USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 ASN : amide:sc= -5.08! K(o=-7!,f=-3.6) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -148:sc= -1.88! (180deg=-3.54!) USER MOD Single : A 15 LYS NZ :NH3+ -147:sc= -0.345 (180deg=-1.74!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.449 USER MOD Single : A 27 TYR OH : rot 45:sc= 0.0064 USER MOD Single : A 28 SER OG : rot 31:sc= 0.677 USER MOD Single : A 29 THR OG1 : rot 156:sc= -4.28! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -20:sc= 1.07 USER MOD Single : A 36 THR OG1 : rot -116:sc= -0.203! USER MOD Single : A 37 SER OG : rot 170:sc= -1.2 USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.393 (180deg=-0.844) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.41) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0994 USER MOD Single : A 59 THR OG1 : rot -151:sc= -1.75! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 180:sc= -6.18! USER MOD Single : A 73 TYR OH : rot 76:sc= -3.82! USER MOD Single : A 75 TYR OH : rot 122:sc= 1.17 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 38:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.587 -10.664 7.590 1.00 0.00 N ATOM 103 CA PHE A 13 4.367 -10.279 6.207 1.00 0.00 C ATOM 104 C PHE A 13 5.334 -11.009 5.273 1.00 0.00 C ATOM 105 O PHE A 13 4.926 -11.532 4.237 1.00 0.00 O ATOM 106 CB PHE A 13 4.626 -8.774 6.114 1.00 0.00 C ATOM 107 CG PHE A 13 5.200 -8.323 4.769 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.526 -8.474 4.510 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.383 -7.770 3.833 1.00 0.00 C ATOM 110 CE1 PHE A 13 7.058 -8.055 3.262 1.00 0.00 C ATOM 111 CE2 PHE A 13 4.915 -7.351 2.585 1.00 0.00 C ATOM 112 CZ PHE A 13 6.241 -7.503 2.326 1.00 0.00 C ATOM 0 HA PHE A 13 3.351 -10.536 5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.691 -8.243 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.316 -8.485 6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.175 -8.913 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.330 -7.650 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.111 -8.175 3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.266 -6.912 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.645 -7.185 1.376 1.00 0.00 H new ATOM 122 N ARG A 14 6.597 -11.022 5.674 1.00 0.00 N ATOM 123 CA ARG A 14 7.625 -11.680 4.886 1.00 0.00 C ATOM 124 C ARG A 14 7.293 -13.163 4.711 1.00 0.00 C ATOM 125 O ARG A 14 7.659 -13.771 3.707 1.00 0.00 O ATOM 126 CB ARG A 14 8.997 -11.547 5.550 1.00 0.00 C ATOM 127 CG ARG A 14 9.916 -12.702 5.147 1.00 0.00 C ATOM 128 CD ARG A 14 11.377 -12.376 5.462 1.00 0.00 C ATOM 129 NE ARG A 14 11.790 -13.057 6.710 1.00 0.00 N ATOM 130 CZ ARG A 14 11.620 -12.540 7.945 1.00 0.00 C ATOM 131 NH1 ARG A 14 11.043 -11.331 8.109 1.00 0.00 N ATOM 132 NH2 ARG A 14 12.027 -13.235 8.991 1.00 0.00 N ATOM 0 H ARG A 14 6.931 -10.587 6.534 1.00 0.00 H new ATOM 0 HA ARG A 14 7.657 -11.194 3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.453 -10.599 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.880 -11.531 6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.620 -13.608 5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.806 -12.904 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.015 -12.693 4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.503 -11.298 5.567 1.00 0.00 H new ATOM 0 HE ARG A 14 12.230 -13.974 6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.731 -10.800 7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.919 -10.948 9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.462 -14.148 8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.906 -12.859 9.931 1.00 0.00 H new ATOM 146 N LYS A 15 6.602 -13.703 5.705 1.00 0.00 N ATOM 147 CA LYS A 15 6.216 -15.103 5.674 1.00 0.00 C ATOM 148 C LYS A 15 5.458 -15.390 4.376 1.00 0.00 C ATOM 149 O LYS A 15 5.884 -16.220 3.575 1.00 0.00 O ATOM 150 CB LYS A 15 5.435 -15.472 6.937 1.00 0.00 C ATOM 151 CG LYS A 15 6.382 -15.741 8.108 1.00 0.00 C ATOM 152 CD LYS A 15 6.831 -14.433 8.762 1.00 0.00 C ATOM 153 CE LYS A 15 8.340 -14.233 8.610 1.00 0.00 C ATOM 154 NZ LYS A 15 9.068 -15.454 9.020 1.00 0.00 N ATOM 0 H LYS A 15 6.300 -13.196 6.537 1.00 0.00 H new ATOM 0 HA LYS A 15 7.099 -15.742 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.752 -14.663 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.826 -16.356 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.883 -16.369 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.253 -16.294 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.302 -13.595 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.566 -14.442 9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.578 -13.991 7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.664 -13.388 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.980 -15.189 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.501 -15.979 9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.236 -16.054 8.187 1.00 0.00 H new ATOM 168 N LYS A 16 4.347 -14.688 4.210 1.00 0.00 N ATOM 169 CA LYS A 16 3.525 -14.857 3.023 1.00 0.00 C ATOM 170 C LYS A 16 4.104 -14.015 1.884 1.00 0.00 C ATOM 171 O LYS A 16 4.028 -14.405 0.720 1.00 0.00 O ATOM 172 CB LYS A 16 2.061 -14.544 3.337 1.00 0.00 C ATOM 173 CG LYS A 16 1.124 -15.305 2.396 1.00 0.00 C ATOM 174 CD LYS A 16 1.063 -16.788 2.766 1.00 0.00 C ATOM 175 CE LYS A 16 -0.250 -17.417 2.296 1.00 0.00 C ATOM 176 NZ LYS A 16 -0.460 -18.729 2.949 1.00 0.00 N ATOM 0 H LYS A 16 3.996 -14.001 4.877 1.00 0.00 H new ATOM 0 HA LYS A 16 3.541 -15.895 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.841 -14.813 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.886 -13.472 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.124 -14.873 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.469 -15.197 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.904 -17.314 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.159 -16.901 3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.082 -16.752 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.233 -17.542 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.356 -19.142 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.325 -19.367 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.497 -18.601 3.980 1.00 0.00 H new ATOM 190 N PHE A 17 4.668 -12.877 2.259 1.00 0.00 N ATOM 191 CA PHE A 17 5.259 -11.977 1.283 1.00 0.00 C ATOM 192 C PHE A 17 6.729 -12.322 1.039 1.00 0.00 C ATOM 193 O PHE A 17 7.525 -11.451 0.689 1.00 0.00 O ATOM 194 CB PHE A 17 5.168 -10.564 1.864 1.00 0.00 C ATOM 195 CG PHE A 17 3.752 -9.984 1.872 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.780 -10.573 2.619 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.466 -8.880 1.132 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.466 -10.035 2.627 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.152 -8.342 1.140 1.00 0.00 C ATOM 200 CZ PHE A 17 1.180 -8.930 1.887 1.00 0.00 C ATOM 0 H PHE A 17 4.728 -12.557 3.226 1.00 0.00 H new ATOM 0 HA PHE A 17 4.732 -12.061 0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.550 -10.577 2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.817 -9.903 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.008 -11.450 3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.238 -8.413 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.694 -10.503 3.220 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.924 -7.465 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.181 -8.520 1.893 1.00 0.00 H new ATOM 210 N LYS A 18 7.046 -13.594 1.233 1.00 0.00 N ATOM 211 CA LYS A 18 8.406 -14.064 1.038 1.00 0.00 C ATOM 212 C LYS A 18 9.046 -13.297 -0.120 1.00 0.00 C ATOM 213 O LYS A 18 10.155 -13.618 -0.545 1.00 0.00 O ATOM 214 CB LYS A 18 8.427 -15.583 0.855 1.00 0.00 C ATOM 215 CG LYS A 18 9.326 -16.249 1.899 1.00 0.00 C ATOM 216 CD LYS A 18 10.794 -15.885 1.670 1.00 0.00 C ATOM 217 CE LYS A 18 11.451 -16.852 0.683 1.00 0.00 C ATOM 218 NZ LYS A 18 12.783 -17.270 1.175 1.00 0.00 N ATOM 0 H LYS A 18 6.384 -14.313 1.523 1.00 0.00 H new ATOM 0 HA LYS A 18 9.008 -13.864 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.414 -15.977 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.783 -15.827 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.022 -15.937 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.204 -17.331 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.865 -14.866 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.330 -15.908 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.816 -17.728 0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.550 -16.374 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.215 -17.926 0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.391 -16.433 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.680 -17.745 2.095 1.00 0.00 H new ATOM 232 N TYR A 19 8.320 -12.296 -0.598 1.00 0.00 N ATOM 233 CA TYR A 19 8.803 -11.480 -1.699 1.00 0.00 C ATOM 234 C TYR A 19 10.054 -10.697 -1.293 1.00 0.00 C ATOM 235 O TYR A 19 10.028 -9.935 -0.328 1.00 0.00 O ATOM 236 CB TYR A 19 7.679 -10.493 -2.016 1.00 0.00 C ATOM 237 CG TYR A 19 8.168 -9.098 -2.411 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.997 -8.941 -3.503 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.781 -7.997 -1.674 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.458 -7.628 -3.874 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.242 -6.684 -2.045 1.00 0.00 C ATOM 242 CZ TYR A 19 9.058 -6.564 -3.127 1.00 0.00 C ATOM 243 OH TYR A 19 9.493 -5.324 -3.477 1.00 0.00 O ATOM 0 H TYR A 19 7.401 -12.032 -0.243 1.00 0.00 H new ATOM 0 HA TYR A 19 9.065 -12.104 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.073 -10.897 -2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.030 -10.406 -1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.300 -9.803 -4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.133 -8.120 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.107 -7.491 -4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.947 -5.814 -1.477 1.00 0.00 H new ATOM 0 HH TYR A 19 9.127 -4.661 -2.855 1.00 0.00 H new ATOM 253 N ASP A 20 11.119 -10.913 -2.051 1.00 0.00 N ATOM 254 CA ASP A 20 12.377 -10.237 -1.783 1.00 0.00 C ATOM 255 C ASP A 20 12.547 -9.077 -2.766 1.00 0.00 C ATOM 256 O ASP A 20 12.976 -9.278 -3.902 1.00 0.00 O ATOM 257 CB ASP A 20 13.562 -11.187 -1.963 1.00 0.00 C ATOM 258 CG ASP A 20 13.891 -12.049 -0.743 1.00 0.00 C ATOM 259 OD1 ASP A 20 13.243 -13.109 -0.606 1.00 0.00 O ATOM 260 OD2 ASP A 20 14.784 -11.629 0.025 1.00 0.00 O ATOM 0 H ASP A 20 11.137 -11.546 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 20 12.355 -9.879 -0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.357 -11.844 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.443 -10.600 -2.222 1.00 0.00 H new ATOM 265 N GLY A 21 12.203 -7.888 -2.295 1.00 0.00 N ATOM 266 CA GLY A 21 12.312 -6.695 -3.118 1.00 0.00 C ATOM 267 C GLY A 21 12.618 -5.464 -2.262 1.00 0.00 C ATOM 268 O GLY A 21 12.920 -5.588 -1.076 1.00 0.00 O ATOM 0 H GLY A 21 11.848 -7.725 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.099 -6.831 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.382 -6.540 -3.665 1.00 0.00 H new ATOM 272 N GLU A 22 12.530 -4.305 -2.898 1.00 0.00 N ATOM 273 CA GLU A 22 12.793 -3.053 -2.210 1.00 0.00 C ATOM 274 C GLU A 22 11.478 -2.368 -1.831 1.00 0.00 C ATOM 275 O GLU A 22 10.914 -1.618 -2.625 1.00 0.00 O ATOM 276 CB GLU A 22 13.665 -2.131 -3.064 1.00 0.00 C ATOM 277 CG GLU A 22 14.470 -1.170 -2.187 1.00 0.00 C ATOM 278 CD GLU A 22 15.124 -0.074 -3.032 1.00 0.00 C ATOM 279 OE1 GLU A 22 14.640 0.134 -4.165 1.00 0.00 O ATOM 280 OE2 GLU A 22 16.093 0.532 -2.524 1.00 0.00 O ATOM 0 H GLU A 22 12.280 -4.207 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 22 13.342 -3.273 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.344 -2.728 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.037 -1.563 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.816 -0.718 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.237 -1.723 -1.645 1.00 0.00 H new ATOM 287 N ILE A 23 11.029 -2.651 -0.617 1.00 0.00 N ATOM 288 CA ILE A 23 9.791 -2.072 -0.123 1.00 0.00 C ATOM 289 C ILE A 23 9.964 -0.559 0.022 1.00 0.00 C ATOM 290 O ILE A 23 10.650 -0.093 0.930 1.00 0.00 O ATOM 291 CB ILE A 23 9.352 -2.768 1.167 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.048 -3.540 0.956 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.245 -1.768 2.320 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.923 -4.689 1.960 1.00 0.00 C ATOM 0 H ILE A 23 11.500 -3.274 0.039 1.00 0.00 H new ATOM 0 HA ILE A 23 8.983 -2.234 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 23 10.117 -3.495 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.200 -2.864 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.015 -3.934 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.931 -2.288 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.215 -1.301 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.512 -1.001 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.988 -5.222 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.760 -5.376 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.932 -4.289 2.974 1.00 0.00 H new ATOM 306 N ARG A 24 9.328 0.167 -0.886 1.00 0.00 N ATOM 307 CA ARG A 24 9.402 1.618 -0.871 1.00 0.00 C ATOM 308 C ARG A 24 8.166 2.220 -1.542 1.00 0.00 C ATOM 309 O ARG A 24 7.848 1.885 -2.682 1.00 0.00 O ATOM 310 CB ARG A 24 10.657 2.113 -1.593 1.00 0.00 C ATOM 311 CG ARG A 24 10.697 1.603 -3.035 1.00 0.00 C ATOM 312 CD ARG A 24 11.931 2.132 -3.769 1.00 0.00 C ATOM 313 NE ARG A 24 11.893 3.611 -3.822 1.00 0.00 N ATOM 314 CZ ARG A 24 12.847 4.373 -4.397 1.00 0.00 C ATOM 315 NH1 ARG A 24 13.924 3.800 -4.975 1.00 0.00 N ATOM 316 NH2 ARG A 24 12.711 5.686 -4.386 1.00 0.00 N ATOM 0 H ARG A 24 8.759 -0.223 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 24 9.446 1.937 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.678 3.203 -1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.545 1.775 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.706 0.513 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.795 1.916 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.837 1.801 -3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.966 1.724 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 24 11.095 4.084 -3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.021 2.785 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.641 4.382 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.894 6.110 -3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.423 6.276 -4.816 1.00 0.00 H new ATOM 330 N VAL A 25 7.501 3.098 -0.805 1.00 0.00 N ATOM 331 CA VAL A 25 6.306 3.749 -1.314 1.00 0.00 C ATOM 332 C VAL A 25 6.705 4.785 -2.368 1.00 0.00 C ATOM 333 O VAL A 25 7.106 5.897 -2.029 1.00 0.00 O ATOM 334 CB VAL A 25 5.505 4.351 -0.158 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.383 5.263 0.701 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.275 5.101 -0.674 1.00 0.00 C ATOM 0 H VAL A 25 7.767 3.374 0.140 1.00 0.00 H new ATOM 0 HA VAL A 25 5.654 3.024 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 25 5.157 3.531 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.789 5.678 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.212 4.687 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.774 6.074 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.724 5.519 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.592 5.907 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.632 4.412 -1.222 1.00 0.00 H new ATOM 346 N LEU A 26 6.580 4.383 -3.624 1.00 0.00 N ATOM 347 CA LEU A 26 6.922 5.262 -4.729 1.00 0.00 C ATOM 348 C LEU A 26 5.679 6.044 -5.156 1.00 0.00 C ATOM 349 O LEU A 26 5.735 7.262 -5.324 1.00 0.00 O ATOM 350 CB LEU A 26 7.570 4.468 -5.865 1.00 0.00 C ATOM 351 CG LEU A 26 9.095 4.349 -5.816 1.00 0.00 C ATOM 352 CD1 LEU A 26 9.550 2.949 -6.232 1.00 0.00 C ATOM 353 CD2 LEU A 26 9.757 5.441 -6.659 1.00 0.00 C ATOM 0 H LEU A 26 6.246 3.460 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 26 7.668 5.993 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.147 3.463 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.292 4.933 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 26 9.416 4.498 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.638 2.892 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.120 2.211 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.217 2.745 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.840 5.334 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.432 5.348 -7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.470 6.420 -6.276 1.00 0.00 H new ATOM 365 N TYR A 27 4.586 5.313 -5.320 1.00 0.00 N ATOM 366 CA TYR A 27 3.331 5.923 -5.725 1.00 0.00 C ATOM 367 C TYR A 27 2.204 5.551 -4.760 1.00 0.00 C ATOM 368 O TYR A 27 1.492 4.573 -4.979 1.00 0.00 O ATOM 369 CB TYR A 27 3.012 5.353 -7.108 1.00 0.00 C ATOM 370 CG TYR A 27 2.691 3.857 -7.105 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.713 2.932 -7.039 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.379 3.432 -7.167 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.411 1.524 -7.036 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.077 2.024 -7.164 1.00 0.00 C ATOM 375 CZ TYR A 27 2.107 1.140 -7.099 1.00 0.00 C ATOM 376 OH TYR A 27 1.822 -0.190 -7.096 1.00 0.00 O ATOM 0 H TYR A 27 4.544 4.304 -5.180 1.00 0.00 H new ATOM 0 HA TYR A 27 3.417 7.010 -5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.164 5.895 -7.527 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.861 5.531 -7.768 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.739 3.264 -6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.579 4.156 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.201 0.790 -6.985 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.055 1.678 -7.212 1.00 0.00 H new ATOM 0 HH TYR A 27 2.353 -0.637 -6.404 1.00 0.00 H new ATOM 386 N SER A 28 2.078 6.351 -3.711 1.00 0.00 N ATOM 387 CA SER A 28 1.049 6.118 -2.712 1.00 0.00 C ATOM 388 C SER A 28 -0.326 6.466 -3.285 1.00 0.00 C ATOM 389 O SER A 28 -0.622 7.635 -3.531 1.00 0.00 O ATOM 390 CB SER A 28 1.318 6.933 -1.445 1.00 0.00 C ATOM 391 OG SER A 28 1.318 8.335 -1.701 1.00 0.00 O ATOM 0 H SER A 28 2.671 7.161 -3.531 1.00 0.00 H new ATOM 0 HA SER A 28 1.066 5.062 -2.443 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.560 6.701 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.280 6.641 -1.024 1.00 0.00 H new ATOM 0 HG SER A 28 0.699 8.534 -2.434 1.00 0.00 H new ATOM 397 N THR A 29 -1.129 5.431 -3.480 1.00 0.00 N ATOM 398 CA THR A 29 -2.466 5.613 -4.020 1.00 0.00 C ATOM 399 C THR A 29 -3.470 5.843 -2.889 1.00 0.00 C ATOM 400 O THR A 29 -3.216 5.476 -1.743 1.00 0.00 O ATOM 401 CB THR A 29 -2.795 4.396 -4.887 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.795 4.869 -5.785 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.498 3.288 -4.098 1.00 0.00 C ATOM 0 H THR A 29 -0.880 4.464 -3.274 1.00 0.00 H new ATOM 0 HA THR A 29 -2.522 6.502 -4.648 1.00 0.00 H new ATOM 0 HB THR A 29 -1.877 4.004 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.794 4.318 -6.595 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.709 2.448 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.854 2.956 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.433 3.670 -3.688 1.00 0.00 H new ATOM 411 N LYS A 30 -4.591 6.450 -3.251 1.00 0.00 N ATOM 412 CA LYS A 30 -5.635 6.734 -2.282 1.00 0.00 C ATOM 413 C LYS A 30 -6.776 5.730 -2.458 1.00 0.00 C ATOM 414 O LYS A 30 -7.172 5.426 -3.582 1.00 0.00 O ATOM 415 CB LYS A 30 -6.080 8.194 -2.385 1.00 0.00 C ATOM 416 CG LYS A 30 -7.220 8.491 -1.408 1.00 0.00 C ATOM 417 CD LYS A 30 -8.452 9.018 -2.147 1.00 0.00 C ATOM 418 CE LYS A 30 -9.399 9.740 -1.187 1.00 0.00 C ATOM 419 NZ LYS A 30 -10.005 10.919 -1.845 1.00 0.00 N ATOM 0 H LYS A 30 -4.799 6.753 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.255 6.611 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.236 8.851 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.404 8.408 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.480 7.585 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.891 9.225 -0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.142 9.700 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.975 8.190 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.182 9.057 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.854 10.053 -0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.645 11.397 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.255 11.577 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.542 10.612 -2.681 1.00 0.00 H new ATOM 433 N VAL A 31 -7.273 5.243 -1.331 1.00 0.00 N ATOM 434 CA VAL A 31 -8.360 4.279 -1.347 1.00 0.00 C ATOM 435 C VAL A 31 -9.662 4.992 -1.717 1.00 0.00 C ATOM 436 O VAL A 31 -9.867 6.149 -1.352 1.00 0.00 O ATOM 437 CB VAL A 31 -8.438 3.555 -0.001 1.00 0.00 C ATOM 438 CG1 VAL A 31 -9.074 2.173 -0.158 1.00 0.00 C ATOM 439 CG2 VAL A 31 -7.055 3.452 0.646 1.00 0.00 C ATOM 0 H VAL A 31 -6.943 5.498 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.181 3.514 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.075 4.143 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.117 1.680 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.083 2.280 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.475 1.573 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.138 2.933 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.386 2.897 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.655 4.452 0.810 1.00 0.00 H new ATOM 449 N THR A 32 -10.509 4.272 -2.439 1.00 0.00 N ATOM 450 CA THR A 32 -11.785 4.822 -2.863 1.00 0.00 C ATOM 451 C THR A 32 -12.888 4.434 -1.876 1.00 0.00 C ATOM 452 O THR A 32 -12.633 3.726 -0.902 1.00 0.00 O ATOM 453 CB THR A 32 -12.054 4.344 -4.292 1.00 0.00 C ATOM 454 OG1 THR A 32 -12.987 5.291 -4.805 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.812 3.015 -4.332 1.00 0.00 C ATOM 0 H THR A 32 -10.336 3.313 -2.741 1.00 0.00 H new ATOM 0 HA THR A 32 -11.764 5.912 -2.867 1.00 0.00 H new ATOM 0 HB THR A 32 -11.108 4.239 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.215 5.058 -5.729 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.977 2.721 -5.369 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.227 2.247 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.773 3.129 -3.830 1.00 0.00 H new ATOM 463 N THR A 33 -14.089 4.915 -2.160 1.00 0.00 N ATOM 464 CA THR A 33 -15.231 4.628 -1.309 1.00 0.00 C ATOM 465 C THR A 33 -15.789 3.237 -1.617 1.00 0.00 C ATOM 466 O THR A 33 -16.426 2.618 -0.767 1.00 0.00 O ATOM 467 CB THR A 33 -16.255 5.749 -1.498 1.00 0.00 C ATOM 468 OG1 THR A 33 -17.156 5.583 -0.407 1.00 0.00 O ATOM 469 CG2 THR A 33 -17.128 5.543 -2.737 1.00 0.00 C ATOM 0 H THR A 33 -14.296 5.502 -2.968 1.00 0.00 H new ATOM 0 HA THR A 33 -14.945 4.604 -0.258 1.00 0.00 H new ATOM 0 HB THR A 33 -15.736 6.705 -1.575 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.853 6.271 -0.451 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.837 6.367 -2.824 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.497 5.512 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.673 4.603 -2.646 1.00 0.00 H new ATOM 477 N SER A 34 -15.530 2.787 -2.836 1.00 0.00 N ATOM 478 CA SER A 34 -15.998 1.481 -3.267 1.00 0.00 C ATOM 479 C SER A 34 -14.931 0.422 -2.984 1.00 0.00 C ATOM 480 O SER A 34 -15.003 -0.691 -3.502 1.00 0.00 O ATOM 481 CB SER A 34 -16.358 1.488 -4.754 1.00 0.00 C ATOM 482 OG SER A 34 -16.595 0.174 -5.252 1.00 0.00 O ATOM 0 H SER A 34 -15.002 3.304 -3.539 1.00 0.00 H new ATOM 0 HA SER A 34 -16.899 1.238 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.246 2.100 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.550 1.950 -5.321 1.00 0.00 H new ATOM 0 HG SER A 34 -16.186 -0.483 -4.650 1.00 0.00 H new ATOM 488 N ILE A 35 -13.965 0.807 -2.163 1.00 0.00 N ATOM 489 CA ILE A 35 -12.883 -0.095 -1.805 1.00 0.00 C ATOM 490 C ILE A 35 -13.427 -1.203 -0.901 1.00 0.00 C ATOM 491 O ILE A 35 -14.580 -1.151 -0.474 1.00 0.00 O ATOM 492 CB ILE A 35 -11.718 0.682 -1.191 1.00 0.00 C ATOM 493 CG1 ILE A 35 -10.393 0.300 -1.855 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.673 0.496 0.327 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.536 -0.552 -0.917 1.00 0.00 C ATOM 0 H ILE A 35 -13.909 1.731 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.480 -0.578 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.879 1.743 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.589 -0.250 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.848 1.202 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.835 1.059 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.603 0.857 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.549 -0.561 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.600 -0.810 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.322 0.010 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.074 -1.465 -0.661 1.00 0.00 H new ATOM 507 N THR A 36 -12.573 -2.181 -0.636 1.00 0.00 N ATOM 508 CA THR A 36 -12.953 -3.299 0.209 1.00 0.00 C ATOM 509 C THR A 36 -13.125 -2.839 1.658 1.00 0.00 C ATOM 510 O THR A 36 -12.171 -2.378 2.284 1.00 0.00 O ATOM 511 CB THR A 36 -11.902 -4.398 0.041 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.297 -5.402 0.972 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.518 -3.963 0.526 1.00 0.00 C ATOM 0 H THR A 36 -11.618 -2.222 -0.992 1.00 0.00 H new ATOM 0 HA THR A 36 -13.920 -3.706 -0.086 1.00 0.00 H new ATOM 0 HB THR A 36 -11.844 -4.688 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.602 -5.507 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.810 -4.779 0.384 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.189 -3.094 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.568 -3.705 1.584 1.00 0.00 H new ATOM 521 N SER A 37 -14.347 -2.979 2.149 1.00 0.00 N ATOM 522 CA SER A 37 -14.655 -2.583 3.513 1.00 0.00 C ATOM 523 C SER A 37 -15.113 -3.800 4.320 1.00 0.00 C ATOM 524 O SER A 37 -14.933 -3.846 5.536 1.00 0.00 O ATOM 525 CB SER A 37 -15.729 -1.493 3.541 1.00 0.00 C ATOM 526 OG SER A 37 -16.322 -1.296 2.260 1.00 0.00 O ATOM 0 H SER A 37 -15.136 -3.361 1.627 1.00 0.00 H new ATOM 0 HA SER A 37 -13.750 -2.175 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.502 -1.764 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.287 -0.557 3.884 1.00 0.00 H new ATOM 0 HG SER A 37 -17.106 -0.715 2.348 1.00 0.00 H new ATOM 532 N LYS A 38 -15.697 -4.755 3.611 1.00 0.00 N ATOM 533 CA LYS A 38 -16.183 -5.968 4.247 1.00 0.00 C ATOM 534 C LYS A 38 -15.209 -7.113 3.960 1.00 0.00 C ATOM 535 O LYS A 38 -14.828 -7.851 4.867 1.00 0.00 O ATOM 536 CB LYS A 38 -17.621 -6.260 3.815 1.00 0.00 C ATOM 537 CG LYS A 38 -17.650 -7.148 2.569 1.00 0.00 C ATOM 538 CD LYS A 38 -19.084 -7.541 2.209 1.00 0.00 C ATOM 539 CE LYS A 38 -19.126 -8.308 0.885 1.00 0.00 C ATOM 540 NZ LYS A 38 -18.558 -9.665 1.054 1.00 0.00 N ATOM 0 H LYS A 38 -15.845 -4.713 2.603 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.220 -5.843 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.156 -6.751 4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.140 -5.324 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.193 -6.621 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.056 -8.045 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.507 -8.156 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.702 -6.647 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.155 -8.379 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.565 -7.764 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.264 -10.036 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.734 -9.620 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.277 -10.293 1.466 1.00 0.00 H new ATOM 554 N LYS A 39 -14.835 -7.226 2.694 1.00 0.00 N ATOM 555 CA LYS A 39 -13.914 -8.269 2.276 1.00 0.00 C ATOM 556 C LYS A 39 -12.535 -7.998 2.881 1.00 0.00 C ATOM 557 O LYS A 39 -11.964 -6.927 2.679 1.00 0.00 O ATOM 558 CB LYS A 39 -13.902 -8.394 0.751 1.00 0.00 C ATOM 559 CG LYS A 39 -13.814 -9.860 0.321 1.00 0.00 C ATOM 560 CD LYS A 39 -15.207 -10.448 0.090 1.00 0.00 C ATOM 561 CE LYS A 39 -15.765 -10.018 -1.268 1.00 0.00 C ATOM 562 NZ LYS A 39 -15.905 -11.187 -2.165 1.00 0.00 N ATOM 0 H LYS A 39 -15.153 -6.612 1.944 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.242 -9.239 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.805 -7.944 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.056 -7.841 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.225 -9.940 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.294 -10.437 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.159 -11.536 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.880 -10.122 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.734 -9.537 -1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.103 -9.281 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.285 -10.877 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.974 -11.629 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.554 -11.877 -1.737 1.00 0.00 H new ATOM 576 N TRP A 40 -12.040 -8.986 3.612 1.00 0.00 N ATOM 577 CA TRP A 40 -10.739 -8.868 4.248 1.00 0.00 C ATOM 578 C TRP A 40 -10.064 -10.240 4.202 1.00 0.00 C ATOM 579 O TRP A 40 -10.667 -11.245 4.575 1.00 0.00 O ATOM 580 CB TRP A 40 -10.872 -8.314 5.668 1.00 0.00 C ATOM 581 CG TRP A 40 -11.371 -6.869 5.728 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.294 -6.348 6.549 1.00 0.00 C ATOM 583 CD2 TRP A 40 -10.934 -5.773 4.897 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.482 -5.002 6.308 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.629 -4.641 5.272 1.00 0.00 C ATOM 586 CE3 TRP A 40 -9.982 -5.738 3.863 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.447 -3.393 4.665 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.811 -4.483 3.266 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.504 -3.335 3.632 1.00 0.00 C ATOM 0 H TRP A 40 -12.517 -9.872 3.778 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.112 -8.154 3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.557 -8.948 6.232 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -9.902 -8.374 6.163 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -12.824 -6.910 7.304 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.129 -4.385 6.800 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.426 -6.611 3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.004 -2.522 4.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.091 -4.401 2.466 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.316 -2.402 3.122 1.00 0.00 H new ATOM 600 N GLY A 41 -8.821 -10.237 3.742 1.00 0.00 N ATOM 601 CA GLY A 41 -8.058 -11.469 3.642 1.00 0.00 C ATOM 602 C GLY A 41 -6.811 -11.415 4.528 1.00 0.00 C ATOM 603 O GLY A 41 -6.359 -10.334 4.903 1.00 0.00 O ATOM 0 H GLY A 41 -8.324 -9.401 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.682 -12.312 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.765 -11.637 2.606 1.00 0.00 H new ATOM 607 N THR A 42 -6.291 -12.594 4.836 1.00 0.00 N ATOM 608 CA THR A 42 -5.106 -12.694 5.670 1.00 0.00 C ATOM 609 C THR A 42 -3.955 -11.892 5.059 1.00 0.00 C ATOM 610 O THR A 42 -3.157 -11.296 5.781 1.00 0.00 O ATOM 611 CB THR A 42 -4.782 -14.177 5.855 1.00 0.00 C ATOM 612 OG1 THR A 42 -5.452 -14.531 7.062 1.00 0.00 O ATOM 613 CG2 THR A 42 -3.303 -14.420 6.165 1.00 0.00 C ATOM 0 H THR A 42 -6.669 -13.488 4.523 1.00 0.00 H new ATOM 0 HA THR A 42 -5.277 -12.259 6.655 1.00 0.00 H new ATOM 0 HB THR A 42 -5.058 -14.723 4.953 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.296 -15.479 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.128 -15.489 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.693 -14.043 5.344 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.034 -13.901 7.085 1.00 0.00 H new ATOM 621 N ARG A 43 -3.905 -11.903 3.735 1.00 0.00 N ATOM 622 CA ARG A 43 -2.865 -11.185 3.019 1.00 0.00 C ATOM 623 C ARG A 43 -3.379 -9.816 2.569 1.00 0.00 C ATOM 624 O ARG A 43 -2.698 -9.104 1.832 1.00 0.00 O ATOM 625 CB ARG A 43 -2.394 -11.973 1.795 1.00 0.00 C ATOM 626 CG ARG A 43 -1.168 -12.824 2.130 1.00 0.00 C ATOM 627 CD ARG A 43 -0.400 -13.203 0.861 1.00 0.00 C ATOM 628 NE ARG A 43 -0.854 -14.524 0.371 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.147 -15.300 -0.478 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.055 -14.893 -0.938 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.649 -16.462 -0.851 1.00 0.00 N ATOM 0 H ARG A 43 -4.569 -12.398 3.139 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.023 -11.055 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.200 -12.614 1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.153 -11.284 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.513 -12.274 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.480 -13.727 2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.557 -12.447 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.670 -13.231 1.068 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.757 -14.870 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.435 -13.993 -0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.583 -15.485 -1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.558 -16.762 -0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.128 -17.061 -1.492 1.00 0.00 H new ATOM 645 N ASP A 44 -4.577 -9.488 3.031 1.00 0.00 N ATOM 646 CA ASP A 44 -5.190 -8.217 2.685 1.00 0.00 C ATOM 647 C ASP A 44 -5.098 -7.269 3.882 1.00 0.00 C ATOM 648 O ASP A 44 -4.877 -7.707 5.010 1.00 0.00 O ATOM 649 CB ASP A 44 -6.669 -8.396 2.336 1.00 0.00 C ATOM 650 CG ASP A 44 -7.102 -7.761 1.013 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.205 -7.530 0.174 1.00 0.00 O ATOM 652 OD2 ASP A 44 -8.321 -7.522 0.871 1.00 0.00 O ATOM 0 H ASP A 44 -5.139 -10.081 3.642 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.662 -7.812 1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.892 -9.462 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.271 -7.971 3.140 1.00 0.00 H new ATOM 657 N LEU A 45 -5.273 -5.987 3.596 1.00 0.00 N ATOM 658 CA LEU A 45 -5.212 -4.973 4.635 1.00 0.00 C ATOM 659 C LEU A 45 -6.632 -4.637 5.097 1.00 0.00 C ATOM 660 O LEU A 45 -7.585 -4.769 4.331 1.00 0.00 O ATOM 661 CB LEU A 45 -4.418 -3.758 4.152 1.00 0.00 C ATOM 662 CG LEU A 45 -3.492 -3.109 5.183 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.314 -4.026 5.515 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.029 -1.729 4.712 1.00 0.00 C ATOM 0 H LEU A 45 -5.457 -5.627 2.659 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.674 -5.350 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.818 -4.059 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.123 -3.004 3.801 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.056 -2.962 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.671 -3.541 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.688 -4.965 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.742 -4.226 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.372 -1.290 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.489 -1.828 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.896 -1.084 4.566 1.00 0.00 H new ATOM 676 N GLN A 46 -6.727 -4.208 6.347 1.00 0.00 N ATOM 677 CA GLN A 46 -8.014 -3.851 6.919 1.00 0.00 C ATOM 678 C GLN A 46 -8.325 -2.377 6.651 1.00 0.00 C ATOM 679 O GLN A 46 -8.987 -1.722 7.454 1.00 0.00 O ATOM 680 CB GLN A 46 -8.051 -4.155 8.418 1.00 0.00 C ATOM 681 CG GLN A 46 -9.337 -3.625 9.054 1.00 0.00 C ATOM 682 CD GLN A 46 -9.778 -4.512 10.220 1.00 0.00 C ATOM 683 OE1 GLN A 46 -9.650 -4.163 11.382 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.304 -5.675 9.846 1.00 0.00 N ATOM 0 H GLN A 46 -5.934 -4.100 6.979 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.783 -4.457 6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.980 -5.231 8.576 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.187 -3.703 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.179 -2.606 9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.127 -3.584 8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.382 -5.904 8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.630 -6.337 10.550 1.00 0.00 H new ATOM 693 N VAL A 47 -7.832 -1.899 5.517 1.00 0.00 N ATOM 694 CA VAL A 47 -8.049 -0.514 5.133 1.00 0.00 C ATOM 695 C VAL A 47 -9.544 -0.279 4.913 1.00 0.00 C ATOM 696 O VAL A 47 -10.305 -1.227 4.728 1.00 0.00 O ATOM 697 CB VAL A 47 -7.203 -0.174 3.904 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.710 -0.278 4.220 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.576 -1.066 2.718 1.00 0.00 C ATOM 0 H VAL A 47 -7.284 -2.445 4.853 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.728 0.158 5.929 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.415 0.859 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.132 -0.031 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.458 0.418 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.475 -1.295 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.960 -0.804 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.407 -2.110 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.627 -0.920 2.470 1.00 0.00 H new ATOM 709 N LYS A 48 -9.921 0.991 4.942 1.00 0.00 N ATOM 710 CA LYS A 48 -11.312 1.364 4.748 1.00 0.00 C ATOM 711 C LYS A 48 -11.449 2.144 3.439 1.00 0.00 C ATOM 712 O LYS A 48 -10.475 2.706 2.942 1.00 0.00 O ATOM 713 CB LYS A 48 -11.840 2.117 5.971 1.00 0.00 C ATOM 714 CG LYS A 48 -12.645 1.187 6.881 1.00 0.00 C ATOM 715 CD LYS A 48 -11.719 0.301 7.717 1.00 0.00 C ATOM 716 CE LYS A 48 -11.030 1.112 8.817 1.00 0.00 C ATOM 717 NZ LYS A 48 -11.418 0.607 10.153 1.00 0.00 N ATOM 0 H LYS A 48 -9.287 1.775 5.097 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.936 0.475 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.006 2.544 6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.467 2.948 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.281 1.778 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.304 0.563 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.293 -0.511 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.968 -0.156 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.948 1.051 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.302 2.164 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.942 1.168 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.448 0.688 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.137 -0.390 10.242 1.00 0.00 H new ATOM 731 N PRO A 49 -12.700 2.153 2.904 1.00 0.00 N ATOM 732 CA PRO A 49 -12.977 2.855 1.662 1.00 0.00 C ATOM 733 C PRO A 49 -13.024 4.368 1.886 1.00 0.00 C ATOM 734 O PRO A 49 -13.778 4.851 2.730 1.00 0.00 O ATOM 735 CB PRO A 49 -14.299 2.285 1.175 1.00 0.00 C ATOM 736 CG PRO A 49 -14.941 1.628 2.386 1.00 0.00 C ATOM 737 CD PRO A 49 -13.878 1.498 3.464 1.00 0.00 C ATOM 0 HA PRO A 49 -12.197 2.711 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.938 3.071 0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.141 1.561 0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.778 2.226 2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.339 0.648 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.194 1.976 4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.676 0.453 3.697 1.00 0.00 H new ATOM 745 N GLY A 50 -12.209 5.073 1.115 1.00 0.00 N ATOM 746 CA GLY A 50 -12.149 6.521 1.219 1.00 0.00 C ATOM 747 C GLY A 50 -10.935 6.962 2.040 1.00 0.00 C ATOM 748 O GLY A 50 -10.840 8.121 2.440 1.00 0.00 O ATOM 0 H GLY A 50 -11.585 4.669 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.097 6.959 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.062 6.894 1.684 1.00 0.00 H new ATOM 752 N GLU A 51 -10.038 6.014 2.266 1.00 0.00 N ATOM 753 CA GLU A 51 -8.834 6.290 3.031 1.00 0.00 C ATOM 754 C GLU A 51 -7.625 6.395 2.100 1.00 0.00 C ATOM 755 O GLU A 51 -7.728 6.107 0.908 1.00 0.00 O ATOM 756 CB GLU A 51 -8.609 5.221 4.103 1.00 0.00 C ATOM 757 CG GLU A 51 -8.939 5.762 5.495 1.00 0.00 C ATOM 758 CD GLU A 51 -10.400 5.488 5.858 1.00 0.00 C ATOM 759 OE1 GLU A 51 -11.263 5.796 5.007 1.00 0.00 O ATOM 760 OE2 GLU A 51 -10.621 4.977 6.977 1.00 0.00 O ATOM 0 H GLU A 51 -10.121 5.054 1.933 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.961 7.246 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.231 4.351 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.572 4.886 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.284 5.299 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.748 6.835 5.527 1.00 0.00 H new ATOM 767 N SER A 52 -6.507 6.809 2.678 1.00 0.00 N ATOM 768 CA SER A 52 -5.280 6.957 1.915 1.00 0.00 C ATOM 769 C SER A 52 -4.128 6.252 2.634 1.00 0.00 C ATOM 770 O SER A 52 -3.914 6.464 3.826 1.00 0.00 O ATOM 771 CB SER A 52 -4.943 8.432 1.693 1.00 0.00 C ATOM 772 OG SER A 52 -5.470 9.261 2.725 1.00 0.00 O ATOM 0 H SER A 52 -6.426 7.047 3.667 1.00 0.00 H new ATOM 0 HA SER A 52 -5.428 6.495 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.861 8.554 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.341 8.754 0.731 1.00 0.00 H new ATOM 0 HG SER A 52 -5.232 10.195 2.548 1.00 0.00 H new ATOM 778 N LEU A 53 -3.417 5.427 1.879 1.00 0.00 N ATOM 779 CA LEU A 53 -2.292 4.690 2.429 1.00 0.00 C ATOM 780 C LEU A 53 -1.154 4.665 1.407 1.00 0.00 C ATOM 781 O LEU A 53 -1.359 4.986 0.237 1.00 0.00 O ATOM 782 CB LEU A 53 -2.737 3.300 2.889 1.00 0.00 C ATOM 783 CG LEU A 53 -1.652 2.422 3.516 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.108 3.054 4.799 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.165 1.000 3.751 1.00 0.00 C ATOM 0 H LEU A 53 -3.598 5.253 0.891 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.909 5.188 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.543 3.419 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.154 2.771 2.032 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.821 2.353 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.339 2.410 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.679 4.030 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.919 3.174 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.374 0.397 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.022 1.029 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.464 0.559 2.800 1.00 0.00 H new ATOM 797 N GLU A 54 0.020 4.281 1.885 1.00 0.00 N ATOM 798 CA GLU A 54 1.191 4.210 1.027 1.00 0.00 C ATOM 799 C GLU A 54 1.138 2.951 0.160 1.00 0.00 C ATOM 800 O GLU A 54 0.862 1.861 0.659 1.00 0.00 O ATOM 801 CB GLU A 54 2.478 4.255 1.852 1.00 0.00 C ATOM 802 CG GLU A 54 3.123 5.641 1.789 1.00 0.00 C ATOM 803 CD GLU A 54 2.782 6.461 3.036 1.00 0.00 C ATOM 804 OE1 GLU A 54 2.999 5.925 4.144 1.00 0.00 O ATOM 805 OE2 GLU A 54 2.313 7.605 2.851 1.00 0.00 O ATOM 0 H GLU A 54 0.186 4.016 2.856 1.00 0.00 H new ATOM 0 HA GLU A 54 1.190 5.080 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.259 3.999 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.178 3.507 1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.205 5.539 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.779 6.166 0.898 1.00 0.00 H new ATOM 812 N VAL A 55 1.406 3.142 -1.123 1.00 0.00 N ATOM 813 CA VAL A 55 1.393 2.035 -2.064 1.00 0.00 C ATOM 814 C VAL A 55 2.832 1.623 -2.380 1.00 0.00 C ATOM 815 O VAL A 55 3.668 2.467 -2.698 1.00 0.00 O ATOM 816 CB VAL A 55 0.593 2.418 -3.311 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.139 1.708 -4.551 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.895 2.122 -3.120 1.00 0.00 C ATOM 0 H VAL A 55 1.634 4.048 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 55 0.895 1.169 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 55 0.703 3.492 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.553 1.997 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.181 1.991 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.073 0.629 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.441 2.403 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.033 1.058 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.274 2.694 -2.273 1.00 0.00 H new ATOM 828 N ILE A 56 3.077 0.325 -2.281 1.00 0.00 N ATOM 829 CA ILE A 56 4.401 -0.210 -2.552 1.00 0.00 C ATOM 830 C ILE A 56 4.488 -0.621 -4.023 1.00 0.00 C ATOM 831 O ILE A 56 4.014 0.098 -4.902 1.00 0.00 O ATOM 832 CB ILE A 56 4.732 -1.342 -1.577 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.408 -0.937 -0.137 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.186 -1.792 -1.733 1.00 0.00 C ATOM 835 CD1 ILE A 56 5.040 -1.909 0.861 1.00 0.00 C ATOM 0 H ILE A 56 2.381 -0.372 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 56 5.161 0.553 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 56 4.102 -2.198 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.774 0.072 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.327 -0.916 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.395 -2.597 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.350 -2.148 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.851 -0.952 -1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.795 -1.598 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.654 -2.913 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.122 -1.909 0.733 1.00 0.00 H new ATOM 847 N GLN A 57 5.098 -1.776 -4.247 1.00 0.00 N ATOM 848 CA GLN A 57 5.253 -2.292 -5.596 1.00 0.00 C ATOM 849 C GLN A 57 4.114 -3.257 -5.931 1.00 0.00 C ATOM 850 O GLN A 57 3.493 -3.824 -5.033 1.00 0.00 O ATOM 851 CB GLN A 57 6.614 -2.968 -5.771 1.00 0.00 C ATOM 852 CG GLN A 57 7.739 -1.933 -5.819 1.00 0.00 C ATOM 853 CD GLN A 57 7.590 -1.017 -7.036 1.00 0.00 C ATOM 854 OE1 GLN A 57 7.114 0.103 -6.948 1.00 0.00 O ATOM 855 NE2 GLN A 57 8.023 -1.553 -8.173 1.00 0.00 N ATOM 0 H GLN A 57 5.491 -2.369 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 57 5.208 -1.454 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.788 -3.661 -4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.617 -3.556 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.728 -1.336 -4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.703 -2.440 -5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.411 -2.496 -8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.967 -1.021 -9.041 1.00 0.00 H new ATOM 864 N THR A 58 3.874 -3.413 -7.224 1.00 0.00 N ATOM 865 CA THR A 58 2.821 -4.300 -7.688 1.00 0.00 C ATOM 866 C THR A 58 3.173 -5.756 -7.376 1.00 0.00 C ATOM 867 O THR A 58 4.218 -6.249 -7.796 1.00 0.00 O ATOM 868 CB THR A 58 2.601 -4.034 -9.179 1.00 0.00 C ATOM 869 OG1 THR A 58 3.917 -3.853 -9.697 1.00 0.00 O ATOM 870 CG2 THR A 58 1.910 -2.694 -9.440 1.00 0.00 C ATOM 0 H THR A 58 4.391 -2.940 -7.965 1.00 0.00 H new ATOM 0 HA THR A 58 1.883 -4.107 -7.167 1.00 0.00 H new ATOM 0 HB THR A 58 2.004 -4.839 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.868 -3.677 -10.660 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.778 -2.555 -10.513 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.936 -2.686 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.523 -1.885 -9.042 1.00 0.00 H new ATOM 878 N THR A 59 2.280 -6.402 -6.641 1.00 0.00 N ATOM 879 CA THR A 59 2.483 -7.792 -6.268 1.00 0.00 C ATOM 880 C THR A 59 2.723 -8.649 -7.512 1.00 0.00 C ATOM 881 O THR A 59 3.852 -9.059 -7.779 1.00 0.00 O ATOM 882 CB THR A 59 1.275 -8.241 -5.444 1.00 0.00 C ATOM 883 OG1 THR A 59 1.567 -7.791 -4.124 1.00 0.00 O ATOM 884 CG2 THR A 59 1.192 -9.763 -5.308 1.00 0.00 C ATOM 0 H THR A 59 1.414 -5.989 -6.294 1.00 0.00 H new ATOM 0 HA THR A 59 3.376 -7.911 -5.654 1.00 0.00 H new ATOM 0 HB THR A 59 0.362 -7.867 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.132 -8.381 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.317 -10.028 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.109 -10.213 -6.297 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.091 -10.134 -4.815 1.00 0.00 H new ATOM 892 N ASP A 60 1.644 -8.894 -8.240 1.00 0.00 N ATOM 893 CA ASP A 60 1.723 -9.695 -9.450 1.00 0.00 C ATOM 894 C ASP A 60 1.628 -8.778 -10.670 1.00 0.00 C ATOM 895 O ASP A 60 2.640 -8.272 -11.152 1.00 0.00 O ATOM 896 CB ASP A 60 0.570 -10.699 -9.522 1.00 0.00 C ATOM 897 CG ASP A 60 0.327 -11.306 -10.905 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.179 -12.118 -11.326 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.705 -10.944 -11.510 1.00 0.00 O ATOM 0 H ASP A 60 0.710 -8.552 -8.015 1.00 0.00 H new ATOM 0 HA ASP A 60 2.670 -10.234 -9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.767 -11.507 -8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.344 -10.204 -9.193 1.00 0.00 H new ATOM 904 N ASP A 61 0.401 -8.591 -11.136 1.00 0.00 N ATOM 905 CA ASP A 61 0.161 -7.743 -12.292 1.00 0.00 C ATOM 906 C ASP A 61 -0.727 -6.567 -11.880 1.00 0.00 C ATOM 907 O ASP A 61 -0.351 -5.409 -12.058 1.00 0.00 O ATOM 908 CB ASP A 61 -0.559 -8.514 -13.400 1.00 0.00 C ATOM 909 CG ASP A 61 0.184 -9.747 -13.918 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.349 -9.925 -13.500 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.429 -10.484 -14.721 1.00 0.00 O ATOM 0 H ASP A 61 -0.437 -9.012 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 61 1.126 -7.396 -12.662 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.535 -8.826 -13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.737 -7.838 -14.236 1.00 0.00 H new ATOM 916 N THR A 62 -1.888 -6.905 -11.338 1.00 0.00 N ATOM 917 CA THR A 62 -2.832 -5.891 -10.900 1.00 0.00 C ATOM 918 C THR A 62 -3.060 -5.991 -9.391 1.00 0.00 C ATOM 919 O THR A 62 -4.139 -6.379 -8.946 1.00 0.00 O ATOM 920 CB THR A 62 -4.114 -6.053 -11.720 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.662 -6.551 -12.976 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.763 -4.711 -12.063 1.00 0.00 C ATOM 0 H THR A 62 -2.196 -7.866 -11.192 1.00 0.00 H new ATOM 0 HA THR A 62 -2.443 -4.888 -11.073 1.00 0.00 H new ATOM 0 HB THR A 62 -4.823 -6.668 -11.167 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.430 -6.687 -13.570 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.668 -4.883 -12.645 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.017 -4.184 -11.143 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.066 -4.108 -12.645 1.00 0.00 H new ATOM 930 N LYS A 63 -2.025 -5.635 -8.644 1.00 0.00 N ATOM 931 CA LYS A 63 -2.099 -5.680 -7.193 1.00 0.00 C ATOM 932 C LYS A 63 -1.040 -4.745 -6.604 1.00 0.00 C ATOM 933 O LYS A 63 0.129 -4.809 -6.981 1.00 0.00 O ATOM 934 CB LYS A 63 -1.990 -7.123 -6.695 1.00 0.00 C ATOM 935 CG LYS A 63 -2.094 -7.186 -5.170 1.00 0.00 C ATOM 936 CD LYS A 63 -3.332 -7.974 -4.737 1.00 0.00 C ATOM 937 CE LYS A 63 -2.958 -9.397 -4.318 1.00 0.00 C ATOM 938 NZ LYS A 63 -3.944 -9.929 -3.351 1.00 0.00 N ATOM 0 H LYS A 63 -1.131 -5.314 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.069 -5.321 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.780 -7.726 -7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.041 -7.552 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.199 -7.654 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.141 -6.176 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.820 -7.463 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.050 -8.009 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.916 -10.042 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.963 -9.401 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.675 -10.896 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.964 -9.323 -2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.887 -9.943 -3.789 1.00 0.00 H new ATOM 952 N VAL A 64 -1.488 -3.898 -5.689 1.00 0.00 N ATOM 953 CA VAL A 64 -0.595 -2.952 -5.044 1.00 0.00 C ATOM 954 C VAL A 64 -0.609 -3.192 -3.533 1.00 0.00 C ATOM 955 O VAL A 64 -1.672 -3.214 -2.914 1.00 0.00 O ATOM 956 CB VAL A 64 -0.983 -1.522 -5.426 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.210 -1.400 -6.934 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.216 -1.062 -4.646 1.00 0.00 C ATOM 0 H VAL A 64 -2.458 -3.848 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 64 0.429 -3.099 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.154 -0.867 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.485 -0.374 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.295 -1.667 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.013 -2.072 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.471 -0.043 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.054 -1.723 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.003 -1.093 -3.577 1.00 0.00 H new ATOM 968 N LEU A 65 0.584 -3.366 -2.982 1.00 0.00 N ATOM 969 CA LEU A 65 0.722 -3.603 -1.555 1.00 0.00 C ATOM 970 C LEU A 65 0.841 -2.262 -0.829 1.00 0.00 C ATOM 971 O LEU A 65 1.746 -1.477 -1.111 1.00 0.00 O ATOM 972 CB LEU A 65 1.887 -4.557 -1.281 1.00 0.00 C ATOM 973 CG LEU A 65 2.839 -4.146 -0.156 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.322 -4.624 1.202 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.261 -4.639 -0.434 1.00 0.00 C ATOM 0 H LEU A 65 1.463 -3.348 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.166 -4.100 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.478 -5.539 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.466 -4.665 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 65 2.876 -3.057 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.017 -4.319 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.344 -4.184 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.236 -5.711 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.918 -4.334 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.260 -5.726 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.619 -4.209 -1.369 1.00 0.00 H new ATOM 987 N CYS A 66 -0.085 -2.040 0.093 1.00 0.00 N ATOM 988 CA CYS A 66 -0.095 -0.807 0.862 1.00 0.00 C ATOM 989 C CYS A 66 0.674 -1.047 2.163 1.00 0.00 C ATOM 990 O CYS A 66 0.781 -2.182 2.625 1.00 0.00 O ATOM 991 CB CYS A 66 -1.519 -0.315 1.123 1.00 0.00 C ATOM 992 SG CYS A 66 -2.454 -0.241 -0.448 1.00 0.00 S ATOM 0 H CYS A 66 -0.833 -2.693 0.325 1.00 0.00 H new ATOM 0 HA CYS A 66 0.393 -0.016 0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.021 -0.983 1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.493 0.671 1.587 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.663 0.176 -0.214 1.00 0.00 H new ATOM 998 N ARG A 67 1.190 0.041 2.717 1.00 0.00 N ATOM 999 CA ARG A 67 1.945 -0.036 3.955 1.00 0.00 C ATOM 1000 C ARG A 67 1.533 1.094 4.900 1.00 0.00 C ATOM 1001 O ARG A 67 1.257 2.208 4.458 1.00 0.00 O ATOM 1002 CB ARG A 67 3.449 0.053 3.690 1.00 0.00 C ATOM 1003 CG ARG A 67 4.233 -0.815 4.675 1.00 0.00 C ATOM 1004 CD ARG A 67 5.616 -0.220 4.952 1.00 0.00 C ATOM 1005 NE ARG A 67 6.052 -0.568 6.322 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.192 -0.121 6.890 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.023 0.696 6.208 1.00 0.00 N ATOM 1008 NH2 ARG A 67 7.484 -0.496 8.122 1.00 0.00 N ATOM 0 H ARG A 67 1.100 0.981 2.330 1.00 0.00 H new ATOM 0 HA ARG A 67 1.725 -0.999 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.661 -0.267 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.776 1.090 3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.678 -0.903 5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.341 -1.822 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.336 -0.598 4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.585 0.863 4.836 1.00 0.00 H new ATOM 0 HE ARG A 67 5.454 -1.184 6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.791 0.980 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.882 1.029 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.852 -1.115 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.342 -0.167 8.565 1.00 0.00 H new ATOM 1022 N ASN A 68 1.504 0.768 6.184 1.00 0.00 N ATOM 1023 CA ASN A 68 1.130 1.742 7.195 1.00 0.00 C ATOM 1024 C ASN A 68 2.289 1.921 8.179 1.00 0.00 C ATOM 1025 O ASN A 68 3.014 0.971 8.468 1.00 0.00 O ATOM 1026 CB ASN A 68 -0.093 1.274 7.986 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.211 -0.251 7.960 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -1.180 -0.817 7.481 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.826 -0.883 8.502 1.00 0.00 N ATOM 0 H ASN A 68 1.733 -0.157 6.547 1.00 0.00 H new ATOM 0 HA ASN A 68 0.896 2.679 6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.018 1.619 9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.995 1.719 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.842 -1.902 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.605 -0.348 8.885 1.00 0.00 H new ATOM 1036 N GLU A 69 2.426 3.146 8.665 1.00 0.00 N ATOM 1037 CA GLU A 69 3.484 3.461 9.610 1.00 0.00 C ATOM 1038 C GLU A 69 3.432 2.505 10.804 1.00 0.00 C ATOM 1039 O GLU A 69 4.390 2.410 11.569 1.00 0.00 O ATOM 1040 CB GLU A 69 3.393 4.917 10.069 1.00 0.00 C ATOM 1041 CG GLU A 69 4.707 5.657 9.811 1.00 0.00 C ATOM 1042 CD GLU A 69 5.861 5.010 10.580 1.00 0.00 C ATOM 1043 OE1 GLU A 69 6.316 3.938 10.124 1.00 0.00 O ATOM 1044 OE2 GLU A 69 6.262 5.601 11.605 1.00 0.00 O ATOM 0 H GLU A 69 1.822 3.932 8.422 1.00 0.00 H new ATOM 0 HA GLU A 69 4.443 3.332 9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.580 5.418 9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.154 4.953 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.928 5.651 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.606 6.700 10.110 1.00 0.00 H new ATOM 1051 N GLU A 70 2.304 1.822 10.925 1.00 0.00 N ATOM 1052 CA GLU A 70 2.114 0.877 12.012 1.00 0.00 C ATOM 1053 C GLU A 70 3.182 -0.217 11.958 1.00 0.00 C ATOM 1054 O GLU A 70 3.331 -0.992 12.901 1.00 0.00 O ATOM 1055 CB GLU A 70 0.709 0.273 11.975 1.00 0.00 C ATOM 1056 CG GLU A 70 0.270 -0.182 13.369 1.00 0.00 C ATOM 1057 CD GLU A 70 0.121 1.012 14.314 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -0.731 1.874 14.009 1.00 0.00 O ATOM 1059 OE2 GLU A 70 0.863 1.036 15.320 1.00 0.00 O ATOM 0 H GLU A 70 1.512 1.904 10.288 1.00 0.00 H new ATOM 0 HA GLU A 70 2.219 1.413 12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.003 1.009 11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.692 -0.575 11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.678 -0.716 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.001 -0.882 13.774 1.00 0.00 H new ATOM 1066 N GLY A 71 3.898 -0.245 10.843 1.00 0.00 N ATOM 1067 CA GLY A 71 4.948 -1.231 10.653 1.00 0.00 C ATOM 1068 C GLY A 71 4.368 -2.566 10.181 1.00 0.00 C ATOM 1069 O GLY A 71 4.952 -3.621 10.422 1.00 0.00 O ATOM 0 H GLY A 71 3.771 0.399 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.668 -0.864 9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.489 -1.376 11.588 1.00 0.00 H new ATOM 1073 N LYS A 72 3.225 -2.476 9.516 1.00 0.00 N ATOM 1074 CA LYS A 72 2.560 -3.663 9.008 1.00 0.00 C ATOM 1075 C LYS A 72 2.342 -3.515 7.501 1.00 0.00 C ATOM 1076 O LYS A 72 2.118 -2.410 7.008 1.00 0.00 O ATOM 1077 CB LYS A 72 1.273 -3.933 9.791 1.00 0.00 C ATOM 1078 CG LYS A 72 0.274 -4.726 8.947 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.030 -4.958 9.714 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.961 -3.751 9.590 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.437 -2.609 10.372 1.00 0.00 N ATOM 0 H LYS A 72 2.743 -1.599 9.318 1.00 0.00 H new ATOM 0 HA LYS A 72 3.187 -4.543 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.506 -4.486 10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.825 -2.988 10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.065 -4.187 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.710 -5.685 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.529 -5.848 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.810 -5.145 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.060 -3.467 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.957 -4.015 9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.231 -2.043 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.872 -2.964 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.839 -2.016 9.762 1.00 0.00 H new ATOM 1095 N TYR A 73 2.416 -4.644 6.810 1.00 0.00 N ATOM 1096 CA TYR A 73 2.230 -4.653 5.369 1.00 0.00 C ATOM 1097 C TYR A 73 1.033 -5.521 4.977 1.00 0.00 C ATOM 1098 O TYR A 73 0.670 -6.448 5.699 1.00 0.00 O ATOM 1099 CB TYR A 73 3.504 -5.267 4.784 1.00 0.00 C ATOM 1100 CG TYR A 73 4.733 -4.362 4.883 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.339 -4.152 6.105 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.236 -3.755 3.750 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.496 -3.300 6.199 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.394 -2.903 3.844 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.966 -2.718 5.063 1.00 0.00 C ATOM 1106 OH TYR A 73 8.059 -1.913 5.151 1.00 0.00 O ATOM 0 H TYR A 73 2.602 -5.558 7.222 1.00 0.00 H new ATOM 0 HA TYR A 73 2.044 -3.645 4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.713 -6.204 5.300 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.329 -5.512 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.945 -4.627 6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.762 -3.919 2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.979 -3.127 7.149 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.798 -2.422 2.966 1.00 0.00 H new ATOM 0 HH TYR A 73 8.864 -2.464 5.251 1.00 0.00 H new ATOM 1116 N GLY A 74 0.452 -5.189 3.833 1.00 0.00 N ATOM 1117 CA GLY A 74 -0.697 -5.927 3.336 1.00 0.00 C ATOM 1118 C GLY A 74 -0.855 -5.743 1.825 1.00 0.00 C ATOM 1119 O GLY A 74 -0.302 -4.807 1.249 1.00 0.00 O ATOM 0 H GLY A 74 0.755 -4.419 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.581 -6.986 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.600 -5.587 3.844 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.612 -6.650 1.226 1.00 0.00 N ATOM 1124 CA TYR A 75 -1.849 -6.600 -0.206 1.00 0.00 C ATOM 1125 C TYR A 75 -3.243 -6.048 -0.512 1.00 0.00 C ATOM 1126 O TYR A 75 -4.153 -6.163 0.307 1.00 0.00 O ATOM 1127 CB TYR A 75 -1.767 -8.046 -0.698 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.338 -8.565 -0.868 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.597 -7.805 -1.541 1.00 0.00 C ATOM 1130 CD2 TYR A 75 0.017 -9.794 -0.349 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.943 -8.293 -1.701 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.362 -10.282 -0.509 1.00 0.00 C ATOM 1133 CZ TYR A 75 2.258 -9.508 -1.177 1.00 0.00 C ATOM 1134 OH TYR A 75 3.529 -9.969 -1.328 1.00 0.00 O ATOM 0 H TYR A 75 -2.070 -7.424 1.707 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.121 -5.951 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.295 -8.689 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.287 -8.124 -1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.319 -6.844 -1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.714 -10.390 0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.684 -7.708 -2.225 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.653 -11.241 -0.107 1.00 0.00 H new ATOM 0 HH TYR A 75 3.919 -10.149 -0.447 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.366 -5.461 -1.693 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.634 -4.891 -2.117 1.00 0.00 C ATOM 1146 C VAL A 76 -4.933 -5.334 -3.550 1.00 0.00 C ATOM 1147 O VAL A 76 -4.109 -5.153 -4.445 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.603 -3.370 -1.956 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.020 -2.802 -1.848 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -3.756 -2.963 -0.748 1.00 0.00 C ATOM 0 H VAL A 76 -2.609 -5.368 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.446 -5.255 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.139 -2.948 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.970 -1.719 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.580 -3.047 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.521 -3.235 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.751 -1.877 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.178 -3.401 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.735 -3.321 -0.882 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.115 -5.907 -3.724 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.534 -6.377 -5.033 1.00 0.00 C ATOM 1162 C LEU A 77 -6.940 -5.180 -5.895 1.00 0.00 C ATOM 1163 O LEU A 77 -7.530 -4.223 -5.396 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.630 -7.436 -4.897 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.550 -8.614 -5.871 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.900 -9.323 -5.986 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -7.021 -8.163 -7.234 1.00 0.00 C ATOM 0 H LEU A 77 -6.796 -6.056 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.707 -6.871 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.604 -7.828 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.596 -6.949 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.839 -9.338 -5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.815 -10.156 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.198 -9.699 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.650 -8.620 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.974 -9.019 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.688 -7.409 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.024 -7.740 -7.115 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.608 -5.273 -7.175 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.930 -4.209 -8.110 1.00 0.00 C ATOM 1181 C ARG A 78 -8.437 -3.944 -8.113 1.00 0.00 C ATOM 1182 O ARG A 78 -8.879 -2.857 -8.484 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.480 -4.567 -9.528 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.234 -5.791 -10.050 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.994 -5.460 -11.336 1.00 0.00 C ATOM 1186 NE ARG A 78 -9.440 -5.713 -11.149 1.00 0.00 N ATOM 1187 CZ ARG A 78 -10.406 -5.206 -11.944 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -10.088 -4.412 -12.988 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -11.667 -5.498 -11.685 1.00 0.00 N ATOM 0 H ARG A 78 -6.120 -6.069 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.400 -3.313 -7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.651 -3.720 -10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.408 -4.766 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.531 -6.603 -10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.933 -6.143 -9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.831 -4.417 -11.606 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.614 -6.065 -12.159 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.725 -6.308 -10.371 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.111 -4.191 -13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.824 -4.033 -13.584 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.899 -6.099 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.409 -5.123 -12.276 1.00 0.00 H new ATOM 1203 N SER A 79 -9.185 -4.955 -7.696 1.00 0.00 N ATOM 1204 CA SER A 79 -10.633 -4.844 -7.646 1.00 0.00 C ATOM 1205 C SER A 79 -11.034 -3.548 -6.939 1.00 0.00 C ATOM 1206 O SER A 79 -11.719 -2.707 -7.520 1.00 0.00 O ATOM 1207 CB SER A 79 -11.253 -6.050 -6.937 1.00 0.00 C ATOM 1208 OG SER A 79 -12.636 -5.851 -6.658 1.00 0.00 O ATOM 0 H SER A 79 -8.815 -5.855 -7.390 1.00 0.00 H new ATOM 0 HA SER A 79 -11.011 -4.824 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.132 -6.937 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.718 -6.238 -6.006 1.00 0.00 H new ATOM 0 HG SER A 79 -12.996 -6.643 -6.207 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.592 -3.428 -5.696 1.00 0.00 N ATOM 1215 CA TYR A 80 -10.897 -2.249 -4.904 1.00 0.00 C ATOM 1216 C TYR A 80 -9.619 -1.501 -4.519 1.00 0.00 C ATOM 1217 O TYR A 80 -9.124 -1.644 -3.402 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.577 -2.760 -3.632 1.00 0.00 C ATOM 1219 CG TYR A 80 -10.960 -4.042 -3.068 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -9.852 -3.971 -2.249 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.512 -5.268 -3.379 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.271 -5.178 -1.718 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.931 -6.474 -2.848 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.840 -6.369 -2.044 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.291 -7.509 -1.543 1.00 0.00 O ATOM 0 H TYR A 80 -10.025 -4.128 -5.218 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.527 -1.561 -5.468 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.532 -1.982 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.631 -2.939 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.420 -3.011 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.379 -5.323 -4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.404 -5.138 -1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.353 -7.440 -3.083 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.989 -7.350 -0.624 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.120 -0.721 -5.466 1.00 0.00 N ATOM 1236 CA LEU A 81 -7.909 0.050 -5.241 1.00 0.00 C ATOM 1237 C LEU A 81 -7.801 1.145 -6.303 1.00 0.00 C ATOM 1238 O LEU A 81 -8.173 0.935 -7.457 1.00 0.00 O ATOM 1239 CB LEU A 81 -6.690 -0.873 -5.183 1.00 0.00 C ATOM 1240 CG LEU A 81 -5.325 -0.182 -5.193 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -4.832 0.038 -6.624 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.364 1.121 -4.393 1.00 0.00 C ATOM 0 H LEU A 81 -9.533 -0.606 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.949 0.549 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.761 -1.480 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.736 -1.556 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.606 -0.839 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.860 0.531 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.740 -0.924 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.544 0.664 -7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.381 1.592 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.100 1.795 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.639 0.906 -3.360 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.291 2.291 -5.876 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.130 3.420 -6.777 1.00 0.00 C ATOM 1256 C ALA A 82 -6.296 2.988 -7.985 1.00 0.00 C ATOM 1257 O ALA A 82 -5.799 1.864 -8.031 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.498 4.590 -6.021 1.00 0.00 C ATOM 0 H ALA A 82 -6.984 2.462 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.098 3.756 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.377 5.437 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.143 4.877 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.523 4.291 -5.636 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.170 3.904 -8.934 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.406 3.632 -10.140 1.00 0.00 C ATOM 1266 C ASP A 83 -3.991 3.197 -9.754 1.00 0.00 C ATOM 1267 O ASP A 83 -3.611 3.272 -8.586 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.294 4.882 -11.015 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.255 4.926 -12.205 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.191 4.098 -12.209 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -6.031 5.788 -13.083 1.00 0.00 O ATOM 0 H ASP A 83 -6.584 4.835 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.921 2.848 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.469 5.760 -10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.273 4.955 -11.389 1.00 0.00 H new