USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 510 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= -7.52! C(o=-7.5!,f=-14!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.0169 USER MOD Set 2.1: A 28 THR OG1 : rot -136:sc= -0.232! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.32) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -30:sc= 0.481 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -2.62! C(o=-2.6!,f=-6.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0631 K(o=-0.063,f=-0.82) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0291 K(o=-0.029,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= -0.408 (180deg=-1.58) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -15.061 -13.882 3.042 1.00 0.00 N ATOM 106 CA GLU A 7 -14.006 -14.880 3.081 1.00 0.00 C ATOM 107 C GLU A 7 -12.897 -14.520 2.090 1.00 0.00 C ATOM 108 O GLU A 7 -11.715 -14.606 2.418 1.00 0.00 O ATOM 109 CB GLU A 7 -14.563 -16.277 2.796 1.00 0.00 C ATOM 110 CG GLU A 7 -15.612 -16.671 3.837 1.00 0.00 C ATOM 111 CD GLU A 7 -15.305 -18.048 4.430 1.00 0.00 C ATOM 112 OE1 GLU A 7 -14.785 -18.891 3.668 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.598 -18.225 5.633 1.00 0.00 O ATOM 0 HA GLU A 7 -13.580 -14.891 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.007 -16.300 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.751 -17.004 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.638 -15.926 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.600 -16.681 3.377 1.00 0.00 H new ATOM 120 N GLN A 8 -13.318 -14.123 0.898 1.00 0.00 N ATOM 121 CA GLN A 8 -12.376 -13.749 -0.143 1.00 0.00 C ATOM 122 C GLN A 8 -11.409 -12.682 0.375 1.00 0.00 C ATOM 123 O GLN A 8 -10.229 -12.687 0.028 1.00 0.00 O ATOM 124 CB GLN A 8 -13.107 -13.265 -1.397 1.00 0.00 C ATOM 125 CG GLN A 8 -12.614 -14.009 -2.640 1.00 0.00 C ATOM 126 CD GLN A 8 -13.520 -15.199 -2.961 1.00 0.00 C ATOM 127 OE1 GLN A 8 -14.113 -15.814 -2.090 1.00 0.00 O ATOM 128 NE2 GLN A 8 -13.592 -15.490 -4.257 1.00 0.00 N ATOM 0 H GLN A 8 -14.300 -14.052 0.630 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.799 -14.632 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.180 -13.418 -1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.950 -12.194 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.588 -13.327 -3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.594 -14.357 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.070 -14.934 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.170 -16.269 -4.573 1.00 0.00 H new ATOM 137 N ILE A 9 -11.946 -11.792 1.197 1.00 0.00 N ATOM 138 CA ILE A 9 -11.146 -10.721 1.766 1.00 0.00 C ATOM 139 C ILE A 9 -9.996 -11.324 2.575 1.00 0.00 C ATOM 140 O ILE A 9 -8.844 -10.924 2.415 1.00 0.00 O ATOM 141 CB ILE A 9 -12.028 -9.763 2.570 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.695 -8.306 2.242 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.926 -10.051 4.069 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.737 -7.704 1.298 1.00 0.00 C ATOM 0 H ILE A 9 -12.925 -11.791 1.482 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.698 -10.118 0.976 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.066 -9.929 2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.653 -7.723 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.708 -8.249 1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.562 -9.356 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.250 -11.073 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.892 -9.929 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.476 -6.668 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.759 -8.274 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.719 -7.740 1.770 1.00 0.00 H new ATOM 156 N ALA A 10 -10.349 -12.276 3.426 1.00 0.00 N ATOM 157 CA ALA A 10 -9.360 -12.938 4.260 1.00 0.00 C ATOM 158 C ALA A 10 -8.079 -13.154 3.452 1.00 0.00 C ATOM 159 O ALA A 10 -6.977 -13.035 3.985 1.00 0.00 O ATOM 160 CB ALA A 10 -9.940 -14.249 4.796 1.00 0.00 C ATOM 0 H ALA A 10 -11.306 -12.605 3.556 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.106 -12.318 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.199 -14.746 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.831 -14.038 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.204 -14.898 3.961 1.00 0.00 H new ATOM 166 N GLU A 11 -8.267 -13.468 2.178 1.00 0.00 N ATOM 167 CA GLU A 11 -7.140 -13.702 1.291 1.00 0.00 C ATOM 168 C GLU A 11 -6.389 -12.394 1.032 1.00 0.00 C ATOM 169 O GLU A 11 -5.171 -12.332 1.194 1.00 0.00 O ATOM 170 CB GLU A 11 -7.599 -14.339 -0.022 1.00 0.00 C ATOM 171 CG GLU A 11 -8.357 -15.643 0.237 1.00 0.00 C ATOM 172 CD GLU A 11 -9.029 -16.150 -1.040 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.281 -16.595 -1.937 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.276 -16.081 -1.091 1.00 0.00 O ATOM 0 H GLU A 11 -9.183 -13.566 1.739 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.459 -14.400 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.240 -13.643 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.735 -14.536 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.669 -16.399 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.109 -15.483 1.009 1.00 0.00 H new ATOM 181 N PHE A 12 -7.146 -11.382 0.634 1.00 0.00 N ATOM 182 CA PHE A 12 -6.566 -10.080 0.352 1.00 0.00 C ATOM 183 C PHE A 12 -5.612 -9.650 1.468 1.00 0.00 C ATOM 184 O PHE A 12 -4.628 -8.957 1.216 1.00 0.00 O ATOM 185 CB PHE A 12 -7.724 -9.083 0.274 1.00 0.00 C ATOM 186 CG PHE A 12 -8.415 -9.037 -1.090 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.378 -9.948 -1.395 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.067 -8.085 -1.997 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.020 -9.905 -2.661 1.00 0.00 C ATOM 190 CE2 PHE A 12 -8.709 -8.043 -3.263 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.672 -8.954 -3.568 1.00 0.00 C ATOM 0 H PHE A 12 -8.156 -11.437 0.500 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.999 -10.119 -0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.462 -9.338 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.350 -8.088 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.654 -10.704 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.303 -7.361 -1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.785 -10.628 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.433 -7.288 -3.984 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.160 -8.922 -4.531 1.00 0.00 H new ATOM 201 N LYS A 13 -5.937 -10.081 2.678 1.00 0.00 N ATOM 202 CA LYS A 13 -5.121 -9.749 3.834 1.00 0.00 C ATOM 203 C LYS A 13 -3.642 -9.837 3.452 1.00 0.00 C ATOM 204 O LYS A 13 -2.909 -8.856 3.562 1.00 0.00 O ATOM 205 CB LYS A 13 -5.501 -10.628 5.028 1.00 0.00 C ATOM 206 CG LYS A 13 -6.909 -10.297 5.526 1.00 0.00 C ATOM 207 CD LYS A 13 -7.137 -10.851 6.934 1.00 0.00 C ATOM 208 CE LYS A 13 -8.557 -10.551 7.418 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.625 -10.614 8.895 1.00 0.00 N ATOM 0 H LYS A 13 -6.754 -10.657 2.883 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.308 -8.723 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.450 -11.678 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.782 -10.482 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.053 -9.217 5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.648 -10.715 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.968 -11.928 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.414 -10.413 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.863 -9.562 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.254 -11.268 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.595 -10.408 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.353 -11.566 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.974 -9.913 9.303 1.00 0.00 H new ATOM 223 N GLU A 14 -3.248 -11.022 3.009 1.00 0.00 N ATOM 224 CA GLU A 14 -1.870 -11.251 2.609 1.00 0.00 C ATOM 225 C GLU A 14 -1.424 -10.185 1.607 1.00 0.00 C ATOM 226 O GLU A 14 -0.309 -9.673 1.695 1.00 0.00 O ATOM 227 CB GLU A 14 -1.693 -12.656 2.030 1.00 0.00 C ATOM 228 CG GLU A 14 -1.999 -13.725 3.082 1.00 0.00 C ATOM 229 CD GLU A 14 -1.126 -14.964 2.874 1.00 0.00 C ATOM 230 OE1 GLU A 14 0.100 -14.835 3.077 1.00 0.00 O ATOM 231 OE2 GLU A 14 -1.705 -16.013 2.517 1.00 0.00 O ATOM 0 H GLU A 14 -3.859 -11.834 2.918 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.238 -11.177 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.353 -12.785 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.672 -12.778 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.828 -13.319 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.051 -14.004 3.027 1.00 0.00 H new ATOM 238 N ALA A 15 -2.318 -9.882 0.677 1.00 0.00 N ATOM 239 CA ALA A 15 -2.030 -8.886 -0.341 1.00 0.00 C ATOM 240 C ALA A 15 -1.499 -7.617 0.329 1.00 0.00 C ATOM 241 O ALA A 15 -0.398 -7.163 0.021 1.00 0.00 O ATOM 242 CB ALA A 15 -3.289 -8.624 -1.170 1.00 0.00 C ATOM 0 H ALA A 15 -3.242 -10.309 0.607 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.260 -9.246 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.073 -7.877 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.609 -9.550 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.084 -8.259 -0.519 1.00 0.00 H new ATOM 248 N PHE A 16 -2.306 -7.081 1.232 1.00 0.00 N ATOM 249 CA PHE A 16 -1.931 -5.873 1.948 1.00 0.00 C ATOM 250 C PHE A 16 -0.545 -6.019 2.580 1.00 0.00 C ATOM 251 O PHE A 16 0.225 -5.060 2.624 1.00 0.00 O ATOM 252 CB PHE A 16 -2.965 -5.671 3.057 1.00 0.00 C ATOM 253 CG PHE A 16 -2.782 -4.376 3.851 1.00 0.00 C ATOM 254 CD1 PHE A 16 -2.953 -3.174 3.239 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.447 -4.428 5.168 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.783 -1.972 3.976 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.277 -3.226 5.905 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.448 -2.023 5.293 1.00 0.00 C ATOM 0 H PHE A 16 -3.218 -7.461 1.485 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.901 -5.027 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.962 -5.677 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.916 -6.516 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.218 -3.133 2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.310 -5.383 5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.920 -1.017 3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.012 -3.267 6.951 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.318 -1.109 5.853 1.00 0.00 H new ATOM 268 N SER A 17 -0.269 -7.225 3.053 1.00 0.00 N ATOM 269 CA SER A 17 1.011 -7.508 3.680 1.00 0.00 C ATOM 270 C SER A 17 2.150 -7.207 2.703 1.00 0.00 C ATOM 271 O SER A 17 3.086 -6.484 3.040 1.00 0.00 O ATOM 272 CB SER A 17 1.085 -8.962 4.150 1.00 0.00 C ATOM 273 OG SER A 17 1.988 -9.126 5.239 1.00 0.00 O ATOM 0 H SER A 17 -0.910 -8.018 3.015 1.00 0.00 H new ATOM 0 HA SER A 17 1.112 -6.866 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.092 -9.297 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.399 -9.596 3.320 1.00 0.00 H new ATOM 0 HG SER A 17 2.005 -10.067 5.511 1.00 0.00 H new ATOM 279 N LEU A 18 2.033 -7.778 1.514 1.00 0.00 N ATOM 280 CA LEU A 18 3.041 -7.581 0.486 1.00 0.00 C ATOM 281 C LEU A 18 3.562 -6.144 0.559 1.00 0.00 C ATOM 282 O LEU A 18 4.770 -5.920 0.619 1.00 0.00 O ATOM 283 CB LEU A 18 2.489 -7.966 -0.888 1.00 0.00 C ATOM 284 CG LEU A 18 3.124 -9.193 -1.546 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.235 -10.426 -1.377 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.452 -8.919 -3.015 1.00 0.00 C ATOM 0 H LEU A 18 1.255 -8.378 1.239 1.00 0.00 H new ATOM 0 HA LEU A 18 3.893 -8.239 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.418 -8.144 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.611 -7.115 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 18 4.066 -9.404 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.709 -11.284 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.096 -10.631 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.266 -10.242 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.902 -9.807 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.537 -8.669 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.151 -8.085 -3.082 1.00 0.00 H new ATOM 298 N PHE A 19 2.625 -5.207 0.551 1.00 0.00 N ATOM 299 CA PHE A 19 2.975 -3.798 0.615 1.00 0.00 C ATOM 300 C PHE A 19 3.400 -3.403 2.031 1.00 0.00 C ATOM 301 O PHE A 19 4.403 -2.715 2.213 1.00 0.00 O ATOM 302 CB PHE A 19 1.721 -3.009 0.233 1.00 0.00 C ATOM 303 CG PHE A 19 1.425 -3.001 -1.268 1.00 0.00 C ATOM 304 CD1 PHE A 19 2.013 -2.075 -2.072 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.575 -3.920 -1.799 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.738 -2.067 -3.465 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.300 -3.913 -3.192 1.00 0.00 C ATOM 308 CZ PHE A 19 0.887 -2.986 -3.996 1.00 0.00 C ATOM 0 H PHE A 19 1.624 -5.396 0.501 1.00 0.00 H new ATOM 0 HA PHE A 19 3.808 -3.590 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.865 -3.430 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.832 -1.981 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.689 -1.346 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.109 -4.656 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.205 -1.331 -4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.375 -4.643 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.678 -2.980 -5.055 1.00 0.00 H new ATOM 318 N ASP A 20 2.614 -3.855 2.998 1.00 0.00 N ATOM 319 CA ASP A 20 2.897 -3.557 4.392 1.00 0.00 C ATOM 320 C ASP A 20 3.977 -4.511 4.904 1.00 0.00 C ATOM 321 O ASP A 20 3.668 -5.577 5.435 1.00 0.00 O ATOM 322 CB ASP A 20 1.650 -3.744 5.259 1.00 0.00 C ATOM 323 CG ASP A 20 1.886 -3.625 6.766 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.997 -3.183 7.133 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.951 -3.978 7.516 1.00 0.00 O ATOM 0 H ASP A 20 1.782 -4.425 2.844 1.00 0.00 H new ATOM 0 HA ASP A 20 3.228 -2.520 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.906 -3.004 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.224 -4.725 5.050 1.00 0.00 H new ATOM 330 N LYS A 21 5.222 -4.094 4.727 1.00 0.00 N ATOM 331 CA LYS A 21 6.350 -4.899 5.165 1.00 0.00 C ATOM 332 C LYS A 21 6.256 -5.122 6.676 1.00 0.00 C ATOM 333 O LYS A 21 6.127 -6.256 7.133 1.00 0.00 O ATOM 334 CB LYS A 21 7.668 -4.263 4.718 1.00 0.00 C ATOM 335 CG LYS A 21 8.662 -5.329 4.255 1.00 0.00 C ATOM 336 CD LYS A 21 9.692 -5.630 5.346 1.00 0.00 C ATOM 337 CE LYS A 21 10.472 -4.370 5.726 1.00 0.00 C ATOM 338 NZ LYS A 21 11.911 -4.679 5.884 1.00 0.00 N ATOM 0 H LYS A 21 5.475 -3.209 4.286 1.00 0.00 H new ATOM 0 HA LYS A 21 6.322 -5.882 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.480 -3.560 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.098 -3.693 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.126 -6.242 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.171 -4.989 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.188 -6.030 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.382 -6.398 4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.340 -3.608 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.078 -3.958 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.426 -3.813 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.033 -5.390 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.287 -5.051 4.988 1.00 0.00 H new ATOM 352 N ASP A 22 6.325 -4.020 7.410 1.00 0.00 N ATOM 353 CA ASP A 22 6.249 -4.081 8.859 1.00 0.00 C ATOM 354 C ASP A 22 5.050 -4.939 9.268 1.00 0.00 C ATOM 355 O ASP A 22 5.016 -5.479 10.372 1.00 0.00 O ATOM 356 CB ASP A 22 6.059 -2.687 9.460 1.00 0.00 C ATOM 357 CG ASP A 22 6.878 -1.579 8.794 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.975 -1.907 8.293 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.388 -0.429 8.801 1.00 0.00 O ATOM 0 H ASP A 22 6.433 -3.081 7.028 1.00 0.00 H new ATOM 0 HA ASP A 22 7.182 -4.509 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.003 -2.423 9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.320 -2.725 10.518 1.00 0.00 H new ATOM 364 N GLY A 23 4.095 -5.038 8.354 1.00 0.00 N ATOM 365 CA GLY A 23 2.898 -5.822 8.605 1.00 0.00 C ATOM 366 C GLY A 23 2.182 -5.339 9.868 1.00 0.00 C ATOM 367 O GLY A 23 1.367 -6.062 10.439 1.00 0.00 O ATOM 0 H GLY A 23 4.126 -4.588 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.225 -5.749 7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.164 -6.874 8.713 1.00 0.00 H new ATOM 371 N ASP A 24 2.512 -4.120 10.268 1.00 0.00 N ATOM 372 CA ASP A 24 1.911 -3.532 11.453 1.00 0.00 C ATOM 373 C ASP A 24 0.399 -3.420 11.250 1.00 0.00 C ATOM 374 O ASP A 24 -0.365 -3.464 12.213 1.00 0.00 O ATOM 375 CB ASP A 24 2.459 -2.127 11.709 1.00 0.00 C ATOM 376 CG ASP A 24 2.536 -1.228 10.474 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.686 -1.419 9.578 1.00 0.00 O ATOM 378 OD2 ASP A 24 3.444 -0.368 10.453 1.00 0.00 O ATOM 0 H ASP A 24 3.188 -3.523 9.792 1.00 0.00 H new ATOM 0 HA ASP A 24 2.147 -4.171 12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.833 -1.640 12.456 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.457 -2.215 12.138 1.00 0.00 H new ATOM 383 N GLY A 25 0.012 -3.277 9.991 1.00 0.00 N ATOM 384 CA GLY A 25 -1.396 -3.159 9.650 1.00 0.00 C ATOM 385 C GLY A 25 -1.662 -1.877 8.857 1.00 0.00 C ATOM 386 O GLY A 25 -2.809 -1.565 8.542 1.00 0.00 O ATOM 0 H GLY A 25 0.648 -3.240 9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.706 -4.024 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.996 -3.159 10.560 1.00 0.00 H new ATOM 390 N THR A 26 -0.582 -1.171 8.557 1.00 0.00 N ATOM 391 CA THR A 26 -0.684 0.070 7.807 1.00 0.00 C ATOM 392 C THR A 26 0.413 0.141 6.742 1.00 0.00 C ATOM 393 O THR A 26 1.515 -0.366 6.946 1.00 0.00 O ATOM 394 CB THR A 26 -0.640 1.230 8.803 1.00 0.00 C ATOM 395 OG1 THR A 26 0.681 1.182 9.335 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.540 0.992 10.018 1.00 0.00 C ATOM 0 H THR A 26 0.368 -1.434 8.819 1.00 0.00 H new ATOM 0 HA THR A 26 -1.627 0.127 7.262 1.00 0.00 H new ATOM 0 HB THR A 26 -0.941 2.150 8.302 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.999 0.255 9.337 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.472 1.845 10.694 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.572 0.871 9.688 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.218 0.090 10.538 1.00 0.00 H new ATOM 404 N ILE A 27 0.073 0.775 5.630 1.00 0.00 N ATOM 405 CA ILE A 27 1.015 0.919 4.533 1.00 0.00 C ATOM 406 C ILE A 27 1.354 2.400 4.349 1.00 0.00 C ATOM 407 O ILE A 27 0.485 3.202 4.012 1.00 0.00 O ATOM 408 CB ILE A 27 0.472 0.251 3.268 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.242 -1.245 3.494 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.387 0.517 2.072 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.532 -1.862 2.327 1.00 0.00 C ATOM 0 H ILE A 27 -0.842 1.195 5.465 1.00 0.00 H new ATOM 0 HA ILE A 27 1.948 0.403 4.762 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.497 0.694 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.201 -1.751 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.310 -1.396 4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.978 0.031 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.456 1.591 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.380 0.119 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.682 -2.926 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.500 -1.370 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.034 -1.731 1.405 1.00 0.00 H new ATOM 423 N THR A 28 2.619 2.717 4.579 1.00 0.00 N ATOM 424 CA THR A 28 3.084 4.088 4.443 1.00 0.00 C ATOM 425 C THR A 28 3.528 4.360 3.005 1.00 0.00 C ATOM 426 O THR A 28 3.033 3.733 2.069 1.00 0.00 O ATOM 427 CB THR A 28 4.191 4.316 5.475 1.00 0.00 C ATOM 428 OG1 THR A 28 4.603 5.661 5.249 1.00 0.00 O ATOM 429 CG2 THR A 28 5.444 3.488 5.181 1.00 0.00 C ATOM 0 H THR A 28 3.337 2.049 4.859 1.00 0.00 H new ATOM 0 HA THR A 28 2.283 4.800 4.642 1.00 0.00 H new ATOM 0 HB THR A 28 3.818 4.070 6.469 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.582 5.710 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.198 3.687 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.190 2.428 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.837 3.759 4.201 1.00 0.00 H new ATOM 437 N THR A 29 4.456 5.296 2.873 1.00 0.00 N ATOM 438 CA THR A 29 4.972 5.659 1.564 1.00 0.00 C ATOM 439 C THR A 29 6.044 4.662 1.118 1.00 0.00 C ATOM 440 O THR A 29 5.939 4.071 0.045 1.00 0.00 O ATOM 441 CB THR A 29 5.477 7.101 1.639 1.00 0.00 C ATOM 442 OG1 THR A 29 6.102 7.185 2.917 1.00 0.00 O ATOM 443 CG2 THR A 29 4.337 8.118 1.714 1.00 0.00 C ATOM 0 H THR A 29 4.864 5.814 3.651 1.00 0.00 H new ATOM 0 HA THR A 29 4.192 5.611 0.804 1.00 0.00 H new ATOM 0 HB THR A 29 6.096 7.314 0.767 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.459 8.088 3.048 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.751 9.125 1.766 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.710 8.028 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.737 7.927 2.603 1.00 0.00 H new ATOM 451 N LYS A 30 7.051 4.507 1.965 1.00 0.00 N ATOM 452 CA LYS A 30 8.141 3.592 1.672 1.00 0.00 C ATOM 453 C LYS A 30 7.573 2.196 1.408 1.00 0.00 C ATOM 454 O LYS A 30 7.744 1.648 0.320 1.00 0.00 O ATOM 455 CB LYS A 30 9.187 3.628 2.789 1.00 0.00 C ATOM 456 CG LYS A 30 10.590 3.378 2.234 1.00 0.00 C ATOM 457 CD LYS A 30 11.661 3.908 3.190 1.00 0.00 C ATOM 458 CE LYS A 30 13.052 3.421 2.780 1.00 0.00 C ATOM 459 NZ LYS A 30 13.944 4.571 2.510 1.00 0.00 N ATOM 0 H LYS A 30 7.135 5.000 2.854 1.00 0.00 H new ATOM 0 HA LYS A 30 8.664 3.901 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.157 4.596 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.949 2.874 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.737 2.310 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.692 3.862 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.641 4.998 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.442 3.579 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.475 2.803 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.977 2.794 1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.884 4.223 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.546 5.145 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.029 5.153 3.368 1.00 0.00 H new ATOM 473 N GLU A 31 6.907 1.661 2.421 1.00 0.00 N ATOM 474 CA GLU A 31 6.313 0.340 2.312 1.00 0.00 C ATOM 475 C GLU A 31 5.563 0.203 0.985 1.00 0.00 C ATOM 476 O GLU A 31 5.392 -0.903 0.475 1.00 0.00 O ATOM 477 CB GLU A 31 5.387 0.056 3.496 1.00 0.00 C ATOM 478 CG GLU A 31 6.164 0.062 4.814 1.00 0.00 C ATOM 479 CD GLU A 31 5.256 -0.307 5.988 1.00 0.00 C ATOM 480 OE1 GLU A 31 5.079 -1.525 6.208 1.00 0.00 O ATOM 481 OE2 GLU A 31 4.759 0.637 6.639 1.00 0.00 O ATOM 0 H GLU A 31 6.766 2.119 3.321 1.00 0.00 H new ATOM 0 HA GLU A 31 7.113 -0.400 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.597 0.806 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.903 -0.911 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.993 -0.644 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.597 1.048 4.981 1.00 0.00 H new ATOM 488 N LEU A 32 5.136 1.344 0.463 1.00 0.00 N ATOM 489 CA LEU A 32 4.408 1.366 -0.795 1.00 0.00 C ATOM 490 C LEU A 32 5.405 1.361 -1.955 1.00 0.00 C ATOM 491 O LEU A 32 5.267 0.578 -2.894 1.00 0.00 O ATOM 492 CB LEU A 32 3.431 2.542 -0.828 1.00 0.00 C ATOM 493 CG LEU A 32 2.260 2.414 -1.805 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.953 2.137 -1.060 1.00 0.00 C ATOM 495 CD2 LEU A 32 2.158 3.648 -2.704 1.00 0.00 C ATOM 0 H LEU A 32 5.280 2.260 0.888 1.00 0.00 H new ATOM 0 HA LEU A 32 3.795 0.470 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.028 2.682 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.989 3.445 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 32 2.448 1.559 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.137 2.050 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.044 1.207 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.746 2.956 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.318 3.531 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.004 4.535 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.079 3.759 -3.276 1.00 0.00 H new ATOM 507 N GLY A 33 6.388 2.244 -1.853 1.00 0.00 N ATOM 508 CA GLY A 33 7.407 2.352 -2.883 1.00 0.00 C ATOM 509 C GLY A 33 8.328 1.131 -2.872 1.00 0.00 C ATOM 510 O GLY A 33 9.201 1.000 -3.729 1.00 0.00 O ATOM 0 H GLY A 33 6.500 2.891 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.933 2.446 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.994 3.257 -2.725 1.00 0.00 H new ATOM 514 N THR A 34 8.102 0.267 -1.893 1.00 0.00 N ATOM 515 CA THR A 34 8.901 -0.939 -1.760 1.00 0.00 C ATOM 516 C THR A 34 8.465 -1.984 -2.789 1.00 0.00 C ATOM 517 O THR A 34 9.222 -2.315 -3.701 1.00 0.00 O ATOM 518 CB THR A 34 8.784 -1.426 -0.314 1.00 0.00 C ATOM 519 OG1 THR A 34 9.991 -0.982 0.300 1.00 0.00 O ATOM 520 CG2 THR A 34 8.848 -2.950 -0.202 1.00 0.00 C ATOM 0 H THR A 34 7.377 0.378 -1.184 1.00 0.00 H new ATOM 0 HA THR A 34 9.952 -0.742 -1.969 1.00 0.00 H new ATOM 0 HB THR A 34 7.847 -1.070 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.998 -1.254 1.242 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.760 -3.242 0.845 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.030 -3.391 -0.772 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.799 -3.304 -0.599 1.00 0.00 H new ATOM 528 N VAL A 35 7.247 -2.473 -2.610 1.00 0.00 N ATOM 529 CA VAL A 35 6.702 -3.473 -3.512 1.00 0.00 C ATOM 530 C VAL A 35 6.884 -3.004 -4.957 1.00 0.00 C ATOM 531 O VAL A 35 6.988 -3.821 -5.870 1.00 0.00 O ATOM 532 CB VAL A 35 5.242 -3.759 -3.156 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.458 -4.221 -4.386 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.144 -4.785 -2.025 1.00 0.00 C ATOM 0 H VAL A 35 6.622 -2.195 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 35 7.239 -4.416 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 35 4.795 -2.829 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.423 -4.418 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.486 -3.443 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.906 -5.133 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.096 -4.970 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.616 -5.717 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.650 -4.400 -1.140 1.00 0.00 H new ATOM 544 N MET A 36 6.918 -1.689 -5.118 1.00 0.00 N ATOM 545 CA MET A 36 7.085 -1.101 -6.437 1.00 0.00 C ATOM 546 C MET A 36 8.444 -1.473 -7.034 1.00 0.00 C ATOM 547 O MET A 36 8.535 -1.821 -8.210 1.00 0.00 O ATOM 548 CB MET A 36 6.971 0.421 -6.335 1.00 0.00 C ATOM 549 CG MET A 36 5.567 0.837 -5.890 1.00 0.00 C ATOM 550 SD MET A 36 4.833 1.911 -7.112 1.00 0.00 S ATOM 551 CE MET A 36 3.215 1.168 -7.246 1.00 0.00 C ATOM 0 H MET A 36 6.833 -1.014 -4.358 1.00 0.00 H new ATOM 0 HA MET A 36 6.304 -1.490 -7.090 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.708 0.798 -5.626 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.199 0.872 -7.301 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.944 -0.047 -5.749 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.618 1.348 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.620 1.720 -7.974 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.316 0.132 -7.570 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.719 1.198 -6.276 1.00 0.00 H new ATOM 561 N ARG A 37 9.467 -1.386 -6.195 1.00 0.00 N ATOM 562 CA ARG A 37 10.816 -1.708 -6.626 1.00 0.00 C ATOM 563 C ARG A 37 10.873 -3.138 -7.169 1.00 0.00 C ATOM 564 O ARG A 37 11.812 -3.500 -7.877 1.00 0.00 O ATOM 565 CB ARG A 37 11.811 -1.570 -5.471 1.00 0.00 C ATOM 566 CG ARG A 37 12.285 -0.122 -5.326 1.00 0.00 C ATOM 567 CD ARG A 37 12.324 0.298 -3.856 1.00 0.00 C ATOM 568 NE ARG A 37 11.649 1.604 -3.684 1.00 0.00 N ATOM 569 CZ ARG A 37 12.220 2.785 -3.954 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.479 2.833 -4.410 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.532 3.920 -3.768 1.00 0.00 N ATOM 0 H ARG A 37 9.388 -1.097 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 37 11.089 -1.005 -7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.344 -1.898 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.668 -2.221 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.277 -0.015 -5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.618 0.540 -5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.835 -0.457 -3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.357 0.366 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 37 10.689 1.605 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.003 1.970 -4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.913 3.733 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.574 3.884 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.967 4.819 -3.974 1.00 0.00 H new ATOM 585 N SER A 38 9.856 -3.911 -6.818 1.00 0.00 N ATOM 586 CA SER A 38 9.778 -5.292 -7.262 1.00 0.00 C ATOM 587 C SER A 38 9.112 -5.363 -8.638 1.00 0.00 C ATOM 588 O SER A 38 9.048 -6.430 -9.246 1.00 0.00 O ATOM 589 CB SER A 38 9.011 -6.152 -6.256 1.00 0.00 C ATOM 590 OG SER A 38 9.148 -5.665 -4.924 1.00 0.00 O ATOM 0 H SER A 38 9.079 -3.607 -6.231 1.00 0.00 H new ATOM 0 HA SER A 38 10.792 -5.685 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.956 -6.173 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.374 -7.179 -6.306 1.00 0.00 H new ATOM 0 HG SER A 38 8.643 -6.240 -4.312 1.00 0.00 H new ATOM 596 N LEU A 39 8.633 -4.213 -9.088 1.00 0.00 N ATOM 597 CA LEU A 39 7.974 -4.131 -10.380 1.00 0.00 C ATOM 598 C LEU A 39 8.770 -3.198 -11.296 1.00 0.00 C ATOM 599 O LEU A 39 8.257 -2.733 -12.311 1.00 0.00 O ATOM 600 CB LEU A 39 6.510 -3.722 -10.210 1.00 0.00 C ATOM 601 CG LEU A 39 5.483 -4.586 -10.945 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.823 -5.584 -9.991 1.00 0.00 C ATOM 603 CD2 LEU A 39 4.452 -3.716 -11.668 1.00 0.00 C ATOM 0 H LEU A 39 8.688 -3.330 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 39 7.954 -5.110 -10.860 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.271 -3.734 -9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.399 -2.692 -10.550 1.00 0.00 H new ATOM 0 HG LEU A 39 6.006 -5.166 -11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.097 -6.186 -10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.584 -6.235 -9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.316 -5.043 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.734 -4.354 -12.182 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.929 -3.093 -10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.958 -3.080 -12.395 1.00 0.00 H new ATOM 615 N GLY A 40 10.012 -2.954 -10.903 1.00 0.00 N ATOM 616 CA GLY A 40 10.884 -2.086 -11.676 1.00 0.00 C ATOM 617 C GLY A 40 10.436 -0.627 -11.573 1.00 0.00 C ATOM 618 O GLY A 40 10.844 0.210 -12.377 1.00 0.00 O ATOM 0 H GLY A 40 10.435 -3.342 -10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.909 -2.182 -11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.881 -2.398 -12.720 1.00 0.00 H new ATOM 622 N GLN A 41 9.603 -0.366 -10.576 1.00 0.00 N ATOM 623 CA GLN A 41 9.095 0.978 -10.358 1.00 0.00 C ATOM 624 C GLN A 41 9.861 1.656 -9.220 1.00 0.00 C ATOM 625 O GLN A 41 10.774 1.067 -8.644 1.00 0.00 O ATOM 626 CB GLN A 41 7.592 0.956 -10.070 1.00 0.00 C ATOM 627 CG GLN A 41 6.791 0.731 -11.355 1.00 0.00 C ATOM 628 CD GLN A 41 5.684 1.778 -11.501 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.775 2.710 -12.283 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.638 1.572 -10.706 1.00 0.00 N ATOM 0 H GLN A 41 9.267 -1.062 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 41 9.249 1.556 -11.269 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.367 0.166 -9.354 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.292 1.898 -9.610 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.457 0.778 -12.216 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.353 -0.267 -11.345 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.627 0.771 -10.075 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.847 2.215 -10.728 1.00 0.00 H new ATOM 639 N ASN A 42 9.460 2.886 -8.931 1.00 0.00 N ATOM 640 CA ASN A 42 10.098 3.651 -7.873 1.00 0.00 C ATOM 641 C ASN A 42 9.599 5.096 -7.923 1.00 0.00 C ATOM 642 O ASN A 42 10.356 6.007 -8.257 1.00 0.00 O ATOM 643 CB ASN A 42 11.618 3.669 -8.045 1.00 0.00 C ATOM 644 CG ASN A 42 12.265 4.685 -7.102 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.774 4.969 -6.022 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.391 5.216 -7.570 1.00 0.00 N ATOM 0 H ASN A 42 8.702 3.371 -9.411 1.00 0.00 H new ATOM 0 HA ASN A 42 9.849 3.182 -6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.022 2.676 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.868 3.915 -9.077 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.899 5.906 -7.016 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.747 4.934 -8.483 1.00 0.00 H new ATOM 653 N PRO A 43 8.295 5.267 -7.578 1.00 0.00 N ATOM 654 CA PRO A 43 7.686 6.586 -7.581 1.00 0.00 C ATOM 655 C PRO A 43 8.148 7.405 -6.374 1.00 0.00 C ATOM 656 O PRO A 43 8.053 6.949 -5.236 1.00 0.00 O ATOM 657 CB PRO A 43 6.188 6.328 -7.585 1.00 0.00 C ATOM 658 CG PRO A 43 6.011 4.893 -7.117 1.00 0.00 C ATOM 659 CD PRO A 43 7.368 4.212 -7.178 1.00 0.00 C ATOM 0 HA PRO A 43 7.976 7.182 -8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.670 7.022 -6.922 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.770 6.468 -8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.617 4.869 -6.101 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.293 4.371 -7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.643 3.789 -6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.368 3.392 -7.896 1.00 0.00 H new ATOM 667 N THR A 44 8.638 8.602 -6.664 1.00 0.00 N ATOM 668 CA THR A 44 9.115 9.489 -5.617 1.00 0.00 C ATOM 669 C THR A 44 8.130 9.512 -4.447 1.00 0.00 C ATOM 670 O THR A 44 6.969 9.134 -4.601 1.00 0.00 O ATOM 671 CB THR A 44 9.354 10.867 -6.238 1.00 0.00 C ATOM 672 OG1 THR A 44 8.094 11.216 -6.803 1.00 0.00 O ATOM 673 CG2 THR A 44 10.299 10.812 -7.440 1.00 0.00 C ATOM 0 H THR A 44 8.715 8.978 -7.609 1.00 0.00 H new ATOM 0 HA THR A 44 10.058 9.137 -5.199 1.00 0.00 H new ATOM 0 HB THR A 44 9.765 11.538 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.158 12.098 -7.226 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.434 11.816 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.264 10.414 -7.126 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.873 10.167 -8.209 1.00 0.00 H new ATOM 681 N GLU A 45 8.628 9.959 -3.304 1.00 0.00 N ATOM 682 CA GLU A 45 7.806 10.037 -2.109 1.00 0.00 C ATOM 683 C GLU A 45 6.597 10.942 -2.354 1.00 0.00 C ATOM 684 O GLU A 45 5.545 10.758 -1.742 1.00 0.00 O ATOM 685 CB GLU A 45 8.623 10.526 -0.912 1.00 0.00 C ATOM 686 CG GLU A 45 9.331 9.360 -0.218 1.00 0.00 C ATOM 687 CD GLU A 45 10.123 9.845 0.998 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.565 10.680 1.742 1.00 0.00 O ATOM 689 OE2 GLU A 45 11.268 9.369 1.156 1.00 0.00 O ATOM 0 H GLU A 45 9.591 10.271 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 45 7.444 9.036 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.360 11.257 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.968 11.033 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.596 8.618 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.003 8.867 -0.921 1.00 0.00 H new ATOM 696 N ALA A 46 6.787 11.900 -3.249 1.00 0.00 N ATOM 697 CA ALA A 46 5.725 12.834 -3.582 1.00 0.00 C ATOM 698 C ALA A 46 4.598 12.085 -4.296 1.00 0.00 C ATOM 699 O ALA A 46 3.423 12.288 -3.993 1.00 0.00 O ATOM 700 CB ALA A 46 6.295 13.974 -4.429 1.00 0.00 C ATOM 0 H ALA A 46 7.661 12.050 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 46 5.306 13.277 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.499 14.675 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.071 14.492 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.722 13.568 -5.346 1.00 0.00 H new ATOM 706 N GLU A 47 4.995 11.234 -5.231 1.00 0.00 N ATOM 707 CA GLU A 47 4.033 10.453 -5.990 1.00 0.00 C ATOM 708 C GLU A 47 3.208 9.569 -5.052 1.00 0.00 C ATOM 709 O GLU A 47 1.990 9.715 -4.967 1.00 0.00 O ATOM 710 CB GLU A 47 4.732 9.614 -7.062 1.00 0.00 C ATOM 711 CG GLU A 47 3.724 8.759 -7.832 1.00 0.00 C ATOM 712 CD GLU A 47 3.230 9.487 -9.083 1.00 0.00 C ATOM 713 OE1 GLU A 47 3.910 9.353 -10.123 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.183 10.161 -8.972 1.00 0.00 O ATOM 0 H GLU A 47 5.970 11.068 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 47 3.356 11.140 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.262 10.269 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.479 8.971 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.186 7.813 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.878 8.520 -7.188 1.00 0.00 H new ATOM 721 N LEU A 48 3.906 8.671 -4.372 1.00 0.00 N ATOM 722 CA LEU A 48 3.253 7.764 -3.444 1.00 0.00 C ATOM 723 C LEU A 48 2.235 8.541 -2.608 1.00 0.00 C ATOM 724 O LEU A 48 1.048 8.217 -2.609 1.00 0.00 O ATOM 725 CB LEU A 48 4.293 7.015 -2.606 1.00 0.00 C ATOM 726 CG LEU A 48 5.323 6.199 -3.389 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.654 6.131 -2.638 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.782 4.807 -3.723 1.00 0.00 C ATOM 0 H LEU A 48 4.916 8.552 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 48 2.701 6.997 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.825 7.740 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.768 6.344 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 48 5.512 6.706 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.369 5.545 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.043 7.139 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.500 5.660 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.534 4.248 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.546 4.277 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.880 4.903 -4.327 1.00 0.00 H new ATOM 740 N GLN A 49 2.735 9.553 -1.914 1.00 0.00 N ATOM 741 CA GLN A 49 1.884 10.379 -1.076 1.00 0.00 C ATOM 742 C GLN A 49 0.536 10.619 -1.760 1.00 0.00 C ATOM 743 O GLN A 49 -0.512 10.528 -1.124 1.00 0.00 O ATOM 744 CB GLN A 49 2.569 11.704 -0.735 1.00 0.00 C ATOM 745 CG GLN A 49 2.158 12.193 0.655 1.00 0.00 C ATOM 746 CD GLN A 49 3.111 11.659 1.727 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.321 11.647 1.569 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.500 11.219 2.823 1.00 0.00 N ATOM 0 H GLN A 49 3.720 9.819 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 49 1.705 9.849 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.651 11.579 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.307 12.455 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.156 13.283 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.141 11.868 0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.483 11.258 2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.048 10.843 3.596 1.00 0.00 H new ATOM 757 N ASP A 50 0.608 10.920 -3.048 1.00 0.00 N ATOM 758 CA ASP A 50 -0.593 11.173 -3.826 1.00 0.00 C ATOM 759 C ASP A 50 -1.423 9.891 -3.905 1.00 0.00 C ATOM 760 O ASP A 50 -2.638 9.921 -3.712 1.00 0.00 O ATOM 761 CB ASP A 50 -0.245 11.600 -5.254 1.00 0.00 C ATOM 762 CG ASP A 50 -0.943 12.872 -5.736 1.00 0.00 C ATOM 763 OD1 ASP A 50 -2.128 12.759 -6.118 1.00 0.00 O ATOM 764 OD2 ASP A 50 -0.277 13.929 -5.713 1.00 0.00 O ATOM 0 H ASP A 50 1.480 10.994 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.150 11.972 -3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.833 11.748 -5.321 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.498 10.785 -5.933 1.00 0.00 H new ATOM 769 N MET A 51 -0.736 8.795 -4.190 1.00 0.00 N ATOM 770 CA MET A 51 -1.395 7.504 -4.297 1.00 0.00 C ATOM 771 C MET A 51 -2.062 7.118 -2.976 1.00 0.00 C ATOM 772 O MET A 51 -3.187 6.621 -2.966 1.00 0.00 O ATOM 773 CB MET A 51 -0.369 6.437 -4.682 1.00 0.00 C ATOM 774 CG MET A 51 0.347 6.808 -5.982 1.00 0.00 C ATOM 775 SD MET A 51 1.818 5.814 -6.175 1.00 0.00 S ATOM 776 CE MET A 51 1.630 5.309 -7.876 1.00 0.00 C ATOM 0 H MET A 51 0.271 8.774 -4.350 1.00 0.00 H new ATOM 0 HA MET A 51 -2.166 7.573 -5.065 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.361 6.323 -3.880 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.867 5.474 -4.799 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.320 6.654 -6.831 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.611 7.865 -5.972 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.470 4.677 -8.163 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.701 4.751 -7.989 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.604 6.191 -8.517 1.00 0.00 H new ATOM 786 N ILE A 52 -1.340 7.362 -1.892 1.00 0.00 N ATOM 787 CA ILE A 52 -1.848 7.046 -0.568 1.00 0.00 C ATOM 788 C ILE A 52 -3.048 7.943 -0.259 1.00 0.00 C ATOM 789 O ILE A 52 -3.942 7.554 0.492 1.00 0.00 O ATOM 790 CB ILE A 52 -0.729 7.136 0.472 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.325 6.052 0.238 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.295 7.089 1.892 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.176 5.836 1.491 1.00 0.00 C ATOM 0 H ILE A 52 -0.407 7.775 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.202 6.016 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.231 8.099 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.164 5.118 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.966 6.337 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.479 7.155 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.977 7.926 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.833 6.152 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.917 5.061 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.682 6.765 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.535 5.528 2.317 1.00 0.00 H new ATOM 805 N ASN A 53 -3.030 9.127 -0.853 1.00 0.00 N ATOM 806 CA ASN A 53 -4.105 10.083 -0.651 1.00 0.00 C ATOM 807 C ASN A 53 -5.178 9.871 -1.721 1.00 0.00 C ATOM 808 O ASN A 53 -6.116 10.659 -1.829 1.00 0.00 O ATOM 809 CB ASN A 53 -3.594 11.520 -0.772 1.00 0.00 C ATOM 810 CG ASN A 53 -2.781 11.918 0.461 1.00 0.00 C ATOM 811 OD1 ASN A 53 -2.925 11.363 1.538 1.00 0.00 O ATOM 812 ND2 ASN A 53 -1.919 12.908 0.244 1.00 0.00 N ATOM 0 H ASN A 53 -2.287 9.446 -1.475 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.511 9.928 0.349 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.977 11.616 -1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.437 12.201 -0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.329 13.246 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.849 13.329 -0.682 1.00 0.00 H new ATOM 819 N GLU A 54 -5.003 8.803 -2.486 1.00 0.00 N ATOM 820 CA GLU A 54 -5.944 8.478 -3.544 1.00 0.00 C ATOM 821 C GLU A 54 -6.937 7.417 -3.063 1.00 0.00 C ATOM 822 O GLU A 54 -7.992 7.230 -3.667 1.00 0.00 O ATOM 823 CB GLU A 54 -5.213 8.013 -4.804 1.00 0.00 C ATOM 824 CG GLU A 54 -4.536 9.189 -5.510 1.00 0.00 C ATOM 825 CD GLU A 54 -5.050 9.338 -6.944 1.00 0.00 C ATOM 826 OE1 GLU A 54 -6.156 9.899 -7.094 1.00 0.00 O ATOM 827 OE2 GLU A 54 -4.325 8.887 -7.857 1.00 0.00 O ATOM 0 H GLU A 54 -4.223 8.152 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.500 9.380 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.466 7.264 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.919 7.534 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.724 10.108 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.456 9.039 -5.521 1.00 0.00 H new ATOM 834 N VAL A 55 -6.564 6.750 -1.981 1.00 0.00 N ATOM 835 CA VAL A 55 -7.408 5.714 -1.412 1.00 0.00 C ATOM 836 C VAL A 55 -7.785 6.097 0.020 1.00 0.00 C ATOM 837 O VAL A 55 -8.923 5.895 0.442 1.00 0.00 O ATOM 838 CB VAL A 55 -6.705 4.358 -1.502 1.00 0.00 C ATOM 839 CG1 VAL A 55 -7.150 3.591 -2.749 1.00 0.00 C ATOM 840 CG2 VAL A 55 -5.184 4.526 -1.475 1.00 0.00 C ATOM 0 H VAL A 55 -5.688 6.907 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.335 5.624 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.993 3.773 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.635 2.631 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.226 3.424 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.906 4.171 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.709 3.547 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.871 5.139 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.888 5.012 -0.545 1.00 0.00 H new ATOM 850 N ASP A 56 -6.808 6.644 0.729 1.00 0.00 N ATOM 851 CA ASP A 56 -7.024 7.058 2.105 1.00 0.00 C ATOM 852 C ASP A 56 -7.886 8.322 2.124 1.00 0.00 C ATOM 853 O ASP A 56 -7.412 9.406 1.786 1.00 0.00 O ATOM 854 CB ASP A 56 -5.697 7.380 2.797 1.00 0.00 C ATOM 855 CG ASP A 56 -5.825 7.893 4.233 1.00 0.00 C ATOM 856 OD1 ASP A 56 -6.727 7.390 4.937 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.018 8.777 4.593 1.00 0.00 O ATOM 0 H ASP A 56 -5.865 6.810 0.376 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.516 6.240 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.079 6.482 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.168 8.127 2.206 1.00 0.00 H new ATOM 862 N ALA A 57 -9.136 8.141 2.523 1.00 0.00 N ATOM 863 CA ALA A 57 -10.068 9.254 2.591 1.00 0.00 C ATOM 864 C ALA A 57 -10.030 9.861 3.995 1.00 0.00 C ATOM 865 O ALA A 57 -10.658 10.888 4.248 1.00 0.00 O ATOM 866 CB ALA A 57 -11.467 8.772 2.202 1.00 0.00 C ATOM 0 H ALA A 57 -9.525 7.241 2.803 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.784 10.036 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.167 9.606 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.446 8.377 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.786 7.989 2.889 1.00 0.00 H new ATOM 872 N ASP A 58 -9.288 9.200 4.871 1.00 0.00 N ATOM 873 CA ASP A 58 -9.160 9.661 6.243 1.00 0.00 C ATOM 874 C ASP A 58 -8.075 10.738 6.315 1.00 0.00 C ATOM 875 O ASP A 58 -8.173 11.670 7.111 1.00 0.00 O ATOM 876 CB ASP A 58 -8.752 8.517 7.173 1.00 0.00 C ATOM 877 CG ASP A 58 -7.306 8.571 7.670 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.982 9.555 8.369 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.557 7.627 7.339 1.00 0.00 O ATOM 0 H ASP A 58 -8.769 8.348 4.657 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.126 10.055 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.417 8.516 8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.906 7.572 6.651 1.00 0.00 H new ATOM 884 N GLY A 59 -7.066 10.574 5.472 1.00 0.00 N ATOM 885 CA GLY A 59 -5.964 11.520 5.430 1.00 0.00 C ATOM 886 C GLY A 59 -5.042 11.342 6.639 1.00 0.00 C ATOM 887 O GLY A 59 -4.475 12.312 7.139 1.00 0.00 O ATOM 0 H GLY A 59 -6.989 9.800 4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.395 11.381 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.354 12.538 5.412 1.00 0.00 H new ATOM 891 N ASN A 60 -4.921 10.096 7.072 1.00 0.00 N ATOM 892 CA ASN A 60 -4.078 9.778 8.212 1.00 0.00 C ATOM 893 C ASN A 60 -2.609 9.845 7.788 1.00 0.00 C ATOM 894 O ASN A 60 -1.726 10.027 8.625 1.00 0.00 O ATOM 895 CB ASN A 60 -4.358 8.365 8.727 1.00 0.00 C ATOM 896 CG ASN A 60 -4.054 7.319 7.652 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.842 7.628 6.491 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.044 6.068 8.102 1.00 0.00 N ATOM 0 H ASN A 60 -5.393 9.294 6.654 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.292 10.498 9.002 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.751 8.170 9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.401 8.285 9.032 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.851 5.297 7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.230 5.879 9.087 1.00 0.00 H new ATOM 905 N GLY A 61 -2.393 9.694 6.490 1.00 0.00 N ATOM 906 CA GLY A 61 -1.047 9.735 5.945 1.00 0.00 C ATOM 907 C GLY A 61 -0.600 8.347 5.483 1.00 0.00 C ATOM 908 O GLY A 61 0.193 8.224 4.551 1.00 0.00 O ATOM 0 H GLY A 61 -3.128 9.543 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.011 10.430 5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.356 10.111 6.700 1.00 0.00 H new ATOM 912 N THR A 62 -1.129 7.335 6.156 1.00 0.00 N ATOM 913 CA THR A 62 -0.795 5.960 5.825 1.00 0.00 C ATOM 914 C THR A 62 -1.988 5.264 5.169 1.00 0.00 C ATOM 915 O THR A 62 -3.027 5.884 4.946 1.00 0.00 O ATOM 916 CB THR A 62 -0.316 5.270 7.104 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.165 5.796 8.121 1.00 0.00 O ATOM 918 CG2 THR A 62 1.086 5.716 7.521 1.00 0.00 C ATOM 0 H THR A 62 -1.786 7.440 6.929 1.00 0.00 H new ATOM 0 HA THR A 62 0.010 5.914 5.092 1.00 0.00 H new ATOM 0 HB THR A 62 -0.324 4.190 6.958 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.925 5.400 8.985 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.377 5.196 8.434 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.794 5.479 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.088 6.791 7.700 1.00 0.00 H new ATOM 926 N ILE A 63 -1.800 3.985 4.877 1.00 0.00 N ATOM 927 CA ILE A 63 -2.849 3.198 4.251 1.00 0.00 C ATOM 928 C ILE A 63 -3.147 1.973 5.117 1.00 0.00 C ATOM 929 O ILE A 63 -2.235 1.368 5.679 1.00 0.00 O ATOM 930 CB ILE A 63 -2.471 2.854 2.809 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.294 4.122 1.971 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.489 1.895 2.189 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.448 4.291 0.981 1.00 0.00 C ATOM 0 H ILE A 63 -0.937 3.474 5.062 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.771 3.775 4.186 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.510 2.340 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.243 4.991 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.349 4.075 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.197 1.667 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.522 0.974 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.475 2.360 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.297 5.200 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.482 3.432 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.389 4.362 1.527 1.00 0.00 H new ATOM 945 N ASP A 64 -4.428 1.644 5.199 1.00 0.00 N ATOM 946 CA ASP A 64 -4.859 0.502 5.987 1.00 0.00 C ATOM 947 C ASP A 64 -5.258 -0.639 5.049 1.00 0.00 C ATOM 948 O ASP A 64 -5.002 -0.577 3.848 1.00 0.00 O ATOM 949 CB ASP A 64 -6.074 0.853 6.848 1.00 0.00 C ATOM 950 CG ASP A 64 -5.875 2.041 7.792 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.752 2.588 7.788 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.852 2.375 8.497 1.00 0.00 O ATOM 0 H ASP A 64 -5.182 2.149 4.732 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.032 0.208 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.917 1.067 6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.346 -0.021 7.440 1.00 0.00 H new ATOM 957 N PHE A 65 -5.879 -1.653 5.633 1.00 0.00 N ATOM 958 CA PHE A 65 -6.316 -2.806 4.865 1.00 0.00 C ATOM 959 C PHE A 65 -7.607 -2.500 4.103 1.00 0.00 C ATOM 960 O PHE A 65 -7.740 -2.851 2.932 1.00 0.00 O ATOM 961 CB PHE A 65 -6.582 -3.934 5.863 1.00 0.00 C ATOM 962 CG PHE A 65 -7.247 -5.167 5.246 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.741 -5.716 4.110 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.345 -5.713 5.835 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.358 -6.859 3.537 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.962 -6.857 5.263 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.455 -7.406 4.126 1.00 0.00 C ATOM 0 H PHE A 65 -6.090 -1.700 6.630 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.552 -3.079 4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.638 -4.233 6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.216 -3.554 6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.869 -5.282 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.747 -5.277 6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.956 -7.294 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.833 -7.291 5.730 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.924 -8.276 3.691 1.00 0.00 H new ATOM 977 N PRO A 66 -8.551 -1.830 4.818 1.00 0.00 N ATOM 978 CA PRO A 66 -9.827 -1.473 4.222 1.00 0.00 C ATOM 979 C PRO A 66 -9.671 -0.294 3.259 1.00 0.00 C ATOM 980 O PRO A 66 -10.517 -0.081 2.392 1.00 0.00 O ATOM 981 CB PRO A 66 -10.737 -1.161 5.399 1.00 0.00 C ATOM 982 CG PRO A 66 -9.817 -0.905 6.582 1.00 0.00 C ATOM 983 CD PRO A 66 -8.429 -1.398 6.207 1.00 0.00 C ATOM 0 HA PRO A 66 -10.246 -2.274 3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.358 -0.290 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.412 -1.993 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.792 0.158 6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.181 -1.425 7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.686 -0.607 6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.113 -2.219 6.851 1.00 0.00 H new ATOM 991 N GLU A 67 -8.584 0.440 3.444 1.00 0.00 N ATOM 992 CA GLU A 67 -8.306 1.591 2.602 1.00 0.00 C ATOM 993 C GLU A 67 -7.533 1.162 1.353 1.00 0.00 C ATOM 994 O GLU A 67 -7.551 1.856 0.338 1.00 0.00 O ATOM 995 CB GLU A 67 -7.542 2.666 3.377 1.00 0.00 C ATOM 996 CG GLU A 67 -8.143 2.869 4.770 1.00 0.00 C ATOM 997 CD GLU A 67 -7.149 3.567 5.700 1.00 0.00 C ATOM 998 OE1 GLU A 67 -5.985 3.725 5.271 1.00 0.00 O ATOM 999 OE2 GLU A 67 -7.574 3.926 6.819 1.00 0.00 O ATOM 0 H GLU A 67 -7.885 0.260 4.165 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.256 2.023 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.494 2.379 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.569 3.606 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.054 3.463 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.426 1.905 5.192 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.872 0.020 1.469 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.093 -0.510 0.363 1.00 0.00 C ATOM 1008 C PHE A 68 -6.928 -1.475 -0.482 1.00 0.00 C ATOM 1009 O PHE A 68 -6.725 -1.584 -1.690 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.914 -1.272 0.970 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.459 -2.477 0.144 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.190 -3.624 0.154 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.324 -2.401 -0.602 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.769 -4.742 -0.613 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -2.903 -3.519 -1.369 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.634 -4.666 -1.358 1.00 0.00 C ATOM 0 H PHE A 68 -6.860 -0.553 2.312 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.762 0.304 -0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.074 -0.587 1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.190 -1.612 1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.091 -3.684 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.743 -1.490 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.350 -5.652 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.002 -3.459 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.313 -5.516 -1.941 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.850 -2.152 0.188 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.716 -3.104 -0.486 1.00 0.00 C ATOM 1028 C LEU A 69 -9.287 -2.461 -1.752 1.00 0.00 C ATOM 1029 O LEU A 69 -9.479 -3.135 -2.762 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.786 -3.628 0.474 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.341 -4.731 1.437 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.136 -4.672 2.743 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.431 -6.107 0.773 1.00 0.00 C ATOM 0 H LEU A 69 -8.016 -2.060 1.190 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.147 -3.979 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.161 -2.790 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.622 -4.003 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.294 -4.563 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.800 -5.466 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.978 -3.706 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.197 -4.802 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.109 -6.873 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.461 -6.300 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.787 -6.130 -0.106 1.00 0.00 H new ATOM 1045 N THR A 70 -9.542 -1.165 -1.654 1.00 0.00 N ATOM 1046 CA THR A 70 -10.087 -0.423 -2.779 1.00 0.00 C ATOM 1047 C THR A 70 -9.082 -0.387 -3.932 1.00 0.00 C ATOM 1048 O THR A 70 -9.467 -0.451 -5.098 1.00 0.00 O ATOM 1049 CB THR A 70 -10.489 0.966 -2.279 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.545 1.758 -3.462 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.392 1.626 -1.441 1.00 0.00 C ATOM 0 H THR A 70 -9.382 -0.609 -0.814 1.00 0.00 H new ATOM 0 HA THR A 70 -10.976 -0.910 -3.180 1.00 0.00 H new ATOM 0 HB THR A 70 -11.401 0.889 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.800 2.675 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.728 2.609 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.176 1.006 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.490 1.734 -2.043 1.00 0.00 H new ATOM 1059 N MET A 71 -7.813 -0.285 -3.565 1.00 0.00 N ATOM 1060 CA MET A 71 -6.750 -0.240 -4.554 1.00 0.00 C ATOM 1061 C MET A 71 -6.759 -1.496 -5.426 1.00 0.00 C ATOM 1062 O MET A 71 -6.581 -1.414 -6.641 1.00 0.00 O ATOM 1063 CB MET A 71 -5.399 -0.119 -3.846 1.00 0.00 C ATOM 1064 CG MET A 71 -4.656 1.142 -4.294 1.00 0.00 C ATOM 1065 SD MET A 71 -3.092 0.699 -5.032 1.00 0.00 S ATOM 1066 CE MET A 71 -2.131 2.143 -4.612 1.00 0.00 C ATOM 0 H MET A 71 -7.497 -0.232 -2.597 1.00 0.00 H new ATOM 0 HA MET A 71 -6.913 0.626 -5.196 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.551 -0.092 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.792 -0.999 -4.060 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.262 1.696 -5.011 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.492 1.800 -3.441 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.119 2.032 -5.000 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.593 3.028 -5.051 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.094 2.253 -3.528 1.00 0.00 H new ATOM 1076 N MET A 72 -6.968 -2.630 -4.773 1.00 0.00 N ATOM 1077 CA MET A 72 -7.002 -3.902 -5.475 1.00 0.00 C ATOM 1078 C MET A 72 -8.225 -3.991 -6.389 1.00 0.00 C ATOM 1079 O MET A 72 -8.131 -4.486 -7.512 1.00 0.00 O ATOM 1080 CB MET A 72 -7.041 -5.045 -4.458 1.00 0.00 C ATOM 1081 CG MET A 72 -5.770 -5.064 -3.606 1.00 0.00 C ATOM 1082 SD MET A 72 -4.774 -6.485 -4.028 1.00 0.00 S ATOM 1083 CE MET A 72 -3.570 -5.713 -5.096 1.00 0.00 C ATOM 0 H MET A 72 -7.115 -2.694 -3.766 1.00 0.00 H new ATOM 0 HA MET A 72 -6.105 -3.981 -6.090 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.913 -4.934 -3.814 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.148 -5.997 -4.979 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.200 -4.149 -3.768 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.032 -5.094 -2.548 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.865 -6.464 -5.452 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.077 -5.259 -5.947 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.032 -4.944 -4.542 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.345 -3.504 -5.876 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.585 -3.522 -6.633 1.00 0.00 C ATOM 1095 C ALA A 73 -10.442 -2.621 -7.861 1.00 0.00 C ATOM 1096 O ALA A 73 -10.835 -3.001 -8.963 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.742 -3.094 -5.728 1.00 0.00 C ATOM 0 H ALA A 73 -9.420 -3.094 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.803 -4.529 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.672 -3.107 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.820 -3.783 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.559 -2.086 -5.355 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.877 -1.445 -7.630 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.676 -0.487 -8.703 1.00 0.00 C ATOM 1105 C ARG A 74 -8.187 -0.364 -9.033 1.00 0.00 C ATOM 1106 O ARG A 74 -7.614 0.720 -8.935 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.223 0.890 -8.323 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.489 1.454 -7.105 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.086 2.912 -7.335 1.00 0.00 C ATOM 1110 NE ARG A 74 -9.607 3.760 -6.240 1.00 0.00 N ATOM 1111 CZ ARG A 74 -9.101 4.956 -5.909 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -8.057 5.452 -6.587 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -9.638 5.655 -4.901 1.00 0.00 N ATOM 0 H ARG A 74 -9.552 -1.134 -6.715 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.216 -0.851 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.115 1.573 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.289 0.815 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.129 1.384 -6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.601 0.855 -6.901 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.000 2.994 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.476 3.259 -8.292 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.402 3.412 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.648 4.919 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.672 6.362 -6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.432 5.277 -4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.253 6.565 -4.649 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.604 -1.489 -9.418 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.192 -1.520 -9.763 1.00 0.00 C ATOM 1129 C LYS A 75 -5.881 -0.370 -10.721 1.00 0.00 C ATOM 1130 O LYS A 75 -6.655 -0.092 -11.636 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.804 -2.897 -10.306 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.113 -3.736 -9.230 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.532 -5.205 -9.327 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.972 -5.853 -10.594 1.00 0.00 C ATOM 1135 NZ LYS A 75 -5.882 -5.624 -11.739 1.00 0.00 N ATOM 1136 OXT LYS A 75 -4.745 0.269 -10.480 1.00 0.00 O ATOM 0 H LYS A 75 -8.083 -2.386 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.578 -1.369 -8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.694 -3.416 -10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.141 -2.780 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.032 -3.655 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.364 -3.347 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.177 -5.747 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.620 -5.277 -9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.988 -5.441 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.841 -6.923 -10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.820 -6.426 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.859 -5.535 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.608 -4.750 -12.231 1.00 0.00 H new