USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=13 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 -76:sc= 1.26 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.00165 USER MOD Set 2.2: A 33 THR OG1 : rot 90:sc= 0.39 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.0125 (180deg=-0.515) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 95:sc= -0.0689 USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0168) USER MOD Single : A 28 SER OG : rot 18:sc= 0.0892 USER MOD Single : A 37 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.3!) USER MOD Single : A 39 HIS : no HE2:sc= -8.33! C(o=-8.3!,f=-7.7!) USER MOD Single : A 41 SER OG : rot -9:sc= -2.01 USER MOD Single : A 42 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.2) USER MOD Single : A 52 ASN : amide:sc= -1.48 K(o=-1.5,f=-8!) USER MOD Single : A 54 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.42) USER MOD Single : A 61 ASN : amide:sc= -0.626 X(o=-0.63,f=-0.21) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -0.310 -12.061 6.395 1.00 0.00 N ATOM 115 CA ARG A 11 -0.243 -11.912 4.951 1.00 0.00 C ATOM 116 C ARG A 11 0.511 -10.633 4.583 1.00 0.00 C ATOM 117 O ARG A 11 0.686 -9.749 5.420 1.00 0.00 O ATOM 118 CB ARG A 11 -1.643 -11.866 4.337 1.00 0.00 C ATOM 119 CG ARG A 11 -2.121 -13.268 3.955 1.00 0.00 C ATOM 120 CD ARG A 11 -3.621 -13.426 4.213 1.00 0.00 C ATOM 121 NE ARG A 11 -3.902 -14.774 4.753 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.131 -15.229 5.037 1.00 0.00 C ATOM 123 NH1 ARG A 11 -6.198 -14.445 4.834 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.291 -16.467 5.523 1.00 0.00 N ATOM 0 HA ARG A 11 0.288 -12.777 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.341 -11.421 5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.636 -11.227 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.908 -13.454 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.569 -14.013 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.959 -12.666 4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.176 -13.273 3.287 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.111 -15.397 4.920 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.075 -13.503 4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.133 -14.790 5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.478 -17.063 5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.226 -16.813 5.739 1.00 0.00 H new ATOM 138 N LYS A 12 0.937 -10.574 3.330 1.00 0.00 N ATOM 139 CA LYS A 12 1.668 -9.418 2.841 1.00 0.00 C ATOM 140 C LYS A 12 1.120 -9.016 1.471 1.00 0.00 C ATOM 141 O LYS A 12 0.589 -9.852 0.741 1.00 0.00 O ATOM 142 CB LYS A 12 3.173 -9.694 2.845 1.00 0.00 C ATOM 143 CG LYS A 12 3.719 -9.737 4.274 1.00 0.00 C ATOM 144 CD LYS A 12 4.960 -10.628 4.360 1.00 0.00 C ATOM 145 CE LYS A 12 4.655 -12.042 3.861 1.00 0.00 C ATOM 146 NZ LYS A 12 5.328 -13.048 4.713 1.00 0.00 N ATOM 0 H LYS A 12 0.790 -11.309 2.638 1.00 0.00 H new ATOM 0 HA LYS A 12 1.522 -8.566 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.374 -10.642 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.690 -8.920 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.968 -8.728 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.950 -10.112 4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.765 -10.195 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.311 -10.670 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.578 -12.212 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.988 -12.150 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.111 -14.002 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.356 -12.894 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.990 -12.955 5.692 1.00 0.00 H new ATOM 160 N ALA A 13 1.268 -7.736 1.162 1.00 0.00 N ATOM 161 CA ALA A 13 0.794 -7.213 -0.108 1.00 0.00 C ATOM 162 C ALA A 13 1.907 -6.392 -0.764 1.00 0.00 C ATOM 163 O ALA A 13 2.741 -5.808 -0.074 1.00 0.00 O ATOM 164 CB ALA A 13 -0.478 -6.393 0.119 1.00 0.00 C ATOM 0 H ALA A 13 1.710 -7.046 1.769 1.00 0.00 H new ATOM 0 HA ALA A 13 0.540 -8.027 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.833 -6.001 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.247 -7.028 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.261 -5.565 0.794 1.00 0.00 H new ATOM 170 N LYS A 14 1.883 -6.375 -2.088 1.00 0.00 N ATOM 171 CA LYS A 14 2.880 -5.636 -2.845 1.00 0.00 C ATOM 172 C LYS A 14 2.193 -4.514 -3.626 1.00 0.00 C ATOM 173 O LYS A 14 1.234 -4.759 -4.357 1.00 0.00 O ATOM 174 CB LYS A 14 3.698 -6.585 -3.723 1.00 0.00 C ATOM 175 CG LYS A 14 4.108 -5.905 -5.031 1.00 0.00 C ATOM 176 CD LYS A 14 5.125 -6.755 -5.795 1.00 0.00 C ATOM 177 CE LYS A 14 4.431 -7.649 -6.824 1.00 0.00 C ATOM 178 NZ LYS A 14 4.293 -9.027 -6.304 1.00 0.00 N ATOM 0 H LYS A 14 1.189 -6.861 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 14 3.596 -5.164 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.588 -6.910 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.114 -7.479 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.227 -5.741 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.535 -4.925 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.842 -6.106 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.689 -7.371 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.448 -7.244 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.004 -7.660 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.144 -9.684 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.158 -9.293 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.479 -9.074 -5.658 1.00 0.00 H new ATOM 192 N ALA A 15 2.710 -3.308 -3.445 1.00 0.00 N ATOM 193 CA ALA A 15 2.158 -2.148 -4.124 1.00 0.00 C ATOM 194 C ALA A 15 2.388 -2.286 -5.631 1.00 0.00 C ATOM 195 O ALA A 15 3.525 -2.418 -6.079 1.00 0.00 O ATOM 196 CB ALA A 15 2.786 -0.875 -3.553 1.00 0.00 C ATOM 0 H ALA A 15 3.505 -3.109 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 15 1.082 -2.083 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.372 -0.005 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.569 -0.809 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.865 -0.903 -3.702 1.00 0.00 H new ATOM 202 N LEU A 16 1.289 -2.252 -6.370 1.00 0.00 N ATOM 203 CA LEU A 16 1.356 -2.372 -7.817 1.00 0.00 C ATOM 204 C LEU A 16 1.975 -1.101 -8.401 1.00 0.00 C ATOM 205 O LEU A 16 2.897 -1.171 -9.213 1.00 0.00 O ATOM 206 CB LEU A 16 -0.022 -2.705 -8.391 1.00 0.00 C ATOM 207 CG LEU A 16 -0.623 -4.044 -7.959 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.120 -4.099 -8.270 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.137 -5.214 -8.587 1.00 0.00 C ATOM 0 H LEU A 16 0.347 -2.143 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 16 2.003 -3.202 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.713 -1.911 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.047 -2.695 -9.479 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.516 -4.134 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.522 -5.061 -7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.632 -3.298 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.274 -3.977 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.310 -6.154 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.084 -5.141 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.180 -5.181 -8.272 1.00 0.00 H new ATOM 221 N TYR A 17 1.444 0.032 -7.966 1.00 0.00 N ATOM 222 CA TYR A 17 1.933 1.317 -8.436 1.00 0.00 C ATOM 223 C TYR A 17 2.321 2.219 -7.263 1.00 0.00 C ATOM 224 O TYR A 17 1.742 2.121 -6.182 1.00 0.00 O ATOM 225 CB TYR A 17 0.769 1.960 -9.194 1.00 0.00 C ATOM 226 CG TYR A 17 0.019 0.996 -10.116 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.959 0.169 -9.602 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.322 0.954 -11.462 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.664 -0.737 -10.471 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.383 0.047 -12.330 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.342 -0.754 -11.792 1.00 0.00 C ATOM 232 OH TYR A 17 -2.008 -1.610 -12.612 1.00 0.00 O ATOM 0 H TYR A 17 0.680 0.087 -7.293 1.00 0.00 H new ATOM 0 HA TYR A 17 2.817 1.186 -9.060 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.066 2.378 -8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.150 2.791 -9.787 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.195 0.201 -8.549 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.088 1.601 -11.864 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.432 -1.389 -10.082 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.156 0.004 -13.385 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.674 -1.512 -13.528 1.00 0.00 H new ATOM 242 N ALA A 18 3.299 3.076 -7.515 1.00 0.00 N ATOM 243 CA ALA A 18 3.772 3.995 -6.493 1.00 0.00 C ATOM 244 C ALA A 18 2.686 5.033 -6.205 1.00 0.00 C ATOM 245 O ALA A 18 2.138 5.636 -7.127 1.00 0.00 O ATOM 246 CB ALA A 18 5.084 4.635 -6.950 1.00 0.00 C ATOM 0 H ALA A 18 3.777 3.154 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 18 3.975 3.464 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.439 5.324 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.831 3.858 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.919 5.180 -7.880 1.00 0.00 H new ATOM 252 N CYS A 19 2.407 5.211 -4.922 1.00 0.00 N ATOM 253 CA CYS A 19 1.396 6.166 -4.501 1.00 0.00 C ATOM 254 C CYS A 19 2.013 7.083 -3.443 1.00 0.00 C ATOM 255 O CYS A 19 2.659 6.612 -2.508 1.00 0.00 O ATOM 256 CB CYS A 19 0.137 5.467 -3.986 1.00 0.00 C ATOM 257 SG CYS A 19 -1.349 6.424 -4.460 1.00 0.00 S ATOM 0 H CYS A 19 2.864 4.710 -4.160 1.00 0.00 H new ATOM 0 HA CYS A 19 1.077 6.762 -5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.077 4.459 -4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.185 5.367 -2.902 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.833 5.952 -5.570 1.00 0.00 H new ATOM 263 N LYS A 20 1.793 8.377 -3.627 1.00 0.00 N ATOM 264 CA LYS A 20 2.319 9.364 -2.699 1.00 0.00 C ATOM 265 C LYS A 20 1.200 9.826 -1.764 1.00 0.00 C ATOM 266 O LYS A 20 0.517 10.809 -2.045 1.00 0.00 O ATOM 267 CB LYS A 20 2.995 10.506 -3.460 1.00 0.00 C ATOM 268 CG LYS A 20 4.141 11.107 -2.643 1.00 0.00 C ATOM 269 CD LYS A 20 3.979 12.622 -2.504 1.00 0.00 C ATOM 270 CE LYS A 20 5.032 13.202 -1.557 1.00 0.00 C ATOM 271 NZ LYS A 20 6.373 13.155 -2.182 1.00 0.00 N ATOM 0 H LYS A 20 1.258 8.764 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 20 3.096 8.924 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.377 10.137 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.262 11.280 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.167 10.648 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.093 10.882 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.067 13.092 -3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.982 12.852 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.777 14.232 -1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.039 12.639 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.065 13.613 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.649 12.164 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.349 13.654 -3.094 1.00 0.00 H new ATOM 350 N GLU A 26 -3.033 7.449 5.292 1.00 0.00 N ATOM 351 CA GLU A 26 -2.500 6.702 4.166 1.00 0.00 C ATOM 352 C GLU A 26 -0.983 6.550 4.301 1.00 0.00 C ATOM 353 O GLU A 26 -0.347 7.284 5.055 1.00 0.00 O ATOM 354 CB GLU A 26 -2.868 7.371 2.840 1.00 0.00 C ATOM 355 CG GLU A 26 -4.348 7.163 2.514 1.00 0.00 C ATOM 356 CD GLU A 26 -4.558 6.985 1.009 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.770 6.220 0.412 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.502 7.618 0.489 1.00 0.00 O ATOM 0 HA GLU A 26 -2.948 5.708 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.650 8.438 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.254 6.960 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.721 6.286 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.925 8.018 2.867 1.00 0.00 H new ATOM 365 N LEU A 27 -0.448 5.592 3.558 1.00 0.00 N ATOM 366 CA LEU A 27 0.982 5.335 3.585 1.00 0.00 C ATOM 367 C LEU A 27 1.565 5.576 2.191 1.00 0.00 C ATOM 368 O LEU A 27 0.901 5.331 1.185 1.00 0.00 O ATOM 369 CB LEU A 27 1.264 3.936 4.136 1.00 0.00 C ATOM 370 CG LEU A 27 0.550 3.572 5.439 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.445 2.054 5.602 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.231 4.232 6.640 1.00 0.00 C ATOM 0 H LEU A 27 -0.979 4.985 2.934 1.00 0.00 H new ATOM 0 HA LEU A 27 1.481 6.027 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.986 3.205 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.338 3.839 4.294 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.467 3.961 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.067 1.823 6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.118 1.636 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.445 1.620 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.704 3.957 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.266 3.895 6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.209 5.315 6.521 1.00 0.00 H new ATOM 384 N SER A 28 2.801 6.052 2.177 1.00 0.00 N ATOM 385 CA SER A 28 3.482 6.329 0.923 1.00 0.00 C ATOM 386 C SER A 28 4.530 5.249 0.647 1.00 0.00 C ATOM 387 O SER A 28 5.332 4.920 1.520 1.00 0.00 O ATOM 388 CB SER A 28 4.137 7.712 0.945 1.00 0.00 C ATOM 389 OG SER A 28 5.132 7.814 1.960 1.00 0.00 O ATOM 0 H SER A 28 3.349 6.253 3.014 1.00 0.00 H new ATOM 0 HA SER A 28 2.742 6.321 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.588 7.916 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.373 8.473 1.108 1.00 0.00 H new ATOM 0 HG SER A 28 5.405 6.916 2.242 1.00 0.00 H new ATOM 395 N PHE A 29 4.491 4.729 -0.570 1.00 0.00 N ATOM 396 CA PHE A 29 5.428 3.693 -0.972 1.00 0.00 C ATOM 397 C PHE A 29 5.593 3.663 -2.493 1.00 0.00 C ATOM 398 O PHE A 29 4.894 4.377 -3.211 1.00 0.00 O ATOM 399 CB PHE A 29 4.843 2.357 -0.509 1.00 0.00 C ATOM 400 CG PHE A 29 3.344 2.207 -0.776 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.911 1.763 -1.987 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.445 2.518 0.196 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.520 1.624 -2.236 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.054 2.379 -0.053 1.00 0.00 C ATOM 405 CZ PHE A 29 0.621 1.935 -1.263 1.00 0.00 C ATOM 0 H PHE A 29 3.825 5.005 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 29 6.406 3.885 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.373 1.547 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.024 2.244 0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.625 1.516 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.789 2.871 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.176 1.272 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.340 2.626 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.437 1.829 -1.452 1.00 0.00 H new ATOM 415 N THR A 30 6.522 2.831 -2.939 1.00 0.00 N ATOM 416 CA THR A 30 6.789 2.699 -4.361 1.00 0.00 C ATOM 417 C THR A 30 6.449 1.285 -4.838 1.00 0.00 C ATOM 418 O THR A 30 6.605 0.320 -4.092 1.00 0.00 O ATOM 419 CB THR A 30 8.247 3.089 -4.607 1.00 0.00 C ATOM 420 OG1 THR A 30 8.978 2.322 -3.654 1.00 0.00 O ATOM 421 CG2 THR A 30 8.539 4.540 -4.219 1.00 0.00 C ATOM 0 H THR A 30 7.100 2.241 -2.340 1.00 0.00 H new ATOM 0 HA THR A 30 6.156 3.367 -4.946 1.00 0.00 H new ATOM 0 HB THR A 30 8.489 2.938 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.935 2.513 -3.745 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.588 4.765 -4.414 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.910 5.208 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.328 4.683 -3.159 1.00 0.00 H new ATOM 429 N ALA A 31 5.992 1.208 -6.079 1.00 0.00 N ATOM 430 CA ALA A 31 5.629 -0.071 -6.665 1.00 0.00 C ATOM 431 C ALA A 31 6.665 -1.123 -6.263 1.00 0.00 C ATOM 432 O ALA A 31 7.866 -0.903 -6.406 1.00 0.00 O ATOM 433 CB ALA A 31 5.509 0.078 -8.183 1.00 0.00 C ATOM 0 H ALA A 31 5.865 2.011 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 31 4.660 -0.403 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.237 -0.882 -8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.741 0.815 -8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.464 0.407 -8.593 1.00 0.00 H new ATOM 439 N GLY A 32 6.161 -2.244 -5.768 1.00 0.00 N ATOM 440 CA GLY A 32 7.027 -3.331 -5.344 1.00 0.00 C ATOM 441 C GLY A 32 7.083 -3.425 -3.818 1.00 0.00 C ATOM 442 O GLY A 32 7.347 -4.492 -3.267 1.00 0.00 O ATOM 0 H GLY A 32 5.164 -2.423 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.664 -4.272 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.031 -3.176 -5.739 1.00 0.00 H new ATOM 446 N THR A 33 6.830 -2.293 -3.178 1.00 0.00 N ATOM 447 CA THR A 33 6.848 -2.233 -1.726 1.00 0.00 C ATOM 448 C THR A 33 5.939 -3.315 -1.137 1.00 0.00 C ATOM 449 O THR A 33 4.763 -3.399 -1.485 1.00 0.00 O ATOM 450 CB THR A 33 6.456 -0.816 -1.306 1.00 0.00 C ATOM 451 OG1 THR A 33 7.659 -0.066 -1.448 1.00 0.00 O ATOM 452 CG2 THR A 33 6.129 -0.716 0.186 1.00 0.00 C ATOM 0 H THR A 33 6.611 -1.410 -3.638 1.00 0.00 H new ATOM 0 HA THR A 33 7.844 -2.439 -1.334 1.00 0.00 H new ATOM 0 HB THR A 33 5.594 -0.491 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.710 0.303 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.857 0.311 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.296 -1.378 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.001 -1.010 0.770 1.00 0.00 H new ATOM 460 N VAL A 34 6.520 -4.114 -0.255 1.00 0.00 N ATOM 461 CA VAL A 34 5.778 -5.187 0.386 1.00 0.00 C ATOM 462 C VAL A 34 5.372 -4.749 1.795 1.00 0.00 C ATOM 463 O VAL A 34 6.218 -4.345 2.591 1.00 0.00 O ATOM 464 CB VAL A 34 6.605 -6.474 0.375 1.00 0.00 C ATOM 465 CG1 VAL A 34 6.057 -7.486 1.383 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.662 -7.077 -1.030 1.00 0.00 C ATOM 0 H VAL A 34 7.496 -4.040 0.031 1.00 0.00 H new ATOM 0 HA VAL A 34 4.862 -5.401 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 34 7.622 -6.221 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.663 -8.392 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.091 -7.057 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.026 -7.731 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.256 -7.991 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.652 -7.308 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.119 -6.362 -1.714 1.00 0.00 H new ATOM 476 N PHE A 35 4.077 -4.845 2.059 1.00 0.00 N ATOM 477 CA PHE A 35 3.549 -4.464 3.358 1.00 0.00 C ATOM 478 C PHE A 35 3.434 -5.679 4.281 1.00 0.00 C ATOM 479 O PHE A 35 3.262 -6.804 3.814 1.00 0.00 O ATOM 480 CB PHE A 35 2.153 -3.885 3.121 1.00 0.00 C ATOM 481 CG PHE A 35 2.123 -2.719 2.131 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.352 -1.451 2.566 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.867 -2.951 0.815 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.324 -0.369 1.647 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.839 -1.869 -0.104 1.00 0.00 C ATOM 486 CZ PHE A 35 2.068 -0.601 0.331 1.00 0.00 C ATOM 0 H PHE A 35 3.378 -5.181 1.396 1.00 0.00 H new ATOM 0 HA PHE A 35 4.214 -3.742 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.500 -4.677 2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.743 -3.550 4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.555 -1.267 3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.685 -3.958 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.506 0.638 1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.636 -2.053 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.047 0.222 -0.368 1.00 0.00 H new ATOM 496 N ASP A 36 3.534 -5.411 5.575 1.00 0.00 N ATOM 497 CA ASP A 36 3.443 -6.468 6.567 1.00 0.00 C ATOM 498 C ASP A 36 2.018 -6.520 7.122 1.00 0.00 C ATOM 499 O ASP A 36 1.363 -5.488 7.258 1.00 0.00 O ATOM 500 CB ASP A 36 4.396 -6.210 7.736 1.00 0.00 C ATOM 501 CG ASP A 36 5.640 -7.101 7.766 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.365 -7.098 6.747 1.00 0.00 O ATOM 503 OD2 ASP A 36 5.837 -7.766 8.806 1.00 0.00 O ATOM 0 H ASP A 36 3.677 -4.477 5.959 1.00 0.00 H new ATOM 0 HA ASP A 36 3.711 -7.408 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.715 -5.168 7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.848 -6.346 8.668 1.00 0.00 H new ATOM 508 N ASN A 37 1.580 -7.733 7.428 1.00 0.00 N ATOM 509 CA ASN A 37 0.245 -7.933 7.965 1.00 0.00 C ATOM 510 C ASN A 37 -0.736 -7.011 7.238 1.00 0.00 C ATOM 511 O ASN A 37 -1.036 -5.918 7.716 1.00 0.00 O ATOM 512 CB ASN A 37 0.195 -7.595 9.456 1.00 0.00 C ATOM 513 CG ASN A 37 -0.822 -8.476 10.184 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.393 -9.400 9.628 1.00 0.00 O ATOM 515 ND2 ASN A 37 -1.016 -8.141 11.456 1.00 0.00 N ATOM 0 H ASN A 37 2.126 -8.587 7.314 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.022 -8.980 7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.182 -7.733 9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.069 -6.545 9.586 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.675 -8.669 12.028 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.505 -7.356 11.860 1.00 0.00 H new ATOM 522 N VAL A 38 -1.208 -7.485 6.094 1.00 0.00 N ATOM 523 CA VAL A 38 -2.148 -6.717 5.297 1.00 0.00 C ATOM 524 C VAL A 38 -3.570 -7.204 5.583 1.00 0.00 C ATOM 525 O VAL A 38 -3.813 -8.407 5.665 1.00 0.00 O ATOM 526 CB VAL A 38 -1.773 -6.805 3.816 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.867 -6.197 2.936 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.423 -6.135 3.552 1.00 0.00 C ATOM 0 H VAL A 38 -0.956 -8.392 5.700 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.105 -5.662 5.568 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.681 -7.860 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.575 -6.273 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.801 -6.736 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.005 -5.148 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.180 -6.211 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.476 -5.084 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.350 -6.631 4.138 1.00 0.00 H new ATOM 538 N HIS A 39 -4.473 -6.245 5.726 1.00 0.00 N ATOM 539 CA HIS A 39 -5.864 -6.562 6.002 1.00 0.00 C ATOM 540 C HIS A 39 -6.754 -5.408 5.537 1.00 0.00 C ATOM 541 O HIS A 39 -6.283 -4.285 5.365 1.00 0.00 O ATOM 542 CB HIS A 39 -6.061 -6.904 7.480 1.00 0.00 C ATOM 543 CG HIS A 39 -5.663 -5.796 8.425 1.00 0.00 C ATOM 544 ND1 HIS A 39 -5.011 -6.032 9.623 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.830 -4.446 8.336 1.00 0.00 C ATOM 546 CE1 HIS A 39 -4.801 -4.868 10.221 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.309 -3.886 9.422 1.00 0.00 N ATOM 0 H HIS A 39 -4.268 -5.248 5.656 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.157 -7.450 5.442 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.109 -7.152 7.648 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.480 -7.796 7.717 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.739 -6.946 9.984 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.305 -3.921 7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.313 -4.723 11.174 1.00 0.00 H new ATOM 555 N PRO A 40 -8.060 -5.733 5.341 1.00 0.00 N ATOM 556 CA PRO A 40 -9.021 -4.736 4.899 1.00 0.00 C ATOM 557 C PRO A 40 -9.393 -3.788 6.041 1.00 0.00 C ATOM 558 O PRO A 40 -10.047 -4.193 7.001 1.00 0.00 O ATOM 559 CB PRO A 40 -10.206 -5.535 4.381 1.00 0.00 C ATOM 560 CG PRO A 40 -10.063 -6.927 4.976 1.00 0.00 C ATOM 561 CD PRO A 40 -8.655 -7.052 5.534 1.00 0.00 C ATOM 0 HA PRO A 40 -8.624 -4.086 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.148 -5.076 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.205 -5.574 3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.801 -7.084 5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.241 -7.687 4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.670 -7.329 6.588 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.089 -7.822 5.010 1.00 0.00 H new ATOM 569 N SER A 41 -8.959 -2.544 5.899 1.00 0.00 N ATOM 570 CA SER A 41 -9.238 -1.536 6.907 1.00 0.00 C ATOM 571 C SER A 41 -10.747 -1.423 7.131 1.00 0.00 C ATOM 572 O SER A 41 -11.502 -2.324 6.767 1.00 0.00 O ATOM 573 CB SER A 41 -8.658 -0.179 6.503 1.00 0.00 C ATOM 574 OG SER A 41 -8.276 0.597 7.636 1.00 0.00 O ATOM 0 H SER A 41 -8.417 -2.212 5.102 1.00 0.00 H new ATOM 0 HA SER A 41 -8.761 -1.842 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.792 -0.332 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.396 0.371 5.919 1.00 0.00 H new ATOM 0 HG SER A 41 -8.596 0.162 8.454 1.00 0.00 H new ATOM 580 N GLN A 42 -11.143 -0.308 7.728 1.00 0.00 N ATOM 581 CA GLN A 42 -12.549 -0.065 8.004 1.00 0.00 C ATOM 582 C GLN A 42 -13.212 0.629 6.813 1.00 0.00 C ATOM 583 O GLN A 42 -14.438 0.688 6.728 1.00 0.00 O ATOM 584 CB GLN A 42 -12.722 0.756 9.284 1.00 0.00 C ATOM 585 CG GLN A 42 -12.659 -0.139 10.523 1.00 0.00 C ATOM 586 CD GLN A 42 -13.896 -1.035 10.615 1.00 0.00 C ATOM 587 OE1 GLN A 42 -14.966 -0.712 10.128 1.00 0.00 O ATOM 588 NE2 GLN A 42 -13.689 -2.176 11.267 1.00 0.00 N ATOM 0 H GLN A 42 -10.515 0.437 8.028 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.040 -1.026 8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.943 1.516 9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.678 1.280 9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.761 -0.755 10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.585 0.478 11.418 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.767 -2.384 11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.452 -2.843 11.383 1.00 0.00 H new ATOM 597 N GLU A 43 -12.373 1.137 5.923 1.00 0.00 N ATOM 598 CA GLU A 43 -12.862 1.825 4.740 1.00 0.00 C ATOM 599 C GLU A 43 -13.041 0.835 3.587 1.00 0.00 C ATOM 600 O GLU A 43 -12.360 -0.187 3.530 1.00 0.00 O ATOM 601 CB GLU A 43 -11.925 2.967 4.343 1.00 0.00 C ATOM 602 CG GLU A 43 -12.122 4.180 5.254 1.00 0.00 C ATOM 603 CD GLU A 43 -12.174 3.759 6.724 1.00 0.00 C ATOM 604 OE1 GLU A 43 -13.255 3.291 7.143 1.00 0.00 O ATOM 605 OE2 GLU A 43 -11.131 3.914 7.396 1.00 0.00 O ATOM 0 H GLU A 43 -11.357 1.086 5.997 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.833 2.261 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.890 2.629 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.111 3.252 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.307 4.888 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.045 4.694 4.986 1.00 0.00 H new ATOM 612 N PRO A 44 -13.984 1.184 2.671 1.00 0.00 N ATOM 613 CA PRO A 44 -14.261 0.338 1.523 1.00 0.00 C ATOM 614 C PRO A 44 -13.152 0.456 0.475 1.00 0.00 C ATOM 615 O PRO A 44 -12.821 1.557 0.038 1.00 0.00 O ATOM 616 CB PRO A 44 -15.615 0.802 1.010 1.00 0.00 C ATOM 617 CG PRO A 44 -15.831 2.187 1.598 1.00 0.00 C ATOM 618 CD PRO A 44 -14.810 2.387 2.706 1.00 0.00 C ATOM 0 HA PRO A 44 -14.288 -0.721 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.630 0.834 -0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.405 0.118 1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.714 2.951 0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.844 2.282 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.212 3.283 2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.295 2.506 3.675 1.00 0.00 H new ATOM 626 N GLY A 45 -12.609 -0.693 0.102 1.00 0.00 N ATOM 627 CA GLY A 45 -11.545 -0.733 -0.886 1.00 0.00 C ATOM 628 C GLY A 45 -10.274 -0.071 -0.349 1.00 0.00 C ATOM 629 O GLY A 45 -9.523 0.544 -1.104 1.00 0.00 O ATOM 0 H GLY A 45 -12.886 -1.604 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.334 -1.767 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.868 -0.225 -1.795 1.00 0.00 H new ATOM 633 N TRP A 46 -10.071 -0.221 0.952 1.00 0.00 N ATOM 634 CA TRP A 46 -8.904 0.354 1.599 1.00 0.00 C ATOM 635 C TRP A 46 -8.323 -0.697 2.547 1.00 0.00 C ATOM 636 O TRP A 46 -9.022 -1.200 3.425 1.00 0.00 O ATOM 637 CB TRP A 46 -9.258 1.665 2.304 1.00 0.00 C ATOM 638 CG TRP A 46 -9.502 2.838 1.352 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.674 3.385 1.002 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.498 3.590 0.640 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.499 4.431 0.118 1.00 0.00 N ATOM 642 CE2 TRP A 46 -9.134 4.559 -0.109 1.00 0.00 C ATOM 643 CE3 TRP A 46 -7.098 3.455 0.628 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.450 5.469 -0.924 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.430 4.372 -0.192 1.00 0.00 C ATOM 646 CH2 TRP A 46 -7.055 5.354 -0.952 1.00 0.00 C ATOM 0 H TRP A 46 -10.695 -0.733 1.576 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.144 0.616 0.862 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.151 1.510 2.910 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.451 1.927 2.988 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.634 3.050 1.365 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.236 5.004 -0.293 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.580 2.704 1.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.971 6.220 -1.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.353 4.312 -0.237 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.467 6.025 -1.561 1.00 0.00 H new ATOM 657 N LEU A 47 -7.050 -0.998 2.337 1.00 0.00 N ATOM 658 CA LEU A 47 -6.367 -1.980 3.162 1.00 0.00 C ATOM 659 C LEU A 47 -5.574 -1.259 4.253 1.00 0.00 C ATOM 660 O LEU A 47 -5.156 -0.117 4.070 1.00 0.00 O ATOM 661 CB LEU A 47 -5.516 -2.909 2.294 1.00 0.00 C ATOM 662 CG LEU A 47 -6.244 -3.607 1.144 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.269 -4.420 0.290 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.400 -4.462 1.665 1.00 0.00 C ATOM 0 H LEU A 47 -6.473 -0.579 1.607 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.088 -2.624 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.692 -2.330 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.077 -3.672 2.936 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.675 -2.842 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.813 -4.906 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.511 -3.757 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.787 -5.177 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.900 -4.947 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.013 -5.221 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.111 -3.828 2.195 1.00 0.00 H new ATOM 676 N GLU A 48 -5.390 -1.957 5.365 1.00 0.00 N ATOM 677 CA GLU A 48 -4.654 -1.398 6.486 1.00 0.00 C ATOM 678 C GLU A 48 -3.503 -2.325 6.881 1.00 0.00 C ATOM 679 O GLU A 48 -3.705 -3.297 7.606 1.00 0.00 O ATOM 680 CB GLU A 48 -5.580 -1.137 7.675 1.00 0.00 C ATOM 681 CG GLU A 48 -4.890 -0.267 8.728 1.00 0.00 C ATOM 682 CD GLU A 48 -5.918 0.469 9.590 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.767 -0.232 10.182 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.830 1.715 9.638 1.00 0.00 O ATOM 0 H GLU A 48 -5.738 -2.904 5.513 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.234 -0.441 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.489 -0.645 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.880 -2.085 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.258 -0.889 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.237 0.455 8.237 1.00 0.00 H new ATOM 691 N GLY A 49 -2.320 -1.992 6.385 1.00 0.00 N ATOM 692 CA GLY A 49 -1.136 -2.783 6.677 1.00 0.00 C ATOM 693 C GLY A 49 -0.148 -1.993 7.538 1.00 0.00 C ATOM 694 O GLY A 49 -0.441 -0.875 7.958 1.00 0.00 O ATOM 0 H GLY A 49 -2.156 -1.185 5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.424 -3.698 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.655 -3.081 5.746 1.00 0.00 H new ATOM 698 N THR A 50 1.003 -2.606 7.773 1.00 0.00 N ATOM 699 CA THR A 50 2.037 -1.974 8.576 1.00 0.00 C ATOM 700 C THR A 50 3.323 -1.818 7.762 1.00 0.00 C ATOM 701 O THR A 50 4.065 -2.781 7.575 1.00 0.00 O ATOM 702 CB THR A 50 2.221 -2.804 9.848 1.00 0.00 C ATOM 703 OG1 THR A 50 0.932 -2.797 10.456 1.00 0.00 O ATOM 704 CG2 THR A 50 3.120 -2.111 10.874 1.00 0.00 C ATOM 0 H THR A 50 1.243 -3.533 7.422 1.00 0.00 H new ATOM 0 HA THR A 50 1.749 -0.964 8.868 1.00 0.00 H new ATOM 0 HB THR A 50 2.645 -3.774 9.590 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.778 -1.930 10.887 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.218 -2.742 11.757 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.105 -1.941 10.439 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.679 -1.155 11.158 1.00 0.00 H new ATOM 712 N LEU A 51 3.547 -0.597 7.299 1.00 0.00 N ATOM 713 CA LEU A 51 4.730 -0.301 6.509 1.00 0.00 C ATOM 714 C LEU A 51 5.806 0.301 7.415 1.00 0.00 C ATOM 715 O LEU A 51 5.756 1.486 7.740 1.00 0.00 O ATOM 716 CB LEU A 51 4.369 0.581 5.312 1.00 0.00 C ATOM 717 CG LEU A 51 5.547 1.148 4.517 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.117 0.099 3.560 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.150 2.433 3.789 1.00 0.00 C ATOM 0 H LEU A 51 2.929 0.199 7.456 1.00 0.00 H new ATOM 0 HA LEU A 51 5.144 -1.216 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.744 0.000 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.763 1.414 5.669 1.00 0.00 H new ATOM 0 HG LEU A 51 6.339 1.408 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.953 0.527 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.463 -0.764 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.342 -0.215 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.006 2.815 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.332 2.223 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.829 3.179 4.516 1.00 0.00 H new ATOM 731 N ASN A 52 6.753 -0.543 7.798 1.00 0.00 N ATOM 732 CA ASN A 52 7.839 -0.109 8.660 1.00 0.00 C ATOM 733 C ASN A 52 7.262 0.397 9.984 1.00 0.00 C ATOM 734 O ASN A 52 7.199 1.603 10.217 1.00 0.00 O ATOM 735 CB ASN A 52 8.626 1.036 8.020 1.00 0.00 C ATOM 736 CG ASN A 52 9.070 0.670 6.602 1.00 0.00 C ATOM 737 OD1 ASN A 52 8.267 0.429 5.715 1.00 0.00 O ATOM 738 ND2 ASN A 52 10.390 0.643 6.438 1.00 0.00 N ATOM 0 H ASN A 52 6.791 -1.526 7.527 1.00 0.00 H new ATOM 0 HA ASN A 52 8.503 -0.959 8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.010 1.935 7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.499 1.268 8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.786 0.410 5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.006 0.855 7.223 1.00 0.00 H new ATOM 745 N GLY A 53 6.855 -0.550 10.816 1.00 0.00 N ATOM 746 CA GLY A 53 6.286 -0.216 12.110 1.00 0.00 C ATOM 747 C GLY A 53 5.371 1.006 12.007 1.00 0.00 C ATOM 748 O GLY A 53 5.345 1.844 12.907 1.00 0.00 O ATOM 0 H GLY A 53 6.908 -1.549 10.619 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.722 -1.066 12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.086 -0.017 12.823 1.00 0.00 H new ATOM 752 N LYS A 54 4.643 1.069 10.902 1.00 0.00 N ATOM 753 CA LYS A 54 3.729 2.175 10.670 1.00 0.00 C ATOM 754 C LYS A 54 2.463 1.650 9.990 1.00 0.00 C ATOM 755 O LYS A 54 2.528 1.088 8.897 1.00 0.00 O ATOM 756 CB LYS A 54 4.427 3.292 9.892 1.00 0.00 C ATOM 757 CG LYS A 54 3.680 4.619 10.050 1.00 0.00 C ATOM 758 CD LYS A 54 4.455 5.764 9.395 1.00 0.00 C ATOM 759 CE LYS A 54 4.311 5.724 7.872 1.00 0.00 C ATOM 760 NZ LYS A 54 5.480 5.054 7.259 1.00 0.00 N ATOM 0 H LYS A 54 4.667 0.372 10.157 1.00 0.00 H new ATOM 0 HA LYS A 54 3.422 2.621 11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.451 3.403 10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.483 3.025 8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.691 4.540 9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.532 4.834 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.089 6.719 9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.509 5.696 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.397 5.195 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.220 6.738 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.115 5.769 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.990 4.512 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.157 4.409 6.509 1.00 0.00 H new ATOM 774 N THR A 55 1.340 1.852 10.664 1.00 0.00 N ATOM 775 CA THR A 55 0.061 1.406 10.138 1.00 0.00 C ATOM 776 C THR A 55 -0.693 2.577 9.506 1.00 0.00 C ATOM 777 O THR A 55 -0.684 3.686 10.038 1.00 0.00 O ATOM 778 CB THR A 55 -0.708 0.731 11.276 1.00 0.00 C ATOM 779 OG1 THR A 55 0.003 -0.482 11.505 1.00 0.00 O ATOM 780 CG2 THR A 55 -2.103 0.270 10.847 1.00 0.00 C ATOM 0 H THR A 55 1.289 2.319 11.570 1.00 0.00 H new ATOM 0 HA THR A 55 0.194 0.677 9.339 1.00 0.00 H new ATOM 0 HB THR A 55 -0.796 1.422 12.114 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.428 -0.982 12.230 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.606 -0.202 11.691 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.684 1.130 10.513 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.014 -0.447 10.031 1.00 0.00 H new ATOM 788 N GLY A 56 -1.327 2.291 8.378 1.00 0.00 N ATOM 789 CA GLY A 56 -2.084 3.307 7.667 1.00 0.00 C ATOM 790 C GLY A 56 -3.035 2.671 6.651 1.00 0.00 C ATOM 791 O GLY A 56 -3.166 1.449 6.598 1.00 0.00 O ATOM 0 H GLY A 56 -1.332 1.370 7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.653 3.906 8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.400 3.984 7.156 1.00 0.00 H new ATOM 795 N LEU A 57 -3.674 3.529 5.869 1.00 0.00 N ATOM 796 CA LEU A 57 -4.609 3.066 4.858 1.00 0.00 C ATOM 797 C LEU A 57 -3.866 2.867 3.535 1.00 0.00 C ATOM 798 O LEU A 57 -2.974 3.643 3.197 1.00 0.00 O ATOM 799 CB LEU A 57 -5.802 4.019 4.755 1.00 0.00 C ATOM 800 CG LEU A 57 -6.615 4.216 6.036 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.722 5.252 5.829 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.166 2.883 6.547 1.00 0.00 C ATOM 0 H LEU A 57 -3.563 4.542 5.915 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.026 2.099 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.437 4.992 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.470 3.650 3.977 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.949 4.605 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.285 5.373 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.279 6.207 5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.392 4.915 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.740 3.052 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.812 2.441 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.339 2.205 6.759 1.00 0.00 H new ATOM 814 N ILE A 58 -4.261 1.821 2.824 1.00 0.00 N ATOM 815 CA ILE A 58 -3.644 1.510 1.546 1.00 0.00 C ATOM 816 C ILE A 58 -4.735 1.216 0.515 1.00 0.00 C ATOM 817 O ILE A 58 -5.735 0.572 0.830 1.00 0.00 O ATOM 818 CB ILE A 58 -2.626 0.378 1.704 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.560 0.740 2.740 1.00 0.00 C ATOM 820 CG2 ILE A 58 -2.010 0.002 0.355 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.962 -0.518 3.373 1.00 0.00 C ATOM 0 H ILE A 58 -5.000 1.179 3.109 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.080 2.367 1.177 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.150 -0.503 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.771 1.324 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.999 1.368 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.290 -0.804 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.796 -0.327 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.504 0.870 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.207 -0.233 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.750 -1.087 3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.502 -1.132 2.598 1.00 0.00 H new ATOM 833 N PRO A 59 -4.501 1.715 -0.729 1.00 0.00 N ATOM 834 CA PRO A 59 -5.453 1.512 -1.808 1.00 0.00 C ATOM 835 C PRO A 59 -5.388 0.077 -2.334 1.00 0.00 C ATOM 836 O PRO A 59 -4.384 -0.330 -2.916 1.00 0.00 O ATOM 837 CB PRO A 59 -5.083 2.547 -2.858 1.00 0.00 C ATOM 838 CG PRO A 59 -3.660 2.976 -2.537 1.00 0.00 C ATOM 839 CD PRO A 59 -3.328 2.482 -1.138 1.00 0.00 C ATOM 0 HA PRO A 59 -6.487 1.641 -1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.147 2.126 -3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.764 3.397 -2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.963 2.560 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.567 4.061 -2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.431 1.863 -1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.141 3.313 -0.458 1.00 0.00 H new ATOM 847 N GLU A 60 -6.472 -0.651 -2.110 1.00 0.00 N ATOM 848 CA GLU A 60 -6.551 -2.032 -2.554 1.00 0.00 C ATOM 849 C GLU A 60 -6.342 -2.116 -4.067 1.00 0.00 C ATOM 850 O GLU A 60 -5.965 -3.165 -4.588 1.00 0.00 O ATOM 851 CB GLU A 60 -7.885 -2.663 -2.149 1.00 0.00 C ATOM 852 CG GLU A 60 -8.184 -3.902 -2.994 1.00 0.00 C ATOM 853 CD GLU A 60 -9.168 -4.830 -2.279 1.00 0.00 C ATOM 854 OE1 GLU A 60 -10.331 -4.402 -2.110 1.00 0.00 O ATOM 855 OE2 GLU A 60 -8.736 -5.945 -1.916 1.00 0.00 O ATOM 0 H GLU A 60 -7.303 -0.310 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.757 -2.596 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.857 -2.936 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.687 -1.935 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.598 -3.599 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.258 -4.438 -3.200 1.00 0.00 H new ATOM 862 N ASN A 61 -6.595 -0.998 -4.730 1.00 0.00 N ATOM 863 CA ASN A 61 -6.439 -0.931 -6.173 1.00 0.00 C ATOM 864 C ASN A 61 -5.006 -0.514 -6.508 1.00 0.00 C ATOM 865 O ASN A 61 -4.732 -0.055 -7.616 1.00 0.00 O ATOM 866 CB ASN A 61 -7.387 0.103 -6.783 1.00 0.00 C ATOM 867 CG ASN A 61 -7.236 1.460 -6.092 1.00 0.00 C ATOM 868 OD1 ASN A 61 -6.419 2.287 -6.464 1.00 0.00 O ATOM 869 ND2 ASN A 61 -8.066 1.642 -5.069 1.00 0.00 N ATOM 0 H ASN A 61 -6.907 -0.130 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.668 -1.915 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.180 0.208 -7.848 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.416 -0.243 -6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.043 2.516 -4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.726 0.908 -4.811 1.00 0.00 H new ATOM 876 N TYR A 62 -4.129 -0.690 -5.531 1.00 0.00 N ATOM 877 CA TYR A 62 -2.730 -0.338 -5.709 1.00 0.00 C ATOM 878 C TYR A 62 -1.817 -1.357 -5.025 1.00 0.00 C ATOM 879 O TYR A 62 -0.631 -1.098 -4.825 1.00 0.00 O ATOM 880 CB TYR A 62 -2.550 1.024 -5.035 1.00 0.00 C ATOM 881 CG TYR A 62 -2.121 2.139 -5.990 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.910 2.459 -7.076 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.944 2.825 -5.766 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.506 3.509 -7.975 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.541 3.875 -6.665 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.341 4.165 -7.725 1.00 0.00 C ATOM 887 OH TYR A 62 -0.960 5.157 -8.575 1.00 0.00 O ATOM 0 H TYR A 62 -4.360 -1.072 -4.614 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.470 -0.319 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.488 1.309 -4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.806 0.931 -4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.830 1.922 -7.252 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.326 2.574 -4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.114 3.770 -8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.377 4.420 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.109 5.538 -8.273 1.00 0.00 H new ATOM 897 N VAL A 63 -2.404 -2.495 -4.685 1.00 0.00 N ATOM 898 CA VAL A 63 -1.658 -3.555 -4.028 1.00 0.00 C ATOM 899 C VAL A 63 -1.921 -4.880 -4.747 1.00 0.00 C ATOM 900 O VAL A 63 -2.823 -4.970 -5.578 1.00 0.00 O ATOM 901 CB VAL A 63 -2.014 -3.601 -2.541 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.521 -2.345 -1.820 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.519 -3.791 -2.344 1.00 0.00 C ATOM 0 H VAL A 63 -3.388 -2.706 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.587 -3.361 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.507 -4.460 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.787 -2.403 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.438 -2.271 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.986 -1.465 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.746 -3.820 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.054 -2.961 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.831 -4.727 -2.807 1.00 0.00 H new ATOM 913 N GLU A 64 -1.116 -5.874 -4.402 1.00 0.00 N ATOM 914 CA GLU A 64 -1.251 -7.189 -5.004 1.00 0.00 C ATOM 915 C GLU A 64 -0.847 -8.275 -4.004 1.00 0.00 C ATOM 916 O GLU A 64 0.312 -8.686 -3.963 1.00 0.00 O ATOM 917 CB GLU A 64 -0.424 -7.292 -6.287 1.00 0.00 C ATOM 918 CG GLU A 64 -0.155 -8.753 -6.651 1.00 0.00 C ATOM 919 CD GLU A 64 -0.251 -8.969 -8.163 1.00 0.00 C ATOM 920 OE1 GLU A 64 0.643 -8.452 -8.867 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.215 -9.646 -8.579 1.00 0.00 O ATOM 0 H GLU A 64 -0.368 -5.795 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.297 -7.339 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.952 -6.801 -7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.522 -6.766 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.836 -9.042 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.873 -9.396 -6.142 1.00 0.00 H new ATOM 928 N PHE A 65 -1.825 -8.708 -3.222 1.00 0.00 N ATOM 929 CA PHE A 65 -1.586 -9.737 -2.225 1.00 0.00 C ATOM 930 C PHE A 65 -0.658 -10.824 -2.771 1.00 0.00 C ATOM 931 O PHE A 65 -0.803 -11.253 -3.915 1.00 0.00 O ATOM 932 CB PHE A 65 -2.943 -10.362 -1.893 1.00 0.00 C ATOM 933 CG PHE A 65 -3.794 -9.526 -0.935 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.642 -9.665 0.409 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.704 -8.644 -1.428 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.432 -8.889 1.297 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.495 -7.868 -0.540 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.342 -8.007 0.805 1.00 0.00 C ATOM 0 H PHE A 65 -2.785 -8.365 -3.259 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.113 -9.300 -1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.498 -10.513 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.781 -11.346 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.920 -10.366 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.825 -8.534 -2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.310 -8.999 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.218 -7.168 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.943 -7.417 1.481 1.00 0.00 H new ATOM 948 N LEU A 66 0.275 -11.239 -1.927 1.00 0.00 N ATOM 949 CA LEU A 66 1.227 -12.268 -2.311 1.00 0.00 C ATOM 950 C LEU A 66 0.770 -13.615 -1.748 1.00 0.00 C ATOM 951 O LEU A 66 1.394 -14.155 -0.836 1.00 0.00 O ATOM 952 CB LEU A 66 2.643 -11.873 -1.887 1.00 0.00 C ATOM 953 CG LEU A 66 3.024 -10.407 -2.105 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.606 -9.797 -0.829 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.973 -10.259 -3.296 1.00 0.00 C ATOM 0 H LEU A 66 0.392 -10.882 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 66 1.261 -12.370 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.762 -12.105 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.351 -12.497 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 66 2.118 -9.850 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.869 -8.755 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.867 -9.851 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.498 -10.350 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.228 -9.208 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.881 -10.832 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.486 -10.631 -4.197 1.00 0.00 H new