USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 50 THR OG1 : rot -65:sc= 0.974 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.845 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc=4.89e-05 USER MOD Set 2.2: A 33 THR OG1 : rot 92:sc= 1.04 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0386) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 98:sc= -0.0837 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 27:sc= 0.0506 USER MOD Single : A 37 ASN : amide:sc= -0.0509 K(o=-0.051,f=-0.68) USER MOD Single : A 39 HIS : no HE2:sc= -7.11! C(o=-7.1!,f=-7.2!) USER MOD Single : A 41 SER OG : rot -77:sc= 0.373 USER MOD Single : A 42 GLN : amide:sc= -0.584 K(o=-0.58,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.76) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.74) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -0.848 -11.981 6.464 1.00 0.00 N ATOM 115 CA ARG A 11 -0.667 -11.915 5.024 1.00 0.00 C ATOM 116 C ARG A 11 0.152 -10.678 4.648 1.00 0.00 C ATOM 117 O ARG A 11 0.419 -9.825 5.493 1.00 0.00 O ATOM 118 CB ARG A 11 -2.014 -11.866 4.301 1.00 0.00 C ATOM 119 CG ARG A 11 -2.210 -13.102 3.421 1.00 0.00 C ATOM 120 CD ARG A 11 -3.686 -13.501 3.356 1.00 0.00 C ATOM 121 NE ARG A 11 -3.859 -14.883 3.857 1.00 0.00 N ATOM 122 CZ ARG A 11 -3.588 -15.981 3.139 1.00 0.00 C ATOM 123 NH1 ARG A 11 -3.130 -15.866 1.885 1.00 0.00 N ATOM 124 NH2 ARG A 11 -3.775 -17.195 3.675 1.00 0.00 N ATOM 0 HA ARG A 11 -0.135 -12.815 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.821 -11.804 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.069 -10.966 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.840 -12.900 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.623 -13.931 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.284 -12.812 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.046 -13.430 2.330 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.206 -15.007 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.988 -14.942 1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.924 -16.702 1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.124 -17.283 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.569 -18.031 3.128 1.00 0.00 H new ATOM 138 N LYS A 12 0.527 -10.620 3.378 1.00 0.00 N ATOM 139 CA LYS A 12 1.310 -9.502 2.880 1.00 0.00 C ATOM 140 C LYS A 12 0.722 -9.026 1.550 1.00 0.00 C ATOM 141 O LYS A 12 -0.068 -9.734 0.928 1.00 0.00 O ATOM 142 CB LYS A 12 2.791 -9.879 2.798 1.00 0.00 C ATOM 143 CG LYS A 12 3.410 -9.976 4.194 1.00 0.00 C ATOM 144 CD LYS A 12 4.656 -10.864 4.181 1.00 0.00 C ATOM 145 CE LYS A 12 4.335 -12.250 3.619 1.00 0.00 C ATOM 146 NZ LYS A 12 5.057 -13.296 4.376 1.00 0.00 N ATOM 0 H LYS A 12 0.303 -11.329 2.680 1.00 0.00 H new ATOM 0 HA LYS A 12 1.257 -8.661 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.899 -10.833 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.327 -9.135 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.673 -8.980 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.678 -10.381 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.435 -10.395 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.049 -10.960 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.261 -12.430 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.615 -12.296 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.828 -14.231 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.081 -13.132 4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.770 -13.262 5.375 1.00 0.00 H new ATOM 160 N ALA A 13 1.130 -7.829 1.154 1.00 0.00 N ATOM 161 CA ALA A 13 0.654 -7.251 -0.091 1.00 0.00 C ATOM 162 C ALA A 13 1.788 -6.462 -0.749 1.00 0.00 C ATOM 163 O ALA A 13 2.667 -5.943 -0.063 1.00 0.00 O ATOM 164 CB ALA A 13 -0.575 -6.383 0.187 1.00 0.00 C ATOM 0 H ALA A 13 1.785 -7.244 1.673 1.00 0.00 H new ATOM 0 HA ALA A 13 0.351 -8.034 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.933 -5.949 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.362 -6.996 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.308 -5.585 0.879 1.00 0.00 H new ATOM 170 N LYS A 14 1.731 -6.397 -2.071 1.00 0.00 N ATOM 171 CA LYS A 14 2.743 -5.680 -2.829 1.00 0.00 C ATOM 172 C LYS A 14 2.081 -4.535 -3.598 1.00 0.00 C ATOM 173 O LYS A 14 1.120 -4.751 -4.335 1.00 0.00 O ATOM 174 CB LYS A 14 3.529 -6.645 -3.718 1.00 0.00 C ATOM 175 CG LYS A 14 4.076 -5.929 -4.955 1.00 0.00 C ATOM 176 CD LYS A 14 4.847 -6.898 -5.854 1.00 0.00 C ATOM 177 CE LYS A 14 3.919 -7.548 -6.882 1.00 0.00 C ATOM 178 NZ LYS A 14 3.596 -8.936 -6.484 1.00 0.00 N ATOM 0 H LYS A 14 1.000 -6.829 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 14 3.476 -5.232 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.352 -7.079 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.885 -7.469 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.254 -5.484 -5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.731 -5.113 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.647 -6.365 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.317 -7.669 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.002 -6.966 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.395 -7.546 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.050 -9.396 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.477 -9.465 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.034 -8.924 -5.609 1.00 0.00 H new ATOM 192 N ALA A 15 2.622 -3.342 -3.401 1.00 0.00 N ATOM 193 CA ALA A 15 2.096 -2.162 -4.067 1.00 0.00 C ATOM 194 C ALA A 15 2.317 -2.293 -5.575 1.00 0.00 C ATOM 195 O ALA A 15 3.448 -2.458 -6.028 1.00 0.00 O ATOM 196 CB ALA A 15 2.758 -0.911 -3.487 1.00 0.00 C ATOM 0 H ALA A 15 3.419 -3.167 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 15 1.023 -2.071 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.364 -0.026 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.547 -0.850 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.836 -0.965 -3.641 1.00 0.00 H new ATOM 202 N LEU A 16 1.218 -2.214 -6.311 1.00 0.00 N ATOM 203 CA LEU A 16 1.277 -2.321 -7.759 1.00 0.00 C ATOM 204 C LEU A 16 1.952 -1.073 -8.331 1.00 0.00 C ATOM 205 O LEU A 16 2.870 -1.177 -9.143 1.00 0.00 O ATOM 206 CB LEU A 16 -0.116 -2.585 -8.334 1.00 0.00 C ATOM 207 CG LEU A 16 -0.764 -3.914 -7.939 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.264 -3.901 -8.236 1.00 0.00 C ATOM 209 CD2 LEU A 16 -0.056 -5.090 -8.614 1.00 0.00 C ATOM 0 H LEU A 16 0.281 -2.077 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 16 1.885 -3.176 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.776 -1.775 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.052 -2.544 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.650 -4.044 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.701 -4.857 -7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.740 -3.099 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.422 -3.738 -9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.536 -6.023 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.118 -4.979 -9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.991 -5.107 -8.310 1.00 0.00 H new ATOM 221 N TYR A 17 1.472 0.078 -7.884 1.00 0.00 N ATOM 222 CA TYR A 17 2.017 1.345 -8.342 1.00 0.00 C ATOM 223 C TYR A 17 2.426 2.225 -7.159 1.00 0.00 C ATOM 224 O TYR A 17 1.855 2.118 -6.075 1.00 0.00 O ATOM 225 CB TYR A 17 0.890 2.036 -9.112 1.00 0.00 C ATOM 226 CG TYR A 17 0.174 1.129 -10.114 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.811 0.265 -9.681 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.513 1.175 -11.451 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.485 -0.589 -10.625 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.161 0.322 -12.395 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.127 -0.518 -11.935 1.00 0.00 C ATOM 232 OH TYR A 17 -1.764 -1.324 -12.827 1.00 0.00 O ATOM 0 H TYR A 17 0.711 0.160 -7.209 1.00 0.00 H new ATOM 0 HA TYR A 17 2.903 1.182 -8.956 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.160 2.421 -8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.300 2.895 -9.643 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.076 0.229 -8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.284 1.851 -11.789 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.257 -1.270 -10.300 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.094 0.348 -13.444 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.406 -1.165 -13.725 1.00 0.00 H new ATOM 242 N ALA A 18 3.410 3.076 -7.408 1.00 0.00 N ATOM 243 CA ALA A 18 3.902 3.974 -6.377 1.00 0.00 C ATOM 244 C ALA A 18 2.829 5.020 -6.064 1.00 0.00 C ATOM 245 O ALA A 18 2.254 5.615 -6.973 1.00 0.00 O ATOM 246 CB ALA A 18 5.217 4.608 -6.836 1.00 0.00 C ATOM 0 H ALA A 18 3.880 3.163 -8.309 1.00 0.00 H new ATOM 0 HA ALA A 18 4.108 3.426 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.586 5.282 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.954 3.826 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.049 5.169 -7.755 1.00 0.00 H new ATOM 252 N CYS A 19 2.593 5.211 -4.774 1.00 0.00 N ATOM 253 CA CYS A 19 1.600 6.174 -4.330 1.00 0.00 C ATOM 254 C CYS A 19 2.213 7.012 -3.206 1.00 0.00 C ATOM 255 O CYS A 19 3.052 6.525 -2.450 1.00 0.00 O ATOM 256 CB CYS A 19 0.305 5.489 -3.890 1.00 0.00 C ATOM 257 SG CYS A 19 -1.136 6.520 -4.348 1.00 0.00 S ATOM 0 H CYS A 19 3.072 4.715 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 19 1.325 6.826 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.225 4.509 -4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.318 5.326 -2.812 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.651 6.078 -5.457 1.00 0.00 H new ATOM 263 N LYS A 20 1.769 8.259 -3.132 1.00 0.00 N ATOM 264 CA LYS A 20 2.263 9.169 -2.113 1.00 0.00 C ATOM 265 C LYS A 20 1.087 9.685 -1.282 1.00 0.00 C ATOM 266 O LYS A 20 0.275 10.471 -1.770 1.00 0.00 O ATOM 267 CB LYS A 20 3.102 10.280 -2.749 1.00 0.00 C ATOM 268 CG LYS A 20 4.170 10.786 -1.776 1.00 0.00 C ATOM 269 CD LYS A 20 3.614 11.894 -0.880 1.00 0.00 C ATOM 270 CE LYS A 20 4.611 13.048 -0.754 1.00 0.00 C ATOM 271 NZ LYS A 20 4.640 13.559 0.635 1.00 0.00 N ATOM 0 H LYS A 20 1.073 8.660 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 20 2.932 8.648 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.578 9.907 -3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.455 11.105 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.527 9.960 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.028 11.161 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.675 12.263 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.392 11.491 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.606 12.710 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.335 13.851 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.322 14.342 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.694 13.900 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.925 12.795 1.280 1.00 0.00 H new ATOM 350 N GLU A 26 -3.173 7.552 5.438 1.00 0.00 N ATOM 351 CA GLU A 26 -2.619 6.877 4.276 1.00 0.00 C ATOM 352 C GLU A 26 -1.117 6.652 4.460 1.00 0.00 C ATOM 353 O GLU A 26 -0.510 7.205 5.375 1.00 0.00 O ATOM 354 CB GLU A 26 -2.903 7.665 2.996 1.00 0.00 C ATOM 355 CG GLU A 26 -4.409 7.811 2.765 1.00 0.00 C ATOM 356 CD GLU A 26 -4.701 8.279 1.338 1.00 0.00 C ATOM 357 OE1 GLU A 26 -4.007 7.784 0.424 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.613 9.122 1.194 1.00 0.00 O ATOM 0 HA GLU A 26 -3.103 5.905 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.444 8.652 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.448 7.159 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.903 6.856 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.823 8.525 3.478 1.00 0.00 H new ATOM 365 N LEU A 27 -0.560 5.838 3.574 1.00 0.00 N ATOM 366 CA LEU A 27 0.859 5.533 3.627 1.00 0.00 C ATOM 367 C LEU A 27 1.492 5.836 2.267 1.00 0.00 C ATOM 368 O LEU A 27 0.789 5.968 1.267 1.00 0.00 O ATOM 369 CB LEU A 27 1.081 4.096 4.103 1.00 0.00 C ATOM 370 CG LEU A 27 0.357 3.696 5.389 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.151 2.182 5.455 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.092 4.228 6.621 1.00 0.00 C ATOM 0 H LEU A 27 -1.067 5.381 2.816 1.00 0.00 H new ATOM 0 HA LEU A 27 1.358 6.167 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.769 3.419 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.150 3.944 4.249 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.631 4.155 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.366 1.925 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.447 1.859 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.119 1.682 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.556 3.929 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.102 3.819 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.143 5.316 6.573 1.00 0.00 H new ATOM 384 N SER A 28 2.813 5.936 2.274 1.00 0.00 N ATOM 385 CA SER A 28 3.549 6.220 1.054 1.00 0.00 C ATOM 386 C SER A 28 4.588 5.126 0.802 1.00 0.00 C ATOM 387 O SER A 28 5.364 4.785 1.693 1.00 0.00 O ATOM 388 CB SER A 28 4.227 7.590 1.126 1.00 0.00 C ATOM 389 OG SER A 28 5.037 7.724 2.291 1.00 0.00 O ATOM 0 H SER A 28 3.393 5.825 3.106 1.00 0.00 H new ATOM 0 HA SER A 28 2.842 6.238 0.225 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.842 7.737 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.467 8.371 1.121 1.00 0.00 H new ATOM 0 HG SER A 28 5.349 6.840 2.576 1.00 0.00 H new ATOM 395 N PHE A 29 4.569 4.606 -0.416 1.00 0.00 N ATOM 396 CA PHE A 29 5.500 3.557 -0.797 1.00 0.00 C ATOM 397 C PHE A 29 5.703 3.527 -2.313 1.00 0.00 C ATOM 398 O PHE A 29 5.005 4.221 -3.050 1.00 0.00 O ATOM 399 CB PHE A 29 4.884 2.229 -0.351 1.00 0.00 C ATOM 400 CG PHE A 29 3.394 2.095 -0.671 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.996 1.752 -1.925 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.467 2.320 0.299 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.613 1.628 -2.223 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.084 2.196 0.001 1.00 0.00 C ATOM 405 CZ PHE A 29 0.687 1.852 -1.253 1.00 0.00 C ATOM 0 H PHE A 29 3.924 4.891 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 29 6.470 3.733 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.423 1.411 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.026 2.118 0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.732 1.574 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.783 2.593 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.297 1.356 -3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.348 2.375 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.365 1.757 -1.479 1.00 0.00 H new ATOM 415 N THR A 30 6.663 2.716 -2.733 1.00 0.00 N ATOM 416 CA THR A 30 6.967 2.587 -4.148 1.00 0.00 C ATOM 417 C THR A 30 6.545 1.209 -4.661 1.00 0.00 C ATOM 418 O THR A 30 6.632 0.219 -3.935 1.00 0.00 O ATOM 419 CB THR A 30 8.457 2.877 -4.340 1.00 0.00 C ATOM 420 OG1 THR A 30 9.106 1.929 -3.496 1.00 0.00 O ATOM 421 CG2 THR A 30 8.869 4.233 -3.763 1.00 0.00 C ATOM 0 H THR A 30 7.240 2.142 -2.118 1.00 0.00 H new ATOM 0 HA THR A 30 6.402 3.306 -4.741 1.00 0.00 H new ATOM 0 HB THR A 30 8.699 2.846 -5.402 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.077 2.045 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.935 4.389 -3.926 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.307 5.025 -4.258 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.659 4.252 -2.694 1.00 0.00 H new ATOM 429 N ALA A 31 6.097 1.188 -5.907 1.00 0.00 N ATOM 430 CA ALA A 31 5.661 -0.052 -6.526 1.00 0.00 C ATOM 431 C ALA A 31 6.651 -1.165 -6.178 1.00 0.00 C ATOM 432 O ALA A 31 7.863 -0.953 -6.204 1.00 0.00 O ATOM 433 CB ALA A 31 5.519 0.152 -8.035 1.00 0.00 C ATOM 0 H ALA A 31 6.026 2.011 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 31 4.684 -0.349 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.192 -0.779 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.783 0.932 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.481 0.448 -8.454 1.00 0.00 H new ATOM 439 N GLY A 32 6.099 -2.328 -5.863 1.00 0.00 N ATOM 440 CA GLY A 32 6.919 -3.475 -5.511 1.00 0.00 C ATOM 441 C GLY A 32 7.045 -3.613 -3.992 1.00 0.00 C ATOM 442 O GLY A 32 7.336 -4.696 -3.486 1.00 0.00 O ATOM 0 H GLY A 32 5.094 -2.501 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.480 -4.382 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.909 -3.368 -5.954 1.00 0.00 H new ATOM 446 N THR A 33 6.821 -2.501 -3.308 1.00 0.00 N ATOM 447 CA THR A 33 6.906 -2.485 -1.858 1.00 0.00 C ATOM 448 C THR A 33 5.947 -3.514 -1.256 1.00 0.00 C ATOM 449 O THR A 33 4.770 -3.553 -1.611 1.00 0.00 O ATOM 450 CB THR A 33 6.639 -1.055 -1.384 1.00 0.00 C ATOM 451 OG1 THR A 33 7.854 -0.365 -1.660 1.00 0.00 O ATOM 452 CG2 THR A 33 6.492 -0.959 0.136 1.00 0.00 C ATOM 0 H THR A 33 6.581 -1.605 -3.731 1.00 0.00 H new ATOM 0 HA THR A 33 7.900 -2.775 -1.517 1.00 0.00 H new ATOM 0 HB THR A 33 5.734 -0.678 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.806 0.038 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.304 0.077 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.658 -1.581 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.409 -1.304 0.613 1.00 0.00 H new ATOM 460 N VAL A 34 6.486 -4.322 -0.354 1.00 0.00 N ATOM 461 CA VAL A 34 5.692 -5.348 0.300 1.00 0.00 C ATOM 462 C VAL A 34 5.275 -4.856 1.688 1.00 0.00 C ATOM 463 O VAL A 34 6.087 -4.292 2.420 1.00 0.00 O ATOM 464 CB VAL A 34 6.471 -6.665 0.342 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.886 -7.615 1.389 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.506 -7.324 -1.038 1.00 0.00 C ATOM 0 H VAL A 34 7.462 -4.287 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 34 4.780 -5.543 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 34 7.497 -6.439 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.458 -8.543 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.936 -7.148 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.846 -7.832 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.065 -8.258 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.488 -7.530 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.990 -6.654 -1.749 1.00 0.00 H new ATOM 476 N PHE A 35 4.010 -5.088 2.007 1.00 0.00 N ATOM 477 CA PHE A 35 3.476 -4.676 3.294 1.00 0.00 C ATOM 478 C PHE A 35 3.322 -5.874 4.233 1.00 0.00 C ATOM 479 O PHE A 35 2.909 -6.952 3.808 1.00 0.00 O ATOM 480 CB PHE A 35 2.096 -4.069 3.031 1.00 0.00 C ATOM 481 CG PHE A 35 2.109 -2.897 2.048 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.425 -1.648 2.482 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.805 -3.104 0.738 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.437 -0.560 1.570 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.817 -2.017 -0.174 1.00 0.00 C ATOM 486 CZ PHE A 35 2.133 -0.767 0.261 1.00 0.00 C ATOM 0 H PHE A 35 3.340 -5.556 1.397 1.00 0.00 H new ATOM 0 HA PHE A 35 4.152 -3.963 3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.436 -4.846 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.672 -3.732 3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.667 -1.483 3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.554 -4.096 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.688 0.432 1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.575 -2.182 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.142 0.060 -0.433 1.00 0.00 H new ATOM 496 N ASP A 36 3.663 -5.645 5.493 1.00 0.00 N ATOM 497 CA ASP A 36 3.568 -6.692 6.496 1.00 0.00 C ATOM 498 C ASP A 36 2.174 -6.664 7.126 1.00 0.00 C ATOM 499 O ASP A 36 1.583 -5.598 7.287 1.00 0.00 O ATOM 500 CB ASP A 36 4.595 -6.482 7.610 1.00 0.00 C ATOM 501 CG ASP A 36 5.858 -7.339 7.496 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.409 -7.390 6.376 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.242 -7.923 8.533 1.00 0.00 O ATOM 0 H ASP A 36 4.005 -4.750 5.842 1.00 0.00 H new ATOM 0 HA ASP A 36 3.758 -7.647 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.887 -5.432 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.118 -6.691 8.568 1.00 0.00 H new ATOM 508 N ASN A 37 1.689 -7.850 7.465 1.00 0.00 N ATOM 509 CA ASN A 37 0.376 -7.975 8.074 1.00 0.00 C ATOM 510 C ASN A 37 -0.606 -7.048 7.353 1.00 0.00 C ATOM 511 O ASN A 37 -0.820 -5.914 7.777 1.00 0.00 O ATOM 512 CB ASN A 37 0.412 -7.570 9.548 1.00 0.00 C ATOM 513 CG ASN A 37 -0.567 -8.410 10.372 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.501 -9.003 9.857 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.303 -8.426 11.675 1.00 0.00 N ATOM 0 H ASN A 37 2.182 -8.733 7.329 1.00 0.00 H new ATOM 0 HA ASN A 37 0.065 -9.017 7.994 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.422 -7.695 9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.161 -6.514 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.899 -8.957 12.310 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.496 -7.907 12.040 1.00 0.00 H new ATOM 522 N VAL A 38 -1.176 -7.567 6.275 1.00 0.00 N ATOM 523 CA VAL A 38 -2.129 -6.800 5.491 1.00 0.00 C ATOM 524 C VAL A 38 -3.545 -7.295 5.792 1.00 0.00 C ATOM 525 O VAL A 38 -3.728 -8.417 6.263 1.00 0.00 O ATOM 526 CB VAL A 38 -1.771 -6.881 4.005 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.874 -6.266 3.141 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.422 -6.214 3.730 1.00 0.00 C ATOM 0 H VAL A 38 -0.996 -8.509 5.926 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.087 -5.746 5.764 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.685 -7.934 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.595 -6.336 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.808 -6.804 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.007 -5.219 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.191 -6.285 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.469 -5.165 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.356 -6.716 4.305 1.00 0.00 H new ATOM 538 N HIS A 39 -4.512 -6.435 5.508 1.00 0.00 N ATOM 539 CA HIS A 39 -5.906 -6.771 5.742 1.00 0.00 C ATOM 540 C HIS A 39 -6.796 -5.608 5.298 1.00 0.00 C ATOM 541 O HIS A 39 -6.331 -4.475 5.180 1.00 0.00 O ATOM 542 CB HIS A 39 -6.131 -7.165 7.203 1.00 0.00 C ATOM 543 CG HIS A 39 -5.584 -6.171 8.199 1.00 0.00 C ATOM 544 ND1 HIS A 39 -4.733 -6.532 9.229 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.775 -4.825 8.312 1.00 0.00 C ATOM 546 CE1 HIS A 39 -4.432 -5.445 9.924 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.079 -4.388 9.354 1.00 0.00 N ATOM 0 H HIS A 39 -4.357 -5.505 5.118 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.180 -7.641 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.201 -7.285 7.375 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.668 -8.135 7.382 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.395 -7.475 9.421 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.389 -4.218 7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.788 -5.403 10.790 1.00 0.00 H new ATOM 555 N PRO A 40 -8.093 -5.937 5.057 1.00 0.00 N ATOM 556 CA PRO A 40 -9.052 -4.933 4.629 1.00 0.00 C ATOM 557 C PRO A 40 -9.461 -4.032 5.795 1.00 0.00 C ATOM 558 O PRO A 40 -10.158 -4.471 6.709 1.00 0.00 O ATOM 559 CB PRO A 40 -10.216 -5.722 4.052 1.00 0.00 C ATOM 560 CG PRO A 40 -10.074 -7.134 4.598 1.00 0.00 C ATOM 561 CD PRO A 40 -8.679 -7.268 5.186 1.00 0.00 C ATOM 0 HA PRO A 40 -8.642 -4.251 3.885 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.169 -5.283 4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.187 -5.720 2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.829 -7.326 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.226 -7.867 3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.717 -7.584 6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.092 -8.013 4.648 1.00 0.00 H new ATOM 569 N SER A 41 -9.010 -2.788 5.727 1.00 0.00 N ATOM 570 CA SER A 41 -9.321 -1.821 6.766 1.00 0.00 C ATOM 571 C SER A 41 -10.837 -1.701 6.934 1.00 0.00 C ATOM 572 O SER A 41 -11.585 -2.562 6.475 1.00 0.00 O ATOM 573 CB SER A 41 -8.712 -0.454 6.446 1.00 0.00 C ATOM 574 OG SER A 41 -9.668 0.434 5.872 1.00 0.00 O ATOM 0 H SER A 41 -8.431 -2.427 4.968 1.00 0.00 H new ATOM 0 HA SER A 41 -8.886 -2.173 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.310 -0.014 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.876 -0.581 5.758 1.00 0.00 H new ATOM 0 HG SER A 41 -9.808 0.200 4.931 1.00 0.00 H new ATOM 580 N GLN A 42 -11.244 -0.627 7.593 1.00 0.00 N ATOM 581 CA GLN A 42 -12.657 -0.383 7.827 1.00 0.00 C ATOM 582 C GLN A 42 -13.272 0.358 6.638 1.00 0.00 C ATOM 583 O GLN A 42 -14.491 0.366 6.471 1.00 0.00 O ATOM 584 CB GLN A 42 -12.872 0.393 9.128 1.00 0.00 C ATOM 585 CG GLN A 42 -13.673 -0.434 10.135 1.00 0.00 C ATOM 586 CD GLN A 42 -12.746 -1.274 11.016 1.00 0.00 C ATOM 587 OE1 GLN A 42 -12.650 -1.085 12.217 1.00 0.00 O ATOM 588 NE2 GLN A 42 -12.071 -2.209 10.354 1.00 0.00 N ATOM 0 H GLN A 42 -10.620 0.085 7.973 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.159 -1.345 7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.907 0.662 9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.398 1.324 8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.273 0.228 10.760 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.367 -1.087 9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.199 -2.314 9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.426 -2.822 10.853 1.00 0.00 H new ATOM 597 N GLU A 43 -12.401 0.962 5.844 1.00 0.00 N ATOM 598 CA GLU A 43 -12.843 1.705 4.676 1.00 0.00 C ATOM 599 C GLU A 43 -13.009 0.764 3.481 1.00 0.00 C ATOM 600 O GLU A 43 -12.282 -0.221 3.356 1.00 0.00 O ATOM 601 CB GLU A 43 -11.873 2.841 4.348 1.00 0.00 C ATOM 602 CG GLU A 43 -12.534 4.205 4.560 1.00 0.00 C ATOM 603 CD GLU A 43 -12.645 4.971 3.241 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.582 5.195 2.623 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.791 5.316 2.880 1.00 0.00 O ATOM 0 H GLU A 43 -11.391 0.952 5.986 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.811 2.153 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.987 2.761 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.539 2.752 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.526 4.069 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.953 4.787 5.275 1.00 0.00 H new ATOM 612 N PRO A 44 -13.995 1.109 2.610 1.00 0.00 N ATOM 613 CA PRO A 44 -14.265 0.307 1.429 1.00 0.00 C ATOM 614 C PRO A 44 -13.194 0.528 0.358 1.00 0.00 C ATOM 615 O PRO A 44 -12.964 1.658 -0.070 1.00 0.00 O ATOM 616 CB PRO A 44 -15.653 0.728 0.976 1.00 0.00 C ATOM 617 CG PRO A 44 -15.918 2.071 1.637 1.00 0.00 C ATOM 618 CD PRO A 44 -14.875 2.268 2.725 1.00 0.00 C ATOM 0 HA PRO A 44 -14.234 -0.763 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.701 0.811 -0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.401 -0.008 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.861 2.875 0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.922 2.096 2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.325 3.198 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.336 2.318 3.711 1.00 0.00 H new ATOM 626 N GLY A 45 -12.568 -0.568 -0.042 1.00 0.00 N ATOM 627 CA GLY A 45 -11.527 -0.508 -1.054 1.00 0.00 C ATOM 628 C GLY A 45 -10.232 0.068 -0.476 1.00 0.00 C ATOM 629 O GLY A 45 -9.442 0.675 -1.197 1.00 0.00 O ATOM 0 H GLY A 45 -12.761 -1.503 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.341 -1.507 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.862 0.107 -1.889 1.00 0.00 H new ATOM 633 N TRP A 46 -10.056 -0.143 0.820 1.00 0.00 N ATOM 634 CA TRP A 46 -8.871 0.348 1.504 1.00 0.00 C ATOM 635 C TRP A 46 -8.331 -0.781 2.384 1.00 0.00 C ATOM 636 O TRP A 46 -9.091 -1.434 3.098 1.00 0.00 O ATOM 637 CB TRP A 46 -9.180 1.623 2.290 1.00 0.00 C ATOM 638 CG TRP A 46 -9.347 2.868 1.416 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.484 3.491 1.076 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.292 3.621 0.782 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.240 4.585 0.272 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.865 4.667 0.087 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.900 3.424 0.794 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.120 5.598 -0.646 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.170 4.363 0.055 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.732 5.422 -0.649 1.00 0.00 C ATOM 0 H TRP A 46 -10.714 -0.647 1.415 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.100 0.629 0.786 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.093 1.470 2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.378 1.799 3.006 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.468 3.176 1.392 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.940 5.218 -0.116 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.431 2.613 1.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.592 6.409 -1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.095 4.257 0.030 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.100 6.106 -1.196 1.00 0.00 H new ATOM 657 N LEU A 47 -7.024 -0.978 2.304 1.00 0.00 N ATOM 658 CA LEU A 47 -6.374 -2.017 3.084 1.00 0.00 C ATOM 659 C LEU A 47 -5.608 -1.375 4.243 1.00 0.00 C ATOM 660 O LEU A 47 -5.215 -0.212 4.163 1.00 0.00 O ATOM 661 CB LEU A 47 -5.503 -2.897 2.185 1.00 0.00 C ATOM 662 CG LEU A 47 -6.188 -3.472 0.944 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.194 -4.250 0.080 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.400 -4.323 1.330 1.00 0.00 C ATOM 0 H LEU A 47 -6.397 -0.435 1.710 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.116 -2.684 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.642 -2.312 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.121 -3.725 2.781 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.557 -2.641 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.707 -4.648 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.392 -3.585 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.774 -5.072 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.868 -4.719 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.078 -5.149 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.119 -3.708 1.872 1.00 0.00 H new ATOM 676 N GLU A 48 -5.419 -2.160 5.293 1.00 0.00 N ATOM 677 CA GLU A 48 -4.708 -1.683 6.466 1.00 0.00 C ATOM 678 C GLU A 48 -3.540 -2.615 6.795 1.00 0.00 C ATOM 679 O GLU A 48 -3.745 -3.717 7.303 1.00 0.00 O ATOM 680 CB GLU A 48 -5.652 -1.544 7.662 1.00 0.00 C ATOM 681 CG GLU A 48 -5.234 -0.378 8.559 1.00 0.00 C ATOM 682 CD GLU A 48 -6.457 0.349 9.121 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.375 -0.361 9.586 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.448 1.597 9.072 1.00 0.00 O ATOM 0 H GLU A 48 -5.746 -3.124 5.356 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.307 -0.694 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.671 -1.388 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.652 -2.469 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.618 -0.748 9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.621 0.321 7.990 1.00 0.00 H new ATOM 691 N GLY A 49 -2.341 -2.140 6.492 1.00 0.00 N ATOM 692 CA GLY A 49 -1.141 -2.918 6.749 1.00 0.00 C ATOM 693 C GLY A 49 -0.087 -2.077 7.473 1.00 0.00 C ATOM 694 O GLY A 49 -0.336 -0.921 7.811 1.00 0.00 O ATOM 0 H GLY A 49 -2.175 -1.226 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.391 -3.791 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.734 -3.287 5.808 1.00 0.00 H new ATOM 698 N THR A 50 1.067 -2.691 7.688 1.00 0.00 N ATOM 699 CA THR A 50 2.160 -2.013 8.365 1.00 0.00 C ATOM 700 C THR A 50 3.338 -1.815 7.410 1.00 0.00 C ATOM 701 O THR A 50 3.654 -2.701 6.617 1.00 0.00 O ATOM 702 CB THR A 50 2.518 -2.823 9.613 1.00 0.00 C ATOM 703 OG1 THR A 50 1.305 -2.864 10.360 1.00 0.00 O ATOM 704 CG2 THR A 50 3.496 -2.085 10.529 1.00 0.00 C ATOM 0 H THR A 50 1.269 -3.650 7.406 1.00 0.00 H new ATOM 0 HA THR A 50 1.869 -1.012 8.682 1.00 0.00 H new ATOM 0 HB THR A 50 2.951 -3.778 9.314 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.069 -1.958 10.650 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.717 -2.703 11.399 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.419 -1.880 9.986 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.050 -1.145 10.855 1.00 0.00 H new ATOM 712 N LEU A 51 3.957 -0.649 7.518 1.00 0.00 N ATOM 713 CA LEU A 51 5.094 -0.324 6.674 1.00 0.00 C ATOM 714 C LEU A 51 6.105 0.494 7.480 1.00 0.00 C ATOM 715 O LEU A 51 5.852 1.653 7.807 1.00 0.00 O ATOM 716 CB LEU A 51 4.628 0.367 5.391 1.00 0.00 C ATOM 717 CG LEU A 51 5.733 0.915 4.485 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.209 -0.151 3.495 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.279 2.193 3.777 1.00 0.00 C ATOM 0 H LEU A 51 3.693 0.083 8.178 1.00 0.00 H new ATOM 0 HA LEU A 51 5.602 -1.233 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.032 -0.342 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.968 1.190 5.664 1.00 0.00 H new ATOM 0 HG LEU A 51 6.587 1.179 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.994 0.264 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.600 -1.008 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.373 -0.469 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.083 2.561 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.402 1.979 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.028 2.951 4.519 1.00 0.00 H new ATOM 731 N ASN A 52 7.229 -0.141 7.778 1.00 0.00 N ATOM 732 CA ASN A 52 8.279 0.514 8.540 1.00 0.00 C ATOM 733 C ASN A 52 7.719 0.962 9.891 1.00 0.00 C ATOM 734 O ASN A 52 7.542 2.156 10.128 1.00 0.00 O ATOM 735 CB ASN A 52 8.800 1.753 7.808 1.00 0.00 C ATOM 736 CG ASN A 52 9.934 1.387 6.849 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.796 0.577 7.146 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.886 2.029 5.685 1.00 0.00 N ATOM 0 H ASN A 52 7.436 -1.102 7.506 1.00 0.00 H new ATOM 0 HA ASN A 52 9.095 -0.197 8.670 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.987 2.221 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.154 2.486 8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.599 1.855 4.977 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.136 2.695 5.501 1.00 0.00 H new ATOM 745 N GLY A 53 7.455 -0.019 10.741 1.00 0.00 N ATOM 746 CA GLY A 53 6.919 0.260 12.063 1.00 0.00 C ATOM 747 C GLY A 53 5.882 1.384 12.007 1.00 0.00 C ATOM 748 O GLY A 53 5.842 2.241 12.889 1.00 0.00 O ATOM 0 H GLY A 53 7.602 -1.008 10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.462 -0.641 12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.729 0.541 12.736 1.00 0.00 H new ATOM 752 N LYS A 54 5.069 1.344 10.962 1.00 0.00 N ATOM 753 CA LYS A 54 4.034 2.348 10.780 1.00 0.00 C ATOM 754 C LYS A 54 2.812 1.702 10.126 1.00 0.00 C ATOM 755 O LYS A 54 2.950 0.853 9.247 1.00 0.00 O ATOM 756 CB LYS A 54 4.583 3.549 10.007 1.00 0.00 C ATOM 757 CG LYS A 54 3.674 4.769 10.170 1.00 0.00 C ATOM 758 CD LYS A 54 4.156 5.932 9.302 1.00 0.00 C ATOM 759 CE LYS A 54 3.348 7.200 9.586 1.00 0.00 C ATOM 760 NZ LYS A 54 4.209 8.399 9.478 1.00 0.00 N ATOM 0 H LYS A 54 5.106 0.632 10.232 1.00 0.00 H new ATOM 0 HA LYS A 54 3.710 2.740 11.744 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.585 3.788 10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.672 3.296 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.653 4.505 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.654 5.075 11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.213 6.119 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.065 5.667 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.519 7.276 8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.914 7.146 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.645 9.250 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.985 8.332 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.603 8.458 8.517 1.00 0.00 H new ATOM 774 N THR A 55 1.642 2.130 10.579 1.00 0.00 N ATOM 775 CA THR A 55 0.396 1.603 10.048 1.00 0.00 C ATOM 776 C THR A 55 -0.447 2.731 9.450 1.00 0.00 C ATOM 777 O THR A 55 -0.408 3.863 9.932 1.00 0.00 O ATOM 778 CB THR A 55 -0.313 0.844 11.171 1.00 0.00 C ATOM 779 OG1 THR A 55 0.461 -0.342 11.331 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.694 0.335 10.753 1.00 0.00 C ATOM 0 H THR A 55 1.531 2.835 11.307 1.00 0.00 H new ATOM 0 HA THR A 55 0.577 0.906 9.230 1.00 0.00 H new ATOM 0 HB THR A 55 -0.414 1.494 12.040 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.072 -0.893 12.042 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.154 -0.196 11.586 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.323 1.179 10.470 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.591 -0.341 9.904 1.00 0.00 H new ATOM 788 N GLY A 56 -1.190 2.383 8.410 1.00 0.00 N ATOM 789 CA GLY A 56 -2.042 3.352 7.741 1.00 0.00 C ATOM 790 C GLY A 56 -2.991 2.663 6.760 1.00 0.00 C ATOM 791 O GLY A 56 -3.156 1.444 6.802 1.00 0.00 O ATOM 0 H GLY A 56 -1.220 1.444 8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.619 3.907 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.426 4.077 7.208 1.00 0.00 H new ATOM 795 N LEU A 57 -3.591 3.472 5.899 1.00 0.00 N ATOM 796 CA LEU A 57 -4.520 2.954 4.908 1.00 0.00 C ATOM 797 C LEU A 57 -3.790 2.774 3.576 1.00 0.00 C ATOM 798 O LEU A 57 -2.911 3.564 3.234 1.00 0.00 O ATOM 799 CB LEU A 57 -5.758 3.849 4.816 1.00 0.00 C ATOM 800 CG LEU A 57 -6.591 3.976 6.093 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.825 4.849 5.857 1.00 0.00 C ATOM 802 CD2 LEU A 57 -6.960 2.598 6.646 1.00 0.00 C ATOM 0 H LEU A 57 -3.452 4.482 5.867 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.887 1.972 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.439 4.846 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.401 3.466 4.023 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.984 4.474 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.400 4.923 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.512 5.845 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.444 4.402 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.552 2.717 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.541 2.051 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.051 2.043 6.876 1.00 0.00 H new ATOM 814 N ILE A 58 -4.182 1.731 2.859 1.00 0.00 N ATOM 815 CA ILE A 58 -3.575 1.438 1.572 1.00 0.00 C ATOM 816 C ILE A 58 -4.677 1.177 0.542 1.00 0.00 C ATOM 817 O ILE A 58 -5.680 0.535 0.850 1.00 0.00 O ATOM 818 CB ILE A 58 -2.571 0.291 1.701 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.484 0.628 2.724 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.982 -0.078 0.339 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.054 -0.620 3.498 1.00 0.00 C ATOM 0 H ILE A 58 -4.912 1.079 3.145 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.001 2.294 1.218 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.100 -0.587 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.622 1.060 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.855 1.382 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.271 -0.896 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.783 -0.389 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.471 0.787 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.281 -0.353 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.913 -1.035 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.661 -1.362 2.803 1.00 0.00 H new ATOM 833 N PRO A 59 -4.446 1.701 -0.691 1.00 0.00 N ATOM 834 CA PRO A 59 -5.407 1.531 -1.768 1.00 0.00 C ATOM 835 C PRO A 59 -5.359 0.108 -2.327 1.00 0.00 C ATOM 836 O PRO A 59 -4.367 -0.291 -2.935 1.00 0.00 O ATOM 837 CB PRO A 59 -5.034 2.586 -2.798 1.00 0.00 C ATOM 838 CG PRO A 59 -3.605 2.995 -2.477 1.00 0.00 C ATOM 839 CD PRO A 59 -3.269 2.466 -1.092 1.00 0.00 C ATOM 0 HA PRO A 59 -6.437 1.662 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.108 2.187 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.707 3.442 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.916 2.589 -3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.503 4.080 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.378 1.839 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.070 3.280 -0.395 1.00 0.00 H new ATOM 847 N GLU A 60 -6.443 -0.619 -2.100 1.00 0.00 N ATOM 848 CA GLU A 60 -6.537 -1.990 -2.572 1.00 0.00 C ATOM 849 C GLU A 60 -6.336 -2.044 -4.088 1.00 0.00 C ATOM 850 O GLU A 60 -5.973 -3.085 -4.633 1.00 0.00 O ATOM 851 CB GLU A 60 -7.875 -2.617 -2.174 1.00 0.00 C ATOM 852 CG GLU A 60 -8.253 -3.754 -3.125 1.00 0.00 C ATOM 853 CD GLU A 60 -9.273 -4.693 -2.479 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.855 -5.450 -1.576 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.448 -4.633 -2.902 1.00 0.00 O ATOM 0 H GLU A 60 -7.264 -0.284 -1.595 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.746 -2.571 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.814 -2.997 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.655 -1.855 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.666 -3.341 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.360 -4.315 -3.400 1.00 0.00 H new ATOM 862 N ASN A 61 -6.582 -0.909 -4.726 1.00 0.00 N ATOM 863 CA ASN A 61 -6.432 -0.814 -6.168 1.00 0.00 C ATOM 864 C ASN A 61 -4.996 -0.407 -6.502 1.00 0.00 C ATOM 865 O ASN A 61 -4.721 0.068 -7.603 1.00 0.00 O ATOM 866 CB ASN A 61 -7.371 0.245 -6.751 1.00 0.00 C ATOM 867 CG ASN A 61 -6.907 1.654 -6.377 1.00 0.00 C ATOM 868 OD1 ASN A 61 -6.044 2.240 -7.010 1.00 0.00 O ATOM 869 ND2 ASN A 61 -7.526 2.164 -5.316 1.00 0.00 N ATOM 0 H ASN A 61 -6.884 -0.048 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.674 -1.787 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.408 0.146 -7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.383 0.082 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.287 3.099 -4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.240 1.620 -4.831 1.00 0.00 H new ATOM 876 N TYR A 62 -4.117 -0.607 -5.531 1.00 0.00 N ATOM 877 CA TYR A 62 -2.716 -0.266 -5.708 1.00 0.00 C ATOM 878 C TYR A 62 -1.811 -1.306 -5.044 1.00 0.00 C ATOM 879 O TYR A 62 -0.614 -1.078 -4.878 1.00 0.00 O ATOM 880 CB TYR A 62 -2.518 1.082 -5.013 1.00 0.00 C ATOM 881 CG TYR A 62 -2.054 2.201 -5.947 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.801 2.525 -7.060 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.887 2.887 -5.675 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.364 3.579 -7.939 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.450 3.941 -6.554 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.210 4.234 -7.643 1.00 0.00 C ATOM 887 OH TYR A 62 -0.797 5.229 -8.473 1.00 0.00 O ATOM 0 H TYR A 62 -4.348 -1.001 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.461 -0.231 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.456 1.379 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.787 0.963 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.714 1.988 -7.273 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.302 2.633 -4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.940 3.843 -8.814 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.460 4.486 -6.353 1.00 0.00 H new ATOM 0 HH TYR A 62 0.042 5.608 -8.137 1.00 0.00 H new ATOM 897 N VAL A 63 -2.418 -2.427 -4.681 1.00 0.00 N ATOM 898 CA VAL A 63 -1.682 -3.503 -4.039 1.00 0.00 C ATOM 899 C VAL A 63 -2.002 -4.824 -4.741 1.00 0.00 C ATOM 900 O VAL A 63 -2.921 -4.891 -5.556 1.00 0.00 O ATOM 901 CB VAL A 63 -1.995 -3.530 -2.541 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.427 -2.295 -1.840 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.501 -3.654 -2.299 1.00 0.00 C ATOM 0 H VAL A 63 -3.411 -2.613 -4.819 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.608 -3.339 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.513 -4.409 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.663 -2.339 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.345 -2.268 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.867 -1.396 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.697 -3.671 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.013 -2.803 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.867 -4.577 -2.749 1.00 0.00 H new ATOM 913 N GLU A 64 -1.226 -5.842 -4.399 1.00 0.00 N ATOM 914 CA GLU A 64 -1.415 -7.157 -4.986 1.00 0.00 C ATOM 915 C GLU A 64 -1.033 -8.247 -3.982 1.00 0.00 C ATOM 916 O GLU A 64 0.105 -8.713 -3.970 1.00 0.00 O ATOM 917 CB GLU A 64 -0.614 -7.300 -6.281 1.00 0.00 C ATOM 918 CG GLU A 64 -0.403 -8.773 -6.637 1.00 0.00 C ATOM 919 CD GLU A 64 -0.492 -8.991 -8.148 1.00 0.00 C ATOM 920 OE1 GLU A 64 0.533 -8.743 -8.819 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.584 -9.400 -8.599 1.00 0.00 O ATOM 0 H GLU A 64 -0.465 -5.782 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.470 -7.273 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.138 -6.797 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.352 -6.807 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.571 -9.102 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.153 -9.383 -6.133 1.00 0.00 H new ATOM 928 N PHE A 65 -2.006 -8.621 -3.164 1.00 0.00 N ATOM 929 CA PHE A 65 -1.786 -9.647 -2.159 1.00 0.00 C ATOM 930 C PHE A 65 -0.909 -10.773 -2.708 1.00 0.00 C ATOM 931 O PHE A 65 -1.146 -11.270 -3.808 1.00 0.00 O ATOM 932 CB PHE A 65 -3.158 -10.217 -1.794 1.00 0.00 C ATOM 933 CG PHE A 65 -3.940 -9.365 -0.793 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.784 -9.569 0.543 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.792 -8.402 -1.238 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.509 -8.778 1.472 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.517 -7.611 -0.308 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.361 -7.816 1.027 1.00 0.00 C ATOM 0 H PHE A 65 -2.949 -8.232 -3.177 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.280 -9.218 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.749 -10.324 -2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.026 -11.217 -1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.108 -10.333 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.917 -8.239 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.384 -8.940 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.193 -6.846 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.914 -7.215 1.734 1.00 0.00 H new ATOM 948 N LEU A 66 0.087 -11.143 -1.917 1.00 0.00 N ATOM 949 CA LEU A 66 1.002 -12.202 -2.310 1.00 0.00 C ATOM 950 C LEU A 66 0.523 -13.529 -1.718 1.00 0.00 C ATOM 951 O LEU A 66 0.088 -13.579 -0.569 1.00 0.00 O ATOM 952 CB LEU A 66 2.438 -11.840 -1.927 1.00 0.00 C ATOM 953 CG LEU A 66 2.840 -10.379 -2.139 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.447 -9.786 -0.865 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.778 -10.238 -3.340 1.00 0.00 C ATOM 0 H LEU A 66 0.281 -10.728 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 66 1.006 -12.319 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.586 -12.088 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.116 -12.470 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 66 1.940 -9.806 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.724 -8.747 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.716 -9.833 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.334 -10.355 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.049 -9.190 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.679 -10.827 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.275 -10.596 -4.238 1.00 0.00 H new