -4.938 -3.906 -24.695 1.00 12.20 O ATOM 342 CB TRP A 21 -3.817 -3.909 -27.757 1.00 73.11 C ATOM 343 CG TRP A 21 -4.069 -3.794 -29.230 1.00 44.32 C ATOM 344 CD1 TRP A 21 -4.254 -2.643 -29.942 1.00 64.23 C ATOM 345 CD2 TRP A 21 -4.164 -4.870 -30.170 1.00 53.50 C ATOM 346 NE1 TRP A 21 -4.459 -2.939 -31.268 1.00 64.05 N ATOM 347 CE2 TRP A 21 -4.408 -4.298 -31.434 1.00 44.22 C ATOM 348 CE3 TRP A 21 -4.066 -6.260 -30.067 1.00 40.33 C ATOM 349 CZ2 TRP A 21 -4.555 -5.069 -32.584 1.00 22.31 C ATOM 350 CZ3 TRP A 21 -4.213 -7.024 -31.209 1.00 44.02 C ATOM 351 CH2 TRP A 21 -4.454 -6.428 -32.454 1.00 50.21 C ATOM 0 H TRP A 21 -6.152 -2.891 -26.848 1.00 1.32 H new ATOM 0 HA TRP A 21 -5.096 -5.601 -27.415 1.00 75.32 H new ATOM 0 HB2 TRP A 21 -3.670 -2.912 -27.342 1.00 73.11 H new ATOM 0 HB3 TRP A 21 -2.891 -4.461 -27.596 1.00 73.11 H new ATOM 0 HD1 TRP A 21 -4.241 -1.647 -29.524 1.00 64.23 H new ATOM 0 HE1 TRP A 21 -4.623 -2.257 -32.009 1.00 64.05 H new ATOM 0 HE3 TRP A 21 -3.879 -6.729 -29.112 1.00 40.33 H new ATOM 0 HZ2 TRP A 21 -4.742 -4.611 -33.544 1.00 22.31 H new ATOM 0 HZ3 TRP A 21 -4.141 -8.099 -31.141 1.00 44.02 H new ATOM 0 HH2 TRP A 21 -4.562 -7.053 -33.328 1.00 50.21 H new ATOM 362 N PRO A 22 -3.864 -5.822 -25.194 1.00 72.15 N ATOM 363 CA PRO A 22 -3.435 -6.095 -23.819 1.00 54.44 C ATOM 364 C PRO A 22 -2.371 -5.114 -23.339 1.00 15.32 C ATOM 365 O PRO A 22 -1.533 -4.661 -24.117 1.00 74.15 O ATOM 366 CB PRO A 22 -2.859 -7.510 -23.901 1.00 74.45 C ATOM 367 CG PRO A 22 -2.435 -7.665 -25.321 1.00 43.10 C ATOM 368 CD PRO A 22 -3.410 -6.860 -26.135 1.00 21.21 C ATOM 0 HA PRO A 22 -4.256 -5.995 -23.109 1.00 54.44 H new ATOM 0 HB2 PRO A 22 -2.017 -7.635 -23.221 1.00 74.45 H new ATOM 0 HB3 PRO A 22 -3.604 -8.257 -23.626 1.00 74.45 H new ATOM 0 HG2 PRO A 22 -1.416 -7.306 -25.465 1.00 43.10 H new ATOM 0 HG3 PRO A 22 -2.449 -8.713 -25.620 1.00 43.10 H new ATOM 0 HD2 PRO A 22 -2.936 -6.425 -27.015 1.00 21.21 H new ATOM 0 HD3 PRO A 22 -4.240 -7.472 -26.489 1.00 21.21 H new ATOM 376 N GLY A 23 -2.411 -4.789 -22.050 1.00 21.11 N ATOM 377 CA GLY A 23 -1.444 -3.864 -21.488 1.00 14.10 C ATOM 378 C GLY A 23 -1.331 -3.988 -19.982 1.00 11.25 C ATOM 379 O GLY A 23 -2.339 -4.096 -19.283 1.00 21.23 O ATOM 0 H GLY A 23 -3.096 -5.150 -21.385 1.00 21.11 H new ATOM 0 HA2 GLY A 23 -0.468 -4.045 -21.939 1.00 14.10 H new ATOM 0 HA3 GLY A 23 -1.730 -2.844 -21.745 1.00 14.10 H new ATOM 383 N PHE A 24 -0.101 -3.974 -19.479 1.00 41.31 N ATOM 384 CA PHE A 24 0.141 -4.088 -18.046 1.00 32.15 C ATOM 385 C PHE A 24 0.018 -2.729 -17.363 1.00 41.11 C ATOM 386 O PHE A 24 0.706 -1.775 -17.726 1.00 43.11 O ATOM 387 CB PHE A 24 1.528 -4.678 -17.786 1.00 65.13 C ATOM 388 CG PHE A 24 1.506 -5.905 -16.921 1.00 31.43 C ATOM 389 CD1 PHE A 24 2.176 -5.926 -15.708 1.00 73.51 C ATOM 390 CD2 PHE A 24 0.815 -7.038 -17.320 1.00 63.31 C ATOM 391 CE1 PHE A 24 2.157 -7.054 -14.909 1.00 33.11 C ATOM 392 CE2 PHE A 24 0.792 -8.169 -16.525 1.00 43.50 C ATOM 393 CZ PHE A 24 1.465 -8.177 -15.319 1.00 11.14 C ATOM 0 H PHE A 24 0.744 -3.885 -20.043 1.00 41.31 H new ATOM 0 HA PHE A 24 -0.614 -4.754 -17.628 1.00 32.15 H new ATOM 0 HB2 PHE A 24 1.994 -4.924 -18.740 1.00 65.13 H new ATOM 0 HB3 PHE A 24 2.153 -3.921 -17.313 1.00 65.13 H new ATOM 0 HD1 PHE A 24 2.719 -5.051 -15.383 1.00 73.51 H new ATOM 0 HD2 PHE A 24 0.288 -7.038 -18.263 1.00 63.31 H new ATOM 0 HE1 PHE A 24 2.683 -7.057 -13.965 1.00 33.11 H new ATOM 0 HE2 PHE A 24 0.248 -9.045 -16.847 1.00 43.50 H new ATOM 0 HZ PHE A 24 1.450 -9.060 -14.697 1.00 11.14 H new ATOM 403 N VAL A 25 -0.864 -2.648 -16.372 1.00 73.41 N ATOM 404 CA VAL A 25 -1.078 -1.407 -15.638 1.00 30.13 C ATOM 405 C VAL A 25 0.037 -1.168 -14.626 1.00 62.21 C ATOM 406 O VAL A 25 0.208 -1.938 -13.681 1.00 75.35 O ATOM 407 CB VAL A 25 -2.431 -1.417 -14.901 1.00 42.53 C ATOM 408 CG1 VAL A 25 -2.610 -0.138 -14.097 1.00 22.14 C ATOM 409 CG2 VAL A 25 -3.573 -1.599 -15.889 1.00 13.01 C ATOM 0 H VAL A 25 -1.442 -3.428 -16.059 1.00 73.41 H new ATOM 0 HA VAL A 25 -1.078 -0.601 -16.372 1.00 30.13 H new ATOM 0 HB VAL A 25 -2.442 -2.258 -14.208 1.00 42.53 H new ATOM 0 HG11 VAL A 25 -3.571 -0.163 -13.583 1.00 22.14 H new ATOM 0 HG12 VAL A 25 -1.808 -0.054 -13.363 1.00 22.14 H new ATOM 0 HG13 VAL A 25 -2.579 0.721 -14.768 1.00 22.14 H new ATOM 0 HG21 VAL A 25 -4.521 -1.604 -15.352 1.00 13.01 H new ATOM 0 HG22 VAL A 25 -3.567 -0.779 -16.607 1.00 13.01 H new ATOM 0 HG23 VAL A 25 -3.450 -2.545 -16.417 1.00 13.01 H new ATOM 419 N MET A 26 0.794 -0.095 -14.831 1.00 23.23 N ATOM 420 CA MET A 26 1.893 0.246 -13.935 1.00 1.52 C ATOM 421 C MET A 26 1.915 1.744 -13.648 1.00 11.50 C ATOM 422 O MET A 26 1.659 2.560 -14.534 1.00 70.55 O ATOM 423 CB MET A 26 3.228 -0.188 -14.542 1.00 44.11 C ATOM 424 CG MET A 26 3.260 -1.649 -14.959 1.00 74.32 C ATOM 425 SD MET A 26 4.829 -2.449 -14.573 1.00 40.51 S ATOM 426 CE MET A 26 5.387 -2.908 -16.212 1.00 2.12 C ATOM 0 H MET A 26 0.667 0.553 -15.609 1.00 23.23 H new ATOM 0 HA MET A 26 1.740 -0.284 -12.995 1.00 1.52 H new ATOM 0 HB2 MET A 26 3.442 0.434 -15.411 1.00 44.11 H new ATOM 0 HB3 MET A 26 4.023 -0.008 -13.818 1.00 44.11 H new ATOM 0 HG2 MET A 26 2.452 -2.183 -14.459 1.00 74.32 H new ATOM 0 HG3 MET A 26 3.074 -1.721 -16.031 1.00 74.32 H new ATOM 0 HE1 MET A 26 6.349 -3.415 -16.140 1.00 2.12 H new ATOM 0 HE2 MET A 26 4.658 -3.576 -16.671 1.00 2.12 H new ATOM 0 HE3 MET A 26 5.494 -2.012 -16.824 1.00 2.12 H new ATOM 436 N ASP A 27 2.221 2.100 -12.405 1.00 65.22 N ATOM 437 CA ASP A 27 2.277 3.500 -12.002 1.00 43.21 C ATOM 438 C ASP A 27 3.697 4.045 -12.126 1.00 52.21 C ATOM 439 O ASP A 27 4.681 3.322 -11.972 1.00 3.01 O ATOM 440 CB ASP A 27 1.780 3.659 -10.564 1.00 43.44 C ATOM 441 CG ASP A 27 0.609 4.616 -10.459 1.00 73.25 C ATOM 442 OD1 ASP A 27 -0.198 4.674 -11.412 1.00 24.43 O ATOM 443 OD2 ASP A 27 0.497 5.306 -9.425 1.00 25.22 O ATOM 0 H ASP A 27 2.434 1.438 -11.659 1.00 65.22 H new ATOM 0 HA ASP A 27 1.629 4.070 -12.667 1.00 43.21 H new ATOM 0 HB2 ASP A 27 1.485 2.685 -10.175 1.00 43.44 H new ATOM 0 HB3 ASP A 27 2.597 4.019 -9.938 1.00 43.44 H new ATOM 448 N PRO A 28 3.807 5.351 -12.412 1.00 72.13 N ATOM 449 CA PRO A 28 5.101 6.022 -12.564 1.00 64.30 C ATOM 450 C PRO A 28 5.847 6.149 -11.240 1.00 20.10 C ATOM 451 O PRO A 28 7.066 5.983 -11.185 1.00 13.14 O ATOM 452 CB PRO A 28 4.724 7.405 -13.100 1.00 35.11 C ATOM 453 CG PRO A 28 3.329 7.627 -12.625 1.00 2.44 C ATOM 454 CD PRO A 28 2.676 6.273 -12.609 1.00 51.14 C ATOM 0 HA PRO A 28 5.774 5.466 -13.217 1.00 64.30 H new ATOM 0 HB2 PRO A 28 5.398 8.174 -12.722 1.00 35.11 H new ATOM 0 HB3 PRO A 28 4.782 7.437 -14.188 1.00 35.11 H new ATOM 0 HG2 PRO A 28 3.322 8.075 -11.631 1.00 2.44 H new ATOM 0 HG3 PRO A 28 2.796 8.310 -13.287 1.00 2.44 H new ATOM 0 HD2 PRO A 28 1.945 6.189 -11.805 1.00 51.14 H new ATOM 0 HD3 PRO A 28 2.150 6.070 -13.542 1.00 51.14 H new ATOM 462 N ASP A 29 5.108 6.444 -10.176 1.00 70.52 N ATOM 463 CA ASP A 29 5.699 6.591 -8.851 1.00 44.34 C ATOM 464 C ASP A 29 4.625 6.869 -7.805 1.00 21.35 C ATOM 465 O ASP A 29 4.736 7.813 -7.024 1.00 13.32 O ATOM 466 CB ASP A 29 6.731 7.721 -8.853 1.00 70.42 C ATOM 467 CG ASP A 29 7.898 7.440 -7.927 1.00 63.14 C ATOM 468 OD1 ASP A 29 8.840 6.740 -8.355 1.00 62.21 O ATOM 469 OD2 ASP A 29 7.870 7.921 -6.776 1.00 24.14 O ATOM 0 H ASP A 29 4.098 6.586 -10.205 1.00 70.52 H new ATOM 0 HA ASP A 29 6.196 5.655 -8.595 1.00 44.34 H new ATOM 0 HB2 ASP A 29 7.103 7.868 -9.867 1.00 70.42 H new ATOM 0 HB3 ASP A 29 6.248 8.651 -8.553 1.00 70.42 H new ATOM 474 N GLU A 30 3.586 6.039 -7.796 1.00 2.32 N ATOM 475 CA GLU A 30 2.491 6.197 -6.846 1.00 3.41 C ATOM 476 C GLU A 30 1.847 7.574 -6.983 1.00 35.31 C ATOM 477 O GLU A 30 2.274 8.538 -6.348 1.00 31.10 O ATOM 478 CB GLU A 30 2.995 5.999 -5.415 1.00 24.51 C ATOM 479 CG GLU A 30 3.189 4.540 -5.035 1.00 0.20 C ATOM 480 CD GLU A 30 3.067 4.305 -3.542 1.00 14.00 C ATOM 481 OE1 GLU A 30 2.129 4.858 -2.930 1.00 13.00 O ATOM 482 OE2 GLU A 30 3.908 3.569 -2.986 1.00 31.03 O ATOM 0 H GLU A 30 3.480 5.251 -8.435 1.00 2.32 H new ATOM 0 HA GLU A 30 1.740 5.439 -7.067 1.00 3.41 H new ATOM 0 HB2 GLU A 30 3.942 6.526 -5.296 1.00 24.51 H new ATOM 0 HB3 GLU A 30 2.287 6.455 -4.723 1.00 24.51 H new ATOM 0 HG2 GLU A 30 2.450 3.931 -5.556 1.00 0.20 H new ATOM 0 HG3 GLU A 30 4.171 4.208 -5.372 1.00 0.20 H new ATOM 489 N VAL A 31 0.815 7.657 -7.817 1.00 41.03 N ATOM 490 CA VAL A 31 0.110 8.914 -8.038 1.00 42.04 C ATOM 491 C VAL A 31 -1.050 9.073 -7.062 1.00 24.13 C ATOM 492 O VAL A 31 -1.897 9.950 -7.226 1.00 52.51 O ATOM 493 CB VAL A 31 -0.429 9.010 -9.478 1.00 63.41 C ATOM 494 CG1 VAL A 31 0.698 8.826 -10.483 1.00 50.54 C ATOM 495 CG2 VAL A 31 -1.528 7.983 -9.704 1.00 53.02 C ATOM 0 H VAL A 31 0.449 6.869 -8.351 1.00 41.03 H new ATOM 0 HA VAL A 31 0.832 9.714 -7.874 1.00 42.04 H new ATOM 0 HB VAL A 31 -0.855 10.003 -9.623 1.00 63.41 H new ATOM 0 HG11 VAL A 31 0.299 8.897 -11.495 1.00 50.54 H new ATOM 0 HG12 VAL A 31 1.449 9.602 -10.334 1.00 50.54 H new ATOM 0 HG13 VAL A 31 1.156 7.847 -10.341 1.00 50.54 H new ATOM 0 HG21 VAL A 31 -1.898 8.065 -10.726 1.00 53.02 H new ATOM 0 HG22 VAL A 31 -1.129 6.982 -9.541 1.00 53.02 H new ATOM 0 HG23 VAL A 31 -2.346 8.166 -9.007 1.00 53.02 H new ATOM 505 N ARG A 32 -1.080 8.218 -6.044 1.00 55.33 N ATOM 506 CA ARG A 32 -2.137 8.263 -5.041 1.00 1.23 C ATOM 507 C ARG A 32 -1.813 9.286 -3.956 1.00 0.13 C ATOM 508 O ARG A 32 -2.702 9.971 -3.449 1.00 21.44 O ATOM 509 CB ARG A 32 -2.332 6.882 -4.412 1.00 41.05 C ATOM 510 CG ARG A 32 -3.146 6.906 -3.129 1.00 5.11 C ATOM 511 CD ARG A 32 -3.301 5.512 -2.542 1.00 12.03 C ATOM 512 NE ARG A 32 -3.406 5.540 -1.085 1.00 53.14 N ATOM 513 CZ ARG A 32 -2.378 5.776 -0.279 1.00 24.13 C ATOM 514 NH1 ARG A 32 -1.173 6.003 -0.784 1.00 51.31 N ATOM 515 NH2 ARG A 32 -2.553 5.785 1.037 1.00 43.14 N ATOM 0 H ARG A 32 -0.385 7.487 -5.893 1.00 55.33 H new ATOM 0 HA ARG A 32 -3.061 8.563 -5.536 1.00 1.23 H new ATOM 0 HB2 ARG A 32 -2.825 6.230 -5.133 1.00 41.05 H new ATOM 0 HB3 ARG A 32 -1.355 6.446 -4.204 1.00 41.05 H new ATOM 0 HG2 ARG A 32 -2.661 7.557 -2.401 1.00 5.11 H new ATOM 0 HG3 ARG A 32 -4.130 7.329 -3.329 1.00 5.11 H new ATOM 0 HD2 ARG A 32 -4.190 5.039 -2.960 1.00 12.03 H new ATOM 0 HD3 ARG A 32 -2.447 4.899 -2.832 1.00 12.03 H new ATOM 0 HE ARG A 32 -4.319 5.369 -0.664 1.00 53.14 H new ATOM 0 HH11 ARG A 32 -1.034 5.997 -1.794 1.00 51.31 H new ATOM 0 HH12 ARG A 32 -0.385 6.184 -0.162 1.00 51.31 H new ATOM 0 HH21 ARG A 32 -3.478 5.610 1.430 1.00 43.14 H new ATOM 0 HH22 ARG A 32 -1.762 5.966 1.655 1.00 43.14 H new ATOM 529 N ASP A 33 -0.536 9.384 -3.605 1.00 24.24 N ATOM 530 CA ASP A 33 -0.094 10.323 -2.580 1.00 42.24 C ATOM 531 C ASP A 33 0.682 11.480 -3.202 1.00 61.03 C ATOM 532 O ASP A 33 0.667 12.598 -2.687 1.00 42.20 O ATOM 533 CB ASP A 33 0.775 9.609 -1.544 1.00 12.14 C ATOM 534 CG ASP A 33 1.594 10.575 -0.710 1.00 50.15 C ATOM 535 OD1 ASP A 33 1.051 11.117 0.275 1.00 51.40 O ATOM 536 OD2 ASP A 33 2.778 10.788 -1.043 1.00 44.13 O ATOM 0 H ASP A 33 0.212 8.825 -4.015 1.00 24.24 H new ATOM 0 HA ASP A 33 -0.978 10.725 -2.086 1.00 42.24 H new ATOM 0 HB2 ASP A 33 0.139 9.016 -0.887 1.00 12.14 H new ATOM 0 HB3 ASP A 33 1.444 8.915 -2.052 1.00 12.14 H new ATOM 541 N ILE A 34 1.360 11.203 -4.311 1.00 74.23 N ATOM 542 CA ILE A 34 2.141 12.220 -5.003 1.00 2.32 C ATOM 543 C ILE A 34 1.450 12.667 -6.286 1.00 73.45 C ATOM 544 O ILE A 34 1.369 11.912 -7.257 1.00 11.24 O ATOM 545 CB ILE A 34 3.553 11.710 -5.345 1.00 24.34 C ATOM 546 CG1 ILE A 34 4.255 11.202 -4.083 1.00 41.11 C ATOM 547 CG2 ILE A 34 4.370 12.811 -6.004 1.00 54.04 C ATOM 548 CD1 ILE A 34 4.154 9.704 -3.897 1.00 1.33 C ATOM 0 H ILE A 34 1.384 10.282 -4.749 1.00 74.23 H new ATOM 0 HA ILE A 34 2.224 13.069 -4.324 1.00 2.32 H new ATOM 0 HB ILE A 34 3.463 10.882 -6.048 1.00 24.34 H new ATOM 0 HG12 ILE A 34 5.307 11.485 -4.123 1.00 41.11 H new ATOM 0 HG13 ILE A 34 3.825 11.698 -3.213 1.00 41.11 H new ATOM 0 HG21 ILE A 34 5.365 12.434 -6.239 1.00 54.04 H new ATOM 0 HG22 ILE A 34 3.877 13.130 -6.922 1.00 54.04 H new ATOM 0 HG23 ILE A 34 4.454 13.658 -5.324 1.00 54.04 H new ATOM 0 HD11 ILE A 34 4.674 9.415 -2.983 1.00 1.33 H new ATOM 0 HD12 ILE A 34 3.105 9.416 -3.825 1.00 1.33 H new ATOM 0 HD13 ILE A 34 4.610 9.200 -4.749 1.00 1.33 H new ATOM 560 N THR A 35 0.953 13.900 -6.287 1.00 33.33 N ATOM 561 CA THR A 35 0.269 14.448 -7.451 1.00 35.20 C ATOM 562 C THR A 35 1.020 15.648 -8.015 1.00 54.34 C ATOM 563 O THR A 35 0.968 16.745 -7.456 1.00 64.42 O ATOM 564 CB THR A 35 -1.172 14.873 -7.108 1.00 22.31 C ATOM 565 OG1 THR A 35 -1.185 15.613 -5.882 1.00 73.20 O ATOM 566 CG2 THR A 35 -2.079 13.658 -6.983 1.00 11.11 C ATOM 0 H THR A 35 1.012 14.538 -5.494 1.00 33.33 H new ATOM 0 HA THR A 35 0.238 13.657 -8.201 1.00 35.20 H new ATOM 0 HB THR A 35 -1.544 15.503 -7.916 1.00 22.31 H new ATOM 0 HG1 THR A 35 -0.476 16.290 -5.901 1.00 73.20 H new ATOM 0 HG21 THR A 35 -3.091 13.983 -6.741 1.00 11.11 H new ATOM 0 HG22 THR A 35 -2.089 13.113 -7.927 1.00 11.11 H new ATOM 0 HG23 THR A 35 -1.708 13.007 -6.192 1.00 11.11 H new ATOM 574 N LEU A 36 1.716 15.435 -9.126 1.00 40.34 N ATOM 575 CA LEU A 36 2.478 16.501 -9.768 1.00 11.31 C ATOM 576 C LEU A 36 1.918 16.813 -11.152 1.00 45.41 C ATOM 577 O LEU A 36 1.312 15.967 -11.809 1.00 20.21 O ATOM 578 CB LEU A 36 3.952 16.106 -9.878 1.00 53.40 C ATOM 579 CG LEU A 36 4.752 16.131 -8.575 1.00 63.15 C ATOM 580 CD1 LEU A 36 6.020 15.303 -8.713 1.00 25.12 C ATOM 581 CD2 LEU A 36 5.088 17.562 -8.182 1.00 54.24 C ATOM 0 H LEU A 36 1.769 14.534 -9.601 1.00 40.34 H new ATOM 0 HA LEU A 36 2.393 17.396 -9.152 1.00 11.31 H new ATOM 0 HB2 LEU A 36 4.008 15.101 -10.296 1.00 53.40 H new ATOM 0 HB3 LEU A 36 4.435 16.775 -10.590 1.00 53.40 H new ATOM 0 HG LEU A 36 4.140 15.694 -7.786 1.00 63.15 H new ATOM 0 HD11 LEU A 36 6.577 15.332 -7.777 1.00 25.12 H new ATOM 0 HD12 LEU A 36 5.757 14.271 -8.947 1.00 25.12 H new ATOM 0 HD13 LEU A 36 6.636 15.711 -9.514 1.00 25.12 H new ATOM 0 HD21 LEU A 36 5.657 17.560 -7.253 1.00 54.24 H new ATOM 0 HD22 LEU A 36 5.681 18.026 -8.970 1.00 54.24 H new ATOM 0 HD23 LEU A 36 4.166 18.127 -8.042 1.00 54.24 H new ATOM 593 N PRO A 37 2.128 18.057 -11.609 1.00 14.24 N ATOM 594 CA PRO A 37 1.655 18.509 -12.920 1.00 75.14 C ATOM 595 C PRO A 37 2.416 17.854 -14.068 1.00 52.51 C ATOM 596 O PRO A 37 3.646 17.817 -14.067 1.00 13.21 O ATOM 597 CB PRO A 37 1.920 20.016 -12.893 1.00 51.24 C ATOM 598 CG PRO A 37 3.034 20.187 -11.919 1.00 51.32 C ATOM 599 CD PRO A 37 2.843 19.118 -10.879 1.00 54.13 C ATOM 0 HA PRO A 37 0.610 18.250 -13.088 1.00 75.14 H new ATOM 0 HB2 PRO A 37 2.196 20.387 -13.880 1.00 51.24 H new ATOM 0 HB3 PRO A 37 1.033 20.568 -12.582 1.00 51.24 H new ATOM 0 HG2 PRO A 37 4.001 20.085 -12.411 1.00 51.32 H new ATOM 0 HG3 PRO A 37 3.009 21.179 -11.468 1.00 51.32 H new ATOM 0 HD2 PRO A 37 3.796 18.764 -10.487 1.00 54.13 H new ATOM 0 HD3 PRO A 37 2.264 19.482 -10.030 1.00 54.13 H new ATOM 607 N GLU A 38 1.676 17.340 -15.046 1.00 2.31 N ATOM 608 CA GLU A 38 2.284 16.687 -16.199 1.00 55.14 C ATOM 609 C GLU A 38 1.222 16.286 -17.219 1.00 55.43 C ATOM 610 O GLU A 38 1.169 16.828 -18.323 1.00 2.13 O ATOM 611 CB GLU A 38 3.073 15.453 -15.758 1.00 3.24 C ATOM 612 CG GLU A 38 4.553 15.525 -16.094 1.00 3.44 C ATOM 613 CD GLU A 38 5.279 14.223 -15.816 1.00 73.03 C ATOM 614 OE1 GLU A 38 6.043 14.169 -14.830 1.00 20.20 O ATOM 615 OE2 GLU A 38 5.083 13.259 -16.585 1.00 34.42 O ATOM 0 H GLU A 38 0.656 17.363 -15.063 1.00 2.31 H new ATOM 0 HA GLU A 38 2.966 17.397 -16.668 1.00 55.14 H new ATOM 0 HB2 GLU A 38 2.959 15.325 -14.682 1.00 3.24 H new ATOM 0 HB3 GLU A 38 2.644 14.570 -16.231 1.00 3.24 H new ATOM 0 HG2 GLU A 38 4.671 15.785 -17.146 1.00 3.44 H new ATOM 0 HG3 GLU A 38 5.015 16.325 -15.515 1.00 3.44 H new ATOM 622 N GLY A 39 0.376 15.332 -16.841 1.00 42.12 N ATOM 623 CA GLY A 39 -0.673 14.874 -17.733 1.00 65.15 C ATOM 624 C GLY A 39 -0.675 13.367 -17.900 1.00 12.34 C ATOM 625 O GLY A 39 -1.467 12.822 -18.668 1.00 50.14 O ATOM 0 H GLY A 39 0.399 14.868 -15.933 1.00 42.12 H new ATOM 0 HA2 GLY A 39 -1.640 15.195 -17.346 1.00 65.15 H new ATOM 0 HA3 GLY A 39 -0.548 15.344 -18.708 1.00 65.15 H new ATOM 629 N SER A 40 0.214 12.692 -17.178 1.00 42.33 N ATOM 630 CA SER A 40 0.315 11.240 -17.254 1.00 21.44 C ATOM 631 C SER A 40 0.476 10.633 -15.863 1.00 15.42 C ATOM 632 O SER A 40 1.541 10.725 -15.253 1.00 11.24 O ATOM 633 CB SER A 40 1.496 10.834 -18.138 1.00 52.42 C ATOM 634 OG SER A 40 2.614 11.676 -17.914 1.00 33.25 O ATOM 0 H SER A 40 0.874 13.128 -16.534 1.00 42.33 H new ATOM 0 HA SER A 40 -0.607 10.860 -17.694 1.00 21.44 H new ATOM 0 HB2 SER A 40 1.769 9.799 -17.932 1.00 52.42 H new ATOM 0 HB3 SER A 40 1.203 10.884 -19.187 1.00 52.42 H new ATOM 0 HG SER A 40 2.777 11.754 -16.951 1.00 33.25 H new ATOM 640 N ASP A 41 -0.590 10.014 -15.368 1.00 34.01 N ATOM 641 CA ASP A 41 -0.569 9.391 -14.050 1.00 13.15 C ATOM 642 C ASP A 41 -0.527 7.871 -14.167 1.00 65.25 C ATOM 643 O ASP A 41 0.015 7.185 -13.300 1.00 14.22 O ATOM 644 CB ASP A 41 -1.795 9.818 -13.241 1.00 11.04 C ATOM 645 CG ASP A 41 -1.456 10.834 -12.167 1.00 64.54 C ATOM 646 OD1 ASP A 41 -2.228 10.947 -11.192 1.00 43.42 O ATOM 647 OD2 ASP A 41 -0.417 11.514 -12.302 1.00 73.21 O ATOM 0 H ASP A 41 -1.480 9.930 -15.860 1.00 34.01 H new ATOM 0 HA ASP A 41 0.332 9.723 -13.534 1.00 13.15 H new ATOM 0 HB2 ASP A 41 -2.541 10.240 -13.914 1.00 11.04 H new ATOM 0 HB3 ASP A 41 -2.244 8.940 -12.777 1.00 11.04 H new ATOM 652 N VAL A 42 -1.102 7.350 -15.247 1.00 22.55 N ATOM 653 CA VAL A 42 -1.130 5.910 -15.478 1.00 45.33 C ATOM 654 C VAL A 42 -0.187 5.518 -16.610 1.00 63.31 C ATOM 655 O VAL A 42 -0.112 6.198 -17.634 1.00 34.34 O ATOM 656 CB VAL A 42 -2.551 5.424 -15.817 1.00 31.41 C ATOM 657 CG1 VAL A 42 -2.571 3.913 -15.991 1.00 32.44 C ATOM 658 CG2 VAL A 42 -3.533 5.858 -14.739 1.00 72.15 C ATOM 0 H VAL A 42 -1.554 7.903 -15.975 1.00 22.55 H new ATOM 0 HA VAL A 42 -0.802 5.434 -14.554 1.00 45.33 H new ATOM 0 HB VAL A 42 -2.857 5.878 -16.759 1.00 31.41 H new ATOM 0 HG11 VAL A 42 -3.583 3.588 -16.230 1.00 32.44 H new ATOM 0 HG12 VAL A 42 -1.898 3.631 -16.801 1.00 32.44 H new ATOM 0 HG13 VAL A 42 -2.245 3.436 -15.067 1.00 32.44 H new ATOM 0 HG21 VAL A 42 -4.533 5.506 -14.994 1.00 72.15 H new ATOM 0 HG22 VAL A 42 -3.233 5.434 -13.781 1.00 72.15 H new ATOM 0 HG23 VAL A 42 -3.538 6.946 -14.668 1.00 72.15 H new ATOM 668 N TRP A 43 0.531 4.417 -16.419 1.00 62.23 N ATOM 669 CA TRP A 43 1.470 3.933 -17.425 1.00 71.22 C ATOM 670 C TRP A 43 1.082 2.539 -17.906 1.00 21.34 C ATOM 671 O TRP A 43 1.299 1.548 -17.208 1.00 3.23 O ATOM 672 CB TRP A 43 2.891 3.914 -16.859 1.00 72.23 C ATOM 673 CG TRP A 43 3.919 4.437 -17.817 1.00 35.24 C ATOM 674 CD1 TRP A 43 3.877 4.371 -19.180 1.00 40.31 C ATOM 675 CD2 TRP A 43 5.141 5.103 -17.482 1.00 13.20 C ATOM 676 NE1 TRP A 43 5.000 4.957 -19.713 1.00 71.22 N ATOM 677 CE2 TRP A 43 5.790 5.414 -18.692 1.00 45.45 C ATOM 678 CE3 TRP A 43 5.749 5.469 -16.278 1.00 55.20 C ATOM 679 CZ2 TRP A 43 7.017 6.072 -18.731 1.00 11.31 C ATOM 680 CZ3 TRP A 43 6.966 6.122 -16.318 1.00 31.21 C ATOM 681 CH2 TRP A 43 7.589 6.419 -17.537 1.00 63.32 C ATOM 0 H TRP A 43 0.481 3.843 -15.577 1.00 62.23 H new ATOM 0 HA TRP A 43 1.435 4.613 -18.276 1.00 71.22 H new ATOM 0 HB2 TRP A 43 2.919 4.509 -15.946 1.00 72.23 H new ATOM 0 HB3 TRP A 43 3.150 2.892 -16.581 1.00 72.23 H new ATOM 0 HD1 TRP A 43 3.079 3.924 -19.755 1.00 40.31 H new ATOM 0 HE1 TRP A 43 5.211 5.038 -20.708 1.00 71.22 H new ATOM 0 HE3 TRP A 43 5.276 5.245 -15.333 1.00 55.20 H new ATOM 0 HZ2 TRP A 43 7.500 6.300 -19.670 1.00 11.31 H new ATOM 0 HZ3 TRP A 43 7.445 6.408 -15.393 1.00 31.21 H new ATOM 0 HH2 TRP A 43 8.539 6.932 -17.535 1.00 63.32 H new ATOM 692 N VAL A 44 0.507 2.468 -19.102 1.00 50.30 N ATOM 693 CA VAL A 44 0.090 1.195 -19.676 1.00 62.51 C ATOM 694 C VAL A 44 1.152 0.644 -20.622 1.00 10.15 C ATOM 695 O VAL A 44 1.458 1.251 -21.648 1.00 42.24 O ATOM 696 CB VAL A 44 -1.240 1.332 -20.440 1.00 73.20 C ATOM 697 CG1 VAL A 44 -1.647 -0.002 -21.048 1.00 50.21 C ATOM 698 CG2 VAL A 44 -2.330 1.862 -19.520 1.00 42.35 C ATOM 0 H VAL A 44 0.319 3.278 -19.693 1.00 50.30 H new ATOM 0 HA VAL A 44 -0.047 0.503 -18.845 1.00 62.51 H new ATOM 0 HB VAL A 44 -1.101 2.046 -21.251 1.00 73.20 H new ATOM 0 HG11 VAL A 44 -2.589 0.115 -21.584 1.00 50.21 H new ATOM 0 HG12 VAL A 44 -0.875 -0.337 -21.740 1.00 50.21 H new ATOM 0 HG13 VAL A 44 -1.769 -0.741 -20.256 1.00 50.21 H new ATOM 0 HG21 VAL A 44 -3.263 1.953 -20.076 1.00 42.35 H new ATOM 0 HG22 VAL A 44 -2.470 1.173 -18.687 1.00 42.35 H new ATOM 0 HG23 VAL A 44 -2.039 2.840 -19.137 1.00 42.35 H new ATOM 708 N CYS A 45 1.710 -0.509 -20.269 1.00 12.43 N ATOM 709 CA CYS A 45 2.739 -1.142 -21.086 1.00 53.10 C ATOM 710 C CYS A 45 2.137 -2.229 -21.971 1.00 5.10 C ATOM 711 O CYS A 45 1.925 -3.358 -21.527 1.00 13.32 O ATOM 712 CB CYS A 45 3.831 -1.738 -20.197 1.00 11.44 C ATOM 713 SG CYS A 45 5.241 -2.409 -21.108 1.00 52.12 S ATOM 0 H CYS A 45 1.467 -1.024 -19.423 1.00 12.43 H new ATOM 0 HA CYS A 45 3.180 -0.379 -21.727 1.00 53.10 H new ATOM 0 HB2 CYS A 45 4.188 -0.968 -19.513 1.00 11.44 H new ATOM 0 HB3 CYS A 45 3.396 -2.530 -19.587 1.00 11.44 H new ATOM 0 HG CYS A 45 6.111 -2.888 -20.269 1.00 52.12 H new ATOM 719 N CYS A 46 1.864 -1.881 -23.223 1.00 45.35 N ATOM 720 CA CYS A 46 1.285 -2.826 -24.171 1.00 31.31 C ATOM 721 C CYS A 46 2.334 -3.822 -24.656 1.00 54.30 C ATOM 722 O CYS A 46 3.517 -3.697 -24.339 1.00 23.25 O ATOM 723 CB CYS A 46 0.682 -2.081 -25.362 1.00 75.24 C ATOM 724 SG CYS A 46 -0.746 -1.054 -24.944 1.00 53.34 S ATOM 0 H CYS A 46 2.034 -0.951 -23.606 1.00 45.35 H new ATOM 0 HA CYS A 46 0.496 -3.378 -23.660 1.00 31.31 H new ATOM 0 HB2 CYS A 46 1.451 -1.451 -25.810 1.00 75.24 H new ATOM 0 HB3 CYS A 46 0.385 -2.807 -26.118 1.00 75.24 H new ATOM 0 HG CYS A 46 -1.184 -0.463 -26.016 1.00 53.34 H new ATOM 730 N LEU A 47 1.892 -4.810 -25.426 1.00 31.35 N ATOM 731 CA LEU A 47 2.792 -5.829 -25.954 1.00 21.51 C ATOM 732 C LEU A 47 3.758 -5.229 -26.971 1.00 13.14 C ATOM 733 O LEU A 47 3.505 -4.176 -27.557 1.00 31.22 O ATOM 734 CB LEU A 47 1.991 -6.960 -26.601 1.00 35.31 C ATOM 735 CG LEU A 47 1.769 -6.848 -28.110 1.00 25.22 C ATOM 736 CD1 LEU A 47 0.984 -8.044 -28.625 1.00 21.45 C ATOM 737 CD2 LEU A 47 1.051 -5.550 -28.449 1.00 31.34 C ATOM 0 H LEU A 47 0.916 -4.927 -25.699 1.00 31.35 H new ATOM 0 HA LEU A 47 3.372 -6.231 -25.123 1.00 21.51 H new ATOM 0 HB2 LEU A 47 2.501 -7.902 -26.398 1.00 35.31 H new ATOM 0 HB3 LEU A 47 1.017 -7.013 -26.114 1.00 35.31 H new ATOM 0 HG LEU A 47 2.742 -6.840 -28.601 1.00 25.22 H new ATOM 0 HD11 LEU A 47 0.836 -7.946 -29.700 1.00 21.45 H new ATOM 0 HD12 LEU A 47 1.537 -8.960 -28.417 1.00 21.45 H new ATOM 0 HD13 LEU A 47 0.015 -8.085 -28.128 1.00 21.45 H new ATOM 0 HD21 LEU A 47 0.902 -5.488 -29.527 1.00 31.34 H new ATOM 0 HD22 LEU A 47 0.084 -5.527 -27.947 1.00 31.34 H new ATOM 0 HD23 LEU A 47 1.652 -4.704 -28.116 1.00 31.34 H new ATOM 749 N PRO A 48 4.890 -5.914 -27.187 1.00 44.35 N ATOM 750 CA PRO A 48 5.916 -5.468 -28.136 1.00 34.11 C ATOM 751 C PRO A 48 5.454 -5.582 -29.585 1.00 33.04 C ATOM 752 O PRO A 48 5.325 -6.683 -30.120 1.00 73.10 O ATOM 753 CB PRO A 48 7.083 -6.422 -27.870 1.00 41.32 C ATOM 754 CG PRO A 48 6.450 -7.648 -27.308 1.00 44.14 C ATOM 755 CD PRO A 48 5.257 -7.176 -26.524 1.00 4.01 C ATOM 0 HA PRO A 48 6.168 -4.416 -28.000 1.00 34.11 H new ATOM 0 HB2 PRO A 48 7.630 -6.644 -28.786 1.00 41.32 H new ATOM 0 HB3 PRO A 48 7.797 -5.989 -27.170 1.00 41.32 H new ATOM 0 HG2 PRO A 48 6.149 -8.331 -28.102 1.00 44.14 H new ATOM 0 HG3 PRO A 48 7.148 -8.189 -26.669 1.00 44.14 H new ATOM 0 HD2 PRO A 48 4.442 -7.899 -26.558 1.00 4.01 H new ATOM 0 HD3 PRO A 48 5.502 -7.021 -25.473 1.00 4.01 H new ATOM 763 N ARG A 49 5.207 -4.438 -30.214 1.00 13.22 N ATOM 764 CA ARG A 49 4.758 -4.410 -31.601 1.00 4.12 C ATOM 765 C ARG A 49 5.050 -3.055 -32.239 1.00 65.25 C ATOM 766 O ARG A 49 5.350 -2.971 -33.431 1.00 13.13 O ATOM 767 CB ARG A 49 3.261 -4.711 -31.681 1.00 72.43 C ATOM 768 CG ARG A 49 2.384 -3.591 -31.146 1.00 43.21 C ATOM 769 CD ARG A 49 1.940 -2.652 -32.257 1.00 72.31 C ATOM 770 NE ARG A 49 0.857 -1.772 -31.829 1.00 15.53 N ATOM 771 CZ ARG A 49 -0.410 -2.159 -31.729 1.00 72.15 C ATOM 772 NH1 ARG A 49 -0.751 -3.406 -32.026 1.00 4.20 N ATOM 773 NH2 ARG A 49 -1.339 -1.299 -31.332 1.00 73.14 N ATOM 0 H ARG A 49 5.310 -3.518 -29.785 1.00 13.22 H new ATOM 0 HA ARG A 49 5.305 -5.177 -32.150 1.00 4.12 H new ATOM 0 HB2 ARG A 49 2.993 -4.906 -32.720 1.00 72.43 H new ATOM 0 HB3 ARG A 49 3.052 -5.623 -31.122 1.00 72.43 H new ATOM 0 HG2 ARG A 49 1.508 -4.016 -30.656 1.00 43.21 H new ATOM 0 HG3 ARG A 49 2.931 -3.028 -30.390 1.00 43.21 H new ATOM 0 HD2 ARG A 49 2.788 -2.050 -32.584 1.00 72.31 H new ATOM 0 HD3 ARG A 49 1.614 -3.237 -33.117 1.00 72.31 H new ATOM 0 HE ARG A 49 1.086 -0.806 -31.594 1.00 15.53 H new ATOM 0 HH11 ARG A 49 -0.040 -4.070 -32.332 1.00 4.20 H new ATOM 0 HH12 ARG A 49 -1.724 -3.701 -31.948 1.00 4.20 H new ATOM 0 HH21 ARG A 49 -1.081 -0.339 -31.103 1.00 73.14 H new ATOM 0 HH22 ARG A 49 -2.311 -1.598 -31.256 1.00 73.14 H new ATOM 787 N ASP A 50 4.961 -1.998 -31.440 1.00 31.44 N ATOM 788 CA ASP A 50 5.216 -0.648 -31.926 1.00 50.51 C ATOM 789 C ASP A 50 6.501 -0.087 -31.325 1.00 11.15 C ATOM 790 O ASP A 50 6.762 1.113 -31.402 1.00 42.52 O ATOM 791 CB ASP A 50 4.039 0.269 -31.590 1.00 54.23 C ATOM 792 CG ASP A 50 3.566 1.068 -32.789 1.00 63.22 C ATOM 793 OD1 ASP A 50 4.351 1.895 -33.298 1.00 4.41 O ATOM 794 OD2 ASP A 50 2.412 0.865 -33.220 1.00 30.45 O ATOM 0 H ASP A 50 4.714 -2.050 -30.452 1.00 31.44 H new ATOM 0 HA ASP A 50 5.333 -0.695 -33.009 1.00 50.51 H new ATOM 0 HB2 ASP A 50 3.213 -0.331 -31.208 1.00 54.23 H new ATOM 0 HB3 ASP A 50 4.331 0.953 -30.794 1.00 54.23 H new ATOM 799 N SER A 51 7.299 -0.964 -30.724 1.00 10.10 N ATOM 800 CA SER A 51 8.554 -0.556 -30.105 1.00 5.24 C ATOM 801 C SER A 51 8.297 0.256 -28.839 1.00 40.50 C ATOM 802 O SER A 51 8.624 1.442 -28.771 1.00 3.03 O ATOM 803 CB SER A 51 9.391 0.264 -31.089 1.00 55.12 C ATOM 804 OG SER A 51 10.772 0.167 -30.789 1.00 61.24 O ATOM 0 H SER A 51 7.098 -1.962 -30.653 1.00 10.10 H new ATOM 0 HA SER A 51 9.105 -1.456 -29.833 1.00 5.24 H new ATOM 0 HB2 SER A 51 9.211 -0.087 -32.105 1.00 55.12 H new ATOM 0 HB3 SER A 51 9.080 1.308 -31.053 1.00 55.12 H new ATOM 0 HG SER A 51 11.285 0.699 -31.433 1.00 61.24 H new ATOM 810 N LEU A 52 7.708 -0.390 -27.839 1.00 4.43 N ATOM 811 CA LEU A 52 7.406 0.271 -26.574 1.00 0.22 C ATOM 812 C LEU A 52 6.367 1.371 -26.769 1.00 32.44 C ATOM 813 O LEU A 52 6.700 2.555 -26.814 1.00 4.23 O ATOM 814 CB LEU A 52 8.680 0.860 -25.966 1.00 3.10 C ATOM 815 CG LEU A 52 9.266 0.105 -24.773 1.00 30.54 C ATOM 816 CD1 LEU A 52 9.619 -1.322 -25.165 1.00 13.21 C ATOM 817 CD2 LEU A 52 10.490 0.829 -24.231 1.00 71.13 C ATOM 0 H LEU A 52 7.430 -1.371 -27.879 1.00 4.43 H new ATOM 0 HA LEU A 52 6.996 -0.474 -25.892 1.00 0.22 H new ATOM 0 HB2 LEU A 52 9.440 0.913 -26.746 1.00 3.10 H new ATOM 0 HB3 LEU A 52 8.471 1.884 -25.655 1.00 3.10 H new ATOM 0 HG LEU A 52 8.513 0.068 -23.986 1.00 30.54 H new ATOM 0 HD11 LEU A 52 10.035 -1.844 -24.303 1.00 13.21 H new ATOM 0 HD12 LEU A 52 8.721 -1.839 -25.504 1.00 13.21 H new ATOM 0 HD13 LEU A 52 10.354 -1.307 -25.969 1.00 13.21 H new ATOM 0 HD21 LEU A 52 10.893 0.277 -23.382 1.00 71.13 H new ATOM 0 HD22 LEU A 52 11.247 0.898 -25.012 1.00 71.13 H new ATOM 0 HD23 LEU A 52 10.207 1.832 -23.910 1.00 71.13 H new ATOM 829 N THR A 53 5.104 0.971 -26.882 1.00 32.14 N ATOM 830 CA THR A 53 4.015 1.921 -27.070 1.00 43.42 C ATOM 831 C THR A 53 3.373 2.294 -25.739 1.00 25.34 C ATOM 832 O THR A 53 2.150 2.380 -25.630 1.00 55.12 O ATOM 833 CB THR A 53 2.932 1.356 -28.009 1.00 5.41 C ATOM 834 OG1 THR A 53 3.465 0.268 -28.772 1.00 41.22 O ATOM 835 CG2 THR A 53 2.414 2.435 -28.948 1.00 12.12 C ATOM 0 H THR A 53 4.810 -0.005 -26.847 1.00 32.14 H new ATOM 0 HA THR A 53 4.449 2.812 -27.523 1.00 43.42 H new ATOM 0 HB THR A 53 2.103 0.999 -27.399 1.00 5.41 H new ATOM 0 HG1 THR A 53 2.749 -0.368 -28.979 1.00 41.22 H new ATOM 0 HG21 THR A 53 1.650 2.013 -29.601 1.00 12.12 H new ATOM 0 HG22 THR A 53 1.983 3.249 -28.365 1.00 12.12 H new ATOM 0 HG23 THR A 53 3.237 2.818 -29.552 1.00 12.12 H new ATOM 843 N LEU A 54 4.206 2.514 -24.727 1.00 70.12 N ATOM 844 CA LEU A 54 3.719 2.878 -23.401 1.00 43.31 C ATOM 845 C LEU A 54 2.785 4.082 -23.476 1.00 3.04 C ATOM 846 O LEU A 54 3.168 5.148 -23.958 1.00 13.01 O ATOM 847 CB LEU A 54 4.895 3.187 -22.472 1.00 14.11 C ATOM 848 CG LEU A 54 6.004 2.136 -22.422 1.00 4.45 C ATOM 849 CD1 LEU A 54 7.370 2.796 -22.540 1.00 34.12 C ATOM 850 CD2 LEU A 54 5.912 1.324 -21.138 1.00 52.01 C ATOM 0 H LEU A 54 5.221 2.447 -24.800 1.00 70.12 H new ATOM 0 HA LEU A 54 3.160 2.032 -23.001 1.00 43.31 H new ATOM 0 HB2 LEU A 54 5.335 4.136 -22.779 1.00 14.11 H new ATOM 0 HB3 LEU A 54 4.508 3.326 -21.463 1.00 14.11 H new ATOM 0 HG LEU A 54 5.875 1.459 -23.267 1.00 4.45 H new ATOM 0 HD11 LEU A 54 8.147 2.033 -22.502 1.00 34.12 H new ATOM 0 HD12 LEU A 54 7.434 3.333 -23.486 1.00 34.12 H new ATOM 0 HD13 LEU A 54 7.508 3.496 -21.716 1.00 34.12 H new ATOM 0 HD21 LEU A 54 6.709 0.581 -21.120 1.00 52.01 H new ATOM 0 HD22 LEU A 54 6.015 1.988 -20.280 1.00 52.01 H new ATOM 0 HD23 LEU A 54 4.946 0.821 -21.094 1.00 52.01 H new ATOM 862 N SER A 55 1.560 3.904 -22.993 1.00 13.31 N ATOM 863 CA SER A 55 0.570 4.975 -23.006 1.00 42.32 C ATOM 864 C SER A 55 0.516 5.681 -21.655 1.00 14.22 C ATOM 865 O SER A 55 0.273 5.054 -20.624 1.00 55.31 O ATOM 866 CB SER A 55 -0.810 4.419 -23.360 1.00 33.43 C ATOM 867 OG SER A 55 -1.312 5.013 -24.545 1.00 24.34 O ATOM 0 H SER A 55 1.229 3.028 -22.588 1.00 13.31 H new ATOM 0 HA SER A 55 0.866 5.701 -23.764 1.00 42.32 H new ATOM 0 HB2 SER A 55 -0.748 3.339 -23.490 1.00 33.43 H new ATOM 0 HB3 SER A 55 -1.501 4.602 -22.537 1.00 33.43 H new ATOM 0 HG SER A 55 -2.194 4.639 -24.750 1.00 24.34 H new ATOM 873 N ALA A 56 0.744 6.990 -21.669 1.00 13.45 N ATOM 874 CA ALA A 56 0.719 7.783 -20.446 1.00 12.15 C ATOM 875 C ALA A 56 -0.426 8.790 -20.467 1.00 50.12 C ATOM 876 O ALA A 56 -0.539 9.596 -21.390 1.00 44.31 O ATOM 877 CB ALA A 56 2.049 8.497 -20.252 1.00 74.21 C ATOM 0 H ALA A 56 0.948 7.524 -22.514 1.00 13.45 H new ATOM 0 HA ALA A 56 0.557 7.106 -19.607 1.00 12.15 H new ATOM 0 HB1 ALA A 56 2.016 9.085 -19.335 1.00 74.21 H new ATOM 0 HB2 ALA A 56 2.850 7.761 -20.182 1.00 74.21 H new ATOM 0 HB3 ALA A 56 2.235 9.157 -21.100 1.00 74.21 H new ATOM 883 N ALA A 57 -1.274 8.737 -19.445 1.00 42.41 N ATOM 884 CA ALA A 57 -2.409 9.646 -19.347 1.00 13.02 C ATOM 885 C ALA A 57 -2.849 9.821 -17.897 1.00 63.40 C ATOM 886 O ALA A 57 -2.862 8.864 -17.123 1.00 54.24 O ATOM 887 CB ALA A 57 -3.567 9.138 -20.194 1.00 23.14 C ATOM 0 H ALA A 57 -1.196 8.074 -18.674 1.00 42.41 H new ATOM 0 HA ALA A 57 -2.096 10.620 -19.725 1.00 13.02 H new ATOM 0 HB1 ALA A 57 -4.408 9.827 -20.111 1.00 23.14 H new ATOM 0 HB2 ALA A 57 -3.254 9.071 -21.236 1.00 23.14 H new ATOM 0 HB3 ALA A 57 -3.870 8.152 -19.842 1.00 23.14 H new ATOM 893 N ASN A 58 -3.207 11.049 -17.536 1.00 24.42 N ATOM 894 CA ASN A 58 -3.645 11.348 -16.178 1.00 14.43 C ATOM 895 C ASN A 58 -5.108 11.783 -16.162 1.00 42.10 C ATOM 896 O ASN A 58 -5.438 12.900 -16.559 1.00 53.35 O ATOM 897 CB ASN A 58 -2.770 12.444 -15.567 1.00 5.04 C ATOM 898 CG ASN A 58 -3.080 12.682 -14.101 1.00 44.14 C ATOM 899 OD1 ASN A 58 -3.972 12.052 -13.534 1.00 54.30 O ATOM 900 ND2 ASN A 58 -2.342 13.596 -13.481 1.00 65.44 N ATOM 0 H ASN A 58 -3.202 11.852 -18.165 1.00 24.42 H new ATOM 0 HA ASN A 58 -3.547 10.440 -15.583 1.00 14.43 H new ATOM 0 HB2 ASN A 58 -1.721 12.169 -15.674 1.00 5.04 H new ATOM 0 HB3 ASN A 58 -2.914 13.371 -16.121 1.00 5.04 H new ATOM 0 HD21 ASN A 58 -2.505 13.800 -12.495 1.00 65.44 H new ATOM 0 HD22 ASN A 58 -1.613 14.094 -13.991 1.00 65.44 H new ATOM 907 N SER A 59 -5.979 10.892 -15.700 1.00 13.45 N ATOM 908 CA SER A 59 -7.407 11.182 -15.635 1.00 1.33 C ATOM 909 C SER A 59 -7.933 11.629 -16.995 1.00 41.33 C ATOM 910 O SER A 59 -8.865 12.428 -17.080 1.00 31.02 O ATOM 911 CB SER A 59 -7.682 12.264 -14.588 1.00 73.13 C ATOM 912 OG SER A 59 -8.741 11.883 -13.727 1.00 73.33 O ATOM 0 H SER A 59 -5.721 9.964 -15.365 1.00 13.45 H new ATOM 0 HA SER A 59 -7.926 10.268 -15.347 1.00 1.33 H new ATOM 0 HB2 SER A 59 -6.781 12.445 -14.003 1.00 73.13 H new ATOM 0 HB3 SER A 59 -7.933 13.201 -15.086 1.00 73.13 H new ATOM 0 HG SER A 59 -8.896 12.590 -13.066 1.00 73.33 H new ATOM 918 N GLU A 60 -7.327 11.108 -18.057 1.00 71.45 N ATOM 919 CA GLU A 60 -7.734 11.454 -19.414 1.00 64.44 C ATOM 920 C GLU A 60 -8.234 10.222 -20.163 1.00 64.34 C ATOM 921 O GLU A 60 -9.064 10.326 -21.067 1.00 25.32 O ATOM 922 CB GLU A 60 -6.566 12.087 -20.174 1.00 54.14 C ATOM 923 CG GLU A 60 -6.276 13.520 -19.760 1.00 32.22 C ATOM 924 CD GLU A 60 -5.393 14.248 -20.755 1.00 34.30 C ATOM 925 OE1 GLU A 60 -4.268 14.636 -20.376 1.00 74.11 O ATOM 926 OE2 GLU A 60 -5.827 14.429 -21.912 1.00 11.33 O ATOM 0 H GLU A 60 -6.553 10.445 -18.004 1.00 71.45 H new ATOM 0 HA GLU A 60 -8.550 12.174 -19.349 1.00 64.44 H new ATOM 0 HB2 GLU A 60 -5.672 11.484 -20.017 1.00 54.14 H new ATOM 0 HB3 GLU A 60 -6.783 12.063 -21.242 1.00 54.14 H new ATOM 0 HG2 GLU A 60 -7.217 14.060 -19.652 1.00 32.22 H new ATOM 0 HG3 GLU A 60 -5.793 13.521 -18.783 1.00 32.22 H new ATOM 933 N ASP A 61 -7.722 9.057 -19.782 1.00 32.44 N ATOM 934 CA ASP A 61 -8.116 7.804 -20.416 1.00 33.02 C ATOM 935 C ASP A 61 -9.322 7.192 -19.708 1.00 45.43 C ATOM 936 O ASP A 61 -9.207 6.689 -18.591 1.00 73.24 O ATOM 937 CB ASP A 61 -6.950 6.815 -20.409 1.00 45.13 C ATOM 938 CG ASP A 61 -7.266 5.541 -21.168 1.00 41.41 C ATOM 939 OD1 ASP A 61 -6.887 5.448 -22.355 1.00 34.32 O ATOM 940 OD2 ASP A 61 -7.891 4.638 -20.575 1.00 72.22 O ATOM 0 H ASP A 61 -7.033 8.954 -19.037 1.00 32.44 H new ATOM 0 HA ASP A 61 -8.393 8.020 -21.448 1.00 33.02 H new ATOM 0 HB2 ASP A 61 -6.073 7.289 -20.850 1.00 45.13 H new ATOM 0 HB3 ASP A 61 -6.694 6.567 -19.379 1.00 45.13 H new ATOM 945 N GLU A 62 -10.476 7.241 -20.366 1.00 45.45 N ATOM 946 CA GLU A 62 -11.702 6.694 -19.799 1.00 21.43 C ATOM 947 C GLU A 62 -12.623 6.170 -20.897 1.00 15.53 C ATOM 948 O GLU A 62 -13.833 6.052 -20.703 1.00 65.31 O ATOM 949 CB GLU A 62 -12.428 7.758 -18.973 1.00 25.23 C ATOM 950 CG GLU A 62 -12.927 7.251 -17.630 1.00 64.42 C ATOM 951 CD GLU A 62 -13.910 8.202 -16.976 1.00 23.20 C ATOM 952 OE1 GLU A 62 -13.561 9.389 -16.805 1.00 74.03 O ATOM 953 OE2 GLU A 62 -15.026 7.760 -16.635 1.00 34.43 O ATOM 0 H GLU A 62 -10.587 7.654 -21.292 1.00 45.45 H new ATOM 0 HA GLU A 62 -11.431 5.862 -19.149 1.00 21.43 H new ATOM 0 HB2 GLU A 62 -11.755 8.599 -18.807 1.00 25.23 H new ATOM 0 HB3 GLU A 62 -13.274 8.136 -19.546 1.00 25.23 H new ATOM 0 HG2 GLU A 62 -13.403 6.280 -17.767 1.00 64.42 H new ATOM 0 HG3 GLU A 62 -12.077 7.099 -16.965 1.00 64.42 H new ATOM 960 N GLY A 63 -12.042 5.860 -22.051 1.00 62.43 N ATOM 961 CA GLY A 63 -12.825 5.354 -23.164 1.00 24.33 C ATOM 962 C GLY A 63 -13.354 3.956 -22.912 1.00 21.31 C ATOM 963 O GLY A 63 -14.432 3.787 -22.343 1.00 52.33 O ATOM 0 H GLY A 63 -11.043 5.950 -22.236 1.00 62.43 H new ATOM 0 HA2 GLY A 63 -13.661 6.027 -23.352 1.00 24.33 H new ATOM 0 HA3 GLY A 63 -12.211 5.350 -24.064 1.00 24.33 H new ATOM 967 N GLN A 64 -12.594 2.952 -23.337 1.00 73.54 N ATOM 968 CA GLN A 64 -12.995 1.561 -23.157 1.00 12.34 C ATOM 969 C GLN A 64 -11.863 0.744 -22.544 1.00 30.43 C ATOM 970 O GLN A 64 -10.749 0.719 -23.067 1.00 63.10 O ATOM 971 CB GLN A 64 -13.414 0.951 -24.495 1.00 52.02 C ATOM 972 CG GLN A 64 -14.865 1.222 -24.860 1.00 42.30 C ATOM 973 CD GLN A 64 -15.784 0.074 -24.492 1.00 3.22 C ATOM 974 OE1 GLN A 64 -16.343 0.039 -23.395 1.00 71.45 O ATOM 975 NE2 GLN A 64 -15.945 -0.873 -25.409 1.00 3.14 N ATOM 0 H GLN A 64 -11.698 3.075 -23.808 1.00 73.54 H new ATOM 0 HA GLN A 64 -13.845 1.540 -22.475 1.00 12.34 H new ATOM 0 HB2 GLN A 64 -12.771 1.345 -25.282 1.00 52.02 H new ATOM 0 HB3 GLN A 64 -13.252 -0.126 -24.460 1.00 52.02 H new ATOM 0 HG2 GLN A 64 -15.200 2.127 -24.353 1.00 42.30 H new ATOM 0 HG3 GLN A 64 -14.937 1.411 -25.931 1.00 42.30 H new ATOM 0 HE21 GLN A 64 -15.462 -0.803 -26.305 1.00 3.14 H new ATOM 0 HE22 GLN A 64 -16.552 -1.670 -25.218 1.00 3.14 H new ATOM 984 N ILE A 65 -12.156 0.077 -21.433 1.00 30.45 N ATOM 985 CA ILE A 65 -11.163 -0.742 -20.749 1.00 65.43 C ATOM 986 C ILE A 65 -11.804 -1.974 -20.119 1.00 54.14 C ATOM 987 O ILE A 65 -12.926 -1.913 -19.615 1.00 3.40 O ATOM 988 CB ILE A 65 -10.430 0.057 -19.656 1.00 23.13 C ATOM 989 CG1 ILE A 65 -9.420 -0.836 -18.931 1.00 42.43 C ATOM 990 CG2 ILE A 65 -11.429 0.644 -18.670 1.00 5.22 C ATOM 991 CD1 ILE A 65 -8.130 -0.127 -18.581 1.00 31.45 C ATOM 0 H ILE A 65 -13.073 0.088 -20.987 1.00 30.45 H new ATOM 0 HA ILE A 65 -10.442 -1.057 -21.503 1.00 65.43 H new ATOM 0 HB ILE A 65 -9.889 0.877 -20.127 1.00 23.13 H new ATOM 0 HG12 ILE A 65 -9.875 -1.218 -18.017 1.00 42.43 H new ATOM 0 HG13 ILE A 65 -9.193 -1.698 -19.558 1.00 42.43 H new ATOM 0 HG21 ILE A 65 -10.896 1.206 -17.903 1.00 5.22 H new ATOM 0 HG22 ILE A 65 -12.113 1.309 -19.197 1.00 5.22 H new ATOM 0 HG23 ILE A 65 -11.995 -0.162 -18.202 1.00 5.22 H new ATOM 0 HD11 ILE A 65 -7.461 -0.819 -18.070 1.00 31.45 H new ATOM 0 HD12 ILE A 65 -7.653 0.231 -19.493 1.00 31.45 H new ATOM 0 HD13 ILE A 65 -8.345 0.719 -17.928 1.00 31.45 H new ATOM 1003 N ARG A 66 -11.085 -3.091 -20.151 1.00 1.23 N ATOM 1004 CA ARG A 66 -11.584 -4.337 -19.582 1.00 62.22 C ATOM 1005 C ARG A 66 -10.532 -4.986 -18.687 1.00 61.03 C ATOM 1006 O ARG A 66 -9.332 -4.867 -18.936 1.00 1.02 O ATOM 1007 CB ARG A 66 -11.988 -5.305 -20.696 1.00 13.30 C ATOM 1008 CG ARG A 66 -13.390 -5.065 -21.232 1.00 51.50 C ATOM 1009 CD ARG A 66 -14.425 -5.880 -20.472 1.00 45.00 C ATOM 1010 NE ARG A 66 -15.621 -6.127 -21.271 1.00 75.44 N ATOM 1011 CZ ARG A 66 -16.676 -6.802 -20.827 1.00 25.53 C ATOM 1012 NH1 ARG A 66 -16.681 -7.294 -19.595 1.00 63.45 N ATOM 1013 NH2 ARG A 66 -17.728 -6.986 -21.614 1.00 63.10 N ATOM 0 H ARG A 66 -10.155 -3.159 -20.565 1.00 1.23 H new ATOM 0 HA ARG A 66 -12.459 -4.105 -18.975 1.00 62.22 H new ATOM 0 HB2 ARG A 66 -11.275 -5.220 -21.516 1.00 13.30 H new ATOM 0 HB3 ARG A 66 -11.921 -6.326 -20.320 1.00 13.30 H new ATOM 0 HG2 ARG A 66 -13.633 -4.005 -21.156 1.00 51.50 H new ATOM 0 HG3 ARG A 66 -13.426 -5.325 -22.290 1.00 51.50 H new ATOM 0 HD2 ARG A 66 -13.987 -6.832 -20.171 1.00 45.00 H new ATOM 0 HD3 ARG A 66 -14.702 -5.353 -19.559 1.00 45.00 H new ATOM 0 HE ARG A 66 -15.649 -5.761 -22.223 1.00 75.44 H new ATOM 0 HH11 ARG A 66 -15.874 -7.154 -18.987 1.00 63.45 H new ATOM 0 HH12 ARG A 66 -17.492 -7.812 -19.256 1.00 63.45 H new ATOM 0 HH21 ARG A 66 -17.728 -6.609 -22.562 1.00 63.10 H new ATOM 0 HH22 ARG A 66 -18.537 -7.504 -21.271 1.00 63.10 H new ATOM 1027 N TYR A 67 -10.990 -5.671 -17.646 1.00 32.51 N ATOM 1028 CA TYR A 67 -10.089 -6.337 -16.712 1.00 51.43 C ATOM 1029 C TYR A 67 -9.720 -7.731 -17.210 1.00 53.45 C ATOM 1030 O TYR A 67 -10.592 -8.548 -17.506 1.00 34.02 O ATOM 1031 CB TYR A 67 -10.734 -6.431 -15.328 1.00 62.44 C ATOM 1032 CG TYR A 67 -11.060 -5.087 -14.719 1.00 3.42 C ATOM 1033 CD1 TYR A 67 -10.056 -4.273 -14.207 1.00 14.30 C ATOM 1034 CD2 TYR A 67 -12.370 -4.630 -14.654 1.00 33.34 C ATOM 1035 CE1 TYR A 67 -10.349 -3.044 -13.648 1.00 53.44 C ATOM 1036 CE2 TYR A 67 -12.672 -3.402 -14.098 1.00 72.12 C ATOM 1037 CZ TYR A 67 -11.658 -2.613 -13.597 1.00 15.52 C ATOM 1038 OH TYR A 67 -11.955 -1.389 -13.041 1.00 53.04 O ATOM 0 H TYR A 67 -11.980 -5.780 -17.427 1.00 32.51 H new ATOM 0 HA TYR A 67 -9.177 -5.744 -16.641 1.00 51.43 H new ATOM 0 HB2 TYR A 67 -11.649 -7.018 -15.402 1.00 62.44 H new ATOM 0 HB3 TYR A 67 -10.063 -6.970 -14.660 1.00 62.44 H new ATOM 0 HD1 TYR A 67 -9.030 -4.607 -14.247 1.00 14.30 H new ATOM 0 HD2 TYR A 67 -13.167 -5.246 -15.045 1.00 33.34 H new ATOM 0 HE1 TYR A 67 -9.557 -2.424 -13.253 1.00 53.44 H new ATOM 0 HE2 TYR A 67 -13.696 -3.062 -14.056 1.00 72.12 H new ATOM 0 HH TYR A 67 -12.922 -1.236 -13.084 1.00 53.04 H new ATOM 1048 N PHE A 68 -8.421 -7.995 -17.301 1.00 31.03 N ATOM 1049 CA PHE A 68 -7.935 -9.290 -17.763 1.00 43.42 C ATOM 1050 C PHE A 68 -7.217 -10.033 -16.641 1.00 22.41 C ATOM 1051 O PHE A 68 -6.518 -9.428 -15.827 1.00 30.01 O ATOM 1052 CB PHE A 68 -6.992 -9.108 -18.955 1.00 30.14 C ATOM 1053 CG PHE A 68 -6.603 -10.401 -19.614 1.00 10.44 C ATOM 1054 CD1 PHE A 68 -5.372 -10.982 -19.356 1.00 42.42 C ATOM 1055 CD2 PHE A 68 -7.468 -11.034 -20.491 1.00 34.12 C ATOM 1056 CE1 PHE A 68 -5.011 -12.171 -19.961 1.00 22.13 C ATOM 1057 CE2 PHE A 68 -7.113 -12.224 -21.098 1.00 11.22 C ATOM 1058 CZ PHE A 68 -5.882 -12.792 -20.833 1.00 74.44 C ATOM 0 H PHE A 68 -7.686 -7.330 -17.061 1.00 31.03 H new ATOM 0 HA PHE A 68 -8.795 -9.883 -18.075 1.00 43.42 H new ATOM 0 HB2 PHE A 68 -7.471 -8.463 -19.692 1.00 30.14 H new ATOM 0 HB3 PHE A 68 -6.091 -8.594 -18.620 1.00 30.14 H new ATOM 0 HD1 PHE A 68 -4.687 -10.500 -18.674 1.00 42.42 H new ATOM 0 HD2 PHE A 68 -8.431 -10.593 -20.703 1.00 34.12 H new ATOM 0 HE1 PHE A 68 -4.048 -12.614 -19.752 1.00 22.13 H new ATOM 0 HE2 PHE A 68 -7.797 -12.709 -21.779 1.00 11.22 H new ATOM 0 HZ PHE A 68 -5.602 -13.721 -21.308 1.00 74.44 H new ATOM 1068 N LEU A 69 -7.394 -11.349 -16.603 1.00 73.44 N ATOM 1069 CA LEU A 69 -6.764 -12.178 -15.581 1.00 14.40 C ATOM 1070 C LEU A 69 -7.135 -13.646 -15.765 1.00 11.31 C ATOM 1071 O LEU A 69 -6.280 -14.505 -15.978 1.00 21.41 O ATOM 1072 CB LEU A 69 -7.180 -11.706 -14.187 1.00 13.43 C ATOM 1073 CG LEU A 69 -6.091 -11.028 -13.355 1.00 1.41 C ATOM 1074 CD1 LEU A 69 -6.698 -9.984 -12.430 1.00 24.34 C ATOM 1075 CD2 LEU A 69 -5.309 -12.061 -12.557 1.00 3.41 C ATOM 0 H LEU A 69 -7.969 -11.865 -17.269 1.00 73.44 H new ATOM 0 HA LEU A 69 -5.683 -12.080 -15.684 1.00 14.40 H new ATOM 0 HB2 LEU A 69 -8.013 -11.011 -14.294 1.00 13.43 H new ATOM 0 HB3 LEU A 69 -7.552 -12.566 -13.630 1.00 13.43 H new ATOM 0 HG LEU A 69 -5.402 -10.525 -14.034 1.00 1.41 H new ATOM 0 HD11 LEU A 69 -5.908 -9.512 -11.846 1.00 24.34 H new ATOM 0 HD12 LEU A 69 -7.212 -9.228 -13.023 1.00 24.34 H new ATOM 0 HD13 LEU A 69 -7.409 -10.463 -11.758 1.00 24.34 H new ATOM 0 HD21 LEU A 69 -4.538 -11.561 -11.971 1.00 3.41 H new ATOM 0 HD22 LEU A 69 -5.986 -12.593 -11.888 1.00 3.41 H new ATOM 0 HD23 LEU A 69 -4.842 -12.771 -13.240 1.00 3.41 H new ATOM 1087 N PRO A 70 -8.441 -13.941 -15.683 1.00 61.33 N ATOM 1088 CA PRO A 70 -8.955 -15.305 -15.841 1.00 12.04 C ATOM 1089 C PRO A 70 -8.830 -15.810 -17.274 1.00 12.10 C ATOM 1090 O PRO A 70 -9.020 -16.996 -17.543 1.00 71.20 O ATOM 1091 CB PRO A 70 -10.428 -15.176 -15.445 1.00 74.34 C ATOM 1092 CG PRO A 70 -10.769 -13.750 -15.711 1.00 24.41 C ATOM 1093 CD PRO A 70 -9.516 -12.967 -15.432 1.00 2.14 C ATOM 0 HA PRO A 70 -8.398 -16.023 -15.238 1.00 12.04 H new ATOM 0 HB2 PRO A 70 -11.055 -15.849 -16.030 1.00 74.34 H new ATOM 0 HB3 PRO A 70 -10.580 -15.430 -14.396 1.00 74.34 H new ATOM 0 HG2 PRO A 70 -11.094 -13.612 -16.742 1.00 24.41 H new ATOM 0 HG3 PRO A 70 -11.587 -13.418 -15.072 1.00 24.41 H new ATOM 0 HD2 PRO A 70 -9.431 -12.098 -16.085 1.00 2.14 H new ATOM 0 HD3 PRO A 70 -9.493 -12.598 -14.406 1.00 2.14 H new ATOM 1101 N ASP A 71 -8.510 -14.903 -18.190 1.00 3.31 N ATOM 1102 CA ASP A 71 -8.358 -15.257 -19.596 1.00 42.14 C ATOM 1103 C ASP A 71 -9.580 -16.019 -20.100 1.00 3.30 C ATOM 1104 O ASP A 71 -9.458 -16.953 -20.892 1.00 23.30 O ATOM 1105 CB ASP A 71 -7.097 -16.099 -19.799 1.00 51.11 C ATOM 1106 CG ASP A 71 -6.006 -15.757 -18.803 1.00 52.03 C ATOM 1107 OD1 ASP A 71 -5.807 -14.554 -18.531 1.00 20.44 O ATOM 1108 OD2 ASP A 71 -5.352 -16.692 -18.296 1.00 53.11 O ATOM 0 H ASP A 71 -8.351 -13.917 -17.984 1.00 3.31 H new ATOM 0 HA ASP A 71 -8.266 -14.335 -20.169 1.00 42.14 H new ATOM 0 HB2 ASP A 71 -7.350 -17.155 -19.708 1.00 51.11 H new ATOM 0 HB3 ASP A 71 -6.722 -15.948 -20.811 1.00 51.11 H new ATOM 1113 N ARG A 72 -10.757 -15.613 -19.634 1.00 64.53 N ATOM 1114 CA ARG A 72 -12.001 -16.259 -20.036 1.00 25.44 C ATOM 1115 C ARG A 72 -13.096 -15.226 -20.278 1.00 14.41 C ATOM 1116 O ARG A 72 -14.283 -15.520 -20.137 1.00 75.12 O ATOM 1117 CB ARG A 72 -12.451 -17.255 -18.965 1.00 75.03 C ATOM 1118 CG ARG A 72 -13.020 -18.545 -19.534 1.00 51.21 C ATOM 1119 CD ARG A 72 -11.994 -19.666 -19.505 1.00 63.54 C ATOM 1120 NE ARG A 72 -12.460 -20.853 -20.217 1.00 61.34 N ATOM 1121 CZ ARG A 72 -12.431 -20.976 -21.540 1.00 12.52 C ATOM 1122 NH1 ARG A 72 -11.961 -19.989 -22.290 1.00 44.20 N ATOM 1123 NH2 ARG A 72 -12.873 -22.087 -22.114 1.00 53.14 N ATOM 0 H ARG A 72 -10.875 -14.841 -18.978 1.00 64.53 H new ATOM 0 HA ARG A 72 -11.819 -16.795 -20.968 1.00 25.44 H new ATOM 0 HB2 ARG A 72 -11.603 -17.494 -18.323 1.00 75.03 H new ATOM 0 HB3 ARG A 72 -13.204 -16.782 -18.335 1.00 75.03 H new ATOM 0 HG2 ARG A 72 -13.899 -18.840 -18.961 1.00 51.21 H new ATOM 0 HG3 ARG A 72 -13.349 -18.378 -20.560 1.00 51.21 H new ATOM 0 HD2 ARG A 72 -11.063 -19.317 -19.952 1.00 63.54 H new ATOM 0 HD3 ARG A 72 -11.772 -19.928 -18.470 1.00 63.54 H new ATOM 0 HE ARG A 72 -12.828 -21.630 -19.669 1.00 61.34 H new ATOM 0 HH11 ARG A 72 -11.621 -19.133 -21.852 1.00 44.20 H new ATOM 0 HH12 ARG A 72 -11.940 -20.086 -23.305 1.00 44.20 H new ATOM 0 HH21 ARG A 72 -13.236 -22.848 -21.540 1.00 53.14 H new ATOM 0 HH22 ARG A 72 -12.850 -22.180 -23.129 1.00 53.14 H new ATOM 1137 N ASP A 73 -12.690 -14.014 -20.642 1.00 22.50 N ATOM 1138 CA ASP A 73 -13.637 -12.937 -20.904 1.00 44.24 C ATOM 1139 C ASP A 73 -13.955 -12.844 -22.393 1.00 43.44 C ATOM 1140 O ASP A 73 -14.186 -11.756 -22.921 1.00 32.21 O ATOM 1141 CB ASP A 73 -13.076 -11.604 -20.405 1.00 72.15 C ATOM 1142 CG ASP A 73 -14.135 -10.522 -20.332 1.00 52.34 C ATOM 1143 OD1 ASP A 73 -13.788 -9.337 -20.526 1.00 31.51 O ATOM 1144 OD2 ASP A 73 -15.311 -10.859 -20.083 1.00 12.23 O ATOM 0 H ASP A 73 -11.711 -13.753 -20.762 1.00 22.50 H new ATOM 0 HA ASP A 73 -14.559 -13.158 -20.367 1.00 44.24 H new ATOM 0 HB2 ASP A 73 -12.636 -11.745 -19.418 1.00 72.15 H new ATOM 0 HB3 ASP A 73 -12.274 -11.279 -21.068 1.00 72.15 H new ATOM 1149 N GLU A 74 -13.963 -13.991 -23.065 1.00 31.03 N ATOM 1150 CA GLU A 74 -14.251 -14.037 -24.493 1.00 61.34 C ATOM 1151 C GLU A 74 -13.253 -13.189 -25.277 1.00 54.01 C ATOM 1152 O GLU A 74 -13.625 -12.479 -26.210 1.00 44.53 O ATOM 1153 CB GLU A 74 -15.676 -13.550 -24.765 1.00 63.23 C ATOM 1154 CG GLU A 74 -16.745 -14.377 -24.071 1.00 5.05 C ATOM 1155 CD GLU A 74 -18.146 -14.023 -24.529 1.00 62.13 C ATOM 1156 OE1 GLU A 74 -19.083 -14.788 -24.216 1.00 44.44 O ATOM 1157 OE2 GLU A 74 -18.306 -12.983 -25.201 1.00 1.31 O ATOM 0 H GLU A 74 -13.773 -14.900 -22.643 1.00 31.03 H new ATOM 0 HA GLU A 74 -14.160 -15.072 -24.823 1.00 61.34 H new ATOM 0 HB2 GLU A 74 -15.764 -12.513 -24.442 1.00 63.23 H new ATOM 0 HB3 GLU A 74 -15.857 -13.566 -25.840 1.00 63.23 H new ATOM 0 HG2 GLU A 74 -16.561 -15.434 -24.261 1.00 5.05 H new ATOM 0 HG3 GLU A 74 -16.671 -14.229 -22.994 1.00 5.05 H new ATOM 1164 N GLY A 75 -11.984 -13.269 -24.889 1.00 50.03 N ATOM 1165 CA GLY A 75 -10.952 -12.504 -25.565 1.00 14.33 C ATOM 1166 C GLY A 75 -9.654 -13.274 -25.700 1.00 71.24 C ATOM 1167 O GLY A 75 -8.967 -13.172 -26.717 1.00 15.04 O ATOM 0 H GLY A 75 -11.652 -13.850 -24.119 1.00 50.03 H new ATOM 0 HA2 GLY A 75 -11.306 -12.218 -26.556 1.00 14.33 H new ATOM 0 HA3 GLY A 75 -10.768 -11.582 -25.014 1.00 14.33 H new ATOM 1171 N MET A 76 -9.316 -14.046 -24.673 1.00 21.30 N ATOM 1172 CA MET A 76 -8.090 -14.837 -24.682 1.00 54.44 C ATOM 1173 C MET A 76 -7.982 -15.656 -25.964 1.00 43.15 C ATOM 1174 O MET A 76 -6.883 -15.921 -26.451 1.00 41.11 O ATOM 1175 CB MET A 76 -8.046 -15.763 -23.466 1.00 34.32 C ATOM 1176 CG MET A 76 -6.919 -16.782 -23.518 1.00 54.12 C ATOM 1177 SD MET A 76 -7.453 -18.375 -24.173 1.00 42.12 S ATOM 1178 CE MET A 76 -7.494 -19.359 -22.677 1.00 63.44 C ATOM 0 H MET A 76 -9.873 -14.141 -23.824 1.00 21.30 H new ATOM 0 HA MET A 76 -7.244 -14.151 -24.637 1.00 54.44 H new ATOM 0 HB2 MET A 76 -7.938 -15.160 -22.564 1.00 34.32 H new ATOM 0 HB3 MET A 76 -8.997 -16.289 -23.386 1.00 34.32 H new ATOM 0 HG2 MET A 76 -6.110 -16.392 -24.136 1.00 54.12 H new ATOM 0 HG3 MET A 76 -6.515 -16.923 -22.515 1.00 54.12 H new ATOM 0 HE1 MET A 76 -7.808 -20.375 -22.918 1.00 63.44 H new ATOM 0 HE2 MET A 76 -6.500 -19.383 -22.230 1.00 63.44 H new ATOM 0 HE3 MET A 76 -8.199 -18.919 -21.972 1.00 63.44 H new ATOM 1188 N MET A 77 -9.128 -16.054 -26.506 1.00 32.21 N ATOM 1189 CA MET A 77 -9.161 -16.843 -27.732 1.00 45.22 C ATOM 1190 C MET A 77 -8.518 -16.080 -28.886 1.00 55.44 C ATOM 1191 O MET A 77 -7.774 -16.652 -29.682 1.00 11.41 O ATOM 1192 CB MET A 77 -10.602 -17.212 -28.089 1.00 2.14 C ATOM 1193 CG MET A 77 -11.515 -16.008 -28.250 1.00 53.23 C ATOM 1194 SD MET A 77 -13.243 -16.472 -28.473 1.00 14.24 S ATOM 1195 CE MET A 77 -13.902 -14.980 -29.213 1.00 11.21 C ATOM 0 H MET A 77 -10.046 -15.843 -26.116 1.00 32.21 H new ATOM 0 HA MET A 77 -8.592 -17.757 -27.562 1.00 45.22 H new ATOM 0 HB2 MET A 77 -10.603 -17.785 -29.016 1.00 2.14 H new ATOM 0 HB3 MET A 77 -11.005 -17.862 -27.312 1.00 2.14 H new ATOM 0 HG2 MET A 77 -11.425 -15.369 -27.372 1.00 53.23 H new ATOM 0 HG3 MET A 77 -11.187 -15.420 -29.107 1.00 53.23 H new ATOM 0 HE1 MET A 77 -14.966 -15.111 -29.411 1.00 11.21 H new ATOM 0 HE2 MET A 77 -13.761 -14.142 -28.530 1.00 11.21 H new ATOM 0 HE3 MET A 77 -13.381 -14.777 -30.149 1.00 11.21 H new ATOM 1205 N GLU A 78 -8.812 -14.786 -28.971 1.00 12.23 N ATOM 1206 CA GLU A 78 -8.264 -13.946 -30.029 1.00 64.00 C ATOM 1207 C GLU A 78 -6.943 -13.317 -29.595 1.00 11.44 C ATOM 1208 O GLU A 78 -6.148 -12.882 -30.427 1.00 11.30 O ATOM 1209 CB GLU A 78 -9.262 -12.851 -30.411 1.00 22.20 C ATOM 1210 CG GLU A 78 -10.638 -13.382 -30.775 1.00 32.33 C ATOM 1211 CD GLU A 78 -11.348 -12.514 -31.795 1.00 42.31 C ATOM 1212 OE1 GLU A 78 -10.962 -12.558 -32.982 1.00 61.31 O ATOM 1213 OE2 GLU A 78 -12.288 -11.790 -31.407 1.00 52.43 O ATOM 0 H GLU A 78 -9.426 -14.297 -28.320 1.00 12.23 H new ATOM 0 HA GLU A 78 -8.078 -14.577 -30.898 1.00 64.00 H new ATOM 0 HB2 GLU A 78 -9.359 -12.154 -29.579 1.00 22.20 H new ATOM 0 HB3 GLU A 78 -8.864 -12.287 -31.255 1.00 22.20 H new ATOM 0 HG2 GLU A 78 -10.540 -14.393 -31.170 1.00 32.33 H new ATOM 0 HG3 GLU A 78 -11.247 -13.449 -29.874 1.00 32.33 H new ATOM 1220 N GLU A 79 -6.718 -13.272 -28.285 1.00 51.31 N ATOM 1221 CA GLU A 79 -5.495 -12.694 -27.740 1.00 71.22 C ATOM 1222 C GLU A 79 -4.497 -13.786 -27.368 1.00 24.42 C ATOM 1223 O GLU A 79 -3.579 -13.561 -26.580 1.00 31.54 O ATOM 1224 CB GLU A 79 -5.812 -11.838 -26.513 1.00 11.44 C ATOM 1225 CG GLU A 79 -5.233 -10.435 -26.583 1.00 45.22 C ATOM 1226 CD GLU A 79 -6.276 -9.389 -26.927 1.00 64.32 C ATOM 1227 OE1 GLU A 79 -5.940 -8.438 -27.663 1.00 55.44 O ATOM 1228 OE2 GLU A 79 -7.426 -9.522 -26.460 1.00 71.25 O ATOM 0 H GLU A 79 -7.366 -13.628 -27.583 1.00 51.31 H new ATOM 0 HA GLU A 79 -5.048 -12.063 -28.508 1.00 71.22 H new ATOM 0 HB2 GLU A 79 -6.894 -11.770 -26.398 1.00 11.44 H new ATOM 0 HB3 GLU A 79 -5.427 -12.337 -25.623 1.00 11.44 H new ATOM 0 HG2 GLU A 79 -4.777 -10.186 -25.625 1.00 45.22 H new ATOM 0 HG3 GLU A 79 -4.439 -10.410 -27.330 1.00 45.22 H new ATOM 1235 N GLY A 80 -4.683 -14.972 -27.941 1.00 54.40 N ATOM 1236 CA GLY A 80 -3.793 -16.082 -27.657 1.00 2.40 C ATOM 1237 C GLY A 80 -3.885 -17.180 -28.698 1.00 3.31 C ATOM 1238 O GLY A 80 -2.878 -17.788 -29.060 1.00 63.34 O ATOM 0 H GLY A 80 -5.435 -15.183 -28.597 1.00 54.40 H new ATOM 0 HA2 GLY A 80 -2.767 -15.717 -27.608 1.00 2.40 H new ATOM 0 HA3 GLY A 80 -4.032 -16.494 -26.677 1.00 2.40 H new ATOM 1242 N LYS A 81 -5.096 -17.436 -29.180 1.00 12.02 N ATOM 1243 CA LYS A 81 -5.317 -18.469 -30.185 1.00 55.52 C ATOM 1244 C LYS A 81 -5.459 -17.854 -31.574 1.00 64.22 C ATOM 1245 O LYS A 81 -5.989 -18.483 -32.491 1.00 52.52 O ATOM 1246 CB LYS A 81 -6.570 -19.280 -29.845 1.00 64.24 C ATOM 1247 CG LYS A 81 -6.335 -20.781 -29.824 1.00 5.43 C ATOM 1248 CD LYS A 81 -6.882 -21.412 -28.555 1.00 25.44 C ATOM 1249 CE LYS A 81 -5.866 -21.359 -27.423 1.00 72.53 C ATOM 1250 NZ LYS A 81 -6.148 -22.381 -26.377 1.00 65.43 N ATOM 0 H LYS A 81 -5.940 -16.942 -28.891 1.00 12.02 H new ATOM 0 HA LYS A 81 -4.451 -19.132 -30.186 1.00 55.52 H new ATOM 0 HB2 LYS A 81 -6.943 -18.965 -28.870 1.00 64.24 H new ATOM 0 HB3 LYS A 81 -7.349 -19.053 -30.573 1.00 64.24 H new ATOM 0 HG2 LYS A 81 -6.810 -21.237 -30.692 1.00 5.43 H new ATOM 0 HG3 LYS A 81 -5.267 -20.984 -29.902 1.00 5.43 H new ATOM 0 HD2 LYS A 81 -7.792 -20.894 -28.253 1.00 25.44 H new ATOM 0 HD3 LYS A 81 -7.156 -22.449 -28.752 1.00 25.44 H new ATOM 0 HE2 LYS A 81 -4.865 -21.517 -27.825 1.00 72.53 H new ATOM 0 HE3 LYS A 81 -5.875 -20.366 -26.973 1.00 72.53 H new ATOM 0 HZ1 LYS A 81 -5.434 -22.313 -25.624 1.00 65.43 H new ATOM 0 HZ2 LYS A 81 -7.093 -22.215 -25.975 1.00 65.43 H new ATOM 0 HZ3 LYS A 81 -6.114 -23.330 -26.801 1.00 65.43 H new ATOM 1264 N LEU A 82 -4.980 -16.624 -31.723 1.00 64.24 N ATOM 1265 CA LEU A 82 -5.051 -15.925 -33.002 1.00 22.21 C ATOM 1266 C LEU A 82 -3.683 -15.381 -33.402 1.00 72.21 C ATOM 1267 O LEU A 82 -3.171 -15.692 -34.478 1.00 11.42 O ATOM 1268 CB LEU A 82 -6.064 -14.782 -32.925 1.00 33.03 C ATOM 1269 CG LEU A 82 -7.336 -14.955 -33.756 1.00 32.45 C ATOM 1270 CD1 LEU A 82 -8.290 -13.794 -33.520 1.00 60.52 C ATOM 1271 CD2 LEU A 82 -6.995 -15.077 -35.234 1.00 13.34 C ATOM 0 H LEU A 82 -4.538 -16.090 -30.975 1.00 64.24 H new ATOM 0 HA LEU A 82 -5.374 -16.638 -33.760 1.00 22.21 H new ATOM 0 HB2 LEU A 82 -6.351 -14.647 -31.882 1.00 33.03 H new ATOM 0 HB3 LEU A 82 -5.570 -13.863 -33.241 1.00 33.03 H new ATOM 0 HG LEU A 82 -7.831 -15.874 -33.441 1.00 32.45 H new ATOM 0 HD11 LEU A 82 -9.189 -13.934 -34.120 1.00 60.52 H new ATOM 0 HD12 LEU A 82 -8.560 -13.754 -32.465 1.00 60.52 H new ATOM 0 HD13 LEU A 82 -7.805 -12.861 -33.806 1.00 60.52 H new ATOM 0 HD21 LEU A 82 -7.912 -15.199 -35.810 1.00 13.34 H new ATOM 0 HD22 LEU A 82 -6.477 -14.176 -35.563 1.00 13.34 H new ATOM 0 HD23 LEU A 82 -6.351 -15.943 -35.389 1.00 13.34 H new ATOM 1283 N ASP A 83 -3.096 -14.570 -32.529 1.00 32.32 N ATOM 1284 CA ASP A 83 -1.786 -13.986 -32.789 1.00 41.53 C ATOM 1285 C ASP A 83 -0.764 -14.462 -31.761 1.00 53.43 C ATOM 1286 O ASP A 83 -0.972 -14.324 -30.556 1.00 64.01 O ATOM 1287 CB ASP A 83 -1.873 -12.459 -32.771 1.00 45.44 C ATOM 1288 CG ASP A 83 -3.186 -11.947 -33.329 1.00 41.44 C ATOM 1289 OD1 ASP A 83 -3.455 -12.183 -34.526 1.00 30.11 O ATOM 1290 OD2 ASP A 83 -3.945 -11.310 -32.569 1.00 70.23 O ATOM 0 H ASP A 83 -3.507 -14.302 -31.635 1.00 32.32 H new ATOM 0 HA ASP A 83 -1.459 -14.313 -33.776 1.00 41.53 H new ATOM 0 HB2 ASP A 83 -1.753 -12.103 -31.748 1.00 45.44 H new ATOM 0 HB3 ASP A 83 -1.049 -12.044 -33.351 1.00 45.44 H new ATOM 1295 N ALA A 84 0.338 -15.023 -32.246 1.00 44.24 N ATOM 1296 CA ALA A 84 1.392 -15.518 -31.370 1.00 64.30 C ATOM 1297 C ALA A 84 1.921 -14.410 -30.465 1.00 75.15 C ATOM 1298 O ALA A 84 2.412 -14.673 -29.368 1.00 15.13 O ATOM 1299 CB ALA A 84 2.525 -16.116 -32.192 1.00 52.11 C ATOM 0 H ALA A 84 0.524 -15.146 -33.241 1.00 44.24 H new ATOM 0 HA ALA A 84 0.967 -16.296 -30.737 1.00 64.30 H new ATOM 0 HB1 ALA A 84 3.305 -16.482 -31.524 1.00 52.11 H new ATOM 0 HB2 ALA A 84 2.143 -16.943 -32.791 1.00 52.11 H new ATOM 0 HB3 ALA A 84 2.939 -15.352 -32.850 1.00 52.11 H new ATOM 1305 N SER A 85 1.817 -13.170 -30.934 1.00 31.52 N ATOM 1306 CA SER A 85 2.288 -12.022 -30.169 1.00 25.34 C ATOM 1307 C SER A 85 1.437 -11.815 -28.920 1.00 21.14 C ATOM 1308 O SER A 85 1.954 -11.494 -27.849 1.00 21.22 O ATOM 1309 CB SER A 85 2.261 -10.760 -31.033 1.00 64.42 C ATOM 1310 OG SER A 85 2.794 -11.014 -32.322 1.00 12.42 O ATOM 0 H SER A 85 1.411 -12.935 -31.840 1.00 31.52 H new ATOM 0 HA SER A 85 3.314 -12.220 -29.860 1.00 25.34 H new ATOM 0 HB2 SER A 85 1.236 -10.399 -31.124 1.00 64.42 H new ATOM 0 HB3 SER A 85 2.835 -9.971 -30.548 1.00 64.42 H new ATOM 0 HG SER A 85 2.764 -10.193 -32.856 1.00 12.42 H new ATOM 1316 N CYS A 86 0.130 -12.001 -29.065 1.00 51.32 N ATOM 1317 CA CYS A 86 -0.795 -11.834 -27.950 1.00 0.43 C ATOM 1318 C CYS A 86 -0.644 -12.970 -26.943 1.00 42.43 C ATOM 1319 O CYS A 86 -0.675 -12.748 -25.733 1.00 74.42 O ATOM 1320 CB CYS A 86 -2.236 -11.776 -28.459 1.00 42.31 C ATOM 1321 SG CYS A 86 -2.547 -10.445 -29.643 1.00 72.22 S ATOM 0 H CYS A 86 -0.313 -12.268 -29.944 1.00 51.32 H new ATOM 0 HA CYS A 86 -0.556 -10.895 -27.450 1.00 0.43 H new ATOM 0 HB2 CYS A 86 -2.484 -12.729 -28.927 1.00 42.31 H new ATOM 0 HB3 CYS A 86 -2.906 -11.655 -27.608 1.00 42.31 H new ATOM 0 HG CYS A 86 -3.199 -10.916 -30.664 1.00 72.22 H new ATOM 1327 N ALA A 87 -0.481 -14.186 -27.452 1.00 72.53 N ATOM 1328 CA ALA A 87 -0.325 -15.357 -26.598 1.00 60.22 C ATOM 1329 C ALA A 87 0.967 -15.280 -25.792 1.00 64.45 C ATOM 1330 O ALA A 87 0.993 -15.616 -24.608 1.00 43.51 O ATOM 1331 CB ALA A 87 -0.353 -16.628 -27.434 1.00 71.14 C ATOM 0 H ALA A 87 -0.453 -14.386 -28.452 1.00 72.53 H new ATOM 0 HA ALA A 87 -1.159 -15.378 -25.897 1.00 60.22 H new ATOM 0 HB1 ALA A 87 -0.235 -17.494 -26.783 1.00 71.14 H new ATOM 0 HB2 ALA A 87 -1.305 -16.696 -27.961 1.00 71.14 H new ATOM 0 HB3 ALA A 87 0.461 -16.605 -28.158 1.00 71.14 H new ATOM 1337 N VAL A 88 2.039 -14.838 -26.442 1.00 42.33 N ATOM 1338 CA VAL A 88 3.335 -14.717 -25.786 1.00 4.32 C ATOM 1339 C VAL A 88 3.340 -13.565 -24.787 1.00 1.10 C ATOM 1340 O VAL A 88 3.889 -13.682 -23.692 1.00 2.11 O ATOM 1341 CB VAL A 88 4.465 -14.498 -26.810 1.00 31.21 C ATOM 1342 CG1 VAL A 88 5.785 -14.237 -26.101 1.00 63.22 C ATOM 1343 CG2 VAL A 88 4.578 -15.696 -27.741 1.00 51.43 C ATOM 0 H VAL A 88 2.035 -14.558 -27.423 1.00 42.33 H new ATOM 0 HA VAL A 88 3.510 -15.654 -25.257 1.00 4.32 H new ATOM 0 HB VAL A 88 4.224 -13.621 -27.410 1.00 31.21 H new ATOM 0 HG11 VAL A 88 6.571 -14.085 -26.840 1.00 63.22 H new ATOM 0 HG12 VAL A 88 5.694 -13.346 -25.479 1.00 63.22 H new ATOM 0 HG13 VAL A 88 6.037 -15.093 -25.475 1.00 63.22 H new ATOM 0 HG21 VAL A 88 5.381 -15.525 -28.458 1.00 51.43 H new ATOM 0 HG22 VAL A 88 4.797 -16.591 -27.158 1.00 51.43 H new ATOM 0 HG23 VAL A 88 3.637 -15.832 -28.275 1.00 51.43 H new ATOM 1353 N ALA A 89 2.724 -12.452 -25.172 1.00 72.33 N ATOM 1354 CA ALA A 89 2.655 -11.279 -24.310 1.00 34.44 C ATOM 1355 C ALA A 89 1.893 -11.587 -23.025 1.00 33.10 C ATOM 1356 O ALA A 89 2.323 -11.216 -21.933 1.00 5.32 O ATOM 1357 CB ALA A 89 2.003 -10.119 -25.047 1.00 75.43 C ATOM 0 H ALA A 89 2.265 -12.338 -26.076 1.00 72.33 H new ATOM 0 HA ALA A 89 3.673 -10.997 -24.040 1.00 34.44 H new ATOM 0 HB1 ALA A 89 1.958 -9.250 -24.391 1.00 75.43 H new ATOM 0 HB2 ALA A 89 2.589 -9.875 -25.933 1.00 75.43 H new ATOM 0 HB3 ALA A 89 0.993 -10.400 -25.346 1.00 75.43 H new ATOM 1363 N ILE A 90 0.759 -12.266 -23.163 1.00 62.52 N ATOM 1364 CA ILE A 90 -0.062 -12.624 -22.013 1.00 2.20 C ATOM 1365 C ILE A 90 0.631 -13.670 -21.147 1.00 21.22 C ATOM 1366 O ILE A 90 0.705 -13.529 -19.927 1.00 24.03 O ATOM 1367 CB ILE A 90 -1.437 -13.163 -22.449 1.00 20.23 C ATOM 1368 CG1 ILE A 90 -2.225 -12.078 -23.185 1.00 12.35 C ATOM 1369 CG2 ILE A 90 -2.216 -13.665 -21.242 1.00 3.22 C ATOM 1370 CD1 ILE A 90 -3.481 -12.591 -23.853 1.00 72.21 C ATOM 0 H ILE A 90 0.388 -12.579 -24.060 1.00 62.52 H new ATOM 0 HA ILE A 90 -0.206 -11.713 -21.432 1.00 2.20 H new ATOM 0 HB ILE A 90 -1.283 -13.999 -23.131 1.00 20.23 H new ATOM 0 HG12 ILE A 90 -2.494 -11.293 -22.478 1.00 12.35 H new ATOM 0 HG13 ILE A 90 -1.583 -11.622 -23.939 1.00 12.35 H new ATOM 0 HG21 ILE A 90 -3.186 -14.043 -21.566 1.00 3.22 H new ATOM 0 HG22 ILE A 90 -1.658 -14.466 -20.756 1.00 3.22 H new ATOM 0 HG23 ILE A 90 -2.363 -12.846 -20.537 1.00 3.22 H new ATOM 0 HD11 ILE A 90 -3.988 -11.767 -24.355 1.00 72.21 H new ATOM 0 HD12 ILE A 90 -3.218 -13.355 -24.585 1.00 72.21 H new ATOM 0 HD13 ILE A 90 -4.143 -13.021 -23.101 1.00 72.21 H new ATOM 1382 N GLU A 91 1.138 -14.719 -21.787 1.00 44.12 N ATOM 1383 CA GLU A 91 1.827 -15.789 -21.074 1.00 55.23 C ATOM 1384 C GLU A 91 2.998 -15.238 -20.266 1.00 71.20 C ATOM 1385 O GLU A 91 3.275 -15.703 -19.161 1.00 64.52 O ATOM 1386 CB GLU A 91 2.325 -16.849 -22.058 1.00 43.05 C ATOM 1387 CG GLU A 91 2.771 -18.138 -21.390 1.00 20.43 C ATOM 1388 CD GLU A 91 2.038 -19.355 -21.921 1.00 51.20 C ATOM 1389 OE1 GLU A 91 0.791 -19.316 -21.980 1.00 70.22 O ATOM 1390 OE2 GLU A 91 2.710 -20.345 -22.277 1.00 43.22 O ATOM 0 H GLU A 91 1.085 -14.851 -22.797 1.00 44.12 H new ATOM 0 HA GLU A 91 1.118 -16.248 -20.385 1.00 55.23 H new ATOM 0 HB2 GLU A 91 1.530 -17.074 -22.769 1.00 43.05 H new ATOM 0 HB3 GLU A 91 3.158 -16.439 -22.630 1.00 43.05 H new ATOM 0 HG2 GLU A 91 3.842 -18.269 -21.541 1.00 20.43 H new ATOM 0 HG3 GLU A 91 2.608 -18.061 -20.315 1.00 20.43 H new ATOM 1397 N GLU A 92 3.681 -14.245 -20.826 1.00 62.04 N ATOM 1398 CA GLU A 92 4.823 -13.632 -20.158 1.00 64.34 C ATOM 1399 C GLU A 92 4.367 -12.747 -19.003 1.00 12.53 C ATOM 1400 O GLU A 92 4.939 -12.785 -17.914 1.00 2.40 O ATOM 1401 CB GLU A 92 5.643 -12.809 -21.154 1.00 0.52 C ATOM 1402 CG GLU A 92 6.376 -13.652 -22.184 1.00 12.32 C ATOM 1403 CD GLU A 92 7.856 -13.785 -21.883 1.00 11.43 C ATOM 1404 OE1 GLU A 92 8.673 -13.464 -22.771 1.00 53.25 O ATOM 1405 OE2 GLU A 92 8.198 -14.209 -20.759 1.00 73.33 O ATOM 0 H GLU A 92 3.464 -13.848 -21.740 1.00 62.04 H new ATOM 0 HA GLU A 92 5.448 -14.430 -19.756 1.00 64.34 H new ATOM 0 HB2 GLU A 92 4.980 -12.115 -21.671 1.00 0.52 H new ATOM 0 HB3 GLU A 92 6.369 -12.209 -20.605 1.00 0.52 H new ATOM 0 HG2 GLU A 92 5.926 -14.644 -22.222 1.00 12.32 H new ATOM 0 HG3 GLU A 92 6.248 -13.206 -23.170 1.00 12.32 H new ATOM 1412 N ALA A 93 3.332 -11.949 -19.249 1.00 24.31 N ATOM 1413 CA ALA A 93 2.798 -11.055 -18.230 1.00 34.14 C ATOM 1414 C ALA A 93 2.407 -11.826 -16.973 1.00 43.20 C ATOM 1415 O ALA A 93 2.742 -11.424 -15.858 1.00 53.32 O ATOM 1416 CB ALA A 93 1.601 -10.289 -18.774 1.00 71.55 C ATOM 0 H ALA A 93 2.847 -11.904 -20.145 1.00 24.31 H new ATOM 0 HA ALA A 93 3.579 -10.344 -17.961 1.00 34.14 H new ATOM 0 HB1 ALA A 93 1.212 -9.625 -18.002 1.00 71.55 H new ATOM 0 HB2 ALA A 93 1.908 -9.700 -19.638 1.00 71.55 H new ATOM 0 HB3 ALA A 93 0.824 -10.993 -19.072 1.00 71.55 H new ATOM 1422 N ILE A 94 1.698 -12.934 -17.160 1.00 43.35 N ATOM 1423 CA ILE A 94 1.263 -13.760 -16.041 1.00 63.24 C ATOM 1424 C ILE A 94 2.423 -14.572 -15.474 1.00 50.21 C ATOM 1425 O ILE A 94 2.484 -14.827 -14.272 1.00 22.22 O ATOM 1426 CB ILE A 94 0.134 -14.721 -16.457 1.00 33.21 C ATOM 1427 CG1 ILE A 94 0.639 -15.713 -17.507 1.00 33.02 C ATOM 1428 CG2 ILE A 94 -1.058 -13.939 -16.989 1.00 21.21 C ATOM 1429 CD1 ILE A 94 -0.429 -16.663 -18.004 1.00 2.33 C ATOM 0 H ILE A 94 1.413 -13.280 -18.076 1.00 43.35 H new ATOM 0 HA ILE A 94 0.888 -13.082 -15.275 1.00 63.24 H new ATOM 0 HB ILE A 94 -0.187 -15.282 -15.579 1.00 33.21 H new ATOM 0 HG12 ILE A 94 1.043 -15.159 -18.354 1.00 33.02 H new ATOM 0 HG13 ILE A 94 1.460 -16.292 -17.083 1.00 33.02 H new ATOM 0 HG21 ILE A 94 -1.848 -14.632 -17.279 1.00 21.21 H new ATOM 0 HG22 ILE A 94 -1.430 -13.270 -16.213 1.00 21.21 H new ATOM 0 HG23 ILE A 94 -0.752 -13.354 -17.857 1.00 21.21 H new ATOM 0 HD11 ILE A 94 -0.000 -17.337 -18.746 1.00 2.33 H new ATOM 0 HD12 ILE A 94 -0.817 -17.244 -17.167 1.00 2.33 H new ATOM 0 HD13 ILE A 94 -1.240 -16.093 -18.458 1.00 2.33 H new ATOM 1441 N GLN A 95 3.341 -14.972 -16.348 1.00 30.43 N ATOM 1442 CA GLN A 95 4.500 -15.754 -15.933 1.00 32.20 C ATOM 1443 C GLN A 95 5.388 -14.952 -14.988 1.00 11.32 C ATOM 1444 O GLN A 95 6.047 -15.513 -14.111 1.00 73.04 O ATOM 1445 CB GLN A 95 5.306 -16.198 -17.155 1.00 34.51 C ATOM 1446 CG GLN A 95 6.638 -16.840 -16.804 1.00 62.53 C ATOM 1447 CD GLN A 95 7.189 -17.694 -17.930 1.00 33.14 C ATOM 1448 OE1 GLN A 95 6.659 -18.765 -18.229 1.00 12.34 O ATOM 1449 NE2 GLN A 95 8.258 -17.224 -18.561 1.00 41.11 N ATOM 0 H GLN A 95 3.305 -14.768 -17.347 1.00 30.43 H new ATOM 0 HA GLN A 95 4.140 -16.636 -15.403 1.00 32.20 H new ATOM 0 HB2 GLN A 95 4.712 -16.905 -17.734 1.00 34.51 H new ATOM 0 HB3 GLN A 95 5.486 -15.334 -17.795 1.00 34.51 H new ATOM 0 HG2 GLN A 95 7.359 -16.061 -16.558 1.00 62.53 H new ATOM 0 HG3 GLN A 95 6.517 -17.455 -15.912 1.00 62.53 H new ATOM 0 HE21 GLN A 95 8.665 -16.332 -18.280 1.00 41.11 H new ATOM 0 HE22 GLN A 95 8.673 -17.755 -19.327 1.00 41.11 H new ATOM 1458 N LEU A 96 5.402 -13.636 -15.171 1.00 74.14 N ATOM 1459 CA LEU A 96 6.210 -12.755 -14.335 1.00 35.31 C ATOM 1460 C LEU A 96 5.426 -12.299 -13.109 1.00 13.05 C ATOM 1461 O LEU A 96 5.965 -12.232 -12.004 1.00 23.01 O ATOM 1462 CB LEU A 96 6.673 -11.540 -15.139 1.00 43.43 C ATOM 1463 CG LEU A 96 7.617 -11.828 -16.307 1.00 51.14 C ATOM 1464 CD1 LEU A 96 7.432 -10.797 -17.410 1.00 74.22 C ATOM 1465 CD2 LEU A 96 9.062 -11.850 -15.832 1.00 45.55 C ATOM 0 H LEU A 96 4.863 -13.156 -15.891 1.00 74.14 H new ATOM 0 HA LEU A 96 7.083 -13.314 -13.998 1.00 35.31 H new ATOM 0 HB2 LEU A 96 5.792 -11.029 -15.528 1.00 43.43 H new ATOM 0 HB3 LEU A 96 7.169 -10.847 -14.459 1.00 43.43 H new ATOM 0 HG LEU A 96 7.374 -12.810 -16.712 1.00 51.14 H new ATOM 0 HD11 LEU A 96 8.112 -11.018 -18.233 1.00 74.22 H new ATOM 0 HD12 LEU A 96 6.404 -10.830 -17.770 1.00 74.22 H new ATOM 0 HD13 LEU A 96 7.647 -9.803 -17.019 1.00 74.22 H new ATOM 0 HD21 LEU A 96 9.720 -12.056 -16.677 1.00 45.55 H new ATOM 0 HD22 LEU A 96 9.318 -10.882 -15.401 1.00 45.55 H new ATOM 0 HD23 LEU A 96 9.185 -12.627 -15.078 1.00 45.55 H new ATOM 1477 N TYR A 97 4.150 -11.988 -13.310 1.00 61.33 N ATOM 1478 CA TYR A 97 3.292 -11.538 -12.221 1.00 74.31 C ATOM 1479 C TYR A 97 3.206 -12.594 -11.123 1.00 74.22 C ATOM 1480 O TYR A 97 3.253 -12.275 -9.936 1.00 32.12 O ATOM 1481 CB TYR A 97 1.891 -11.218 -12.747 1.00 3.35 C ATOM 1482 CG TYR A 97 1.080 -10.345 -11.815 1.00 62.15 C ATOM 1483 CD1 TYR A 97 1.632 -9.205 -11.244 1.00 52.10 C ATOM 1484 CD2 TYR A 97 -0.237 -10.661 -11.506 1.00 60.04 C ATOM 1485 CE1 TYR A 97 0.895 -8.405 -10.392 1.00 51.12 C ATOM 1486 CE2 TYR A 97 -0.982 -9.866 -10.657 1.00 23.11 C ATOM 1487 CZ TYR A 97 -0.411 -8.739 -10.102 1.00 74.42 C ATOM 1488 OH TYR A 97 -1.150 -7.946 -9.254 1.00 44.34 O ATOM 0 H TYR A 97 3.687 -12.039 -14.218 1.00 61.33 H new ATOM 0 HA TYR A 97 3.730 -10.634 -11.797 1.00 74.31 H new ATOM 0 HB2 TYR A 97 1.979 -10.720 -13.713 1.00 3.35 H new ATOM 0 HB3 TYR A 97 1.354 -12.151 -12.917 1.00 3.35 H new ATOM 0 HD1 TYR A 97 2.654 -8.940 -11.470 1.00 52.10 H new ATOM 0 HD2 TYR A 97 -0.686 -11.544 -11.937 1.00 60.04 H new ATOM 0 HE1 TYR A 97 1.339 -7.523 -9.956 1.00 51.12 H new ATOM 0 HE2 TYR A 97 -2.005 -10.125 -10.429 1.00 23.11 H new ATOM 0 HH TYR A 97 -2.050 -8.321 -9.157 1.00 44.34 H new ATOM 1498 N GLU A 98 3.080 -13.853 -11.531 1.00 33.32 N ATOM 1499 CA GLU A 98 2.987 -14.957 -10.582 1.00 50.12 C ATOM 1500 C GLU A 98 4.375 -15.463 -10.199 1.00 73.11 C ATOM 1501 O GLU A 98 4.509 -16.470 -9.505 1.00 71.32 O ATOM 1502 CB GLU A 98 2.161 -16.100 -11.175 1.00 72.20 C ATOM 1503 CG GLU A 98 1.065 -16.602 -10.250 1.00 73.32 C ATOM 1504 CD GLU A 98 -0.047 -15.589 -10.059 1.00 71.04 C ATOM 1505 OE1 GLU A 98 -0.715 -15.634 -9.005 1.00 53.12 O ATOM 1506 OE2 GLU A 98 -0.249 -14.752 -10.964 1.00 14.15 O ATOM 0 H GLU A 98 3.040 -14.134 -12.511 1.00 33.32 H new ATOM 0 HA GLU A 98 2.492 -14.589 -9.683 1.00 50.12 H new ATOM 0 HB2 GLU A 98 1.711 -15.765 -12.110 1.00 72.20 H new ATOM 0 HB3 GLU A 98 2.826 -16.928 -11.420 1.00 72.20 H new ATOM 0 HG2 GLU A 98 0.646 -17.523 -10.655 1.00 73.32 H new ATOM 0 HG3 GLU A 98 1.498 -16.848 -9.280 1.00 73.32 H new ATOM 1513 N GLU A 99 5.403 -14.757 -10.657 1.00 43.53 N ATOM 1514 CA GLU A 99 6.781 -15.135 -10.364 1.00 35.12 C ATOM 1515 C GLU A 99 7.438 -14.119 -9.434 1.00 33.21 C ATOM 1516 O GLU A 99 8.391 -14.439 -8.724 1.00 51.22 O ATOM 1517 CB GLU A 99 7.587 -15.254 -11.659 1.00 22.35 C ATOM 1518 CG GLU A 99 9.079 -15.431 -11.432 1.00 42.21 C ATOM 1519 CD GLU A 99 9.754 -16.192 -12.556 1.00 71.44 C ATOM 1520 OE1 GLU A 99 10.478 -15.557 -13.351 1.00 63.21 O ATOM 1521 OE2 GLU A 99 9.557 -17.423 -12.642 1.00 5.50 O ATOM 0 H GLU A 99 5.308 -13.920 -11.232 1.00 43.53 H new ATOM 0 HA GLU A 99 6.767 -16.103 -9.864 1.00 35.12 H new ATOM 0 HB2 GLU A 99 7.212 -16.101 -12.234 1.00 22.35 H new ATOM 0 HB3 GLU A 99 7.423 -14.361 -12.263 1.00 22.35 H new ATOM 0 HG2 GLU A 99 9.546 -14.451 -11.330 1.00 42.21 H new ATOM 0 HG3 GLU A 99 9.240 -15.960 -10.493 1.00 42.21 H new