USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 431 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 17 GLN : amide:sc= -1.79! C(o=-1.8!,f=-2.1!) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= -0.0279 (180deg=-0.79) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 27 MET CE :methyl 178:sc= 0 (180deg=-0.00446) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 120:sc= -0.368 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 9.033 -12.897 -9.039 1.00 21.00 N ATOM 101 CA TRP A 10 8.575 -12.217 -10.245 1.00 60.13 C ATOM 102 C TRP A 10 7.669 -13.124 -11.071 1.00 22.12 C ATOM 103 O TRP A 10 7.147 -12.717 -12.109 1.00 4.12 O ATOM 104 CB TRP A 10 9.770 -11.767 -11.087 1.00 3.12 C ATOM 105 CG TRP A 10 10.431 -12.889 -11.828 1.00 61.34 C ATOM 106 CD1 TRP A 10 11.087 -13.957 -11.285 1.00 2.42 C ATOM 107 CD2 TRP A 10 10.501 -13.054 -13.249 1.00 0.11 C ATOM 108 NE1 TRP A 10 11.561 -14.775 -12.282 1.00 11.20 N ATOM 109 CE2 TRP A 10 11.214 -14.244 -13.496 1.00 13.41 C ATOM 110 CE3 TRP A 10 10.029 -12.313 -14.336 1.00 64.51 C ATOM 111 CZ2 TRP A 10 11.465 -14.706 -14.785 1.00 24.33 C ATOM 112 CZ3 TRP A 10 10.280 -12.774 -15.615 1.00 3.13 C ATOM 113 CH2 TRP A 10 10.992 -13.961 -15.830 1.00 61.45 C ATOM 0 HA TRP A 10 8.002 -11.341 -9.942 1.00 60.13 H new ATOM 0 HB2 TRP A 10 9.438 -11.014 -11.802 1.00 3.12 H new ATOM 0 HB3 TRP A 10 10.503 -11.288 -10.438 1.00 3.12 H new ATOM 0 HD1 TRP A 10 11.214 -14.133 -10.227 1.00 2.42 H new ATOM 0 HE1 TRP A 10 12.086 -15.638 -12.141 1.00 11.20 H new ATOM 0 HE3 TRP A 10 9.478 -11.397 -14.180 1.00 64.51 H new ATOM 0 HZ2 TRP A 10 12.014 -15.621 -14.954 1.00 24.33 H new ATOM 0 HZ3 TRP A 10 9.921 -12.209 -16.463 1.00 3.13 H new ATOM 0 HH2 TRP A 10 11.171 -14.295 -16.841 1.00 61.45 H new ATOM 124 N ARG A 11 7.487 -14.355 -10.603 1.00 55.32 N ATOM 125 CA ARG A 11 6.644 -15.319 -11.300 1.00 30.33 C ATOM 126 C ARG A 11 5.208 -15.256 -10.788 1.00 31.20 C ATOM 127 O ARG A 11 4.402 -16.146 -11.059 1.00 70.31 O ATOM 128 CB ARG A 11 7.198 -16.734 -11.122 1.00 61.25 C ATOM 129 CG ARG A 11 7.982 -17.236 -12.324 1.00 24.02 C ATOM 130 CD ARG A 11 8.807 -18.466 -11.977 1.00 13.13 C ATOM 131 NE ARG A 11 8.120 -19.704 -12.335 1.00 62.04 N ATOM 132 CZ ARG A 11 8.461 -20.897 -11.861 1.00 35.12 C ATOM 133 NH1 ARG A 11 9.473 -21.013 -11.012 1.00 52.43 N ATOM 134 NH2 ARG A 11 7.787 -21.978 -12.234 1.00 43.24 N ATOM 0 H ARG A 11 7.912 -14.708 -9.745 1.00 55.32 H new ATOM 0 HA ARG A 11 6.645 -15.065 -12.360 1.00 30.33 H new ATOM 0 HB2 ARG A 11 7.843 -16.755 -10.244 1.00 61.25 H new ATOM 0 HB3 ARG A 11 6.371 -17.417 -10.927 1.00 61.25 H new ATOM 0 HG2 ARG A 11 7.294 -17.475 -13.135 1.00 24.02 H new ATOM 0 HG3 ARG A 11 8.640 -16.446 -12.687 1.00 24.02 H new ATOM 0 HD2 ARG A 11 9.764 -18.419 -12.497 1.00 13.13 H new ATOM 0 HD3 ARG A 11 9.024 -18.468 -10.909 1.00 13.13 H new ATOM 0 HE ARG A 11 7.335 -19.650 -12.985 1.00 62.04 H new ATOM 0 HH11 ARG A 11 9.992 -20.185 -10.721 1.00 52.43 H new ATOM 0 HH12 ARG A 11 9.732 -21.931 -10.650 1.00 52.43 H new ATOM 0 HH21 ARG A 11 7.007 -21.893 -12.885 1.00 43.24 H new ATOM 0 HH22 ARG A 11 8.050 -22.894 -11.869 1.00 43.24 H new ATOM 148 N SER A 12 4.895 -14.198 -10.046 1.00 64.51 N ATOM 149 CA SER A 12 3.558 -14.021 -9.493 1.00 20.24 C ATOM 150 C SER A 12 2.652 -13.295 -10.482 1.00 43.15 C ATOM 151 O SER A 12 3.099 -12.422 -11.227 1.00 44.30 O ATOM 152 CB SER A 12 3.626 -13.240 -8.179 1.00 23.33 C ATOM 153 OG SER A 12 2.515 -12.371 -8.044 1.00 5.21 O ATOM 0 H SER A 12 5.550 -13.451 -9.814 1.00 64.51 H new ATOM 0 HA SER A 12 3.138 -15.008 -9.300 1.00 20.24 H new ATOM 0 HB2 SER A 12 3.652 -13.935 -7.340 1.00 23.33 H new ATOM 0 HB3 SER A 12 4.550 -12.663 -8.143 1.00 23.33 H new ATOM 0 HG SER A 12 2.581 -11.885 -7.196 1.00 5.21 H new ATOM 159 N THR A 13 1.375 -13.662 -10.485 1.00 74.34 N ATOM 160 CA THR A 13 0.405 -13.048 -11.383 1.00 72.35 C ATOM 161 C THR A 13 0.364 -11.536 -11.198 1.00 1.24 C ATOM 162 O THR A 13 0.429 -10.780 -12.166 1.00 43.15 O ATOM 163 CB THR A 13 -1.008 -13.620 -11.160 1.00 51.32 C ATOM 164 OG1 THR A 13 -0.932 -15.024 -10.890 1.00 44.14 O ATOM 165 CG2 THR A 13 -1.888 -13.379 -12.378 1.00 23.41 C ATOM 0 H THR A 13 0.988 -14.382 -9.875 1.00 74.34 H new ATOM 0 HA THR A 13 0.726 -13.278 -12.399 1.00 72.35 H new ATOM 0 HB THR A 13 -1.451 -13.110 -10.305 1.00 51.32 H new ATOM 0 HG1 THR A 13 -1.834 -15.379 -10.748 1.00 44.14 H new ATOM 0 HG21 THR A 13 -2.881 -13.792 -12.197 1.00 23.41 H new ATOM 0 HG22 THR A 13 -1.968 -12.308 -12.563 1.00 23.41 H new ATOM 0 HG23 THR A 13 -1.446 -13.865 -13.248 1.00 23.41 H new ATOM 173 N ALA A 14 0.257 -11.101 -9.946 1.00 54.24 N ATOM 174 CA ALA A 14 0.210 -9.678 -9.634 1.00 1.13 C ATOM 175 C ALA A 14 1.392 -8.940 -10.255 1.00 34.54 C ATOM 176 O ALA A 14 1.249 -7.819 -10.743 1.00 24.21 O ATOM 177 CB ALA A 14 0.188 -9.469 -8.127 1.00 30.12 C ATOM 0 H ALA A 14 0.201 -11.714 -9.132 1.00 54.24 H new ATOM 0 HA ALA A 14 -0.705 -9.268 -10.061 1.00 1.13 H new ATOM 0 HB1 ALA A 14 0.153 -8.402 -7.908 1.00 30.12 H new ATOM 0 HB2 ALA A 14 -0.692 -9.955 -7.705 1.00 30.12 H new ATOM 0 HB3 ALA A 14 1.087 -9.900 -7.687 1.00 30.12 H new ATOM 183 N PHE A 15 2.558 -9.577 -10.232 1.00 42.40 N ATOM 184 CA PHE A 15 3.765 -8.980 -10.791 1.00 44.25 C ATOM 185 C PHE A 15 3.619 -8.764 -12.295 1.00 11.31 C ATOM 186 O PHE A 15 3.546 -7.628 -12.765 1.00 61.44 O ATOM 187 CB PHE A 15 4.978 -9.869 -10.508 1.00 72.24 C ATOM 188 CG PHE A 15 6.273 -9.112 -10.435 1.00 52.20 C ATOM 189 CD1 PHE A 15 6.768 -8.450 -11.547 1.00 73.34 C ATOM 190 CD2 PHE A 15 6.995 -9.061 -9.254 1.00 11.23 C ATOM 191 CE1 PHE A 15 7.959 -7.753 -11.483 1.00 24.43 C ATOM 192 CE2 PHE A 15 8.187 -8.365 -9.183 1.00 21.02 C ATOM 193 CZ PHE A 15 8.669 -7.710 -10.299 1.00 4.43 C ATOM 0 H PHE A 15 2.693 -10.506 -9.833 1.00 42.40 H new ATOM 0 HA PHE A 15 3.914 -8.011 -10.315 1.00 44.25 H new ATOM 0 HB2 PHE A 15 4.821 -10.395 -9.567 1.00 72.24 H new ATOM 0 HB3 PHE A 15 5.053 -10.627 -11.288 1.00 72.24 H new ATOM 0 HD1 PHE A 15 6.216 -8.479 -12.475 1.00 73.34 H new ATOM 0 HD2 PHE A 15 6.622 -9.571 -8.378 1.00 11.23 H new ATOM 0 HE1 PHE A 15 8.334 -7.242 -12.358 1.00 24.43 H new ATOM 0 HE2 PHE A 15 8.741 -8.333 -8.256 1.00 21.02 H new ATOM 0 HZ PHE A 15 9.600 -7.165 -10.246 1.00 4.43 H new ATOM 203 N ARG A 16 3.577 -9.861 -13.043 1.00 31.40 N ATOM 204 CA ARG A 16 3.441 -9.793 -14.493 1.00 1.11 C ATOM 205 C ARG A 16 2.220 -8.966 -14.886 1.00 63.32 C ATOM 206 O ARG A 16 2.265 -8.192 -15.842 1.00 25.03 O ATOM 207 CB ARG A 16 3.329 -11.200 -15.083 1.00 1.10 C ATOM 208 CG ARG A 16 3.479 -11.240 -16.595 1.00 4.00 C ATOM 209 CD ARG A 16 2.663 -12.368 -17.206 1.00 54.32 C ATOM 210 NE ARG A 16 3.323 -13.662 -17.063 1.00 22.25 N ATOM 211 CZ ARG A 16 2.714 -14.825 -17.266 1.00 51.11 C ATOM 212 NH1 ARG A 16 1.437 -14.855 -17.621 1.00 13.44 N ATOM 213 NH2 ARG A 16 3.383 -15.961 -17.115 1.00 75.05 N ATOM 0 H ARG A 16 3.635 -10.808 -12.669 1.00 31.40 H new ATOM 0 HA ARG A 16 4.331 -9.308 -14.894 1.00 1.11 H new ATOM 0 HB2 ARG A 16 4.092 -11.835 -14.634 1.00 1.10 H new ATOM 0 HB3 ARG A 16 2.362 -11.623 -14.811 1.00 1.10 H new ATOM 0 HG2 ARG A 16 3.160 -10.288 -17.019 1.00 4.00 H new ATOM 0 HG3 ARG A 16 4.530 -11.368 -16.854 1.00 4.00 H new ATOM 0 HD2 ARG A 16 1.684 -12.406 -16.729 1.00 54.32 H new ATOM 0 HD3 ARG A 16 2.495 -12.162 -18.263 1.00 54.32 H new ATOM 0 HE ARG A 16 4.306 -13.674 -16.792 1.00 22.25 H new ATOM 0 HH11 ARG A 16 0.920 -13.984 -17.739 1.00 13.44 H new ATOM 0 HH12 ARG A 16 0.972 -15.749 -17.776 1.00 13.44 H new ATOM 0 HH21 ARG A 16 4.366 -15.942 -16.843 1.00 75.05 H new ATOM 0 HH22 ARG A 16 2.914 -16.853 -17.271 1.00 75.05 H new ATOM 227 N GLN A 17 1.132 -9.137 -14.143 1.00 73.40 N ATOM 228 CA GLN A 17 -0.101 -8.408 -14.415 1.00 50.14 C ATOM 229 C GLN A 17 0.150 -6.904 -14.439 1.00 43.10 C ATOM 230 O GLN A 17 -0.058 -6.244 -15.458 1.00 30.53 O ATOM 231 CB GLN A 17 -1.160 -8.744 -13.364 1.00 11.41 C ATOM 232 CG GLN A 17 -2.497 -8.063 -13.608 1.00 52.13 C ATOM 233 CD GLN A 17 -2.514 -6.622 -13.136 1.00 64.35 C ATOM 234 OE1 GLN A 17 -2.165 -6.327 -11.993 1.00 25.50 O ATOM 235 NE2 GLN A 17 -2.920 -5.715 -14.017 1.00 31.30 N ATOM 0 H GLN A 17 1.079 -9.774 -13.348 1.00 73.40 H new ATOM 0 HA GLN A 17 -0.465 -8.713 -15.396 1.00 50.14 H new ATOM 0 HB2 GLN A 17 -1.310 -9.823 -13.344 1.00 11.41 H new ATOM 0 HB3 GLN A 17 -0.789 -8.455 -12.381 1.00 11.41 H new ATOM 0 HG2 GLN A 17 -2.728 -8.095 -14.673 1.00 52.13 H new ATOM 0 HG3 GLN A 17 -3.282 -8.618 -13.095 1.00 52.13 H new ATOM 0 HE21 GLN A 17 -3.200 -6.004 -14.954 1.00 31.30 H new ATOM 0 HE22 GLN A 17 -2.951 -4.729 -13.757 1.00 31.30 H new ATOM 244 N LYS A 18 0.599 -6.366 -13.310 1.00 21.31 N ATOM 245 CA LYS A 18 0.880 -4.940 -13.200 1.00 2.22 C ATOM 246 C LYS A 18 1.787 -4.475 -14.335 1.00 11.21 C ATOM 247 O LYS A 18 1.506 -3.476 -14.998 1.00 55.15 O ATOM 248 CB LYS A 18 1.534 -4.630 -11.851 1.00 60.42 C ATOM 249 CG LYS A 18 0.547 -4.196 -10.782 1.00 53.31 C ATOM 250 CD LYS A 18 1.117 -4.384 -9.386 1.00 61.24 C ATOM 251 CE LYS A 18 0.017 -4.614 -8.361 1.00 44.40 C ATOM 252 NZ LYS A 18 0.368 -5.701 -7.405 1.00 51.45 N ATOM 0 H LYS A 18 0.776 -6.897 -12.457 1.00 21.31 H new ATOM 0 HA LYS A 18 -0.066 -4.403 -13.270 1.00 2.22 H new ATOM 0 HB2 LYS A 18 2.067 -5.515 -11.503 1.00 60.42 H new ATOM 0 HB3 LYS A 18 2.276 -3.844 -11.989 1.00 60.42 H new ATOM 0 HG2 LYS A 18 0.286 -3.148 -10.931 1.00 53.31 H new ATOM 0 HG3 LYS A 18 -0.374 -4.771 -10.880 1.00 53.31 H new ATOM 0 HD2 LYS A 18 1.802 -5.232 -9.383 1.00 61.24 H new ATOM 0 HD3 LYS A 18 1.697 -3.504 -9.107 1.00 61.24 H new ATOM 0 HE2 LYS A 18 -0.165 -3.691 -7.811 1.00 44.40 H new ATOM 0 HE3 LYS A 18 -0.911 -4.867 -8.874 1.00 44.40 H new ATOM 0 HZ1 LYS A 18 -0.502 -6.151 -7.056 1.00 51.45 H new ATOM 0 HZ2 LYS A 18 0.955 -6.411 -7.887 1.00 51.45 H new ATOM 0 HZ3 LYS A 18 0.896 -5.301 -6.603 1.00 51.45 H new ATOM 266 N LEU A 19 2.875 -5.205 -14.554 1.00 34.20 N ATOM 267 CA LEU A 19 3.822 -4.868 -15.611 1.00 24.44 C ATOM 268 C LEU A 19 3.136 -4.854 -16.973 1.00 5.20 C ATOM 269 O LEU A 19 3.387 -3.974 -17.797 1.00 3.13 O ATOM 270 CB LEU A 19 4.981 -5.867 -15.621 1.00 20.10 C ATOM 271 CG LEU A 19 6.117 -5.588 -14.636 1.00 52.40 C ATOM 272 CD1 LEU A 19 7.253 -4.850 -15.327 1.00 11.52 C ATOM 273 CD2 LEU A 19 5.606 -4.790 -13.445 1.00 51.43 C ATOM 0 H LEU A 19 3.123 -6.034 -14.014 1.00 34.20 H new ATOM 0 HA LEU A 19 4.212 -3.870 -15.411 1.00 24.44 H new ATOM 0 HB2 LEU A 19 4.581 -6.859 -15.411 1.00 20.10 H new ATOM 0 HB3 LEU A 19 5.399 -5.898 -16.627 1.00 20.10 H new ATOM 0 HG LEU A 19 6.499 -6.542 -14.272 1.00 52.40 H new ATOM 0 HD11 LEU A 19 8.052 -4.660 -14.611 1.00 11.52 H new ATOM 0 HD12 LEU A 19 7.637 -5.458 -16.146 1.00 11.52 H new ATOM 0 HD13 LEU A 19 6.885 -3.902 -15.720 1.00 11.52 H new ATOM 0 HD21 LEU A 19 6.428 -4.601 -12.754 1.00 51.43 H new ATOM 0 HD22 LEU A 19 5.197 -3.841 -13.791 1.00 51.43 H new ATOM 0 HD23 LEU A 19 4.827 -5.356 -12.935 1.00 51.43 H new ATOM 285 N VAL A 20 2.268 -5.833 -17.203 1.00 33.31 N ATOM 286 CA VAL A 20 1.542 -5.931 -18.464 1.00 25.40 C ATOM 287 C VAL A 20 0.732 -4.668 -18.732 1.00 22.12 C ATOM 288 O VAL A 20 0.754 -4.127 -19.837 1.00 41.11 O ATOM 289 CB VAL A 20 0.596 -7.147 -18.474 1.00 43.22 C ATOM 290 CG1 VAL A 20 -0.491 -6.968 -19.523 1.00 32.35 C ATOM 291 CG2 VAL A 20 1.379 -8.428 -18.718 1.00 74.44 C ATOM 0 H VAL A 20 2.050 -6.570 -16.533 1.00 33.31 H new ATOM 0 HA VAL A 20 2.288 -6.054 -19.250 1.00 25.40 H new ATOM 0 HB VAL A 20 0.117 -7.222 -17.498 1.00 43.22 H new ATOM 0 HG11 VAL A 20 -1.150 -7.836 -19.516 1.00 32.35 H new ATOM 0 HG12 VAL A 20 -1.069 -6.072 -19.298 1.00 32.35 H new ATOM 0 HG13 VAL A 20 -0.034 -6.868 -20.507 1.00 32.35 H new ATOM 0 HG21 VAL A 20 0.695 -9.277 -18.722 1.00 74.44 H new ATOM 0 HG22 VAL A 20 1.887 -8.366 -19.681 1.00 74.44 H new ATOM 0 HG23 VAL A 20 2.117 -8.560 -17.927 1.00 74.44 H new ATOM 301 N SER A 21 0.018 -4.203 -17.712 1.00 53.31 N ATOM 302 CA SER A 21 -0.803 -3.004 -17.838 1.00 31.11 C ATOM 303 C SER A 21 0.048 -1.802 -18.237 1.00 71.41 C ATOM 304 O SER A 21 -0.350 -1.001 -19.082 1.00 43.11 O ATOM 305 CB SER A 21 -1.527 -2.716 -16.522 1.00 14.25 C ATOM 306 OG SER A 21 -2.428 -1.631 -16.662 1.00 0.21 O ATOM 0 H SER A 21 -0.009 -4.638 -16.790 1.00 53.31 H new ATOM 0 HA SER A 21 -1.542 -3.180 -18.620 1.00 31.11 H new ATOM 0 HB2 SER A 21 -2.070 -3.605 -16.200 1.00 14.25 H new ATOM 0 HB3 SER A 21 -0.798 -2.489 -15.744 1.00 14.25 H new ATOM 0 HG SER A 21 -2.879 -1.468 -15.807 1.00 0.21 H new ATOM 312 N GLN A 22 1.220 -1.685 -17.622 1.00 64.33 N ATOM 313 CA GLN A 22 2.128 -0.581 -17.913 1.00 33.35 C ATOM 314 C GLN A 22 2.487 -0.547 -19.394 1.00 53.04 C ATOM 315 O GLN A 22 2.325 0.477 -20.058 1.00 41.43 O ATOM 316 CB GLN A 22 3.399 -0.703 -17.070 1.00 72.23 C ATOM 317 CG GLN A 22 3.146 -0.629 -15.573 1.00 42.32 C ATOM 318 CD GLN A 22 2.157 0.458 -15.202 1.00 14.03 C ATOM 319 OE1 GLN A 22 2.427 1.646 -15.377 1.00 50.44 O ATOM 320 NE2 GLN A 22 1.001 0.056 -14.685 1.00 25.31 N ATOM 0 H GLN A 22 1.563 -2.340 -16.920 1.00 64.33 H new ATOM 0 HA GLN A 22 1.621 0.350 -17.660 1.00 33.35 H new ATOM 0 HB2 GLN A 22 3.889 -1.649 -17.301 1.00 72.23 H new ATOM 0 HB3 GLN A 22 4.090 0.091 -17.353 1.00 72.23 H new ATOM 0 HG2 GLN A 22 2.771 -1.591 -15.224 1.00 42.32 H new ATOM 0 HG3 GLN A 22 4.089 -0.448 -15.057 1.00 42.32 H new ATOM 0 HE21 GLN A 22 0.818 -0.939 -14.557 1.00 25.31 H new ATOM 0 HE22 GLN A 22 0.296 0.743 -14.416 1.00 25.31 H new ATOM 329 N ILE A 23 2.974 -1.672 -19.906 1.00 65.01 N ATOM 330 CA ILE A 23 3.356 -1.770 -21.310 1.00 35.14 C ATOM 331 C ILE A 23 2.180 -1.437 -22.223 1.00 24.43 C ATOM 332 O ILE A 23 2.355 -0.829 -23.278 1.00 22.01 O ATOM 333 CB ILE A 23 3.877 -3.178 -21.654 1.00 54.24 C ATOM 334 CG1 ILE A 23 5.208 -3.440 -20.947 1.00 50.15 C ATOM 335 CG2 ILE A 23 4.031 -3.331 -23.160 1.00 70.21 C ATOM 336 CD1 ILE A 23 5.713 -4.856 -21.115 1.00 54.01 C ATOM 0 H ILE A 23 3.114 -2.529 -19.370 1.00 65.01 H new ATOM 0 HA ILE A 23 4.155 -1.047 -21.472 1.00 35.14 H new ATOM 0 HB ILE A 23 3.152 -3.914 -21.306 1.00 54.24 H new ATOM 0 HG12 ILE A 23 5.957 -2.748 -21.332 1.00 50.15 H new ATOM 0 HG13 ILE A 23 5.094 -3.227 -19.884 1.00 50.15 H new ATOM 0 HG21 ILE A 23 4.400 -4.331 -23.388 1.00 70.21 H new ATOM 0 HG22 ILE A 23 3.065 -3.182 -23.642 1.00 70.21 H new ATOM 0 HG23 ILE A 23 4.739 -2.590 -23.531 1.00 70.21 H new ATOM 0 HD11 ILE A 23 6.660 -4.969 -20.588 1.00 54.01 H new ATOM 0 HD12 ILE A 23 4.983 -5.554 -20.704 1.00 54.01 H new ATOM 0 HD13 ILE A 23 5.860 -5.067 -22.174 1.00 54.01 H new ATOM 348 N GLU A 24 0.983 -1.839 -21.808 1.00 22.51 N ATOM 349 CA GLU A 24 -0.221 -1.583 -22.589 1.00 12.42 C ATOM 350 C GLU A 24 -0.559 -0.095 -22.594 1.00 51.51 C ATOM 351 O GLU A 24 -1.117 0.423 -23.562 1.00 63.12 O ATOM 352 CB GLU A 24 -1.399 -2.382 -22.029 1.00 33.43 C ATOM 353 CG GLU A 24 -2.281 -2.999 -23.101 1.00 53.14 C ATOM 354 CD GLU A 24 -3.542 -2.195 -23.353 1.00 33.12 C ATOM 355 OE1 GLU A 24 -4.333 -2.019 -22.403 1.00 55.11 O ATOM 356 OE2 GLU A 24 -3.737 -1.742 -24.500 1.00 74.23 O ATOM 0 H GLU A 24 0.821 -2.343 -20.936 1.00 22.51 H new ATOM 0 HA GLU A 24 -0.032 -1.899 -23.615 1.00 12.42 H new ATOM 0 HB2 GLU A 24 -1.016 -3.174 -21.385 1.00 33.43 H new ATOM 0 HB3 GLU A 24 -2.006 -1.728 -21.403 1.00 33.43 H new ATOM 0 HG2 GLU A 24 -1.715 -3.081 -24.029 1.00 53.14 H new ATOM 0 HG3 GLU A 24 -2.554 -4.012 -22.804 1.00 53.14 H new ATOM 363 N ASP A 25 -0.218 0.587 -21.506 1.00 40.33 N ATOM 364 CA ASP A 25 -0.484 2.016 -21.384 1.00 72.15 C ATOM 365 C ASP A 25 0.428 2.819 -22.307 1.00 14.12 C ATOM 366 O ASP A 25 -0.043 3.587 -23.146 1.00 5.04 O ATOM 367 CB ASP A 25 -0.294 2.470 -19.937 1.00 2.25 C ATOM 368 CG ASP A 25 -0.785 3.886 -19.705 1.00 24.24 C ATOM 369 OD1 ASP A 25 -1.908 4.204 -20.147 1.00 32.52 O ATOM 370 OD2 ASP A 25 -0.045 4.676 -19.082 1.00 2.14 O ATOM 0 H ASP A 25 0.243 0.173 -20.696 1.00 40.33 H new ATOM 0 HA ASP A 25 -1.518 2.195 -21.679 1.00 72.15 H new ATOM 0 HB2 ASP A 25 -0.828 1.790 -19.273 1.00 2.25 H new ATOM 0 HB3 ASP A 25 0.762 2.407 -19.675 1.00 2.25 H new ATOM 375 N ALA A 26 1.734 2.637 -22.144 1.00 60.23 N ATOM 376 CA ALA A 26 2.712 3.344 -22.963 1.00 35.44 C ATOM 377 C ALA A 26 2.458 3.107 -24.448 1.00 21.14 C ATOM 378 O ALA A 26 2.580 4.022 -25.261 1.00 51.30 O ATOM 379 CB ALA A 26 4.122 2.912 -22.591 1.00 22.44 C ATOM 0 H ALA A 26 2.140 2.006 -21.453 1.00 60.23 H new ATOM 0 HA ALA A 26 2.608 4.412 -22.769 1.00 35.44 H new ATOM 0 HB1 ALA A 26 4.842 3.447 -23.210 1.00 22.44 H new ATOM 0 HB2 ALA A 26 4.307 3.139 -21.541 1.00 22.44 H new ATOM 0 HB3 ALA A 26 4.229 1.840 -22.755 1.00 22.44 H new ATOM 385 N MET A 27 2.106 1.873 -24.794 1.00 12.13 N ATOM 386 CA MET A 27 1.835 1.517 -26.182 1.00 12.23 C ATOM 387 C MET A 27 0.621 2.275 -26.710 1.00 71.32 C ATOM 388 O MET A 27 0.640 2.796 -27.825 1.00 44.51 O ATOM 389 CB MET A 27 1.605 0.010 -26.309 1.00 30.04 C ATOM 390 CG MET A 27 2.773 -0.732 -26.937 1.00 63.21 C ATOM 391 SD MET A 27 2.992 -2.387 -26.256 1.00 73.54 S ATOM 392 CE MET A 27 1.495 -3.188 -26.827 1.00 33.40 C ATOM 0 H MET A 27 2.002 1.103 -24.133 1.00 12.13 H new ATOM 0 HA MET A 27 2.703 1.796 -26.779 1.00 12.23 H new ATOM 0 HB2 MET A 27 1.412 -0.404 -25.320 1.00 30.04 H new ATOM 0 HB3 MET A 27 0.711 -0.164 -26.908 1.00 30.04 H new ATOM 0 HG2 MET A 27 2.616 -0.804 -28.013 1.00 63.21 H new ATOM 0 HG3 MET A 27 3.687 -0.157 -26.786 1.00 63.21 H new ATOM 0 HE1 MET A 27 1.500 -4.232 -26.515 1.00 33.40 H new ATOM 0 HE2 MET A 27 0.628 -2.685 -26.399 1.00 33.40 H new ATOM 0 HE3 MET A 27 1.446 -3.134 -27.915 1.00 33.40 H new ATOM 402 N ARG A 28 -0.434 2.331 -25.903 1.00 64.52 N ATOM 403 CA ARG A 28 -1.657 3.023 -26.291 1.00 24.00 C ATOM 404 C ARG A 28 -1.355 4.452 -26.732 1.00 55.40 C ATOM 405 O ARG A 28 -1.752 4.875 -27.818 1.00 51.32 O ATOM 406 CB ARG A 28 -2.651 3.035 -25.129 1.00 13.32 C ATOM 407 CG ARG A 28 -3.810 3.999 -25.329 1.00 5.03 C ATOM 408 CD ARG A 28 -5.142 3.345 -24.998 1.00 1.14 C ATOM 409 NE ARG A 28 -6.233 4.315 -24.959 1.00 30.02 N ATOM 410 CZ ARG A 28 -6.401 5.193 -23.976 1.00 72.02 C ATOM 411 NH1 ARG A 28 -5.554 5.223 -22.957 1.00 64.11 N ATOM 412 NH2 ARG A 28 -7.419 6.044 -24.012 1.00 62.21 N ATOM 0 H ARG A 28 -0.466 1.905 -24.977 1.00 64.52 H new ATOM 0 HA ARG A 28 -2.098 2.487 -27.131 1.00 24.00 H new ATOM 0 HB2 ARG A 28 -3.046 2.029 -24.990 1.00 13.32 H new ATOM 0 HB3 ARG A 28 -2.123 3.300 -24.213 1.00 13.32 H new ATOM 0 HG2 ARG A 28 -3.668 4.877 -24.698 1.00 5.03 H new ATOM 0 HG3 ARG A 28 -3.821 4.347 -26.362 1.00 5.03 H new ATOM 0 HD2 ARG A 28 -5.364 2.579 -25.741 1.00 1.14 H new ATOM 0 HD3 ARG A 28 -5.069 2.842 -24.034 1.00 1.14 H new ATOM 0 HE ARG A 28 -6.903 4.319 -25.728 1.00 30.02 H new ATOM 0 HH11 ARG A 28 -4.770 4.571 -22.926 1.00 64.11 H new ATOM 0 HH12 ARG A 28 -5.686 5.898 -22.204 1.00 64.11 H new ATOM 0 HH21 ARG A 28 -8.073 6.024 -24.795 1.00 62.21 H new ATOM 0 HH22 ARG A 28 -7.547 6.718 -23.257 1.00 62.21 H new ATOM 426 N LYS A 29 -0.652 5.193 -25.882 1.00 31.42 N ATOM 427 CA LYS A 29 -0.296 6.574 -26.183 1.00 14.35 C ATOM 428 C LYS A 29 0.823 6.635 -27.217 1.00 2.23 C ATOM 429 O LYS A 29 0.974 7.631 -27.924 1.00 73.32 O ATOM 430 CB LYS A 29 0.134 7.301 -24.906 1.00 54.13 C ATOM 431 CG LYS A 29 -0.802 7.073 -23.732 1.00 12.41 C ATOM 432 CD LYS A 29 -0.315 7.791 -22.484 1.00 35.52 C ATOM 433 CE LYS A 29 -1.441 8.557 -21.807 1.00 13.13 C ATOM 434 NZ LYS A 29 -0.972 9.269 -20.586 1.00 23.11 N ATOM 0 H LYS A 29 -0.317 4.859 -24.978 1.00 31.42 H new ATOM 0 HA LYS A 29 -1.175 7.068 -26.597 1.00 14.35 H new ATOM 0 HB2 LYS A 29 1.136 6.972 -24.630 1.00 54.13 H new ATOM 0 HB3 LYS A 29 0.194 8.370 -25.109 1.00 54.13 H new ATOM 0 HG2 LYS A 29 -1.801 7.424 -23.989 1.00 12.41 H new ATOM 0 HG3 LYS A 29 -0.882 6.005 -23.531 1.00 12.41 H new ATOM 0 HD2 LYS A 29 0.104 7.066 -21.786 1.00 35.52 H new ATOM 0 HD3 LYS A 29 0.487 8.480 -22.749 1.00 35.52 H new ATOM 0 HE2 LYS A 29 -1.863 9.277 -22.508 1.00 13.13 H new ATOM 0 HE3 LYS A 29 -2.241 7.866 -21.540 1.00 13.13 H new ATOM 0 HZ1 LYS A 29 -1.769 9.779 -20.154 1.00 23.11 H new ATOM 0 HZ2 LYS A 29 -0.593 8.579 -19.906 1.00 23.11 H new ATOM 0 HZ3 LYS A 29 -0.227 9.947 -20.844 1.00 23.11 H new ATOM 448 N ALA A 30 1.605 5.564 -27.300 1.00 30.45 N ATOM 449 CA ALA A 30 2.708 5.495 -28.250 1.00 21.53 C ATOM 450 C ALA A 30 2.195 5.449 -29.685 1.00 35.32 C ATOM 451 O ALA A 30 2.879 5.876 -30.613 1.00 51.53 O ATOM 452 CB ALA A 30 3.579 4.281 -27.960 1.00 1.12 C ATOM 0 H ALA A 30 1.495 4.732 -26.720 1.00 30.45 H new ATOM 0 HA ALA A 30 3.310 6.397 -28.136 1.00 21.53 H new ATOM 0 HB1 ALA A 30 4.399 4.242 -28.677 1.00 1.12 H new ATOM 0 HB2 ALA A 30 3.983 4.356 -26.950 1.00 1.12 H new ATOM 0 HB3 ALA A 30 2.980 3.375 -28.044 1.00 1.12 H new ATOM 458 N GLY A 31 0.984 4.926 -29.859 1.00 64.02 N ATOM 459 CA GLY A 31 0.400 4.833 -31.185 1.00 4.25 C ATOM 460 C GLY A 31 1.323 4.156 -32.179 1.00 11.15 C ATOM 461 O GLY A 31 2.003 4.822 -32.959 1.00 2.31 O ATOM 0 H GLY A 31 0.398 4.566 -29.106 1.00 64.02 H new ATOM 0 HA2 GLY A 31 -0.537 4.279 -31.128 1.00 4.25 H new ATOM 0 HA3 GLY A 31 0.157 5.834 -31.543 1.00 4.25 H new ATOM 563 N LYS A 39 -0.524 -8.245 -24.339 1.00 1.14 N ATOM 564 CA LYS A 39 -0.509 -9.527 -23.645 1.00 32.32 C ATOM 565 C LYS A 39 0.511 -10.473 -24.271 1.00 2.35 C ATOM 566 O LYS A 39 1.245 -11.164 -23.564 1.00 63.34 O ATOM 567 CB LYS A 39 -1.900 -10.165 -23.680 1.00 22.33 C ATOM 568 CG LYS A 39 -2.647 -10.068 -22.361 1.00 21.12 C ATOM 569 CD LYS A 39 -3.551 -11.270 -22.142 1.00 3.20 C ATOM 570 CE LYS A 39 -4.018 -11.360 -20.697 1.00 64.42 C ATOM 571 NZ LYS A 39 -4.044 -12.767 -20.210 1.00 61.30 N ATOM 0 HA LYS A 39 -0.224 -9.347 -22.608 1.00 32.32 H new ATOM 0 HB2 LYS A 39 -2.492 -9.684 -24.459 1.00 22.33 H new ATOM 0 HB3 LYS A 39 -1.802 -11.215 -23.956 1.00 22.33 H new ATOM 0 HG2 LYS A 39 -1.932 -9.995 -21.541 1.00 21.12 H new ATOM 0 HG3 LYS A 39 -3.243 -9.156 -22.346 1.00 21.12 H new ATOM 0 HD2 LYS A 39 -4.416 -11.201 -22.801 1.00 3.20 H new ATOM 0 HD3 LYS A 39 -3.017 -12.182 -22.411 1.00 3.20 H new ATOM 0 HE2 LYS A 39 -3.357 -10.769 -20.064 1.00 64.42 H new ATOM 0 HE3 LYS A 39 -5.014 -10.927 -20.610 1.00 64.42 H new ATOM 0 HZ1 LYS A 39 -4.367 -12.786 -19.222 1.00 61.30 H new ATOM 0 HZ2 LYS A 39 -4.694 -13.326 -20.798 1.00 61.30 H new ATOM 0 HZ3 LYS A 39 -3.088 -13.173 -20.269 1.00 61.30 H new ATOM 585 N ASP A 40 0.553 -10.496 -25.598 1.00 73.40 N ATOM 586 CA ASP A 40 1.485 -11.355 -26.319 1.00 24.13 C ATOM 587 C ASP A 40 2.911 -10.824 -26.206 1.00 50.14 C ATOM 588 O ASP A 40 3.871 -11.593 -26.196 1.00 23.32 O ATOM 589 CB ASP A 40 1.082 -11.461 -27.790 1.00 53.12 C ATOM 590 CG ASP A 40 0.088 -12.578 -28.039 1.00 30.50 C ATOM 591 OD1 ASP A 40 0.523 -13.743 -28.159 1.00 11.23 O ATOM 592 OD2 ASP A 40 -1.125 -12.289 -28.115 1.00 4.20 O ATOM 0 H ASP A 40 -0.048 -9.929 -26.197 1.00 73.40 H new ATOM 0 HA ASP A 40 1.449 -12.347 -25.869 1.00 24.13 H new ATOM 0 HB2 ASP A 40 0.649 -10.515 -28.114 1.00 53.12 H new ATOM 0 HB3 ASP A 40 1.972 -11.629 -28.396 1.00 53.12 H new ATOM 597 N MET A 41 3.040 -9.504 -26.124 1.00 3.20 N ATOM 598 CA MET A 41 4.349 -8.870 -26.012 1.00 71.05 C ATOM 599 C MET A 41 4.988 -9.176 -24.661 1.00 53.25 C ATOM 600 O MET A 41 6.113 -9.670 -24.595 1.00 74.00 O ATOM 601 CB MET A 41 4.224 -7.357 -26.200 1.00 1.20 C ATOM 602 CG MET A 41 4.552 -6.890 -27.609 1.00 10.11 C ATOM 603 SD MET A 41 3.125 -6.185 -28.457 1.00 22.42 S ATOM 604 CE MET A 41 3.932 -5.221 -29.733 1.00 34.22 C ATOM 0 H MET A 41 2.255 -8.853 -26.133 1.00 3.20 H new ATOM 0 HA MET A 41 4.989 -9.274 -26.796 1.00 71.05 H new ATOM 0 HB2 MET A 41 3.208 -7.051 -25.952 1.00 1.20 H new ATOM 0 HB3 MET A 41 4.888 -6.856 -25.496 1.00 1.20 H new ATOM 0 HG2 MET A 41 5.348 -6.146 -27.565 1.00 10.11 H new ATOM 0 HG3 MET A 41 4.934 -7.732 -28.187 1.00 10.11 H new ATOM 0 HE1 MET A 41 3.179 -4.723 -30.343 1.00 34.22 H new ATOM 0 HE2 MET A 41 4.577 -4.474 -29.271 1.00 34.22 H new ATOM 0 HE3 MET A 41 4.531 -5.879 -30.362 1.00 34.22 H new ATOM 614 N GLU A 42 4.262 -8.878 -23.588 1.00 5.02 N ATOM 615 CA GLU A 42 4.761 -9.121 -22.239 1.00 54.30 C ATOM 616 C GLU A 42 5.010 -10.609 -22.011 1.00 15.25 C ATOM 617 O GLU A 42 5.981 -10.994 -21.360 1.00 10.20 O ATOM 618 CB GLU A 42 3.767 -8.593 -21.202 1.00 32.51 C ATOM 619 CG GLU A 42 3.447 -7.116 -21.361 1.00 25.53 C ATOM 620 CD GLU A 42 1.973 -6.861 -21.606 1.00 60.54 C ATOM 621 OE1 GLU A 42 1.203 -7.842 -21.670 1.00 62.50 O ATOM 622 OE2 GLU A 42 1.589 -5.680 -21.735 1.00 3.22 O ATOM 0 H GLU A 42 3.328 -8.469 -23.626 1.00 5.02 H new ATOM 0 HA GLU A 42 5.707 -8.591 -22.127 1.00 54.30 H new ATOM 0 HB2 GLU A 42 2.842 -9.166 -21.273 1.00 32.51 H new ATOM 0 HB3 GLU A 42 4.171 -8.763 -20.204 1.00 32.51 H new ATOM 0 HG2 GLU A 42 3.760 -6.582 -20.464 1.00 25.53 H new ATOM 0 HG3 GLU A 42 4.025 -6.710 -22.191 1.00 25.53 H new ATOM 629 N SER A 43 4.124 -11.441 -22.550 1.00 42.51 N ATOM 630 CA SER A 43 4.244 -12.886 -22.402 1.00 25.21 C ATOM 631 C SER A 43 5.559 -13.385 -22.994 1.00 30.50 C ATOM 632 O SER A 43 6.263 -14.190 -22.382 1.00 40.33 O ATOM 633 CB SER A 43 3.067 -13.589 -23.080 1.00 30.31 C ATOM 634 OG SER A 43 3.446 -14.866 -23.564 1.00 73.04 O ATOM 0 H SER A 43 3.315 -11.138 -23.093 1.00 42.51 H new ATOM 0 HA SER A 43 4.233 -13.120 -21.337 1.00 25.21 H new ATOM 0 HB2 SER A 43 2.245 -13.694 -22.372 1.00 30.31 H new ATOM 0 HB3 SER A 43 2.701 -12.978 -23.905 1.00 30.31 H new ATOM 0 HG SER A 43 2.676 -15.296 -23.992 1.00 73.04 H new ATOM 640 N HIS A 44 5.884 -12.903 -24.189 1.00 54.32 N ATOM 641 CA HIS A 44 7.114 -13.299 -24.865 1.00 52.33 C ATOM 642 C HIS A 44 8.338 -12.865 -24.064 1.00 52.24 C ATOM 643 O HIS A 44 9.312 -13.609 -23.948 1.00 12.42 O ATOM 644 CB HIS A 44 7.167 -12.694 -26.268 1.00 42.54 C ATOM 645 CG HIS A 44 8.256 -13.262 -27.125 1.00 22.20 C ATOM 646 ND1 HIS A 44 8.639 -12.702 -28.325 1.00 64.45 N ATOM 647 CD2 HIS A 44 9.047 -14.347 -26.948 1.00 54.30 C ATOM 648 CE1 HIS A 44 9.617 -13.419 -28.851 1.00 0.12 C ATOM 649 NE2 HIS A 44 9.883 -14.422 -28.034 1.00 64.32 N ATOM 0 H HIS A 44 5.313 -12.237 -24.709 1.00 54.32 H new ATOM 0 HA HIS A 44 7.122 -14.386 -24.946 1.00 52.33 H new ATOM 0 HB2 HIS A 44 6.208 -12.854 -26.760 1.00 42.54 H new ATOM 0 HB3 HIS A 44 7.306 -11.616 -26.185 1.00 42.54 H new ATOM 0 HD2 HIS A 44 9.024 -15.026 -26.109 1.00 54.30 H new ATOM 0 HE1 HIS A 44 10.114 -13.219 -29.789 1.00 0.12 H new ATOM 0 HE2 HIS A 44 10.595 -15.137 -28.186 1.00 64.32 H new ATOM 657 N VAL A 45 8.281 -11.656 -23.515 1.00 3.23 N ATOM 658 CA VAL A 45 9.385 -11.123 -22.725 1.00 13.23 C ATOM 659 C VAL A 45 9.694 -12.024 -21.534 1.00 54.32 C ATOM 660 O VAL A 45 10.856 -12.269 -21.213 1.00 65.30 O ATOM 661 CB VAL A 45 9.075 -9.703 -22.213 1.00 73.35 C ATOM 662 CG1 VAL A 45 10.301 -9.094 -21.552 1.00 24.11 C ATOM 663 CG2 VAL A 45 8.580 -8.824 -23.352 1.00 4.31 C ATOM 0 H VAL A 45 7.483 -11.027 -23.603 1.00 3.23 H new ATOM 0 HA VAL A 45 10.254 -11.083 -23.382 1.00 13.23 H new ATOM 0 HB VAL A 45 8.285 -9.769 -21.465 1.00 73.35 H new ATOM 0 HG11 VAL A 45 10.063 -8.091 -21.197 1.00 24.11 H new ATOM 0 HG12 VAL A 45 10.606 -9.714 -20.709 1.00 24.11 H new ATOM 0 HG13 VAL A 45 11.115 -9.039 -22.275 1.00 24.11 H new ATOM 0 HG21 VAL A 45 8.366 -7.825 -22.974 1.00 4.31 H new ATOM 0 HG22 VAL A 45 9.347 -8.763 -24.124 1.00 4.31 H new ATOM 0 HG23 VAL A 45 7.672 -9.254 -23.775 1.00 4.31 H new ATOM 673 N PHE A 46 8.644 -12.514 -20.883 1.00 25.43 N ATOM 674 CA PHE A 46 8.803 -13.389 -19.726 1.00 41.43 C ATOM 675 C PHE A 46 9.500 -14.688 -20.119 1.00 21.15 C ATOM 676 O PHE A 46 10.559 -15.023 -19.586 1.00 31.51 O ATOM 677 CB PHE A 46 7.440 -13.696 -19.102 1.00 5.11 C ATOM 678 CG PHE A 46 7.524 -14.141 -17.670 1.00 10.54 C ATOM 679 CD1 PHE A 46 7.968 -15.414 -17.350 1.00 44.45 C ATOM 680 CD2 PHE A 46 7.159 -13.285 -16.643 1.00 33.45 C ATOM 681 CE1 PHE A 46 8.045 -15.825 -16.033 1.00 63.34 C ATOM 682 CE2 PHE A 46 7.234 -13.692 -15.323 1.00 50.44 C ATOM 683 CZ PHE A 46 7.679 -14.963 -15.019 1.00 11.14 C ATOM 0 H PHE A 46 7.675 -12.321 -21.136 1.00 25.43 H new ATOM 0 HA PHE A 46 9.422 -12.873 -18.993 1.00 41.43 H new ATOM 0 HB2 PHE A 46 6.813 -12.806 -19.162 1.00 5.11 H new ATOM 0 HB3 PHE A 46 6.948 -14.473 -19.687 1.00 5.11 H new ATOM 0 HD1 PHE A 46 8.257 -16.093 -18.139 1.00 44.45 H new ATOM 0 HD2 PHE A 46 6.812 -12.289 -16.876 1.00 33.45 H new ATOM 0 HE1 PHE A 46 8.391 -16.820 -15.797 1.00 63.34 H new ATOM 0 HE2 PHE A 46 6.945 -13.016 -14.531 1.00 50.44 H new ATOM 0 HZ PHE A 46 7.741 -15.282 -13.989 1.00 11.14 H new ATOM 693 N LEU A 47 8.899 -15.416 -21.053 1.00 34.22 N ATOM 694 CA LEU A 47 9.460 -16.680 -21.517 1.00 41.03 C ATOM 695 C LEU A 47 10.841 -16.470 -22.131 1.00 12.34 C ATOM 696 O LEU A 47 11.628 -17.409 -22.253 1.00 55.20 O ATOM 697 CB LEU A 47 8.528 -17.329 -22.542 1.00 11.02 C ATOM 698 CG LEU A 47 7.300 -18.043 -21.975 1.00 4.12 C ATOM 699 CD1 LEU A 47 6.123 -17.919 -22.929 1.00 73.41 C ATOM 700 CD2 LEU A 47 7.614 -19.506 -21.699 1.00 25.11 C ATOM 0 H LEU A 47 8.023 -15.153 -21.504 1.00 34.22 H new ATOM 0 HA LEU A 47 9.561 -17.342 -20.657 1.00 41.03 H new ATOM 0 HB2 LEU A 47 8.188 -16.558 -23.234 1.00 11.02 H new ATOM 0 HB3 LEU A 47 9.105 -18.048 -23.124 1.00 11.02 H new ATOM 0 HG LEU A 47 7.029 -17.567 -21.033 1.00 4.12 H new ATOM 0 HD11 LEU A 47 5.258 -18.433 -22.509 1.00 73.41 H new ATOM 0 HD12 LEU A 47 5.883 -16.866 -23.076 1.00 73.41 H new ATOM 0 HD13 LEU A 47 6.382 -18.369 -23.887 1.00 73.41 H new ATOM 0 HD21 LEU A 47 6.729 -19.998 -21.296 1.00 25.11 H new ATOM 0 HD22 LEU A 47 7.911 -19.996 -22.626 1.00 25.11 H new ATOM 0 HD23 LEU A 47 8.427 -19.574 -20.977 1.00 25.11 H new ATOM 712 N LYS A 48 11.130 -15.231 -22.513 1.00 41.40 N ATOM 713 CA LYS A 48 12.417 -14.894 -23.110 1.00 70.45 C ATOM 714 C LYS A 48 13.425 -14.491 -22.039 1.00 43.15 C ATOM 715 O LYS A 48 14.635 -14.592 -22.243 1.00 53.50 O ATOM 716 CB LYS A 48 12.251 -13.759 -24.124 1.00 23.45 C ATOM 717 CG LYS A 48 13.569 -13.200 -24.631 1.00 40.10 C ATOM 718 CD LYS A 48 13.424 -12.605 -26.022 1.00 14.25 C ATOM 719 CE LYS A 48 14.690 -11.882 -26.454 1.00 1.24 C ATOM 720 NZ LYS A 48 14.394 -10.741 -27.364 1.00 64.00 N ATOM 0 H LYS A 48 10.490 -14.443 -22.420 1.00 41.40 H new ATOM 0 HA LYS A 48 12.794 -15.779 -23.623 1.00 70.45 H new ATOM 0 HB2 LYS A 48 11.670 -14.122 -24.972 1.00 23.45 H new ATOM 0 HB3 LYS A 48 11.677 -12.954 -23.665 1.00 23.45 H new ATOM 0 HG2 LYS A 48 13.930 -12.435 -23.943 1.00 40.10 H new ATOM 0 HG3 LYS A 48 14.318 -13.992 -24.649 1.00 40.10 H new ATOM 0 HD2 LYS A 48 13.195 -13.397 -26.735 1.00 14.25 H new ATOM 0 HD3 LYS A 48 12.584 -11.910 -26.036 1.00 14.25 H new ATOM 0 HE2 LYS A 48 15.218 -11.517 -25.573 1.00 1.24 H new ATOM 0 HE3 LYS A 48 15.356 -12.584 -26.956 1.00 1.24 H new ATOM 0 HZ1 LYS A 48 15.283 -10.274 -27.636 1.00 64.00 H new ATOM 0 HZ2 LYS A 48 13.913 -11.093 -28.216 1.00 64.00 H new ATOM 0 HZ3 LYS A 48 13.780 -10.058 -26.876 1.00 64.00 H new ATOM 734 N ALA A 49 12.919 -14.035 -20.898 1.00 61.52 N ATOM 735 CA ALA A 49 13.776 -13.621 -19.794 1.00 53.53 C ATOM 736 C ALA A 49 14.205 -14.817 -18.952 1.00 74.43 C ATOM 737 O ALA A 49 13.510 -15.833 -18.898 1.00 43.33 O ATOM 738 CB ALA A 49 13.061 -12.593 -18.929 1.00 60.10 C ATOM 0 H ALA A 49 11.920 -13.943 -20.714 1.00 61.52 H new ATOM 0 HA ALA A 49 14.673 -13.167 -20.214 1.00 53.53 H new ATOM 0 HB1 ALA A 49 13.712 -12.292 -18.108 1.00 60.10 H new ATOM 0 HB2 ALA A 49 12.811 -11.720 -19.532 1.00 60.10 H new ATOM 0 HB3 ALA A 49 12.147 -13.029 -18.526 1.00 60.10 H new ATOM 744 N LYS A 50 15.353 -14.692 -18.296 1.00 64.25 N ATOM 745 CA LYS A 50 15.876 -15.763 -17.456 1.00 72.11 C ATOM 746 C LYS A 50 15.610 -15.476 -15.982 1.00 23.34 C ATOM 747 O LYS A 50 15.542 -16.393 -15.162 1.00 73.01 O ATOM 748 CB LYS A 50 17.378 -15.936 -17.690 1.00 61.44 C ATOM 749 CG LYS A 50 17.722 -17.108 -18.594 1.00 34.35 C ATOM 750 CD LYS A 50 18.204 -16.640 -19.956 1.00 52.41 C ATOM 751 CE LYS A 50 17.830 -17.628 -21.050 1.00 23.41 C ATOM 752 NZ LYS A 50 18.980 -17.921 -21.949 1.00 45.15 N ATOM 0 H LYS A 50 15.940 -13.859 -18.330 1.00 64.25 H new ATOM 0 HA LYS A 50 15.364 -16.686 -17.727 1.00 72.11 H new ATOM 0 HB2 LYS A 50 17.777 -15.021 -18.128 1.00 61.44 H new ATOM 0 HB3 LYS A 50 17.874 -16.072 -16.729 1.00 61.44 H new ATOM 0 HG2 LYS A 50 18.494 -17.717 -18.124 1.00 34.35 H new ATOM 0 HG3 LYS A 50 16.845 -17.744 -18.716 1.00 34.35 H new ATOM 0 HD2 LYS A 50 17.771 -15.665 -20.181 1.00 52.41 H new ATOM 0 HD3 LYS A 50 19.286 -16.511 -19.935 1.00 52.41 H new ATOM 0 HE2 LYS A 50 17.477 -18.555 -20.597 1.00 23.41 H new ATOM 0 HE3 LYS A 50 17.004 -17.225 -21.636 1.00 23.41 H new ATOM 0 HZ1 LYS A 50 18.685 -18.598 -22.681 1.00 45.15 H new ATOM 0 HZ2 LYS A 50 19.301 -17.041 -22.401 1.00 45.15 H new ATOM 0 HZ3 LYS A 50 19.759 -18.329 -21.394 1.00 45.15 H new ATOM 766 N THR A 51 15.460 -14.198 -15.650 1.00 0.33 N ATOM 767 CA THR A 51 15.202 -13.790 -14.274 1.00 74.35 C ATOM 768 C THR A 51 14.382 -12.506 -14.226 1.00 75.32 C ATOM 769 O THR A 51 14.152 -11.866 -15.252 1.00 64.15 O ATOM 770 CB THR A 51 16.513 -13.578 -13.496 1.00 4.24 C ATOM 771 OG1 THR A 51 17.254 -12.495 -14.070 1.00 23.31 O ATOM 772 CG2 THR A 51 17.361 -14.841 -13.507 1.00 74.34 C ATOM 0 H THR A 51 15.513 -13.427 -16.315 1.00 0.33 H new ATOM 0 HA THR A 51 14.637 -14.596 -13.806 1.00 74.35 H new ATOM 0 HB THR A 51 16.261 -13.338 -12.463 1.00 4.24 H new ATOM 0 HG1 THR A 51 18.086 -12.366 -13.568 1.00 23.31 H new ATOM 0 HG21 THR A 51 18.282 -14.666 -12.951 1.00 74.34 H new ATOM 0 HG22 THR A 51 16.806 -15.656 -13.042 1.00 74.34 H new ATOM 0 HG23 THR A 51 17.604 -15.107 -14.536 1.00 74.34 H new ATOM 780 N ARG A 52 13.942 -12.135 -13.028 1.00 45.31 N ATOM 781 CA ARG A 52 13.147 -10.926 -12.847 1.00 20.42 C ATOM 782 C ARG A 52 13.865 -9.711 -13.427 1.00 33.03 C ATOM 783 O ARG A 52 13.230 -8.735 -13.826 1.00 13.45 O ATOM 784 CB ARG A 52 12.856 -10.700 -11.362 1.00 51.12 C ATOM 785 CG ARG A 52 14.056 -10.198 -10.576 1.00 31.01 C ATOM 786 CD ARG A 52 13.748 -10.104 -9.090 1.00 3.14 C ATOM 787 NE ARG A 52 14.880 -9.583 -8.328 1.00 44.33 N ATOM 788 CZ ARG A 52 14.774 -9.084 -7.102 1.00 11.13 C ATOM 789 NH1 ARG A 52 13.593 -9.039 -6.501 1.00 31.21 N ATOM 790 NH2 ARG A 52 15.851 -8.629 -6.474 1.00 15.25 N ATOM 0 H ARG A 52 14.122 -12.654 -12.169 1.00 45.31 H new ATOM 0 HA ARG A 52 12.205 -11.057 -13.379 1.00 20.42 H new ATOM 0 HB2 ARG A 52 12.042 -9.981 -11.265 1.00 51.12 H new ATOM 0 HB3 ARG A 52 12.509 -11.635 -10.922 1.00 51.12 H new ATOM 0 HG2 ARG A 52 14.901 -10.869 -10.732 1.00 31.01 H new ATOM 0 HG3 ARG A 52 14.353 -9.218 -10.950 1.00 31.01 H new ATOM 0 HD2 ARG A 52 12.882 -9.459 -8.939 1.00 3.14 H new ATOM 0 HD3 ARG A 52 13.480 -11.091 -8.712 1.00 3.14 H new ATOM 0 HE ARG A 52 15.803 -9.604 -8.762 1.00 44.33 H new ATOM 0 HH11 ARG A 52 12.763 -9.388 -6.980 1.00 31.21 H new ATOM 0 HH12 ARG A 52 13.514 -8.655 -5.559 1.00 31.21 H new ATOM 0 HH21 ARG A 52 16.761 -8.662 -6.933 1.00 15.25 H new ATOM 0 HH22 ARG A 52 15.768 -8.246 -5.532 1.00 15.25 H new ATOM 804 N ASP A 53 15.191 -9.778 -13.470 1.00 33.35 N ATOM 805 CA ASP A 53 15.995 -8.684 -14.001 1.00 30.02 C ATOM 806 C ASP A 53 15.859 -8.597 -15.518 1.00 5.22 C ATOM 807 O ASP A 53 15.544 -7.539 -16.062 1.00 32.31 O ATOM 808 CB ASP A 53 17.464 -8.870 -13.617 1.00 50.44 C ATOM 809 CG ASP A 53 18.381 -7.920 -14.363 1.00 22.13 C ATOM 810 OD1 ASP A 53 18.108 -6.701 -14.354 1.00 72.32 O ATOM 811 OD2 ASP A 53 19.373 -8.396 -14.954 1.00 10.52 O ATOM 0 H ASP A 53 15.732 -10.579 -13.143 1.00 33.35 H new ATOM 0 HA ASP A 53 15.630 -7.753 -13.568 1.00 30.02 H new ATOM 0 HB2 ASP A 53 17.579 -8.714 -12.544 1.00 50.44 H new ATOM 0 HB3 ASP A 53 17.764 -9.897 -13.824 1.00 50.44 H new ATOM 816 N GLU A 54 16.101 -9.716 -16.194 1.00 4.41 N ATOM 817 CA GLU A 54 16.008 -9.764 -17.648 1.00 40.23 C ATOM 818 C GLU A 54 14.672 -9.202 -18.127 1.00 3.14 C ATOM 819 O GLU A 54 14.627 -8.347 -19.011 1.00 43.33 O ATOM 820 CB GLU A 54 16.176 -11.201 -18.145 1.00 23.20 C ATOM 821 CG GLU A 54 16.395 -11.305 -19.645 1.00 73.20 C ATOM 822 CD GLU A 54 17.118 -12.577 -20.042 1.00 73.54 C ATOM 823 OE1 GLU A 54 18.004 -13.020 -19.282 1.00 14.44 O ATOM 824 OE2 GLU A 54 16.797 -13.131 -21.115 1.00 72.10 O ATOM 0 H GLU A 54 16.363 -10.600 -15.758 1.00 4.41 H new ATOM 0 HA GLU A 54 16.809 -9.149 -18.058 1.00 40.23 H new ATOM 0 HB2 GLU A 54 17.021 -11.658 -17.630 1.00 23.20 H new ATOM 0 HB3 GLU A 54 15.290 -11.776 -17.875 1.00 23.20 H new ATOM 0 HG2 GLU A 54 15.431 -11.266 -20.153 1.00 73.20 H new ATOM 0 HG3 GLU A 54 16.970 -10.444 -19.985 1.00 73.20 H new ATOM 831 N TYR A 55 13.587 -9.689 -17.536 1.00 11.02 N ATOM 832 CA TYR A 55 12.250 -9.239 -17.903 1.00 14.52 C ATOM 833 C TYR A 55 12.084 -7.746 -17.633 1.00 23.00 C ATOM 834 O TYR A 55 11.778 -6.969 -18.539 1.00 23.24 O ATOM 835 CB TYR A 55 11.192 -10.028 -17.129 1.00 64.21 C ATOM 836 CG TYR A 55 9.794 -9.473 -17.276 1.00 52.23 C ATOM 837 CD1 TYR A 55 9.031 -9.749 -18.404 1.00 71.13 C ATOM 838 CD2 TYR A 55 9.236 -8.671 -16.288 1.00 73.33 C ATOM 839 CE1 TYR A 55 7.753 -9.243 -18.544 1.00 32.44 C ATOM 840 CE2 TYR A 55 7.958 -8.163 -16.418 1.00 50.44 C ATOM 841 CZ TYR A 55 7.221 -8.451 -17.548 1.00 34.22 C ATOM 842 OH TYR A 55 5.948 -7.945 -17.682 1.00 20.12 O ATOM 0 H TYR A 55 13.607 -10.396 -16.801 1.00 11.02 H new ATOM 0 HA TYR A 55 12.116 -9.415 -18.970 1.00 14.52 H new ATOM 0 HB2 TYR A 55 11.201 -11.063 -17.471 1.00 64.21 H new ATOM 0 HB3 TYR A 55 11.460 -10.039 -16.073 1.00 64.21 H new ATOM 0 HD1 TYR A 55 9.444 -10.370 -19.185 1.00 71.13 H new ATOM 0 HD2 TYR A 55 9.811 -8.441 -15.403 1.00 73.33 H new ATOM 0 HE1 TYR A 55 7.174 -9.466 -19.428 1.00 32.44 H new ATOM 0 HE2 TYR A 55 7.538 -7.544 -15.639 1.00 50.44 H new ATOM 0 HH TYR A 55 5.388 -8.268 -16.945 1.00 20.12 H new ATOM 852 N LEU A 56 12.290 -7.352 -16.381 1.00 55.21 N ATOM 853 CA LEU A 56 12.165 -5.952 -15.990 1.00 35.14 C ATOM 854 C LEU A 56 13.005 -5.056 -16.894 1.00 71.51 C ATOM 855 O LEU A 56 12.677 -3.889 -17.106 1.00 60.15 O ATOM 856 CB LEU A 56 12.592 -5.770 -14.532 1.00 43.53 C ATOM 857 CG LEU A 56 11.521 -6.052 -13.478 1.00 43.50 C ATOM 858 CD1 LEU A 56 12.155 -6.586 -12.203 1.00 71.32 C ATOM 859 CD2 LEU A 56 10.714 -4.794 -13.188 1.00 64.30 C ATOM 0 H LEU A 56 12.544 -7.982 -15.620 1.00 55.21 H new ATOM 0 HA LEU A 56 11.119 -5.663 -16.095 1.00 35.14 H new ATOM 0 HB2 LEU A 56 13.443 -6.423 -14.340 1.00 43.53 H new ATOM 0 HB3 LEU A 56 12.940 -4.745 -14.402 1.00 43.53 H new ATOM 0 HG LEU A 56 10.844 -6.812 -13.869 1.00 43.50 H new ATOM 0 HD11 LEU A 56 11.378 -6.781 -11.464 1.00 71.32 H new ATOM 0 HD12 LEU A 56 12.688 -7.511 -12.422 1.00 71.32 H new ATOM 0 HD13 LEU A 56 12.854 -5.849 -11.808 1.00 71.32 H new ATOM 0 HD21 LEU A 56 9.956 -5.013 -12.436 1.00 64.30 H new ATOM 0 HD22 LEU A 56 11.378 -4.013 -12.818 1.00 64.30 H new ATOM 0 HD23 LEU A 56 10.229 -4.454 -14.103 1.00 64.30 H new ATOM 871 N SER A 57 14.089 -5.612 -17.426 1.00 40.11 N ATOM 872 CA SER A 57 14.978 -4.863 -18.307 1.00 74.00 C ATOM 873 C SER A 57 14.352 -4.686 -19.687 1.00 54.30 C ATOM 874 O SER A 57 14.213 -3.565 -20.179 1.00 74.24 O ATOM 875 CB SER A 57 16.325 -5.577 -18.434 1.00 10.44 C ATOM 876 OG SER A 57 17.361 -4.660 -18.742 1.00 14.22 O ATOM 0 H SER A 57 14.373 -6.578 -17.262 1.00 40.11 H new ATOM 0 HA SER A 57 15.137 -3.877 -17.870 1.00 74.00 H new ATOM 0 HB2 SER A 57 16.556 -6.092 -17.502 1.00 10.44 H new ATOM 0 HB3 SER A 57 16.265 -6.338 -19.212 1.00 10.44 H new ATOM 0 HG SER A 57 18.212 -5.141 -18.816 1.00 14.22 H new ATOM 882 N LEU A 58 13.976 -5.799 -20.306 1.00 74.04 N ATOM 883 CA LEU A 58 13.364 -5.769 -21.630 1.00 53.34 C ATOM 884 C LEU A 58 12.058 -4.980 -21.609 1.00 62.10 C ATOM 885 O LEU A 58 11.739 -4.262 -22.556 1.00 40.25 O ATOM 886 CB LEU A 58 13.105 -7.192 -22.127 1.00 31.21 C ATOM 887 CG LEU A 58 14.289 -7.898 -22.790 1.00 12.45 C ATOM 888 CD1 LEU A 58 14.297 -9.376 -22.433 1.00 75.15 C ATOM 889 CD2 LEU A 58 14.244 -7.711 -24.299 1.00 40.11 C ATOM 0 H LEU A 58 14.084 -6.734 -19.913 1.00 74.04 H new ATOM 0 HA LEU A 58 14.056 -5.273 -22.311 1.00 53.34 H new ATOM 0 HB2 LEU A 58 12.775 -7.796 -21.282 1.00 31.21 H new ATOM 0 HB3 LEU A 58 12.280 -7.162 -22.839 1.00 31.21 H new ATOM 0 HG LEU A 58 15.210 -7.451 -22.416 1.00 12.45 H new ATOM 0 HD11 LEU A 58 15.146 -9.862 -22.914 1.00 75.15 H new ATOM 0 HD12 LEU A 58 14.379 -9.489 -21.352 1.00 75.15 H new ATOM 0 HD13 LEU A 58 13.372 -9.838 -22.777 1.00 75.15 H new ATOM 0 HD21 LEU A 58 15.094 -8.220 -24.754 1.00 40.11 H new ATOM 0 HD22 LEU A 58 13.317 -8.131 -24.690 1.00 40.11 H new ATOM 0 HD23 LEU A 58 14.289 -6.648 -24.535 1.00 40.11 H new ATOM 901 N VAL A 59 11.308 -5.118 -20.521 1.00 15.43 N ATOM 902 CA VAL A 59 10.038 -4.416 -20.374 1.00 1.41 C ATOM 903 C VAL A 59 10.249 -2.907 -20.302 1.00 62.44 C ATOM 904 O VAL A 59 9.683 -2.153 -21.093 1.00 21.01 O ATOM 905 CB VAL A 59 9.284 -4.878 -19.113 1.00 53.40 C ATOM 906 CG1 VAL A 59 7.981 -4.107 -18.957 1.00 63.45 C ATOM 907 CG2 VAL A 59 9.024 -6.375 -19.167 1.00 73.42 C ATOM 0 H VAL A 59 11.557 -5.709 -19.728 1.00 15.43 H new ATOM 0 HA VAL A 59 9.441 -4.655 -21.254 1.00 1.41 H new ATOM 0 HB VAL A 59 9.907 -4.672 -18.242 1.00 53.40 H new ATOM 0 HG11 VAL A 59 7.462 -4.447 -18.061 1.00 63.45 H new ATOM 0 HG12 VAL A 59 8.197 -3.042 -18.870 1.00 63.45 H new ATOM 0 HG13 VAL A 59 7.350 -4.279 -19.829 1.00 63.45 H new ATOM 0 HG21 VAL A 59 8.490 -6.684 -18.268 1.00 73.42 H new ATOM 0 HG22 VAL A 59 8.422 -6.608 -20.045 1.00 73.42 H new ATOM 0 HG23 VAL A 59 9.973 -6.907 -19.227 1.00 73.42 H new ATOM 917 N ALA A 60 11.068 -2.475 -19.350 1.00 4.44 N ATOM 918 CA ALA A 60 11.357 -1.056 -19.176 1.00 73.42 C ATOM 919 C ALA A 60 11.781 -0.417 -20.494 1.00 24.40 C ATOM 920 O ALA A 60 11.179 0.557 -20.945 1.00 0.13 O ATOM 921 CB ALA A 60 12.436 -0.862 -18.121 1.00 70.43 C ATOM 0 H ALA A 60 11.544 -3.087 -18.687 1.00 4.44 H new ATOM 0 HA ALA A 60 10.445 -0.563 -18.840 1.00 73.42 H new ATOM 0 HB1 ALA A 60 12.641 0.202 -18.002 1.00 70.43 H new ATOM 0 HB2 ALA A 60 12.095 -1.274 -17.171 1.00 70.43 H new ATOM 0 HB3 ALA A 60 13.346 -1.374 -18.433 1.00 70.43 H new ATOM 927 N ARG A 61 12.822 -0.972 -21.107 1.00 3.22 N ATOM 928 CA ARG A 61 13.328 -0.454 -22.372 1.00 64.23 C ATOM 929 C ARG A 61 12.199 -0.295 -23.385 1.00 54.14 C ATOM 930 O ARG A 61 12.093 0.732 -24.057 1.00 71.04 O ATOM 931 CB ARG A 61 14.405 -1.385 -22.934 1.00 55.15 C ATOM 932 CG ARG A 61 15.189 -0.782 -24.088 1.00 50.13 C ATOM 933 CD ARG A 61 15.295 -1.750 -25.256 1.00 61.20 C ATOM 934 NE ARG A 61 16.638 -1.771 -25.830 1.00 0.14 N ATOM 935 CZ ARG A 61 17.159 -0.761 -26.517 1.00 41.23 C ATOM 936 NH1 ARG A 61 16.454 0.344 -26.715 1.00 52.34 N ATOM 937 NH2 ARG A 61 18.388 -0.855 -27.008 1.00 3.11 N ATOM 0 H ARG A 61 13.331 -1.780 -20.748 1.00 3.22 H new ATOM 0 HA ARG A 61 13.766 0.527 -22.185 1.00 64.23 H new ATOM 0 HB2 ARG A 61 15.097 -1.650 -22.135 1.00 55.15 H new ATOM 0 HB3 ARG A 61 13.935 -2.310 -23.269 1.00 55.15 H new ATOM 0 HG2 ARG A 61 14.704 0.136 -24.418 1.00 50.13 H new ATOM 0 HG3 ARG A 61 16.188 -0.510 -23.748 1.00 50.13 H new ATOM 0 HD2 ARG A 61 15.028 -2.752 -24.921 1.00 61.20 H new ATOM 0 HD3 ARG A 61 14.576 -1.469 -26.026 1.00 61.20 H new ATOM 0 HE ARG A 61 17.207 -2.607 -25.696 1.00 0.14 H new ATOM 0 HH11 ARG A 61 15.509 0.420 -26.339 1.00 52.34 H new ATOM 0 HH12 ARG A 61 16.857 1.118 -27.243 1.00 52.34 H new ATOM 0 HH21 ARG A 61 18.934 -1.704 -26.858 1.00 3.11 H new ATOM 0 HH22 ARG A 61 18.787 -0.079 -27.536 1.00 3.11 H new ATOM 951 N LEU A 62 11.357 -1.317 -23.490 1.00 73.23 N ATOM 952 CA LEU A 62 10.234 -1.292 -24.422 1.00 3.52 C ATOM 953 C LEU A 62 9.274 -0.155 -24.086 1.00 50.02 C ATOM 954 O LEU A 62 8.849 0.592 -24.968 1.00 34.01 O ATOM 955 CB LEU A 62 9.491 -2.628 -24.392 1.00 71.14 C ATOM 956 CG LEU A 62 9.438 -3.396 -25.714 1.00 1.04 C ATOM 957 CD1 LEU A 62 8.546 -4.621 -25.584 1.00 13.41 C ATOM 958 CD2 LEU A 62 8.948 -2.493 -26.836 1.00 52.10 C ATOM 0 H LEU A 62 11.430 -2.174 -22.941 1.00 73.23 H new ATOM 0 HA LEU A 62 10.629 -1.126 -25.424 1.00 3.52 H new ATOM 0 HB2 LEU A 62 9.961 -3.266 -23.643 1.00 71.14 H new ATOM 0 HB3 LEU A 62 8.469 -2.445 -24.060 1.00 71.14 H new ATOM 0 HG LEU A 62 10.446 -3.731 -25.959 1.00 1.04 H new ATOM 0 HD11 LEU A 62 8.520 -5.155 -26.534 1.00 13.41 H new ATOM 0 HD12 LEU A 62 8.941 -5.278 -24.809 1.00 13.41 H new ATOM 0 HD13 LEU A 62 7.537 -4.309 -25.316 1.00 13.41 H new ATOM 0 HD21 LEU A 62 8.917 -3.056 -27.769 1.00 52.10 H new ATOM 0 HD22 LEU A 62 7.949 -2.128 -26.599 1.00 52.10 H new ATOM 0 HD23 LEU A 62 9.627 -1.647 -26.945 1.00 52.10 H new ATOM 970 N ILE A 63 8.938 -0.029 -22.807 1.00 25.33 N ATOM 971 CA ILE A 63 8.031 1.018 -22.355 1.00 4.33 C ATOM 972 C ILE A 63 8.614 2.402 -22.621 1.00 13.31 C ATOM 973 O ILE A 63 7.980 3.240 -23.264 1.00 3.13 O ATOM 974 CB ILE A 63 7.721 0.885 -20.852 1.00 70.42 C ATOM 975 CG1 ILE A 63 6.919 -0.391 -20.586 1.00 54.15 C ATOM 976 CG2 ILE A 63 6.962 2.107 -20.357 1.00 63.12 C ATOM 977 CD1 ILE A 63 6.676 -0.657 -19.117 1.00 55.33 C ATOM 0 H ILE A 63 9.281 -0.639 -22.065 1.00 25.33 H new ATOM 0 HA ILE A 63 7.106 0.900 -22.920 1.00 4.33 H new ATOM 0 HB ILE A 63 8.662 0.821 -20.306 1.00 70.42 H new ATOM 0 HG12 ILE A 63 5.959 -0.320 -21.098 1.00 54.15 H new ATOM 0 HG13 ILE A 63 7.449 -1.240 -21.018 1.00 54.15 H new ATOM 0 HG21 ILE A 63 6.750 1.998 -19.293 1.00 63.12 H new ATOM 0 HG22 ILE A 63 7.566 3.000 -20.517 1.00 63.12 H new ATOM 0 HG23 ILE A 63 6.025 2.200 -20.906 1.00 63.12 H new ATOM 0 HD11 ILE A 63 6.102 -1.577 -19.004 1.00 55.33 H new ATOM 0 HD12 ILE A 63 7.632 -0.760 -18.603 1.00 55.33 H new ATOM 0 HD13 ILE A 63 6.119 0.174 -18.684 1.00 55.33 H new ATOM 989 N ILE A 64 9.824 2.634 -22.124 1.00 10.40 N ATOM 990 CA ILE A 64 10.493 3.916 -22.311 1.00 21.23 C ATOM 991 C ILE A 64 10.487 4.330 -23.778 1.00 42.32 C ATOM 992 O ILE A 64 10.331 5.508 -24.101 1.00 40.32 O ATOM 993 CB ILE A 64 11.948 3.870 -21.808 1.00 20.22 C ATOM 994 CG1 ILE A 64 11.980 3.744 -20.283 1.00 51.42 C ATOM 995 CG2 ILE A 64 12.704 5.111 -22.259 1.00 33.15 C ATOM 996 CD1 ILE A 64 12.850 2.610 -19.788 1.00 40.42 C ATOM 0 H ILE A 64 10.361 1.952 -21.589 1.00 10.40 H new ATOM 0 HA ILE A 64 9.938 4.650 -21.727 1.00 21.23 H new ATOM 0 HB ILE A 64 12.437 2.995 -22.236 1.00 20.22 H new ATOM 0 HG12 ILE A 64 12.340 4.680 -19.857 1.00 51.42 H new ATOM 0 HG13 ILE A 64 10.964 3.598 -19.917 1.00 51.42 H new ATOM 0 HG21 ILE A 64 13.731 5.064 -21.896 1.00 33.15 H new ATOM 0 HG22 ILE A 64 12.706 5.160 -23.348 1.00 33.15 H new ATOM 0 HG23 ILE A 64 12.217 6.000 -21.857 1.00 33.15 H new ATOM 0 HD11 ILE A 64 12.825 2.581 -18.699 1.00 40.42 H new ATOM 0 HD12 ILE A 64 12.477 1.666 -20.185 1.00 40.42 H new ATOM 0 HD13 ILE A 64 13.875 2.765 -20.123 1.00 40.42 H new ATOM 1008 N HIS A 65 10.657 3.354 -24.664 1.00 74.31 N ATOM 1009 CA HIS A 65 10.668 3.617 -26.099 1.00 24.53 C ATOM 1010 C HIS A 65 9.283 4.030 -26.587 1.00 21.32 C ATOM 1011 O HIS A 65 9.149 4.925 -27.421 1.00 1.32 O ATOM 1012 CB HIS A 65 11.142 2.379 -26.861 1.00 45.14 C ATOM 1013 CG HIS A 65 12.112 2.688 -27.960 1.00 63.22 C ATOM 1014 ND1 HIS A 65 13.073 1.796 -28.388 1.00 43.33 N ATOM 1015 CD2 HIS A 65 12.265 3.797 -28.721 1.00 34.02 C ATOM 1016 CE1 HIS A 65 13.776 2.345 -29.363 1.00 71.55 C ATOM 1017 NE2 HIS A 65 13.305 3.559 -29.585 1.00 30.52 N ATOM 0 H HIS A 65 10.789 2.374 -24.414 1.00 74.31 H new ATOM 0 HA HIS A 65 11.359 4.438 -26.288 1.00 24.53 H new ATOM 0 HB2 HIS A 65 11.608 1.687 -26.160 1.00 45.14 H new ATOM 0 HB3 HIS A 65 10.276 1.869 -27.284 1.00 45.14 H new ATOM 0 HD2 HIS A 65 11.678 4.701 -28.660 1.00 34.02 H new ATOM 0 HE1 HIS A 65 14.597 1.880 -29.889 1.00 71.55 H new ATOM 0 HE2 HIS A 65 13.657 4.213 -30.284 1.00 30.52 H new ATOM 1025 N PHE A 66 8.255 3.371 -26.062 1.00 63.40 N ATOM 1026 CA PHE A 66 6.880 3.668 -26.446 1.00 2.24 C ATOM 1027 C PHE A 66 6.485 5.075 -26.006 1.00 21.25 C ATOM 1028 O PHE A 66 5.924 5.846 -26.784 1.00 73.42 O ATOM 1029 CB PHE A 66 5.924 2.643 -25.833 1.00 22.40 C ATOM 1030 CG PHE A 66 5.876 1.344 -26.586 1.00 31.33 C ATOM 1031 CD1 PHE A 66 5.558 1.321 -27.934 1.00 64.51 C ATOM 1032 CD2 PHE A 66 6.148 0.146 -25.945 1.00 34.25 C ATOM 1033 CE1 PHE A 66 5.514 0.127 -28.630 1.00 35.01 C ATOM 1034 CE2 PHE A 66 6.105 -1.051 -26.635 1.00 53.41 C ATOM 1035 CZ PHE A 66 5.786 -1.060 -27.979 1.00 60.20 C ATOM 0 H PHE A 66 8.348 2.628 -25.370 1.00 63.40 H new ATOM 0 HA PHE A 66 6.812 3.613 -27.533 1.00 2.24 H new ATOM 0 HB2 PHE A 66 6.225 2.447 -24.804 1.00 22.40 H new ATOM 0 HB3 PHE A 66 4.922 3.070 -25.796 1.00 22.40 H new ATOM 0 HD1 PHE A 66 5.342 2.246 -28.447 1.00 64.51 H new ATOM 0 HD2 PHE A 66 6.397 0.148 -24.894 1.00 34.25 H new ATOM 0 HE1 PHE A 66 5.267 0.123 -29.681 1.00 35.01 H new ATOM 0 HE2 PHE A 66 6.320 -1.978 -26.124 1.00 53.41 H new ATOM 0 HZ PHE A 66 5.749 -1.994 -28.520 1.00 60.20 H new