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 -68:sc= 0.842 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.744 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 114:sc= 1.19 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0123 (180deg=-0.185) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 93:sc= 0.291 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=-0.15) USER MOD Single : A 39 HIS : no HE2:sc= -7.87! C(o=-7.9!,f=-7!) USER MOD Single : A 41 SER OG : rot -76:sc= 0.231 USER MOD Single : A 42 GLN : amide:sc=-0.00984 K(o=-0.0098,f=-1.9!) USER MOD Single : A 52 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.043) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.985 X(o=-0.99,f=-0.49) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -1.220 -11.879 6.573 1.00 0.00 N ATOM 115 CA ARG A 11 -0.892 -11.884 5.158 1.00 0.00 C ATOM 116 C ARG A 11 -0.100 -10.627 4.791 1.00 0.00 C ATOM 117 O ARG A 11 0.131 -9.766 5.639 1.00 0.00 O ATOM 118 CB ARG A 11 -2.158 -11.949 4.300 1.00 0.00 C ATOM 119 CG ARG A 11 -2.220 -13.259 3.513 1.00 0.00 C ATOM 120 CD ARG A 11 -3.456 -13.299 2.611 1.00 0.00 C ATOM 121 NE ARG A 11 -4.030 -14.663 2.601 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.132 -15.008 1.920 1.00 0.00 C ATOM 123 NH1 ARG A 11 -5.784 -14.093 1.191 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.581 -16.270 1.968 1.00 0.00 N ATOM 0 HA ARG A 11 -0.287 -12.769 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.038 -11.861 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.178 -11.105 3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.320 -13.367 2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.242 -14.102 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.199 -12.585 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.187 -13.001 1.598 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.558 -15.385 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.442 -13.133 1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.622 -14.356 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.084 -16.967 2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.419 -16.533 1.450 1.00 0.00 H new ATOM 138 N LYS A 12 0.295 -10.562 3.528 1.00 0.00 N ATOM 139 CA LYS A 12 1.056 -9.425 3.040 1.00 0.00 C ATOM 140 C LYS A 12 0.436 -8.925 1.733 1.00 0.00 C ATOM 141 O LYS A 12 -0.633 -9.383 1.334 1.00 0.00 O ATOM 142 CB LYS A 12 2.538 -9.785 2.919 1.00 0.00 C ATOM 143 CG LYS A 12 3.084 -10.316 4.246 1.00 0.00 C ATOM 144 CD LYS A 12 4.448 -10.981 4.051 1.00 0.00 C ATOM 145 CE LYS A 12 5.198 -11.092 5.380 1.00 0.00 C ATOM 146 NZ LYS A 12 6.453 -11.857 5.205 1.00 0.00 N ATOM 0 H LYS A 12 0.102 -11.278 2.828 1.00 0.00 H new ATOM 0 HA LYS A 12 1.009 -8.601 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.671 -10.536 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.106 -8.906 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.173 -9.497 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.383 -11.034 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.315 -11.973 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.041 -10.403 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.423 -10.096 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.567 -11.582 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.949 -11.923 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.232 -12.813 4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.061 -11.373 4.514 1.00 0.00 H new ATOM 160 N ALA A 13 1.134 -7.992 1.103 1.00 0.00 N ATOM 161 CA ALA A 13 0.666 -7.424 -0.149 1.00 0.00 C ATOM 162 C ALA A 13 1.778 -6.574 -0.767 1.00 0.00 C ATOM 163 O ALA A 13 2.533 -5.919 -0.050 1.00 0.00 O ATOM 164 CB ALA A 13 -0.612 -6.621 0.100 1.00 0.00 C ATOM 0 H ALA A 13 2.021 -7.615 1.437 1.00 0.00 H new ATOM 0 HA ALA A 13 0.421 -8.213 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.963 -6.195 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.380 -7.277 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.405 -5.818 0.808 1.00 0.00 H new ATOM 170 N LYS A 14 1.843 -6.612 -2.089 1.00 0.00 N ATOM 171 CA LYS A 14 2.850 -5.853 -2.811 1.00 0.00 C ATOM 172 C LYS A 14 2.176 -4.698 -3.556 1.00 0.00 C ATOM 173 O LYS A 14 1.145 -4.888 -4.200 1.00 0.00 O ATOM 174 CB LYS A 14 3.668 -6.774 -3.717 1.00 0.00 C ATOM 175 CG LYS A 14 4.518 -5.965 -4.699 1.00 0.00 C ATOM 176 CD LYS A 14 5.089 -6.862 -5.800 1.00 0.00 C ATOM 177 CE LYS A 14 4.171 -6.879 -7.024 1.00 0.00 C ATOM 178 NZ LYS A 14 4.259 -5.595 -7.755 1.00 0.00 N ATOM 0 H LYS A 14 1.215 -7.157 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 14 3.564 -5.411 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.313 -7.408 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.999 -7.435 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.912 -5.176 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.333 -5.477 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.078 -6.506 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.213 -7.876 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.450 -7.700 -7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.142 -7.057 -6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.904 -5.722 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.685 -4.878 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.250 -5.282 -7.788 1.00 0.00 H new ATOM 192 N ALA A 15 2.786 -3.527 -3.443 1.00 0.00 N ATOM 193 CA ALA A 15 2.257 -2.343 -4.097 1.00 0.00 C ATOM 194 C ALA A 15 2.490 -2.451 -5.605 1.00 0.00 C ATOM 195 O ALA A 15 3.609 -2.711 -6.047 1.00 0.00 O ATOM 196 CB ALA A 15 2.906 -1.095 -3.495 1.00 0.00 C ATOM 0 H ALA A 15 3.641 -3.373 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 15 1.182 -2.263 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.509 -0.206 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.687 -1.049 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.985 -1.139 -3.642 1.00 0.00 H new ATOM 202 N LEU A 16 1.417 -2.248 -6.354 1.00 0.00 N ATOM 203 CA LEU A 16 1.490 -2.320 -7.803 1.00 0.00 C ATOM 204 C LEU A 16 2.143 -1.044 -8.341 1.00 0.00 C ATOM 205 O LEU A 16 3.063 -1.109 -9.154 1.00 0.00 O ATOM 206 CB LEU A 16 0.108 -2.600 -8.397 1.00 0.00 C ATOM 207 CG LEU A 16 -0.575 -3.886 -7.926 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.053 -3.898 -8.323 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.166 -5.121 -8.441 1.00 0.00 C ATOM 0 H LEU A 16 0.491 -2.033 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 16 2.119 -3.155 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.544 -1.759 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.201 -2.638 -9.482 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.533 -3.916 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.515 -4.822 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.559 -3.047 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.139 -3.834 -9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.340 -6.021 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.177 -5.111 -9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.190 -5.113 -8.068 1.00 0.00 H new ATOM 221 N TYR A 17 1.640 0.085 -7.864 1.00 0.00 N ATOM 222 CA TYR A 17 2.163 1.373 -8.286 1.00 0.00 C ATOM 223 C TYR A 17 2.570 2.222 -7.080 1.00 0.00 C ATOM 224 O TYR A 17 2.107 1.985 -5.965 1.00 0.00 O ATOM 225 CB TYR A 17 1.018 2.072 -9.023 1.00 0.00 C ATOM 226 CG TYR A 17 0.298 1.183 -10.039 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.702 0.328 -9.622 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.648 1.236 -11.373 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.379 -0.509 -10.578 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.029 0.399 -12.329 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.010 -0.432 -11.885 1.00 0.00 C ATOM 232 OH TYR A 17 -1.650 -1.222 -12.788 1.00 0.00 O ATOM 0 H TYR A 17 0.876 0.135 -7.190 1.00 0.00 H new ATOM 0 HA TYR A 17 3.046 1.242 -8.912 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.294 2.430 -8.291 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.412 2.949 -9.537 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.977 0.287 -8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.430 1.905 -11.700 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.162 -1.183 -10.264 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.236 0.430 -13.375 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.283 -1.060 -13.682 1.00 0.00 H new ATOM 242 N ALA A 18 3.431 3.194 -7.344 1.00 0.00 N ATOM 243 CA ALA A 18 3.905 4.079 -6.294 1.00 0.00 C ATOM 244 C ALA A 18 2.796 5.066 -5.925 1.00 0.00 C ATOM 245 O ALA A 18 2.208 5.699 -6.800 1.00 0.00 O ATOM 246 CB ALA A 18 5.182 4.783 -6.758 1.00 0.00 C ATOM 0 H ALA A 18 3.813 3.388 -8.270 1.00 0.00 H new ATOM 0 HA ALA A 18 4.153 3.512 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.538 5.447 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.948 4.039 -6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.971 5.365 -7.655 1.00 0.00 H new ATOM 252 N CYS A 19 2.544 5.166 -4.628 1.00 0.00 N ATOM 253 CA CYS A 19 1.516 6.065 -4.133 1.00 0.00 C ATOM 254 C CYS A 19 2.141 6.972 -3.071 1.00 0.00 C ATOM 255 O CYS A 19 3.072 6.568 -2.375 1.00 0.00 O ATOM 256 CB CYS A 19 0.308 5.299 -3.590 1.00 0.00 C ATOM 257 SG CYS A 19 -1.235 5.979 -4.300 1.00 0.00 S ATOM 0 H CYS A 19 3.034 4.639 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 19 1.138 6.675 -4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.397 4.241 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.280 5.371 -2.503 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.553 5.310 -5.369 1.00 0.00 H new ATOM 263 N LYS A 20 1.605 8.180 -2.979 1.00 0.00 N ATOM 264 CA LYS A 20 2.099 9.146 -2.014 1.00 0.00 C ATOM 265 C LYS A 20 0.927 9.680 -1.187 1.00 0.00 C ATOM 266 O LYS A 20 0.090 10.423 -1.697 1.00 0.00 O ATOM 267 CB LYS A 20 2.904 10.241 -2.716 1.00 0.00 C ATOM 268 CG LYS A 20 4.048 10.736 -1.828 1.00 0.00 C ATOM 269 CD LYS A 20 5.289 11.062 -2.662 1.00 0.00 C ATOM 270 CE LYS A 20 6.460 10.156 -2.279 1.00 0.00 C ATOM 271 NZ LYS A 20 6.500 8.962 -3.154 1.00 0.00 N ATOM 0 H LYS A 20 0.833 8.512 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 20 2.790 8.670 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.307 9.857 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.248 11.074 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.730 11.623 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.293 9.975 -1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.062 10.941 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.568 12.105 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.397 10.707 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.364 9.848 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.301 8.358 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.613 8.428 -3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.614 9.261 -4.144 1.00 0.00 H new ATOM 350 N GLU A 26 -3.209 7.629 5.538 1.00 0.00 N ATOM 351 CA GLU A 26 -2.744 6.921 4.357 1.00 0.00 C ATOM 352 C GLU A 26 -1.258 6.582 4.493 1.00 0.00 C ATOM 353 O GLU A 26 -0.572 7.119 5.361 1.00 0.00 O ATOM 354 CB GLU A 26 -3.007 7.737 3.090 1.00 0.00 C ATOM 355 CG GLU A 26 -4.502 7.785 2.768 1.00 0.00 C ATOM 356 CD GLU A 26 -4.753 8.489 1.433 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.778 9.063 0.902 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.915 8.437 0.974 1.00 0.00 O ATOM 0 HA GLU A 26 -3.303 5.989 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.627 8.750 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.465 7.299 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.902 6.772 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.033 8.307 3.564 1.00 0.00 H new ATOM 365 N LEU A 27 -0.805 5.692 3.622 1.00 0.00 N ATOM 366 CA LEU A 27 0.587 5.275 3.633 1.00 0.00 C ATOM 367 C LEU A 27 1.229 5.618 2.288 1.00 0.00 C ATOM 368 O LEU A 27 0.544 5.689 1.269 1.00 0.00 O ATOM 369 CB LEU A 27 0.699 3.796 4.009 1.00 0.00 C ATOM 370 CG LEU A 27 0.093 3.398 5.356 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.070 1.877 5.520 1.00 0.00 C ATOM 372 CD2 LEU A 27 0.822 4.088 6.511 1.00 0.00 C ATOM 0 H LEU A 27 -1.377 5.248 2.904 1.00 0.00 H new ATOM 0 HA LEU A 27 1.142 5.818 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.219 3.206 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.754 3.521 4.012 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.942 3.740 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.366 1.622 6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.528 1.434 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.088 1.490 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.371 3.788 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.873 3.799 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.742 5.169 6.398 1.00 0.00 H new ATOM 384 N SER A 28 2.537 5.823 2.328 1.00 0.00 N ATOM 385 CA SER A 28 3.280 6.157 1.125 1.00 0.00 C ATOM 386 C SER A 28 4.395 5.135 0.897 1.00 0.00 C ATOM 387 O SER A 28 5.109 4.772 1.830 1.00 0.00 O ATOM 388 CB SER A 28 3.864 7.569 1.212 1.00 0.00 C ATOM 389 OG SER A 28 2.884 8.529 1.598 1.00 0.00 O ATOM 0 H SER A 28 3.102 5.764 3.175 1.00 0.00 H new ATOM 0 HA SER A 28 2.592 6.129 0.280 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.684 7.579 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.284 7.848 0.246 1.00 0.00 H new ATOM 0 HG SER A 28 3.296 9.417 1.644 1.00 0.00 H new ATOM 395 N PHE A 29 4.509 4.700 -0.350 1.00 0.00 N ATOM 396 CA PHE A 29 5.525 3.726 -0.712 1.00 0.00 C ATOM 397 C PHE A 29 5.807 3.762 -2.215 1.00 0.00 C ATOM 398 O PHE A 29 5.279 4.613 -2.930 1.00 0.00 O ATOM 399 CB PHE A 29 4.976 2.347 -0.341 1.00 0.00 C ATOM 400 CG PHE A 29 3.482 2.175 -0.625 1.00 0.00 C ATOM 401 CD1 PHE A 29 3.059 1.877 -1.883 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.577 2.321 0.379 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.673 1.717 -2.147 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.191 2.161 0.116 1.00 0.00 C ATOM 405 CZ PHE A 29 0.769 1.863 -1.142 1.00 0.00 C ATOM 0 H PHE A 29 3.915 5.004 -1.121 1.00 0.00 H new ATOM 0 HA PHE A 29 6.455 3.947 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.530 1.587 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.157 2.168 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.777 1.762 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.913 2.559 1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.337 1.479 -3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.473 2.276 0.914 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.285 1.742 -1.343 1.00 0.00 H new ATOM 415 N THR A 30 6.640 2.828 -2.651 1.00 0.00 N ATOM 416 CA THR A 30 6.999 2.742 -4.056 1.00 0.00 C ATOM 417 C THR A 30 6.645 1.362 -4.614 1.00 0.00 C ATOM 418 O THR A 30 6.686 0.368 -3.891 1.00 0.00 O ATOM 419 CB THR A 30 8.484 3.088 -4.187 1.00 0.00 C ATOM 420 OG1 THR A 30 9.139 2.119 -3.373 1.00 0.00 O ATOM 421 CG2 THR A 30 8.833 4.425 -3.531 1.00 0.00 C ATOM 0 H THR A 30 7.077 2.124 -2.056 1.00 0.00 H new ATOM 0 HA THR A 30 6.431 3.455 -4.653 1.00 0.00 H new ATOM 0 HB THR A 30 8.758 3.119 -5.241 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.107 2.268 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.898 4.623 -3.652 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.260 5.223 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.590 4.384 -2.469 1.00 0.00 H new ATOM 429 N ALA A 31 6.306 1.346 -5.894 1.00 0.00 N ATOM 430 CA ALA A 31 5.945 0.104 -6.557 1.00 0.00 C ATOM 431 C ALA A 31 6.967 -0.977 -6.198 1.00 0.00 C ATOM 432 O ALA A 31 8.171 -0.722 -6.198 1.00 0.00 O ATOM 433 CB ALA A 31 5.851 0.339 -8.066 1.00 0.00 C ATOM 0 H ALA A 31 6.273 2.173 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 31 4.968 -0.241 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.580 -0.592 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.091 1.093 -8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.815 0.684 -8.441 1.00 0.00 H new ATOM 439 N GLY A 32 6.450 -2.160 -5.900 1.00 0.00 N ATOM 440 CA GLY A 32 7.302 -3.280 -5.540 1.00 0.00 C ATOM 441 C GLY A 32 7.561 -3.309 -4.032 1.00 0.00 C ATOM 442 O GLY A 32 8.546 -3.890 -3.579 1.00 0.00 O ATOM 0 H GLY A 32 5.451 -2.367 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.832 -4.213 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.249 -3.207 -6.074 1.00 0.00 H new ATOM 446 N THR A 33 6.659 -2.675 -3.297 1.00 0.00 N ATOM 447 CA THR A 33 6.777 -2.621 -1.850 1.00 0.00 C ATOM 448 C THR A 33 5.808 -3.609 -1.198 1.00 0.00 C ATOM 449 O THR A 33 4.600 -3.537 -1.420 1.00 0.00 O ATOM 450 CB THR A 33 6.555 -1.172 -1.411 1.00 0.00 C ATOM 451 OG1 THR A 33 7.787 -0.524 -1.715 1.00 0.00 O ATOM 452 CG2 THR A 33 6.426 -1.034 0.108 1.00 0.00 C ATOM 0 H THR A 33 5.843 -2.194 -3.677 1.00 0.00 H new ATOM 0 HA THR A 33 7.771 -2.926 -1.523 1.00 0.00 H new ATOM 0 HB THR A 33 5.656 -0.782 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.642 0.138 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.270 0.013 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.578 -1.624 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.338 -1.393 0.585 1.00 0.00 H new ATOM 460 N VAL A 34 6.373 -4.509 -0.407 1.00 0.00 N ATOM 461 CA VAL A 34 5.574 -5.510 0.279 1.00 0.00 C ATOM 462 C VAL A 34 5.133 -4.962 1.637 1.00 0.00 C ATOM 463 O VAL A 34 5.929 -4.360 2.356 1.00 0.00 O ATOM 464 CB VAL A 34 6.357 -6.820 0.388 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.870 -7.652 1.576 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.272 -7.620 -0.914 1.00 0.00 C ATOM 0 H VAL A 34 7.375 -4.566 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 34 4.671 -5.733 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 34 7.404 -6.571 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.443 -8.578 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.007 -7.086 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.813 -7.886 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.837 -8.546 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.229 -7.853 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.689 -7.031 -1.731 1.00 0.00 H new ATOM 476 N PHE A 35 3.865 -5.190 1.949 1.00 0.00 N ATOM 477 CA PHE A 35 3.309 -4.727 3.209 1.00 0.00 C ATOM 478 C PHE A 35 3.100 -5.893 4.177 1.00 0.00 C ATOM 479 O PHE A 35 2.399 -6.852 3.858 1.00 0.00 O ATOM 480 CB PHE A 35 1.953 -4.093 2.893 1.00 0.00 C ATOM 481 CG PHE A 35 2.033 -2.894 1.944 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.390 -1.672 2.422 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.747 -3.052 0.624 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.464 -0.560 1.541 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.821 -1.940 -0.256 1.00 0.00 C ATOM 486 CZ PHE A 35 2.178 -0.718 0.221 1.00 0.00 C ATOM 0 H PHE A 35 3.207 -5.689 1.351 1.00 0.00 H new ATOM 0 HA PHE A 35 3.991 -4.018 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.303 -4.849 2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.486 -3.775 3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.617 -1.547 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.464 -4.023 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.747 0.411 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.594 -2.065 -1.304 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.234 0.127 -0.449 1.00 0.00 H new ATOM 496 N ASP A 36 3.720 -5.771 5.342 1.00 0.00 N ATOM 497 CA ASP A 36 3.611 -6.803 6.359 1.00 0.00 C ATOM 498 C ASP A 36 2.219 -6.744 6.991 1.00 0.00 C ATOM 499 O ASP A 36 1.669 -5.662 7.191 1.00 0.00 O ATOM 500 CB ASP A 36 4.643 -6.594 7.469 1.00 0.00 C ATOM 501 CG ASP A 36 5.880 -7.489 7.378 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.431 -7.585 6.260 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.247 -8.058 8.429 1.00 0.00 O ATOM 0 H ASP A 36 4.299 -4.973 5.604 1.00 0.00 H new ATOM 0 HA ASP A 36 3.786 -7.767 5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.965 -5.553 7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.160 -6.765 8.431 1.00 0.00 H new ATOM 508 N ASN A 37 1.689 -7.921 7.289 1.00 0.00 N ATOM 509 CA ASN A 37 0.371 -8.017 7.895 1.00 0.00 C ATOM 510 C ASN A 37 -0.587 -7.067 7.174 1.00 0.00 C ATOM 511 O ASN A 37 -0.743 -5.915 7.576 1.00 0.00 O ATOM 512 CB ASN A 37 0.413 -7.618 9.371 1.00 0.00 C ATOM 513 CG ASN A 37 -0.568 -8.455 10.194 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.705 -8.679 9.812 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.066 -8.904 11.340 1.00 0.00 N ATOM 0 H ASN A 37 2.148 -8.817 7.122 1.00 0.00 H new ATOM 0 HA ASN A 37 0.035 -9.051 7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.423 -7.750 9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.169 -6.561 9.473 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.641 -9.474 11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.895 -8.679 11.599 1.00 0.00 H new ATOM 522 N VAL A 38 -1.203 -7.584 6.122 1.00 0.00 N ATOM 523 CA VAL A 38 -2.142 -6.796 5.342 1.00 0.00 C ATOM 524 C VAL A 38 -3.567 -7.266 5.639 1.00 0.00 C ATOM 525 O VAL A 38 -3.778 -8.416 6.022 1.00 0.00 O ATOM 526 CB VAL A 38 -1.784 -6.875 3.856 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.875 -6.236 2.995 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.423 -6.231 3.585 1.00 0.00 C ATOM 0 H VAL A 38 -1.070 -8.540 5.791 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.082 -5.744 5.622 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.716 -7.928 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.596 -6.305 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.818 -6.759 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.990 -5.188 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.193 -6.301 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.451 -5.183 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.346 -6.750 4.157 1.00 0.00 H new ATOM 538 N HIS A 39 -4.509 -6.352 5.453 1.00 0.00 N ATOM 539 CA HIS A 39 -5.908 -6.659 5.697 1.00 0.00 C ATOM 540 C HIS A 39 -6.775 -5.474 5.266 1.00 0.00 C ATOM 541 O HIS A 39 -6.288 -4.350 5.159 1.00 0.00 O ATOM 542 CB HIS A 39 -6.130 -7.057 7.157 1.00 0.00 C ATOM 543 CG HIS A 39 -5.734 -5.991 8.151 1.00 0.00 C ATOM 544 ND1 HIS A 39 -5.077 -6.277 9.335 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.908 -4.638 8.124 1.00 0.00 C ATOM 546 CE1 HIS A 39 -4.871 -5.141 9.984 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.387 -4.127 9.233 1.00 0.00 N ATOM 0 H HIS A 39 -4.330 -5.399 5.136 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.206 -7.520 5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.183 -7.300 7.301 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.562 -7.964 7.366 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.799 -7.205 9.654 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.388 -4.078 7.335 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.380 -5.036 10.940 1.00 0.00 H new ATOM 555 N PRO A 40 -8.079 -5.775 5.025 1.00 0.00 N ATOM 556 CA PRO A 40 -9.019 -4.748 4.608 1.00 0.00 C ATOM 557 C PRO A 40 -9.408 -3.851 5.785 1.00 0.00 C ATOM 558 O PRO A 40 -10.081 -4.296 6.713 1.00 0.00 O ATOM 559 CB PRO A 40 -10.200 -5.509 4.026 1.00 0.00 C ATOM 560 CG PRO A 40 -10.085 -6.928 4.557 1.00 0.00 C ATOM 561 CD PRO A 40 -8.691 -7.095 5.141 1.00 0.00 C ATOM 0 HA PRO A 40 -8.598 -4.067 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.144 -5.055 4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.174 -5.497 2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.843 -7.113 5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.253 -7.650 3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.734 -7.422 6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.120 -7.845 4.594 1.00 0.00 H new ATOM 569 N SER A 41 -8.967 -2.604 5.707 1.00 0.00 N ATOM 570 CA SER A 41 -9.261 -1.640 6.754 1.00 0.00 C ATOM 571 C SER A 41 -10.774 -1.531 6.957 1.00 0.00 C ATOM 572 O SER A 41 -11.525 -2.408 6.531 1.00 0.00 O ATOM 573 CB SER A 41 -8.670 -0.269 6.422 1.00 0.00 C ATOM 574 OG SER A 41 -9.620 0.582 5.787 1.00 0.00 O ATOM 0 H SER A 41 -8.409 -2.239 4.935 1.00 0.00 H new ATOM 0 HA SER A 41 -8.802 -1.990 7.679 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.315 0.204 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.804 -0.395 5.772 1.00 0.00 H new ATOM 0 HG SER A 41 -9.731 0.308 4.853 1.00 0.00 H new ATOM 580 N GLN A 42 -11.175 -0.449 7.606 1.00 0.00 N ATOM 581 CA GLN A 42 -12.585 -0.214 7.870 1.00 0.00 C ATOM 582 C GLN A 42 -13.241 0.475 6.673 1.00 0.00 C ATOM 583 O GLN A 42 -14.457 0.402 6.500 1.00 0.00 O ATOM 584 CB GLN A 42 -12.774 0.606 9.148 1.00 0.00 C ATOM 585 CG GLN A 42 -13.144 -0.294 10.328 1.00 0.00 C ATOM 586 CD GLN A 42 -11.925 -1.071 10.829 1.00 0.00 C ATOM 587 OE1 GLN A 42 -10.788 -0.766 10.508 1.00 0.00 O ATOM 588 NE2 GLN A 42 -12.224 -2.089 11.631 1.00 0.00 N ATOM 0 H GLN A 42 -10.549 0.275 7.957 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.072 -1.177 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.857 1.149 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.556 1.350 8.995 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.552 0.311 11.138 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.926 -0.992 10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.198 -2.289 11.859 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.480 -2.669 12.018 1.00 0.00 H new ATOM 597 N GLU A 43 -12.408 1.129 5.877 1.00 0.00 N ATOM 598 CA GLU A 43 -12.892 1.831 4.701 1.00 0.00 C ATOM 599 C GLU A 43 -13.113 0.848 3.549 1.00 0.00 C ATOM 600 O GLU A 43 -12.379 -0.130 3.414 1.00 0.00 O ATOM 601 CB GLU A 43 -11.929 2.947 4.292 1.00 0.00 C ATOM 602 CG GLU A 43 -12.583 4.321 4.448 1.00 0.00 C ATOM 603 CD GLU A 43 -12.710 5.024 3.095 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.652 5.240 2.466 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.863 5.329 2.720 1.00 0.00 O ATOM 0 H GLU A 43 -11.400 1.187 6.024 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.848 2.294 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.029 2.897 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.619 2.803 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.570 4.209 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.991 4.935 5.127 1.00 0.00 H new ATOM 612 N PRO A 44 -14.154 1.150 2.727 1.00 0.00 N ATOM 613 CA PRO A 44 -14.480 0.304 1.591 1.00 0.00 C ATOM 614 C PRO A 44 -13.478 0.505 0.453 1.00 0.00 C ATOM 615 O PRO A 44 -13.414 1.580 -0.141 1.00 0.00 O ATOM 616 CB PRO A 44 -15.899 0.690 1.208 1.00 0.00 C ATOM 617 CG PRO A 44 -16.146 2.051 1.839 1.00 0.00 C ATOM 618 CD PRO A 44 -15.044 2.299 2.857 1.00 0.00 C ATOM 0 HA PRO A 44 -14.420 -0.759 1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.012 0.735 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.616 -0.046 1.573 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.145 2.831 1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.124 2.077 2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.519 3.232 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.447 2.375 3.867 1.00 0.00 H new ATOM 626 N GLY A 45 -12.719 -0.548 0.183 1.00 0.00 N ATOM 627 CA GLY A 45 -11.723 -0.501 -0.874 1.00 0.00 C ATOM 628 C GLY A 45 -10.416 0.111 -0.368 1.00 0.00 C ATOM 629 O GLY A 45 -9.700 0.768 -1.124 1.00 0.00 O ATOM 0 H GLY A 45 -12.774 -1.438 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.537 -1.508 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.103 0.085 -1.711 1.00 0.00 H new ATOM 633 N TRP A 46 -10.143 -0.126 0.906 1.00 0.00 N ATOM 634 CA TRP A 46 -8.934 0.394 1.522 1.00 0.00 C ATOM 635 C TRP A 46 -8.365 -0.692 2.437 1.00 0.00 C ATOM 636 O TRP A 46 -9.082 -1.246 3.268 1.00 0.00 O ATOM 637 CB TRP A 46 -9.213 1.708 2.255 1.00 0.00 C ATOM 638 CG TRP A 46 -9.424 2.906 1.326 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.581 3.481 0.971 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.397 3.657 0.644 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.376 4.543 0.114 1.00 0.00 N ATOM 642 CE2 TRP A 46 -9.006 4.653 -0.091 1.00 0.00 C ATOM 643 CE3 TRP A 46 -7.000 3.499 0.649 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.295 5.569 -0.876 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.304 4.422 -0.141 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.902 5.431 -0.886 1.00 0.00 C ATOM 0 H TRP A 46 -10.738 -0.671 1.529 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.189 0.637 0.764 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.099 1.584 2.878 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.380 1.923 2.925 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.552 3.154 1.313 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.097 5.138 -0.294 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.503 2.727 1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.794 6.340 -1.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.227 4.344 -0.174 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.295 6.106 -1.470 1.00 0.00 H new ATOM 657 N LEU A 47 -7.081 -0.963 2.254 1.00 0.00 N ATOM 658 CA LEU A 47 -6.408 -1.972 3.053 1.00 0.00 C ATOM 659 C LEU A 47 -5.637 -1.290 4.185 1.00 0.00 C ATOM 660 O LEU A 47 -5.318 -0.105 4.098 1.00 0.00 O ATOM 661 CB LEU A 47 -5.536 -2.864 2.167 1.00 0.00 C ATOM 662 CG LEU A 47 -6.207 -3.418 0.908 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.295 -4.420 0.196 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.575 -4.020 1.235 1.00 0.00 C ATOM 0 H LEU A 47 -6.489 -0.501 1.564 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.136 -2.637 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.657 -2.295 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.183 -3.703 2.766 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.376 -2.590 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.796 -4.798 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.367 -3.927 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.072 -5.250 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.030 -4.406 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.453 -4.832 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.218 -3.251 1.664 1.00 0.00 H new ATOM 676 N GLU A 48 -5.359 -2.067 5.222 1.00 0.00 N ATOM 677 CA GLU A 48 -4.631 -1.553 6.369 1.00 0.00 C ATOM 678 C GLU A 48 -3.504 -2.512 6.756 1.00 0.00 C ATOM 679 O GLU A 48 -3.750 -3.554 7.361 1.00 0.00 O ATOM 680 CB GLU A 48 -5.573 -1.308 7.550 1.00 0.00 C ATOM 681 CG GLU A 48 -4.892 -0.463 8.628 1.00 0.00 C ATOM 682 CD GLU A 48 -5.912 0.400 9.374 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.720 1.052 8.679 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.859 0.389 10.623 1.00 0.00 O ATOM 0 H GLU A 48 -5.625 -3.049 5.291 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.188 -0.596 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.474 -0.803 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.886 -2.262 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.376 -1.114 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.135 0.175 8.171 1.00 0.00 H new ATOM 691 N GLY A 49 -2.290 -2.125 6.392 1.00 0.00 N ATOM 692 CA GLY A 49 -1.124 -2.937 6.693 1.00 0.00 C ATOM 693 C GLY A 49 -0.062 -2.120 7.432 1.00 0.00 C ATOM 694 O GLY A 49 -0.322 -0.993 7.852 1.00 0.00 O ATOM 0 H GLY A 49 -2.089 -1.259 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.419 -3.792 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.704 -3.334 5.769 1.00 0.00 H new ATOM 698 N THR A 50 1.112 -2.719 7.568 1.00 0.00 N ATOM 699 CA THR A 50 2.213 -2.060 8.249 1.00 0.00 C ATOM 700 C THR A 50 3.381 -1.840 7.285 1.00 0.00 C ATOM 701 O THR A 50 3.698 -2.712 6.478 1.00 0.00 O ATOM 702 CB THR A 50 2.585 -2.903 9.471 1.00 0.00 C ATOM 703 OG1 THR A 50 1.366 -3.017 10.198 1.00 0.00 O ATOM 704 CG2 THR A 50 3.523 -2.164 10.428 1.00 0.00 C ATOM 0 H THR A 50 1.325 -3.653 7.218 1.00 0.00 H new ATOM 0 HA THR A 50 1.926 -1.067 8.595 1.00 0.00 H new ATOM 0 HB THR A 50 3.057 -3.829 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.120 -2.142 10.564 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.756 -2.806 11.278 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.444 -1.904 9.906 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.038 -1.254 10.783 1.00 0.00 H new ATOM 712 N LEU A 51 3.988 -0.668 7.401 1.00 0.00 N ATOM 713 CA LEU A 51 5.114 -0.321 6.549 1.00 0.00 C ATOM 714 C LEU A 51 6.137 0.473 7.363 1.00 0.00 C ATOM 715 O LEU A 51 5.881 1.614 7.746 1.00 0.00 O ATOM 716 CB LEU A 51 4.631 0.404 5.292 1.00 0.00 C ATOM 717 CG LEU A 51 5.704 1.142 4.489 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.417 0.193 3.524 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.113 2.355 3.769 1.00 0.00 C ATOM 0 H LEU A 51 3.722 0.053 8.071 1.00 0.00 H new ATOM 0 HA LEU A 51 5.617 -1.221 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.153 -0.325 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.865 1.123 5.583 1.00 0.00 H new ATOM 0 HG LEU A 51 6.455 1.516 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.175 0.743 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.893 -0.609 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.692 -0.232 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.897 2.861 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.330 2.027 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.690 3.043 4.502 1.00 0.00 H new ATOM 731 N ASN A 52 7.276 -0.160 7.603 1.00 0.00 N ATOM 732 CA ASN A 52 8.339 0.473 8.364 1.00 0.00 C ATOM 733 C ASN A 52 7.784 0.952 9.706 1.00 0.00 C ATOM 734 O ASN A 52 7.771 2.150 9.985 1.00 0.00 O ATOM 735 CB ASN A 52 8.898 1.690 7.622 1.00 0.00 C ATOM 736 CG ASN A 52 10.038 1.285 6.686 1.00 0.00 C ATOM 737 OD1 ASN A 52 11.048 0.736 7.096 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.822 1.586 5.409 1.00 0.00 N ATOM 0 H ASN A 52 7.486 -1.106 7.283 1.00 0.00 H new ATOM 0 HA ASN A 52 9.134 -0.259 8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.104 2.167 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.257 2.426 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.524 1.357 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.954 2.046 5.133 1.00 0.00 H new ATOM 745 N GLY A 53 7.339 -0.008 10.503 1.00 0.00 N ATOM 746 CA GLY A 53 6.784 0.300 11.810 1.00 0.00 C ATOM 747 C GLY A 53 5.794 1.464 11.724 1.00 0.00 C ATOM 748 O GLY A 53 5.760 2.320 12.607 1.00 0.00 O ATOM 0 H GLY A 53 7.352 -1.001 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.282 -0.580 12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.589 0.552 12.501 1.00 0.00 H new ATOM 752 N LYS A 54 5.014 1.458 10.654 1.00 0.00 N ATOM 753 CA LYS A 54 4.027 2.503 10.441 1.00 0.00 C ATOM 754 C LYS A 54 2.783 1.897 9.787 1.00 0.00 C ATOM 755 O LYS A 54 2.860 1.350 8.688 1.00 0.00 O ATOM 756 CB LYS A 54 4.635 3.662 9.650 1.00 0.00 C ATOM 757 CG LYS A 54 3.764 4.916 9.758 1.00 0.00 C ATOM 758 CD LYS A 54 4.314 6.043 8.881 1.00 0.00 C ATOM 759 CE LYS A 54 3.186 6.759 8.136 1.00 0.00 C ATOM 760 NZ LYS A 54 3.739 7.661 7.101 1.00 0.00 N ATOM 0 H LYS A 54 5.045 0.746 9.924 1.00 0.00 H new ATOM 0 HA LYS A 54 3.712 2.929 11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.636 3.877 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.740 3.377 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.743 4.681 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.722 5.246 10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.857 6.758 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.027 5.636 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.526 6.026 7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.583 7.331 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.960 8.139 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.351 8.372 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.295 7.107 6.419 1.00 0.00 H new ATOM 774 N THR A 55 1.666 2.017 10.489 1.00 0.00 N ATOM 775 CA THR A 55 0.408 1.488 9.990 1.00 0.00 C ATOM 776 C THR A 55 -0.484 2.624 9.484 1.00 0.00 C ATOM 777 O THR A 55 -0.487 3.715 10.051 1.00 0.00 O ATOM 778 CB THR A 55 -0.234 0.662 11.107 1.00 0.00 C ATOM 779 OG1 THR A 55 0.645 -0.448 11.267 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.560 0.030 10.678 1.00 0.00 C ATOM 0 H THR A 55 1.606 2.473 11.399 1.00 0.00 H new ATOM 0 HA THR A 55 0.566 0.834 9.133 1.00 0.00 H new ATOM 0 HB THR A 55 -0.399 1.295 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.305 -1.035 11.974 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.974 -0.545 11.506 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.262 0.814 10.394 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.390 -0.630 9.827 1.00 0.00 H new ATOM 788 N GLY A 56 -1.219 2.327 8.422 1.00 0.00 N ATOM 789 CA GLY A 56 -2.113 3.310 7.834 1.00 0.00 C ATOM 790 C GLY A 56 -3.026 2.664 6.790 1.00 0.00 C ATOM 791 O GLY A 56 -3.106 1.439 6.701 1.00 0.00 O ATOM 0 H GLY A 56 -1.214 1.421 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.717 3.771 8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.530 4.106 7.370 1.00 0.00 H new ATOM 795 N LEU A 57 -3.693 3.516 6.025 1.00 0.00 N ATOM 796 CA LEU A 57 -4.597 3.043 4.990 1.00 0.00 C ATOM 797 C LEU A 57 -3.811 2.813 3.698 1.00 0.00 C ATOM 798 O LEU A 57 -2.841 3.518 3.423 1.00 0.00 O ATOM 799 CB LEU A 57 -5.776 4.005 4.829 1.00 0.00 C ATOM 800 CG LEU A 57 -6.699 4.144 6.042 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.862 5.091 5.741 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.185 2.774 6.520 1.00 0.00 C ATOM 0 H LEU A 57 -3.625 4.531 6.101 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.033 2.085 5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.383 4.991 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.373 3.677 3.978 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.127 4.586 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.502 5.172 6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.472 6.076 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.442 4.701 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.839 2.901 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.734 2.282 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.328 2.162 6.801 1.00 0.00 H new ATOM 814 N ILE A 58 -4.259 1.823 2.939 1.00 0.00 N ATOM 815 CA ILE A 58 -3.609 1.491 1.683 1.00 0.00 C ATOM 816 C ILE A 58 -4.675 1.230 0.616 1.00 0.00 C ATOM 817 O ILE A 58 -5.702 0.614 0.897 1.00 0.00 O ATOM 818 CB ILE A 58 -2.634 0.327 1.875 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.566 0.673 2.914 1.00 0.00 C ATOM 820 CG2 ILE A 58 -2.020 -0.099 0.540 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.898 -0.592 3.455 1.00 0.00 C ATOM 0 H ILE A 58 -5.064 1.241 3.170 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.005 2.328 1.334 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.192 -0.527 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.814 1.322 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.019 1.229 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.331 -0.928 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.811 -0.414 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.480 0.741 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.143 -0.318 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.649 -1.228 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.426 -1.133 2.635 1.00 0.00 H new ATOM 833 N PRO A 59 -4.387 1.726 -0.617 1.00 0.00 N ATOM 834 CA PRO A 59 -5.309 1.554 -1.727 1.00 0.00 C ATOM 835 C PRO A 59 -5.267 0.119 -2.256 1.00 0.00 C ATOM 836 O PRO A 59 -4.315 -0.270 -2.933 1.00 0.00 O ATOM 837 CB PRO A 59 -4.876 2.581 -2.761 1.00 0.00 C ATOM 838 CG PRO A 59 -3.454 2.970 -2.392 1.00 0.00 C ATOM 839 CD PRO A 59 -3.181 2.462 -0.986 1.00 0.00 C ATOM 0 HA PRO A 59 -6.348 1.712 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.918 2.164 -3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.534 3.450 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.745 2.538 -3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.330 4.052 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.301 1.819 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.993 3.285 -0.297 1.00 0.00 H new ATOM 847 N GLU A 60 -6.310 -0.630 -1.929 1.00 0.00 N ATOM 848 CA GLU A 60 -6.404 -2.013 -2.363 1.00 0.00 C ATOM 849 C GLU A 60 -6.237 -2.106 -3.881 1.00 0.00 C ATOM 850 O GLU A 60 -5.913 -3.168 -4.409 1.00 0.00 O ATOM 851 CB GLU A 60 -7.727 -2.639 -1.918 1.00 0.00 C ATOM 852 CG GLU A 60 -8.798 -2.485 -3.000 1.00 0.00 C ATOM 853 CD GLU A 60 -9.256 -1.029 -3.114 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.364 -0.157 -3.184 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.489 -0.822 -3.129 1.00 0.00 O ATOM 0 H GLU A 60 -7.097 -0.305 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.597 -2.576 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.577 -3.696 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.065 -2.166 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.403 -2.822 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.651 -3.121 -2.765 1.00 0.00 H new ATOM 862 N ASN A 61 -6.464 -0.979 -4.539 1.00 0.00 N ATOM 863 CA ASN A 61 -6.343 -0.919 -5.986 1.00 0.00 C ATOM 864 C ASN A 61 -4.905 -0.551 -6.358 1.00 0.00 C ATOM 865 O ASN A 61 -4.637 -0.147 -7.488 1.00 0.00 O ATOM 866 CB ASN A 61 -7.271 0.146 -6.573 1.00 0.00 C ATOM 867 CG ASN A 61 -7.150 1.463 -5.804 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.745 1.658 -4.757 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.348 2.354 -6.381 1.00 0.00 N ATOM 0 H ASN A 61 -6.731 -0.100 -4.097 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.615 -1.895 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.025 0.310 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.302 -0.206 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.201 3.265 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.880 2.126 -7.258 1.00 0.00 H new ATOM 876 N TYR A 62 -4.019 -0.704 -5.385 1.00 0.00 N ATOM 877 CA TYR A 62 -2.615 -0.393 -5.597 1.00 0.00 C ATOM 878 C TYR A 62 -1.716 -1.451 -4.955 1.00 0.00 C ATOM 879 O TYR A 62 -0.518 -1.232 -4.783 1.00 0.00 O ATOM 880 CB TYR A 62 -2.373 0.951 -4.907 1.00 0.00 C ATOM 881 CG TYR A 62 -1.973 2.078 -5.863 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.761 2.365 -6.959 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.825 2.806 -5.628 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.385 3.425 -7.858 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.449 3.867 -6.527 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.247 4.123 -7.598 1.00 0.00 C ATOM 887 OH TYR A 62 -0.892 5.124 -8.447 1.00 0.00 O ATOM 0 H TYR A 62 -4.245 -1.039 -4.449 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.385 -0.364 -6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.279 1.243 -4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.590 0.828 -4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.660 1.795 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.208 2.581 -4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.993 3.660 -8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.446 4.446 -6.354 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.059 5.536 -8.137 1.00 0.00 H new ATOM 897 N VAL A 63 -2.329 -2.577 -4.618 1.00 0.00 N ATOM 898 CA VAL A 63 -1.598 -3.670 -3.998 1.00 0.00 C ATOM 899 C VAL A 63 -1.900 -4.968 -4.748 1.00 0.00 C ATOM 900 O VAL A 63 -2.767 -4.999 -5.620 1.00 0.00 O ATOM 901 CB VAL A 63 -1.937 -3.747 -2.508 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.450 -2.499 -1.770 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.438 -3.958 -2.297 1.00 0.00 C ATOM 0 H VAL A 63 -3.323 -2.756 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.524 -3.498 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.416 -4.608 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.704 -2.579 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.369 -2.411 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.930 -1.616 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.652 -4.009 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.988 -3.126 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.745 -4.889 -2.773 1.00 0.00 H new ATOM 913 N GLU A 64 -1.168 -6.010 -4.381 1.00 0.00 N ATOM 914 CA GLU A 64 -1.347 -7.308 -5.009 1.00 0.00 C ATOM 915 C GLU A 64 -0.937 -8.424 -4.045 1.00 0.00 C ATOM 916 O GLU A 64 0.210 -8.868 -4.055 1.00 0.00 O ATOM 917 CB GLU A 64 -0.559 -7.398 -6.317 1.00 0.00 C ATOM 918 CG GLU A 64 -0.320 -8.856 -6.715 1.00 0.00 C ATOM 919 CD GLU A 64 -0.430 -9.036 -8.230 1.00 0.00 C ATOM 920 OE1 GLU A 64 0.322 -8.335 -8.941 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.264 -9.871 -8.644 1.00 0.00 O ATOM 0 H GLU A 64 -0.450 -5.982 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.403 -7.431 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.104 -6.886 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.397 -6.886 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.668 -9.171 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.047 -9.497 -6.215 1.00 0.00 H new ATOM 928 N PHE A 65 -1.898 -8.846 -3.236 1.00 0.00 N ATOM 929 CA PHE A 65 -1.652 -9.902 -2.268 1.00 0.00 C ATOM 930 C PHE A 65 -0.728 -10.974 -2.850 1.00 0.00 C ATOM 931 O PHE A 65 -0.908 -11.402 -3.988 1.00 0.00 O ATOM 932 CB PHE A 65 -3.006 -10.534 -1.942 1.00 0.00 C ATOM 933 CG PHE A 65 -3.874 -9.696 -1.001 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.728 -9.816 0.346 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.791 -8.832 -1.512 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.534 -9.038 1.219 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.597 -8.054 -0.638 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.451 -8.173 0.708 1.00 0.00 C ATOM 0 H PHE A 65 -2.848 -8.476 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.172 -9.490 -1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.551 -10.700 -2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.840 -11.512 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.000 -10.503 0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.907 -8.737 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.419 -9.133 2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.326 -7.368 -1.043 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.063 -7.581 1.372 1.00 0.00 H new ATOM 948 N LEU A 66 0.241 -11.376 -2.041 1.00 0.00 N ATOM 949 CA LEU A 66 1.193 -12.390 -2.460 1.00 0.00 C ATOM 950 C LEU A 66 0.787 -13.742 -1.869 1.00 0.00 C ATOM 951 O LEU A 66 -0.243 -13.848 -1.205 1.00 0.00 O ATOM 952 CB LEU A 66 2.619 -11.967 -2.103 1.00 0.00 C ATOM 953 CG LEU A 66 2.944 -10.483 -2.286 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.579 -9.900 -1.022 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.819 -10.262 -3.522 1.00 0.00 C ATOM 0 H LEU A 66 0.387 -11.018 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 66 1.179 -12.499 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.806 -12.234 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.312 -12.548 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 66 2.010 -9.947 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.800 -8.844 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.888 -10.005 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.502 -10.434 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.035 -9.199 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.753 -10.813 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.293 -10.616 -4.408 1.00 0.00 H new