USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 531 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 5 THR OG1 : rot -80:sc= 1.18 USER MOD Set 1.2: A 8 GLN : amide:sc= 1.14 X(o=2.3,f=2.1) USER MOD Single : A 9 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.42) USER MOD Single : A 18 HIS : no HD1:sc= 0.13 K(o=0.13,f=-3.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 22 THR OG1 : rot -8:sc= 0.593 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 14:sc= 1.16 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= -0.0043 (180deg=-0.034) USER MOD Single : A 60 SER OG : rot 40:sc= 0.591 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -8.587 -1.613 -9.865 1.00 0.00 N ATOM 51 CA LEU A 4 -8.342 -1.817 -8.415 1.00 0.00 C ATOM 52 C LEU A 4 -9.661 -2.083 -7.596 1.00 0.00 C ATOM 53 O LEU A 4 -10.638 -1.333 -7.679 1.00 0.00 O ATOM 54 CB LEU A 4 -7.639 -0.578 -7.791 1.00 0.00 C ATOM 55 CG LEU A 4 -6.161 -0.310 -8.137 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.892 0.094 -9.585 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.645 0.831 -7.231 1.00 0.00 C ATOM 0 HA LEU A 4 -7.707 -2.700 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.210 0.305 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.713 -0.667 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.647 -1.258 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.824 0.259 -9.724 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.226 -0.700 -10.252 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.434 1.012 -9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.599 1.035 -7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.237 1.730 -7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.735 0.535 -6.186 1.00 0.00 H new ATOM 69 N THR A 5 -9.626 -3.121 -6.759 1.00 0.00 N ATOM 70 CA THR A 5 -10.725 -3.408 -5.792 1.00 0.00 C ATOM 71 C THR A 5 -10.693 -2.430 -4.565 1.00 0.00 C ATOM 72 O THR A 5 -9.620 -1.998 -4.136 1.00 0.00 O ATOM 73 CB THR A 5 -10.733 -4.890 -5.287 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.600 -5.209 -4.485 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.820 -5.946 -6.383 1.00 0.00 C ATOM 0 H THR A 5 -8.854 -3.787 -6.719 1.00 0.00 H new ATOM 0 HA THR A 5 -11.647 -3.247 -6.351 1.00 0.00 H new ATOM 0 HB THR A 5 -11.649 -4.927 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.832 -5.397 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.819 -6.939 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.740 -5.806 -6.951 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.963 -5.849 -7.050 1.00 0.00 H new ATOM 83 N ALA A 6 -11.861 -2.095 -3.997 1.00 0.00 N ATOM 84 CA ALA A 6 -11.974 -1.056 -2.933 1.00 0.00 C ATOM 85 C ALA A 6 -11.005 -1.119 -1.704 1.00 0.00 C ATOM 86 O ALA A 6 -10.440 -0.087 -1.341 1.00 0.00 O ATOM 87 CB ALA A 6 -13.448 -1.037 -2.498 1.00 0.00 C ATOM 0 H ALA A 6 -12.751 -2.524 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.634 -0.126 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.587 -0.290 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.077 -0.789 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.727 -2.019 -2.115 1.00 0.00 H new ATOM 93 N ARG A 7 -10.777 -2.299 -1.107 1.00 0.00 N ATOM 94 CA ARG A 7 -9.804 -2.448 0.014 1.00 0.00 C ATOM 95 C ARG A 7 -8.289 -2.389 -0.377 1.00 0.00 C ATOM 96 O ARG A 7 -7.523 -1.752 0.348 1.00 0.00 O ATOM 97 CB ARG A 7 -10.189 -3.714 0.810 1.00 0.00 C ATOM 98 CG ARG A 7 -9.656 -3.785 2.256 1.00 0.00 C ATOM 99 CD ARG A 7 -10.245 -2.711 3.182 1.00 0.00 C ATOM 100 NE ARG A 7 -9.889 -3.031 4.579 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.118 -2.253 5.625 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.698 -1.090 5.570 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.735 -2.678 6.777 1.00 0.00 N ATOM 0 H ARG A 7 -11.245 -3.166 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.890 -1.563 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.276 -3.785 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.827 -4.586 0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.878 -4.769 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.571 -3.683 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.859 -1.728 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.328 -2.670 3.070 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.429 -3.925 4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.012 -0.719 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.839 -0.549 6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.274 -3.584 6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.893 -2.109 7.609 1.00 0.00 H new ATOM 116 N GLN A 8 -7.847 -2.977 -1.508 1.00 0.00 N ATOM 117 CA GLN A 8 -6.487 -2.682 -2.066 1.00 0.00 C ATOM 118 C GLN A 8 -6.250 -1.215 -2.582 1.00 0.00 C ATOM 119 O GLN A 8 -5.148 -0.689 -2.424 1.00 0.00 O ATOM 120 CB GLN A 8 -6.053 -3.791 -3.058 1.00 0.00 C ATOM 121 CG GLN A 8 -6.559 -3.663 -4.504 1.00 0.00 C ATOM 122 CD GLN A 8 -6.362 -4.869 -5.402 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.317 -5.514 -5.820 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.155 -5.194 -5.782 1.00 0.00 N ATOM 0 H GLN A 8 -8.390 -3.647 -2.052 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.807 -2.711 -1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.964 -3.820 -3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.389 -4.750 -2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.624 -3.432 -4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.061 -2.810 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.353 -4.664 -5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.015 -5.977 -6.420 1.00 0.00 H new ATOM 133 N GLN A 9 -7.282 -0.553 -3.135 1.00 0.00 N ATOM 134 CA GLN A 9 -7.304 0.924 -3.330 1.00 0.00 C ATOM 135 C GLN A 9 -7.116 1.767 -2.017 1.00 0.00 C ATOM 136 O GLN A 9 -6.291 2.678 -2.027 1.00 0.00 O ATOM 137 CB GLN A 9 -8.610 1.280 -4.087 1.00 0.00 C ATOM 138 CG GLN A 9 -8.567 2.530 -4.992 1.00 0.00 C ATOM 139 CD GLN A 9 -8.345 3.878 -4.331 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.972 4.244 -3.343 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.453 4.681 -4.848 1.00 0.00 N ATOM 0 H GLN A 9 -8.128 -1.019 -3.462 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.431 1.202 -3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.891 0.425 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.403 1.419 -3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.776 2.384 -5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.507 2.578 -5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.922 4.392 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.287 5.596 -4.430 1.00 0.00 H new ATOM 150 N GLU A 10 -7.797 1.439 -0.904 1.00 0.00 N ATOM 151 CA GLU A 10 -7.478 2.003 0.441 1.00 0.00 C ATOM 152 C GLU A 10 -5.997 1.808 0.949 1.00 0.00 C ATOM 153 O GLU A 10 -5.410 2.758 1.470 1.00 0.00 O ATOM 154 CB GLU A 10 -8.472 1.445 1.494 1.00 0.00 C ATOM 155 CG GLU A 10 -9.909 1.989 1.379 1.00 0.00 C ATOM 156 CD GLU A 10 -10.829 1.451 2.464 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.389 0.361 2.414 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.961 2.316 3.505 1.00 0.00 O ATOM 0 H GLU A 10 -8.578 0.783 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.584 3.081 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.502 0.359 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.091 1.673 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.887 3.077 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.315 1.728 0.402 1.00 0.00 H new ATOM 166 N VAL A 11 -5.398 0.623 0.765 1.00 0.00 N ATOM 167 CA VAL A 11 -3.934 0.400 1.007 1.00 0.00 C ATOM 168 C VAL A 11 -2.993 1.270 0.079 1.00 0.00 C ATOM 169 O VAL A 11 -2.051 1.882 0.587 1.00 0.00 O ATOM 170 CB VAL A 11 -3.609 -1.131 0.946 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.121 -1.447 1.213 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.407 -1.965 1.982 1.00 0.00 C ATOM 0 H VAL A 11 -5.893 -0.210 0.448 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.712 0.757 2.013 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.888 -1.403 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.962 -2.524 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.503 -0.949 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.846 -1.091 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.137 -3.017 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.171 -1.618 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.475 -1.847 1.799 1.00 0.00 H new ATOM 182 N PHE A 12 -3.269 1.359 -1.233 1.00 0.00 N ATOM 183 CA PHE A 12 -2.654 2.391 -2.123 1.00 0.00 C ATOM 184 C PHE A 12 -2.842 3.890 -1.695 1.00 0.00 C ATOM 185 O PHE A 12 -1.873 4.652 -1.760 1.00 0.00 O ATOM 186 CB PHE A 12 -3.176 2.105 -3.556 1.00 0.00 C ATOM 187 CG PHE A 12 -2.615 3.011 -4.668 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.231 3.142 -4.871 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.484 3.767 -5.468 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.732 4.020 -5.833 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.984 4.638 -6.439 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.608 4.765 -6.618 1.00 0.00 C ATOM 0 H PHE A 12 -3.914 0.732 -1.714 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.571 2.291 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.945 1.070 -3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.262 2.197 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.546 2.556 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.551 3.675 -5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.335 4.122 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.664 5.213 -7.051 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.221 5.441 -7.366 1.00 0.00 H new ATOM 202 N ASP A 13 -4.040 4.296 -1.245 1.00 0.00 N ATOM 203 CA ASP A 13 -4.266 5.626 -0.619 1.00 0.00 C ATOM 204 C ASP A 13 -3.323 5.947 0.592 1.00 0.00 C ATOM 205 O ASP A 13 -2.717 7.013 0.571 1.00 0.00 O ATOM 206 CB ASP A 13 -5.748 5.828 -0.225 1.00 0.00 C ATOM 207 CG ASP A 13 -6.746 5.798 -1.371 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.563 6.330 -2.462 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.868 5.096 -1.059 1.00 0.00 O ATOM 0 H ASP A 13 -4.881 3.721 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.003 6.343 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.023 5.054 0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.841 6.785 0.288 1.00 0.00 H new ATOM 215 N LEU A 14 -3.109 5.036 1.558 1.00 0.00 N ATOM 216 CA LEU A 14 -2.058 5.210 2.599 1.00 0.00 C ATOM 217 C LEU A 14 -0.574 5.440 2.089 1.00 0.00 C ATOM 218 O LEU A 14 0.141 6.232 2.698 1.00 0.00 O ATOM 219 CB LEU A 14 -2.012 4.005 3.573 1.00 0.00 C ATOM 220 CG LEU A 14 -3.283 3.587 4.330 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.879 2.498 5.341 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.981 4.728 5.062 1.00 0.00 C ATOM 0 H LEU A 14 -3.643 4.172 1.647 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.378 6.133 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.673 3.139 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.245 4.218 4.318 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.004 3.230 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.758 2.175 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.454 1.647 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.138 2.900 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.867 4.347 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.300 5.160 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.275 5.494 4.345 1.00 0.00 H new ATOM 234 N ILE A 15 -0.131 4.782 1.010 1.00 0.00 N ATOM 235 CA ILE A 15 1.179 5.099 0.341 1.00 0.00 C ATOM 236 C ILE A 15 1.234 6.545 -0.257 1.00 0.00 C ATOM 237 O ILE A 15 2.142 7.306 0.082 1.00 0.00 O ATOM 238 CB ILE A 15 1.551 3.930 -0.645 1.00 0.00 C ATOM 239 CG1 ILE A 15 1.962 2.662 0.169 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.682 4.277 -1.639 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.964 1.361 -0.627 1.00 0.00 C ATOM 0 H ILE A 15 -0.647 4.022 0.566 1.00 0.00 H new ATOM 0 HA ILE A 15 1.972 5.139 1.087 1.00 0.00 H new ATOM 0 HB ILE A 15 0.656 3.747 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.958 2.820 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.281 2.553 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.877 3.419 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.381 5.128 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.587 4.530 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.262 0.538 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.964 1.172 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.667 1.443 -1.456 1.00 0.00 H new ATOM 253 N ARG A 16 0.266 6.921 -1.096 1.00 0.00 N ATOM 254 CA ARG A 16 0.132 8.313 -1.619 1.00 0.00 C ATOM 255 C ARG A 16 -0.086 9.435 -0.539 1.00 0.00 C ATOM 256 O ARG A 16 0.614 10.450 -0.562 1.00 0.00 O ATOM 257 CB ARG A 16 -0.985 8.217 -2.682 1.00 0.00 C ATOM 258 CG ARG A 16 -1.044 9.383 -3.685 1.00 0.00 C ATOM 259 CD ARG A 16 -1.990 9.086 -4.866 1.00 0.00 C ATOM 260 NE ARG A 16 -3.405 9.328 -4.503 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.287 8.416 -4.133 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.050 7.140 -4.056 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.464 8.830 -3.814 1.00 0.00 N ATOM 0 H ARG A 16 -0.452 6.284 -1.440 1.00 0.00 H new ATOM 0 HA ARG A 16 1.075 8.656 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.855 7.288 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.945 8.151 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.378 10.285 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.043 9.584 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.719 9.712 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.866 8.050 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.731 10.294 -4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.126 6.778 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.788 6.501 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.682 9.826 -3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.178 8.162 -3.522 1.00 0.00 H new ATOM 276 N ASP A 17 -0.997 9.220 0.419 1.00 0.00 N ATOM 277 CA ASP A 17 -1.208 10.110 1.587 1.00 0.00 C ATOM 278 C ASP A 17 -0.010 10.233 2.592 1.00 0.00 C ATOM 279 O ASP A 17 0.308 11.355 2.983 1.00 0.00 O ATOM 280 CB ASP A 17 -2.483 9.633 2.339 1.00 0.00 C ATOM 281 CG ASP A 17 -3.799 9.986 1.669 1.00 0.00 C ATOM 282 OD1 ASP A 17 -4.606 9.161 1.255 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.999 11.329 1.602 1.00 0.00 O ATOM 0 H ASP A 17 -1.621 8.413 0.412 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.313 11.115 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.432 8.551 2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.477 10.063 3.341 1.00 0.00 H new ATOM 289 N HIS A 18 0.625 9.137 3.039 1.00 0.00 N ATOM 290 CA HIS A 18 1.800 9.213 3.963 1.00 0.00 C ATOM 291 C HIS A 18 3.111 9.794 3.333 1.00 0.00 C ATOM 292 O HIS A 18 3.785 10.563 4.018 1.00 0.00 O ATOM 293 CB HIS A 18 2.007 7.827 4.598 1.00 0.00 C ATOM 294 CG HIS A 18 2.764 7.806 5.943 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.187 7.273 7.090 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.092 8.216 6.221 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.231 7.413 7.967 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.396 7.980 7.544 1.00 0.00 N ATOM 0 H HIS A 18 0.356 8.186 2.785 1.00 0.00 H new ATOM 0 HA HIS A 18 1.564 9.949 4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.030 7.368 4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.549 7.201 3.889 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.768 8.651 5.500 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.131 7.076 8.988 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.253 8.175 8.062 1.00 0.00 H new ATOM 306 N ILE A 19 3.445 9.505 2.060 1.00 0.00 N ATOM 307 CA ILE A 19 4.530 10.243 1.323 1.00 0.00 C ATOM 308 C ILE A 19 4.278 11.802 1.255 1.00 0.00 C ATOM 309 O ILE A 19 5.188 12.566 1.588 1.00 0.00 O ATOM 310 CB ILE A 19 4.808 9.583 -0.082 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.370 8.133 0.071 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.831 10.395 -0.925 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.328 7.292 -1.207 1.00 0.00 C ATOM 0 H ILE A 19 2.992 8.774 1.511 1.00 0.00 H new ATOM 0 HA ILE A 19 5.448 10.142 1.902 1.00 0.00 H new ATOM 0 HB ILE A 19 3.845 9.568 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.402 8.193 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.803 7.618 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.988 9.899 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.445 11.400 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.778 10.456 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.738 6.302 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.296 7.195 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.920 7.778 -1.982 1.00 0.00 H new ATOM 325 N SER A 20 3.067 12.255 0.890 1.00 0.00 N ATOM 326 CA SER A 20 2.669 13.682 1.040 1.00 0.00 C ATOM 327 C SER A 20 2.621 14.296 2.491 1.00 0.00 C ATOM 328 O SER A 20 2.751 15.516 2.611 1.00 0.00 O ATOM 329 CB SER A 20 1.292 13.851 0.351 1.00 0.00 C ATOM 330 OG SER A 20 0.929 15.230 0.253 1.00 0.00 O ATOM 0 H SER A 20 2.341 11.662 0.488 1.00 0.00 H new ATOM 0 HA SER A 20 3.475 14.250 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.324 13.409 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.531 13.311 0.915 1.00 0.00 H new ATOM 0 HG SER A 20 0.057 15.308 -0.187 1.00 0.00 H new ATOM 336 N GLN A 21 2.415 13.497 3.547 1.00 0.00 N ATOM 337 CA GLN A 21 2.493 13.966 4.955 1.00 0.00 C ATOM 338 C GLN A 21 3.957 13.998 5.521 1.00 0.00 C ATOM 339 O GLN A 21 4.396 15.055 5.980 1.00 0.00 O ATOM 340 CB GLN A 21 1.577 13.089 5.852 1.00 0.00 C ATOM 341 CG GLN A 21 0.064 13.327 5.653 1.00 0.00 C ATOM 342 CD GLN A 21 -0.805 12.335 6.410 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.212 12.549 7.545 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.120 11.212 5.819 1.00 0.00 N ATOM 0 H GLN A 21 2.189 12.506 3.459 1.00 0.00 H new ATOM 0 HA GLN A 21 2.144 14.999 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.795 12.039 5.655 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.827 13.276 6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.184 14.338 5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.170 13.267 4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.787 11.022 4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.699 10.526 6.303 1.00 0.00 H new ATOM 353 N THR A 22 4.688 12.870 5.553 1.00 0.00 N ATOM 354 CA THR A 22 6.117 12.847 5.993 1.00 0.00 C ATOM 355 C THR A 22 6.909 11.690 5.286 1.00 0.00 C ATOM 356 O THR A 22 7.364 10.735 5.923 1.00 0.00 O ATOM 357 CB THR A 22 6.227 12.811 7.555 1.00 0.00 C ATOM 358 OG1 THR A 22 5.475 13.863 8.154 1.00 0.00 O ATOM 359 CG2 THR A 22 7.642 13.014 8.087 1.00 0.00 C ATOM 0 H THR A 22 4.324 11.957 5.282 1.00 0.00 H new ATOM 0 HA THR A 22 6.592 13.776 5.678 1.00 0.00 H new ATOM 0 HB THR A 22 5.860 11.816 7.809 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.144 14.467 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.630 12.975 9.176 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.291 12.227 7.703 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.017 13.985 7.763 1.00 0.00 H new ATOM 367 N GLY A 23 7.129 11.811 3.967 1.00 0.00 N ATOM 368 CA GLY A 23 8.191 11.052 3.255 1.00 0.00 C ATOM 369 C GLY A 23 7.984 9.579 2.856 1.00 0.00 C ATOM 370 O GLY A 23 8.327 9.203 1.734 1.00 0.00 O ATOM 0 H GLY A 23 6.587 12.428 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.417 11.601 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.084 11.091 3.879 1.00 0.00 H new ATOM 374 N MET A 24 7.541 8.740 3.792 1.00 0.00 N ATOM 375 CA MET A 24 7.740 7.270 3.722 1.00 0.00 C ATOM 376 C MET A 24 6.491 6.411 3.316 1.00 0.00 C ATOM 377 O MET A 24 5.401 6.658 3.840 1.00 0.00 O ATOM 378 CB MET A 24 8.383 6.790 5.055 1.00 0.00 C ATOM 379 CG MET A 24 7.544 6.917 6.332 1.00 0.00 C ATOM 380 SD MET A 24 8.528 6.437 7.763 1.00 0.00 S ATOM 381 CE MET A 24 9.242 8.031 8.206 1.00 0.00 C ATOM 0 H MET A 24 7.034 9.047 4.622 1.00 0.00 H new ATOM 0 HA MET A 24 8.413 7.096 2.882 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.659 5.742 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.307 7.349 5.203 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.195 7.943 6.448 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.659 6.285 6.260 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.883 7.912 9.079 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.832 8.410 7.371 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.443 8.736 8.436 1.00 0.00 H new ATOM 391 N PRO A 25 6.595 5.364 2.448 1.00 0.00 N ATOM 392 CA PRO A 25 5.459 4.423 2.172 1.00 0.00 C ATOM 393 C PRO A 25 5.223 3.331 3.278 1.00 0.00 C ATOM 394 O PRO A 25 6.149 2.556 3.534 1.00 0.00 O ATOM 395 CB PRO A 25 5.883 3.799 0.821 1.00 0.00 C ATOM 396 CG PRO A 25 7.419 3.856 0.817 1.00 0.00 C ATOM 397 CD PRO A 25 7.764 5.141 1.569 1.00 0.00 C ATOM 0 HA PRO A 25 4.498 4.937 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.527 2.773 0.732 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.466 4.355 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.849 2.983 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.811 3.875 -0.200 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.682 5.032 2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.914 5.976 0.885 1.00 0.00 H new ATOM 405 N PRO A 26 4.031 3.198 3.919 1.00 0.00 N ATOM 406 CA PRO A 26 3.816 2.259 5.067 1.00 0.00 C ATOM 407 C PRO A 26 4.110 0.740 4.962 1.00 0.00 C ATOM 408 O PRO A 26 4.059 0.111 3.903 1.00 0.00 O ATOM 409 CB PRO A 26 2.287 2.465 5.332 1.00 0.00 C ATOM 410 CG PRO A 26 2.085 3.966 5.078 1.00 0.00 C ATOM 411 CD PRO A 26 2.928 4.182 3.813 1.00 0.00 C ATOM 0 HA PRO A 26 4.554 2.513 5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.677 1.858 4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.014 2.189 6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.036 4.217 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.435 4.573 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.337 4.018 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.311 5.201 3.762 1.00 0.00 H new ATOM 419 N THR A 27 4.331 0.164 6.148 1.00 0.00 N ATOM 420 CA THR A 27 4.291 -1.309 6.380 1.00 0.00 C ATOM 421 C THR A 27 3.112 -1.674 7.375 1.00 0.00 C ATOM 422 O THR A 27 2.290 -0.828 7.744 1.00 0.00 O ATOM 423 CB THR A 27 5.690 -1.820 6.860 1.00 0.00 C ATOM 424 OG1 THR A 27 6.197 -1.063 7.957 1.00 0.00 O ATOM 425 CG2 THR A 27 6.750 -1.822 5.759 1.00 0.00 C ATOM 0 H THR A 27 4.546 0.699 6.989 1.00 0.00 H new ATOM 0 HA THR A 27 4.078 -1.826 5.444 1.00 0.00 H new ATOM 0 HB THR A 27 5.504 -2.848 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.070 -1.418 8.224 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.694 -2.188 6.163 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.428 -2.471 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.885 -0.808 5.382 1.00 0.00 H new ATOM 433 N ARG A 28 3.005 -2.948 7.778 1.00 0.00 N ATOM 434 CA ARG A 28 1.852 -3.480 8.557 1.00 0.00 C ATOM 435 C ARG A 28 1.420 -2.754 9.887 1.00 0.00 C ATOM 436 O ARG A 28 0.235 -2.818 10.217 1.00 0.00 O ATOM 437 CB ARG A 28 2.096 -4.986 8.867 1.00 0.00 C ATOM 438 CG ARG A 28 2.045 -5.969 7.683 1.00 0.00 C ATOM 439 CD ARG A 28 3.356 -6.191 6.914 1.00 0.00 C ATOM 440 NE ARG A 28 3.495 -5.232 5.794 1.00 0.00 N ATOM 441 CZ ARG A 28 4.152 -5.440 4.666 1.00 0.00 C ATOM 442 NH1 ARG A 28 4.764 -6.545 4.357 1.00 0.00 N ATOM 443 NH2 ARG A 28 4.184 -4.473 3.815 1.00 0.00 N ATOM 0 H ARG A 28 3.715 -3.652 7.577 1.00 0.00 H new ATOM 0 HA ARG A 28 1.011 -3.289 7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.074 -5.079 9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.355 -5.303 9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.702 -6.934 8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.293 -5.614 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.201 -6.083 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.385 -7.210 6.528 1.00 0.00 H new ATOM 0 HE ARG A 28 3.041 -4.325 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.758 -7.330 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.250 -6.626 3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.714 -3.593 4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.679 -4.588 2.931 1.00 0.00 H new ATOM 456 N ALA A 29 2.327 -2.080 10.610 1.00 0.00 N ATOM 457 CA ALA A 29 1.952 -1.217 11.763 1.00 0.00 C ATOM 458 C ALA A 29 0.967 -0.032 11.474 1.00 0.00 C ATOM 459 O ALA A 29 0.015 0.149 12.233 1.00 0.00 O ATOM 460 CB ALA A 29 3.267 -0.730 12.390 1.00 0.00 C ATOM 0 H ALA A 29 3.329 -2.110 10.424 1.00 0.00 H new ATOM 0 HA ALA A 29 1.359 -1.827 12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.048 -0.090 13.244 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.852 -1.588 12.720 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.836 -0.166 11.651 1.00 0.00 H new ATOM 466 N GLU A 30 1.155 0.737 10.386 1.00 0.00 N ATOM 467 CA GLU A 30 0.105 1.664 9.891 1.00 0.00 C ATOM 468 C GLU A 30 -1.062 0.921 9.130 1.00 0.00 C ATOM 469 O GLU A 30 -2.223 1.156 9.455 1.00 0.00 O ATOM 470 CB GLU A 30 0.622 2.813 8.986 1.00 0.00 C ATOM 471 CG GLU A 30 1.878 3.596 9.397 1.00 0.00 C ATOM 472 CD GLU A 30 3.208 3.010 8.938 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.406 1.818 8.712 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.174 3.960 8.813 1.00 0.00 O ATOM 0 H GLU A 30 2.012 0.740 9.834 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.273 2.109 10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.809 2.391 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.190 3.532 8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.795 4.610 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.894 3.675 10.484 1.00 0.00 H new ATOM 482 N ILE A 31 -0.758 0.048 8.150 1.00 0.00 N ATOM 483 CA ILE A 31 -1.792 -0.602 7.284 1.00 0.00 C ATOM 484 C ILE A 31 -2.872 -1.429 8.079 1.00 0.00 C ATOM 485 O ILE A 31 -4.063 -1.220 7.845 1.00 0.00 O ATOM 486 CB ILE A 31 -1.166 -1.437 6.100 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.101 -0.654 5.273 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.274 -1.888 5.102 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.769 -1.545 4.383 1.00 0.00 C ATOM 0 H ILE A 31 0.197 -0.232 7.928 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.333 0.232 6.836 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.680 -2.286 6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.608 0.082 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.543 -0.102 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.823 -2.462 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.003 -2.507 5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.772 -1.010 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.485 -0.928 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.306 -2.264 5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.137 -2.078 3.673 1.00 0.00 H new ATOM 501 N ALA A 32 -2.473 -2.321 9.001 1.00 0.00 N ATOM 502 CA ALA A 32 -3.432 -3.055 9.861 1.00 0.00 C ATOM 503 C ALA A 32 -4.234 -2.221 10.913 1.00 0.00 C ATOM 504 O ALA A 32 -5.443 -2.423 11.045 1.00 0.00 O ATOM 505 CB ALA A 32 -2.669 -4.221 10.509 1.00 0.00 C ATOM 0 H ALA A 32 -1.495 -2.555 9.174 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.234 -3.398 9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.345 -4.786 11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.276 -4.876 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.844 -3.830 11.105 1.00 0.00 H new ATOM 511 N GLN A 33 -3.578 -1.322 11.658 1.00 0.00 N ATOM 512 CA GLN A 33 -4.235 -0.515 12.720 1.00 0.00 C ATOM 513 C GLN A 33 -5.035 0.741 12.217 1.00 0.00 C ATOM 514 O GLN A 33 -6.146 0.959 12.700 1.00 0.00 O ATOM 515 CB GLN A 33 -3.172 -0.114 13.777 1.00 0.00 C ATOM 516 CG GLN A 33 -2.776 -1.192 14.809 1.00 0.00 C ATOM 517 CD GLN A 33 -1.999 -2.399 14.316 1.00 0.00 C ATOM 518 OE1 GLN A 33 -0.799 -2.364 14.077 1.00 0.00 O ATOM 519 NE2 GLN A 33 -2.638 -3.533 14.165 1.00 0.00 N ATOM 0 H GLN A 33 -2.583 -1.127 11.551 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.002 -1.154 13.158 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.271 0.200 13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.543 0.756 14.319 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.184 -0.709 15.586 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.689 -1.553 15.282 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.638 -3.585 14.359 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.135 -4.364 13.854 1.00 0.00 H new ATOM 528 N ARG A 34 -4.496 1.549 11.293 1.00 0.00 N ATOM 529 CA ARG A 34 -5.191 2.766 10.767 1.00 0.00 C ATOM 530 C ARG A 34 -6.434 2.509 9.854 1.00 0.00 C ATOM 531 O ARG A 34 -7.432 3.215 10.004 1.00 0.00 O ATOM 532 CB ARG A 34 -4.090 3.640 10.122 1.00 0.00 C ATOM 533 CG ARG A 34 -4.503 5.069 9.722 1.00 0.00 C ATOM 534 CD ARG A 34 -3.304 6.014 9.509 1.00 0.00 C ATOM 535 NE ARG A 34 -2.473 5.611 8.350 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.343 6.186 7.978 1.00 0.00 C ATOM 537 NH1 ARG A 34 -0.795 7.199 8.581 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.742 5.705 6.946 1.00 0.00 N ATOM 0 H ARG A 34 -3.575 1.393 10.883 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.675 3.289 11.592 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.254 3.707 10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.723 3.128 9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.090 5.026 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.150 5.483 10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.667 7.031 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.689 6.026 10.409 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.801 4.823 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.241 7.605 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.081 7.588 8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.141 4.909 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.133 6.120 6.626 1.00 0.00 H new ATOM 551 N LEU A 35 -6.403 1.514 8.952 1.00 0.00 N ATOM 552 CA LEU A 35 -7.622 1.061 8.218 1.00 0.00 C ATOM 553 C LEU A 35 -8.603 0.087 8.982 1.00 0.00 C ATOM 554 O LEU A 35 -9.754 -0.040 8.555 1.00 0.00 O ATOM 555 CB LEU A 35 -7.184 0.405 6.879 1.00 0.00 C ATOM 556 CG LEU A 35 -6.648 1.374 5.803 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.016 0.567 4.658 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.742 2.281 5.231 1.00 0.00 C ATOM 0 H LEU A 35 -5.556 1.002 8.706 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.210 1.968 8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.412 -0.334 7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.035 -0.134 6.464 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.907 2.013 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.637 1.250 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.195 -0.035 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.767 -0.087 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.311 2.942 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.519 1.669 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.176 2.878 6.033 1.00 0.00 H new ATOM 570 N GLY A 36 -8.169 -0.591 10.056 1.00 0.00 N ATOM 571 CA GLY A 36 -9.048 -1.483 10.853 1.00 0.00 C ATOM 572 C GLY A 36 -9.180 -2.930 10.351 1.00 0.00 C ATOM 573 O GLY A 36 -10.273 -3.358 9.978 1.00 0.00 O ATOM 0 H GLY A 36 -7.210 -0.542 10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.673 -1.508 11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.043 -1.040 10.889 1.00 0.00 H new ATOM 577 N PHE A 37 -8.079 -3.682 10.375 1.00 0.00 N ATOM 578 CA PHE A 37 -8.046 -5.083 9.890 1.00 0.00 C ATOM 579 C PHE A 37 -8.125 -6.135 11.049 1.00 0.00 C ATOM 580 O PHE A 37 -7.616 -5.938 12.155 1.00 0.00 O ATOM 581 CB PHE A 37 -6.717 -5.300 9.107 1.00 0.00 C ATOM 582 CG PHE A 37 -6.748 -4.839 7.647 1.00 0.00 C ATOM 583 CD1 PHE A 37 -7.213 -5.710 6.652 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.277 -3.574 7.266 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.181 -5.338 5.308 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.223 -3.211 5.919 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.671 -4.095 4.942 1.00 0.00 C ATOM 0 H PHE A 37 -7.182 -3.348 10.728 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.921 -5.233 9.258 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.917 -4.770 9.624 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.466 -6.360 9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.600 -6.679 6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.953 -2.874 8.022 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.552 -6.014 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.834 -2.244 5.635 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.623 -3.817 3.900 1.00 0.00 H new ATOM 597 N ARG A 38 -8.661 -7.316 10.714 1.00 0.00 N ATOM 598 CA ARG A 38 -8.571 -8.530 11.576 1.00 0.00 C ATOM 599 C ARG A 38 -7.145 -9.037 12.016 1.00 0.00 C ATOM 600 O ARG A 38 -7.015 -9.627 13.089 1.00 0.00 O ATOM 601 CB ARG A 38 -9.402 -9.664 10.902 1.00 0.00 C ATOM 602 CG ARG A 38 -8.838 -10.233 9.584 1.00 0.00 C ATOM 603 CD ARG A 38 -9.749 -11.291 8.951 1.00 0.00 C ATOM 604 NE ARG A 38 -9.092 -11.834 7.736 1.00 0.00 N ATOM 605 CZ ARG A 38 -9.245 -11.396 6.496 1.00 0.00 C ATOM 606 NH1 ARG A 38 -10.007 -10.398 6.156 1.00 0.00 N ATOM 607 NH2 ARG A 38 -8.578 -11.995 5.571 1.00 0.00 N ATOM 0 H ARG A 38 -9.170 -7.470 9.844 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.981 -8.221 12.538 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.502 -10.484 11.613 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.405 -9.285 10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.691 -9.417 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.858 -10.671 9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.945 -12.093 9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.713 -10.852 8.693 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.460 -12.623 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.537 -9.896 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.074 -10.118 5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.963 -12.773 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.665 -11.691 4.601 1.00 0.00 H new ATOM 620 N SER A 39 -6.116 -8.869 11.173 1.00 0.00 N ATOM 621 CA SER A 39 -4.730 -9.330 11.448 1.00 0.00 C ATOM 622 C SER A 39 -3.677 -8.637 10.501 1.00 0.00 C ATOM 623 O SER A 39 -4.051 -8.197 9.406 1.00 0.00 O ATOM 624 CB SER A 39 -4.658 -10.874 11.278 1.00 0.00 C ATOM 625 OG SER A 39 -5.231 -11.530 12.408 1.00 0.00 O ATOM 0 H SER A 39 -6.214 -8.406 10.270 1.00 0.00 H new ATOM 0 HA SER A 39 -4.480 -9.052 12.472 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.186 -11.171 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.620 -11.184 11.158 1.00 0.00 H new ATOM 0 HG SER A 39 -5.743 -10.883 12.937 1.00 0.00 H new ATOM 631 N PRO A 40 -2.351 -8.571 10.820 1.00 0.00 N ATOM 632 CA PRO A 40 -1.301 -8.147 9.820 1.00 0.00 C ATOM 633 C PRO A 40 -1.179 -8.966 8.497 1.00 0.00 C ATOM 634 O PRO A 40 -0.857 -8.381 7.463 1.00 0.00 O ATOM 635 CB PRO A 40 -0.010 -8.144 10.676 1.00 0.00 C ATOM 636 CG PRO A 40 -0.277 -9.183 11.788 1.00 0.00 C ATOM 637 CD PRO A 40 -1.771 -9.002 12.112 1.00 0.00 C ATOM 0 HA PRO A 40 -1.561 -7.184 9.380 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.861 -8.416 10.080 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.186 -7.157 11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.062 -10.196 11.448 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.347 -9.001 12.663 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.221 -9.930 12.465 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.926 -8.256 12.891 1.00 0.00 H new ATOM 645 N ASN A 41 -1.490 -10.271 8.517 1.00 0.00 N ATOM 646 CA ASN A 41 -1.675 -11.100 7.292 1.00 0.00 C ATOM 647 C ASN A 41 -2.793 -10.599 6.296 1.00 0.00 C ATOM 648 O ASN A 41 -2.536 -10.531 5.093 1.00 0.00 O ATOM 649 CB ASN A 41 -1.947 -12.574 7.696 1.00 0.00 C ATOM 650 CG ASN A 41 -0.798 -13.265 8.412 1.00 0.00 C ATOM 651 OD1 ASN A 41 -0.632 -13.148 9.619 1.00 0.00 O ATOM 652 ND2 ASN A 41 0.035 -13.995 7.717 1.00 0.00 N ATOM 0 H ASN A 41 -1.623 -10.794 9.383 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.741 -11.006 6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.826 -12.602 8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.190 -13.142 6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.815 -14.461 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.095 -14.099 6.711 1.00 0.00 H new ATOM 659 N ALA A 42 -3.977 -10.223 6.806 1.00 0.00 N ATOM 660 CA ALA A 42 -5.017 -9.519 6.010 1.00 0.00 C ATOM 661 C ALA A 42 -4.628 -8.125 5.401 1.00 0.00 C ATOM 662 O ALA A 42 -4.983 -7.844 4.255 1.00 0.00 O ATOM 663 CB ALA A 42 -6.241 -9.406 6.931 1.00 0.00 C ATOM 0 H ALA A 42 -4.247 -10.393 7.775 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.198 -10.107 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.047 -8.895 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.572 -10.403 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.974 -8.839 7.823 1.00 0.00 H new ATOM 669 N ALA A 43 -3.887 -7.292 6.144 1.00 0.00 N ATOM 670 CA ALA A 43 -3.279 -6.050 5.608 1.00 0.00 C ATOM 671 C ALA A 43 -2.187 -6.231 4.501 1.00 0.00 C ATOM 672 O ALA A 43 -2.274 -5.584 3.453 1.00 0.00 O ATOM 673 CB ALA A 43 -2.747 -5.303 6.839 1.00 0.00 C ATOM 0 H ALA A 43 -3.688 -7.452 7.131 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.039 -5.491 5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.280 -4.369 6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.572 -5.086 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.010 -5.923 7.350 1.00 0.00 H new ATOM 679 N GLU A 44 -1.186 -7.103 4.716 1.00 0.00 N ATOM 680 CA GLU A 44 -0.122 -7.368 3.710 1.00 0.00 C ATOM 681 C GLU A 44 -0.523 -8.114 2.403 1.00 0.00 C ATOM 682 O GLU A 44 0.086 -7.837 1.371 1.00 0.00 O ATOM 683 CB GLU A 44 1.125 -7.965 4.402 1.00 0.00 C ATOM 684 CG GLU A 44 1.059 -9.444 4.811 1.00 0.00 C ATOM 685 CD GLU A 44 2.218 -9.888 5.688 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.402 -9.698 5.422 1.00 0.00 O ATOM 687 OE2 GLU A 44 1.801 -10.533 6.811 1.00 0.00 O ATOM 0 H GLU A 44 -1.085 -7.641 5.577 1.00 0.00 H new ATOM 0 HA GLU A 44 0.115 -6.385 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.976 -7.837 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.330 -7.376 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.124 -9.624 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.039 -10.060 3.912 1.00 0.00 H new ATOM 695 N GLU A 45 -1.528 -9.009 2.398 1.00 0.00 N ATOM 696 CA GLU A 45 -2.054 -9.604 1.133 1.00 0.00 C ATOM 697 C GLU A 45 -2.636 -8.606 0.070 1.00 0.00 C ATOM 698 O GLU A 45 -2.352 -8.769 -1.117 1.00 0.00 O ATOM 699 CB GLU A 45 -2.991 -10.797 1.442 1.00 0.00 C ATOM 700 CG GLU A 45 -4.353 -10.469 2.078 1.00 0.00 C ATOM 701 CD GLU A 45 -5.212 -11.693 2.348 1.00 0.00 C ATOM 702 OE1 GLU A 45 -5.435 -12.145 3.466 1.00 0.00 O ATOM 703 OE2 GLU A 45 -5.725 -12.227 1.206 1.00 0.00 O ATOM 0 H GLU A 45 -1.995 -9.340 3.242 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.173 -9.976 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.172 -11.335 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.462 -11.480 2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.188 -9.938 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.898 -9.792 1.420 1.00 0.00 H new ATOM 711 N HIS A 46 -3.378 -7.567 0.489 1.00 0.00 N ATOM 712 CA HIS A 46 -3.761 -6.434 -0.404 1.00 0.00 C ATOM 713 C HIS A 46 -2.566 -5.534 -0.904 1.00 0.00 C ATOM 714 O HIS A 46 -2.532 -5.192 -2.085 1.00 0.00 O ATOM 715 CB HIS A 46 -4.811 -5.546 0.302 1.00 0.00 C ATOM 716 CG HIS A 46 -6.190 -6.178 0.489 1.00 0.00 C ATOM 717 ND1 HIS A 46 -7.032 -6.526 -0.557 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.789 -6.471 1.722 1.00 0.00 C ATOM 719 CE1 HIS A 46 -8.083 -7.028 0.161 1.00 0.00 C ATOM 720 NE2 HIS A 46 -8.030 -7.033 1.528 1.00 0.00 N ATOM 0 H HIS A 46 -3.731 -7.478 1.442 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.168 -6.903 -1.300 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.424 -5.265 1.281 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.927 -4.626 -0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.341 -6.283 2.686 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.951 -7.419 -0.349 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.715 -7.360 2.209 1.00 0.00 H new ATOM 728 N LEU A 47 -1.608 -5.197 -0.029 1.00 0.00 N ATOM 729 CA LEU A 47 -0.284 -4.610 -0.422 1.00 0.00 C ATOM 730 C LEU A 47 0.516 -5.440 -1.486 1.00 0.00 C ATOM 731 O LEU A 47 0.910 -4.887 -2.513 1.00 0.00 O ATOM 732 CB LEU A 47 0.448 -4.428 0.934 1.00 0.00 C ATOM 733 CG LEU A 47 1.782 -3.682 1.045 1.00 0.00 C ATOM 734 CD1 LEU A 47 2.968 -4.433 0.444 1.00 0.00 C ATOM 735 CD2 LEU A 47 1.723 -2.251 0.529 1.00 0.00 C ATOM 0 H LEU A 47 -1.713 -5.318 0.978 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.401 -3.668 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.250 -3.924 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.612 -5.427 1.339 1.00 0.00 H new ATOM 0 HG LEU A 47 1.959 -3.630 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.874 -3.838 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.091 -5.388 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.787 -4.610 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.702 -1.784 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.439 -2.255 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.986 -1.688 1.102 1.00 0.00 H new ATOM 747 N LYS A 48 0.718 -6.746 -1.260 1.00 0.00 N ATOM 748 CA LYS A 48 1.368 -7.668 -2.233 1.00 0.00 C ATOM 749 C LYS A 48 0.599 -7.858 -3.589 1.00 0.00 C ATOM 750 O LYS A 48 1.218 -7.716 -4.646 1.00 0.00 O ATOM 751 CB LYS A 48 1.593 -9.040 -1.539 1.00 0.00 C ATOM 752 CG LYS A 48 2.617 -9.023 -0.384 1.00 0.00 C ATOM 753 CD LYS A 48 2.558 -10.331 0.427 1.00 0.00 C ATOM 754 CE LYS A 48 3.451 -10.259 1.668 1.00 0.00 C ATOM 755 NZ LYS A 48 3.360 -11.525 2.421 1.00 0.00 N ATOM 0 H LYS A 48 0.437 -7.206 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 48 2.312 -7.203 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.638 -9.397 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.923 -9.760 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.621 -8.885 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.417 -8.175 0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.529 -10.528 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.872 -11.165 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.484 -10.073 1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.145 -9.426 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.968 -11.472 3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.375 -11.684 2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.673 -12.312 1.817 1.00 0.00 H new ATOM 768 N ALA A 49 -0.720 -8.124 -3.562 1.00 0.00 N ATOM 769 CA ALA A 49 -1.579 -8.086 -4.775 1.00 0.00 C ATOM 770 C ALA A 49 -1.562 -6.757 -5.603 1.00 0.00 C ATOM 771 O ALA A 49 -1.407 -6.812 -6.820 1.00 0.00 O ATOM 772 CB ALA A 49 -3.006 -8.437 -4.318 1.00 0.00 C ATOM 0 H ALA A 49 -1.223 -8.370 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.169 -8.807 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.677 -8.422 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.011 -9.431 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.342 -7.707 -3.582 1.00 0.00 H new ATOM 778 N LEU A 50 -1.683 -5.596 -4.950 1.00 0.00 N ATOM 779 CA LEU A 50 -1.512 -4.263 -5.602 1.00 0.00 C ATOM 780 C LEU A 50 -0.088 -3.945 -6.169 1.00 0.00 C ATOM 781 O LEU A 50 0.006 -3.357 -7.249 1.00 0.00 O ATOM 782 CB LEU A 50 -2.061 -3.259 -4.560 1.00 0.00 C ATOM 783 CG LEU A 50 -2.355 -1.803 -4.946 1.00 0.00 C ATOM 784 CD1 LEU A 50 -1.103 -0.934 -4.906 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.075 -1.637 -6.280 1.00 0.00 C ATOM 0 H LEU A 50 -1.902 -5.538 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.065 -4.212 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.988 -3.679 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.349 -3.233 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.049 -1.457 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.360 0.087 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.688 -0.940 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.365 -1.327 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.243 -0.578 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.465 -2.060 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.033 -2.155 -6.243 1.00 0.00 H new ATOM 797 N ALA A 51 0.995 -4.359 -5.493 1.00 0.00 N ATOM 798 CA ALA A 51 2.377 -4.275 -6.031 1.00 0.00 C ATOM 799 C ALA A 51 2.683 -5.104 -7.318 1.00 0.00 C ATOM 800 O ALA A 51 3.166 -4.537 -8.299 1.00 0.00 O ATOM 801 CB ALA A 51 3.309 -4.642 -4.865 1.00 0.00 C ATOM 0 H ALA A 51 0.946 -4.763 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 51 2.534 -3.260 -6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.345 -4.598 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.162 -3.938 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.081 -5.651 -4.521 1.00 0.00 H new ATOM 807 N ARG A 52 2.372 -6.408 -7.333 1.00 0.00 N ATOM 808 CA ARG A 52 2.487 -7.247 -8.561 1.00 0.00 C ATOM 809 C ARG A 52 1.462 -6.919 -9.723 1.00 0.00 C ATOM 810 O ARG A 52 1.765 -7.186 -10.885 1.00 0.00 O ATOM 811 CB ARG A 52 2.412 -8.746 -8.165 1.00 0.00 C ATOM 812 CG ARG A 52 3.690 -9.356 -7.545 1.00 0.00 C ATOM 813 CD ARG A 52 3.962 -8.962 -6.092 1.00 0.00 C ATOM 814 NE ARG A 52 5.182 -9.655 -5.616 1.00 0.00 N ATOM 815 CZ ARG A 52 5.803 -9.408 -4.475 1.00 0.00 C ATOM 816 NH1 ARG A 52 5.417 -8.521 -3.603 1.00 0.00 N ATOM 817 NH2 ARG A 52 6.862 -10.095 -4.218 1.00 0.00 N ATOM 0 H ARG A 52 2.038 -6.916 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 52 3.457 -7.001 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.594 -8.872 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.154 -9.322 -9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.620 -10.442 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.546 -9.059 -8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.089 -7.882 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.111 -9.229 -5.466 1.00 0.00 H new ATOM 0 HE ARG A 52 5.574 -10.380 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.583 -7.961 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.949 -8.386 -2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.189 -10.796 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.373 -9.938 -3.349 1.00 0.00 H new ATOM 830 N LYS A 53 0.304 -6.327 -9.411 1.00 0.00 N ATOM 831 CA LYS A 53 -0.632 -5.747 -10.415 1.00 0.00 C ATOM 832 C LYS A 53 -0.161 -4.459 -11.171 1.00 0.00 C ATOM 833 O LYS A 53 -0.611 -4.266 -12.304 1.00 0.00 O ATOM 834 CB LYS A 53 -1.947 -5.569 -9.622 1.00 0.00 C ATOM 835 CG LYS A 53 -3.196 -5.125 -10.401 1.00 0.00 C ATOM 836 CD LYS A 53 -4.430 -5.233 -9.483 1.00 0.00 C ATOM 837 CE LYS A 53 -5.724 -4.809 -10.168 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.850 -5.096 -9.257 1.00 0.00 N ATOM 0 H LYS A 53 -0.024 -6.230 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.727 -6.414 -11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.175 -6.516 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.767 -4.839 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.076 -4.099 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.329 -5.749 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.529 -6.262 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.274 -4.614 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.694 -3.747 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.850 -5.347 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.735 -4.751 -9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.918 -6.122 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.691 -4.617 -8.347 1.00 0.00 H new ATOM 851 N GLY A 54 0.707 -3.597 -10.600 1.00 0.00 N ATOM 852 CA GLY A 54 1.351 -2.515 -11.392 1.00 0.00 C ATOM 853 C GLY A 54 1.955 -1.311 -10.650 1.00 0.00 C ATOM 854 O GLY A 54 3.089 -0.927 -10.932 1.00 0.00 O ATOM 0 H GLY A 54 0.977 -3.622 -9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.145 -2.969 -11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.608 -2.132 -12.092 1.00 0.00 H new ATOM 858 N VAL A 55 1.169 -0.639 -9.804 1.00 0.00 N ATOM 859 CA VAL A 55 1.447 0.777 -9.396 1.00 0.00 C ATOM 860 C VAL A 55 2.499 1.062 -8.266 1.00 0.00 C ATOM 861 O VAL A 55 2.974 2.199 -8.200 1.00 0.00 O ATOM 862 CB VAL A 55 0.065 1.492 -9.193 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.715 1.068 -7.942 1.00 0.00 C ATOM 864 CG2 VAL A 55 0.172 3.029 -9.226 1.00 0.00 C ATOM 0 H VAL A 55 0.331 -1.036 -9.378 1.00 0.00 H new ATOM 0 HA VAL A 55 2.012 1.215 -10.219 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.507 1.148 -10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.654 1.620 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.924 -0.001 -7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.122 1.284 -7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.816 3.466 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.838 3.365 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.570 3.345 -10.190 1.00 0.00 H new ATOM 874 N ILE A 56 2.855 0.109 -7.392 1.00 0.00 N ATOM 875 CA ILE A 56 3.840 0.348 -6.281 1.00 0.00 C ATOM 876 C ILE A 56 5.136 -0.543 -6.406 1.00 0.00 C ATOM 877 O ILE A 56 5.104 -1.694 -6.847 1.00 0.00 O ATOM 878 CB ILE A 56 3.199 0.296 -4.835 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.600 -1.075 -4.490 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.190 1.449 -4.646 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.039 -1.268 -3.087 1.00 0.00 C ATOM 0 H ILE A 56 2.485 -0.841 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 56 4.165 1.380 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 56 4.007 0.439 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.801 -1.281 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.372 -1.828 -4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.760 1.396 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.701 2.404 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.396 1.362 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.651 -2.282 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.830 -1.108 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.235 -0.553 -2.915 1.00 0.00 H new ATOM 893 N GLU A 57 6.275 0.026 -6.002 1.00 0.00 N ATOM 894 CA GLU A 57 7.635 -0.481 -6.354 1.00 0.00 C ATOM 895 C GLU A 57 8.120 -1.643 -5.442 1.00 0.00 C ATOM 896 O GLU A 57 8.356 -1.449 -4.247 1.00 0.00 O ATOM 897 CB GLU A 57 8.504 0.798 -6.220 1.00 0.00 C ATOM 898 CG GLU A 57 9.978 0.723 -6.657 1.00 0.00 C ATOM 899 CD GLU A 57 10.670 2.061 -6.383 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.438 2.251 -5.446 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.278 3.033 -7.253 1.00 0.00 O ATOM 0 H GLU A 57 6.296 0.860 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 57 7.677 -0.935 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.025 1.588 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.481 1.108 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.486 -0.077 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.040 0.482 -7.718 1.00 0.00 H new ATOM 909 N ILE A 58 8.295 -2.847 -6.004 1.00 0.00 N ATOM 910 CA ILE A 58 8.608 -4.076 -5.199 1.00 0.00 C ATOM 911 C ILE A 58 10.097 -4.054 -4.683 1.00 0.00 C ATOM 912 O ILE A 58 11.032 -4.455 -5.382 1.00 0.00 O ATOM 913 CB ILE A 58 8.267 -5.377 -6.025 1.00 0.00 C ATOM 914 CG1 ILE A 58 6.765 -5.454 -6.440 1.00 0.00 C ATOM 915 CG2 ILE A 58 8.594 -6.673 -5.229 1.00 0.00 C ATOM 916 CD1 ILE A 58 6.492 -6.399 -7.614 1.00 0.00 C ATOM 0 H ILE A 58 8.229 -3.014 -7.008 1.00 0.00 H new ATOM 0 HA ILE A 58 7.976 -4.086 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 58 8.889 -5.310 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.177 -5.778 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.419 -4.454 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.344 -7.544 -5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.656 -6.692 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.011 -6.691 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.426 -6.397 -7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.051 -6.064 -8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.805 -7.409 -7.348 1.00 0.00 H new ATOM 928 N VAL A 59 10.280 -3.597 -3.439 1.00 0.00 N ATOM 929 CA VAL A 59 11.625 -3.452 -2.818 1.00 0.00 C ATOM 930 C VAL A 59 12.061 -4.737 -2.038 1.00 0.00 C ATOM 931 O VAL A 59 11.536 -5.055 -0.966 1.00 0.00 O ATOM 932 CB VAL A 59 11.724 -2.169 -1.917 1.00 0.00 C ATOM 933 CG1 VAL A 59 11.749 -0.880 -2.765 1.00 0.00 C ATOM 934 CG2 VAL A 59 10.652 -2.021 -0.826 1.00 0.00 C ATOM 0 H VAL A 59 9.513 -3.316 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 59 12.330 -3.324 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 59 12.669 -2.315 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.818 -0.013 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.611 -0.900 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.835 -0.815 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.823 -1.099 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.665 -1.988 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.706 -2.871 -0.145 1.00 0.00 H new ATOM 944 N SER A 60 13.064 -5.457 -2.555 1.00 0.00 N ATOM 945 CA SER A 60 13.642 -6.641 -1.862 1.00 0.00 C ATOM 946 C SER A 60 14.716 -6.254 -0.793 1.00 0.00 C ATOM 947 O SER A 60 15.921 -6.287 -1.062 1.00 0.00 O ATOM 948 CB SER A 60 14.193 -7.600 -2.951 1.00 0.00 C ATOM 949 OG SER A 60 15.325 -7.060 -3.639 1.00 0.00 O ATOM 0 H SER A 60 13.501 -5.249 -3.453 1.00 0.00 H new ATOM 0 HA SER A 60 12.866 -7.146 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.472 -8.547 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.404 -7.817 -3.671 1.00 0.00 H new ATOM 0 HG SER A 60 15.906 -6.597 -3.000 1.00 0.00 H new ATOM 955 N GLY A 61 14.260 -5.864 0.406 1.00 0.00 N ATOM 956 CA GLY A 61 15.162 -5.373 1.481 1.00 0.00 C ATOM 957 C GLY A 61 14.666 -4.177 2.316 1.00 0.00 C ATOM 958 O GLY A 61 14.720 -4.233 3.545 1.00 0.00 O ATOM 0 H GLY A 61 13.273 -5.876 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.362 -6.201 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.113 -5.098 1.026 1.00 0.00 H new ATOM 962 N ALA A 62 14.250 -3.082 1.666 1.00 0.00 N ATOM 963 CA ALA A 62 13.922 -1.817 2.363 1.00 0.00 C ATOM 964 C ALA A 62 12.584 -1.829 3.169 1.00 0.00 C ATOM 965 O ALA A 62 11.487 -1.895 2.604 1.00 0.00 O ATOM 966 CB ALA A 62 13.909 -0.709 1.296 1.00 0.00 C ATOM 0 H ALA A 62 14.130 -3.040 0.654 1.00 0.00 H new ATOM 0 HA ALA A 62 14.681 -1.650 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.671 0.245 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.890 -0.647 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.157 -0.940 0.541 1.00 0.00 H new ATOM 972 N SER A 63 12.696 -1.698 4.499 1.00 0.00 N ATOM 973 CA SER A 63 11.521 -1.493 5.387 1.00 0.00 C ATOM 974 C SER A 63 10.961 -0.039 5.262 1.00 0.00 C ATOM 975 O SER A 63 11.577 0.927 5.717 1.00 0.00 O ATOM 976 CB SER A 63 11.943 -1.825 6.836 1.00 0.00 C ATOM 977 OG SER A 63 12.257 -3.212 6.976 1.00 0.00 O ATOM 0 H SER A 63 13.588 -1.729 4.993 1.00 0.00 H new ATOM 0 HA SER A 63 10.710 -2.157 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.809 -1.223 7.113 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.138 -1.560 7.522 1.00 0.00 H new ATOM 0 HG SER A 63 12.523 -3.396 7.901 1.00 0.00 H new ATOM 983 N ARG A 64 9.820 0.072 4.573 1.00 0.00 N ATOM 984 CA ARG A 64 9.262 1.361 4.071 1.00 0.00 C ATOM 985 C ARG A 64 10.030 1.988 2.842 1.00 0.00 C ATOM 986 O ARG A 64 10.310 3.187 2.799 1.00 0.00 O ATOM 987 CB ARG A 64 8.898 2.388 5.178 1.00 0.00 C ATOM 988 CG ARG A 64 7.900 1.847 6.220 1.00 0.00 C ATOM 989 CD ARG A 64 7.386 2.940 7.159 1.00 0.00 C ATOM 990 NE ARG A 64 6.527 2.340 8.208 1.00 0.00 N ATOM 991 CZ ARG A 64 6.949 1.857 9.370 1.00 0.00 C ATOM 992 NH1 ARG A 64 8.191 1.839 9.752 1.00 0.00 N ATOM 993 NH2 ARG A 64 6.066 1.361 10.168 1.00 0.00 N ATOM 0 H ARG A 64 9.240 -0.734 4.338 1.00 0.00 H new ATOM 0 HA ARG A 64 8.300 1.063 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.810 2.698 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.476 3.278 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.056 1.387 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.381 1.064 6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.226 3.462 7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.821 3.681 6.594 1.00 0.00 H new ATOM 0 HE ARG A 64 5.525 2.294 8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.918 2.214 9.142 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.439 1.450 10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.083 1.350 9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.351 0.980 11.070 1.00 0.00 H new ATOM 1006 N GLY A 65 10.263 1.172 1.800 1.00 0.00 N ATOM 1007 CA GLY A 65 10.658 1.659 0.449 1.00 0.00 C ATOM 1008 C GLY A 65 9.668 1.462 -0.730 1.00 0.00 C ATOM 1009 O GLY A 65 10.036 1.775 -1.861 1.00 0.00 O ATOM 0 H GLY A 65 10.185 0.157 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.868 2.725 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.594 1.169 0.181 1.00 0.00 H new ATOM 1013 N ILE A 66 8.451 0.959 -0.493 1.00 0.00 N ATOM 1014 CA ILE A 66 7.462 0.619 -1.561 1.00 0.00 C ATOM 1015 C ILE A 66 6.710 1.853 -2.172 1.00 0.00 C ATOM 1016 O ILE A 66 5.572 2.186 -1.840 1.00 0.00 O ATOM 1017 CB ILE A 66 6.574 -0.559 -1.023 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.728 -1.178 -2.163 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.671 -0.221 0.182 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.341 -2.636 -1.935 1.00 0.00 C ATOM 0 H ILE A 66 8.107 0.769 0.448 1.00 0.00 H new ATOM 0 HA ILE A 66 7.975 0.266 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 66 7.294 -1.284 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.820 -0.588 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.287 -1.104 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.103 -1.105 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.288 0.103 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.983 0.579 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.750 -2.992 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.243 -3.241 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.753 -2.718 -1.021 1.00 0.00 H new ATOM 1032 N ARG A 67 7.394 2.527 -3.095 1.00 0.00 N ATOM 1033 CA ARG A 67 6.993 3.854 -3.636 1.00 0.00 C ATOM 1034 C ARG A 67 5.937 3.759 -4.770 1.00 0.00 C ATOM 1035 O ARG A 67 6.000 2.853 -5.604 1.00 0.00 O ATOM 1036 CB ARG A 67 8.336 4.444 -4.155 1.00 0.00 C ATOM 1037 CG ARG A 67 8.307 5.914 -4.614 1.00 0.00 C ATOM 1038 CD ARG A 67 9.654 6.353 -5.223 1.00 0.00 C ATOM 1039 NE ARG A 67 9.833 5.854 -6.613 1.00 0.00 N ATOM 1040 CZ ARG A 67 9.474 6.498 -7.718 1.00 0.00 C ATOM 1041 NH1 ARG A 67 8.887 7.658 -7.740 1.00 0.00 N ATOM 1042 NH2 ARG A 67 9.730 5.946 -8.854 1.00 0.00 N ATOM 0 H ARG A 67 8.259 2.173 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 67 6.506 4.472 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.080 4.348 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.678 3.832 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.515 6.049 -5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.066 6.555 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.715 7.441 -5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.469 5.986 -4.599 1.00 0.00 H new ATOM 0 HE ARG A 67 10.269 4.939 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.671 8.137 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.642 8.089 -8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.196 5.039 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.467 6.416 -9.720 1.00 0.00 H new ATOM 1055 N LEU A 68 5.002 4.719 -4.861 1.00 0.00 N ATOM 1056 CA LEU A 68 4.124 4.834 -6.058 1.00 0.00 C ATOM 1057 C LEU A 68 4.887 5.267 -7.353 1.00 0.00 C ATOM 1058 O LEU A 68 5.575 6.292 -7.389 1.00 0.00 O ATOM 1059 CB LEU A 68 2.842 5.649 -5.782 1.00 0.00 C ATOM 1060 CG LEU A 68 2.900 7.183 -5.684 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.474 7.741 -5.852 1.00 0.00 C ATOM 1062 CD2 LEU A 68 3.463 7.683 -4.353 1.00 0.00 C ATOM 0 H LEU A 68 4.829 5.419 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 68 3.780 3.822 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.129 5.403 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.423 5.282 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 68 3.571 7.530 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.499 8.829 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.080 7.446 -6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.833 7.343 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.476 8.773 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.837 7.326 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.478 7.307 -4.223 1.00 0.00 H new ATOM 1074 N LEU A 69 4.750 4.466 -8.411 1.00 0.00 N ATOM 1075 CA LEU A 69 5.497 4.643 -9.677 1.00 0.00 C ATOM 1076 C LEU A 69 4.805 5.736 -10.552 1.00 0.00 C ATOM 1077 O LEU A 69 3.804 5.490 -11.231 1.00 0.00 O ATOM 1078 CB LEU A 69 5.565 3.271 -10.400 1.00 0.00 C ATOM 1079 CG LEU A 69 6.429 2.189 -9.703 1.00 0.00 C ATOM 1080 CD1 LEU A 69 6.161 0.828 -10.359 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.928 2.494 -9.782 1.00 0.00 C ATOM 0 H LEU A 69 4.115 3.668 -8.423 1.00 0.00 H new ATOM 0 HA LEU A 69 6.514 4.985 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.551 2.887 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.955 3.429 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 69 6.149 2.178 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.767 0.064 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.106 0.576 -10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.420 0.877 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.487 1.705 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.234 2.546 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.131 3.449 -9.297 1.00 0.00 H new