USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 9 TYR OH : rot -112:sc= 1 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 17 GLN : amide:sc= 1.13 K(o=1.1,f=-0.073) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0507) USER MOD Single : A 20 ASN : amide:sc= 0.291 X(o=0.29,f=-0.0042) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 31:sc= -0.312 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0771 F(o=-0.7,f=-0.077) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 59 THR OG1 : rot -120:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00242 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 130:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -19:sc= 0.0405 USER MOD Single : A 85 THR OG1 : rot 93:sc= 0.0972 USER MOD Single : A 91 GLN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.109 11.880 2.833 1.00 0.00 N ATOM 77 CA GLU A 8 5.708 12.266 2.554 1.00 0.00 C ATOM 78 C GLU A 8 4.659 11.213 2.968 1.00 0.00 C ATOM 79 O GLU A 8 3.485 11.542 3.111 1.00 0.00 O ATOM 80 CB GLU A 8 5.523 12.701 1.078 1.00 0.00 C ATOM 81 CG GLU A 8 5.582 14.213 0.840 1.00 0.00 C ATOM 82 CD GLU A 8 6.945 14.879 1.076 1.00 0.00 C ATOM 83 OE1 GLU A 8 7.972 14.452 0.490 1.00 0.00 O ATOM 84 OE2 GLU A 8 6.973 15.909 1.781 1.00 0.00 O ATOM 0 HA GLU A 8 5.517 13.125 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.294 12.222 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.562 12.329 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.276 14.411 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.849 14.692 1.489 1.00 0.00 H new ATOM 91 N TYR A 9 5.053 9.971 3.241 1.00 0.00 N ATOM 92 CA TYR A 9 4.150 8.830 3.361 1.00 0.00 C ATOM 93 C TYR A 9 3.211 9.003 4.547 1.00 0.00 C ATOM 94 O TYR A 9 1.997 8.847 4.434 1.00 0.00 O ATOM 95 CB TYR A 9 4.989 7.552 3.510 1.00 0.00 C ATOM 96 CG TYR A 9 6.021 7.334 2.425 1.00 0.00 C ATOM 97 CD1 TYR A 9 5.668 7.470 1.069 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.334 6.981 2.775 1.00 0.00 C ATOM 99 CE1 TYR A 9 6.633 7.288 0.064 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.281 6.730 1.774 1.00 0.00 C ATOM 101 CZ TYR A 9 7.939 6.893 0.413 1.00 0.00 C ATOM 102 OH TYR A 9 8.836 6.590 -0.561 1.00 0.00 O ATOM 0 H TYR A 9 6.032 9.725 3.388 1.00 0.00 H new ATOM 0 HA TYR A 9 3.532 8.759 2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.497 7.580 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.317 6.694 3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.651 7.715 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.614 6.903 3.815 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.374 7.450 -0.972 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.277 6.411 2.044 1.00 0.00 H new ATOM 0 HH TYR A 9 9.039 5.632 -0.532 1.00 0.00 H new ATOM 112 N GLY A 10 3.780 9.371 5.691 1.00 0.00 N ATOM 113 CA GLY A 10 3.066 9.528 6.935 1.00 0.00 C ATOM 114 C GLY A 10 2.231 10.805 7.002 1.00 0.00 C ATOM 115 O GLY A 10 1.679 11.127 8.053 1.00 0.00 O ATOM 0 H GLY A 10 4.777 9.571 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.412 8.668 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.781 9.528 7.758 1.00 0.00 H new ATOM 119 N ARG A 11 2.132 11.567 5.908 1.00 0.00 N ATOM 120 CA ARG A 11 1.136 12.622 5.801 1.00 0.00 C ATOM 121 C ARG A 11 -0.197 12.057 5.314 1.00 0.00 C ATOM 122 O ARG A 11 -1.193 12.776 5.374 1.00 0.00 O ATOM 123 CB ARG A 11 1.652 13.724 4.868 1.00 0.00 C ATOM 124 CG ARG A 11 3.067 14.181 5.241 1.00 0.00 C ATOM 125 CD ARG A 11 3.312 15.684 5.120 1.00 0.00 C ATOM 126 NE ARG A 11 3.024 16.440 6.353 1.00 0.00 N ATOM 127 CZ ARG A 11 3.188 17.766 6.478 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.563 18.498 5.431 1.00 0.00 N ATOM 129 NH2 ARG A 11 2.995 18.367 7.650 1.00 0.00 N ATOM 0 H ARG A 11 2.731 11.468 5.089 1.00 0.00 H new ATOM 0 HA ARG A 11 0.965 13.056 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.648 13.360 3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.974 14.577 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.273 13.876 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.781 13.659 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.352 15.851 4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.696 16.078 4.312 1.00 0.00 H new ATOM 0 HE ARG A 11 2.679 15.923 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.727 18.051 4.529 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.686 19.506 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.720 17.819 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.123 19.376 7.733 1.00 0.00 H new ATOM 143 N TYR A 12 -0.203 10.822 4.798 1.00 0.00 N ATOM 144 CA TYR A 12 -1.317 10.193 4.117 1.00 0.00 C ATOM 145 C TYR A 12 -1.728 8.873 4.747 1.00 0.00 C ATOM 146 O TYR A 12 -2.901 8.524 4.667 1.00 0.00 O ATOM 147 CB TYR A 12 -0.891 9.862 2.682 1.00 0.00 C ATOM 148 CG TYR A 12 -0.262 10.980 1.885 1.00 0.00 C ATOM 149 CD1 TYR A 12 -0.530 12.340 2.124 1.00 0.00 C ATOM 150 CD2 TYR A 12 0.663 10.620 0.905 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.166 13.329 1.408 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.311 11.590 0.136 1.00 0.00 C ATOM 153 CZ TYR A 12 1.103 12.959 0.413 1.00 0.00 C ATOM 154 OH TYR A 12 1.778 13.899 -0.308 1.00 0.00 O ATOM 0 H TYR A 12 0.614 10.213 4.852 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.151 10.892 4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.185 9.032 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.768 9.510 2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.270 12.624 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.882 9.576 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.014 14.373 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.969 11.294 -0.668 1.00 0.00 H new ATOM 0 HH TYR A 12 2.378 13.455 -0.943 1.00 0.00 H new ATOM 164 N PHE A 13 -0.771 8.089 5.253 1.00 0.00 N ATOM 165 CA PHE A 13 -0.981 6.739 5.747 1.00 0.00 C ATOM 166 C PHE A 13 -0.856 6.778 7.259 1.00 0.00 C ATOM 167 O PHE A 13 0.197 7.159 7.774 1.00 0.00 O ATOM 168 CB PHE A 13 0.073 5.790 5.146 1.00 0.00 C ATOM 169 CG PHE A 13 0.194 5.844 3.636 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.936 5.651 2.829 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.435 6.119 3.035 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.814 5.797 1.442 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.556 6.236 1.637 1.00 0.00 C ATOM 174 CZ PHE A 13 0.407 6.102 0.846 1.00 0.00 C ATOM 0 H PHE A 13 0.200 8.393 5.329 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.966 6.373 5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.044 6.026 5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.169 4.769 5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.887 5.393 3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.310 6.243 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.687 5.670 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.517 6.426 1.182 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.468 6.235 -0.224 1.00 0.00 H new ATOM 184 N GLU A 14 -1.905 6.353 7.959 1.00 0.00 N ATOM 185 CA GLU A 14 -1.897 6.273 9.411 1.00 0.00 C ATOM 186 C GLU A 14 -1.829 4.800 9.827 1.00 0.00 C ATOM 187 O GLU A 14 -2.175 3.906 9.054 1.00 0.00 O ATOM 188 CB GLU A 14 -3.095 7.059 9.977 1.00 0.00 C ATOM 189 CG GLU A 14 -2.953 7.370 11.471 1.00 0.00 C ATOM 190 CD GLU A 14 -3.439 8.777 11.840 1.00 0.00 C ATOM 191 OE1 GLU A 14 -2.635 9.728 11.724 1.00 0.00 O ATOM 192 OE2 GLU A 14 -4.562 8.906 12.377 1.00 0.00 O ATOM 0 H GLU A 14 -2.782 6.055 7.533 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.014 6.746 9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.203 7.993 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.008 6.486 9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.517 6.635 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.907 7.265 11.760 1.00 0.00 H new ATOM 199 N GLN A 15 -1.397 4.560 11.064 1.00 0.00 N ATOM 200 CA GLN A 15 -1.032 3.275 11.675 1.00 0.00 C ATOM 201 C GLN A 15 -2.170 2.254 11.715 1.00 0.00 C ATOM 202 O GLN A 15 -1.940 1.082 11.987 1.00 0.00 O ATOM 203 CB GLN A 15 -0.589 3.629 13.107 1.00 0.00 C ATOM 204 CG GLN A 15 0.079 2.497 13.886 1.00 0.00 C ATOM 205 CD GLN A 15 0.677 2.982 15.213 1.00 0.00 C ATOM 206 OE1 GLN A 15 1.524 3.870 15.235 1.00 0.00 O ATOM 207 NE2 GLN A 15 0.307 2.398 16.337 1.00 0.00 N ATOM 0 H GLN A 15 -1.282 5.327 11.727 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.256 2.794 11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.102 4.470 13.058 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.462 3.966 13.666 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.652 1.713 14.084 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.865 2.053 13.276 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.397 1.660 16.321 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.725 2.685 17.222 1.00 0.00 H new ATOM 216 N LEU A 16 -3.389 2.711 11.479 1.00 0.00 N ATOM 217 CA LEU A 16 -4.627 1.949 11.599 1.00 0.00 C ATOM 218 C LEU A 16 -5.511 2.189 10.365 1.00 0.00 C ATOM 219 O LEU A 16 -6.721 1.964 10.414 1.00 0.00 O ATOM 220 CB LEU A 16 -5.388 2.346 12.879 1.00 0.00 C ATOM 221 CG LEU A 16 -4.553 2.573 14.152 1.00 0.00 C ATOM 222 CD1 LEU A 16 -5.428 3.141 15.275 1.00 0.00 C ATOM 223 CD2 LEU A 16 -3.762 1.359 14.657 1.00 0.00 C ATOM 0 H LEU A 16 -3.553 3.673 11.183 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.378 0.890 11.661 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.943 3.261 12.672 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.122 1.568 13.091 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.793 3.295 13.854 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.821 3.295 16.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.855 4.093 14.958 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.232 2.440 15.500 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.211 1.632 15.557 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.451 0.546 14.886 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.061 1.035 13.887 1.00 0.00 H new ATOM 235 N GLN A 17 -4.944 2.778 9.308 1.00 0.00 N ATOM 236 CA GLN A 17 -5.589 3.135 8.054 1.00 0.00 C ATOM 237 C GLN A 17 -5.330 2.059 7.017 1.00 0.00 C ATOM 238 O GLN A 17 -4.395 1.282 7.152 1.00 0.00 O ATOM 239 CB GLN A 17 -4.978 4.458 7.578 1.00 0.00 C ATOM 240 CG GLN A 17 -6.084 5.359 7.028 1.00 0.00 C ATOM 241 CD GLN A 17 -5.569 6.724 6.620 1.00 0.00 C ATOM 242 OE1 GLN A 17 -5.912 7.742 7.208 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.735 6.756 5.608 1.00 0.00 N ATOM 0 H GLN A 17 -3.956 3.032 9.312 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.665 3.233 8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.467 4.953 8.404 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.230 4.270 6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.547 4.877 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.861 5.478 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.469 5.890 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.353 7.647 5.290 1.00 0.00 H new ATOM 252 N LYS A 18 -6.091 2.037 5.925 1.00 0.00 N ATOM 253 CA LYS A 18 -6.010 0.952 4.960 1.00 0.00 C ATOM 254 C LYS A 18 -5.581 1.456 3.582 1.00 0.00 C ATOM 255 O LYS A 18 -5.846 2.607 3.244 1.00 0.00 O ATOM 256 CB LYS A 18 -7.279 0.123 5.167 1.00 0.00 C ATOM 257 CG LYS A 18 -8.575 0.547 4.509 1.00 0.00 C ATOM 258 CD LYS A 18 -9.626 1.059 5.504 1.00 0.00 C ATOM 259 CE LYS A 18 -10.996 1.341 4.862 1.00 0.00 C ATOM 260 NZ LYS A 18 -10.880 2.367 3.810 1.00 0.00 N ATOM 0 H LYS A 18 -6.770 2.761 5.689 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.199 0.236 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.062 -0.891 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.462 0.072 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.364 1.329 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.988 -0.299 3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.751 0.323 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.258 1.973 5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.400 0.422 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.699 1.674 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.826 2.603 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.437 3.221 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.294 2.002 3.032 1.00 0.00 H new ATOM 274 N VAL A 19 -4.778 0.684 2.852 1.00 0.00 N ATOM 275 CA VAL A 19 -4.106 1.029 1.591 1.00 0.00 C ATOM 276 C VAL A 19 -4.453 -0.103 0.648 1.00 0.00 C ATOM 277 O VAL A 19 -4.524 -1.249 1.099 1.00 0.00 O ATOM 278 CB VAL A 19 -2.579 1.146 1.806 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.353 2.283 2.812 1.00 0.00 C ATOM 280 CG2 VAL A 19 -1.714 -0.022 2.314 1.00 0.00 C ATOM 0 H VAL A 19 -4.561 -0.269 3.144 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.426 1.992 1.194 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.240 1.260 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.285 2.401 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.757 3.211 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.856 2.045 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.675 0.299 2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.065 -0.334 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.789 -0.859 1.620 1.00 0.00 H new ATOM 290 N ASN A 20 -4.734 0.202 -0.617 1.00 0.00 N ATOM 291 CA ASN A 20 -4.923 -0.793 -1.663 1.00 0.00 C ATOM 292 C ASN A 20 -3.644 -1.589 -1.870 1.00 0.00 C ATOM 293 O ASN A 20 -2.572 -1.067 -1.575 1.00 0.00 O ATOM 294 CB ASN A 20 -5.248 -0.054 -2.961 1.00 0.00 C ATOM 295 CG ASN A 20 -5.793 -0.965 -4.047 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.414 -0.813 -5.198 1.00 0.00 O ATOM 297 ND2 ASN A 20 -6.683 -1.890 -3.726 1.00 0.00 N ATOM 0 H ASN A 20 -4.838 1.162 -0.946 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.726 -1.474 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.977 0.729 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.347 0.438 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.070 -2.498 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.982 -1.995 -2.757 1.00 0.00 H new ATOM 304 N LEU A 21 -3.713 -2.808 -2.394 1.00 0.00 N ATOM 305 CA LEU A 21 -2.534 -3.585 -2.735 1.00 0.00 C ATOM 306 C LEU A 21 -2.751 -4.117 -4.133 1.00 0.00 C ATOM 307 O LEU A 21 -3.381 -5.152 -4.285 1.00 0.00 O ATOM 308 CB LEU A 21 -2.271 -4.759 -1.775 1.00 0.00 C ATOM 309 CG LEU A 21 -2.631 -4.590 -0.307 1.00 0.00 C ATOM 310 CD1 LEU A 21 -2.168 -5.841 0.426 1.00 0.00 C ATOM 311 CD2 LEU A 21 -1.937 -3.396 0.380 1.00 0.00 C ATOM 0 H LEU A 21 -4.593 -3.284 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.660 -2.939 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.816 -5.624 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.210 -5.001 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.706 -4.417 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.411 -5.753 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.671 -6.714 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.090 -5.953 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.247 -3.346 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.856 -3.525 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.217 -2.472 -0.126 1.00 0.00 H new ATOM 323 N THR A 22 -2.275 -3.423 -5.157 1.00 0.00 N ATOM 324 CA THR A 22 -2.258 -3.977 -6.503 1.00 0.00 C ATOM 325 C THR A 22 -1.043 -4.905 -6.607 1.00 0.00 C ATOM 326 O THR A 22 0.053 -4.431 -6.918 1.00 0.00 O ATOM 327 CB THR A 22 -2.197 -2.825 -7.510 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.211 -1.889 -7.231 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.338 -3.280 -8.963 1.00 0.00 C ATOM 0 H THR A 22 -1.897 -2.479 -5.082 1.00 0.00 H new ATOM 0 HA THR A 22 -3.157 -4.554 -6.721 1.00 0.00 H new ATOM 0 HB THR A 22 -1.209 -2.379 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.165 -1.154 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.286 -2.414 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.531 -3.971 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.297 -3.780 -9.096 1.00 0.00 H new ATOM 337 N VAL A 23 -1.175 -6.193 -6.293 1.00 0.00 N ATOM 338 CA VAL A 23 -0.041 -7.119 -6.320 1.00 0.00 C ATOM 339 C VAL A 23 0.082 -7.616 -7.755 1.00 0.00 C ATOM 340 O VAL A 23 -0.714 -8.455 -8.169 1.00 0.00 O ATOM 341 CB VAL A 23 -0.182 -8.268 -5.289 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.098 -9.112 -5.261 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.397 -7.800 -3.838 1.00 0.00 C ATOM 0 H VAL A 23 -2.058 -6.621 -6.016 1.00 0.00 H new ATOM 0 HA VAL A 23 0.875 -6.611 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.061 -8.821 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.988 -9.916 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.275 -9.538 -6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.943 -8.483 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.485 -8.668 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.451 -7.193 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.310 -7.207 -3.778 1.00 0.00 H new ATOM 353 N ARG A 24 1.036 -7.087 -8.531 1.00 0.00 N ATOM 354 CA ARG A 24 1.249 -7.514 -9.911 1.00 0.00 C ATOM 355 C ARG A 24 1.461 -9.016 -9.955 1.00 0.00 C ATOM 356 O ARG A 24 2.428 -9.467 -9.338 1.00 0.00 O ATOM 357 CB ARG A 24 2.443 -6.755 -10.510 1.00 0.00 C ATOM 358 CG ARG A 24 3.024 -7.415 -11.757 1.00 0.00 C ATOM 359 CD ARG A 24 4.155 -6.547 -12.290 1.00 0.00 C ATOM 360 NE ARG A 24 4.758 -7.099 -13.502 1.00 0.00 N ATOM 361 CZ ARG A 24 5.794 -6.542 -14.138 1.00 0.00 C ATOM 362 NH1 ARG A 24 6.444 -5.500 -13.629 1.00 0.00 N ATOM 363 NH2 ARG A 24 6.181 -7.052 -15.295 1.00 0.00 N ATOM 0 H ARG A 24 1.676 -6.356 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 24 0.369 -7.282 -10.511 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.130 -5.741 -10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.225 -6.672 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.394 -8.412 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.251 -7.535 -12.516 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.774 -5.547 -12.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.921 -6.441 -11.522 1.00 0.00 H new ATOM 0 HE ARG A 24 4.366 -7.959 -13.885 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.155 -5.107 -12.733 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.231 -5.094 -14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.691 -7.856 -15.687 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.969 -6.641 -15.795 1.00 0.00 H new ATOM 377 N LEU A 25 0.622 -9.770 -10.686 1.00 0.00 N ATOM 378 CA LEU A 25 0.798 -11.181 -10.917 1.00 0.00 C ATOM 379 C LEU A 25 1.090 -11.499 -12.380 1.00 0.00 C ATOM 380 O LEU A 25 1.255 -12.671 -12.715 1.00 0.00 O ATOM 381 CB LEU A 25 -0.488 -11.873 -10.456 1.00 0.00 C ATOM 382 CG LEU A 25 -0.668 -12.060 -8.946 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.505 -11.690 -8.018 1.00 0.00 C ATOM 384 CD2 LEU A 25 -1.928 -11.583 -8.258 1.00 0.00 C ATOM 0 H LEU A 25 -0.211 -9.389 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 25 1.663 -11.539 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.336 -11.299 -10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.534 -12.855 -10.928 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.741 -13.142 -9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.223 -11.878 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.375 -12.295 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.748 -10.635 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.867 -11.805 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.035 -10.507 -8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.791 -12.093 -8.686 1.00 0.00 H new ATOM 436 N SER A 30 -3.301 -9.386 -11.607 1.00 0.00 N ATOM 437 CA SER A 30 -2.826 -8.932 -10.327 1.00 0.00 C ATOM 438 C SER A 30 -3.997 -8.876 -9.342 1.00 0.00 C ATOM 439 O SER A 30 -5.146 -8.619 -9.706 1.00 0.00 O ATOM 440 CB SER A 30 -2.291 -7.492 -10.577 1.00 0.00 C ATOM 441 OG SER A 30 -1.522 -7.377 -11.779 1.00 0.00 O ATOM 0 HA SER A 30 -2.062 -9.590 -9.913 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.133 -6.802 -10.625 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.677 -7.187 -9.730 1.00 0.00 H new ATOM 0 HG SER A 30 -1.850 -8.022 -12.440 1.00 0.00 H new ATOM 447 N PHE A 31 -3.670 -9.077 -8.078 1.00 0.00 N ATOM 448 CA PHE A 31 -4.622 -9.229 -7.001 1.00 0.00 C ATOM 449 C PHE A 31 -4.740 -7.867 -6.414 1.00 0.00 C ATOM 450 O PHE A 31 -3.777 -7.402 -5.812 1.00 0.00 O ATOM 451 CB PHE A 31 -4.172 -10.254 -5.973 1.00 0.00 C ATOM 452 CG PHE A 31 -5.183 -10.506 -4.871 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.308 -11.319 -5.109 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.994 -9.932 -3.601 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.220 -11.584 -4.071 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.903 -10.207 -2.561 1.00 0.00 C ATOM 457 CZ PHE A 31 -7.016 -11.036 -2.793 1.00 0.00 C ATOM 0 H PHE A 31 -2.701 -9.140 -7.766 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.580 -9.608 -7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.961 -11.195 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.237 -9.918 -5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.471 -11.740 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.151 -9.280 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.080 -12.211 -4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.745 -9.780 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.710 -11.250 -1.993 1.00 0.00 H new ATOM 467 N ASP A 32 -5.830 -7.179 -6.717 1.00 0.00 N ATOM 468 CA ASP A 32 -6.078 -5.914 -6.053 1.00 0.00 C ATOM 469 C ASP A 32 -6.835 -6.337 -4.814 1.00 0.00 C ATOM 470 O ASP A 32 -7.936 -6.893 -4.881 1.00 0.00 O ATOM 471 CB ASP A 32 -6.772 -4.856 -6.912 1.00 0.00 C ATOM 472 CG ASP A 32 -8.152 -4.371 -6.442 1.00 0.00 C ATOM 473 OD1 ASP A 32 -9.198 -4.988 -6.748 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.177 -3.276 -5.827 1.00 0.00 O ATOM 0 H ASP A 32 -6.535 -7.465 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.160 -5.375 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.114 -3.990 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.879 -5.255 -7.921 1.00 0.00 H new ATOM 479 N GLY A 33 -6.136 -6.208 -3.697 1.00 0.00 N ATOM 480 CA GLY A 33 -6.647 -6.522 -2.383 1.00 0.00 C ATOM 481 C GLY A 33 -6.718 -5.259 -1.526 1.00 0.00 C ATOM 482 O GLY A 33 -6.117 -4.218 -1.825 1.00 0.00 O ATOM 0 H GLY A 33 -5.173 -5.873 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.638 -6.968 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.005 -7.260 -1.902 1.00 0.00 H new ATOM 486 N THR A 34 -7.462 -5.369 -0.431 1.00 0.00 N ATOM 487 CA THR A 34 -7.671 -4.341 0.566 1.00 0.00 C ATOM 488 C THR A 34 -6.864 -4.862 1.765 1.00 0.00 C ATOM 489 O THR A 34 -6.824 -6.076 2.004 1.00 0.00 O ATOM 490 CB THR A 34 -9.206 -4.132 0.774 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.068 -4.867 -0.100 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.566 -2.672 0.459 1.00 0.00 C ATOM 0 H THR A 34 -7.961 -6.230 -0.208 1.00 0.00 H new ATOM 0 HA THR A 34 -7.328 -3.336 0.320 1.00 0.00 H new ATOM 0 HB THR A 34 -9.363 -4.460 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.002 -4.665 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.636 -2.522 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.014 -2.009 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.304 -2.448 -0.575 1.00 0.00 H new ATOM 500 N ALA A 35 -6.142 -4.000 2.477 1.00 0.00 N ATOM 501 CA ALA A 35 -5.531 -4.417 3.722 1.00 0.00 C ATOM 502 C ALA A 35 -5.455 -3.181 4.618 1.00 0.00 C ATOM 503 O ALA A 35 -5.396 -2.065 4.079 1.00 0.00 O ATOM 504 CB ALA A 35 -4.158 -5.044 3.448 1.00 0.00 C ATOM 0 H ALA A 35 -5.972 -3.029 2.215 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.115 -5.186 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.705 -5.355 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.277 -5.912 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.514 -4.312 2.960 1.00 0.00 H new ATOM 510 N ALA A 36 -5.476 -3.353 5.940 1.00 0.00 N ATOM 511 CA ALA A 36 -5.309 -2.288 6.905 1.00 0.00 C ATOM 512 C ALA A 36 -3.865 -2.347 7.394 1.00 0.00 C ATOM 513 O ALA A 36 -3.292 -3.435 7.470 1.00 0.00 O ATOM 514 CB ALA A 36 -6.266 -2.534 8.070 1.00 0.00 C ATOM 0 H ALA A 36 -5.614 -4.267 6.372 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.522 -1.311 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.153 -1.739 8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.292 -2.544 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.037 -3.494 8.533 1.00 0.00 H new ATOM 520 N ILE A 37 -3.309 -1.190 7.744 1.00 0.00 N ATOM 521 CA ILE A 37 -2.055 -1.030 8.455 1.00 0.00 C ATOM 522 C ILE A 37 -2.264 -1.440 9.929 1.00 0.00 C ATOM 523 O ILE A 37 -3.391 -1.475 10.432 1.00 0.00 O ATOM 524 CB ILE A 37 -1.539 0.435 8.270 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.300 0.739 6.769 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.209 0.710 9.005 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.127 2.219 6.405 1.00 0.00 C ATOM 0 H ILE A 37 -3.748 -0.296 7.525 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.278 -1.680 8.054 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.315 1.072 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.410 0.199 6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.139 0.340 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.093 1.744 8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.342 0.541 10.074 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.562 0.040 8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.966 2.313 5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.024 2.770 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.268 2.627 6.938 1.00 0.00 H new ATOM 539 N THR A 38 -1.160 -1.734 10.609 1.00 0.00 N ATOM 540 CA THR A 38 -1.046 -2.062 12.030 1.00 0.00 C ATOM 541 C THR A 38 0.098 -1.288 12.689 1.00 0.00 C ATOM 542 O THR A 38 0.009 -0.926 13.866 1.00 0.00 O ATOM 543 CB THR A 38 -0.861 -3.583 12.207 1.00 0.00 C ATOM 544 OG1 THR A 38 0.187 -4.111 11.413 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.136 -4.329 11.837 1.00 0.00 C ATOM 0 H THR A 38 -0.251 -1.751 10.147 1.00 0.00 H new ATOM 0 HA THR A 38 -1.968 -1.763 12.528 1.00 0.00 H new ATOM 0 HB THR A 38 -0.612 -3.725 13.259 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.259 -5.076 11.567 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.982 -5.400 11.969 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.951 -3.997 12.480 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.388 -4.125 10.796 1.00 0.00 H new ATOM 553 N SER A 39 1.161 -1.009 11.938 1.00 0.00 N ATOM 554 CA SER A 39 2.347 -0.303 12.390 1.00 0.00 C ATOM 555 C SER A 39 2.935 0.409 11.160 1.00 0.00 C ATOM 556 O SER A 39 2.875 -0.159 10.064 1.00 0.00 O ATOM 557 CB SER A 39 3.325 -1.337 12.963 1.00 0.00 C ATOM 558 OG SER A 39 2.745 -2.135 13.984 1.00 0.00 O ATOM 0 H SER A 39 1.217 -1.282 10.957 1.00 0.00 H new ATOM 0 HA SER A 39 2.133 0.431 13.167 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.676 -1.983 12.158 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.199 -0.822 13.363 1.00 0.00 H new ATOM 0 HG SER A 39 3.408 -2.777 14.313 1.00 0.00 H new ATOM 564 N LEU A 40 3.484 1.624 11.298 1.00 0.00 N ATOM 565 CA LEU A 40 4.127 2.386 10.218 1.00 0.00 C ATOM 566 C LEU A 40 5.369 3.117 10.738 1.00 0.00 C ATOM 567 O LEU A 40 5.254 4.108 11.462 1.00 0.00 O ATOM 568 CB LEU A 40 3.143 3.389 9.581 1.00 0.00 C ATOM 569 CG LEU A 40 3.802 4.382 8.580 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.606 3.983 7.121 1.00 0.00 C ATOM 571 CD2 LEU A 40 3.274 5.796 8.799 1.00 0.00 C ATOM 0 H LEU A 40 3.493 2.118 12.190 1.00 0.00 H new ATOM 0 HA LEU A 40 4.435 1.678 9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.361 2.834 9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.658 3.958 10.374 1.00 0.00 H new ATOM 0 HG LEU A 40 4.873 4.349 8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.089 4.716 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.048 3.001 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.541 3.946 6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.747 6.475 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.194 5.809 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.503 6.116 9.815 1.00 0.00 H new ATOM 583 N LYS A 41 6.555 2.731 10.255 1.00 0.00 N ATOM 584 CA LYS A 41 7.828 3.371 10.605 1.00 0.00 C ATOM 585 C LYS A 41 8.431 4.175 9.447 1.00 0.00 C ATOM 586 O LYS A 41 9.650 4.299 9.358 1.00 0.00 O ATOM 587 CB LYS A 41 8.796 2.389 11.301 1.00 0.00 C ATOM 588 CG LYS A 41 9.758 3.126 12.261 1.00 0.00 C ATOM 589 CD LYS A 41 11.236 3.066 11.856 1.00 0.00 C ATOM 590 CE LYS A 41 11.935 1.834 12.424 1.00 0.00 C ATOM 591 NZ LYS A 41 13.315 1.740 11.917 1.00 0.00 N ATOM 0 H LYS A 41 6.659 1.955 9.601 1.00 0.00 H new ATOM 0 HA LYS A 41 7.617 4.130 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.224 1.646 11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.373 1.851 10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.455 4.171 12.326 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.651 2.700 13.259 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.314 3.058 10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.744 3.965 12.205 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.945 1.885 13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.380 0.936 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.774 0.896 12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.300 1.670 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.847 2.588 12.199 1.00 0.00 H new ATOM 605 N GLY A 42 7.603 4.766 8.586 1.00 0.00 N ATOM 606 CA GLY A 42 8.028 5.726 7.570 1.00 0.00 C ATOM 607 C GLY A 42 7.780 5.141 6.195 1.00 0.00 C ATOM 608 O GLY A 42 6.631 4.881 5.852 1.00 0.00 O ATOM 0 H GLY A 42 6.599 4.587 8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.480 6.661 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.086 5.960 7.693 1.00 0.00 H new ATOM 612 N SER A 43 8.832 4.846 5.431 1.00 0.00 N ATOM 613 CA SER A 43 8.789 4.063 4.200 1.00 0.00 C ATOM 614 C SER A 43 8.442 2.604 4.471 1.00 0.00 C ATOM 615 O SER A 43 8.902 1.749 3.724 1.00 0.00 O ATOM 616 CB SER A 43 10.150 4.118 3.489 1.00 0.00 C ATOM 617 OG SER A 43 11.133 3.471 4.285 1.00 0.00 O ATOM 0 H SER A 43 9.774 5.159 5.664 1.00 0.00 H new ATOM 0 HA SER A 43 8.013 4.498 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.082 3.635 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.437 5.155 3.311 1.00 0.00 H new ATOM 0 HG SER A 43 11.999 3.506 3.828 1.00 0.00 H new ATOM 623 N LEU A 44 7.796 2.277 5.583 1.00 0.00 N ATOM 624 CA LEU A 44 7.522 0.913 5.959 1.00 0.00 C ATOM 625 C LEU A 44 6.226 0.929 6.728 1.00 0.00 C ATOM 626 O LEU A 44 6.112 1.675 7.702 1.00 0.00 O ATOM 627 CB LEU A 44 8.688 0.325 6.765 1.00 0.00 C ATOM 628 CG LEU A 44 8.644 -1.207 6.917 1.00 0.00 C ATOM 629 CD1 LEU A 44 7.695 -1.702 8.009 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.367 -1.956 5.613 1.00 0.00 C ATOM 0 H LEU A 44 7.448 2.965 6.250 1.00 0.00 H new ATOM 0 HA LEU A 44 7.421 0.267 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.625 0.604 6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.693 0.777 7.757 1.00 0.00 H new ATOM 0 HG LEU A 44 9.661 -1.445 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.724 -2.791 8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.004 -1.294 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.680 -1.374 7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.352 -3.029 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.402 -1.646 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.150 -1.728 4.889 1.00 0.00 H new ATOM 642 N ALA A 45 5.280 0.105 6.304 1.00 0.00 N ATOM 643 CA ALA A 45 4.090 -0.235 7.070 1.00 0.00 C ATOM 644 C ALA A 45 4.017 -1.753 7.178 1.00 0.00 C ATOM 645 O ALA A 45 4.666 -2.441 6.392 1.00 0.00 O ATOM 646 CB ALA A 45 2.826 0.339 6.419 1.00 0.00 C ATOM 0 H ALA A 45 5.319 -0.357 5.396 1.00 0.00 H new ATOM 0 HA ALA A 45 4.152 0.204 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.955 0.068 7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.905 1.425 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.718 -0.067 5.413 1.00 0.00 H new ATOM 652 N TRP A 46 3.210 -2.253 8.102 1.00 0.00 N ATOM 653 CA TRP A 46 2.832 -3.644 8.280 1.00 0.00 C ATOM 654 C TRP A 46 1.323 -3.720 8.264 1.00 0.00 C ATOM 655 O TRP A 46 0.659 -2.761 8.666 1.00 0.00 O ATOM 656 CB TRP A 46 3.383 -4.191 9.592 1.00 0.00 C ATOM 657 CG TRP A 46 4.769 -4.728 9.485 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.912 -4.052 9.718 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.169 -6.068 9.087 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.991 -4.904 9.545 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.588 -6.164 9.141 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.456 -7.212 8.693 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.264 -7.348 8.795 1.00 0.00 C ATOM 664 CZ3 TRP A 46 5.119 -8.412 8.393 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.520 -8.481 8.423 1.00 0.00 C ATOM 0 H TRP A 46 2.771 -1.651 8.798 1.00 0.00 H new ATOM 0 HA TRP A 46 3.249 -4.250 7.476 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.367 -3.399 10.340 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.724 -4.981 9.951 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.976 -3.010 9.996 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.963 -4.635 9.697 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.379 -7.168 8.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.343 -7.386 8.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.545 -9.290 8.137 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.024 -9.400 8.162 1.00 0.00 H new ATOM 676 N LEU A 47 0.819 -4.827 7.725 1.00 0.00 N ATOM 677 CA LEU A 47 -0.514 -4.925 7.165 1.00 0.00 C ATOM 678 C LEU A 47 -1.155 -6.243 7.552 1.00 0.00 C ATOM 679 O LEU A 47 -0.433 -7.192 7.879 1.00 0.00 O ATOM 680 CB LEU A 47 -0.433 -4.871 5.633 1.00 0.00 C ATOM 681 CG LEU A 47 0.335 -3.672 5.051 1.00 0.00 C ATOM 682 CD1 LEU A 47 0.293 -3.784 3.533 1.00 0.00 C ATOM 683 CD2 LEU A 47 -0.199 -2.315 5.516 1.00 0.00 C ATOM 0 H LEU A 47 1.344 -5.699 7.667 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.108 -4.096 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.038 -5.788 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.447 -4.859 5.233 1.00 0.00 H new ATOM 0 HG LEU A 47 1.360 -3.711 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.831 -2.945 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.761 -4.719 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.743 -3.769 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.392 -1.518 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.241 -2.211 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.129 -2.249 6.602 1.00 0.00 H new ATOM 695 N GLU A 48 -2.486 -6.320 7.446 1.00 0.00 N ATOM 696 CA GLU A 48 -3.233 -7.483 7.906 1.00 0.00 C ATOM 697 C GLU A 48 -4.495 -7.869 7.108 1.00 0.00 C ATOM 698 O GLU A 48 -5.445 -8.407 7.679 1.00 0.00 O ATOM 699 CB GLU A 48 -3.440 -7.407 9.417 1.00 0.00 C ATOM 700 CG GLU A 48 -4.362 -6.303 9.893 1.00 0.00 C ATOM 701 CD GLU A 48 -4.540 -6.399 11.417 1.00 0.00 C ATOM 702 OE1 GLU A 48 -3.931 -7.284 12.069 1.00 0.00 O ATOM 703 OE2 GLU A 48 -5.240 -5.525 11.978 1.00 0.00 O ATOM 0 H GLU A 48 -3.065 -5.584 7.043 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.600 -8.341 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.837 -8.362 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.468 -7.276 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.949 -5.330 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.330 -6.385 9.398 1.00 0.00 H new ATOM 710 N LEU A 49 -4.502 -7.720 5.775 1.00 0.00 N ATOM 711 CA LEU A 49 -5.698 -7.977 4.934 1.00 0.00 C ATOM 712 C LEU A 49 -6.947 -7.199 5.376 1.00 0.00 C ATOM 713 O LEU A 49 -6.849 -6.295 6.208 1.00 0.00 O ATOM 714 CB LEU A 49 -5.977 -9.496 4.773 1.00 0.00 C ATOM 715 CG LEU A 49 -5.338 -10.160 3.551 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.876 -11.578 3.419 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.593 -9.416 2.249 1.00 0.00 C ATOM 0 H LEU A 49 -3.685 -7.419 5.243 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.452 -7.584 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.625 -10.009 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.056 -9.646 4.723 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.261 -10.150 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.426 -12.059 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.630 -12.146 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.959 -11.546 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.110 -9.945 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.666 -9.362 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.186 -8.407 2.320 1.00 0.00 H new ATOM 729 N PHE A 50 -8.096 -7.452 4.735 1.00 0.00 N ATOM 730 CA PHE A 50 -9.361 -6.838 5.119 1.00 0.00 C ATOM 731 C PHE A 50 -10.402 -7.879 5.528 1.00 0.00 C ATOM 732 O PHE A 50 -11.031 -7.758 6.581 1.00 0.00 O ATOM 733 CB PHE A 50 -9.826 -5.910 3.987 1.00 0.00 C ATOM 734 CG PHE A 50 -10.162 -4.547 4.520 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.127 -3.697 4.935 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.504 -4.194 4.731 1.00 0.00 C ATOM 737 CE1 PHE A 50 -9.452 -2.518 5.624 1.00 0.00 C ATOM 738 CE2 PHE A 50 -11.817 -3.067 5.501 1.00 0.00 C ATOM 739 CZ PHE A 50 -10.787 -2.234 5.952 1.00 0.00 C ATOM 0 H PHE A 50 -8.168 -8.086 3.940 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.219 -6.230 6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.043 -5.828 3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.699 -6.338 3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.097 -3.945 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.294 -4.791 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.671 -1.826 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.845 -2.843 5.745 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.020 -1.369 6.555 1.00 0.00 H new ATOM 781 N GLN A 54 -8.410 -13.298 0.144 1.00 0.00 N ATOM 782 CA GLN A 54 -6.964 -13.447 0.226 1.00 0.00 C ATOM 783 C GLN A 54 -6.417 -13.955 -1.104 1.00 0.00 C ATOM 784 O GLN A 54 -7.132 -14.665 -1.814 1.00 0.00 O ATOM 785 CB GLN A 54 -6.594 -14.328 1.428 1.00 0.00 C ATOM 786 CG GLN A 54 -7.124 -15.771 1.440 1.00 0.00 C ATOM 787 CD GLN A 54 -6.975 -16.402 2.834 1.00 0.00 C ATOM 788 OE1 GLN A 54 -7.256 -15.685 3.916 1.00 0.00 O flip ATOM 789 NE2 GLN A 54 -6.577 -17.554 2.979 1.00 0.00 N flip ATOM 0 HA GLN A 54 -6.491 -12.481 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.507 -14.368 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.949 -13.832 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.173 -15.779 1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.581 -16.368 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.355 -18.123 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.468 -17.942 3.916 1.00 0.00 H new ATOM 798 N PRO A 55 -5.177 -13.584 -1.459 1.00 0.00 N ATOM 799 CA PRO A 55 -4.618 -13.858 -2.772 1.00 0.00 C ATOM 800 C PRO A 55 -4.384 -15.353 -2.970 1.00 0.00 C ATOM 801 O PRO A 55 -4.357 -16.101 -1.986 1.00 0.00 O ATOM 802 CB PRO A 55 -3.295 -13.089 -2.832 1.00 0.00 C ATOM 803 CG PRO A 55 -2.900 -12.919 -1.375 1.00 0.00 C ATOM 804 CD PRO A 55 -4.234 -12.843 -0.644 1.00 0.00 C ATOM 0 HA PRO A 55 -5.300 -13.547 -3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.538 -13.641 -3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.416 -12.126 -3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.298 -13.757 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.309 -12.016 -1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.157 -13.274 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.553 -11.808 -0.521 1.00 0.00 H new ATOM 812 N PRO A 56 -4.160 -15.786 -4.224 1.00 0.00 N ATOM 813 CA PRO A 56 -3.749 -17.153 -4.489 1.00 0.00 C ATOM 814 C PRO A 56 -2.413 -17.472 -3.791 1.00 0.00 C ATOM 815 O PRO A 56 -1.660 -16.560 -3.430 1.00 0.00 O ATOM 816 CB PRO A 56 -3.682 -17.282 -6.015 1.00 0.00 C ATOM 817 CG PRO A 56 -3.544 -15.850 -6.526 1.00 0.00 C ATOM 818 CD PRO A 56 -4.219 -15.002 -5.454 1.00 0.00 C ATOM 0 HA PRO A 56 -4.452 -17.882 -4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.834 -17.894 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.579 -17.758 -6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.498 -15.572 -6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.027 -15.725 -7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.708 -14.047 -5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.251 -14.779 -5.725 1.00 0.00 H new ATOM 826 N PRO A 57 -2.109 -18.765 -3.592 1.00 0.00 N ATOM 827 CA PRO A 57 -0.868 -19.188 -2.967 1.00 0.00 C ATOM 828 C PRO A 57 0.259 -19.275 -3.998 1.00 0.00 C ATOM 829 O PRO A 57 -0.003 -19.471 -5.187 1.00 0.00 O ATOM 830 CB PRO A 57 -1.187 -20.568 -2.395 1.00 0.00 C ATOM 831 CG PRO A 57 -2.170 -21.138 -3.413 1.00 0.00 C ATOM 832 CD PRO A 57 -2.970 -19.911 -3.848 1.00 0.00 C ATOM 0 HA PRO A 57 -0.527 -18.488 -2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.293 -21.185 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.628 -20.501 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.655 -21.602 -4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.811 -21.901 -2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.237 -19.972 -4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.902 -19.833 -3.288 1.00 0.00 H new ATOM 840 N ASN A 58 1.518 -19.256 -3.542 1.00 0.00 N ATOM 841 CA ASN A 58 2.726 -19.156 -4.380 1.00 0.00 C ATOM 842 C ASN A 58 2.687 -17.912 -5.270 1.00 0.00 C ATOM 843 O ASN A 58 3.134 -17.937 -6.419 1.00 0.00 O ATOM 844 CB ASN A 58 2.960 -20.431 -5.215 1.00 0.00 C ATOM 845 CG ASN A 58 3.647 -21.543 -4.465 1.00 0.00 C ATOM 846 OD1 ASN A 58 4.707 -21.344 -3.876 1.00 0.00 O ATOM 847 ND2 ASN A 58 3.068 -22.728 -4.502 1.00 0.00 N ATOM 0 H ASN A 58 1.734 -19.312 -2.547 1.00 0.00 H new ATOM 0 HA ASN A 58 3.574 -19.056 -3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.999 -20.794 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.558 -20.174 -6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.501 -23.522 -4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.188 -22.850 -5.003 1.00 0.00 H new ATOM 854 N THR A 59 2.136 -16.815 -4.768 1.00 0.00 N ATOM 855 CA THR A 59 1.900 -15.623 -5.565 1.00 0.00 C ATOM 856 C THR A 59 2.434 -14.391 -4.843 1.00 0.00 C ATOM 857 O THR A 59 3.039 -13.525 -5.475 1.00 0.00 O ATOM 858 CB THR A 59 0.399 -15.490 -5.866 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.278 -16.721 -5.941 1.00 0.00 O ATOM 860 CG2 THR A 59 0.189 -14.835 -7.214 1.00 0.00 C ATOM 0 H THR A 59 1.840 -16.728 -3.796 1.00 0.00 H new ATOM 0 HA THR A 59 2.432 -15.708 -6.512 1.00 0.00 H new ATOM 0 HB THR A 59 0.003 -14.904 -5.037 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.678 -16.821 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.879 -14.748 -7.414 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.640 -13.843 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.655 -15.442 -7.990 1.00 0.00 H new ATOM 868 N LEU A 60 2.246 -14.318 -3.524 1.00 0.00 N ATOM 869 CA LEU A 60 2.883 -13.301 -2.716 1.00 0.00 C ATOM 870 C LEU A 60 4.364 -13.647 -2.593 1.00 0.00 C ATOM 871 O LEU A 60 4.737 -14.810 -2.420 1.00 0.00 O ATOM 872 CB LEU A 60 2.193 -13.186 -1.344 1.00 0.00 C ATOM 873 CG LEU A 60 0.956 -12.268 -1.380 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.214 -12.296 -0.042 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.342 -10.810 -1.661 1.00 0.00 C ATOM 0 H LEU A 60 1.652 -14.960 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 60 2.789 -12.323 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.895 -14.179 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.905 -12.802 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 60 0.318 -12.644 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.655 -11.640 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.112 -13.314 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.880 -11.954 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.444 -10.193 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.012 -10.454 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.845 -10.746 -2.626 1.00 0.00 H new ATOM 887 N SER A 61 5.203 -12.619 -2.661 1.00 0.00 N ATOM 888 CA SER A 61 6.608 -12.704 -2.333 1.00 0.00 C ATOM 889 C SER A 61 7.027 -11.470 -1.548 1.00 0.00 C ATOM 890 O SER A 61 6.365 -10.433 -1.594 1.00 0.00 O ATOM 891 CB SER A 61 7.455 -12.800 -3.594 1.00 0.00 C ATOM 892 OG SER A 61 7.081 -13.844 -4.474 1.00 0.00 O ATOM 0 H SER A 61 4.912 -11.686 -2.953 1.00 0.00 H new ATOM 0 HA SER A 61 6.764 -13.601 -1.733 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.396 -11.852 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.497 -12.940 -3.307 1.00 0.00 H new ATOM 0 HG SER A 61 7.670 -13.838 -5.258 1.00 0.00 H new ATOM 898 N GLU A 62 8.196 -11.540 -0.918 1.00 0.00 N ATOM 899 CA GLU A 62 8.757 -10.482 -0.085 1.00 0.00 C ATOM 900 C GLU A 62 9.225 -9.257 -0.886 1.00 0.00 C ATOM 901 O GLU A 62 9.682 -8.271 -0.316 1.00 0.00 O ATOM 902 CB GLU A 62 9.934 -11.038 0.732 1.00 0.00 C ATOM 903 CG GLU A 62 9.599 -12.219 1.656 1.00 0.00 C ATOM 904 CD GLU A 62 10.705 -12.541 2.668 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.614 -11.708 2.910 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.630 -13.653 3.235 1.00 0.00 O ATOM 0 H GLU A 62 8.798 -12.361 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 62 7.955 -10.143 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.717 -11.351 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.346 -10.231 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.678 -11.997 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.407 -13.102 1.047 1.00 0.00 H new ATOM 913 N GLY A 63 9.125 -9.288 -2.207 1.00 0.00 N ATOM 914 CA GLY A 63 9.508 -8.202 -3.098 1.00 0.00 C ATOM 915 C GLY A 63 8.524 -8.100 -4.251 1.00 0.00 C ATOM 916 O GLY A 63 8.915 -7.679 -5.338 1.00 0.00 O ATOM 0 H GLY A 63 8.762 -10.100 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.534 -7.262 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.513 -8.374 -3.482 1.00 0.00 H new ATOM 920 N ALA A 64 7.269 -8.507 -4.028 1.00 0.00 N ATOM 921 CA ALA A 64 6.184 -8.183 -4.942 1.00 0.00 C ATOM 922 C ALA A 64 6.146 -6.666 -5.038 1.00 0.00 C ATOM 923 O ALA A 64 6.255 -5.987 -4.015 1.00 0.00 O ATOM 924 CB ALA A 64 4.864 -8.804 -4.444 1.00 0.00 C ATOM 0 H ALA A 64 6.986 -9.061 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 64 6.336 -8.600 -5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.060 -8.554 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.970 -9.887 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.627 -8.410 -3.456 1.00 0.00 H new ATOM 930 N GLU A 65 6.074 -6.140 -6.256 1.00 0.00 N ATOM 931 CA GLU A 65 5.757 -4.755 -6.512 1.00 0.00 C ATOM 932 C GLU A 65 4.249 -4.639 -6.276 1.00 0.00 C ATOM 933 O GLU A 65 3.443 -5.341 -6.901 1.00 0.00 O ATOM 934 CB GLU A 65 6.263 -4.299 -7.896 1.00 0.00 C ATOM 935 CG GLU A 65 5.767 -5.088 -9.113 1.00 0.00 C ATOM 936 CD GLU A 65 6.348 -4.545 -10.430 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.573 -4.661 -10.662 1.00 0.00 O ATOM 938 OE2 GLU A 65 5.590 -4.126 -11.334 1.00 0.00 O ATOM 0 H GLU A 65 6.239 -6.682 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 65 6.272 -4.063 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.982 -3.255 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.352 -4.338 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.042 -6.137 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.679 -5.046 -9.153 1.00 0.00 H new ATOM 945 N VAL A 66 3.887 -3.837 -5.280 1.00 0.00 N ATOM 946 CA VAL A 66 2.529 -3.695 -4.777 1.00 0.00 C ATOM 947 C VAL A 66 2.258 -2.205 -4.693 1.00 0.00 C ATOM 948 O VAL A 66 3.143 -1.440 -4.313 1.00 0.00 O ATOM 949 CB VAL A 66 2.324 -4.412 -3.427 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.728 -5.885 -3.493 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.111 -3.744 -2.297 1.00 0.00 C ATOM 0 H VAL A 66 4.556 -3.248 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 66 1.817 -4.176 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 66 1.257 -4.339 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.567 -6.350 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.124 -6.395 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.782 -5.962 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.937 -4.282 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.175 -3.763 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.782 -2.711 -2.186 1.00 0.00 H new ATOM 961 N SER A 67 1.061 -1.765 -5.044 1.00 0.00 N ATOM 962 CA SER A 67 0.831 -0.354 -5.297 1.00 0.00 C ATOM 963 C SER A 67 -0.314 0.140 -4.405 1.00 0.00 C ATOM 964 O SER A 67 -1.434 -0.369 -4.499 1.00 0.00 O ATOM 965 CB SER A 67 0.651 -0.113 -6.806 1.00 0.00 C ATOM 966 OG SER A 67 1.037 -1.191 -7.645 1.00 0.00 O ATOM 0 H SER A 67 0.240 -2.359 -5.159 1.00 0.00 H new ATOM 0 HA SER A 67 1.695 0.250 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.397 0.117 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.227 0.768 -7.087 1.00 0.00 H new ATOM 0 HG SER A 67 0.886 -0.947 -8.582 1.00 0.00 H new ATOM 972 N VAL A 68 -0.015 1.076 -3.492 1.00 0.00 N ATOM 973 CA VAL A 68 -0.955 1.575 -2.498 1.00 0.00 C ATOM 974 C VAL A 68 -1.987 2.473 -3.168 1.00 0.00 C ATOM 975 O VAL A 68 -1.676 3.045 -4.199 1.00 0.00 O ATOM 976 CB VAL A 68 -0.246 2.313 -1.342 1.00 0.00 C ATOM 977 CG1 VAL A 68 1.027 1.686 -0.792 1.00 0.00 C ATOM 978 CG2 VAL A 68 -0.084 3.809 -1.434 1.00 0.00 C ATOM 0 H VAL A 68 0.906 1.510 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.461 0.717 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.037 2.146 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.420 2.307 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.806 0.690 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.769 1.612 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.432 4.174 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.499 4.058 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.066 4.278 -1.502 1.00 0.00 H new ATOM 988 N SER A 69 -3.119 2.737 -2.524 1.00 0.00 N ATOM 989 CA SER A 69 -3.911 3.960 -2.659 1.00 0.00 C ATOM 990 C SER A 69 -4.854 4.170 -1.466 1.00 0.00 C ATOM 991 O SER A 69 -5.445 3.204 -0.961 1.00 0.00 O ATOM 992 CB SER A 69 -4.672 3.893 -3.984 1.00 0.00 C ATOM 993 OG SER A 69 -5.840 3.088 -3.974 1.00 0.00 O ATOM 0 H SER A 69 -3.530 2.077 -1.864 1.00 0.00 H new ATOM 0 HA SER A 69 -3.247 4.824 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.951 4.906 -4.275 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.997 3.515 -4.752 1.00 0.00 H new ATOM 0 HG SER A 69 -6.258 3.108 -4.860 1.00 0.00 H new ATOM 999 N VAL A 70 -5.016 5.420 -1.015 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.977 5.827 -0.003 1.00 0.00 C ATOM 1001 C VAL A 70 -6.467 7.247 -0.304 1.00 0.00 C ATOM 1002 O VAL A 70 -5.803 8.036 -0.986 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.359 5.675 1.401 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -4.248 6.690 1.700 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.445 5.717 2.478 1.00 0.00 C ATOM 0 H VAL A 70 -4.457 6.199 -1.363 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.854 5.179 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.879 4.697 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.862 6.521 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.442 6.570 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.650 7.701 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.987 5.608 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.972 6.670 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.151 4.903 2.315 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.634 7.561 0.244 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.214 8.884 0.284 1.00 0.00 C ATOM 1017 C TRP A 71 -7.781 9.531 1.587 1.00 0.00 C ATOM 1018 O TRP A 71 -8.018 8.976 2.663 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.729 8.749 0.204 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.184 8.083 -1.058 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.295 6.755 -1.274 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.498 8.704 -2.333 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.723 6.520 -2.565 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.843 7.693 -3.276 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.519 10.036 -2.773 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -11.194 7.993 -4.599 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.876 10.351 -4.093 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -11.206 9.335 -5.009 1.00 0.00 C ATOM 0 H TRP A 71 -8.225 6.861 0.693 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.884 9.503 -0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.084 8.176 1.061 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.182 9.738 0.272 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.080 5.989 -0.544 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.925 5.595 -2.944 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.257 10.828 -2.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.451 7.205 -5.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.898 11.383 -4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.468 9.588 -6.026 1.00 0.00 H new ATOM 1039 N THR A 72 -7.109 10.665 1.467 1.00 0.00 N ATOM 1040 CA THR A 72 -6.577 11.461 2.554 1.00 0.00 C ATOM 1041 C THR A 72 -6.584 12.907 2.055 1.00 0.00 C ATOM 1042 O THR A 72 -6.627 13.139 0.835 1.00 0.00 O ATOM 1043 CB THR A 72 -5.163 10.955 2.890 1.00 0.00 C ATOM 1044 OG1 THR A 72 -4.617 11.692 3.954 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.223 11.022 1.671 1.00 0.00 C ATOM 0 H THR A 72 -6.911 11.075 0.554 1.00 0.00 H new ATOM 0 HA THR A 72 -7.162 11.389 3.471 1.00 0.00 H new ATOM 0 HB THR A 72 -5.256 9.909 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.270 11.077 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.236 10.656 1.952 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.624 10.404 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.143 12.054 1.329 1.00 0.00 H new ATOM 1053 N GLY A 73 -6.524 13.884 2.962 1.00 0.00 N ATOM 1054 CA GLY A 73 -6.747 15.279 2.620 1.00 0.00 C ATOM 1055 C GLY A 73 -7.997 15.377 1.740 1.00 0.00 C ATOM 1056 O GLY A 73 -9.072 14.955 2.168 1.00 0.00 O ATOM 0 H GLY A 73 -6.320 13.725 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.874 15.874 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.882 15.682 2.093 1.00 0.00 H new ATOM 1060 N GLY A 74 -7.872 15.847 0.501 1.00 0.00 N ATOM 1061 CA GLY A 74 -8.977 16.115 -0.404 1.00 0.00 C ATOM 1062 C GLY A 74 -8.837 15.466 -1.776 1.00 0.00 C ATOM 1063 O GLY A 74 -9.441 15.972 -2.718 1.00 0.00 O ATOM 0 H GLY A 74 -6.963 16.058 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.901 15.767 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.072 17.193 -0.533 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.022 14.421 -1.951 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.774 13.767 -3.239 1.00 0.00 C ATOM 1069 C ALA A 75 -7.370 12.301 -3.023 1.00 0.00 C ATOM 1070 O ALA A 75 -7.161 11.878 -1.883 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.678 14.544 -3.980 1.00 0.00 C ATOM 0 H ALA A 75 -7.504 13.996 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.682 13.769 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.482 14.069 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.006 15.571 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.766 14.545 -3.383 1.00 0.00 H new ATOM 1077 N LEU A 76 -7.259 11.515 -4.102 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.773 10.148 -4.017 1.00 0.00 C ATOM 1079 C LEU A 76 -5.264 10.181 -4.215 1.00 0.00 C ATOM 1080 O LEU A 76 -4.763 10.521 -5.292 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.429 9.272 -5.086 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.944 7.813 -5.044 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -7.370 7.035 -3.795 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -7.489 7.082 -6.266 1.00 0.00 C ATOM 0 H LEU A 76 -7.503 11.813 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.023 9.721 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.511 9.294 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.220 9.691 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.855 7.857 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.984 6.017 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.971 7.526 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.458 7.008 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.153 6.045 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.579 7.111 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.126 7.567 -7.172 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.535 9.792 -3.179 1.00 0.00 N ATOM 1097 CA CYS A 77 -3.104 9.600 -3.247 1.00 0.00 C ATOM 1098 C CYS A 77 -2.819 8.121 -3.531 1.00 0.00 C ATOM 1099 O CYS A 77 -3.614 7.234 -3.201 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.525 10.091 -1.927 1.00 0.00 C ATOM 1101 SG CYS A 77 -2.531 11.896 -1.881 1.00 0.00 S ATOM 0 H CYS A 77 -4.931 9.600 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.635 10.164 -4.053 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.109 9.696 -1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.507 9.720 -1.807 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.037 12.303 -0.749 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.699 7.858 -4.205 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.276 6.543 -4.673 1.00 0.00 C ATOM 1109 C ARG A 78 0.224 6.600 -4.849 1.00 0.00 C ATOM 1110 O ARG A 78 0.745 7.591 -5.356 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.013 6.210 -5.980 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.583 4.964 -6.745 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.430 5.023 -7.758 1.00 0.00 C ATOM 1114 NE ARG A 78 -0.330 3.724 -8.445 1.00 0.00 N ATOM 1115 CZ ARG A 78 0.143 3.458 -9.663 1.00 0.00 C ATOM 1116 NH1 ARG A 78 0.736 4.405 -10.377 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -0.010 2.237 -10.165 1.00 0.00 N ATOM 0 H ARG A 78 -1.033 8.591 -4.449 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.520 5.751 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.074 6.111 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.910 7.065 -6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.321 4.208 -6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.460 4.597 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.605 5.819 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.506 5.254 -7.250 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.668 2.919 -7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.833 5.346 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.095 4.193 -11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.484 1.517 -9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.347 2.020 -11.095 1.00 0.00 H new ATOM 1131 N CYS A 79 0.894 5.560 -4.366 1.00 0.00 N ATOM 1132 CA CYS A 79 2.329 5.436 -4.330 1.00 0.00 C ATOM 1133 C CYS A 79 2.662 3.975 -4.614 1.00 0.00 C ATOM 1134 O CYS A 79 2.080 3.093 -3.970 1.00 0.00 O ATOM 1135 CB CYS A 79 2.731 5.847 -2.913 1.00 0.00 C ATOM 1136 SG CYS A 79 4.522 6.036 -2.774 1.00 0.00 S ATOM 0 H CYS A 79 0.420 4.747 -3.973 1.00 0.00 H new ATOM 0 HA CYS A 79 2.854 6.052 -5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.242 6.785 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.385 5.097 -2.202 1.00 0.00 H new ATOM 0 HG CYS A 79 5.102 5.412 -3.756 1.00 0.00 H new ATOM 1142 N ASP A 80 3.493 3.700 -5.616 1.00 0.00 N ATOM 1143 CA ASP A 80 3.949 2.336 -5.895 1.00 0.00 C ATOM 1144 C ASP A 80 4.879 1.914 -4.747 1.00 0.00 C ATOM 1145 O ASP A 80 5.506 2.747 -4.091 1.00 0.00 O ATOM 1146 CB ASP A 80 4.631 2.200 -7.274 1.00 0.00 C ATOM 1147 CG ASP A 80 3.666 2.308 -8.461 1.00 0.00 C ATOM 1148 OD1 ASP A 80 3.002 1.304 -8.802 1.00 0.00 O ATOM 1149 OD2 ASP A 80 3.628 3.381 -9.107 1.00 0.00 O ATOM 0 H ASP A 80 3.867 4.405 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 80 3.087 1.670 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.394 2.973 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.143 1.239 -7.321 1.00 0.00 H new ATOM 1154 N GLY A 81 4.973 0.620 -4.468 1.00 0.00 N ATOM 1155 CA GLY A 81 5.688 0.075 -3.325 1.00 0.00 C ATOM 1156 C GLY A 81 6.233 -1.321 -3.616 1.00 0.00 C ATOM 1157 O GLY A 81 6.102 -1.840 -4.733 1.00 0.00 O ATOM 0 H GLY A 81 4.541 -0.099 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.510 0.739 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.021 0.034 -2.464 1.00 0.00 H new ATOM 1161 N ARG A 82 6.836 -1.949 -2.603 1.00 0.00 N ATOM 1162 CA ARG A 82 7.100 -3.388 -2.573 1.00 0.00 C ATOM 1163 C ARG A 82 6.587 -3.963 -1.265 1.00 0.00 C ATOM 1164 O ARG A 82 6.257 -3.192 -0.373 1.00 0.00 O ATOM 1165 CB ARG A 82 8.583 -3.751 -2.707 1.00 0.00 C ATOM 1166 CG ARG A 82 9.273 -3.090 -3.897 1.00 0.00 C ATOM 1167 CD ARG A 82 10.055 -4.111 -4.711 1.00 0.00 C ATOM 1168 NE ARG A 82 11.284 -4.592 -4.057 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.304 -5.191 -4.687 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.249 -5.451 -5.992 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.400 -5.531 -4.027 1.00 0.00 N ATOM 0 H ARG A 82 7.160 -1.462 -1.767 1.00 0.00 H new ATOM 0 HA ARG A 82 6.585 -3.809 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.102 -3.464 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.676 -4.833 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.529 -2.607 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.946 -2.309 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.410 -4.964 -4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.318 -3.669 -5.672 1.00 0.00 H new ATOM 0 HE ARG A 82 11.365 -4.459 -3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.421 -5.193 -6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.035 -5.908 -6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.475 -5.338 -3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.170 -5.986 -4.517 1.00 0.00 H new ATOM 1185 N VAL A 83 6.597 -5.284 -1.120 1.00 0.00 N ATOM 1186 CA VAL A 83 6.291 -5.977 0.130 1.00 0.00 C ATOM 1187 C VAL A 83 7.370 -5.750 1.201 1.00 0.00 C ATOM 1188 O VAL A 83 7.062 -5.681 2.381 1.00 0.00 O ATOM 1189 CB VAL A 83 6.056 -7.464 -0.181 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.916 -8.321 1.075 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.773 -7.603 -1.009 1.00 0.00 C ATOM 0 H VAL A 83 6.823 -5.919 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 83 5.381 -5.562 0.563 1.00 0.00 H new ATOM 0 HB VAL A 83 6.930 -7.819 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.752 -9.360 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.827 -8.247 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.069 -7.968 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.598 -8.655 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.930 -7.208 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.878 -7.045 -1.939 1.00 0.00 H new ATOM 1201 N GLU A 84 8.632 -5.596 0.818 1.00 0.00 N ATOM 1202 CA GLU A 84 9.800 -5.531 1.707 1.00 0.00 C ATOM 1203 C GLU A 84 10.052 -6.869 2.427 1.00 0.00 C ATOM 1204 O GLU A 84 11.066 -7.511 2.163 1.00 0.00 O ATOM 1205 CB GLU A 84 9.703 -4.322 2.663 1.00 0.00 C ATOM 1206 CG GLU A 84 11.067 -3.812 3.166 1.00 0.00 C ATOM 1207 CD GLU A 84 11.246 -3.935 4.683 1.00 0.00 C ATOM 1208 OE1 GLU A 84 11.329 -5.096 5.156 1.00 0.00 O ATOM 1209 OE2 GLU A 84 11.370 -2.882 5.350 1.00 0.00 O ATOM 0 H GLU A 84 8.887 -5.508 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 84 10.685 -5.365 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.188 -3.508 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.091 -4.598 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.860 -4.370 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.184 -2.767 2.878 1.00 0.00 H new ATOM 1216 N THR A 85 9.151 -7.315 3.306 1.00 0.00 N ATOM 1217 CA THR A 85 9.200 -8.614 3.976 1.00 0.00 C ATOM 1218 C THR A 85 7.762 -9.112 4.153 1.00 0.00 C ATOM 1219 O THR A 85 6.904 -8.395 4.670 1.00 0.00 O ATOM 1220 CB THR A 85 9.968 -8.496 5.311 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.344 -8.281 5.076 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.876 -9.760 6.173 1.00 0.00 C ATOM 0 H THR A 85 8.339 -6.761 3.579 1.00 0.00 H new ATOM 0 HA THR A 85 9.744 -9.346 3.379 1.00 0.00 H new ATOM 0 HB THR A 85 9.503 -7.660 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.528 -7.318 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.436 -9.612 7.096 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.832 -9.963 6.411 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.295 -10.605 5.626 1.00 0.00 H new ATOM 1230 N LEU A 86 7.479 -10.332 3.688 1.00 0.00 N ATOM 1231 CA LEU A 86 6.199 -11.004 3.896 1.00 0.00 C ATOM 1232 C LEU A 86 6.232 -11.747 5.242 1.00 0.00 C ATOM 1233 O LEU A 86 7.312 -11.952 5.799 1.00 0.00 O ATOM 1234 CB LEU A 86 5.908 -11.962 2.723 1.00 0.00 C ATOM 1235 CG LEU A 86 4.404 -12.214 2.487 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.806 -11.160 1.550 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.149 -13.580 1.865 1.00 0.00 C ATOM 0 H LEU A 86 8.144 -10.886 3.149 1.00 0.00 H new ATOM 0 HA LEU A 86 5.393 -10.271 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.346 -11.552 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.402 -12.915 2.913 1.00 0.00 H new ATOM 0 HG LEU A 86 3.932 -12.162 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.745 -11.364 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.927 -10.170 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.319 -11.195 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.078 -13.717 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.661 -13.644 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.525 -14.358 2.529 1.00 0.00 H new ATOM 1249 N ARG A 87 5.078 -12.175 5.771 1.00 0.00 N ATOM 1250 CA ARG A 87 5.005 -12.985 6.985 1.00 0.00 C ATOM 1251 C ARG A 87 3.993 -14.131 6.870 1.00 0.00 C ATOM 1252 O ARG A 87 4.296 -15.243 7.286 1.00 0.00 O ATOM 1253 CB ARG A 87 4.735 -12.049 8.170 1.00 0.00 C ATOM 1254 CG ARG A 87 4.496 -12.809 9.473 1.00 0.00 C ATOM 1255 CD ARG A 87 4.454 -11.798 10.615 1.00 0.00 C ATOM 1256 NE ARG A 87 4.314 -12.444 11.930 1.00 0.00 N ATOM 1257 CZ ARG A 87 5.274 -13.075 12.617 1.00 0.00 C ATOM 1258 NH1 ARG A 87 6.446 -13.351 12.054 1.00 0.00 N ATOM 1259 NH2 ARG A 87 5.048 -13.436 13.878 1.00 0.00 N ATOM 0 H ARG A 87 4.167 -11.966 5.364 1.00 0.00 H new ATOM 0 HA ARG A 87 5.957 -13.490 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.582 -11.375 8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.865 -11.430 7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.559 -13.364 9.423 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.290 -13.537 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.366 -11.201 10.602 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.621 -11.112 10.459 1.00 0.00 H new ATOM 0 HE ARG A 87 3.391 -12.407 12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.623 -13.081 11.086 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.168 -13.832 12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.149 -13.231 14.314 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.774 -13.917 14.409 1.00 0.00 H new ATOM 1273 N ASP A 88 2.805 -13.890 6.325 1.00 0.00 N ATOM 1274 CA ASP A 88 1.753 -14.880 6.078 1.00 0.00 C ATOM 1275 C ASP A 88 1.121 -14.508 4.734 1.00 0.00 C ATOM 1276 O ASP A 88 1.415 -13.443 4.188 1.00 0.00 O ATOM 1277 CB ASP A 88 0.653 -14.818 7.160 1.00 0.00 C ATOM 1278 CG ASP A 88 1.035 -15.300 8.560 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.075 -16.527 8.785 1.00 0.00 O ATOM 1280 OD2 ASP A 88 1.093 -14.457 9.490 1.00 0.00 O ATOM 0 H ASP A 88 2.533 -12.953 6.027 1.00 0.00 H new ATOM 0 HA ASP A 88 2.179 -15.883 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.311 -13.786 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.195 -15.410 6.816 1.00 0.00 H new ATOM 1285 N ASP A 89 0.157 -15.286 4.229 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.662 -14.885 3.072 1.00 0.00 C ATOM 1287 C ASP A 89 -1.534 -13.663 3.385 1.00 0.00 C ATOM 1288 O ASP A 89 -2.187 -13.121 2.489 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.528 -16.058 2.570 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.794 -16.940 1.564 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.458 -16.964 1.556 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -1.460 -17.626 0.767 1.00 0.00 O ATOM 0 H ASP A 89 -0.079 -16.205 4.605 1.00 0.00 H new ATOM 0 HA ASP A 89 0.027 -14.602 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.840 -16.665 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.434 -15.665 2.110 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.550 -13.202 4.645 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.380 -12.106 5.112 1.00 0.00 C ATOM 1299 C ARG A 90 -1.690 -11.145 6.066 1.00 0.00 C ATOM 1300 O ARG A 90 -2.349 -10.203 6.494 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.647 -12.671 5.759 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.412 -13.604 6.959 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.747 -13.835 7.679 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.940 -15.222 8.136 1.00 0.00 N ATOM 1305 CZ ARG A 90 -5.866 -15.601 9.031 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -6.604 -14.691 9.659 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -6.048 -16.888 9.314 1.00 0.00 N ATOM 0 H ARG A 90 -0.965 -13.600 5.380 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.619 -11.511 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.271 -11.839 6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.210 -13.216 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.996 -14.554 6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.687 -13.163 7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.807 -13.167 8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.563 -13.566 7.008 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.330 -15.941 7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.468 -13.700 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.306 -14.984 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.481 -17.597 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.754 -17.165 9.996 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.430 -11.360 6.443 1.00 0.00 N ATOM 1322 CA GLN A 91 0.344 -10.397 7.210 1.00 0.00 C ATOM 1323 C GLN A 91 1.643 -10.179 6.475 1.00 0.00 C ATOM 1324 O GLN A 91 2.265 -11.155 6.058 1.00 0.00 O ATOM 1325 CB GLN A 91 0.695 -10.898 8.613 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.491 -11.023 9.575 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.072 -11.223 11.041 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.671 -12.002 11.780 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.943 -10.532 11.541 1.00 0.00 N ATOM 0 H GLN A 91 0.081 -12.214 6.221 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.254 -9.492 7.315 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.175 -11.873 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.428 -10.220 9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.106 -10.126 9.500 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.113 -11.863 9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.456 -9.879 10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.211 -10.653 12.518 1.00 0.00 H new ATOM 1338 N PHE A 92 2.061 -8.931 6.331 1.00 0.00 N ATOM 1339 CA PHE A 92 3.288 -8.591 5.613 1.00 0.00 C ATOM 1340 C PHE A 92 3.532 -7.091 5.699 1.00 0.00 C ATOM 1341 O PHE A 92 2.643 -6.338 6.109 1.00 0.00 O ATOM 1342 CB PHE A 92 3.201 -9.051 4.154 1.00 0.00 C ATOM 1343 CG PHE A 92 1.882 -8.786 3.488 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.625 -7.504 3.004 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.898 -9.788 3.406 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.373 -7.209 2.470 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.372 -9.475 2.908 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.645 -8.183 2.435 1.00 0.00 C ATOM 0 H PHE A 92 1.563 -8.124 6.706 1.00 0.00 H new ATOM 0 HA PHE A 92 4.129 -9.108 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.986 -8.555 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.405 -10.121 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.392 -6.745 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.122 -10.795 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.180 -6.221 2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.144 -10.230 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.623 -7.938 2.049 1.00 0.00 H new ATOM 1358 N ALA A 93 4.739 -6.666 5.340 1.00 0.00 N ATOM 1359 CA ALA A 93 5.122 -5.271 5.318 1.00 0.00 C ATOM 1360 C ALA A 93 4.820 -4.649 3.948 1.00 0.00 C ATOM 1361 O ALA A 93 4.357 -5.340 3.040 1.00 0.00 O ATOM 1362 CB ALA A 93 6.596 -5.143 5.716 1.00 0.00 C ATOM 0 H ALA A 93 5.487 -7.297 5.052 1.00 0.00 H new ATOM 0 HA ALA A 93 4.533 -4.712 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.887 -4.093 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.738 -5.544 6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.213 -5.701 5.012 1.00 0.00 H new ATOM 1368 N ILE A 94 5.100 -3.353 3.781 1.00 0.00 N ATOM 1369 CA ILE A 94 5.274 -2.704 2.491 1.00 0.00 C ATOM 1370 C ILE A 94 6.298 -1.571 2.578 1.00 0.00 C ATOM 1371 O ILE A 94 6.187 -0.723 3.462 1.00 0.00 O ATOM 1372 CB ILE A 94 3.953 -2.137 1.931 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.092 -1.419 2.991 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.153 -3.224 1.204 1.00 0.00 C ATOM 1375 CD1 ILE A 94 1.979 -0.560 2.383 1.00 0.00 C ATOM 0 H ILE A 94 5.214 -2.713 4.567 1.00 0.00 H new ATOM 0 HA ILE A 94 5.632 -3.478 1.812 1.00 0.00 H new ATOM 0 HB ILE A 94 4.234 -1.370 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.648 -2.162 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.735 -0.788 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.227 -2.798 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.743 -3.618 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.920 -4.031 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.411 -0.083 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.418 0.205 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.315 -1.190 1.792 1.00 0.00 H new ATOM 1387 N ARG A 95 7.234 -1.489 1.626 1.00 0.00 N ATOM 1388 CA ARG A 95 8.076 -0.313 1.403 1.00 0.00 C ATOM 1389 C ARG A 95 7.386 0.596 0.399 1.00 0.00 C ATOM 1390 O ARG A 95 7.040 0.135 -0.682 1.00 0.00 O ATOM 1391 CB ARG A 95 9.477 -0.708 0.898 1.00 0.00 C ATOM 1392 CG ARG A 95 10.484 0.457 0.976 1.00 0.00 C ATOM 1393 CD ARG A 95 11.349 0.395 2.245 1.00 0.00 C ATOM 1394 NE ARG A 95 12.543 -0.449 2.062 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.705 -0.055 1.526 1.00 0.00 C ATOM 1396 NH1 ARG A 95 13.868 1.177 1.058 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.716 -0.903 1.451 1.00 0.00 N ATOM 0 H ARG A 95 7.429 -2.253 0.979 1.00 0.00 H new ATOM 0 HA ARG A 95 8.212 0.210 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.849 -1.546 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.404 -1.052 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.129 0.436 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.944 1.404 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.657 1.403 2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.753 0.005 3.070 1.00 0.00 H new ATOM 0 HE ARG A 95 12.479 -1.419 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.099 1.845 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.762 1.455 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.610 -1.855 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.602 -0.605 1.043 1.00 0.00 H new ATOM 1411 N LEU A 96 7.212 1.874 0.731 1.00 0.00 N ATOM 1412 CA LEU A 96 6.714 2.896 -0.189 1.00 0.00 C ATOM 1413 C LEU A 96 7.894 3.437 -0.999 1.00 0.00 C ATOM 1414 O LEU A 96 8.907 3.803 -0.390 1.00 0.00 O ATOM 1415 CB LEU A 96 6.086 4.059 0.601 1.00 0.00 C ATOM 1416 CG LEU A 96 4.845 3.789 1.474 1.00 0.00 C ATOM 1417 CD1 LEU A 96 3.919 2.723 0.900 1.00 0.00 C ATOM 1418 CD2 LEU A 96 5.198 3.431 2.921 1.00 0.00 C ATOM 0 H LEU A 96 7.417 2.235 1.663 1.00 0.00 H new ATOM 0 HA LEU A 96 5.961 2.458 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.860 4.472 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.821 4.837 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 96 4.309 4.738 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.067 2.584 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.565 3.039 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.462 1.783 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.283 3.252 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.813 2.531 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.749 4.254 3.375 1.00 0.00 H new ATOM 1430 N VAL A 97 7.793 3.526 -2.330 1.00 0.00 N ATOM 1431 CA VAL A 97 8.870 3.993 -3.201 1.00 0.00 C ATOM 1432 C VAL A 97 8.344 4.938 -4.285 1.00 0.00 C ATOM 1433 O VAL A 97 7.142 5.099 -4.467 1.00 0.00 O ATOM 1434 CB VAL A 97 9.632 2.790 -3.796 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.342 1.966 -2.711 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.782 1.847 -4.662 1.00 0.00 C ATOM 0 H VAL A 97 6.946 3.271 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 97 9.574 4.572 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 97 10.364 3.254 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.866 1.129 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.059 2.597 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.606 1.586 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.405 1.034 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.969 1.436 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.367 2.401 -5.504 1.00 0.00 H new ATOM 1446 N GLY A 98 9.250 5.576 -5.033 1.00 0.00 N ATOM 1447 CA GLY A 98 8.869 6.329 -6.220 1.00 0.00 C ATOM 1448 C GLY A 98 8.060 7.593 -5.922 1.00 0.00 C ATOM 1449 O GLY A 98 7.514 8.174 -6.861 1.00 0.00 O ATOM 0 H GLY A 98 10.250 5.583 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.770 6.607 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.286 5.683 -6.876 1.00 0.00 H new ATOM 1453 N ARG A 99 8.029 8.012 -4.650 1.00 0.00 N ATOM 1454 CA ARG A 99 7.280 9.079 -4.007 1.00 0.00 C ATOM 1455 C ARG A 99 5.758 8.971 -4.209 1.00 0.00 C ATOM 1456 O ARG A 99 5.263 8.235 -5.058 1.00 0.00 O ATOM 1457 CB ARG A 99 7.951 10.424 -4.351 1.00 0.00 C ATOM 1458 CG ARG A 99 7.366 11.188 -5.546 1.00 0.00 C ATOM 1459 CD ARG A 99 6.180 12.044 -5.100 1.00 0.00 C ATOM 1460 NE ARG A 99 6.307 13.454 -5.486 1.00 0.00 N ATOM 1461 CZ ARG A 99 6.109 13.993 -6.689 1.00 0.00 C ATOM 1462 NH1 ARG A 99 5.667 13.245 -7.701 1.00 0.00 N ATOM 1463 NH2 ARG A 99 6.360 15.289 -6.862 1.00 0.00 N ATOM 0 H ARG A 99 8.613 7.538 -3.961 1.00 0.00 H new ATOM 0 HA ARG A 99 7.332 8.986 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.897 11.068 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.007 10.240 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.133 11.821 -5.992 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.047 10.485 -6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.265 11.637 -5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.080 11.978 -4.017 1.00 0.00 H new ATOM 0 HE ARG A 99 6.580 14.099 -4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.478 12.253 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.518 13.665 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.698 15.852 -6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.215 15.719 -7.775 1.00 0.00 H new ATOM 1477 N VAL A 100 5.002 9.696 -3.391 1.00 0.00 N ATOM 1478 CA VAL A 100 3.554 9.890 -3.442 1.00 0.00 C ATOM 1479 C VAL A 100 3.218 11.331 -3.806 1.00 0.00 C ATOM 1480 O VAL A 100 3.714 12.269 -3.180 1.00 0.00 O ATOM 1481 CB VAL A 100 2.880 9.404 -2.153 1.00 0.00 C ATOM 1482 CG1 VAL A 100 3.642 9.732 -0.883 1.00 0.00 C ATOM 1483 CG2 VAL A 100 1.343 9.515 -2.245 1.00 0.00 C ATOM 0 H VAL A 100 5.419 10.205 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 100 3.141 9.270 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 100 2.976 8.324 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.094 9.352 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.627 9.268 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.753 10.813 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.896 9.163 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.063 10.555 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.983 8.906 -3.074 1.00 0.00 H new ATOM 1493 N ARG A 101 2.379 11.502 -4.823 1.00 0.00 N ATOM 1494 CA ARG A 101 1.728 12.740 -5.191 1.00 0.00 C ATOM 1495 C ARG A 101 0.247 12.385 -5.367 1.00 0.00 C ATOM 1496 O ARG A 101 -0.111 11.216 -5.514 1.00 0.00 O ATOM 1497 CB ARG A 101 2.429 13.286 -6.446 1.00 0.00 C ATOM 1498 CG ARG A 101 1.892 14.631 -6.964 1.00 0.00 C ATOM 1499 CD ARG A 101 1.538 14.602 -8.455 1.00 0.00 C ATOM 1500 NE ARG A 101 2.730 14.444 -9.300 1.00 0.00 N ATOM 1501 CZ ARG A 101 3.620 15.393 -9.612 1.00 0.00 C ATOM 1502 NH1 ARG A 101 3.425 16.652 -9.230 1.00 0.00 N ATOM 1503 NH2 ARG A 101 4.715 15.046 -10.284 1.00 0.00 N ATOM 0 H ARG A 101 2.126 10.733 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 101 1.794 13.539 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.492 13.396 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.341 12.547 -7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.006 14.907 -6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.639 15.405 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.846 13.782 -8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.023 15.524 -8.723 1.00 0.00 H new ATOM 0 HE ARG A 101 2.896 13.516 -9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.592 16.900 -8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.108 17.370 -9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.863 14.073 -10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.407 15.753 -10.532 1.00 0.00 H new