USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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 60 ASN : amide:sc= -6.04! C(o=-7.3!,f=-16!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -1.22 USER MOD Set 2.1: A 36 MET CE :methyl -179:sc= -0.117 (180deg=-0.121) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.07 K(o=-1.2,f=-2.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.299! USER MOD Single : A 8 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= -0.793 (180deg=-1.12) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 90:sc= 0.884 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.687 K(o=0.69,f=-3.3!) USER MOD Single : A 44 THR OG1 : rot 49:sc= 0.28 USER MOD Single : A 49 GLN : amide:sc= -0.0613 K(o=-0.061,f=-1.6!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.53! C(o=-3.5!,f=-4.8!) USER MOD Single : A 70 THR OG1 : rot 55:sc= 0.728 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.79) USER MOD Single : B 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -162:sc= -0.0231 (180deg=-0.448) USER MOD Single : B 65 MET CE :methyl -132:sc= -0.178 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -0.989 -16.831 -5.725 1.00 0.00 N ATOM 62 CA THR A 5 0.270 -17.263 -6.329 1.00 0.00 C ATOM 63 C THR A 5 1.454 -16.651 -5.584 1.00 0.00 C ATOM 64 O THR A 5 1.276 -15.889 -4.636 1.00 0.00 O ATOM 65 CB THR A 5 0.332 -16.839 -7.796 1.00 0.00 C ATOM 66 OG1 THR A 5 1.618 -17.141 -8.316 1.00 0.00 O ATOM 67 CG2 THR A 5 0.072 -15.335 -7.906 1.00 0.00 C ATOM 0 HA THR A 5 0.321 -18.350 -6.263 1.00 0.00 H new ATOM 0 HB THR A 5 -0.427 -17.376 -8.365 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.662 -16.872 -9.257 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.116 -15.034 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.915 -15.106 -7.504 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.829 -14.793 -7.340 1.00 0.00 H new ATOM 75 N GLU A 6 2.663 -16.983 -6.025 1.00 0.00 N ATOM 76 CA GLU A 6 3.867 -16.451 -5.392 1.00 0.00 C ATOM 77 C GLU A 6 3.911 -14.936 -5.530 1.00 0.00 C ATOM 78 O GLU A 6 4.223 -14.221 -4.580 1.00 0.00 O ATOM 79 CB GLU A 6 5.102 -17.080 -6.044 1.00 0.00 C ATOM 80 CG GLU A 6 6.369 -16.662 -5.288 1.00 0.00 C ATOM 81 CD GLU A 6 7.589 -17.366 -5.883 1.00 0.00 C ATOM 82 OE1 GLU A 6 7.470 -17.899 -6.973 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.627 -17.357 -5.238 1.00 0.00 O ATOM 0 H GLU A 6 2.836 -17.611 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 6 3.855 -16.698 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.010 -18.166 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.171 -16.768 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.498 -15.581 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.272 -16.914 -4.232 1.00 0.00 H new ATOM 90 N GLU A 7 3.599 -14.452 -6.719 1.00 0.00 N ATOM 91 CA GLU A 7 3.605 -13.024 -6.960 1.00 0.00 C ATOM 92 C GLU A 7 2.886 -12.293 -5.825 1.00 0.00 C ATOM 93 O GLU A 7 3.462 -11.431 -5.171 1.00 0.00 O ATOM 94 CB GLU A 7 2.925 -12.744 -8.307 1.00 0.00 C ATOM 95 CG GLU A 7 2.495 -11.280 -8.392 1.00 0.00 C ATOM 96 CD GLU A 7 2.057 -10.946 -9.810 1.00 0.00 C ATOM 97 OE1 GLU A 7 2.376 -11.714 -10.702 1.00 0.00 O ATOM 98 OE2 GLU A 7 1.402 -9.931 -9.982 1.00 0.00 O ATOM 0 H GLU A 7 3.341 -15.022 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 7 4.632 -12.659 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.610 -12.977 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.057 -13.392 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.677 -11.092 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.320 -10.633 -8.096 1.00 0.00 H new ATOM 105 N GLN A 8 1.609 -12.602 -5.648 1.00 0.00 N ATOM 106 CA GLN A 8 0.789 -11.935 -4.642 1.00 0.00 C ATOM 107 C GLN A 8 1.483 -11.843 -3.282 1.00 0.00 C ATOM 108 O GLN A 8 1.704 -10.748 -2.769 1.00 0.00 O ATOM 109 CB GLN A 8 -0.535 -12.705 -4.501 1.00 0.00 C ATOM 110 CG GLN A 8 -1.523 -12.285 -5.599 1.00 0.00 C ATOM 111 CD GLN A 8 -2.053 -10.878 -5.329 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.648 -9.925 -5.995 1.00 0.00 O ATOM 113 NE2 GLN A 8 -2.946 -10.692 -4.397 1.00 0.00 N ATOM 0 H GLN A 8 1.116 -13.312 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 8 0.612 -10.912 -4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.347 -13.777 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.970 -12.514 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.030 -12.315 -6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.352 -12.991 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.281 -11.483 -3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.310 -9.756 -4.219 1.00 0.00 H new ATOM 122 N ILE A 9 1.800 -12.976 -2.683 1.00 0.00 N ATOM 123 CA ILE A 9 2.427 -12.944 -1.374 1.00 0.00 C ATOM 124 C ILE A 9 3.688 -12.078 -1.402 1.00 0.00 C ATOM 125 O ILE A 9 3.876 -11.210 -0.546 1.00 0.00 O ATOM 126 CB ILE A 9 2.755 -14.363 -0.920 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.457 -15.120 -2.058 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.466 -15.101 -0.548 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.698 -16.569 -1.649 1.00 0.00 C ATOM 0 H ILE A 9 1.640 -13.907 -3.068 1.00 0.00 H new ATOM 0 HA ILE A 9 1.731 -12.502 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 9 3.411 -14.314 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.846 -15.085 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.405 -14.638 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.707 -16.114 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.964 -14.571 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.808 -15.144 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.196 -17.098 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.327 -16.596 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.744 -17.050 -1.434 1.00 0.00 H new ATOM 141 N ALA A 10 4.550 -12.314 -2.377 1.00 0.00 N ATOM 142 CA ALA A 10 5.778 -11.548 -2.483 1.00 0.00 C ATOM 143 C ALA A 10 5.463 -10.068 -2.660 1.00 0.00 C ATOM 144 O ALA A 10 6.142 -9.206 -2.110 1.00 0.00 O ATOM 145 CB ALA A 10 6.587 -12.045 -3.682 1.00 0.00 C ATOM 0 H ALA A 10 4.423 -13.023 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 10 6.357 -11.679 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.509 -11.470 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.827 -13.100 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.001 -11.920 -4.593 1.00 0.00 H new ATOM 151 N GLU A 11 4.426 -9.790 -3.437 1.00 0.00 N ATOM 152 CA GLU A 11 4.014 -8.418 -3.709 1.00 0.00 C ATOM 153 C GLU A 11 3.716 -7.667 -2.415 1.00 0.00 C ATOM 154 O GLU A 11 4.207 -6.557 -2.211 1.00 0.00 O ATOM 155 CB GLU A 11 2.760 -8.424 -4.587 1.00 0.00 C ATOM 156 CG GLU A 11 2.462 -7.006 -5.077 1.00 0.00 C ATOM 157 CD GLU A 11 1.240 -7.026 -5.991 1.00 0.00 C ATOM 158 OE1 GLU A 11 0.569 -8.042 -6.020 1.00 0.00 O ATOM 159 OE2 GLU A 11 0.996 -6.026 -6.645 1.00 0.00 O ATOM 0 H GLU A 11 3.851 -10.499 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 11 4.831 -7.913 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.904 -9.090 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.911 -8.809 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.282 -6.347 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.323 -6.607 -5.613 1.00 0.00 H new ATOM 166 N PHE A 12 2.912 -8.269 -1.542 1.00 0.00 N ATOM 167 CA PHE A 12 2.570 -7.623 -0.287 1.00 0.00 C ATOM 168 C PHE A 12 3.833 -7.392 0.544 1.00 0.00 C ATOM 169 O PHE A 12 4.023 -6.312 1.083 1.00 0.00 O ATOM 170 CB PHE A 12 1.533 -8.491 0.471 1.00 0.00 C ATOM 171 CG PHE A 12 1.961 -8.760 1.901 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.723 -7.805 2.897 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.601 -9.961 2.223 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.123 -8.054 4.214 1.00 0.00 C ATOM 175 CE2 PHE A 12 3.000 -10.210 3.539 1.00 0.00 C ATOM 176 CZ PHE A 12 2.761 -9.257 4.535 1.00 0.00 C ATOM 0 H PHE A 12 2.493 -9.189 -1.681 1.00 0.00 H new ATOM 0 HA PHE A 12 2.122 -6.648 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.567 -7.987 0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.399 -9.438 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.231 -6.876 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.787 -10.696 1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.939 -7.318 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.493 -11.138 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.069 -9.450 5.552 1.00 0.00 H new ATOM 186 N LYS A 13 4.677 -8.418 0.640 1.00 0.00 N ATOM 187 CA LYS A 13 5.898 -8.317 1.417 1.00 0.00 C ATOM 188 C LYS A 13 6.750 -7.157 0.930 1.00 0.00 C ATOM 189 O LYS A 13 7.291 -6.391 1.728 1.00 0.00 O ATOM 190 CB LYS A 13 6.686 -9.630 1.314 1.00 0.00 C ATOM 191 CG LYS A 13 7.996 -9.542 2.110 1.00 0.00 C ATOM 192 CD LYS A 13 7.695 -9.202 3.576 1.00 0.00 C ATOM 193 CE LYS A 13 8.859 -9.635 4.455 1.00 0.00 C ATOM 194 NZ LYS A 13 8.668 -9.075 5.823 1.00 0.00 N ATOM 0 H LYS A 13 4.534 -9.322 0.190 1.00 0.00 H new ATOM 0 HA LYS A 13 5.636 -8.135 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.080 -10.454 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.904 -9.848 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.532 -10.489 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.644 -8.780 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.526 -8.131 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.781 -9.703 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.914 -10.723 4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.801 -9.284 4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.460 -9.366 6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.635 -8.037 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.776 -9.431 6.222 1.00 0.00 H new ATOM 208 N GLU A 14 6.864 -7.031 -0.383 1.00 0.00 N ATOM 209 CA GLU A 14 7.652 -5.957 -0.958 1.00 0.00 C ATOM 210 C GLU A 14 7.021 -4.605 -0.667 1.00 0.00 C ATOM 211 O GLU A 14 7.658 -3.727 -0.087 1.00 0.00 O ATOM 212 CB GLU A 14 7.737 -6.143 -2.465 1.00 0.00 C ATOM 213 CG GLU A 14 8.600 -7.363 -2.789 1.00 0.00 C ATOM 214 CD GLU A 14 8.576 -7.638 -4.290 1.00 0.00 C ATOM 215 OE1 GLU A 14 7.952 -6.868 -5.001 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.172 -8.619 -4.703 1.00 0.00 O ATOM 0 H GLU A 14 6.425 -7.653 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 14 8.647 -5.987 -0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.738 -6.272 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.162 -5.252 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.625 -7.191 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.232 -8.233 -2.246 1.00 0.00 H new ATOM 223 N ALA A 15 5.764 -4.436 -1.072 1.00 0.00 N ATOM 224 CA ALA A 15 5.073 -3.174 -0.858 1.00 0.00 C ATOM 225 C ALA A 15 5.044 -2.830 0.625 1.00 0.00 C ATOM 226 O ALA A 15 5.218 -1.672 1.010 1.00 0.00 O ATOM 227 CB ALA A 15 3.643 -3.270 -1.429 1.00 0.00 C ATOM 0 H ALA A 15 5.211 -5.151 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 15 5.606 -2.377 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.123 -2.325 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.691 -3.482 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.103 -4.071 -0.924 1.00 0.00 H new ATOM 233 N PHE A 16 4.832 -3.841 1.454 1.00 0.00 N ATOM 234 CA PHE A 16 4.783 -3.628 2.890 1.00 0.00 C ATOM 235 C PHE A 16 6.071 -2.972 3.389 1.00 0.00 C ATOM 236 O PHE A 16 6.036 -1.947 4.068 1.00 0.00 O ATOM 237 CB PHE A 16 4.569 -4.993 3.586 1.00 0.00 C ATOM 238 CG PHE A 16 5.216 -5.008 4.949 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.569 -4.456 6.057 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.493 -5.557 5.081 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.206 -4.459 7.300 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.126 -5.565 6.319 1.00 0.00 C ATOM 243 CZ PHE A 16 6.486 -5.015 7.427 1.00 0.00 C ATOM 0 H PHE A 16 4.693 -4.808 1.160 1.00 0.00 H new ATOM 0 HA PHE A 16 3.958 -2.957 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.502 -5.193 3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.988 -5.789 2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.582 -4.029 5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.990 -5.977 4.219 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.713 -4.034 8.162 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.111 -5.996 6.421 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.978 -5.017 8.388 1.00 0.00 H new ATOM 253 N SER A 17 7.196 -3.579 3.063 1.00 0.00 N ATOM 254 CA SER A 17 8.479 -3.062 3.502 1.00 0.00 C ATOM 255 C SER A 17 8.796 -1.724 2.841 1.00 0.00 C ATOM 256 O SER A 17 9.604 -0.952 3.355 1.00 0.00 O ATOM 257 CB SER A 17 9.582 -4.078 3.181 1.00 0.00 C ATOM 258 OG SER A 17 10.718 -3.810 3.996 1.00 0.00 O ATOM 0 H SER A 17 7.249 -4.427 2.498 1.00 0.00 H new ATOM 0 HA SER A 17 8.430 -2.900 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.222 -5.091 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.853 -4.017 2.127 1.00 0.00 H new ATOM 0 HG SER A 17 11.425 -4.458 3.795 1.00 0.00 H new ATOM 264 N LEU A 18 8.166 -1.450 1.704 1.00 0.00 N ATOM 265 CA LEU A 18 8.411 -0.192 1.002 1.00 0.00 C ATOM 266 C LEU A 18 7.744 0.988 1.710 1.00 0.00 C ATOM 267 O LEU A 18 8.338 2.060 1.840 1.00 0.00 O ATOM 268 CB LEU A 18 7.889 -0.286 -0.438 1.00 0.00 C ATOM 269 CG LEU A 18 8.863 -1.107 -1.310 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.219 -1.386 -2.680 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.201 -0.352 -1.494 1.00 0.00 C ATOM 0 H LEU A 18 7.492 -2.069 1.253 1.00 0.00 H new ATOM 0 HA LEU A 18 9.487 -0.020 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.904 -0.752 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.772 0.714 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 18 9.071 -2.053 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.908 -1.966 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.296 -1.949 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.997 -0.442 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.873 -0.948 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.015 0.606 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.659 -0.181 -0.520 1.00 0.00 H new ATOM 283 N PHE A 19 6.500 0.800 2.138 1.00 0.00 N ATOM 284 CA PHE A 19 5.768 1.879 2.792 1.00 0.00 C ATOM 285 C PHE A 19 6.304 2.155 4.185 1.00 0.00 C ATOM 286 O PHE A 19 6.723 3.270 4.479 1.00 0.00 O ATOM 287 CB PHE A 19 4.283 1.534 2.870 1.00 0.00 C ATOM 288 CG PHE A 19 3.753 1.216 1.484 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.853 2.158 0.445 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.159 -0.029 1.236 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.362 1.849 -0.830 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.668 -0.334 -0.034 1.00 0.00 C ATOM 293 CZ PHE A 19 2.770 0.603 -1.069 1.00 0.00 C ATOM 0 H PHE A 19 5.984 -0.075 2.046 1.00 0.00 H new ATOM 0 HA PHE A 19 5.903 2.780 2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.133 0.680 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.729 2.369 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.308 3.120 0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.081 -0.755 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.440 2.572 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.209 -1.294 -0.219 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.392 0.365 -2.052 1.00 0.00 H new ATOM 303 N ASP A 20 6.285 1.144 5.040 1.00 0.00 N ATOM 304 CA ASP A 20 6.773 1.319 6.399 1.00 0.00 C ATOM 305 C ASP A 20 8.185 1.911 6.388 1.00 0.00 C ATOM 306 O ASP A 20 9.174 1.180 6.442 1.00 0.00 O ATOM 307 CB ASP A 20 6.775 -0.034 7.113 1.00 0.00 C ATOM 308 CG ASP A 20 6.886 0.166 8.622 1.00 0.00 C ATOM 309 OD1 ASP A 20 6.607 1.263 9.078 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.243 -0.783 9.301 1.00 0.00 O ATOM 0 H ASP A 20 5.943 0.208 4.822 1.00 0.00 H new ATOM 0 HA ASP A 20 6.117 2.009 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.861 -0.579 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.608 -0.640 6.757 1.00 0.00 H new ATOM 315 N LYS A 21 8.269 3.245 6.301 1.00 0.00 N ATOM 316 CA LYS A 21 9.568 3.915 6.266 1.00 0.00 C ATOM 317 C LYS A 21 10.357 3.615 7.537 1.00 0.00 C ATOM 318 O LYS A 21 11.505 3.174 7.472 1.00 0.00 O ATOM 319 CB LYS A 21 9.394 5.438 6.141 1.00 0.00 C ATOM 320 CG LYS A 21 8.707 5.813 4.815 1.00 0.00 C ATOM 321 CD LYS A 21 9.552 5.323 3.624 1.00 0.00 C ATOM 322 CE LYS A 21 9.300 6.194 2.389 1.00 0.00 C ATOM 323 NZ LYS A 21 10.154 7.412 2.462 1.00 0.00 N ATOM 0 H LYS A 21 7.464 3.870 6.254 1.00 0.00 H new ATOM 0 HA LYS A 21 10.110 3.540 5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.802 5.809 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.368 5.924 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.713 5.368 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.575 6.893 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.610 5.351 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.307 4.285 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.524 5.633 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.248 6.476 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.889 8.068 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.017 7.877 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.153 7.143 2.355 1.00 0.00 H new ATOM 337 N ASP A 22 9.748 3.867 8.691 1.00 0.00 N ATOM 338 CA ASP A 22 10.420 3.621 9.959 1.00 0.00 C ATOM 339 C ASP A 22 10.679 2.127 10.128 1.00 0.00 C ATOM 340 O ASP A 22 11.487 1.711 10.959 1.00 0.00 O ATOM 341 CB ASP A 22 9.557 4.140 11.114 1.00 0.00 C ATOM 342 CG ASP A 22 8.231 3.385 11.160 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.118 2.388 10.471 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.348 3.818 11.883 1.00 0.00 O ATOM 0 H ASP A 22 8.801 4.237 8.773 1.00 0.00 H new ATOM 0 HA ASP A 22 11.374 4.147 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.087 4.017 12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.372 5.207 10.989 1.00 0.00 H new ATOM 349 N GLY A 23 9.988 1.331 9.318 1.00 0.00 N ATOM 350 CA GLY A 23 10.148 -0.120 9.363 1.00 0.00 C ATOM 351 C GLY A 23 9.853 -0.671 10.756 1.00 0.00 C ATOM 352 O GLY A 23 10.579 -1.533 11.252 1.00 0.00 O ATOM 0 H GLY A 23 9.316 1.663 8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.479 -0.584 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.165 -0.384 9.074 1.00 0.00 H new ATOM 356 N ASP A 24 8.795 -0.170 11.393 1.00 0.00 N ATOM 357 CA ASP A 24 8.440 -0.634 12.736 1.00 0.00 C ATOM 358 C ASP A 24 7.632 -1.931 12.675 1.00 0.00 C ATOM 359 O ASP A 24 7.473 -2.621 13.682 1.00 0.00 O ATOM 360 CB ASP A 24 7.642 0.449 13.474 1.00 0.00 C ATOM 361 CG ASP A 24 6.208 0.510 12.956 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.004 0.211 11.790 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.333 0.850 13.737 1.00 0.00 O ATOM 0 H ASP A 24 8.177 0.545 11.010 1.00 0.00 H new ATOM 0 HA ASP A 24 9.363 -0.834 13.281 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.639 0.240 14.544 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.124 1.418 13.340 1.00 0.00 H new ATOM 368 N GLY A 25 7.129 -2.256 11.486 1.00 0.00 N ATOM 369 CA GLY A 25 6.337 -3.474 11.290 1.00 0.00 C ATOM 370 C GLY A 25 4.911 -3.144 10.857 1.00 0.00 C ATOM 371 O GLY A 25 4.177 -4.018 10.422 1.00 0.00 O ATOM 0 H GLY A 25 7.254 -1.695 10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.812 -4.102 10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.315 -4.049 12.216 1.00 0.00 H new ATOM 375 N THR A 26 4.530 -1.875 10.973 1.00 0.00 N ATOM 376 CA THR A 26 3.187 -1.439 10.589 1.00 0.00 C ATOM 377 C THR A 26 3.271 -0.269 9.625 1.00 0.00 C ATOM 378 O THR A 26 4.285 0.427 9.567 1.00 0.00 O ATOM 379 CB THR A 26 2.402 -1.009 11.831 1.00 0.00 C ATOM 380 OG1 THR A 26 3.194 -0.106 12.595 1.00 0.00 O ATOM 381 CG2 THR A 26 2.045 -2.236 12.675 1.00 0.00 C ATOM 0 H THR A 26 5.129 -1.130 11.329 1.00 0.00 H new ATOM 0 HA THR A 26 2.678 -2.272 10.104 1.00 0.00 H new ATOM 0 HB THR A 26 1.480 -0.515 11.526 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.695 0.173 13.391 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.487 -1.921 13.557 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.435 -2.919 12.084 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.959 -2.742 12.986 1.00 0.00 H new ATOM 389 N ILE A 27 2.193 -0.046 8.871 1.00 0.00 N ATOM 390 CA ILE A 27 2.154 1.060 7.915 1.00 0.00 C ATOM 391 C ILE A 27 1.339 2.207 8.500 1.00 0.00 C ATOM 392 O ILE A 27 0.301 1.984 9.119 1.00 0.00 O ATOM 393 CB ILE A 27 1.550 0.607 6.590 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.472 -0.436 5.954 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.409 1.817 5.659 1.00 0.00 C ATOM 396 CD1 ILE A 27 1.772 -1.104 4.770 1.00 0.00 C ATOM 0 H ILE A 27 1.344 -0.610 8.903 1.00 0.00 H new ATOM 0 HA ILE A 27 3.172 1.399 7.725 1.00 0.00 H new ATOM 0 HB ILE A 27 0.566 0.168 6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.395 0.038 5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.749 -1.187 6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.978 1.498 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.758 2.559 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.391 2.256 5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.437 -1.844 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.862 -1.594 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.518 -0.350 4.025 1.00 0.00 H new ATOM 408 N THR A 28 1.819 3.440 8.310 1.00 0.00 N ATOM 409 CA THR A 28 1.133 4.622 8.844 1.00 0.00 C ATOM 410 C THR A 28 0.798 5.621 7.736 1.00 0.00 C ATOM 411 O THR A 28 1.199 5.453 6.583 1.00 0.00 O ATOM 412 CB THR A 28 2.026 5.290 9.901 1.00 0.00 C ATOM 413 OG1 THR A 28 2.375 4.329 10.888 1.00 0.00 O ATOM 414 CG2 THR A 28 1.290 6.458 10.571 1.00 0.00 C ATOM 0 H THR A 28 2.674 3.646 7.794 1.00 0.00 H new ATOM 0 HA THR A 28 0.195 4.302 9.297 1.00 0.00 H new ATOM 0 HB THR A 28 2.922 5.675 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.946 4.748 11.565 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.939 6.918 11.316 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.021 7.199 9.818 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.386 6.089 11.056 1.00 0.00 H new ATOM 422 N THR A 29 0.058 6.660 8.108 1.00 0.00 N ATOM 423 CA THR A 29 -0.340 7.698 7.164 1.00 0.00 C ATOM 424 C THR A 29 0.880 8.478 6.684 1.00 0.00 C ATOM 425 O THR A 29 0.978 8.848 5.514 1.00 0.00 O ATOM 426 CB THR A 29 -1.317 8.670 7.840 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.669 9.298 8.938 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.542 7.906 8.343 1.00 0.00 C ATOM 0 H THR A 29 -0.279 6.806 9.060 1.00 0.00 H new ATOM 0 HA THR A 29 -0.821 7.220 6.311 1.00 0.00 H new ATOM 0 HB THR A 29 -1.634 9.423 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.289 9.921 9.371 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.232 8.600 8.822 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.039 7.422 7.503 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.229 7.150 9.064 1.00 0.00 H new ATOM 436 N LYS A 30 1.799 8.726 7.609 1.00 0.00 N ATOM 437 CA LYS A 30 3.018 9.470 7.296 1.00 0.00 C ATOM 438 C LYS A 30 3.970 8.626 6.452 1.00 0.00 C ATOM 439 O LYS A 30 4.561 9.117 5.489 1.00 0.00 O ATOM 440 CB LYS A 30 3.704 9.921 8.587 1.00 0.00 C ATOM 441 CG LYS A 30 2.825 10.964 9.290 1.00 0.00 C ATOM 442 CD LYS A 30 3.489 11.392 10.600 1.00 0.00 C ATOM 443 CE LYS A 30 2.615 12.432 11.306 1.00 0.00 C ATOM 444 NZ LYS A 30 3.270 12.849 12.579 1.00 0.00 N ATOM 0 H LYS A 30 1.726 8.425 8.581 1.00 0.00 H new ATOM 0 HA LYS A 30 2.744 10.351 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.869 9.066 9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.683 10.345 8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.681 11.829 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.838 10.548 9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.633 10.526 11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.476 11.808 10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.467 13.297 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.629 12.015 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.677 13.556 13.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.389 12.020 13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.201 13.263 12.371 1.00 0.00 H new ATOM 458 N GLU A 31 4.109 7.356 6.814 1.00 0.00 N ATOM 459 CA GLU A 31 4.984 6.452 6.077 1.00 0.00 C ATOM 460 C GLU A 31 4.533 6.367 4.621 1.00 0.00 C ATOM 461 O GLU A 31 5.289 6.694 3.699 1.00 0.00 O ATOM 462 CB GLU A 31 4.934 5.066 6.736 1.00 0.00 C ATOM 463 CG GLU A 31 5.693 5.106 8.064 1.00 0.00 C ATOM 464 CD GLU A 31 5.399 3.851 8.872 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.641 3.032 8.394 1.00 0.00 O ATOM 466 OE2 GLU A 31 5.934 3.728 9.961 1.00 0.00 O ATOM 0 H GLU A 31 3.630 6.931 7.608 1.00 0.00 H new ATOM 0 HA GLU A 31 6.008 6.825 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.899 4.769 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.376 4.321 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.764 5.185 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.402 5.990 8.632 1.00 0.00 H new ATOM 473 N LEU A 32 3.291 5.959 4.423 1.00 0.00 N ATOM 474 CA LEU A 32 2.738 5.868 3.076 1.00 0.00 C ATOM 475 C LEU A 32 2.696 7.238 2.430 1.00 0.00 C ATOM 476 O LEU A 32 3.048 7.393 1.262 1.00 0.00 O ATOM 477 CB LEU A 32 1.333 5.255 3.154 1.00 0.00 C ATOM 478 CG LEU A 32 0.519 5.448 1.860 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.140 4.618 0.751 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.918 4.966 2.096 1.00 0.00 C ATOM 0 H LEU A 32 2.649 5.687 5.168 1.00 0.00 H new ATOM 0 HA LEU A 32 3.372 5.230 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.419 4.189 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.792 5.704 3.987 1.00 0.00 H new ATOM 0 HG LEU A 32 0.518 6.501 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.568 4.751 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.168 4.940 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.131 3.566 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.501 5.099 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.908 3.911 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.368 5.545 2.902 1.00 0.00 H new ATOM 492 N GLY A 33 2.262 8.223 3.193 1.00 0.00 N ATOM 493 CA GLY A 33 2.174 9.571 2.670 1.00 0.00 C ATOM 494 C GLY A 33 3.499 9.978 2.067 1.00 0.00 C ATOM 495 O GLY A 33 3.542 10.640 1.033 1.00 0.00 O ATOM 0 H GLY A 33 1.969 8.117 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.389 9.627 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.900 10.262 3.467 1.00 0.00 H new ATOM 499 N THR A 34 4.578 9.579 2.713 1.00 0.00 N ATOM 500 CA THR A 34 5.898 9.915 2.218 1.00 0.00 C ATOM 501 C THR A 34 6.089 9.320 0.833 1.00 0.00 C ATOM 502 O THR A 34 6.501 10.013 -0.097 1.00 0.00 O ATOM 503 CB THR A 34 6.964 9.377 3.169 1.00 0.00 C ATOM 504 OG1 THR A 34 6.643 9.760 4.499 1.00 0.00 O ATOM 505 CG2 THR A 34 8.334 9.944 2.789 1.00 0.00 C ATOM 0 H THR A 34 4.568 9.028 3.572 1.00 0.00 H new ATOM 0 HA THR A 34 5.994 10.999 2.159 1.00 0.00 H new ATOM 0 HB THR A 34 6.996 8.290 3.098 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.087 9.068 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.090 9.556 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.580 9.648 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.309 11.032 2.855 1.00 0.00 H new ATOM 513 N VAL A 35 5.801 8.026 0.687 1.00 0.00 N ATOM 514 CA VAL A 35 5.947 7.354 -0.601 1.00 0.00 C ATOM 515 C VAL A 35 5.014 7.963 -1.646 1.00 0.00 C ATOM 516 O VAL A 35 5.399 8.179 -2.788 1.00 0.00 O ATOM 517 CB VAL A 35 5.611 5.862 -0.443 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.754 5.158 -1.796 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.565 5.220 0.567 1.00 0.00 C ATOM 0 H VAL A 35 5.467 7.426 1.442 1.00 0.00 H new ATOM 0 HA VAL A 35 6.977 7.478 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 35 4.586 5.762 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.516 4.100 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.070 5.609 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.778 5.263 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.323 4.163 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.591 5.323 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.462 5.717 1.532 1.00 0.00 H new ATOM 529 N MET A 36 3.790 8.261 -1.231 1.00 0.00 N ATOM 530 CA MET A 36 2.826 8.861 -2.150 1.00 0.00 C ATOM 531 C MET A 36 3.234 10.285 -2.546 1.00 0.00 C ATOM 532 O MET A 36 3.180 10.650 -3.722 1.00 0.00 O ATOM 533 CB MET A 36 1.431 8.863 -1.525 1.00 0.00 C ATOM 534 CG MET A 36 0.977 7.413 -1.354 1.00 0.00 C ATOM 535 SD MET A 36 -0.701 7.356 -0.675 1.00 0.00 S ATOM 536 CE MET A 36 -1.592 7.182 -2.242 1.00 0.00 C ATOM 0 H MET A 36 3.444 8.102 -0.285 1.00 0.00 H new ATOM 0 HA MET A 36 2.810 8.257 -3.057 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.448 9.371 -0.561 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.732 9.407 -2.160 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.005 6.900 -2.315 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.663 6.886 -0.691 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.664 7.146 -2.049 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.368 8.033 -2.885 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.281 6.262 -2.737 1.00 0.00 H new ATOM 546 N ARG A 37 3.635 11.078 -1.559 1.00 0.00 N ATOM 547 CA ARG A 37 4.042 12.458 -1.818 1.00 0.00 C ATOM 548 C ARG A 37 5.317 12.504 -2.653 1.00 0.00 C ATOM 549 O ARG A 37 5.386 13.210 -3.659 1.00 0.00 O ATOM 550 CB ARG A 37 4.245 13.210 -0.508 1.00 0.00 C ATOM 551 CG ARG A 37 4.572 14.666 -0.832 1.00 0.00 C ATOM 552 CD ARG A 37 4.526 15.481 0.448 1.00 0.00 C ATOM 553 NE ARG A 37 4.966 16.851 0.188 1.00 0.00 N ATOM 554 CZ ARG A 37 4.832 17.820 1.099 1.00 0.00 C ATOM 555 NH1 ARG A 37 4.299 17.564 2.264 1.00 0.00 N ATOM 556 NH2 ARG A 37 5.241 19.030 0.822 1.00 0.00 N ATOM 0 H ARG A 37 3.688 10.795 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 37 3.245 12.943 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.346 13.151 0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.054 12.759 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.559 14.737 -1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.858 15.060 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.512 15.486 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.165 15.023 1.203 1.00 0.00 H new ATOM 0 HE ARG A 37 5.387 17.074 -0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.982 16.620 2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.200 18.308 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.660 19.231 -0.086 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.141 19.773 1.514 1.00 0.00 H new ATOM 570 N SER A 38 6.329 11.764 -2.218 1.00 0.00 N ATOM 571 CA SER A 38 7.608 11.739 -2.921 1.00 0.00 C ATOM 572 C SER A 38 7.412 11.325 -4.376 1.00 0.00 C ATOM 573 O SER A 38 8.242 11.630 -5.231 1.00 0.00 O ATOM 574 CB SER A 38 8.557 10.754 -2.238 1.00 0.00 C ATOM 575 OG SER A 38 9.589 10.391 -3.146 1.00 0.00 O ATOM 0 H SER A 38 6.291 11.175 -1.386 1.00 0.00 H new ATOM 0 HA SER A 38 8.036 12.741 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.986 11.205 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.010 9.867 -1.917 1.00 0.00 H new ATOM 0 HG SER A 38 10.200 9.761 -2.711 1.00 0.00 H new ATOM 581 N LEU A 39 6.307 10.636 -4.655 1.00 0.00 N ATOM 582 CA LEU A 39 6.015 10.194 -6.020 1.00 0.00 C ATOM 583 C LEU A 39 5.265 11.271 -6.797 1.00 0.00 C ATOM 584 O LEU A 39 5.230 11.247 -8.027 1.00 0.00 O ATOM 585 CB LEU A 39 5.189 8.909 -5.973 1.00 0.00 C ATOM 586 CG LEU A 39 6.074 7.739 -5.500 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.184 6.562 -5.083 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.022 7.276 -6.630 1.00 0.00 C ATOM 0 H LEU A 39 5.605 10.373 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 39 6.958 10.005 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.343 9.034 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.780 8.692 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 39 6.672 8.079 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.809 5.734 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.527 6.872 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.582 6.242 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.637 6.450 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.434 6.947 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.665 8.104 -6.928 1.00 0.00 H new ATOM 600 N GLY A 40 4.680 12.231 -6.079 1.00 0.00 N ATOM 601 CA GLY A 40 3.951 13.326 -6.722 1.00 0.00 C ATOM 602 C GLY A 40 2.444 13.125 -6.636 1.00 0.00 C ATOM 603 O GLY A 40 1.676 13.896 -7.210 1.00 0.00 O ATOM 0 H GLY A 40 4.696 12.273 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.220 14.270 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.250 13.398 -7.768 1.00 0.00 H new ATOM 607 N GLN A 41 2.024 12.088 -5.922 1.00 0.00 N ATOM 608 CA GLN A 41 0.600 11.807 -5.774 1.00 0.00 C ATOM 609 C GLN A 41 -0.041 12.785 -4.789 1.00 0.00 C ATOM 610 O GLN A 41 0.648 13.370 -3.957 1.00 0.00 O ATOM 611 CB GLN A 41 0.401 10.368 -5.300 1.00 0.00 C ATOM 612 CG GLN A 41 0.797 9.410 -6.424 1.00 0.00 C ATOM 613 CD GLN A 41 0.707 7.969 -5.941 1.00 0.00 C ATOM 614 OE1 GLN A 41 0.305 7.717 -4.807 1.00 0.00 O ATOM 615 NE2 GLN A 41 1.058 7.003 -6.743 1.00 0.00 N ATOM 0 H GLN A 41 2.641 11.433 -5.441 1.00 0.00 H new ATOM 0 HA GLN A 41 0.116 11.931 -6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.006 10.177 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.639 10.206 -5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.142 9.555 -7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.812 9.627 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.391 7.216 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.000 6.034 -6.430 1.00 0.00 H new ATOM 624 N ASN A 42 -1.363 12.956 -4.902 1.00 0.00 N ATOM 625 CA ASN A 42 -2.108 13.881 -4.039 1.00 0.00 C ATOM 626 C ASN A 42 -1.516 13.928 -2.621 1.00 0.00 C ATOM 627 O ASN A 42 -1.833 13.081 -1.788 1.00 0.00 O ATOM 628 CB ASN A 42 -3.569 13.432 -3.952 1.00 0.00 C ATOM 629 CG ASN A 42 -4.038 12.950 -5.319 1.00 0.00 C ATOM 630 OD1 ASN A 42 -3.630 11.882 -5.774 1.00 0.00 O ATOM 631 ND2 ASN A 42 -4.873 13.678 -6.007 1.00 0.00 N ATOM 0 H ASN A 42 -1.941 12.465 -5.584 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.039 14.877 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.671 12.632 -3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.194 14.258 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.189 13.362 -6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.210 14.563 -5.628 1.00 0.00 H new ATOM 638 N PRO A 43 -0.669 14.897 -2.332 1.00 0.00 N ATOM 639 CA PRO A 43 -0.038 15.034 -0.983 1.00 0.00 C ATOM 640 C PRO A 43 -1.084 15.120 0.129 1.00 0.00 C ATOM 641 O PRO A 43 -0.745 15.093 1.311 1.00 0.00 O ATOM 642 CB PRO A 43 0.780 16.339 -1.081 1.00 0.00 C ATOM 643 CG PRO A 43 0.992 16.562 -2.543 1.00 0.00 C ATOM 644 CD PRO A 43 -0.227 15.965 -3.243 1.00 0.00 C ATOM 0 HA PRO A 43 0.576 14.170 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.244 17.174 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.730 16.248 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.088 17.625 -2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.910 16.082 -2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.007 16.711 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.030 15.571 -4.226 1.00 0.00 H new ATOM 652 N THR A 44 -2.348 15.244 -0.267 1.00 0.00 N ATOM 653 CA THR A 44 -3.442 15.353 0.695 1.00 0.00 C ATOM 654 C THR A 44 -3.342 14.275 1.773 1.00 0.00 C ATOM 655 O THR A 44 -3.998 13.238 1.696 1.00 0.00 O ATOM 656 CB THR A 44 -4.789 15.233 -0.023 1.00 0.00 C ATOM 657 OG1 THR A 44 -4.774 14.087 -0.862 1.00 0.00 O ATOM 658 CG2 THR A 44 -5.036 16.484 -0.867 1.00 0.00 C ATOM 0 H THR A 44 -2.640 15.272 -1.244 1.00 0.00 H new ATOM 0 HA THR A 44 -3.368 16.329 1.175 1.00 0.00 H new ATOM 0 HB THR A 44 -5.586 15.135 0.714 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.453 13.313 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.995 16.395 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.048 17.362 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.241 16.587 -1.606 1.00 0.00 H new ATOM 666 N GLU A 45 -2.527 14.547 2.785 1.00 0.00 N ATOM 667 CA GLU A 45 -2.336 13.624 3.901 1.00 0.00 C ATOM 668 C GLU A 45 -3.673 13.318 4.571 1.00 0.00 C ATOM 669 O GLU A 45 -3.774 12.428 5.419 1.00 0.00 O ATOM 670 CB GLU A 45 -1.360 14.236 4.918 1.00 0.00 C ATOM 671 CG GLU A 45 -1.984 15.483 5.552 1.00 0.00 C ATOM 672 CD GLU A 45 -0.965 16.175 6.455 1.00 0.00 C ATOM 673 OE1 GLU A 45 -0.163 15.479 7.053 1.00 0.00 O ATOM 674 OE2 GLU A 45 -1.000 17.393 6.526 1.00 0.00 O ATOM 0 H GLU A 45 -1.983 15.407 2.857 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.918 12.691 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.120 13.505 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.424 14.497 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.317 16.169 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.865 15.205 6.130 1.00 0.00 H new ATOM 681 N ALA A 46 -4.704 14.038 4.148 1.00 0.00 N ATOM 682 CA ALA A 46 -6.046 13.833 4.683 1.00 0.00 C ATOM 683 C ALA A 46 -6.713 12.645 3.997 1.00 0.00 C ATOM 684 O ALA A 46 -7.415 11.859 4.633 1.00 0.00 O ATOM 685 CB ALA A 46 -6.884 15.093 4.470 1.00 0.00 C ATOM 0 H ALA A 46 -4.638 14.767 3.438 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.972 13.625 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.885 14.936 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.415 15.933 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.950 15.310 3.404 1.00 0.00 H new ATOM 691 N GLU A 47 -6.487 12.523 2.694 1.00 0.00 N ATOM 692 CA GLU A 47 -7.067 11.430 1.923 1.00 0.00 C ATOM 693 C GLU A 47 -6.619 10.096 2.505 1.00 0.00 C ATOM 694 O GLU A 47 -7.423 9.178 2.677 1.00 0.00 O ATOM 695 CB GLU A 47 -6.618 11.541 0.459 1.00 0.00 C ATOM 696 CG GLU A 47 -7.255 10.431 -0.381 1.00 0.00 C ATOM 697 CD GLU A 47 -6.834 10.589 -1.841 1.00 0.00 C ATOM 698 OE1 GLU A 47 -6.347 11.654 -2.182 1.00 0.00 O ATOM 699 OE2 GLU A 47 -7.009 9.646 -2.595 1.00 0.00 O ATOM 0 H GLU A 47 -5.909 13.164 2.151 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.154 11.490 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.899 12.515 0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.532 11.473 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.947 9.455 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.341 10.476 -0.298 1.00 0.00 H new ATOM 706 N LEU A 48 -5.331 10.002 2.818 1.00 0.00 N ATOM 707 CA LEU A 48 -4.782 8.781 3.396 1.00 0.00 C ATOM 708 C LEU A 48 -5.374 8.556 4.783 1.00 0.00 C ATOM 709 O LEU A 48 -5.915 7.488 5.074 1.00 0.00 O ATOM 710 CB LEU A 48 -3.259 8.912 3.504 1.00 0.00 C ATOM 711 CG LEU A 48 -2.608 8.687 2.130 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.317 9.537 1.067 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.126 9.088 2.192 1.00 0.00 C ATOM 0 H LEU A 48 -4.652 10.751 2.682 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.032 7.934 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.998 9.901 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.874 8.186 4.220 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.695 7.633 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.849 9.371 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.368 9.253 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.238 10.591 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.665 8.928 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.045 10.140 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.616 8.480 2.939 1.00 0.00 H new ATOM 725 N GLN A 49 -5.255 9.568 5.640 1.00 0.00 N ATOM 726 CA GLN A 49 -5.774 9.458 7.001 1.00 0.00 C ATOM 727 C GLN A 49 -7.192 8.901 6.989 1.00 0.00 C ATOM 728 O GLN A 49 -7.565 8.108 7.853 1.00 0.00 O ATOM 729 CB GLN A 49 -5.769 10.830 7.677 1.00 0.00 C ATOM 730 CG GLN A 49 -4.339 11.218 8.053 1.00 0.00 C ATOM 731 CD GLN A 49 -4.278 12.702 8.398 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.299 13.387 8.372 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.136 13.242 8.720 1.00 0.00 N ATOM 0 H GLN A 49 -4.811 10.460 5.421 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.132 8.777 7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.194 11.577 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.396 10.808 8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.003 10.624 8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.664 11.000 7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.290 12.672 8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.088 14.234 8.951 1.00 0.00 H new ATOM 742 N ASP A 50 -7.971 9.310 6.000 1.00 0.00 N ATOM 743 CA ASP A 50 -9.344 8.842 5.879 1.00 0.00 C ATOM 744 C ASP A 50 -9.398 7.402 5.368 1.00 0.00 C ATOM 745 O ASP A 50 -10.179 6.590 5.862 1.00 0.00 O ATOM 746 CB ASP A 50 -10.111 9.754 4.925 1.00 0.00 C ATOM 747 CG ASP A 50 -11.611 9.507 5.048 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.092 9.433 6.166 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.257 9.397 4.018 1.00 0.00 O ATOM 0 H ASP A 50 -7.678 9.962 5.272 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.802 8.868 6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.888 10.797 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.789 9.573 3.900 1.00 0.00 H new ATOM 754 N MET A 51 -8.578 7.095 4.364 1.00 0.00 N ATOM 755 CA MET A 51 -8.564 5.752 3.789 1.00 0.00 C ATOM 756 C MET A 51 -8.094 4.725 4.815 1.00 0.00 C ATOM 757 O MET A 51 -8.703 3.665 4.969 1.00 0.00 O ATOM 758 CB MET A 51 -7.628 5.724 2.577 1.00 0.00 C ATOM 759 CG MET A 51 -8.296 6.421 1.388 1.00 0.00 C ATOM 760 SD MET A 51 -9.700 5.436 0.807 1.00 0.00 S ATOM 761 CE MET A 51 -10.494 6.736 -0.171 1.00 0.00 C ATOM 0 H MET A 51 -7.922 7.749 3.937 1.00 0.00 H new ATOM 0 HA MET A 51 -9.579 5.498 3.483 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.689 6.220 2.820 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.386 4.694 2.317 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.634 7.415 1.681 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.575 6.554 0.581 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.401 6.343 -0.631 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.750 7.574 0.477 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.810 7.075 -0.949 1.00 0.00 H new ATOM 771 N ILE A 52 -7.019 5.051 5.522 1.00 0.00 N ATOM 772 CA ILE A 52 -6.485 4.148 6.538 1.00 0.00 C ATOM 773 C ILE A 52 -7.488 4.023 7.677 1.00 0.00 C ATOM 774 O ILE A 52 -7.710 2.935 8.205 1.00 0.00 O ATOM 775 CB ILE A 52 -5.119 4.655 7.057 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.092 4.573 5.906 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.635 3.792 8.248 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.654 4.689 6.437 1.00 0.00 C ATOM 0 H ILE A 52 -6.503 5.924 5.414 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.324 3.164 6.097 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.222 5.685 7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.212 3.629 5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.283 5.370 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.673 4.164 8.599 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.363 3.848 9.057 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.528 2.756 7.927 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.953 4.628 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.530 5.645 6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.458 3.877 7.137 1.00 0.00 H new ATOM 790 N ASN A 53 -8.078 5.144 8.063 1.00 0.00 N ATOM 791 CA ASN A 53 -9.037 5.148 9.155 1.00 0.00 C ATOM 792 C ASN A 53 -10.176 4.169 8.875 1.00 0.00 C ATOM 793 O ASN A 53 -10.650 3.483 9.780 1.00 0.00 O ATOM 794 CB ASN A 53 -9.604 6.566 9.340 1.00 0.00 C ATOM 795 CG ASN A 53 -8.630 7.441 10.133 1.00 0.00 C ATOM 796 OD1 ASN A 53 -7.795 6.927 10.877 1.00 0.00 O ATOM 797 ND2 ASN A 53 -8.691 8.741 10.013 1.00 0.00 N ATOM 0 H ASN A 53 -7.911 6.057 7.639 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.528 4.836 10.067 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.794 7.016 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.561 6.515 9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.046 9.332 10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.384 9.164 9.396 1.00 0.00 H new ATOM 804 N GLU A 54 -10.617 4.108 7.624 1.00 0.00 N ATOM 805 CA GLU A 54 -11.705 3.208 7.260 1.00 0.00 C ATOM 806 C GLU A 54 -11.197 1.774 7.115 1.00 0.00 C ATOM 807 O GLU A 54 -11.828 0.832 7.595 1.00 0.00 O ATOM 808 CB GLU A 54 -12.344 3.676 5.945 1.00 0.00 C ATOM 809 CG GLU A 54 -13.606 2.860 5.644 1.00 0.00 C ATOM 810 CD GLU A 54 -14.710 3.213 6.636 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.517 4.143 7.402 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.734 2.549 6.613 1.00 0.00 O ATOM 0 H GLU A 54 -10.244 4.663 6.854 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.453 3.226 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.595 4.735 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.630 3.569 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.943 3.060 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.382 1.795 5.702 1.00 0.00 H new ATOM 819 N VAL A 55 -10.062 1.613 6.438 1.00 0.00 N ATOM 820 CA VAL A 55 -9.491 0.286 6.223 1.00 0.00 C ATOM 821 C VAL A 55 -9.016 -0.347 7.533 1.00 0.00 C ATOM 822 O VAL A 55 -9.244 -1.531 7.776 1.00 0.00 O ATOM 823 CB VAL A 55 -8.327 0.363 5.226 1.00 0.00 C ATOM 824 CG1 VAL A 55 -7.638 -0.998 5.134 1.00 0.00 C ATOM 825 CG2 VAL A 55 -8.861 0.745 3.841 1.00 0.00 C ATOM 0 H VAL A 55 -9.524 2.378 6.032 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.278 -0.347 5.813 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.614 1.114 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.812 -0.940 4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.255 -1.279 6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.355 -1.746 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.033 0.799 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.575 -0.007 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.355 1.715 3.896 1.00 0.00 H new ATOM 835 N ASP A 56 -8.341 0.440 8.366 1.00 0.00 N ATOM 836 CA ASP A 56 -7.828 -0.072 9.636 1.00 0.00 C ATOM 837 C ASP A 56 -8.891 -0.897 10.354 1.00 0.00 C ATOM 838 O ASP A 56 -9.991 -0.414 10.627 1.00 0.00 O ATOM 839 CB ASP A 56 -7.387 1.091 10.523 1.00 0.00 C ATOM 840 CG ASP A 56 -6.763 0.557 11.804 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.234 -0.543 11.773 1.00 0.00 O ATOM 842 OD2 ASP A 56 -6.823 1.254 12.797 1.00 0.00 O ATOM 0 H ASP A 56 -8.137 1.424 8.189 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.972 -0.715 9.430 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.669 1.714 9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.242 1.723 10.761 1.00 0.00 H new ATOM 847 N ALA A 57 -8.558 -2.155 10.637 1.00 0.00 N ATOM 848 CA ALA A 57 -9.491 -3.064 11.302 1.00 0.00 C ATOM 849 C ALA A 57 -9.427 -2.941 12.827 1.00 0.00 C ATOM 850 O ALA A 57 -10.438 -3.114 13.506 1.00 0.00 O ATOM 851 CB ALA A 57 -9.180 -4.507 10.894 1.00 0.00 C ATOM 0 H ALA A 57 -7.652 -2.568 10.417 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.498 -2.790 10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.876 -5.183 11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.282 -4.610 9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.160 -4.756 11.187 1.00 0.00 H new ATOM 857 N ASP A 58 -8.240 -2.667 13.366 1.00 0.00 N ATOM 858 CA ASP A 58 -8.075 -2.554 14.816 1.00 0.00 C ATOM 859 C ASP A 58 -8.374 -1.137 15.302 1.00 0.00 C ATOM 860 O ASP A 58 -8.415 -0.883 16.507 1.00 0.00 O ATOM 861 CB ASP A 58 -6.642 -2.928 15.196 1.00 0.00 C ATOM 862 CG ASP A 58 -6.510 -3.039 16.711 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.533 -3.072 17.375 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.386 -3.091 17.184 1.00 0.00 O ATOM 0 H ASP A 58 -7.386 -2.520 12.828 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.781 -3.234 15.292 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.370 -3.875 14.730 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.950 -2.176 14.818 1.00 0.00 H new ATOM 869 N GLY A 59 -8.566 -0.212 14.368 1.00 0.00 N ATOM 870 CA GLY A 59 -8.844 1.173 14.735 1.00 0.00 C ATOM 871 C GLY A 59 -7.630 1.780 15.429 1.00 0.00 C ATOM 872 O GLY A 59 -7.751 2.724 16.209 1.00 0.00 O ATOM 0 H GLY A 59 -8.535 -0.391 13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.092 1.751 13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.710 1.217 15.395 1.00 0.00 H new ATOM 876 N ASN A 60 -6.460 1.222 15.135 1.00 0.00 N ATOM 877 CA ASN A 60 -5.212 1.689 15.727 1.00 0.00 C ATOM 878 C ASN A 60 -4.653 2.870 14.940 1.00 0.00 C ATOM 879 O ASN A 60 -3.852 3.650 15.455 1.00 0.00 O ATOM 880 CB ASN A 60 -4.196 0.547 15.732 1.00 0.00 C ATOM 881 CG ASN A 60 -3.950 0.060 14.306 1.00 0.00 C ATOM 882 OD1 ASN A 60 -4.628 0.491 13.375 1.00 0.00 O ATOM 883 ND2 ASN A 60 -3.012 -0.819 14.079 1.00 0.00 N ATOM 0 H ASN A 60 -6.350 0.442 14.487 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.407 2.015 16.749 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.260 0.884 16.176 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.563 -0.274 16.347 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.841 -1.149 13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.450 -1.176 14.852 1.00 0.00 H new ATOM 890 N GLY A 61 -5.083 2.987 13.687 1.00 0.00 N ATOM 891 CA GLY A 61 -4.626 4.068 12.813 1.00 0.00 C ATOM 892 C GLY A 61 -3.564 3.570 11.834 1.00 0.00 C ATOM 893 O GLY A 61 -3.127 4.308 10.953 1.00 0.00 O ATOM 0 H GLY A 61 -5.748 2.347 13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.472 4.476 12.260 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.218 4.880 13.416 1.00 0.00 H new ATOM 897 N THR A 62 -3.150 2.313 12.000 1.00 0.00 N ATOM 898 CA THR A 62 -2.130 1.715 11.130 1.00 0.00 C ATOM 899 C THR A 62 -2.619 0.390 10.556 1.00 0.00 C ATOM 900 O THR A 62 -3.579 -0.196 11.058 1.00 0.00 O ATOM 901 CB THR A 62 -0.849 1.484 11.926 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.077 0.484 12.909 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.427 2.785 12.605 1.00 0.00 C ATOM 0 H THR A 62 -3.503 1.689 12.726 1.00 0.00 H new ATOM 0 HA THR A 62 -1.933 2.400 10.305 1.00 0.00 H new ATOM 0 HB THR A 62 -0.057 1.156 11.253 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.254 0.334 13.420 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.488 2.619 13.173 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.250 3.550 11.848 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.217 3.117 13.279 1.00 0.00 H new ATOM 911 N ILE A 63 -1.943 -0.083 9.500 1.00 0.00 N ATOM 912 CA ILE A 63 -2.311 -1.353 8.861 1.00 0.00 C ATOM 913 C ILE A 63 -1.290 -2.427 9.195 1.00 0.00 C ATOM 914 O ILE A 63 -0.110 -2.311 8.854 1.00 0.00 O ATOM 915 CB ILE A 63 -2.381 -1.195 7.336 1.00 0.00 C ATOM 916 CG1 ILE A 63 -3.147 0.090 6.993 1.00 0.00 C ATOM 917 CG2 ILE A 63 -3.075 -2.413 6.711 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.521 0.087 7.671 1.00 0.00 C ATOM 0 H ILE A 63 -1.146 0.390 9.074 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.291 -1.644 9.239 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.371 -1.129 6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.576 0.960 7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.267 0.173 5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.119 -2.291 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.513 -3.315 6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.086 -2.499 7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.053 1.004 7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.095 -0.772 7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.393 0.027 8.752 1.00 0.00 H new ATOM 930 N ASP A 64 -1.749 -3.459 9.890 1.00 0.00 N ATOM 931 CA ASP A 64 -0.872 -4.543 10.289 1.00 0.00 C ATOM 932 C ASP A 64 -0.412 -5.352 9.075 1.00 0.00 C ATOM 933 O ASP A 64 -0.776 -5.055 7.934 1.00 0.00 O ATOM 934 CB ASP A 64 -1.593 -5.448 11.292 1.00 0.00 C ATOM 935 CG ASP A 64 -2.388 -4.604 12.284 1.00 0.00 C ATOM 936 OD1 ASP A 64 -1.918 -3.531 12.629 1.00 0.00 O ATOM 937 OD2 ASP A 64 -3.454 -5.043 12.688 1.00 0.00 O ATOM 0 H ASP A 64 -2.719 -3.565 10.186 1.00 0.00 H new ATOM 0 HA ASP A 64 0.013 -4.117 10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.261 -6.128 10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.868 -6.063 11.825 1.00 0.00 H new ATOM 942 N PHE A 65 0.403 -6.363 9.347 1.00 0.00 N ATOM 943 CA PHE A 65 0.959 -7.238 8.318 1.00 0.00 C ATOM 944 C PHE A 65 -0.114 -8.195 7.763 1.00 0.00 C ATOM 945 O PHE A 65 -0.307 -8.287 6.537 1.00 0.00 O ATOM 946 CB PHE A 65 2.173 -8.050 8.898 1.00 0.00 C ATOM 947 CG PHE A 65 2.458 -7.640 10.342 1.00 0.00 C ATOM 948 CD1 PHE A 65 2.640 -6.290 10.658 1.00 0.00 C ATOM 949 CD2 PHE A 65 2.522 -8.605 11.366 1.00 0.00 C ATOM 950 CE1 PHE A 65 2.871 -5.896 11.985 1.00 0.00 C ATOM 951 CE2 PHE A 65 2.761 -8.209 12.693 1.00 0.00 C ATOM 952 CZ PHE A 65 2.931 -6.854 13.000 1.00 0.00 C ATOM 0 H PHE A 65 0.700 -6.602 10.293 1.00 0.00 H new ATOM 0 HA PHE A 65 1.310 -6.616 7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.957 -9.117 8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.058 -7.878 8.285 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.603 -5.546 9.876 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.387 -9.650 11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.003 -4.851 12.222 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.814 -8.951 13.476 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.108 -6.549 14.021 1.00 0.00 H new ATOM 962 N PRO A 66 -0.798 -8.920 8.619 1.00 0.00 N ATOM 963 CA PRO A 66 -1.824 -9.900 8.172 1.00 0.00 C ATOM 964 C PRO A 66 -3.014 -9.234 7.499 1.00 0.00 C ATOM 965 O PRO A 66 -3.600 -9.803 6.602 1.00 0.00 O ATOM 966 CB PRO A 66 -2.247 -10.620 9.467 1.00 0.00 C ATOM 967 CG PRO A 66 -1.912 -9.671 10.569 1.00 0.00 C ATOM 968 CD PRO A 66 -0.694 -8.877 10.092 1.00 0.00 C ATOM 0 HA PRO A 66 -1.427 -10.580 7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.312 -10.853 9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.715 -11.564 9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.751 -9.008 10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.690 -10.208 11.491 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.714 -7.853 10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.237 -9.325 10.440 1.00 0.00 H new ATOM 976 N GLU A 67 -3.371 -8.040 7.942 1.00 0.00 N ATOM 977 CA GLU A 67 -4.517 -7.346 7.365 1.00 0.00 C ATOM 978 C GLU A 67 -4.330 -7.074 5.874 1.00 0.00 C ATOM 979 O GLU A 67 -5.176 -7.434 5.054 1.00 0.00 O ATOM 980 CB GLU A 67 -4.715 -6.027 8.099 1.00 0.00 C ATOM 981 CG GLU A 67 -5.058 -6.301 9.567 1.00 0.00 C ATOM 982 CD GLU A 67 -6.460 -6.895 9.684 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.154 -6.930 8.682 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.805 -7.331 10.770 1.00 0.00 O ATOM 0 H GLU A 67 -2.894 -7.534 8.688 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.392 -7.986 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.810 -5.423 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.515 -5.454 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.328 -6.988 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.999 -5.375 10.140 1.00 0.00 H new ATOM 991 N PHE A 68 -3.221 -6.439 5.528 1.00 0.00 N ATOM 992 CA PHE A 68 -2.946 -6.124 4.136 1.00 0.00 C ATOM 993 C PHE A 68 -2.917 -7.400 3.305 1.00 0.00 C ATOM 994 O PHE A 68 -3.638 -7.540 2.293 1.00 0.00 O ATOM 995 CB PHE A 68 -1.595 -5.420 4.054 1.00 0.00 C ATOM 996 CG PHE A 68 -1.407 -4.864 2.667 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.049 -5.714 1.614 1.00 0.00 C ATOM 998 CD2 PHE A 68 -1.589 -3.497 2.435 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.872 -5.193 0.328 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.415 -2.976 1.149 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.055 -3.826 0.095 1.00 0.00 C ATOM 0 H PHE A 68 -2.503 -6.134 6.185 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.729 -5.475 3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.545 -4.617 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.793 -6.119 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.910 -6.770 1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.864 -2.843 3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.594 -5.847 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.558 -1.921 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.919 -3.425 -0.899 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.094 -8.341 3.754 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.970 -9.616 3.068 1.00 0.00 C ATOM 1013 C LEU A 69 -3.298 -10.377 3.100 1.00 0.00 C ATOM 1014 O LEU A 69 -3.702 -10.990 2.119 1.00 0.00 O ATOM 1015 CB LEU A 69 -0.839 -10.445 3.699 1.00 0.00 C ATOM 1016 CG LEU A 69 -0.852 -11.898 3.155 1.00 0.00 C ATOM 1017 CD1 LEU A 69 0.583 -12.419 2.990 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -1.614 -12.837 4.115 1.00 0.00 C ATOM 0 H LEU A 69 -1.508 -8.244 4.583 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.719 -9.432 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.123 -9.980 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.952 -10.457 4.783 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.355 -11.886 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.558 -13.439 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.123 -11.782 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.088 -12.406 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.610 -13.850 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.128 -12.832 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.643 -12.493 4.220 1.00 0.00 H new ATOM 1030 N THR A 70 -3.962 -10.346 4.243 1.00 0.00 N ATOM 1031 CA THR A 70 -5.233 -11.048 4.404 1.00 0.00 C ATOM 1032 C THR A 70 -6.153 -10.775 3.226 1.00 0.00 C ATOM 1033 O THR A 70 -6.555 -11.688 2.524 1.00 0.00 O ATOM 1034 CB THR A 70 -5.918 -10.584 5.697 1.00 0.00 C ATOM 1035 OG1 THR A 70 -5.352 -11.248 6.813 1.00 0.00 O ATOM 1036 CG2 THR A 70 -7.430 -10.860 5.670 1.00 0.00 C ATOM 0 H THR A 70 -3.647 -9.845 5.074 1.00 0.00 H new ATOM 0 HA THR A 70 -5.031 -12.118 4.452 1.00 0.00 H new ATOM 0 HB THR A 70 -5.762 -9.508 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.382 -11.107 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.879 -10.518 6.602 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.882 -10.328 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.603 -11.930 5.556 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.656 3.082 -3.056 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.595 2.683 -2.136 1.00 0.00 C ATOM 1207 C ALA B 48 -8.608 1.710 -2.786 1.00 0.00 C ATOM 1208 O ALA B 48 -7.393 1.875 -2.664 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.228 2.022 -0.911 1.00 0.00 C ATOM 0 HA ALA B 48 -9.038 3.576 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.445 1.719 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.896 2.730 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.795 1.145 -1.223 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.131 0.695 -3.467 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.277 -0.299 -4.114 1.00 0.00 C ATOM 1217 C ALA B 49 -7.412 0.349 -5.189 1.00 0.00 C ATOM 1218 O ALA B 49 -6.244 -0.001 -5.353 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.135 -1.398 -4.743 1.00 0.00 C ATOM 0 H ALA B 49 -10.132 0.538 -3.585 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.626 -0.734 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -8.490 -2.134 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -9.728 -1.885 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.800 -0.959 -5.487 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.993 1.294 -5.915 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.265 1.990 -6.971 1.00 0.00 C ATOM 1227 C LEU B 50 -6.094 2.764 -6.382 1.00 0.00 C ATOM 1228 O LEU B 50 -4.995 2.764 -6.936 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.209 2.950 -7.700 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.448 3.769 -8.758 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -6.716 2.838 -9.735 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -8.455 4.637 -9.527 1.00 0.00 C ATOM 0 H LEU B 50 -8.960 1.596 -5.795 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.879 1.256 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.010 2.386 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.677 3.622 -6.981 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.708 4.399 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -6.183 3.434 -10.476 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -6.004 2.221 -9.186 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -7.440 2.196 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.929 5.223 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.190 3.996 -10.014 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.961 5.308 -8.833 1.00 0.00 H new ATOM 1244 N SER B 51 -6.342 3.426 -5.256 1.00 0.00 N ATOM 1245 CA SER B 51 -5.309 4.208 -4.592 1.00 0.00 C ATOM 1246 C SER B 51 -4.135 3.316 -4.214 1.00 0.00 C ATOM 1247 O SER B 51 -2.972 3.665 -4.434 1.00 0.00 O ATOM 1248 CB SER B 51 -5.887 4.847 -3.332 1.00 0.00 C ATOM 1249 OG SER B 51 -6.912 5.763 -3.696 1.00 0.00 O ATOM 0 H SER B 51 -7.247 3.436 -4.787 1.00 0.00 H new ATOM 0 HA SER B 51 -4.960 4.984 -5.273 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.289 4.078 -2.672 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.102 5.363 -2.779 1.00 0.00 H new ATOM 0 HG SER B 51 -7.286 6.173 -2.888 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.453 2.157 -3.655 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.426 1.208 -3.255 1.00 0.00 C ATOM 1257 C TRP B 52 -2.686 0.669 -4.477 1.00 0.00 C ATOM 1258 O TRP B 52 -1.463 0.560 -4.473 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.065 0.051 -2.473 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.356 0.477 -1.065 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.591 0.598 -0.525 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.412 0.834 -0.013 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.463 0.997 0.797 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.139 1.156 1.158 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.007 0.905 0.040 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.496 1.533 2.340 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.356 1.285 1.225 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -2.097 1.597 2.373 1.00 0.00 C ATOM 0 H TRP B 52 -5.409 1.853 -3.469 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.707 1.720 -2.616 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -4.986 -0.264 -2.963 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.395 -0.809 -2.470 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.523 0.414 -1.039 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.250 1.154 1.426 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.425 0.665 -0.838 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -4.073 1.773 3.221 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.278 1.337 1.252 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.590 1.886 3.282 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.438 0.324 -5.519 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.839 -0.215 -6.738 1.00 0.00 C ATOM 1281 C GLN B 53 -1.946 0.824 -7.416 1.00 0.00 C ATOM 1282 O GLN B 53 -0.866 0.497 -7.907 1.00 0.00 O ATOM 1283 CB GLN B 53 -3.944 -0.658 -7.705 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.335 -1.354 -8.929 1.00 0.00 C ATOM 1285 CD GLN B 53 -2.646 -2.646 -8.509 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -3.159 -3.376 -7.662 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -1.507 -2.974 -9.051 1.00 0.00 N ATOM 0 H GLN B 53 -4.454 0.407 -5.545 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.223 -1.072 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.630 -1.336 -7.197 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.527 0.207 -8.023 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.115 -1.570 -9.660 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.618 -0.692 -9.414 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.083 -2.368 -9.753 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -1.040 -3.837 -8.773 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.403 2.073 -7.452 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.629 3.133 -8.090 1.00 0.00 C ATOM 1298 C ALA B 54 -0.313 3.374 -7.355 1.00 0.00 C ATOM 1299 O ALA B 54 0.727 3.580 -7.980 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.443 4.429 -8.116 1.00 0.00 C ATOM 0 H ALA B 54 -3.292 2.373 -7.053 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.403 2.819 -9.109 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.859 5.216 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.364 4.269 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.687 4.726 -7.096 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.363 3.350 -6.027 1.00 0.00 N ATOM 1307 CA ALA B 55 0.835 3.573 -5.224 1.00 0.00 C ATOM 1308 C ALA B 55 1.840 2.438 -5.415 1.00 0.00 C ATOM 1309 O ALA B 55 3.042 2.671 -5.530 1.00 0.00 O ATOM 1310 CB ALA B 55 0.456 3.677 -3.748 1.00 0.00 C ATOM 0 H ALA B 55 -1.212 3.180 -5.488 1.00 0.00 H new ATOM 0 HA ALA B 55 1.298 4.504 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.354 3.843 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.233 4.510 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.024 2.752 -3.430 1.00 0.00 H new ATOM 1316 N ILE B 56 1.333 1.209 -5.448 1.00 0.00 N ATOM 1317 CA ILE B 56 2.187 0.037 -5.626 1.00 0.00 C ATOM 1318 C ILE B 56 2.853 0.067 -6.997 1.00 0.00 C ATOM 1319 O ILE B 56 4.043 -0.220 -7.128 1.00 0.00 O ATOM 1320 CB ILE B 56 1.341 -1.233 -5.486 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.870 -1.370 -4.034 1.00 0.00 C ATOM 1322 CG2 ILE B 56 2.172 -2.461 -5.867 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.246 -2.414 -3.940 1.00 0.00 C ATOM 0 H ILE B 56 0.339 0.998 -5.354 1.00 0.00 H new ATOM 0 HA ILE B 56 2.965 0.045 -4.863 1.00 0.00 H new ATOM 0 HB ILE B 56 0.479 -1.164 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.706 -1.661 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.511 -0.408 -3.668 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.563 -3.359 -5.764 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.508 -2.367 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.038 -2.533 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.574 -2.504 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.087 -2.105 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.127 -3.377 -4.288 1.00 0.00 H new ATOM 1335 N ASP B 57 2.072 0.407 -8.015 1.00 0.00 N ATOM 1336 CA ASP B 57 2.588 0.464 -9.378 1.00 0.00 C ATOM 1337 C ASP B 57 3.733 1.465 -9.481 1.00 0.00 C ATOM 1338 O ASP B 57 4.792 1.156 -10.027 1.00 0.00 O ATOM 1339 CB ASP B 57 1.462 0.868 -10.333 1.00 0.00 C ATOM 1340 CG ASP B 57 1.981 0.941 -11.765 1.00 0.00 C ATOM 1341 OD1 ASP B 57 3.176 0.788 -11.954 1.00 0.00 O ATOM 1342 OD2 ASP B 57 1.172 1.152 -12.656 1.00 0.00 O ATOM 0 H ASP B 57 1.085 0.646 -7.924 1.00 0.00 H new ATOM 0 HA ASP B 57 2.966 -0.522 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.647 0.147 -10.271 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.055 1.835 -10.037 1.00 0.00 H new ATOM 1347 N ALA B 58 3.515 2.664 -8.950 1.00 0.00 N ATOM 1348 CA ALA B 58 4.540 3.699 -8.987 1.00 0.00 C ATOM 1349 C ALA B 58 5.731 3.309 -8.117 1.00 0.00 C ATOM 1350 O ALA B 58 6.882 3.529 -8.493 1.00 0.00 O ATOM 1351 CB ALA B 58 3.956 5.024 -8.497 1.00 0.00 C ATOM 0 H ALA B 58 2.646 2.941 -8.493 1.00 0.00 H new ATOM 0 HA ALA B 58 4.882 3.810 -10.016 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.727 5.794 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.126 5.316 -9.140 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.598 4.908 -7.474 1.00 0.00 H new ATOM 1357 N ALA B 59 5.447 2.723 -6.959 1.00 0.00 N ATOM 1358 CA ALA B 59 6.507 2.304 -6.051 1.00 0.00 C ATOM 1359 C ALA B 59 7.361 1.226 -6.705 1.00 0.00 C ATOM 1360 O ALA B 59 8.590 1.260 -6.635 1.00 0.00 O ATOM 1361 CB ALA B 59 5.900 1.753 -4.758 1.00 0.00 C ATOM 0 H ALA B 59 4.501 2.529 -6.630 1.00 0.00 H new ATOM 0 HA ALA B 59 7.130 3.168 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.699 1.442 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.302 2.527 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.267 0.897 -4.989 1.00 0.00 H new ATOM 1367 N ARG B 60 6.694 0.273 -7.343 1.00 0.00 N ATOM 1368 CA ARG B 60 7.386 -0.820 -8.013 1.00 0.00 C ATOM 1369 C ARG B 60 8.240 -0.286 -9.159 1.00 0.00 C ATOM 1370 O ARG B 60 9.393 -0.683 -9.324 1.00 0.00 O ATOM 1371 CB ARG B 60 6.364 -1.820 -8.564 1.00 0.00 C ATOM 1372 CG ARG B 60 7.062 -3.128 -8.975 1.00 0.00 C ATOM 1373 CD ARG B 60 7.149 -4.083 -7.776 1.00 0.00 C ATOM 1374 NE ARG B 60 7.882 -5.284 -8.162 1.00 0.00 N ATOM 1375 CZ ARG B 60 7.264 -6.322 -8.724 1.00 0.00 C ATOM 1376 NH1 ARG B 60 5.967 -6.305 -8.885 1.00 0.00 N ATOM 1377 NH2 ARG B 60 7.956 -7.359 -9.105 1.00 0.00 N ATOM 0 H ARG B 60 5.677 0.235 -7.411 1.00 0.00 H new ATOM 0 HA ARG B 60 8.033 -1.317 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.605 -2.027 -7.810 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.850 -1.389 -9.423 1.00 0.00 H new ATOM 0 HG2 ARG B 60 6.512 -3.602 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG B 60 8.062 -2.912 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.649 -3.591 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG B 60 6.148 -4.349 -7.436 1.00 0.00 H new ATOM 0 HE ARG B 60 8.888 -5.330 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG B 60 5.426 -5.496 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG B 60 5.496 -7.101 -9.316 1.00 0.00 H new ATOM 0 HH21 ARG B 60 8.967 -7.374 -8.972 1.00 0.00 H new ATOM 0 HH22 ARG B 60 7.486 -8.155 -9.536 1.00 0.00 H new ATOM 1391 N GLN B 61 7.666 0.618 -9.951 1.00 0.00 N ATOM 1392 CA GLN B 61 8.388 1.195 -11.077 1.00 0.00 C ATOM 1393 C GLN B 61 9.590 1.982 -10.570 1.00 0.00 C ATOM 1394 O GLN B 61 10.672 1.932 -11.156 1.00 0.00 O ATOM 1395 CB GLN B 61 7.461 2.116 -11.880 1.00 0.00 C ATOM 1396 CG GLN B 61 8.204 2.666 -13.105 1.00 0.00 C ATOM 1397 CD GLN B 61 7.284 3.583 -13.905 1.00 0.00 C ATOM 1398 OE1 GLN B 61 6.828 4.606 -13.396 1.00 0.00 O ATOM 1399 NE2 GLN B 61 6.985 3.278 -15.139 1.00 0.00 N ATOM 0 H GLN B 61 6.713 0.962 -9.834 1.00 0.00 H new ATOM 0 HA GLN B 61 8.735 0.391 -11.726 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.575 1.567 -12.198 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.118 2.938 -11.252 1.00 0.00 H new ATOM 0 HG2 GLN B 61 9.091 3.214 -12.787 1.00 0.00 H new ATOM 0 HG3 GLN B 61 8.546 1.843 -13.733 1.00 0.00 H new ATOM 0 HE21 GLN B 61 7.363 2.430 -15.561 1.00 0.00 H new ATOM 0 HE22 GLN B 61 6.373 3.888 -15.681 1.00 0.00 H new ATOM 1408 N ALA B 62 9.390 2.701 -9.473 1.00 0.00 N ATOM 1409 CA ALA B 62 10.461 3.492 -8.886 1.00 0.00 C ATOM 1410 C ALA B 62 11.585 2.587 -8.397 1.00 0.00 C ATOM 1411 O ALA B 62 12.763 2.913 -8.537 1.00 0.00 O ATOM 1412 CB ALA B 62 9.918 4.313 -7.716 1.00 0.00 C ATOM 0 H ALA B 62 8.501 2.752 -8.975 1.00 0.00 H new ATOM 0 HA ALA B 62 10.856 4.163 -9.649 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.724 4.903 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.132 4.979 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.510 3.643 -6.960 1.00 0.00 H new ATOM 1418 N LYS B 63 11.211 1.445 -7.827 1.00 0.00 N ATOM 1419 CA LYS B 63 12.197 0.499 -7.322 1.00 0.00 C ATOM 1420 C LYS B 63 13.062 -0.031 -8.464 1.00 0.00 C ATOM 1421 O LYS B 63 14.289 -0.075 -8.358 1.00 0.00 O ATOM 1422 CB LYS B 63 11.484 -0.670 -6.628 1.00 0.00 C ATOM 1423 CG LYS B 63 12.517 -1.602 -5.991 1.00 0.00 C ATOM 1424 CD LYS B 63 11.796 -2.707 -5.215 1.00 0.00 C ATOM 1425 CE LYS B 63 12.831 -3.618 -4.555 1.00 0.00 C ATOM 1426 NZ LYS B 63 13.609 -4.328 -5.607 1.00 0.00 N ATOM 0 H LYS B 63 10.241 1.155 -7.705 1.00 0.00 H new ATOM 0 HA LYS B 63 12.839 1.011 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.803 -0.292 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.880 -1.220 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS B 63 13.153 -2.039 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.168 -1.038 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.144 -2.270 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS B 63 11.162 -3.285 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.500 -3.030 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS B 63 12.335 -4.339 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 14.086 -5.152 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 12.966 -4.646 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 14.319 -3.683 -6.008 1.00 0.00 H new ATOM 1440 N LEU B 64 12.415 -0.432 -9.553 1.00 0.00 N ATOM 1441 CA LEU B 64 13.131 -0.962 -10.710 1.00 0.00 C ATOM 1442 C LEU B 64 13.998 0.115 -11.364 1.00 0.00 C ATOM 1443 O LEU B 64 15.145 -0.136 -11.731 1.00 0.00 O ATOM 1444 CB LEU B 64 12.125 -1.508 -11.727 1.00 0.00 C ATOM 1445 CG LEU B 64 11.430 -2.756 -11.156 1.00 0.00 C ATOM 1446 CD1 LEU B 64 10.234 -3.120 -12.046 1.00 0.00 C ATOM 1447 CD2 LEU B 64 12.408 -3.950 -11.086 1.00 0.00 C ATOM 0 H LEU B 64 11.401 -0.401 -9.660 1.00 0.00 H new ATOM 0 HA LEU B 64 13.787 -1.764 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.384 -0.745 -11.965 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.634 -1.758 -12.658 1.00 0.00 H new ATOM 0 HG LEU B 64 11.089 -2.534 -10.145 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.738 -4.004 -11.645 1.00 0.00 H new ATOM 0 HD12 LEU B 64 9.530 -2.288 -12.068 1.00 0.00 H new ATOM 0 HD13 LEU B 64 10.583 -3.327 -13.058 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.892 -4.820 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.773 -4.180 -12.087 1.00 0.00 H new ATOM 0 HD23 LEU B 64 13.250 -3.694 -10.443 1.00 0.00 H new ATOM 1459 N MET B 65 13.442 1.314 -11.506 1.00 0.00 N ATOM 1460 CA MET B 65 14.170 2.422 -12.120 1.00 0.00 C ATOM 1461 C MET B 65 15.324 2.881 -11.229 1.00 0.00 C ATOM 1462 O MET B 65 16.395 3.235 -11.721 1.00 0.00 O ATOM 1463 CB MET B 65 13.212 3.586 -12.384 1.00 0.00 C ATOM 1464 CG MET B 65 12.213 3.193 -13.478 1.00 0.00 C ATOM 1465 SD MET B 65 13.072 3.015 -15.064 1.00 0.00 S ATOM 1466 CE MET B 65 13.466 4.763 -15.335 1.00 0.00 C ATOM 0 H MET B 65 12.495 1.544 -11.206 1.00 0.00 H new ATOM 0 HA MET B 65 14.590 2.078 -13.065 1.00 0.00 H new ATOM 0 HB2 MET B 65 12.680 3.847 -11.469 1.00 0.00 H new ATOM 0 HB3 MET B 65 13.773 4.469 -12.690 1.00 0.00 H new ATOM 0 HG2 MET B 65 11.721 2.257 -13.214 1.00 0.00 H new ATOM 0 HG3 MET B 65 11.434 3.951 -13.560 1.00 0.00 H new ATOM 0 HE1 MET B 65 13.191 5.045 -16.351 1.00 0.00 H new ATOM 0 HE2 MET B 65 12.910 5.376 -14.626 1.00 0.00 H new ATOM 0 HE3 MET B 65 14.535 4.922 -15.191 1.00 0.00 H new ATOM 1476 N GLY B 66 15.100 2.867 -9.917 1.00 0.00 N ATOM 1477 CA GLY B 66 16.130 3.279 -8.965 1.00 0.00 C ATOM 1478 C GLY B 66 16.091 4.783 -8.696 1.00 0.00 C ATOM 1479 O GLY B 66 17.015 5.338 -8.103 1.00 0.00 O ATOM 0 H GLY B 66 14.220 2.577 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY B 66 15.994 2.739 -8.028 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.112 3.005 -9.351 1.00 0.00 H new