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 -67:sc= 1.22 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 1.1 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.023 USER MOD Set 2.2: A 33 THR OG1 : rot 99:sc= 0.734 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.0381 (180deg=-0.37) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 HIS : no HE2:sc= -8.3! C(o=-8.3!,f=-7.5!) USER MOD Single : A 41 SER OG : rot -10:sc= -2.12 USER MOD Single : A 42 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.32) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.72) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -0.469 -12.243 6.440 1.00 0.00 N ATOM 115 CA ARG A 11 -0.432 -12.056 5.000 1.00 0.00 C ATOM 116 C ARG A 11 0.305 -10.761 4.652 1.00 0.00 C ATOM 117 O ARG A 11 0.477 -9.892 5.505 1.00 0.00 O ATOM 118 CB ARG A 11 -1.845 -12.004 4.414 1.00 0.00 C ATOM 119 CG ARG A 11 -2.222 -13.340 3.772 1.00 0.00 C ATOM 120 CD ARG A 11 -3.457 -13.192 2.881 1.00 0.00 C ATOM 121 NE ARG A 11 -4.163 -14.488 2.774 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.399 -14.631 2.277 1.00 0.00 C ATOM 123 NH1 ARG A 11 -6.072 -13.559 1.837 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.961 -15.846 2.218 1.00 0.00 N ATOM 0 HA ARG A 11 0.096 -12.906 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.560 -11.760 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.905 -11.209 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.385 -13.712 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.417 -14.079 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.126 -12.437 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.161 -12.847 1.890 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.678 -15.325 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.643 -12.634 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.013 -13.668 1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.448 -16.662 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.902 -15.955 1.840 1.00 0.00 H new ATOM 138 N LYS A 12 0.720 -10.673 3.397 1.00 0.00 N ATOM 139 CA LYS A 12 1.434 -9.499 2.926 1.00 0.00 C ATOM 140 C LYS A 12 0.930 -9.126 1.530 1.00 0.00 C ATOM 141 O LYS A 12 0.353 -9.958 0.832 1.00 0.00 O ATOM 142 CB LYS A 12 2.946 -9.728 2.992 1.00 0.00 C ATOM 143 CG LYS A 12 3.382 -10.098 4.412 1.00 0.00 C ATOM 144 CD LYS A 12 4.804 -10.662 4.418 1.00 0.00 C ATOM 145 CE LYS A 12 4.862 -12.011 3.700 1.00 0.00 C ATOM 146 NZ LYS A 12 5.705 -12.965 4.456 1.00 0.00 N ATOM 0 H LYS A 12 0.575 -11.396 2.692 1.00 0.00 H new ATOM 0 HA LYS A 12 1.235 -8.647 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.228 -10.524 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.468 -8.827 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.333 -9.217 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.693 -10.833 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.480 -9.958 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.149 -10.778 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.855 -12.414 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.264 -11.878 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.734 -13.876 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.670 -12.585 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.305 -13.105 5.406 1.00 0.00 H new ATOM 160 N ALA A 13 1.166 -7.874 1.165 1.00 0.00 N ATOM 161 CA ALA A 13 0.743 -7.381 -0.134 1.00 0.00 C ATOM 162 C ALA A 13 1.875 -6.563 -0.758 1.00 0.00 C ATOM 163 O ALA A 13 2.732 -6.039 -0.047 1.00 0.00 O ATOM 164 CB ALA A 13 -0.545 -6.570 0.022 1.00 0.00 C ATOM 0 H ALA A 13 1.645 -7.187 1.747 1.00 0.00 H new ATOM 0 HA ALA A 13 0.526 -8.211 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.862 -6.200 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.326 -7.204 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.366 -5.727 0.689 1.00 0.00 H new ATOM 170 N LYS A 14 1.843 -6.478 -2.080 1.00 0.00 N ATOM 171 CA LYS A 14 2.856 -5.733 -2.807 1.00 0.00 C ATOM 172 C LYS A 14 2.187 -4.597 -3.584 1.00 0.00 C ATOM 173 O LYS A 14 1.217 -4.820 -4.305 1.00 0.00 O ATOM 174 CB LYS A 14 3.686 -6.672 -3.685 1.00 0.00 C ATOM 175 CG LYS A 14 4.430 -5.893 -4.771 1.00 0.00 C ATOM 176 CD LYS A 14 5.102 -6.843 -5.764 1.00 0.00 C ATOM 177 CE LYS A 14 4.129 -7.260 -6.869 1.00 0.00 C ATOM 178 NZ LYS A 14 3.854 -6.123 -7.775 1.00 0.00 N ATOM 0 H LYS A 14 1.131 -6.913 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 14 3.562 -5.275 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.401 -7.215 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.035 -7.414 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.733 -5.243 -5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.181 -5.250 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.972 -6.357 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.463 -7.728 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.548 -8.091 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.198 -7.614 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.503 -6.482 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.137 -5.504 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.729 -5.583 -7.930 1.00 0.00 H new ATOM 192 N ALA A 15 2.733 -3.402 -3.409 1.00 0.00 N ATOM 193 CA ALA A 15 2.201 -2.230 -4.084 1.00 0.00 C ATOM 194 C ALA A 15 2.413 -2.377 -5.593 1.00 0.00 C ATOM 195 O ALA A 15 3.531 -2.612 -6.047 1.00 0.00 O ATOM 196 CB ALA A 15 2.865 -0.972 -3.522 1.00 0.00 C ATOM 0 H ALA A 15 3.538 -3.220 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 15 1.129 -2.139 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.466 -0.093 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.661 -0.899 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.942 -1.026 -3.683 1.00 0.00 H new ATOM 202 N LEU A 16 1.320 -2.232 -6.328 1.00 0.00 N ATOM 203 CA LEU A 16 1.371 -2.346 -7.775 1.00 0.00 C ATOM 204 C LEU A 16 1.999 -1.079 -8.360 1.00 0.00 C ATOM 205 O LEU A 16 2.824 -1.153 -9.269 1.00 0.00 O ATOM 206 CB LEU A 16 -0.017 -2.660 -8.338 1.00 0.00 C ATOM 207 CG LEU A 16 -0.638 -3.984 -7.889 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.129 -4.032 -8.227 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.122 -5.174 -8.477 1.00 0.00 C ATOM 0 H LEU A 16 0.394 -2.037 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 16 2.005 -3.182 -8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.692 -1.851 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.046 -2.661 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.551 -4.052 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.546 -4.983 -7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.643 -3.215 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.261 -3.932 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.340 -6.102 -8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.090 -5.125 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.159 -5.144 -8.143 1.00 0.00 H new ATOM 221 N TYR A 17 1.584 0.055 -7.814 1.00 0.00 N ATOM 222 CA TYR A 17 2.095 1.336 -8.270 1.00 0.00 C ATOM 223 C TYR A 17 2.538 2.202 -7.089 1.00 0.00 C ATOM 224 O TYR A 17 2.122 1.970 -5.954 1.00 0.00 O ATOM 225 CB TYR A 17 0.930 2.026 -8.983 1.00 0.00 C ATOM 226 CG TYR A 17 0.223 1.146 -10.016 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.816 0.325 -9.627 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.625 1.173 -11.335 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.481 -0.504 -10.600 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.040 0.344 -12.308 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.060 -0.453 -11.892 1.00 0.00 C ATOM 232 OH TYR A 17 -1.688 -1.235 -12.810 1.00 0.00 O ATOM 0 H TYR A 17 0.900 0.113 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 17 2.959 1.194 -8.920 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.203 2.350 -8.239 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.301 2.923 -9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.130 0.304 -8.594 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.438 1.816 -11.639 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.295 -1.151 -10.310 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.265 0.355 -13.344 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.283 -1.095 -13.691 1.00 0.00 H new ATOM 242 N ALA A 18 3.378 3.180 -7.395 1.00 0.00 N ATOM 243 CA ALA A 18 3.882 4.081 -6.373 1.00 0.00 C ATOM 244 C ALA A 18 2.817 5.131 -6.054 1.00 0.00 C ATOM 245 O ALA A 18 2.302 5.791 -6.955 1.00 0.00 O ATOM 246 CB ALA A 18 5.195 4.707 -6.847 1.00 0.00 C ATOM 0 H ALA A 18 3.722 3.368 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 18 4.094 3.537 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.573 5.383 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.927 3.921 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.021 5.264 -7.768 1.00 0.00 H new ATOM 252 N CYS A 19 2.518 5.254 -4.769 1.00 0.00 N ATOM 253 CA CYS A 19 1.523 6.213 -4.320 1.00 0.00 C ATOM 254 C CYS A 19 2.174 7.129 -3.281 1.00 0.00 C ATOM 255 O CYS A 19 2.916 6.665 -2.417 1.00 0.00 O ATOM 256 CB CYS A 19 0.277 5.518 -3.767 1.00 0.00 C ATOM 257 SG CYS A 19 -1.187 6.594 -3.984 1.00 0.00 S ATOM 0 H CYS A 19 2.948 4.705 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 19 1.181 6.809 -5.166 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.121 4.570 -4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.417 5.289 -2.711 1.00 0.00 H new ATOM 0 HG CYS A 19 -2.240 5.994 -3.514 1.00 0.00 H new ATOM 263 N LYS A 20 1.871 8.413 -3.400 1.00 0.00 N ATOM 264 CA LYS A 20 2.417 9.399 -2.483 1.00 0.00 C ATOM 265 C LYS A 20 1.297 9.931 -1.587 1.00 0.00 C ATOM 266 O LYS A 20 0.778 11.023 -1.818 1.00 0.00 O ATOM 267 CB LYS A 20 3.162 10.492 -3.252 1.00 0.00 C ATOM 268 CG LYS A 20 4.177 11.200 -2.352 1.00 0.00 C ATOM 269 CD LYS A 20 5.103 12.100 -3.173 1.00 0.00 C ATOM 270 CE LYS A 20 4.413 13.420 -3.525 1.00 0.00 C ATOM 271 NZ LYS A 20 5.170 14.564 -2.970 1.00 0.00 N ATOM 0 H LYS A 20 1.254 8.794 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 20 3.159 8.941 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.674 10.054 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.449 11.218 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.653 11.796 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.768 10.460 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.014 12.301 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.400 11.585 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.335 13.519 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.397 13.423 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.688 15.452 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.223 14.476 -1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.131 14.569 -3.367 1.00 0.00 H new ATOM 350 N GLU A 26 -3.208 7.579 5.309 1.00 0.00 N ATOM 351 CA GLU A 26 -2.711 6.854 4.152 1.00 0.00 C ATOM 352 C GLU A 26 -1.215 6.571 4.305 1.00 0.00 C ATOM 353 O GLU A 26 -0.530 7.237 5.080 1.00 0.00 O ATOM 354 CB GLU A 26 -2.993 7.624 2.860 1.00 0.00 C ATOM 355 CG GLU A 26 -4.466 7.505 2.462 1.00 0.00 C ATOM 356 CD GLU A 26 -4.637 7.635 0.947 1.00 0.00 C ATOM 357 OE1 GLU A 26 -4.031 6.805 0.235 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.369 8.561 0.536 1.00 0.00 O ATOM 0 HA GLU A 26 -3.237 5.901 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.732 8.674 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.363 7.239 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.860 6.545 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.046 8.279 2.965 1.00 0.00 H new ATOM 365 N LEU A 27 -0.752 5.583 3.555 1.00 0.00 N ATOM 366 CA LEU A 27 0.650 5.203 3.598 1.00 0.00 C ATOM 367 C LEU A 27 1.297 5.505 2.245 1.00 0.00 C ATOM 368 O LEU A 27 0.648 5.400 1.205 1.00 0.00 O ATOM 369 CB LEU A 27 0.798 3.746 4.039 1.00 0.00 C ATOM 370 CG LEU A 27 0.196 3.393 5.400 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.000 1.882 5.538 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.041 3.967 6.539 1.00 0.00 C ATOM 0 H LEU A 27 -1.323 5.033 2.913 1.00 0.00 H new ATOM 0 HA LEU A 27 1.181 5.793 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.336 3.110 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.859 3.499 4.058 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.790 3.853 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.429 1.658 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.673 1.530 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.963 1.380 5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.591 3.701 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.050 3.557 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.086 5.052 6.448 1.00 0.00 H new ATOM 384 N SER A 28 2.568 5.874 2.302 1.00 0.00 N ATOM 385 CA SER A 28 3.310 6.192 1.093 1.00 0.00 C ATOM 386 C SER A 28 4.381 5.128 0.842 1.00 0.00 C ATOM 387 O SER A 28 5.106 4.743 1.758 1.00 0.00 O ATOM 388 CB SER A 28 3.951 7.578 1.189 1.00 0.00 C ATOM 389 OG SER A 28 3.072 8.533 1.776 1.00 0.00 O ATOM 0 H SER A 28 3.103 5.960 3.166 1.00 0.00 H new ATOM 0 HA SER A 28 2.612 6.201 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.865 7.515 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.239 7.914 0.193 1.00 0.00 H new ATOM 0 HG SER A 28 3.519 9.404 1.821 1.00 0.00 H new ATOM 395 N PHE A 29 4.446 4.683 -0.404 1.00 0.00 N ATOM 396 CA PHE A 29 5.416 3.671 -0.788 1.00 0.00 C ATOM 397 C PHE A 29 5.654 3.684 -2.299 1.00 0.00 C ATOM 398 O PHE A 29 5.171 4.573 -2.999 1.00 0.00 O ATOM 399 CB PHE A 29 4.831 2.316 -0.387 1.00 0.00 C ATOM 400 CG PHE A 29 3.342 2.162 -0.706 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.944 1.876 -1.974 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.417 2.312 0.280 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.562 1.734 -2.270 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.035 2.170 -0.016 1.00 0.00 C ATOM 405 CZ PHE A 29 0.637 1.884 -1.284 1.00 0.00 C ATOM 0 H PHE A 29 3.843 5.005 -1.161 1.00 0.00 H new ATOM 0 HA PHE A 29 6.369 3.864 -0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.385 1.528 -0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.980 2.170 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.679 1.757 -2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.733 2.539 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.246 1.507 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.300 2.289 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.414 1.776 -1.509 1.00 0.00 H new ATOM 415 N THR A 30 6.398 2.689 -2.758 1.00 0.00 N ATOM 416 CA THR A 30 6.706 2.575 -4.173 1.00 0.00 C ATOM 417 C THR A 30 6.308 1.193 -4.696 1.00 0.00 C ATOM 418 O THR A 30 6.224 0.235 -3.928 1.00 0.00 O ATOM 419 CB THR A 30 8.191 2.891 -4.361 1.00 0.00 C ATOM 420 OG1 THR A 30 8.860 1.789 -3.754 1.00 0.00 O ATOM 421 CG2 THR A 30 8.641 4.100 -3.539 1.00 0.00 C ATOM 0 H THR A 30 6.797 1.954 -2.174 1.00 0.00 H new ATOM 0 HA THR A 30 6.130 3.289 -4.762 1.00 0.00 H new ATOM 0 HB THR A 30 8.392 3.075 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.829 1.911 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.702 4.281 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.070 4.978 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.471 3.904 -2.480 1.00 0.00 H new ATOM 429 N ALA A 31 6.073 1.133 -5.998 1.00 0.00 N ATOM 430 CA ALA A 31 5.686 -0.116 -6.632 1.00 0.00 C ATOM 431 C ALA A 31 6.709 -1.199 -6.282 1.00 0.00 C ATOM 432 O ALA A 31 7.913 -0.987 -6.416 1.00 0.00 O ATOM 433 CB ALA A 31 5.556 0.097 -8.142 1.00 0.00 C ATOM 0 H ALA A 31 6.143 1.929 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 31 4.715 -0.448 -6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.266 -0.840 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.797 0.854 -8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.512 0.428 -8.546 1.00 0.00 H new ATOM 439 N GLY A 32 6.191 -2.336 -5.840 1.00 0.00 N ATOM 440 CA GLY A 32 7.044 -3.452 -5.470 1.00 0.00 C ATOM 441 C GLY A 32 7.211 -3.534 -3.951 1.00 0.00 C ATOM 442 O GLY A 32 7.722 -4.526 -3.432 1.00 0.00 O ATOM 0 H GLY A 32 5.192 -2.508 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.615 -4.382 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.020 -3.340 -5.941 1.00 0.00 H new ATOM 446 N THR A 33 6.770 -2.479 -3.282 1.00 0.00 N ATOM 447 CA THR A 33 6.865 -2.420 -1.833 1.00 0.00 C ATOM 448 C THR A 33 5.922 -3.442 -1.194 1.00 0.00 C ATOM 449 O THR A 33 4.713 -3.401 -1.418 1.00 0.00 O ATOM 450 CB THR A 33 6.583 -0.980 -1.400 1.00 0.00 C ATOM 451 OG1 THR A 33 7.768 -0.272 -1.756 1.00 0.00 O ATOM 452 CG2 THR A 33 6.504 -0.830 0.121 1.00 0.00 C ATOM 0 H THR A 33 6.346 -1.659 -3.716 1.00 0.00 H new ATOM 0 HA THR A 33 7.864 -2.689 -1.491 1.00 0.00 H new ATOM 0 HB THR A 33 5.648 -0.644 -1.847 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.630 0.188 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.302 0.211 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.702 -1.459 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.451 -1.135 0.566 1.00 0.00 H new ATOM 460 N VAL A 34 6.510 -4.334 -0.412 1.00 0.00 N ATOM 461 CA VAL A 34 5.738 -5.365 0.260 1.00 0.00 C ATOM 462 C VAL A 34 5.321 -4.863 1.644 1.00 0.00 C ATOM 463 O VAL A 34 6.148 -4.350 2.397 1.00 0.00 O ATOM 464 CB VAL A 34 6.538 -6.668 0.313 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.899 -7.665 1.282 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.685 -7.278 -1.083 1.00 0.00 C ATOM 0 H VAL A 34 7.513 -4.364 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 34 4.826 -5.582 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 34 7.536 -6.433 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.487 -8.582 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.869 -7.232 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.884 -7.891 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.258 -8.203 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.698 -7.491 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.205 -6.575 -1.734 1.00 0.00 H new ATOM 476 N PHE A 35 4.040 -5.029 1.938 1.00 0.00 N ATOM 477 CA PHE A 35 3.504 -4.599 3.218 1.00 0.00 C ATOM 478 C PHE A 35 3.361 -5.782 4.178 1.00 0.00 C ATOM 479 O PHE A 35 2.926 -6.861 3.778 1.00 0.00 O ATOM 480 CB PHE A 35 2.120 -4.006 2.947 1.00 0.00 C ATOM 481 CG PHE A 35 2.124 -2.845 1.952 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.335 -1.575 2.389 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.916 -3.082 0.629 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.339 -0.497 1.465 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.920 -2.004 -0.295 1.00 0.00 C ATOM 486 CZ PHE A 35 2.132 -0.734 0.142 1.00 0.00 C ATOM 0 H PHE A 35 3.357 -5.456 1.311 1.00 0.00 H new ATOM 0 HA PHE A 35 4.175 -3.873 3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.467 -4.793 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.693 -3.662 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.500 -1.386 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.748 -4.091 0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.506 0.512 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.755 -2.193 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.136 0.086 -0.561 1.00 0.00 H new ATOM 496 N ASP A 36 3.735 -5.539 5.425 1.00 0.00 N ATOM 497 CA ASP A 36 3.653 -6.571 6.445 1.00 0.00 C ATOM 498 C ASP A 36 2.252 -6.566 7.059 1.00 0.00 C ATOM 499 O ASP A 36 1.656 -5.506 7.246 1.00 0.00 O ATOM 500 CB ASP A 36 4.663 -6.318 7.567 1.00 0.00 C ATOM 501 CG ASP A 36 5.919 -7.190 7.516 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.022 -7.980 6.553 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.747 -7.047 8.441 1.00 0.00 O ATOM 0 H ASP A 36 4.096 -4.643 5.753 1.00 0.00 H new ATOM 0 HA ASP A 36 3.871 -7.529 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.964 -5.271 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.167 -6.477 8.524 1.00 0.00 H new ATOM 508 N ASN A 37 1.767 -7.762 7.357 1.00 0.00 N ATOM 509 CA ASN A 37 0.447 -7.908 7.947 1.00 0.00 C ATOM 510 C ASN A 37 -0.535 -6.982 7.225 1.00 0.00 C ATOM 511 O ASN A 37 -0.729 -5.838 7.634 1.00 0.00 O ATOM 512 CB ASN A 37 0.459 -7.523 9.427 1.00 0.00 C ATOM 513 CG ASN A 37 -0.273 -8.568 10.272 1.00 0.00 C ATOM 514 OD1 ASN A 37 0.293 -9.209 11.141 1.00 0.00 O ATOM 515 ND2 ASN A 37 -1.561 -8.703 9.968 1.00 0.00 N ATOM 0 H ASN A 37 2.264 -8.639 7.201 1.00 0.00 H new ATOM 0 HA ASN A 37 0.148 -8.951 7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.488 -7.427 9.773 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.013 -6.549 9.557 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.137 -9.375 10.475 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.973 -8.134 9.228 1.00 0.00 H new ATOM 522 N VAL A 38 -1.128 -7.511 6.165 1.00 0.00 N ATOM 523 CA VAL A 38 -2.084 -6.746 5.383 1.00 0.00 C ATOM 524 C VAL A 38 -3.499 -7.239 5.692 1.00 0.00 C ATOM 525 O VAL A 38 -3.706 -8.425 5.944 1.00 0.00 O ATOM 526 CB VAL A 38 -1.732 -6.832 3.897 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.854 -6.251 3.034 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.401 -6.136 3.607 1.00 0.00 C ATOM 0 H VAL A 38 -0.965 -8.460 5.829 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.041 -5.691 5.653 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.622 -7.885 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.579 -6.324 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.774 -6.810 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.010 -5.205 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.175 -6.212 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.471 -5.085 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.392 -6.614 4.182 1.00 0.00 H new ATOM 538 N HIS A 39 -4.437 -6.304 5.662 1.00 0.00 N ATOM 539 CA HIS A 39 -5.827 -6.629 5.936 1.00 0.00 C ATOM 540 C HIS A 39 -6.722 -5.473 5.483 1.00 0.00 C ATOM 541 O HIS A 39 -6.256 -4.346 5.327 1.00 0.00 O ATOM 542 CB HIS A 39 -6.021 -6.987 7.410 1.00 0.00 C ATOM 543 CG HIS A 39 -5.634 -5.884 8.366 1.00 0.00 C ATOM 544 ND1 HIS A 39 -4.967 -6.122 9.556 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.827 -4.536 8.296 1.00 0.00 C ATOM 546 CE1 HIS A 39 -4.773 -4.962 10.166 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.307 -3.980 9.384 1.00 0.00 N ATOM 0 H HIS A 39 -4.262 -5.321 5.452 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.117 -7.512 5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.066 -7.247 7.576 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.432 -7.875 7.638 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.675 -7.035 9.904 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.319 -4.010 7.492 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.279 -4.819 11.116 1.00 0.00 H new ATOM 555 N PRO A 40 -8.026 -5.803 5.280 1.00 0.00 N ATOM 556 CA PRO A 40 -8.991 -4.806 4.849 1.00 0.00 C ATOM 557 C PRO A 40 -9.370 -3.874 6.003 1.00 0.00 C ATOM 558 O PRO A 40 -10.002 -4.301 6.968 1.00 0.00 O ATOM 559 CB PRO A 40 -10.171 -5.604 4.318 1.00 0.00 C ATOM 560 CG PRO A 40 -10.021 -7.002 4.896 1.00 0.00 C ATOM 561 CD PRO A 40 -8.614 -7.127 5.455 1.00 0.00 C ATOM 0 HA PRO A 40 -8.596 -4.144 4.078 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.116 -5.154 4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.167 -5.629 3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.759 -7.172 5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.194 -7.754 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.630 -7.417 6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.043 -7.887 4.923 1.00 0.00 H new ATOM 569 N SER A 41 -8.968 -2.620 5.864 1.00 0.00 N ATOM 570 CA SER A 41 -9.257 -1.624 6.883 1.00 0.00 C ATOM 571 C SER A 41 -10.768 -1.514 7.092 1.00 0.00 C ATOM 572 O SER A 41 -11.507 -2.460 6.822 1.00 0.00 O ATOM 573 CB SER A 41 -8.673 -0.262 6.503 1.00 0.00 C ATOM 574 OG SER A 41 -8.299 0.497 7.650 1.00 0.00 O ATOM 0 H SER A 41 -8.445 -2.270 5.062 1.00 0.00 H new ATOM 0 HA SER A 41 -8.790 -1.942 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.802 -0.407 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.406 0.297 5.921 1.00 0.00 H new ATOM 0 HG SER A 41 -8.640 0.059 8.458 1.00 0.00 H new ATOM 580 N GLN A 42 -11.184 -0.352 7.573 1.00 0.00 N ATOM 581 CA GLN A 42 -12.594 -0.106 7.822 1.00 0.00 C ATOM 582 C GLN A 42 -13.254 0.500 6.582 1.00 0.00 C ATOM 583 O GLN A 42 -14.457 0.346 6.377 1.00 0.00 O ATOM 584 CB GLN A 42 -12.786 0.797 9.042 1.00 0.00 C ATOM 585 CG GLN A 42 -14.222 0.716 9.564 1.00 0.00 C ATOM 586 CD GLN A 42 -14.474 -0.617 10.272 1.00 0.00 C ATOM 587 OE1 GLN A 42 -14.985 -1.566 9.700 1.00 0.00 O ATOM 588 NE2 GLN A 42 -14.089 -0.635 11.544 1.00 0.00 N ATOM 0 H GLN A 42 -10.569 0.430 7.797 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.077 -1.059 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.092 0.503 9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.549 1.827 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.409 1.539 10.254 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.921 0.829 8.735 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.668 0.195 11.961 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.215 -1.479 12.103 1.00 0.00 H new ATOM 597 N GLU A 43 -12.439 1.177 5.788 1.00 0.00 N ATOM 598 CA GLU A 43 -12.928 1.808 4.574 1.00 0.00 C ATOM 599 C GLU A 43 -13.025 0.780 3.444 1.00 0.00 C ATOM 600 O GLU A 43 -12.227 -0.153 3.379 1.00 0.00 O ATOM 601 CB GLU A 43 -12.038 2.985 4.169 1.00 0.00 C ATOM 602 CG GLU A 43 -12.808 4.305 4.242 1.00 0.00 C ATOM 603 CD GLU A 43 -12.912 4.955 2.861 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.841 5.193 2.263 1.00 0.00 O ATOM 605 OE2 GLU A 43 -14.061 5.200 2.434 1.00 0.00 O ATOM 0 H GLU A 43 -11.442 1.303 5.962 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.926 2.201 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.168 3.030 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.666 2.832 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.807 4.126 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.307 4.985 4.931 1.00 0.00 H new ATOM 612 N PRO A 44 -14.036 0.992 2.559 1.00 0.00 N ATOM 613 CA PRO A 44 -14.248 0.096 1.436 1.00 0.00 C ATOM 614 C PRO A 44 -13.199 0.325 0.346 1.00 0.00 C ATOM 615 O PRO A 44 -13.043 1.442 -0.146 1.00 0.00 O ATOM 616 CB PRO A 44 -15.665 0.381 0.966 1.00 0.00 C ATOM 617 CG PRO A 44 -16.028 1.742 1.539 1.00 0.00 C ATOM 618 CD PRO A 44 -15.000 2.088 2.605 1.00 0.00 C ATOM 0 HA PRO A 44 -14.137 -0.953 1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.722 0.388 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.355 -0.387 1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.033 2.498 0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.030 1.721 1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.522 3.045 2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.462 2.169 3.589 1.00 0.00 H new ATOM 626 N GLY A 45 -12.506 -0.750 0.000 1.00 0.00 N ATOM 627 CA GLY A 45 -11.476 -0.680 -1.023 1.00 0.00 C ATOM 628 C GLY A 45 -10.190 -0.068 -0.465 1.00 0.00 C ATOM 629 O GLY A 45 -9.358 0.434 -1.219 1.00 0.00 O ATOM 0 H GLY A 45 -12.638 -1.675 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.271 -1.679 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.832 -0.083 -1.863 1.00 0.00 H new ATOM 633 N TRP A 46 -10.067 -0.129 0.853 1.00 0.00 N ATOM 634 CA TRP A 46 -8.896 0.413 1.521 1.00 0.00 C ATOM 635 C TRP A 46 -8.356 -0.658 2.472 1.00 0.00 C ATOM 636 O TRP A 46 -9.094 -1.183 3.304 1.00 0.00 O ATOM 637 CB TRP A 46 -9.228 1.728 2.229 1.00 0.00 C ATOM 638 CG TRP A 46 -9.415 2.915 1.282 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.563 3.479 0.883 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.370 3.665 0.627 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.336 4.534 0.022 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.960 4.650 -0.138 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.973 3.516 0.679 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.229 5.562 -0.909 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.257 4.435 -0.097 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.836 5.433 -0.872 1.00 0.00 C ATOM 0 H TRP A 46 -10.759 -0.545 1.476 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.119 0.660 0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.139 1.595 2.812 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.430 1.961 2.934 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.543 3.150 1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.047 5.120 -0.416 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.490 2.753 1.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.714 6.324 -1.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.179 4.364 -0.093 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.214 6.106 -1.443 1.00 0.00 H new ATOM 657 N LEU A 47 -7.073 -0.949 2.316 1.00 0.00 N ATOM 658 CA LEU A 47 -6.426 -1.948 3.150 1.00 0.00 C ATOM 659 C LEU A 47 -5.638 -1.247 4.259 1.00 0.00 C ATOM 660 O LEU A 47 -5.273 -0.080 4.124 1.00 0.00 O ATOM 661 CB LEU A 47 -5.577 -2.892 2.295 1.00 0.00 C ATOM 662 CG LEU A 47 -6.299 -3.574 1.132 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.323 -4.394 0.285 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.471 -4.420 1.634 1.00 0.00 C ATOM 0 H LEU A 47 -6.464 -0.511 1.625 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.170 -2.578 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.735 -2.328 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.163 -3.665 2.943 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.713 -2.799 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.862 -4.868 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.552 -3.738 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.858 -5.161 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.967 -4.894 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.101 -5.188 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.181 -3.782 2.160 1.00 0.00 H new ATOM 676 N GLU A 48 -5.399 -1.989 5.330 1.00 0.00 N ATOM 677 CA GLU A 48 -4.661 -1.454 6.462 1.00 0.00 C ATOM 678 C GLU A 48 -3.511 -2.390 6.836 1.00 0.00 C ATOM 679 O GLU A 48 -3.720 -3.397 7.512 1.00 0.00 O ATOM 680 CB GLU A 48 -5.586 -1.216 7.657 1.00 0.00 C ATOM 681 CG GLU A 48 -4.901 -0.354 8.718 1.00 0.00 C ATOM 682 CD GLU A 48 -5.930 0.419 9.545 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.833 -0.248 10.094 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.790 1.659 9.610 1.00 0.00 O ATOM 0 H GLU A 48 -5.703 -2.957 5.438 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.240 -0.491 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.501 -0.727 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.877 -2.172 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.303 -0.986 9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.216 0.345 8.237 1.00 0.00 H new ATOM 691 N GLY A 49 -2.321 -2.026 6.381 1.00 0.00 N ATOM 692 CA GLY A 49 -1.137 -2.821 6.660 1.00 0.00 C ATOM 693 C GLY A 49 -0.102 -2.008 7.439 1.00 0.00 C ATOM 694 O GLY A 49 -0.365 -0.872 7.830 1.00 0.00 O ATOM 0 H GLY A 49 -2.151 -1.191 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.415 -3.706 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.701 -3.171 5.724 1.00 0.00 H new ATOM 698 N THR A 50 1.055 -2.622 7.642 1.00 0.00 N ATOM 699 CA THR A 50 2.131 -1.969 8.368 1.00 0.00 C ATOM 700 C THR A 50 3.349 -1.782 7.461 1.00 0.00 C ATOM 701 O THR A 50 3.993 -2.755 7.072 1.00 0.00 O ATOM 702 CB THR A 50 2.428 -2.798 9.620 1.00 0.00 C ATOM 703 OG1 THR A 50 1.170 -2.888 10.283 1.00 0.00 O ATOM 704 CG2 THR A 50 3.322 -2.055 10.615 1.00 0.00 C ATOM 0 H THR A 50 1.270 -3.564 7.316 1.00 0.00 H new ATOM 0 HA THR A 50 1.843 -0.967 8.685 1.00 0.00 H new ATOM 0 HB THR A 50 2.906 -3.734 9.331 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.909 -2.002 10.611 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.502 -2.687 11.485 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.272 -1.813 10.140 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.829 -1.135 10.930 1.00 0.00 H new ATOM 712 N LEU A 51 3.627 -0.524 7.150 1.00 0.00 N ATOM 713 CA LEU A 51 4.756 -0.197 6.296 1.00 0.00 C ATOM 714 C LEU A 51 5.823 0.524 7.122 1.00 0.00 C ATOM 715 O LEU A 51 5.692 1.712 7.411 1.00 0.00 O ATOM 716 CB LEU A 51 4.289 0.593 5.071 1.00 0.00 C ATOM 717 CG LEU A 51 5.376 1.359 4.313 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.214 0.413 3.451 1.00 0.00 C ATOM 719 CD2 LEU A 51 4.771 2.499 3.492 1.00 0.00 C ATOM 0 H LEU A 51 3.090 0.280 7.474 1.00 0.00 H new ATOM 0 HA LEU A 51 5.215 -1.106 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.809 -0.099 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.527 1.304 5.390 1.00 0.00 H new ATOM 0 HG LEU A 51 6.049 1.810 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.979 0.983 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.691 -0.332 4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.570 -0.087 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.564 3.027 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.063 2.092 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.254 3.191 4.156 1.00 0.00 H new ATOM 731 N ASN A 52 6.856 -0.226 7.479 1.00 0.00 N ATOM 732 CA ASN A 52 7.945 0.327 8.266 1.00 0.00 C ATOM 733 C ASN A 52 7.400 0.815 9.610 1.00 0.00 C ATOM 734 O ASN A 52 7.262 2.018 9.828 1.00 0.00 O ATOM 735 CB ASN A 52 8.588 1.519 7.555 1.00 0.00 C ATOM 736 CG ASN A 52 9.809 1.080 6.744 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.938 1.114 7.204 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.520 0.668 5.513 1.00 0.00 N ATOM 0 H ASN A 52 6.961 -1.211 7.238 1.00 0.00 H new ATOM 0 HA ASN A 52 8.692 -0.455 8.406 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.859 1.990 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.885 2.268 8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.266 0.355 4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.552 0.665 5.190 1.00 0.00 H new ATOM 745 N GLY A 53 7.106 -0.143 10.476 1.00 0.00 N ATOM 746 CA GLY A 53 6.579 0.174 11.793 1.00 0.00 C ATOM 747 C GLY A 53 5.597 1.345 11.723 1.00 0.00 C ATOM 748 O GLY A 53 5.554 2.179 12.626 1.00 0.00 O ATOM 0 H GLY A 53 7.223 -1.139 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.079 -0.701 12.209 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.399 0.422 12.467 1.00 0.00 H new ATOM 752 N LYS A 54 4.831 1.370 10.642 1.00 0.00 N ATOM 753 CA LYS A 54 3.852 2.424 10.442 1.00 0.00 C ATOM 754 C LYS A 54 2.593 1.832 9.805 1.00 0.00 C ATOM 755 O LYS A 54 2.654 1.258 8.719 1.00 0.00 O ATOM 756 CB LYS A 54 4.462 3.577 9.642 1.00 0.00 C ATOM 757 CG LYS A 54 3.647 4.860 9.821 1.00 0.00 C ATOM 758 CD LYS A 54 4.296 6.030 9.080 1.00 0.00 C ATOM 759 CE LYS A 54 3.933 6.007 7.594 1.00 0.00 C ATOM 760 NZ LYS A 54 3.403 7.322 7.169 1.00 0.00 N ATOM 0 H LYS A 54 4.869 0.676 9.895 1.00 0.00 H new ATOM 0 HA LYS A 54 3.554 2.853 11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.489 3.746 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.501 3.311 8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.634 4.706 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.564 5.098 10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.970 6.971 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.379 5.982 9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.813 5.755 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.190 5.231 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.162 7.289 6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.551 7.548 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.123 8.055 7.329 1.00 0.00 H new ATOM 774 N THR A 55 1.482 1.992 10.508 1.00 0.00 N ATOM 775 CA THR A 55 0.211 1.480 10.025 1.00 0.00 C ATOM 776 C THR A 55 -0.653 2.621 9.484 1.00 0.00 C ATOM 777 O THR A 55 -0.676 3.711 10.054 1.00 0.00 O ATOM 778 CB THR A 55 -0.452 0.706 11.166 1.00 0.00 C ATOM 779 OG1 THR A 55 0.198 -0.562 11.148 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.918 0.377 10.877 1.00 0.00 C ATOM 0 H THR A 55 1.435 2.469 11.408 1.00 0.00 H new ATOM 0 HA THR A 55 0.353 0.796 9.188 1.00 0.00 H new ATOM 0 HB THR A 55 -0.385 1.287 12.086 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.170 -1.128 11.858 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.340 -0.172 11.718 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.476 1.302 10.730 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.983 -0.233 9.976 1.00 0.00 H new ATOM 788 N GLY A 56 -1.343 2.332 8.390 1.00 0.00 N ATOM 789 CA GLY A 56 -2.206 3.320 7.766 1.00 0.00 C ATOM 790 C GLY A 56 -3.118 2.671 6.724 1.00 0.00 C ATOM 791 O GLY A 56 -3.191 1.446 6.634 1.00 0.00 O ATOM 0 H GLY A 56 -1.322 1.427 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.811 3.813 8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.599 4.092 7.293 1.00 0.00 H new ATOM 795 N LEU A 57 -3.793 3.521 5.963 1.00 0.00 N ATOM 796 CA LEU A 57 -4.698 3.045 4.931 1.00 0.00 C ATOM 797 C LEU A 57 -3.920 2.847 3.628 1.00 0.00 C ATOM 798 O LEU A 57 -2.987 3.595 3.338 1.00 0.00 O ATOM 799 CB LEU A 57 -5.897 3.986 4.794 1.00 0.00 C ATOM 800 CG LEU A 57 -6.765 4.151 6.043 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.947 5.083 5.769 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.219 2.792 6.579 1.00 0.00 C ATOM 0 H LEU A 57 -3.731 4.536 6.041 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.113 2.075 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.530 4.969 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.528 3.623 3.982 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.160 4.617 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.548 5.183 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.576 6.063 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.560 4.667 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.834 2.938 7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.801 2.276 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.346 2.193 6.837 1.00 0.00 H new ATOM 814 N ILE A 58 -4.332 1.835 2.878 1.00 0.00 N ATOM 815 CA ILE A 58 -3.686 1.529 1.613 1.00 0.00 C ATOM 816 C ILE A 58 -4.754 1.247 0.555 1.00 0.00 C ATOM 817 O ILE A 58 -5.766 0.611 0.844 1.00 0.00 O ATOM 818 CB ILE A 58 -2.678 0.392 1.788 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.679 0.711 2.903 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.978 0.071 0.466 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.986 -0.560 3.399 1.00 0.00 C ATOM 0 H ILE A 58 -5.105 1.217 3.122 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.109 2.385 1.263 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.222 -0.503 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.933 1.417 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.196 1.195 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.267 -0.741 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.719 -0.230 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.449 0.955 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.282 -0.305 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.732 -1.254 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.450 -1.028 2.573 1.00 0.00 H new ATOM 833 N PRO A 59 -4.485 1.747 -0.681 1.00 0.00 N ATOM 834 CA PRO A 59 -5.411 1.555 -1.784 1.00 0.00 C ATOM 835 C PRO A 59 -5.345 0.121 -2.312 1.00 0.00 C ATOM 836 O PRO A 59 -4.328 -0.295 -2.866 1.00 0.00 O ATOM 837 CB PRO A 59 -5.006 2.589 -2.822 1.00 0.00 C ATOM 838 CG PRO A 59 -3.588 3.006 -2.464 1.00 0.00 C ATOM 839 CD PRO A 59 -3.296 2.505 -1.059 1.00 0.00 C ATOM 0 HA PRO A 59 -6.451 1.692 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.048 2.170 -3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.681 3.445 -2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.876 2.587 -3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.485 4.090 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.404 1.879 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.119 3.333 -0.372 1.00 0.00 H new ATOM 847 N GLU A 60 -6.442 -0.597 -2.121 1.00 0.00 N ATOM 848 CA GLU A 60 -6.522 -1.976 -2.571 1.00 0.00 C ATOM 849 C GLU A 60 -6.291 -2.056 -4.082 1.00 0.00 C ATOM 850 O GLU A 60 -5.920 -3.107 -4.602 1.00 0.00 O ATOM 851 CB GLU A 60 -7.865 -2.601 -2.188 1.00 0.00 C ATOM 852 CG GLU A 60 -8.170 -3.821 -3.060 1.00 0.00 C ATOM 853 CD GLU A 60 -9.130 -4.777 -2.348 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.767 -5.224 -1.239 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.205 -5.039 -2.930 1.00 0.00 O ATOM 0 H GLU A 60 -7.283 -0.249 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.738 -2.546 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.847 -2.895 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.659 -1.862 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.607 -3.497 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.243 -4.342 -3.300 1.00 0.00 H new ATOM 862 N ASN A 61 -6.520 -0.931 -4.743 1.00 0.00 N ATOM 863 CA ASN A 61 -6.341 -0.860 -6.184 1.00 0.00 C ATOM 864 C ASN A 61 -4.897 -0.463 -6.495 1.00 0.00 C ATOM 865 O ASN A 61 -4.596 -0.019 -7.602 1.00 0.00 O ATOM 866 CB ASN A 61 -7.265 0.191 -6.802 1.00 0.00 C ATOM 867 CG ASN A 61 -6.874 1.599 -6.349 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.190 2.037 -5.254 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.171 2.282 -7.248 1.00 0.00 N ATOM 0 H ASN A 61 -6.828 -0.061 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.577 -1.838 -6.602 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.217 0.128 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.297 -0.013 -6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.862 3.232 -7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.940 1.856 -8.146 1.00 0.00 H new ATOM 876 N TYR A 62 -4.041 -0.636 -5.499 1.00 0.00 N ATOM 877 CA TYR A 62 -2.635 -0.301 -5.653 1.00 0.00 C ATOM 878 C TYR A 62 -1.746 -1.343 -4.971 1.00 0.00 C ATOM 879 O TYR A 62 -0.548 -1.124 -4.798 1.00 0.00 O ATOM 880 CB TYR A 62 -2.445 1.048 -4.957 1.00 0.00 C ATOM 881 CG TYR A 62 -1.987 2.170 -5.891 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.719 2.468 -7.022 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.842 2.884 -5.602 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.288 3.524 -7.901 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.411 3.941 -6.481 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.155 4.209 -7.587 1.00 0.00 C ATOM 887 OH TYR A 62 -0.748 5.206 -8.417 1.00 0.00 O ATOM 0 H TYR A 62 -4.294 -1.004 -4.582 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.360 -0.270 -6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.385 1.340 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.713 0.933 -4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.615 1.909 -7.248 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.269 2.650 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.851 3.767 -8.790 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.483 4.508 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 62 0.075 5.608 -8.067 1.00 0.00 H new ATOM 897 N VAL A 63 -2.366 -2.454 -4.602 1.00 0.00 N ATOM 898 CA VAL A 63 -1.646 -3.530 -3.943 1.00 0.00 C ATOM 899 C VAL A 63 -1.960 -4.853 -4.645 1.00 0.00 C ATOM 900 O VAL A 63 -2.841 -4.912 -5.501 1.00 0.00 O ATOM 901 CB VAL A 63 -1.984 -3.550 -2.451 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.269 -2.417 -1.712 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.497 -3.479 -2.231 1.00 0.00 C ATOM 0 H VAL A 63 -3.360 -2.632 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.570 -3.370 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.629 -4.495 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.526 -2.454 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.191 -2.530 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.580 -1.458 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.710 -3.495 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.885 -2.557 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.975 -4.334 -2.709 1.00 0.00 H new ATOM 913 N GLU A 64 -1.221 -5.882 -4.257 1.00 0.00 N ATOM 914 CA GLU A 64 -1.409 -7.200 -4.838 1.00 0.00 C ATOM 915 C GLU A 64 -0.991 -8.284 -3.843 1.00 0.00 C ATOM 916 O GLU A 64 0.166 -8.703 -3.826 1.00 0.00 O ATOM 917 CB GLU A 64 -0.638 -7.335 -6.153 1.00 0.00 C ATOM 918 CG GLU A 64 -0.399 -8.806 -6.500 1.00 0.00 C ATOM 919 CD GLU A 64 -0.567 -9.050 -8.001 1.00 0.00 C ATOM 920 OE1 GLU A 64 -0.071 -8.200 -8.772 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.187 -10.080 -8.342 1.00 0.00 O ATOM 0 H GLU A 64 -0.491 -5.829 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.468 -7.329 -5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.196 -6.854 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.317 -6.817 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.605 -9.098 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.098 -9.432 -5.946 1.00 0.00 H new ATOM 928 N PHE A 65 -1.954 -8.707 -3.038 1.00 0.00 N ATOM 929 CA PHE A 65 -1.700 -9.734 -2.042 1.00 0.00 C ATOM 930 C PHE A 65 -0.827 -10.851 -2.617 1.00 0.00 C ATOM 931 O PHE A 65 -1.030 -11.282 -3.751 1.00 0.00 O ATOM 932 CB PHE A 65 -3.057 -10.317 -1.644 1.00 0.00 C ATOM 933 CG PHE A 65 -3.857 -9.434 -0.685 1.00 0.00 C ATOM 934 CD1 PHE A 65 -4.674 -8.463 -1.175 1.00 0.00 C ATOM 935 CD2 PHE A 65 -3.751 -9.618 0.658 1.00 0.00 C ATOM 936 CE1 PHE A 65 -5.416 -7.643 -0.285 1.00 0.00 C ATOM 937 CE2 PHE A 65 -4.493 -8.798 1.549 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.310 -7.828 1.058 1.00 0.00 C ATOM 0 H PHE A 65 -2.912 -8.357 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.177 -9.303 -1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.647 -10.485 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.900 -11.291 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.758 -8.316 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.102 -10.388 1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.065 -6.872 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.409 -8.945 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.875 -7.204 1.735 1.00 0.00 H new ATOM 948 N LEU A 66 0.127 -11.289 -1.808 1.00 0.00 N ATOM 949 CA LEU A 66 1.032 -12.348 -2.223 1.00 0.00 C ATOM 950 C LEU A 66 0.544 -13.682 -1.653 1.00 0.00 C ATOM 951 O LEU A 66 -0.321 -13.708 -0.779 1.00 0.00 O ATOM 952 CB LEU A 66 2.472 -12.004 -1.836 1.00 0.00 C ATOM 953 CG LEU A 66 2.913 -10.564 -2.105 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.491 -9.923 -0.842 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.891 -10.501 -3.280 1.00 0.00 C ATOM 0 H LEU A 66 0.293 -10.930 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 66 1.033 -12.445 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.601 -12.210 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.142 -12.675 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 66 2.034 -9.984 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.797 -8.900 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.733 -9.916 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.355 -10.496 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.189 -9.466 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.773 -11.100 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.409 -10.892 -4.176 1.00 0.00 H new