USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -22:sc= 0.0871 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0672 X(o=-0.067,f=-0.41) USER MOD Single : A 30 ASN : amide:sc= -2.59! C(o=-2.6!,f=-7.5!) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= 0.998 (180deg=0.696) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -107:sc= 0.867 (180deg=-0.055) USER MOD Single : A 79 THR OG1 : rot 180:sc=0.000914 USER MOD Single : A 81 CYS SG : rot 46:sc= -0.12 USER MOD Single : A 86 MET CE :methyl 168:sc= -0.0519 (180deg=-0.291) USER MOD Single : A 87 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 152:sc= 0.451 (180deg=0.138) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.793 -27.329 28.174 1.00 0.00 N ATOM 59 CA GLY A 5 -14.458 -26.722 27.047 1.00 0.00 C ATOM 60 C GLY A 5 -15.917 -27.093 26.971 1.00 0.00 C ATOM 61 O GLY A 5 -16.737 -26.307 26.499 1.00 0.00 O ATOM 0 HA2 GLY A 5 -14.365 -25.638 27.115 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.960 -27.028 26.127 1.00 0.00 H new ATOM 65 N SER A 6 -16.250 -28.276 27.445 1.00 0.00 N ATOM 66 CA SER A 6 -17.626 -28.722 27.428 1.00 0.00 C ATOM 67 C SER A 6 -18.272 -28.499 28.789 1.00 0.00 C ATOM 68 O SER A 6 -17.800 -29.010 29.810 1.00 0.00 O ATOM 69 CB SER A 6 -17.719 -30.190 27.017 1.00 0.00 C ATOM 70 OG SER A 6 -17.121 -30.403 25.742 1.00 0.00 O ATOM 0 H SER A 6 -15.589 -28.943 27.845 1.00 0.00 H new ATOM 0 HA SER A 6 -18.168 -28.133 26.688 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.224 -30.812 27.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.764 -30.498 26.988 1.00 0.00 H new ATOM 0 HG SER A 6 -17.192 -31.350 25.502 1.00 0.00 H new ATOM 76 N LEU A 7 -19.338 -27.738 28.798 1.00 0.00 N ATOM 77 CA LEU A 7 -20.025 -27.411 30.025 1.00 0.00 C ATOM 78 C LEU A 7 -21.312 -28.175 30.172 1.00 0.00 C ATOM 79 O LEU A 7 -22.075 -28.330 29.211 1.00 0.00 O ATOM 80 CB LEU A 7 -20.305 -25.905 30.113 1.00 0.00 C ATOM 81 CG LEU A 7 -19.090 -25.026 30.403 1.00 0.00 C ATOM 82 CD1 LEU A 7 -19.434 -23.553 30.230 1.00 0.00 C ATOM 83 CD2 LEU A 7 -18.595 -25.292 31.818 1.00 0.00 C ATOM 0 H LEU A 7 -19.753 -27.329 27.961 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.364 -27.701 30.842 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.750 -25.580 29.173 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.048 -25.736 30.892 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.300 -25.272 29.693 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.553 -22.946 30.442 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.760 -23.373 29.206 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.235 -23.283 30.919 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.728 -24.664 32.024 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.387 -25.061 32.530 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.315 -26.341 31.914 1.00 0.00 H new ATOM 95 N LYS A 8 -21.530 -28.670 31.372 1.00 0.00 N ATOM 96 CA LYS A 8 -22.762 -29.315 31.718 1.00 0.00 C ATOM 97 C LYS A 8 -23.759 -28.226 32.045 1.00 0.00 C ATOM 98 O LYS A 8 -23.699 -27.610 33.113 1.00 0.00 O ATOM 99 CB LYS A 8 -22.552 -30.217 32.932 1.00 0.00 C ATOM 100 CG LYS A 8 -23.770 -31.015 33.338 1.00 0.00 C ATOM 101 CD LYS A 8 -23.466 -31.876 34.543 1.00 0.00 C ATOM 102 CE LYS A 8 -24.674 -32.695 34.954 1.00 0.00 C ATOM 103 NZ LYS A 8 -24.403 -33.530 36.150 1.00 0.00 N ATOM 0 H LYS A 8 -20.850 -28.632 32.132 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.123 -29.934 30.896 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.736 -30.907 32.719 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.238 -29.602 33.776 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.594 -30.339 33.566 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.093 -31.643 32.508 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -22.633 -32.541 34.316 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.152 -31.244 35.374 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -25.510 -32.027 35.161 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -24.975 -33.336 34.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -25.256 -34.073 36.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.622 -34.186 35.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.141 -32.918 36.949 1.00 0.00 H new ATOM 117 N VAL A 9 -24.650 -27.976 31.131 1.00 0.00 N ATOM 118 CA VAL A 9 -25.575 -26.885 31.256 1.00 0.00 C ATOM 119 C VAL A 9 -26.982 -27.391 31.522 1.00 0.00 C ATOM 120 O VAL A 9 -27.490 -28.257 30.811 1.00 0.00 O ATOM 121 CB VAL A 9 -25.514 -26.019 29.968 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.615 -24.989 29.899 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.168 -25.338 29.881 1.00 0.00 C ATOM 0 H VAL A 9 -24.757 -28.523 30.276 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.295 -26.268 32.110 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.656 -26.690 29.121 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.519 -24.415 28.977 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.583 -25.490 29.916 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.539 -24.317 30.754 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.125 -24.730 28.977 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.026 -24.701 30.754 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.381 -26.091 29.849 1.00 0.00 H new ATOM 133 N TYR A 10 -27.592 -26.854 32.563 1.00 0.00 N ATOM 134 CA TYR A 10 -28.923 -27.260 32.970 1.00 0.00 C ATOM 135 C TYR A 10 -29.966 -26.360 32.327 1.00 0.00 C ATOM 136 O TYR A 10 -29.994 -25.152 32.560 1.00 0.00 O ATOM 137 CB TYR A 10 -29.015 -27.243 34.516 1.00 0.00 C ATOM 138 CG TYR A 10 -30.386 -27.573 35.100 1.00 0.00 C ATOM 139 CD1 TYR A 10 -30.845 -28.883 35.170 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.199 -26.574 35.609 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.078 -29.181 35.725 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.428 -26.861 36.164 1.00 0.00 C ATOM 143 CZ TYR A 10 -32.868 -28.164 36.217 1.00 0.00 C ATOM 144 OH TYR A 10 -34.099 -28.450 36.769 1.00 0.00 O ATOM 0 H TYR A 10 -27.180 -26.127 33.148 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.122 -28.277 32.631 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.290 -27.954 34.913 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.718 -26.255 34.869 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.229 -29.682 34.785 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -30.863 -25.548 35.570 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.419 -30.205 35.772 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.044 -26.065 36.556 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.524 -27.619 37.068 1.00 0.00 H new ATOM 154 N GLY A 11 -30.816 -26.963 31.515 1.00 0.00 N ATOM 155 CA GLY A 11 -31.843 -26.221 30.817 1.00 0.00 C ATOM 156 C GLY A 11 -33.219 -26.572 31.314 1.00 0.00 C ATOM 157 O GLY A 11 -34.202 -26.499 30.568 1.00 0.00 O ATOM 0 H GLY A 11 -30.813 -27.965 31.325 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -31.671 -25.152 30.946 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -31.778 -26.427 29.749 1.00 0.00 H new ATOM 161 N GLY A 12 -33.291 -26.966 32.576 1.00 0.00 N ATOM 162 CA GLY A 12 -34.557 -27.317 33.178 1.00 0.00 C ATOM 163 C GLY A 12 -35.469 -26.121 33.314 1.00 0.00 C ATOM 164 O GLY A 12 -35.083 -25.003 32.954 1.00 0.00 O ATOM 0 H GLY A 12 -32.487 -27.049 33.198 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -35.047 -28.080 32.573 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.382 -27.754 34.161 1.00 0.00 H new ATOM 168 N GLU A 13 -36.682 -26.357 33.834 1.00 0.00 N ATOM 169 CA GLU A 13 -37.701 -25.321 33.994 1.00 0.00 C ATOM 170 C GLU A 13 -38.268 -24.963 32.628 1.00 0.00 C ATOM 171 O GLU A 13 -39.435 -25.237 32.326 1.00 0.00 O ATOM 172 CB GLU A 13 -37.109 -24.077 34.699 1.00 0.00 C ATOM 173 CG GLU A 13 -38.097 -23.260 35.511 1.00 0.00 C ATOM 174 CD GLU A 13 -39.074 -22.460 34.674 1.00 0.00 C ATOM 175 OE1 GLU A 13 -38.693 -21.379 34.199 1.00 0.00 O ATOM 176 OE2 GLU A 13 -40.238 -22.898 34.509 1.00 0.00 O ATOM 0 H GLU A 13 -36.981 -27.278 34.156 1.00 0.00 H new ATOM 0 HA GLU A 13 -38.507 -25.698 34.623 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -36.304 -24.402 35.358 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -36.662 -23.430 33.944 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -38.657 -23.930 36.163 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -37.544 -22.577 36.156 1.00 0.00 H new ATOM 183 N ILE A 14 -37.433 -24.378 31.809 1.00 0.00 N ATOM 184 CA ILE A 14 -37.796 -23.993 30.467 1.00 0.00 C ATOM 185 C ILE A 14 -38.035 -25.229 29.593 1.00 0.00 C ATOM 186 O ILE A 14 -39.052 -25.330 28.903 1.00 0.00 O ATOM 187 CB ILE A 14 -36.676 -23.160 29.831 1.00 0.00 C ATOM 188 CG1 ILE A 14 -36.355 -21.951 30.705 1.00 0.00 C ATOM 189 CG2 ILE A 14 -37.077 -22.720 28.427 1.00 0.00 C ATOM 190 CD1 ILE A 14 -35.098 -21.235 30.286 1.00 0.00 C ATOM 0 H ILE A 14 -36.470 -24.152 32.057 1.00 0.00 H new ATOM 0 HA ILE A 14 -38.712 -23.405 30.528 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.780 -23.776 29.755 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -37.192 -21.253 30.671 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -36.253 -22.276 31.740 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -36.273 -22.130 27.987 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -37.262 -23.599 27.809 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -37.983 -22.117 28.480 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -34.926 -20.385 30.947 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -34.252 -21.919 30.347 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -35.205 -20.881 29.261 1.00 0.00 H new ATOM 202 N VAL A 15 -37.098 -26.178 29.647 1.00 0.00 N ATOM 203 CA VAL A 15 -37.181 -27.388 28.831 1.00 0.00 C ATOM 204 C VAL A 15 -37.170 -28.647 29.714 1.00 0.00 C ATOM 205 O VAL A 15 -36.119 -29.230 29.974 1.00 0.00 O ATOM 206 CB VAL A 15 -36.017 -27.466 27.807 1.00 0.00 C ATOM 207 CG1 VAL A 15 -36.212 -28.630 26.847 1.00 0.00 C ATOM 208 CG2 VAL A 15 -35.882 -26.156 27.038 1.00 0.00 C ATOM 0 H VAL A 15 -36.274 -26.131 30.247 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.123 -27.340 28.284 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.095 -27.634 28.363 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -35.383 -28.662 26.140 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -36.246 -29.563 27.409 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -37.148 -28.500 26.303 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -35.060 -26.235 26.327 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -36.808 -25.952 26.501 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -35.681 -25.343 27.736 1.00 0.00 H new ATOM 218 N PRO A 16 -38.349 -29.056 30.210 1.00 0.00 N ATOM 219 CA PRO A 16 -38.495 -30.248 31.074 1.00 0.00 C ATOM 220 C PRO A 16 -38.013 -31.544 30.398 1.00 0.00 C ATOM 221 O PRO A 16 -37.477 -32.438 31.058 1.00 0.00 O ATOM 222 CB PRO A 16 -40.007 -30.314 31.329 1.00 0.00 C ATOM 223 CG PRO A 16 -40.497 -28.931 31.083 1.00 0.00 C ATOM 224 CD PRO A 16 -39.636 -28.386 29.985 1.00 0.00 C ATOM 0 HA PRO A 16 -37.891 -30.164 31.977 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -40.489 -31.029 30.662 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -40.222 -30.634 32.349 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -41.548 -28.934 30.792 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -40.417 -28.321 31.983 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -40.044 -28.616 29.001 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -39.543 -27.302 30.046 1.00 0.00 H new ATOM 232 N THR A 17 -38.205 -31.631 29.086 1.00 0.00 N ATOM 233 CA THR A 17 -37.827 -32.822 28.329 1.00 0.00 C ATOM 234 C THR A 17 -36.298 -32.985 28.222 1.00 0.00 C ATOM 235 O THR A 17 -35.803 -34.083 27.950 1.00 0.00 O ATOM 236 CB THR A 17 -38.471 -32.832 26.906 1.00 0.00 C ATOM 237 OG1 THR A 17 -38.081 -34.003 26.181 1.00 0.00 O ATOM 238 CG2 THR A 17 -38.085 -31.591 26.112 1.00 0.00 C ATOM 0 H THR A 17 -38.621 -30.890 28.522 1.00 0.00 H new ATOM 0 HA THR A 17 -38.215 -33.673 28.889 1.00 0.00 H new ATOM 0 HB THR A 17 -39.553 -32.836 27.041 1.00 0.00 H new ATOM 0 HG1 THR A 17 -37.250 -34.360 26.558 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.550 -31.630 25.127 1.00 0.00 H new ATOM 0 HG22 THR A 17 -38.427 -30.701 26.640 1.00 0.00 H new ATOM 0 HG23 THR A 17 -37.001 -31.553 26.000 1.00 0.00 H new ATOM 246 N ARG A 18 -35.558 -31.903 28.439 1.00 0.00 N ATOM 247 CA ARG A 18 -34.097 -31.942 28.367 1.00 0.00 C ATOM 248 C ARG A 18 -33.484 -31.144 29.517 1.00 0.00 C ATOM 249 O ARG A 18 -33.131 -29.979 29.347 1.00 0.00 O ATOM 250 CB ARG A 18 -33.596 -31.366 27.041 1.00 0.00 C ATOM 251 CG ARG A 18 -34.076 -32.098 25.799 1.00 0.00 C ATOM 252 CD ARG A 18 -33.565 -31.410 24.543 1.00 0.00 C ATOM 253 NE ARG A 18 -34.105 -31.999 23.320 1.00 0.00 N ATOM 254 CZ ARG A 18 -33.933 -31.482 22.094 1.00 0.00 C ATOM 255 NH1 ARG A 18 -33.172 -30.403 21.919 1.00 0.00 N ATOM 256 NH2 ARG A 18 -34.502 -32.058 21.039 1.00 0.00 N ATOM 0 H ARG A 18 -35.944 -30.987 28.666 1.00 0.00 H new ATOM 0 HA ARG A 18 -33.793 -32.986 28.440 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -33.909 -30.324 26.974 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -32.506 -31.371 27.049 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -33.729 -33.131 25.822 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -35.165 -32.128 25.786 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -33.828 -30.353 24.580 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -32.477 -31.467 24.519 1.00 0.00 H new ATOM 0 HE ARG A 18 -34.648 -32.859 23.404 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -32.716 -29.965 22.720 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -33.045 -30.015 20.984 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -35.071 -32.896 21.160 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -34.369 -31.662 20.108 1.00 0.00 H new ATOM 270 N PRO A 19 -33.385 -31.747 30.713 1.00 0.00 N ATOM 271 CA PRO A 19 -32.830 -31.075 31.895 1.00 0.00 C ATOM 272 C PRO A 19 -31.367 -30.650 31.724 1.00 0.00 C ATOM 273 O PRO A 19 -30.946 -29.638 32.270 1.00 0.00 O ATOM 274 CB PRO A 19 -32.955 -32.132 33.002 1.00 0.00 C ATOM 275 CG PRO A 19 -33.077 -33.429 32.277 1.00 0.00 C ATOM 276 CD PRO A 19 -33.821 -33.117 31.018 1.00 0.00 C ATOM 0 HA PRO A 19 -33.360 -30.146 32.104 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -32.083 -32.125 33.656 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -33.826 -31.946 33.630 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -32.096 -33.850 32.058 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -33.613 -34.165 32.877 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -33.567 -33.810 30.216 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -34.900 -33.176 31.161 1.00 0.00 H new ATOM 284 N TYR A 20 -30.599 -31.412 30.963 1.00 0.00 N ATOM 285 CA TYR A 20 -29.189 -31.092 30.765 1.00 0.00 C ATOM 286 C TYR A 20 -28.782 -31.136 29.308 1.00 0.00 C ATOM 287 O TYR A 20 -29.277 -31.953 28.533 1.00 0.00 O ATOM 288 CB TYR A 20 -28.287 -32.028 31.575 1.00 0.00 C ATOM 289 CG TYR A 20 -28.362 -31.830 33.071 1.00 0.00 C ATOM 290 CD1 TYR A 20 -27.663 -30.799 33.678 1.00 0.00 C ATOM 291 CD2 TYR A 20 -29.122 -32.669 33.873 1.00 0.00 C ATOM 292 CE1 TYR A 20 -27.714 -30.608 35.043 1.00 0.00 C ATOM 293 CE2 TYR A 20 -29.175 -32.487 35.243 1.00 0.00 C ATOM 294 CZ TYR A 20 -28.473 -31.453 35.820 1.00 0.00 C ATOM 295 OH TYR A 20 -28.518 -31.266 37.179 1.00 0.00 O ATOM 0 H TYR A 20 -30.920 -32.248 30.476 1.00 0.00 H new ATOM 0 HA TYR A 20 -29.060 -30.069 31.120 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -28.554 -33.059 31.344 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -27.255 -31.886 31.254 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.067 -30.133 33.071 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -29.680 -33.476 33.421 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -27.162 -29.800 35.499 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -29.764 -33.152 35.857 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.098 -31.944 37.584 1.00 0.00 H new ATOM 305 N VAL A 21 -27.880 -30.242 28.948 1.00 0.00 N ATOM 306 CA VAL A 21 -27.307 -30.188 27.620 1.00 0.00 C ATOM 307 C VAL A 21 -25.813 -29.923 27.734 1.00 0.00 C ATOM 308 O VAL A 21 -25.345 -29.360 28.728 1.00 0.00 O ATOM 309 CB VAL A 21 -27.983 -29.102 26.732 1.00 0.00 C ATOM 310 CG1 VAL A 21 -27.795 -27.711 27.315 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.477 -29.151 25.293 1.00 0.00 C ATOM 0 H VAL A 21 -27.522 -29.525 29.579 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.482 -31.148 27.134 1.00 0.00 H new ATOM 0 HB VAL A 21 -29.050 -29.325 26.719 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.279 -26.978 26.670 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.240 -27.670 28.309 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.731 -27.486 27.384 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -27.973 -28.378 24.706 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.400 -28.982 25.280 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.696 -30.129 24.863 1.00 0.00 H new ATOM 321 N SER A 22 -25.086 -30.335 26.743 1.00 0.00 N ATOM 322 CA SER A 22 -23.649 -30.156 26.728 1.00 0.00 C ATOM 323 C SER A 22 -23.285 -29.085 25.717 1.00 0.00 C ATOM 324 O SER A 22 -23.691 -29.162 24.557 1.00 0.00 O ATOM 325 CB SER A 22 -22.957 -31.477 26.383 1.00 0.00 C ATOM 326 OG SER A 22 -23.339 -32.505 27.293 1.00 0.00 O ATOM 0 H SER A 22 -25.461 -30.805 25.919 1.00 0.00 H new ATOM 0 HA SER A 22 -23.312 -29.841 27.716 1.00 0.00 H new ATOM 0 HB2 SER A 22 -23.215 -31.772 25.366 1.00 0.00 H new ATOM 0 HB3 SER A 22 -21.876 -31.344 26.412 1.00 0.00 H new ATOM 0 HG SER A 22 -22.886 -33.340 27.052 1.00 0.00 H new ATOM 332 N ILE A 23 -22.555 -28.076 26.150 1.00 0.00 N ATOM 333 CA ILE A 23 -22.196 -26.985 25.258 1.00 0.00 C ATOM 334 C ILE A 23 -20.701 -26.775 25.273 1.00 0.00 C ATOM 335 O ILE A 23 -20.019 -27.206 26.205 1.00 0.00 O ATOM 336 CB ILE A 23 -22.871 -25.651 25.657 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.277 -25.114 26.959 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.369 -25.845 25.802 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.681 -23.691 27.265 1.00 0.00 C ATOM 0 H ILE A 23 -22.201 -27.986 27.102 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.542 -27.268 24.264 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.685 -24.921 24.869 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.588 -25.756 27.783 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.190 -25.171 26.903 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -24.833 -24.899 26.083 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.785 -26.186 24.854 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.567 -26.589 26.573 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.223 -23.376 28.203 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.346 -23.037 26.460 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -23.766 -23.632 27.353 1.00 0.00 H new ATOM 351 N LEU A 24 -20.190 -26.130 24.257 1.00 0.00 N ATOM 352 CA LEU A 24 -18.791 -25.804 24.214 1.00 0.00 C ATOM 353 C LEU A 24 -18.620 -24.301 24.334 1.00 0.00 C ATOM 354 O LEU A 24 -19.185 -23.537 23.544 1.00 0.00 O ATOM 355 CB LEU A 24 -18.135 -26.323 22.931 1.00 0.00 C ATOM 356 CG LEU A 24 -17.869 -27.841 22.873 1.00 0.00 C ATOM 357 CD1 LEU A 24 -19.159 -28.623 22.678 1.00 0.00 C ATOM 358 CD2 LEU A 24 -16.883 -28.169 21.773 1.00 0.00 C ATOM 0 H LEU A 24 -20.725 -25.820 23.446 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.294 -26.292 25.052 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -18.770 -26.053 22.087 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -17.187 -25.803 22.795 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.438 -28.137 23.829 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -18.936 -29.689 22.641 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -19.835 -28.422 23.509 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.631 -28.319 21.744 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.709 -29.245 21.749 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -17.287 -27.845 20.814 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.942 -27.653 21.963 1.00 0.00 H new ATOM 370 N ALA A 25 -17.857 -23.878 25.322 1.00 0.00 N ATOM 371 CA ALA A 25 -17.638 -22.471 25.574 1.00 0.00 C ATOM 372 C ALA A 25 -16.267 -22.239 26.170 1.00 0.00 C ATOM 373 O ALA A 25 -15.770 -23.062 26.942 1.00 0.00 O ATOM 374 CB ALA A 25 -18.711 -21.934 26.513 1.00 0.00 C ATOM 0 H ALA A 25 -17.373 -24.499 25.970 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.695 -21.940 24.624 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.537 -20.874 26.696 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.692 -22.067 26.058 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.672 -22.477 27.458 1.00 0.00 H new ATOM 380 N GLU A 26 -15.657 -21.142 25.796 1.00 0.00 N ATOM 381 CA GLU A 26 -14.377 -20.759 26.337 1.00 0.00 C ATOM 382 C GLU A 26 -14.589 -19.887 27.569 1.00 0.00 C ATOM 383 O GLU A 26 -15.606 -19.215 27.683 1.00 0.00 O ATOM 384 CB GLU A 26 -13.535 -20.029 25.279 1.00 0.00 C ATOM 385 CG GLU A 26 -12.900 -20.948 24.232 1.00 0.00 C ATOM 386 CD GLU A 26 -13.910 -21.691 23.372 1.00 0.00 C ATOM 387 OE1 GLU A 26 -14.484 -21.077 22.441 1.00 0.00 O ATOM 388 OE2 GLU A 26 -14.122 -22.901 23.611 1.00 0.00 O ATOM 0 H GLU A 26 -16.034 -20.490 25.108 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.828 -21.654 26.630 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.166 -19.300 24.770 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.745 -19.471 25.782 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.254 -20.354 23.585 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.264 -21.674 24.738 1.00 0.00 H new ATOM 395 N ILE A 27 -13.637 -19.897 28.486 1.00 0.00 N ATOM 396 CA ILE A 27 -13.773 -19.136 29.725 1.00 0.00 C ATOM 397 C ILE A 27 -13.825 -17.624 29.485 1.00 0.00 C ATOM 398 O ILE A 27 -14.424 -16.883 30.264 1.00 0.00 O ATOM 399 CB ILE A 27 -12.670 -19.474 30.758 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.961 -18.747 32.070 1.00 0.00 C ATOM 401 CG2 ILE A 27 -11.291 -19.096 30.219 1.00 0.00 C ATOM 402 CD1 ILE A 27 -12.184 -19.246 33.252 1.00 0.00 C ATOM 0 H ILE A 27 -12.765 -20.419 28.401 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.731 -19.444 30.145 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.670 -20.548 30.942 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.750 -17.686 31.936 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.025 -18.835 32.289 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.531 -19.342 30.960 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.095 -19.650 29.301 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.262 -18.026 30.011 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.457 -18.670 34.136 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.412 -20.299 33.419 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.117 -19.132 33.060 1.00 0.00 H new ATOM 414 N ASN A 28 -13.235 -17.174 28.398 1.00 0.00 N ATOM 415 CA ASN A 28 -13.217 -15.751 28.087 1.00 0.00 C ATOM 416 C ASN A 28 -14.481 -15.342 27.333 1.00 0.00 C ATOM 417 O ASN A 28 -14.616 -14.196 26.893 1.00 0.00 O ATOM 418 CB ASN A 28 -11.960 -15.384 27.278 1.00 0.00 C ATOM 419 CG ASN A 28 -11.850 -16.145 25.967 1.00 0.00 C ATOM 420 OD1 ASN A 28 -11.316 -17.261 25.927 1.00 0.00 O ATOM 421 ND2 ASN A 28 -12.337 -15.555 24.890 1.00 0.00 N ATOM 0 H ASN A 28 -12.762 -17.766 27.715 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.190 -15.201 29.028 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.969 -14.314 27.070 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.075 -15.584 27.882 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.280 -16.020 23.984 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.770 -14.634 24.964 1.00 0.00 H new ATOM 428 N GLU A 29 -15.415 -16.273 27.212 1.00 0.00 N ATOM 429 CA GLU A 29 -16.665 -16.010 26.536 1.00 0.00 C ATOM 430 C GLU A 29 -17.674 -15.465 27.515 1.00 0.00 C ATOM 431 O GLU A 29 -17.677 -15.835 28.690 1.00 0.00 O ATOM 432 CB GLU A 29 -17.198 -17.279 25.878 1.00 0.00 C ATOM 433 CG GLU A 29 -16.298 -17.800 24.783 1.00 0.00 C ATOM 434 CD GLU A 29 -16.235 -16.872 23.594 1.00 0.00 C ATOM 435 OE1 GLU A 29 -17.129 -16.947 22.729 1.00 0.00 O ATOM 436 OE2 GLU A 29 -15.298 -16.059 23.525 1.00 0.00 O ATOM 0 H GLU A 29 -15.325 -17.221 27.577 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.490 -15.268 25.756 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.321 -18.051 26.638 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -18.186 -17.079 25.464 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.293 -17.944 25.181 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.655 -18.777 24.458 1.00 0.00 H new ATOM 443 N ASN A 30 -18.521 -14.592 27.041 1.00 0.00 N ATOM 444 CA ASN A 30 -19.525 -13.986 27.884 1.00 0.00 C ATOM 445 C ASN A 30 -20.738 -14.892 27.990 1.00 0.00 C ATOM 446 O ASN A 30 -20.862 -15.880 27.252 1.00 0.00 O ATOM 447 CB ASN A 30 -19.921 -12.591 27.360 1.00 0.00 C ATOM 448 CG ASN A 30 -20.567 -12.617 25.979 1.00 0.00 C ATOM 449 OD1 ASN A 30 -20.339 -13.520 25.184 1.00 0.00 O ATOM 450 ND2 ASN A 30 -21.374 -11.613 25.690 1.00 0.00 N ATOM 0 H ASN A 30 -18.538 -14.281 26.070 1.00 0.00 H new ATOM 0 HA ASN A 30 -19.104 -13.855 28.881 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.612 -12.130 28.066 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.033 -11.960 27.324 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.831 -11.572 24.779 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -21.540 -10.878 26.378 1.00 0.00 H new ATOM 457 N ALA A 31 -21.633 -14.556 28.898 1.00 0.00 N ATOM 458 CA ALA A 31 -22.826 -15.343 29.135 1.00 0.00 C ATOM 459 C ALA A 31 -23.672 -15.466 27.882 1.00 0.00 C ATOM 460 O ALA A 31 -24.398 -16.418 27.731 1.00 0.00 O ATOM 461 CB ALA A 31 -23.640 -14.746 30.267 1.00 0.00 C ATOM 0 H ALA A 31 -21.553 -13.730 29.492 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.508 -16.346 29.420 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.532 -15.350 30.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -23.040 -14.730 31.177 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.933 -13.729 30.007 1.00 0.00 H new ATOM 467 N ASP A 32 -23.570 -14.494 26.987 1.00 0.00 N ATOM 468 CA ASP A 32 -24.321 -14.535 25.729 1.00 0.00 C ATOM 469 C ASP A 32 -23.935 -15.746 24.899 1.00 0.00 C ATOM 470 O ASP A 32 -24.792 -16.405 24.315 1.00 0.00 O ATOM 471 CB ASP A 32 -24.086 -13.269 24.912 1.00 0.00 C ATOM 472 CG ASP A 32 -24.772 -13.318 23.558 1.00 0.00 C ATOM 473 OD1 ASP A 32 -26.015 -13.356 23.518 1.00 0.00 O ATOM 474 OD2 ASP A 32 -24.071 -13.302 22.531 1.00 0.00 O ATOM 0 H ASP A 32 -22.980 -13.670 27.102 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.378 -14.604 25.986 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -24.451 -12.407 25.470 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -23.015 -13.126 24.769 1.00 0.00 H new ATOM 479 N ARG A 33 -22.646 -16.036 24.846 1.00 0.00 N ATOM 480 CA ARG A 33 -22.163 -17.163 24.071 1.00 0.00 C ATOM 481 C ARG A 33 -22.566 -18.473 24.725 1.00 0.00 C ATOM 482 O ARG A 33 -23.004 -19.405 24.055 1.00 0.00 O ATOM 483 CB ARG A 33 -20.645 -17.092 23.902 1.00 0.00 C ATOM 484 CG ARG A 33 -20.177 -15.873 23.134 1.00 0.00 C ATOM 485 CD ARG A 33 -20.706 -15.872 21.714 1.00 0.00 C ATOM 486 NE ARG A 33 -20.347 -14.652 21.010 1.00 0.00 N ATOM 487 CZ ARG A 33 -20.922 -14.232 19.891 1.00 0.00 C ATOM 488 NH1 ARG A 33 -21.904 -14.937 19.330 1.00 0.00 N ATOM 489 NH2 ARG A 33 -20.517 -13.106 19.331 1.00 0.00 N ATOM 0 H ARG A 33 -21.919 -15.508 25.329 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.619 -17.118 23.082 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.178 -17.092 24.887 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.303 -17.989 23.387 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -20.508 -14.970 23.647 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -19.087 -15.849 23.117 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -20.309 -16.733 21.177 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -21.791 -15.978 21.729 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.601 -14.079 21.404 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -22.218 -15.806 19.761 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -22.341 -14.607 18.469 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.766 -12.565 19.759 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.955 -12.778 18.470 1.00 0.00 H new ATOM 503 N ILE A 34 -22.426 -18.525 26.040 1.00 0.00 N ATOM 504 CA ILE A 34 -22.793 -19.702 26.817 1.00 0.00 C ATOM 505 C ILE A 34 -24.304 -19.955 26.732 1.00 0.00 C ATOM 506 O ILE A 34 -24.753 -21.082 26.497 1.00 0.00 O ATOM 507 CB ILE A 34 -22.377 -19.499 28.292 1.00 0.00 C ATOM 508 CG1 ILE A 34 -20.847 -19.446 28.403 1.00 0.00 C ATOM 509 CG2 ILE A 34 -22.940 -20.603 29.184 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.343 -18.982 29.757 1.00 0.00 C ATOM 0 H ILE A 34 -22.056 -17.756 26.599 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.274 -20.569 26.408 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.792 -18.552 28.636 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.443 -20.437 28.196 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.460 -18.778 27.634 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.630 -20.432 30.215 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -24.028 -20.597 29.127 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.564 -21.569 28.848 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.253 -18.972 29.755 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.715 -17.978 29.959 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.698 -19.663 30.530 1.00 0.00 H new ATOM 522 N LEU A 35 -25.071 -18.889 26.901 1.00 0.00 N ATOM 523 CA LEU A 35 -26.523 -18.935 26.819 1.00 0.00 C ATOM 524 C LEU A 35 -26.949 -19.321 25.416 1.00 0.00 C ATOM 525 O LEU A 35 -27.805 -20.179 25.227 1.00 0.00 O ATOM 526 CB LEU A 35 -27.084 -17.546 27.186 1.00 0.00 C ATOM 527 CG LEU A 35 -28.603 -17.350 27.130 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.317 -18.341 28.033 1.00 0.00 C ATOM 529 CD2 LEU A 35 -28.950 -15.928 27.541 1.00 0.00 C ATOM 0 H LEU A 35 -24.700 -17.960 27.101 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.911 -19.680 27.513 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.753 -17.308 28.197 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.627 -16.814 26.520 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.935 -17.526 26.107 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.393 -18.178 27.973 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.085 -19.357 27.713 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -28.986 -18.200 29.062 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -30.031 -15.791 27.500 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.599 -15.747 28.557 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.469 -15.225 26.861 1.00 0.00 H new ATOM 541 N GLY A 36 -26.309 -18.706 24.441 1.00 0.00 N ATOM 542 CA GLY A 36 -26.631 -18.938 23.061 1.00 0.00 C ATOM 543 C GLY A 36 -26.328 -20.338 22.594 1.00 0.00 C ATOM 544 O GLY A 36 -27.092 -20.900 21.844 1.00 0.00 O ATOM 0 H GLY A 36 -25.555 -18.035 24.590 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.690 -18.734 22.905 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.076 -18.231 22.444 1.00 0.00 H new ATOM 548 N ALA A 37 -25.213 -20.898 23.036 1.00 0.00 N ATOM 549 CA ALA A 37 -24.828 -22.249 22.624 1.00 0.00 C ATOM 550 C ALA A 37 -25.866 -23.285 23.057 1.00 0.00 C ATOM 551 O ALA A 37 -26.281 -24.128 22.263 1.00 0.00 O ATOM 552 CB ALA A 37 -23.459 -22.602 23.184 1.00 0.00 C ATOM 0 H ALA A 37 -24.559 -20.446 23.676 1.00 0.00 H new ATOM 0 HA ALA A 37 -24.780 -22.264 21.535 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.186 -23.609 22.869 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.720 -21.893 22.812 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.489 -22.557 24.273 1.00 0.00 H new ATOM 558 N ALA A 38 -26.284 -23.214 24.313 1.00 0.00 N ATOM 559 CA ALA A 38 -27.284 -24.139 24.838 1.00 0.00 C ATOM 560 C ALA A 38 -28.637 -23.877 24.202 1.00 0.00 C ATOM 561 O ALA A 38 -29.342 -24.798 23.795 1.00 0.00 O ATOM 562 CB ALA A 38 -27.382 -23.999 26.342 1.00 0.00 C ATOM 0 H ALA A 38 -25.948 -22.527 24.988 1.00 0.00 H new ATOM 0 HA ALA A 38 -26.977 -25.156 24.595 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -28.131 -24.693 26.724 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.415 -24.224 26.792 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.671 -22.979 26.594 1.00 0.00 H new ATOM 568 N LEU A 39 -28.962 -22.608 24.084 1.00 0.00 N ATOM 569 CA LEU A 39 -30.222 -22.149 23.522 1.00 0.00 C ATOM 570 C LEU A 39 -30.320 -22.573 22.053 1.00 0.00 C ATOM 571 O LEU A 39 -31.402 -22.895 21.548 1.00 0.00 O ATOM 572 CB LEU A 39 -30.277 -20.634 23.658 1.00 0.00 C ATOM 573 CG LEU A 39 -31.589 -19.961 23.334 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.675 -20.443 24.279 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.428 -18.472 23.451 1.00 0.00 C ATOM 0 H LEU A 39 -28.349 -21.849 24.381 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.065 -22.592 24.053 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -30.009 -20.377 24.683 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.510 -20.208 23.011 1.00 0.00 H new ATOM 0 HG LEU A 39 -31.880 -20.215 22.315 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.616 -19.950 24.034 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.794 -21.522 24.177 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.397 -20.204 25.305 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.374 -17.984 23.217 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -31.130 -18.217 24.468 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -30.663 -18.133 22.753 1.00 0.00 H new ATOM 587 N GLU A 40 -29.174 -22.565 21.384 1.00 0.00 N ATOM 588 CA GLU A 40 -29.048 -22.981 19.999 1.00 0.00 C ATOM 589 C GLU A 40 -29.480 -24.429 19.832 1.00 0.00 C ATOM 590 O GLU A 40 -30.135 -24.785 18.857 1.00 0.00 O ATOM 591 CB GLU A 40 -27.591 -22.850 19.554 1.00 0.00 C ATOM 592 CG GLU A 40 -27.333 -23.298 18.133 1.00 0.00 C ATOM 593 CD GLU A 40 -25.870 -23.274 17.775 1.00 0.00 C ATOM 594 OE1 GLU A 40 -25.148 -24.239 18.125 1.00 0.00 O ATOM 595 OE2 GLU A 40 -25.426 -22.293 17.141 1.00 0.00 O ATOM 0 H GLU A 40 -28.292 -22.263 21.799 1.00 0.00 H new ATOM 0 HA GLU A 40 -29.688 -22.343 19.390 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -27.284 -21.809 19.656 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -26.964 -23.435 20.227 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -27.720 -24.308 17.999 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -27.882 -22.653 17.447 1.00 0.00 H new ATOM 602 N LYS A 41 -29.115 -25.258 20.797 1.00 0.00 N ATOM 603 CA LYS A 41 -29.418 -26.672 20.740 1.00 0.00 C ATOM 604 C LYS A 41 -30.924 -26.906 20.786 1.00 0.00 C ATOM 605 O LYS A 41 -31.436 -27.847 20.172 1.00 0.00 O ATOM 606 CB LYS A 41 -28.689 -27.437 21.854 1.00 0.00 C ATOM 607 CG LYS A 41 -27.192 -27.125 21.917 1.00 0.00 C ATOM 608 CD LYS A 41 -26.544 -27.198 20.537 1.00 0.00 C ATOM 609 CE LYS A 41 -25.064 -26.837 20.591 1.00 0.00 C ATOM 610 NZ LYS A 41 -24.445 -26.806 19.238 1.00 0.00 N ATOM 0 H LYS A 41 -28.606 -24.970 21.632 1.00 0.00 H new ATOM 0 HA LYS A 41 -29.055 -27.061 19.789 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.146 -27.192 22.813 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -28.825 -28.508 21.700 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.045 -26.130 22.337 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -26.701 -27.830 22.588 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -26.659 -28.204 20.133 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -27.060 -26.521 19.856 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.946 -25.863 21.065 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.537 -27.560 21.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.416 -26.930 19.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.839 -27.574 18.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.647 -25.892 18.785 1.00 0.00 H new ATOM 624 N TYR A 42 -31.636 -26.040 21.502 1.00 0.00 N ATOM 625 CA TYR A 42 -33.085 -26.146 21.586 1.00 0.00 C ATOM 626 C TYR A 42 -33.742 -25.378 20.433 1.00 0.00 C ATOM 627 O TYR A 42 -34.962 -25.383 20.288 1.00 0.00 O ATOM 628 CB TYR A 42 -33.600 -25.610 22.933 1.00 0.00 C ATOM 629 CG TYR A 42 -32.950 -26.262 24.135 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.313 -27.535 24.540 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.952 -25.613 24.847 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.708 -28.138 25.622 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.340 -26.214 25.931 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.726 -27.478 26.313 1.00 0.00 C ATOM 635 OH TYR A 42 -31.121 -28.089 27.387 1.00 0.00 O ATOM 0 H TYR A 42 -31.235 -25.264 22.028 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.351 -27.200 21.511 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.427 -24.535 22.976 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.678 -25.762 22.987 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -34.083 -28.065 23.999 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.648 -24.620 24.549 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -33.008 -29.130 25.925 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.564 -25.695 26.474 1.00 0.00 H new ATOM 0 HH TYR A 42 -30.446 -27.489 27.767 1.00 0.00 H new ATOM 645 N GLY A 43 -32.913 -24.719 19.618 1.00 0.00 N ATOM 646 CA GLY A 43 -33.410 -23.957 18.476 1.00 0.00 C ATOM 647 C GLY A 43 -34.196 -22.729 18.889 1.00 0.00 C ATOM 648 O GLY A 43 -35.020 -22.228 18.129 1.00 0.00 O ATOM 0 H GLY A 43 -31.899 -24.700 19.730 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -32.568 -23.652 17.854 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -34.043 -24.599 17.864 1.00 0.00 H new ATOM 652 N LEU A 44 -33.932 -22.240 20.092 1.00 0.00 N ATOM 653 CA LEU A 44 -34.659 -21.097 20.634 1.00 0.00 C ATOM 654 C LEU A 44 -33.767 -19.860 20.733 1.00 0.00 C ATOM 655 O LEU A 44 -34.103 -18.908 21.430 1.00 0.00 O ATOM 656 CB LEU A 44 -35.227 -21.440 22.019 1.00 0.00 C ATOM 657 CG LEU A 44 -36.198 -22.622 22.071 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.665 -22.871 23.498 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.384 -22.381 21.155 1.00 0.00 C ATOM 0 H LEU A 44 -33.218 -22.617 20.715 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.477 -20.870 19.950 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.394 -21.650 22.690 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -35.737 -20.559 22.409 1.00 0.00 H new ATOM 0 HG LEU A 44 -35.672 -23.511 21.723 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.354 -23.715 23.513 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.804 -23.094 24.129 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -37.171 -21.982 23.875 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -38.062 -23.233 21.206 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -37.909 -21.479 21.470 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -37.033 -22.258 20.130 1.00 0.00 H new ATOM 671 N GLU A 45 -32.640 -19.867 20.015 1.00 0.00 N ATOM 672 CA GLU A 45 -31.662 -18.766 20.084 1.00 0.00 C ATOM 673 C GLU A 45 -32.277 -17.410 19.697 1.00 0.00 C ATOM 674 O GLU A 45 -31.798 -16.356 20.112 1.00 0.00 O ATOM 675 CB GLU A 45 -30.446 -19.069 19.204 1.00 0.00 C ATOM 676 CG GLU A 45 -29.337 -18.031 19.313 1.00 0.00 C ATOM 677 CD GLU A 45 -28.143 -18.362 18.452 1.00 0.00 C ATOM 678 OE1 GLU A 45 -28.216 -18.149 17.226 1.00 0.00 O ATOM 679 OE2 GLU A 45 -27.121 -18.818 18.994 1.00 0.00 O ATOM 0 H GLU A 45 -32.378 -20.620 19.379 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.342 -18.691 21.123 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.046 -20.045 19.477 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -30.768 -19.136 18.165 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -29.728 -17.055 19.025 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.019 -17.952 20.353 1.00 0.00 H new ATOM 686 N HIS A 46 -33.350 -17.452 18.939 1.00 0.00 N ATOM 687 CA HIS A 46 -34.020 -16.238 18.487 1.00 0.00 C ATOM 688 C HIS A 46 -34.886 -15.640 19.601 1.00 0.00 C ATOM 689 O HIS A 46 -35.416 -14.537 19.469 1.00 0.00 O ATOM 690 CB HIS A 46 -34.875 -16.540 17.258 1.00 0.00 C ATOM 691 CG HIS A 46 -34.080 -16.949 16.058 1.00 0.00 C ATOM 692 ND1 HIS A 46 -33.790 -18.264 15.765 1.00 0.00 N ATOM 693 CD2 HIS A 46 -33.511 -16.216 15.073 1.00 0.00 C ATOM 694 CE1 HIS A 46 -33.080 -18.319 14.652 1.00 0.00 C ATOM 695 NE2 HIS A 46 -32.901 -17.094 14.216 1.00 0.00 N ATOM 0 H HIS A 46 -33.785 -18.317 18.617 1.00 0.00 H new ATOM 0 HA HIS A 46 -33.258 -15.505 18.221 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -35.580 -17.334 17.503 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -35.463 -15.657 17.009 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -33.533 -15.140 14.980 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -32.710 -19.218 14.182 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -32.389 -16.836 13.372 1.00 0.00 H new ATOM 703 N SER A 47 -35.026 -16.381 20.689 1.00 0.00 N ATOM 704 CA SER A 47 -35.817 -15.943 21.833 1.00 0.00 C ATOM 705 C SER A 47 -34.915 -15.712 23.049 1.00 0.00 C ATOM 706 O SER A 47 -35.382 -15.687 24.185 1.00 0.00 O ATOM 707 CB SER A 47 -36.876 -17.003 22.158 1.00 0.00 C ATOM 708 OG SER A 47 -37.695 -17.269 21.028 1.00 0.00 O ATOM 0 H SER A 47 -34.597 -17.299 20.806 1.00 0.00 H new ATOM 0 HA SER A 47 -36.310 -15.003 21.585 1.00 0.00 H new ATOM 0 HB2 SER A 47 -36.388 -17.922 22.482 1.00 0.00 H new ATOM 0 HB3 SER A 47 -37.495 -16.661 22.988 1.00 0.00 H new ATOM 0 HG SER A 47 -38.361 -17.949 21.260 1.00 0.00 H new ATOM 714 N LYS A 48 -33.623 -15.499 22.786 1.00 0.00 N ATOM 715 CA LYS A 48 -32.613 -15.342 23.843 1.00 0.00 C ATOM 716 C LYS A 48 -32.933 -14.166 24.758 1.00 0.00 C ATOM 717 O LYS A 48 -32.586 -14.171 25.934 1.00 0.00 O ATOM 718 CB LYS A 48 -31.221 -15.147 23.229 1.00 0.00 C ATOM 719 CG LYS A 48 -30.090 -15.262 24.240 1.00 0.00 C ATOM 720 CD LYS A 48 -28.739 -14.931 23.638 1.00 0.00 C ATOM 721 CE LYS A 48 -28.311 -15.918 22.563 1.00 0.00 C ATOM 722 NZ LYS A 48 -27.022 -15.509 21.934 1.00 0.00 N ATOM 0 H LYS A 48 -33.246 -15.430 21.841 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.625 -16.254 24.440 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.072 -15.888 22.443 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -31.176 -14.166 22.755 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.285 -14.592 25.077 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.067 -16.275 24.641 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -28.773 -13.929 23.211 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -27.989 -14.915 24.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.206 -16.911 22.999 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.086 -15.986 21.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.202 -15.149 20.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.578 -14.763 22.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.386 -16.330 21.881 1.00 0.00 H new ATOM 736 N ASP A 49 -33.609 -13.171 24.215 1.00 0.00 N ATOM 737 CA ASP A 49 -33.940 -11.954 24.953 1.00 0.00 C ATOM 738 C ASP A 49 -34.918 -12.232 26.091 1.00 0.00 C ATOM 739 O ASP A 49 -35.172 -11.359 26.917 1.00 0.00 O ATOM 740 CB ASP A 49 -34.555 -10.914 24.014 1.00 0.00 C ATOM 741 CG ASP A 49 -35.964 -11.291 23.572 1.00 0.00 C ATOM 742 OD1 ASP A 49 -36.112 -12.240 22.773 1.00 0.00 O ATOM 743 OD2 ASP A 49 -36.932 -10.634 24.021 1.00 0.00 O ATOM 0 H ASP A 49 -33.946 -13.178 23.252 1.00 0.00 H new ATOM 0 HA ASP A 49 -33.011 -11.572 25.377 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -34.581 -9.946 24.515 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -33.920 -10.801 23.136 1.00 0.00 H new ATOM 748 N ASP A 50 -35.463 -13.433 26.129 1.00 0.00 N ATOM 749 CA ASP A 50 -36.425 -13.796 27.155 1.00 0.00 C ATOM 750 C ASP A 50 -35.775 -14.667 28.243 1.00 0.00 C ATOM 751 O ASP A 50 -36.416 -15.027 29.232 1.00 0.00 O ATOM 752 CB ASP A 50 -37.618 -14.531 26.515 1.00 0.00 C ATOM 753 CG ASP A 50 -38.811 -14.670 27.446 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.423 -13.631 27.788 1.00 0.00 O ATOM 755 OD2 ASP A 50 -39.171 -15.812 27.813 1.00 0.00 O ATOM 0 H ASP A 50 -35.256 -14.175 25.461 1.00 0.00 H new ATOM 0 HA ASP A 50 -36.782 -12.883 27.632 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -37.927 -13.994 25.618 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.296 -15.523 26.198 1.00 0.00 H new ATOM 760 N PHE A 51 -34.487 -14.982 28.076 1.00 0.00 N ATOM 761 CA PHE A 51 -33.812 -15.877 29.018 1.00 0.00 C ATOM 762 C PHE A 51 -32.472 -15.308 29.494 1.00 0.00 C ATOM 763 O PHE A 51 -31.857 -14.487 28.817 1.00 0.00 O ATOM 764 CB PHE A 51 -33.563 -17.228 28.367 1.00 0.00 C ATOM 765 CG PHE A 51 -34.779 -17.848 27.740 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.727 -18.482 28.513 1.00 0.00 C ATOM 767 CD2 PHE A 51 -34.974 -17.786 26.373 1.00 0.00 C ATOM 768 CE1 PHE A 51 -36.849 -19.046 27.937 1.00 0.00 C ATOM 769 CE2 PHE A 51 -36.090 -18.345 25.789 1.00 0.00 C ATOM 770 CZ PHE A 51 -37.028 -18.978 26.572 1.00 0.00 C ATOM 0 H PHE A 51 -33.902 -14.639 27.314 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.468 -15.984 29.882 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -32.794 -17.113 27.603 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -33.167 -17.912 29.118 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.591 -18.539 29.583 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.241 -17.292 25.753 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.585 -19.539 28.555 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.228 -18.286 24.719 1.00 0.00 H new ATOM 0 HZ PHE A 51 -37.902 -19.420 26.118 1.00 0.00 H new ATOM 780 N ILE A 52 -32.044 -15.747 30.676 1.00 0.00 N ATOM 781 CA ILE A 52 -30.748 -15.372 31.252 1.00 0.00 C ATOM 782 C ILE A 52 -30.114 -16.599 31.929 1.00 0.00 C ATOM 783 O ILE A 52 -30.755 -17.651 32.038 1.00 0.00 O ATOM 784 CB ILE A 52 -30.859 -14.219 32.291 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.759 -14.628 33.462 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.378 -12.940 31.639 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.782 -13.623 34.594 1.00 0.00 C ATOM 0 H ILE A 52 -32.587 -16.376 31.267 1.00 0.00 H new ATOM 0 HA ILE A 52 -30.126 -15.014 30.432 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.859 -14.020 32.677 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.775 -14.771 33.095 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.422 -15.590 33.849 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.446 -12.151 32.388 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.694 -12.632 30.848 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.365 -13.123 31.215 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.440 -13.982 35.386 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.774 -13.497 34.989 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -32.149 -12.666 34.223 1.00 0.00 H new ATOM 799 N LEU A 53 -28.876 -16.467 32.384 1.00 0.00 N ATOM 800 CA LEU A 53 -28.196 -17.575 33.043 1.00 0.00 C ATOM 801 C LEU A 53 -28.216 -17.397 34.544 1.00 0.00 C ATOM 802 O LEU A 53 -28.145 -16.285 35.042 1.00 0.00 O ATOM 803 CB LEU A 53 -26.746 -17.693 32.563 1.00 0.00 C ATOM 804 CG LEU A 53 -26.553 -18.006 31.084 1.00 0.00 C ATOM 805 CD1 LEU A 53 -25.078 -18.003 30.727 1.00 0.00 C ATOM 806 CD2 LEU A 53 -27.169 -19.349 30.749 1.00 0.00 C ATOM 0 H LEU A 53 -28.325 -15.612 32.310 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.729 -18.490 32.783 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.234 -16.757 32.785 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.254 -18.472 33.146 1.00 0.00 H new ATOM 0 HG LEU A 53 -27.052 -17.233 30.499 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.960 -18.228 29.667 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.654 -17.021 30.939 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.559 -18.757 31.318 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.025 -19.561 29.690 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.691 -20.127 31.344 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -28.236 -19.326 30.972 1.00 0.00 H new ATOM 818 N VAL A 54 -28.358 -18.488 35.259 1.00 0.00 N ATOM 819 CA VAL A 54 -28.313 -18.459 36.704 1.00 0.00 C ATOM 820 C VAL A 54 -27.285 -19.471 37.206 1.00 0.00 C ATOM 821 O VAL A 54 -27.292 -20.638 36.802 1.00 0.00 O ATOM 822 CB VAL A 54 -29.705 -18.731 37.352 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.689 -17.614 37.026 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.263 -20.077 36.913 1.00 0.00 C ATOM 0 H VAL A 54 -28.507 -19.415 34.860 1.00 0.00 H new ATOM 0 HA VAL A 54 -28.019 -17.453 37.003 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.564 -18.758 38.433 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.651 -17.830 37.490 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -30.305 -16.668 37.408 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.815 -17.544 35.946 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.234 -20.238 37.381 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.376 -20.088 35.829 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.579 -20.870 37.214 1.00 0.00 H new ATOM 834 N GLU A 55 -26.391 -19.024 38.055 1.00 0.00 N ATOM 835 CA GLU A 55 -25.336 -19.886 38.560 1.00 0.00 C ATOM 836 C GLU A 55 -25.800 -20.576 39.831 1.00 0.00 C ATOM 837 O GLU A 55 -26.204 -19.913 40.794 1.00 0.00 O ATOM 838 CB GLU A 55 -24.093 -19.067 38.844 1.00 0.00 C ATOM 839 CG GLU A 55 -22.802 -19.857 38.825 1.00 0.00 C ATOM 840 CD GLU A 55 -21.661 -19.062 39.418 1.00 0.00 C ATOM 841 OE1 GLU A 55 -21.538 -19.032 40.657 1.00 0.00 O ATOM 842 OE2 GLU A 55 -20.912 -18.429 38.653 1.00 0.00 O ATOM 0 H GLU A 55 -26.368 -18.069 38.414 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.101 -20.640 37.809 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -24.025 -18.266 38.108 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.200 -18.594 39.820 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.932 -20.783 39.385 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.559 -20.136 37.800 1.00 0.00 H new ATOM 849 N VAL A 56 -25.763 -21.896 39.828 1.00 0.00 N ATOM 850 CA VAL A 56 -26.217 -22.683 40.962 1.00 0.00 C ATOM 851 C VAL A 56 -25.154 -23.700 41.371 1.00 0.00 C ATOM 852 O VAL A 56 -24.620 -24.416 40.530 1.00 0.00 O ATOM 853 CB VAL A 56 -27.539 -23.418 40.614 1.00 0.00 C ATOM 854 CG1 VAL A 56 -27.928 -24.428 41.690 1.00 0.00 C ATOM 855 CG2 VAL A 56 -28.657 -22.407 40.395 1.00 0.00 C ATOM 0 H VAL A 56 -25.419 -22.451 39.044 1.00 0.00 H new ATOM 0 HA VAL A 56 -26.395 -22.005 41.797 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.378 -23.976 39.692 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -28.859 -24.920 41.408 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -27.139 -25.174 41.791 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -28.064 -23.913 42.641 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -29.580 -22.933 40.151 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -28.801 -21.822 41.303 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.390 -21.742 39.573 1.00 0.00 H new ATOM 1112 N GLY A 73 -30.442 -19.186 40.946 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.123 -18.848 41.434 1.00 0.00 C ATOM 1114 C GLY A 73 -28.818 -17.384 41.259 1.00 0.00 C ATOM 1115 O GLY A 73 -29.706 -16.539 41.403 1.00 0.00 O ATOM 0 HA2 GLY A 73 -29.048 -19.111 42.489 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -28.377 -19.440 40.904 1.00 0.00 H new ATOM 1119 N ARG A 74 -27.572 -17.070 40.943 1.00 0.00 N ATOM 1120 CA ARG A 74 -27.180 -15.694 40.725 1.00 0.00 C ATOM 1121 C ARG A 74 -27.574 -15.289 39.314 1.00 0.00 C ATOM 1122 O ARG A 74 -27.164 -15.939 38.354 1.00 0.00 O ATOM 1123 CB ARG A 74 -25.664 -15.527 40.920 1.00 0.00 C ATOM 1124 CG ARG A 74 -25.195 -14.075 40.914 1.00 0.00 C ATOM 1125 CD ARG A 74 -23.689 -13.963 41.145 1.00 0.00 C ATOM 1126 NE ARG A 74 -22.904 -14.420 39.988 1.00 0.00 N ATOM 1127 CZ ARG A 74 -22.257 -15.597 39.914 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -22.268 -16.438 40.945 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -21.580 -15.910 38.820 1.00 0.00 N ATOM 0 H ARG A 74 -26.819 -17.750 40.833 1.00 0.00 H new ATOM 0 HA ARG A 74 -27.686 -15.055 41.448 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -25.377 -15.987 41.865 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -25.144 -16.069 40.130 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -25.451 -13.614 39.960 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.724 -13.519 41.689 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -23.435 -12.926 41.365 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -23.415 -14.551 42.021 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.846 -13.798 39.182 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.769 -16.192 41.799 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.775 -17.329 40.882 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.550 -15.259 38.035 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.089 -16.802 38.762 1.00 0.00 H new ATOM 1143 N PRO A 75 -28.410 -14.245 39.165 1.00 0.00 N ATOM 1144 CA PRO A 75 -28.841 -13.776 37.848 1.00 0.00 C ATOM 1145 C PRO A 75 -27.672 -13.223 37.049 1.00 0.00 C ATOM 1146 O PRO A 75 -27.057 -12.230 37.434 1.00 0.00 O ATOM 1147 CB PRO A 75 -29.853 -12.659 38.160 1.00 0.00 C ATOM 1148 CG PRO A 75 -30.193 -12.822 39.603 1.00 0.00 C ATOM 1149 CD PRO A 75 -28.989 -13.442 40.251 1.00 0.00 C ATOM 0 HA PRO A 75 -29.265 -14.579 37.245 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -29.424 -11.676 37.966 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -30.741 -12.748 37.535 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -30.428 -11.860 40.058 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -31.071 -13.456 39.727 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -28.291 -12.687 40.612 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -29.263 -14.058 41.107 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.366 -13.872 35.952 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.260 -13.480 35.114 1.00 0.00 C ATOM 1159 C ILE A 76 -26.725 -13.155 33.707 1.00 0.00 C ATOM 1160 O ILE A 76 -27.056 -14.054 32.921 1.00 0.00 O ATOM 1161 CB ILE A 76 -25.203 -14.594 35.062 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -24.824 -14.986 36.481 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -23.968 -14.133 34.287 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.162 -16.326 36.584 1.00 0.00 C ATOM 0 H ILE A 76 -27.878 -14.688 35.615 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.818 -12.584 35.549 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.618 -15.459 34.544 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.155 -14.229 36.890 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.722 -14.987 37.099 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.233 -14.937 34.263 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.254 -13.872 33.268 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.536 -13.261 34.777 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -23.922 -16.534 37.627 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -24.836 -17.095 36.206 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.245 -16.325 35.994 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.809 -11.864 33.387 1.00 0.00 N ATOM 1177 CA PRO A 77 -27.156 -11.406 32.041 1.00 0.00 C ATOM 1178 C PRO A 77 -26.078 -11.798 31.022 1.00 0.00 C ATOM 1179 O PRO A 77 -24.928 -12.054 31.396 1.00 0.00 O ATOM 1180 CB PRO A 77 -27.223 -9.876 32.197 1.00 0.00 C ATOM 1181 CG PRO A 77 -27.400 -9.659 33.654 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.614 -10.743 34.310 1.00 0.00 C ATOM 0 HA PRO A 77 -28.083 -11.846 31.672 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -26.313 -9.400 31.832 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -28.053 -9.455 31.629 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -27.038 -8.675 33.952 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -28.452 -9.710 33.935 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.562 -10.478 34.413 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -26.986 -10.968 35.310 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.432 -11.815 29.721 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.515 -12.225 28.638 1.00 0.00 C ATOM 1192 C PRO A 78 -24.205 -11.438 28.629 1.00 0.00 C ATOM 1193 O PRO A 78 -23.169 -11.936 28.180 1.00 0.00 O ATOM 1194 CB PRO A 78 -26.298 -11.903 27.365 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.729 -11.876 27.770 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.766 -11.452 29.207 1.00 0.00 C ATOM 0 HA PRO A 78 -25.228 -13.271 28.748 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.991 -10.944 26.948 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -26.123 -12.656 26.596 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -28.294 -11.182 27.148 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -28.184 -12.858 27.645 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.953 -10.382 29.303 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.557 -11.964 29.754 1.00 0.00 H new ATOM 1204 N THR A 79 -24.267 -10.217 29.105 1.00 0.00 N ATOM 1205 CA THR A 79 -23.128 -9.320 29.101 1.00 0.00 C ATOM 1206 C THR A 79 -21.940 -9.849 29.956 1.00 0.00 C ATOM 1207 O THR A 79 -20.785 -9.810 29.518 1.00 0.00 O ATOM 1208 CB THR A 79 -23.551 -7.938 29.627 1.00 0.00 C ATOM 1209 OG1 THR A 79 -24.792 -7.555 29.006 1.00 0.00 O ATOM 1210 CG2 THR A 79 -22.488 -6.899 29.309 1.00 0.00 C ATOM 0 H THR A 79 -25.112 -9.813 29.509 1.00 0.00 H new ATOM 0 HA THR A 79 -22.785 -9.251 28.069 1.00 0.00 H new ATOM 0 HB THR A 79 -23.675 -7.994 30.709 1.00 0.00 H new ATOM 0 HG1 THR A 79 -25.067 -6.675 29.339 1.00 0.00 H new ATOM 0 HG21 THR A 79 -22.804 -5.927 29.688 1.00 0.00 H new ATOM 0 HG22 THR A 79 -21.548 -7.184 29.781 1.00 0.00 H new ATOM 0 HG23 THR A 79 -22.349 -6.839 28.230 1.00 0.00 H new ATOM 1218 N GLU A 80 -22.237 -10.355 31.146 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.192 -10.780 32.092 1.00 0.00 C ATOM 1220 C GLU A 80 -20.597 -12.165 31.741 1.00 0.00 C ATOM 1221 O GLU A 80 -21.225 -12.959 31.053 1.00 0.00 O ATOM 1222 CB GLU A 80 -21.766 -10.786 33.525 1.00 0.00 C ATOM 1223 CG GLU A 80 -20.748 -11.115 34.604 1.00 0.00 C ATOM 1224 CD GLU A 80 -19.638 -10.092 34.672 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -18.654 -10.223 33.915 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -19.747 -9.144 35.475 1.00 0.00 O ATOM 0 H GLU A 80 -23.190 -10.484 31.487 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.373 -10.064 32.023 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.198 -9.807 33.735 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -22.579 -11.510 33.575 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -21.250 -11.169 35.570 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.321 -12.099 34.411 1.00 0.00 H new ATOM 1233 N CYS A 81 -19.367 -12.424 32.211 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.691 -13.715 32.004 1.00 0.00 C ATOM 1235 C CYS A 81 -18.434 -14.411 33.364 1.00 0.00 C ATOM 1236 O CYS A 81 -17.432 -14.150 34.028 1.00 0.00 O ATOM 1237 CB CYS A 81 -17.373 -13.514 31.237 1.00 0.00 C ATOM 1238 SG CYS A 81 -16.289 -12.236 31.928 1.00 0.00 S ATOM 0 H CYS A 81 -18.816 -11.750 32.742 1.00 0.00 H new ATOM 0 HA CYS A 81 -19.339 -14.357 31.407 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.831 -14.460 31.216 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -17.604 -13.257 30.203 1.00 0.00 H new ATOM 0 HG CYS A 81 -16.209 -12.386 33.217 1.00 0.00 H new ATOM 1244 N PRO A 82 -19.356 -15.297 33.792 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.293 -15.955 35.118 1.00 0.00 C ATOM 1246 C PRO A 82 -18.193 -17.023 35.274 1.00 0.00 C ATOM 1247 O PRO A 82 -17.806 -17.352 36.397 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.669 -16.609 35.252 1.00 0.00 C ATOM 1249 CG PRO A 82 -21.121 -16.848 33.851 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.537 -15.735 33.019 1.00 0.00 C ATOM 0 HA PRO A 82 -19.045 -15.221 35.884 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.610 -17.542 35.812 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.364 -15.961 35.786 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.780 -17.820 33.494 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -22.209 -16.849 33.789 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -20.257 -16.084 32.025 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -21.250 -14.922 32.883 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.660 -17.527 34.166 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.693 -18.639 34.218 1.00 0.00 C ATOM 1260 C LEU A 83 -15.440 -18.292 34.995 1.00 0.00 C ATOM 1261 O LEU A 83 -14.870 -19.148 35.674 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.321 -19.133 32.828 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.445 -19.767 32.032 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -16.949 -20.213 30.684 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -18.058 -20.936 32.779 1.00 0.00 C ATOM 0 H LEU A 83 -17.873 -17.193 33.226 1.00 0.00 H new ATOM 0 HA LEU A 83 -17.201 -19.443 34.750 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.926 -18.292 32.258 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.514 -19.860 32.925 1.00 0.00 H new ATOM 0 HG LEU A 83 -18.220 -19.013 31.891 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.769 -20.666 30.126 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.567 -19.353 30.134 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.151 -20.944 30.814 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.861 -21.369 32.182 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.294 -21.692 32.962 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.460 -20.589 33.731 1.00 0.00 H new ATOM 1277 N PHE A 84 -15.009 -17.050 34.899 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.830 -16.597 35.621 1.00 0.00 C ATOM 1279 C PHE A 84 -13.981 -16.829 37.111 1.00 0.00 C ATOM 1280 O PHE A 84 -13.070 -17.324 37.775 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.595 -15.117 35.354 1.00 0.00 C ATOM 1282 CG PHE A 84 -12.884 -14.839 34.067 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -13.578 -14.814 32.879 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -11.523 -14.598 34.051 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -12.935 -14.551 31.690 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -10.868 -14.335 32.866 1.00 0.00 C ATOM 1287 CZ PHE A 84 -11.576 -14.313 31.681 1.00 0.00 C ATOM 0 H PHE A 84 -15.456 -16.333 34.328 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.974 -17.172 35.268 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.556 -14.602 35.346 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.015 -14.697 36.176 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -14.641 -15.003 32.879 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.966 -14.616 34.976 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.494 -14.531 30.766 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.805 -14.147 32.865 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.068 -14.110 30.750 1.00 0.00 H new ATOM 1297 N GLU A 85 -15.129 -16.477 37.625 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.415 -16.636 39.024 1.00 0.00 C ATOM 1299 C GLU A 85 -15.711 -18.102 39.370 1.00 0.00 C ATOM 1300 O GLU A 85 -15.297 -18.587 40.419 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.558 -15.715 39.404 1.00 0.00 C ATOM 1302 CG GLU A 85 -16.197 -14.259 39.170 1.00 0.00 C ATOM 1303 CD GLU A 85 -15.065 -13.798 40.065 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -15.282 -13.662 41.286 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -13.944 -13.611 39.557 1.00 0.00 O ATOM 0 H GLU A 85 -15.893 -16.071 37.084 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.538 -16.358 39.608 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.443 -15.970 38.821 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.814 -15.864 40.453 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.912 -14.120 38.127 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.074 -13.636 39.347 1.00 0.00 H new ATOM 1312 N MET A 86 -16.396 -18.805 38.465 1.00 0.00 N ATOM 1313 CA MET A 86 -16.732 -20.224 38.672 1.00 0.00 C ATOM 1314 C MET A 86 -15.469 -21.076 38.796 1.00 0.00 C ATOM 1315 O MET A 86 -15.312 -21.854 39.737 1.00 0.00 O ATOM 1316 CB MET A 86 -17.557 -20.751 37.481 1.00 0.00 C ATOM 1317 CG MET A 86 -18.916 -20.102 37.327 1.00 0.00 C ATOM 1318 SD MET A 86 -19.796 -20.646 35.845 1.00 0.00 S ATOM 1319 CE MET A 86 -20.087 -22.363 36.236 1.00 0.00 C ATOM 0 H MET A 86 -16.730 -18.420 37.582 1.00 0.00 H new ATOM 0 HA MET A 86 -17.308 -20.295 39.595 1.00 0.00 H new ATOM 0 HB2 MET A 86 -16.988 -20.597 36.564 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.692 -21.827 37.596 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.521 -20.327 38.205 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.794 -19.019 37.293 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.799 -22.782 35.525 1.00 0.00 H new ATOM 0 HE2 MET A 86 -19.148 -22.914 36.177 1.00 0.00 H new ATOM 0 HE3 MET A 86 -20.492 -22.443 37.245 1.00 0.00 H new ATOM 1329 N THR A 87 -14.561 -20.883 37.867 1.00 0.00 N ATOM 1330 CA THR A 87 -13.329 -21.647 37.807 1.00 0.00 C ATOM 1331 C THR A 87 -12.424 -21.354 39.014 1.00 0.00 C ATOM 1332 O THR A 87 -11.682 -22.225 39.479 1.00 0.00 O ATOM 1333 CB THR A 87 -12.586 -21.360 36.479 1.00 0.00 C ATOM 1334 OG1 THR A 87 -13.510 -21.482 35.385 1.00 0.00 O ATOM 1335 CG2 THR A 87 -11.441 -22.339 36.269 1.00 0.00 C ATOM 0 H THR A 87 -14.654 -20.188 37.126 1.00 0.00 H new ATOM 0 HA THR A 87 -13.587 -22.706 37.843 1.00 0.00 H new ATOM 0 HB THR A 87 -12.177 -20.351 36.525 1.00 0.00 H new ATOM 0 HG1 THR A 87 -14.035 -20.658 35.307 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.937 -22.114 35.329 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.731 -22.250 37.091 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.833 -23.356 36.236 1.00 0.00 H new ATOM 1495 N PHE A 100 -22.555 -24.836 38.888 1.00 0.00 N ATOM 1496 CA PHE A 100 -22.882 -25.051 37.503 1.00 0.00 C ATOM 1497 C PHE A 100 -23.713 -23.895 37.023 1.00 0.00 C ATOM 1498 O PHE A 100 -24.213 -23.106 37.824 1.00 0.00 O ATOM 1499 CB PHE A 100 -23.627 -26.377 37.276 1.00 0.00 C ATOM 1500 CG PHE A 100 -24.963 -26.481 37.968 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.083 -25.867 37.433 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.099 -27.217 39.130 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.310 -25.988 38.045 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.323 -27.337 39.751 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.432 -26.723 39.209 1.00 0.00 C ATOM 0 HA PHE A 100 -21.954 -25.116 36.936 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -23.777 -26.514 36.205 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -22.993 -27.196 37.616 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -25.993 -25.287 36.526 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.235 -27.704 39.557 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.177 -25.509 37.616 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -26.414 -27.911 40.661 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.393 -26.816 39.693 1.00 0.00 H new ATOM 1515 N LEU A 101 -23.872 -23.783 35.745 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.590 -22.677 35.203 1.00 0.00 C ATOM 1517 C LEU A 101 -25.844 -23.163 34.485 1.00 0.00 C ATOM 1518 O LEU A 101 -25.779 -24.026 33.605 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.660 -21.899 34.289 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.149 -20.553 33.797 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.620 -19.706 34.964 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -23.020 -19.851 33.101 1.00 0.00 C ATOM 0 H LEU A 101 -23.514 -24.445 35.056 1.00 0.00 H new ATOM 0 HA LEU A 101 -24.926 -22.010 35.997 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.718 -21.746 34.815 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.442 -22.519 33.419 1.00 0.00 H new ATOM 0 HG LEU A 101 -24.982 -20.703 33.110 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.969 -18.741 34.596 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.436 -20.215 35.477 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.794 -19.552 35.659 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.361 -18.880 32.742 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.194 -19.711 33.798 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.684 -20.452 32.256 1.00 0.00 H new ATOM 1534 N ALA A 102 -26.981 -22.626 34.884 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.258 -23.040 34.340 1.00 0.00 C ATOM 1536 C ALA A 102 -28.945 -21.903 33.613 1.00 0.00 C ATOM 1537 O ALA A 102 -28.540 -20.745 33.723 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.145 -23.561 35.443 1.00 0.00 C ATOM 0 H ALA A 102 -27.045 -21.894 35.591 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.074 -23.836 33.618 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.103 -23.870 35.024 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.666 -24.415 35.922 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.308 -22.775 36.181 1.00 0.00 H new ATOM 1544 N ILE A 103 -29.986 -22.235 32.875 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.722 -21.252 32.107 1.00 0.00 C ATOM 1546 C ILE A 103 -32.126 -21.070 32.675 1.00 0.00 C ATOM 1547 O ILE A 103 -32.841 -22.042 32.907 1.00 0.00 O ATOM 1548 CB ILE A 103 -30.845 -21.683 30.626 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.463 -21.939 30.033 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.566 -20.606 29.822 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -29.499 -22.549 28.653 1.00 0.00 C ATOM 0 H ILE A 103 -30.343 -23.187 32.791 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.171 -20.313 32.168 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.424 -22.605 30.579 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -28.915 -20.997 29.990 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -28.908 -22.600 30.699 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -31.646 -20.921 28.782 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.564 -20.452 30.233 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.004 -19.674 29.876 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -28.480 -22.702 28.296 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.018 -23.507 28.692 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.025 -21.879 27.973 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.502 -19.826 32.916 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.826 -19.502 33.376 1.00 0.00 C ATOM 1565 C LYS A 104 -34.423 -18.398 32.554 1.00 0.00 C ATOM 1566 O LYS A 104 -33.713 -17.614 31.927 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.841 -19.114 34.823 1.00 0.00 C ATOM 1568 CG LYS A 104 -33.778 -20.292 35.763 1.00 0.00 C ATOM 1569 CD LYS A 104 -33.894 -19.837 37.189 1.00 0.00 C ATOM 1570 CE LYS A 104 -35.268 -19.230 37.469 1.00 0.00 C ATOM 1571 NZ LYS A 104 -35.479 -18.949 38.910 1.00 0.00 N ATOM 0 H LYS A 104 -31.892 -19.017 32.796 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.427 -20.404 33.261 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.997 -18.454 35.023 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -34.747 -18.543 35.029 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -34.581 -20.992 35.532 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -32.839 -20.827 35.622 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -33.724 -20.681 37.857 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -33.119 -19.101 37.402 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -35.376 -18.306 36.902 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -36.042 -19.912 37.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -36.424 -18.539 39.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -35.403 -19.834 39.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -34.758 -18.277 39.242 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.713 -18.332 32.567 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.439 -17.330 31.812 1.00 0.00 C ATOM 1587 C ARG A 105 -36.710 -16.122 32.671 1.00 0.00 C ATOM 1588 O ARG A 105 -37.110 -16.252 33.834 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.741 -17.912 31.270 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.512 -18.715 32.292 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.804 -19.251 31.729 1.00 0.00 C ATOM 1592 NE ARG A 105 -40.461 -20.136 32.679 1.00 0.00 N ATOM 1593 CZ ARG A 105 -41.770 -20.288 32.799 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -42.602 -19.564 32.056 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -42.249 -21.162 33.666 1.00 0.00 N ATOM 0 H ARG A 105 -36.308 -18.967 33.099 1.00 0.00 H new ATOM 0 HA ARG A 105 -35.827 -17.018 30.966 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -38.370 -17.099 30.908 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -37.517 -18.548 30.413 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -37.897 -19.544 32.641 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -38.726 -18.090 33.159 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -40.467 -18.423 31.480 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -39.605 -19.790 30.803 1.00 0.00 H new ATOM 0 HE ARG A 105 -39.866 -20.682 33.301 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -42.232 -18.887 31.389 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -43.610 -19.686 32.153 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -41.611 -21.715 34.238 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -43.257 -21.284 33.763 1.00 0.00 H new ATOM 1609 N LYS A 106 -36.469 -14.959 32.117 1.00 0.00 N ATOM 1610 CA LYS A 106 -36.685 -13.728 32.848 1.00 0.00 C ATOM 1611 C LYS A 106 -38.179 -13.514 33.146 1.00 0.00 C ATOM 1612 O LYS A 106 -39.046 -13.987 32.399 1.00 0.00 O ATOM 1613 CB LYS A 106 -36.122 -12.531 32.078 1.00 0.00 C ATOM 1614 CG LYS A 106 -36.846 -12.222 30.784 1.00 0.00 C ATOM 1615 CD LYS A 106 -36.335 -10.933 30.159 1.00 0.00 C ATOM 1616 CE LYS A 106 -34.838 -10.993 29.890 1.00 0.00 C ATOM 1617 NZ LYS A 106 -34.365 -9.780 29.182 1.00 0.00 N ATOM 0 H LYS A 106 -36.124 -14.836 31.165 1.00 0.00 H new ATOM 0 HA LYS A 106 -36.156 -13.811 33.797 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -36.160 -11.651 32.720 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -35.071 -12.719 31.856 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -36.712 -13.046 30.084 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -37.916 -12.137 30.975 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -36.865 -10.746 29.225 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -36.552 -10.096 30.822 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -34.302 -11.098 30.833 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -34.609 -11.876 29.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -33.367 -9.607 29.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -34.458 -9.919 28.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -34.937 -8.962 29.474 1.00 0.00 H new