USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 515 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 26 CYS SG : rot 112:sc= -0.0352 USER MOD Set 1.2: A 28 CYS SG : rot -170:sc= 1.13 USER MOD Set 1.3: A 53 CYS SG : rot 128:sc= -1.18 USER MOD Set 1.4: A 58 CYS SG : rot 145:sc= -0.281 USER MOD Set 2.1: A 8 CYS SG : rot -145:sc= -0.207 USER MOD Set 2.2: A 11 CYS SG : rot -129:sc= -0.823 USER MOD Set 2.3: A 15 TYR OH : rot 30:sc= -0.789 USER MOD Set 2.4: A 31 CYS SG : rot -48:sc= 0.169 USER MOD Set 2.5: A 34 CYS SG : rot 65:sc= 0.854 USER MOD Single : A 7 SER OG : rot 180:sc= -0.823 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.6!) USER MOD Single : A 20 MET CE :methyl -107:sc= -0.683 (180deg=-3.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.29) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -126:sc= -2.37! USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= -0.0747 (180deg=-0.388) USER MOD Single : A 49 THR OG1 : rot -120:sc= -0.0958 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -13.1! C(o=-13!,f=-5.3!) USER MOD Single : A 67 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.33) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.284 -5.725 0.993 1.00 0.00 N ATOM 92 CA SER A 7 -14.296 -4.267 1.053 1.00 0.00 C ATOM 93 C SER A 7 -13.045 -3.687 0.401 1.00 0.00 C ATOM 94 O SER A 7 -13.105 -3.127 -0.694 1.00 0.00 O ATOM 95 CB SER A 7 -14.394 -3.797 2.506 1.00 0.00 C ATOM 96 OG SER A 7 -15.525 -2.966 2.699 1.00 0.00 O ATOM 0 HA SER A 7 -15.168 -3.911 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.457 -4.661 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.489 -3.253 2.777 1.00 0.00 H new ATOM 0 HG SER A 7 -15.565 -2.681 3.636 1.00 0.00 H new ATOM 102 N CYS A 8 -11.913 -3.823 1.082 1.00 0.00 N ATOM 103 CA CYS A 8 -10.647 -3.312 0.571 1.00 0.00 C ATOM 104 C CYS A 8 -10.490 -3.631 -0.913 1.00 0.00 C ATOM 105 O CYS A 8 -11.012 -4.632 -1.402 1.00 0.00 O ATOM 106 CB CYS A 8 -9.477 -3.907 1.358 1.00 0.00 C ATOM 107 SG CYS A 8 -7.889 -3.059 1.087 1.00 0.00 S ATOM 0 H CYS A 8 -11.846 -4.283 1.990 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.646 -2.229 0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.716 -3.877 2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.367 -4.957 1.086 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.921 -3.926 1.132 1.00 0.00 H new ATOM 112 N LYS A 9 -9.766 -2.774 -1.624 1.00 0.00 N ATOM 113 CA LYS A 9 -9.538 -2.962 -3.051 1.00 0.00 C ATOM 114 C LYS A 9 -8.047 -3.075 -3.353 1.00 0.00 C ATOM 115 O LYS A 9 -7.614 -2.847 -4.484 1.00 0.00 O ATOM 116 CB LYS A 9 -10.144 -1.802 -3.844 1.00 0.00 C ATOM 117 CG LYS A 9 -11.214 -1.039 -3.083 1.00 0.00 C ATOM 118 CD LYS A 9 -12.240 -0.430 -4.023 1.00 0.00 C ATOM 119 CE LYS A 9 -13.614 -0.353 -3.373 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.538 0.531 -4.136 1.00 0.00 N ATOM 0 H LYS A 9 -9.326 -1.940 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.023 -3.891 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.349 -1.112 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.573 -2.190 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.713 -1.710 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.749 -0.251 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.918 0.569 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.300 -1.026 -4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.041 -1.354 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.513 0.020 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.463 0.558 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.143 1.492 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.654 0.161 -5.101 1.00 0.00 H new ATOM 134 N LEU A 10 -7.267 -3.428 -2.338 1.00 0.00 N ATOM 135 CA LEU A 10 -5.824 -3.573 -2.496 1.00 0.00 C ATOM 136 C LEU A 10 -5.387 -5.007 -2.216 1.00 0.00 C ATOM 137 O LEU A 10 -4.326 -5.443 -2.665 1.00 0.00 O ATOM 138 CB LEU A 10 -5.090 -2.611 -1.559 1.00 0.00 C ATOM 139 CG LEU A 10 -5.071 -1.143 -1.985 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.831 -0.242 -0.784 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.007 -0.911 -3.049 1.00 0.00 C ATOM 0 H LEU A 10 -7.609 -3.619 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.570 -3.331 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.548 -2.676 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.060 -2.952 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.043 -0.895 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.821 0.799 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.628 -0.388 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.872 -0.490 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.007 0.139 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.028 -1.176 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.223 -1.530 -3.920 1.00 0.00 H new ATOM 153 N CYS A 11 -6.212 -5.738 -1.474 1.00 0.00 N ATOM 154 CA CYS A 11 -5.912 -7.124 -1.134 1.00 0.00 C ATOM 155 C CYS A 11 -7.133 -8.013 -1.353 1.00 0.00 C ATOM 156 O CYS A 11 -7.020 -9.122 -1.878 1.00 0.00 O ATOM 157 CB CYS A 11 -5.446 -7.226 0.319 1.00 0.00 C ATOM 158 SG CYS A 11 -6.721 -6.781 1.541 1.00 0.00 S ATOM 0 H CYS A 11 -7.095 -5.393 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.111 -7.468 -1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.113 -8.246 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.582 -6.577 0.459 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.237 -5.910 2.376 1.00 0.00 H new ATOM 163 N LEU A 12 -8.298 -7.519 -0.947 1.00 0.00 N ATOM 164 CA LEU A 12 -9.540 -8.269 -1.099 1.00 0.00 C ATOM 165 C LEU A 12 -9.502 -9.556 -0.281 1.00 0.00 C ATOM 166 O LEU A 12 -9.381 -10.649 -0.831 1.00 0.00 O ATOM 167 CB LEU A 12 -9.786 -8.594 -2.573 1.00 0.00 C ATOM 168 CG LEU A 12 -9.466 -7.479 -3.568 1.00 0.00 C ATOM 169 CD1 LEU A 12 -8.230 -7.828 -4.383 1.00 0.00 C ATOM 170 CD2 LEU A 12 -10.655 -7.224 -4.484 1.00 0.00 C ATOM 0 H LEU A 12 -8.408 -6.604 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.357 -7.650 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.192 -9.469 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.833 -8.872 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.261 -6.567 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.018 -7.022 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.379 -7.960 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.406 -8.752 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.409 -6.427 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.891 -8.134 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.518 -6.928 -3.887 1.00 0.00 H new ATOM 182 N GLY A 13 -9.611 -9.417 1.037 1.00 0.00 N ATOM 183 CA GLY A 13 -9.589 -10.577 1.909 1.00 0.00 C ATOM 184 C GLY A 13 -10.763 -10.604 2.867 1.00 0.00 C ATOM 185 O GLY A 13 -10.735 -11.312 3.873 1.00 0.00 O ATOM 0 H GLY A 13 -9.714 -8.522 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.597 -11.483 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.659 -10.582 2.478 1.00 0.00 H new ATOM 189 N GLU A 14 -11.797 -9.828 2.555 1.00 0.00 N ATOM 190 CA GLU A 14 -12.985 -9.764 3.400 1.00 0.00 C ATOM 191 C GLU A 14 -12.620 -9.343 4.821 1.00 0.00 C ATOM 192 O GLU A 14 -11.958 -10.083 5.549 1.00 0.00 O ATOM 193 CB GLU A 14 -13.694 -11.120 3.424 1.00 0.00 C ATOM 194 CG GLU A 14 -15.063 -11.080 4.080 1.00 0.00 C ATOM 195 CD GLU A 14 -15.180 -12.041 5.247 1.00 0.00 C ATOM 196 OE1 GLU A 14 -15.703 -13.157 5.045 1.00 0.00 O ATOM 197 OE2 GLU A 14 -14.750 -11.677 6.362 1.00 0.00 O ATOM 0 H GLU A 14 -11.836 -9.236 1.725 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.659 -9.017 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.801 -11.483 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.068 -11.838 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.266 -10.067 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.824 -11.321 3.338 1.00 0.00 H new ATOM 204 N TYR A 15 -13.058 -8.151 5.207 1.00 0.00 N ATOM 205 CA TYR A 15 -12.776 -7.628 6.539 1.00 0.00 C ATOM 206 C TYR A 15 -13.901 -6.713 7.015 1.00 0.00 C ATOM 207 O TYR A 15 -14.593 -6.073 6.222 1.00 0.00 O ATOM 208 CB TYR A 15 -11.450 -6.866 6.541 1.00 0.00 C ATOM 209 CG TYR A 15 -10.326 -7.607 5.851 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.597 -8.582 6.520 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.992 -7.330 4.531 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.569 -9.260 5.895 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.967 -8.004 3.898 1.00 0.00 C ATOM 214 CZ TYR A 15 -8.258 -8.968 4.583 1.00 0.00 C ATOM 215 OH TYR A 15 -7.234 -9.641 3.955 1.00 0.00 O ATOM 0 H TYR A 15 -13.610 -7.528 4.617 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.704 -8.472 7.224 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.593 -5.903 6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.160 -6.660 7.571 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -9.838 -8.814 7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.544 -6.575 3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.012 -10.015 6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.722 -7.777 2.871 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.155 -10.542 4.332 1.00 0.00 H new ATOM 225 N PRO A 16 -14.089 -6.649 8.341 1.00 0.00 N ATOM 226 CA PRO A 16 -15.127 -5.816 8.954 1.00 0.00 C ATOM 227 C PRO A 16 -14.826 -4.327 8.827 1.00 0.00 C ATOM 228 O PRO A 16 -13.674 -3.929 8.650 1.00 0.00 O ATOM 229 CB PRO A 16 -15.103 -6.243 10.424 1.00 0.00 C ATOM 230 CG PRO A 16 -13.723 -6.759 10.646 1.00 0.00 C ATOM 231 CD PRO A 16 -13.302 -7.385 9.345 1.00 0.00 C ATOM 0 HA PRO A 16 -16.095 -5.952 8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.323 -5.404 11.084 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.850 -7.011 10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.046 -5.953 10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.705 -7.489 11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.231 -7.276 9.175 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.521 -8.453 9.323 1.00 0.00 H new ATOM 239 N VAL A 17 -15.867 -3.507 8.917 1.00 0.00 N ATOM 240 CA VAL A 17 -15.714 -2.060 8.814 1.00 0.00 C ATOM 241 C VAL A 17 -14.991 -1.496 10.031 1.00 0.00 C ATOM 242 O VAL A 17 -14.598 -0.330 10.046 1.00 0.00 O ATOM 243 CB VAL A 17 -17.078 -1.359 8.671 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.498 -0.735 9.993 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.026 -0.312 7.571 1.00 0.00 C ATOM 0 H VAL A 17 -16.827 -3.820 9.061 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.120 -1.868 7.920 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.823 -2.105 8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.464 -0.244 9.873 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.578 -1.512 10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.754 -0.001 10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.998 0.173 7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.269 0.434 7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.773 -0.791 6.625 1.00 0.00 H new ATOM 255 N GLU A 18 -14.817 -2.332 11.050 1.00 0.00 N ATOM 256 CA GLU A 18 -14.139 -1.916 12.272 1.00 0.00 C ATOM 257 C GLU A 18 -12.659 -2.280 12.225 1.00 0.00 C ATOM 258 O GLU A 18 -11.949 -2.167 13.224 1.00 0.00 O ATOM 259 CB GLU A 18 -14.797 -2.565 13.492 1.00 0.00 C ATOM 260 CG GLU A 18 -14.635 -4.075 13.540 1.00 0.00 C ATOM 261 CD GLU A 18 -14.204 -4.573 14.905 1.00 0.00 C ATOM 262 OE1 GLU A 18 -13.333 -3.926 15.524 1.00 0.00 O ATOM 263 OE2 GLU A 18 -14.737 -5.609 15.355 1.00 0.00 O ATOM 0 H GLU A 18 -15.136 -3.301 11.053 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.226 -0.833 12.354 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.370 -2.133 14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.860 -2.322 13.494 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.579 -4.547 13.267 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.899 -4.381 12.797 1.00 0.00 H new ATOM 270 N GLN A 19 -12.200 -2.717 11.056 1.00 0.00 N ATOM 271 CA GLN A 19 -10.803 -3.099 10.879 1.00 0.00 C ATOM 272 C GLN A 19 -10.168 -2.321 9.731 1.00 0.00 C ATOM 273 O GLN A 19 -8.987 -2.493 9.430 1.00 0.00 O ATOM 274 CB GLN A 19 -10.693 -4.601 10.615 1.00 0.00 C ATOM 275 CG GLN A 19 -10.762 -5.447 11.876 1.00 0.00 C ATOM 276 CD GLN A 19 -10.663 -6.932 11.590 1.00 0.00 C ATOM 277 OE1 GLN A 19 -10.421 -7.342 10.454 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.850 -7.748 12.620 1.00 0.00 N ATOM 0 H GLN A 19 -12.774 -2.815 10.219 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.267 -2.859 11.797 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.495 -4.903 9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.752 -4.803 10.103 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.955 -5.156 12.548 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.699 -5.243 12.395 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.048 -7.365 13.544 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.795 -8.758 12.487 1.00 0.00 H new ATOM 287 N MET A 20 -10.960 -1.465 9.093 1.00 0.00 N ATOM 288 CA MET A 20 -10.474 -0.660 7.978 1.00 0.00 C ATOM 289 C MET A 20 -10.390 0.813 8.367 1.00 0.00 C ATOM 290 O MET A 20 -10.817 1.205 9.454 1.00 0.00 O ATOM 291 CB MET A 20 -11.388 -0.828 6.764 1.00 0.00 C ATOM 292 CG MET A 20 -12.241 -2.085 6.814 1.00 0.00 C ATOM 293 SD MET A 20 -12.750 -2.644 5.177 1.00 0.00 S ATOM 294 CE MET A 20 -11.186 -3.212 4.512 1.00 0.00 C ATOM 0 H MET A 20 -11.940 -1.311 9.329 1.00 0.00 H new ATOM 0 HA MET A 20 -9.473 -1.007 7.721 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.041 0.041 6.688 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.778 -0.848 5.861 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.682 -2.880 7.307 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.127 -1.895 7.420 1.00 0.00 H new ATOM 0 HE1 MET A 20 -10.832 -2.506 3.760 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.453 -3.284 5.316 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.320 -4.192 4.055 1.00 0.00 H new ATOM 304 N THR A 21 -9.836 1.626 7.473 1.00 0.00 N ATOM 305 CA THR A 21 -9.696 3.054 7.722 1.00 0.00 C ATOM 306 C THR A 21 -10.038 3.867 6.479 1.00 0.00 C ATOM 307 O THR A 21 -9.579 3.560 5.378 1.00 0.00 O ATOM 308 CB THR A 21 -8.266 3.408 8.175 1.00 0.00 C ATOM 309 OG1 THR A 21 -8.038 2.920 9.502 1.00 0.00 O ATOM 310 CG2 THR A 21 -8.041 4.912 8.137 1.00 0.00 C ATOM 0 H THR A 21 -9.477 1.319 6.569 1.00 0.00 H new ATOM 0 HA THR A 21 -10.395 3.304 8.520 1.00 0.00 H new ATOM 0 HB THR A 21 -7.564 2.935 7.488 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.127 3.147 9.782 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.025 5.136 8.461 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.186 5.276 7.120 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.751 5.403 8.803 1.00 0.00 H new ATOM 318 N THR A 22 -10.846 4.907 6.660 1.00 0.00 N ATOM 319 CA THR A 22 -11.250 5.763 5.553 1.00 0.00 C ATOM 320 C THR A 22 -10.076 6.592 5.042 1.00 0.00 C ATOM 321 O THR A 22 -9.113 6.834 5.770 1.00 0.00 O ATOM 322 CB THR A 22 -12.392 6.711 5.962 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.536 5.952 6.369 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.771 7.631 4.812 1.00 0.00 C ATOM 0 H THR A 22 -11.234 5.176 7.564 1.00 0.00 H new ATOM 0 HA THR A 22 -11.601 5.105 4.758 1.00 0.00 H new ATOM 0 HB THR A 22 -12.046 7.322 6.796 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.258 6.562 6.629 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.580 8.291 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.906 8.228 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.099 7.034 3.961 1.00 0.00 H new ATOM 332 N ILE A 23 -10.164 7.024 3.788 1.00 0.00 N ATOM 333 CA ILE A 23 -9.109 7.826 3.182 1.00 0.00 C ATOM 334 C ILE A 23 -8.999 9.189 3.857 1.00 0.00 C ATOM 335 O ILE A 23 -8.318 9.338 4.872 1.00 0.00 O ATOM 336 CB ILE A 23 -9.353 8.031 1.675 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.118 6.723 0.917 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.450 9.132 1.137 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.741 6.136 1.136 1.00 0.00 C ATOM 0 H ILE A 23 -10.955 6.832 3.173 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.177 7.278 3.320 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.389 8.334 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.868 5.994 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.264 6.899 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.634 9.265 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.661 10.064 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.407 8.856 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.646 5.210 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.985 6.846 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.599 5.928 2.196 1.00 0.00 H new ATOM 351 N ALA A 24 -9.676 10.182 3.289 1.00 0.00 N ATOM 352 CA ALA A 24 -9.658 11.532 3.838 1.00 0.00 C ATOM 353 C ALA A 24 -10.114 12.552 2.800 1.00 0.00 C ATOM 354 O ALA A 24 -9.613 13.676 2.761 1.00 0.00 O ATOM 355 CB ALA A 24 -8.265 11.877 4.343 1.00 0.00 C ATOM 0 H ALA A 24 -10.244 10.076 2.448 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.355 11.567 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.266 12.888 4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.976 11.172 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.554 11.819 3.519 1.00 0.00 H new ATOM 361 N GLN A 25 -11.065 12.153 1.962 1.00 0.00 N ATOM 362 CA GLN A 25 -11.587 13.034 0.923 1.00 0.00 C ATOM 363 C GLN A 25 -12.609 12.307 0.056 1.00 0.00 C ATOM 364 O GLN A 25 -13.662 12.854 -0.273 1.00 0.00 O ATOM 365 CB GLN A 25 -10.445 13.562 0.054 1.00 0.00 C ATOM 366 CG GLN A 25 -10.197 15.053 0.215 1.00 0.00 C ATOM 367 CD GLN A 25 -11.459 15.877 0.048 1.00 0.00 C ATOM 368 OE1 GLN A 25 -11.946 16.066 -1.066 1.00 0.00 O ATOM 369 NE2 GLN A 25 -11.994 16.372 1.158 1.00 0.00 N ATOM 0 H GLN A 25 -11.490 11.226 1.982 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.083 13.874 1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.531 13.021 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.667 13.350 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.772 15.242 1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.458 15.376 -0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.556 16.190 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.843 16.935 1.108 1.00 0.00 H new ATOM 378 N CYS A 26 -12.293 11.070 -0.312 1.00 0.00 N ATOM 379 CA CYS A 26 -13.182 10.267 -1.142 1.00 0.00 C ATOM 380 C CYS A 26 -14.094 9.399 -0.280 1.00 0.00 C ATOM 381 O CYS A 26 -15.194 9.036 -0.694 1.00 0.00 O ATOM 382 CB CYS A 26 -12.370 9.386 -2.093 1.00 0.00 C ATOM 383 SG CYS A 26 -11.310 8.166 -1.253 1.00 0.00 S ATOM 0 H CYS A 26 -11.426 10.602 -0.048 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.802 10.945 -1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.055 8.860 -2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.746 10.024 -2.719 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.758 6.968 -1.487 1.00 0.00 H new ATOM 388 N GLN A 27 -13.626 9.068 0.919 1.00 0.00 N ATOM 389 CA GLN A 27 -14.400 8.242 1.839 1.00 0.00 C ATOM 390 C GLN A 27 -14.442 6.794 1.364 1.00 0.00 C ATOM 391 O GLN A 27 -15.517 6.224 1.175 1.00 0.00 O ATOM 392 CB GLN A 27 -15.821 8.789 1.977 1.00 0.00 C ATOM 393 CG GLN A 27 -15.877 10.297 2.161 1.00 0.00 C ATOM 394 CD GLN A 27 -15.728 10.714 3.611 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.716 10.962 4.303 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.488 10.792 4.080 1.00 0.00 N ATOM 0 H GLN A 27 -12.716 9.359 1.276 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.912 8.271 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.393 8.518 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.305 8.309 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.087 10.761 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.825 10.671 1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.698 10.578 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.326 11.066 5.049 1.00 0.00 H new ATOM 405 N CYS A 28 -13.267 6.203 1.173 1.00 0.00 N ATOM 406 CA CYS A 28 -13.170 4.822 0.719 1.00 0.00 C ATOM 407 C CYS A 28 -12.837 3.889 1.881 1.00 0.00 C ATOM 408 O CYS A 28 -12.741 4.323 3.029 1.00 0.00 O ATOM 409 CB CYS A 28 -12.106 4.694 -0.372 1.00 0.00 C ATOM 410 SG CYS A 28 -12.623 5.343 -1.994 1.00 0.00 S ATOM 0 H CYS A 28 -12.368 6.660 1.326 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.138 4.533 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.207 5.221 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.838 3.643 -0.482 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.749 5.005 -2.895 1.00 0.00 H new ATOM 415 N ILE A 29 -12.663 2.609 1.573 1.00 0.00 N ATOM 416 CA ILE A 29 -12.339 1.616 2.590 1.00 0.00 C ATOM 417 C ILE A 29 -11.089 0.829 2.212 1.00 0.00 C ATOM 418 O ILE A 29 -11.005 0.259 1.124 1.00 0.00 O ATOM 419 CB ILE A 29 -13.505 0.633 2.809 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.665 0.321 4.298 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.274 -0.645 2.016 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.175 1.491 5.109 1.00 0.00 C ATOM 0 H ILE A 29 -12.741 2.235 0.627 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.156 2.161 3.516 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.425 1.097 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.352 -0.518 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.703 0.003 4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.106 -1.330 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.204 -0.407 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.347 -1.114 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.264 1.197 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.477 2.324 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.152 1.796 4.733 1.00 0.00 H new ATOM 434 N PHE A 30 -10.118 0.801 3.120 1.00 0.00 N ATOM 435 CA PHE A 30 -8.871 0.082 2.882 1.00 0.00 C ATOM 436 C PHE A 30 -8.245 -0.368 4.199 1.00 0.00 C ATOM 437 O PHE A 30 -8.010 0.441 5.097 1.00 0.00 O ATOM 438 CB PHE A 30 -7.887 0.965 2.113 1.00 0.00 C ATOM 439 CG PHE A 30 -8.341 1.293 0.719 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.343 0.321 -0.269 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.763 2.572 0.396 1.00 0.00 C ATOM 442 CE1 PHE A 30 -8.760 0.618 -1.553 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.181 2.875 -0.886 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.178 1.898 -1.862 1.00 0.00 C ATOM 0 H PHE A 30 -10.171 1.267 4.026 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.098 -0.802 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.735 1.893 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.921 0.462 2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.015 -0.680 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.765 3.341 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.759 -0.149 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.510 3.876 -1.124 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.502 2.134 -2.865 1.00 0.00 H new ATOM 454 N CYS A 31 -7.976 -1.666 4.306 1.00 0.00 N ATOM 455 CA CYS A 31 -7.378 -2.226 5.511 1.00 0.00 C ATOM 456 C CYS A 31 -6.041 -1.558 5.816 1.00 0.00 C ATOM 457 O CYS A 31 -5.176 -1.445 4.947 1.00 0.00 O ATOM 458 CB CYS A 31 -7.181 -3.736 5.354 1.00 0.00 C ATOM 459 SG CYS A 31 -5.789 -4.196 4.273 1.00 0.00 S ATOM 0 H CYS A 31 -8.163 -2.349 3.572 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.057 -2.039 6.343 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.023 -4.175 6.339 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.097 -4.171 4.954 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.849 -3.508 3.172 1.00 0.00 H new ATOM 464 N THR A 32 -5.877 -1.115 7.059 1.00 0.00 N ATOM 465 CA THR A 32 -4.647 -0.456 7.480 1.00 0.00 C ATOM 466 C THR A 32 -3.434 -1.059 6.781 1.00 0.00 C ATOM 467 O THR A 32 -2.587 -0.336 6.252 1.00 0.00 O ATOM 468 CB THR A 32 -4.448 -0.557 9.005 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.721 -0.608 9.661 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.650 0.628 9.526 1.00 0.00 C ATOM 0 H THR A 32 -6.581 -1.201 7.792 1.00 0.00 H new ATOM 0 HA THR A 32 -4.740 0.594 7.202 1.00 0.00 H new ATOM 0 HB THR A 32 -3.892 -1.470 9.218 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.587 -0.674 10.630 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.522 0.535 10.604 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.672 0.648 9.045 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.183 1.552 9.302 1.00 0.00 H new ATOM 478 N LEU A 33 -3.356 -2.384 6.780 1.00 0.00 N ATOM 479 CA LEU A 33 -2.245 -3.085 6.143 1.00 0.00 C ATOM 480 C LEU A 33 -1.872 -2.425 4.819 1.00 0.00 C ATOM 481 O LEU A 33 -0.802 -1.832 4.689 1.00 0.00 O ATOM 482 CB LEU A 33 -2.608 -4.552 5.911 1.00 0.00 C ATOM 483 CG LEU A 33 -2.034 -5.553 6.915 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.091 -6.569 7.320 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.815 -6.253 6.333 1.00 0.00 C ATOM 0 H LEU A 33 -4.048 -2.996 7.213 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.384 -3.032 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.694 -4.642 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.272 -4.835 4.914 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.724 -5.007 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.664 -7.273 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.935 -6.053 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.433 -7.110 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.420 -6.961 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.100 -6.786 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.050 -5.514 6.094 1.00 0.00 H new ATOM 497 N CYS A 34 -2.764 -2.532 3.840 1.00 0.00 N ATOM 498 CA CYS A 34 -2.530 -1.944 2.526 1.00 0.00 C ATOM 499 C CYS A 34 -2.433 -0.424 2.620 1.00 0.00 C ATOM 500 O CYS A 34 -1.419 0.168 2.246 1.00 0.00 O ATOM 501 CB CYS A 34 -3.653 -2.336 1.563 1.00 0.00 C ATOM 502 SG CYS A 34 -4.062 -4.111 1.581 1.00 0.00 S ATOM 0 H CYS A 34 -3.655 -3.020 3.931 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.583 -2.328 2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.547 -1.765 1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.366 -2.051 0.551 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.539 -4.435 2.746 1.00 0.00 H new ATOM 507 N LEU A 35 -3.493 0.201 3.119 1.00 0.00 N ATOM 508 CA LEU A 35 -3.527 1.653 3.262 1.00 0.00 C ATOM 509 C LEU A 35 -2.286 2.158 3.992 1.00 0.00 C ATOM 510 O LEU A 35 -1.961 3.345 3.939 1.00 0.00 O ATOM 511 CB LEU A 35 -4.786 2.081 4.018 1.00 0.00 C ATOM 512 CG LEU A 35 -5.079 3.582 4.040 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.025 4.156 2.633 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.434 3.852 4.678 1.00 0.00 C ATOM 0 H LEU A 35 -4.340 -0.274 3.431 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.542 2.091 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.642 1.571 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.703 1.732 5.047 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.314 4.074 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.236 5.225 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.032 3.995 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.768 3.660 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.626 4.925 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.213 3.348 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.436 3.476 5.701 1.00 0.00 H new ATOM 526 N LYS A 36 -1.594 1.249 4.671 1.00 0.00 N ATOM 527 CA LYS A 36 -0.387 1.600 5.409 1.00 0.00 C ATOM 528 C LYS A 36 0.848 1.480 4.520 1.00 0.00 C ATOM 529 O LYS A 36 1.447 2.484 4.138 1.00 0.00 O ATOM 530 CB LYS A 36 -0.235 0.699 6.636 1.00 0.00 C ATOM 531 CG LYS A 36 1.046 0.945 7.416 1.00 0.00 C ATOM 532 CD LYS A 36 1.256 -0.110 8.489 1.00 0.00 C ATOM 533 CE LYS A 36 0.266 0.052 9.631 1.00 0.00 C ATOM 534 NZ LYS A 36 -0.043 -1.249 10.287 1.00 0.00 N ATOM 0 H LYS A 36 -1.849 0.263 4.725 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.479 2.636 5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.088 0.852 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.262 -0.343 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.895 0.944 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.009 1.932 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.149 -1.102 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.273 -0.040 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.673 0.743 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.655 0.496 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.721 -1.095 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.455 -1.901 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.832 -1.661 10.671 1.00 0.00 H new ATOM 548 N GLN A 37 1.220 0.245 4.196 1.00 0.00 N ATOM 549 CA GLN A 37 2.382 -0.004 3.352 1.00 0.00 C ATOM 550 C GLN A 37 2.383 0.920 2.140 1.00 0.00 C ATOM 551 O GLN A 37 3.424 1.150 1.522 1.00 0.00 O ATOM 552 CB GLN A 37 2.403 -1.464 2.895 1.00 0.00 C ATOM 553 CG GLN A 37 3.623 -2.233 3.373 1.00 0.00 C ATOM 554 CD GLN A 37 3.331 -3.096 4.585 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.758 -2.787 5.698 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.600 -4.185 4.375 1.00 0.00 N ATOM 0 H GLN A 37 0.734 -0.597 4.505 1.00 0.00 H new ATOM 0 HA GLN A 37 3.277 0.198 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.504 -1.963 3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.367 -1.496 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.991 -2.863 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.419 -1.529 3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.267 -4.402 3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.372 -4.804 5.153 1.00 0.00 H new ATOM 565 N TYR A 38 1.211 1.448 1.803 1.00 0.00 N ATOM 566 CA TYR A 38 1.077 2.346 0.662 1.00 0.00 C ATOM 567 C TYR A 38 1.493 3.766 1.033 1.00 0.00 C ATOM 568 O TYR A 38 2.324 4.377 0.363 1.00 0.00 O ATOM 569 CB TYR A 38 -0.366 2.343 0.151 1.00 0.00 C ATOM 570 CG TYR A 38 -0.917 3.726 -0.113 1.00 0.00 C ATOM 571 CD1 TYR A 38 -2.107 4.144 0.472 1.00 0.00 C ATOM 572 CD2 TYR A 38 -0.250 4.615 -0.947 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.616 5.405 0.233 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.750 5.879 -1.190 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.933 6.270 -0.598 1.00 0.00 C ATOM 576 OH TYR A 38 -2.436 7.528 -0.839 1.00 0.00 O ATOM 0 H TYR A 38 0.340 1.270 2.304 1.00 0.00 H new ATOM 0 HA TYR A 38 1.737 1.988 -0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.416 1.759 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.000 1.842 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.643 3.471 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.676 4.312 -1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.543 5.713 0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.218 6.558 -1.840 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.518 7.668 -1.805 1.00 0.00 H new ATOM 586 N VAL A 39 0.909 4.284 2.110 1.00 0.00 N ATOM 587 CA VAL A 39 1.220 5.631 2.574 1.00 0.00 C ATOM 588 C VAL A 39 2.517 5.652 3.374 1.00 0.00 C ATOM 589 O VAL A 39 3.420 6.439 3.091 1.00 0.00 O ATOM 590 CB VAL A 39 0.084 6.201 3.444 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.206 6.296 2.644 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.113 5.348 4.687 1.00 0.00 C ATOM 0 H VAL A 39 0.219 3.791 2.677 1.00 0.00 H new ATOM 0 HA VAL A 39 1.335 6.252 1.686 1.00 0.00 H new ATOM 0 HB VAL A 39 0.362 7.206 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.997 6.701 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.055 6.952 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.492 5.304 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.919 5.765 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.369 4.330 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.808 5.337 5.270 1.00 0.00 H new ATOM 602 N GLU A 40 2.604 4.779 4.373 1.00 0.00 N ATOM 603 CA GLU A 40 3.791 4.698 5.215 1.00 0.00 C ATOM 604 C GLU A 40 5.054 4.973 4.402 1.00 0.00 C ATOM 605 O GLU A 40 6.015 5.556 4.907 1.00 0.00 O ATOM 606 CB GLU A 40 3.885 3.319 5.871 1.00 0.00 C ATOM 607 CG GLU A 40 4.427 3.355 7.290 1.00 0.00 C ATOM 608 CD GLU A 40 5.859 2.867 7.381 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.496 2.696 6.320 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.344 2.655 8.512 1.00 0.00 O ATOM 0 H GLU A 40 1.867 4.118 4.619 1.00 0.00 H new ATOM 0 HA GLU A 40 3.706 5.457 5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.895 2.863 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.525 2.680 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.370 4.375 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.796 2.740 7.931 1.00 0.00 H new ATOM 617 N LEU A 41 5.043 4.552 3.143 1.00 0.00 N ATOM 618 CA LEU A 41 6.186 4.752 2.259 1.00 0.00 C ATOM 619 C LEU A 41 6.164 6.149 1.648 1.00 0.00 C ATOM 620 O LEU A 41 7.192 6.824 1.575 1.00 0.00 O ATOM 621 CB LEU A 41 6.190 3.698 1.150 1.00 0.00 C ATOM 622 CG LEU A 41 6.888 2.379 1.481 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.367 2.609 1.751 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.224 1.709 2.677 1.00 0.00 C ATOM 0 H LEU A 41 4.255 4.070 2.711 1.00 0.00 H new ATOM 0 HA LEU A 41 7.094 4.649 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.157 3.481 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.667 4.128 0.269 1.00 0.00 H new ATOM 0 HG LEU A 41 6.796 1.717 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.846 1.658 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.835 3.044 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.481 3.290 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.734 0.771 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.284 2.368 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.178 1.507 2.447 1.00 0.00 H new ATOM 636 N LEU A 42 4.985 6.580 1.212 1.00 0.00 N ATOM 637 CA LEU A 42 4.828 7.899 0.609 1.00 0.00 C ATOM 638 C LEU A 42 4.792 8.986 1.679 1.00 0.00 C ATOM 639 O LEU A 42 5.678 9.838 1.741 1.00 0.00 O ATOM 640 CB LEU A 42 3.548 7.948 -0.229 1.00 0.00 C ATOM 641 CG LEU A 42 3.575 7.165 -1.541 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.161 6.836 -1.995 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.313 7.949 -2.616 1.00 0.00 C ATOM 0 H LEU A 42 4.124 6.035 1.265 1.00 0.00 H new ATOM 0 HA LEU A 42 5.686 8.081 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.725 7.572 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.326 8.991 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 42 4.108 6.229 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.200 6.278 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.665 6.233 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.603 7.760 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.322 7.376 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.809 8.901 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.338 8.133 -2.293 1.00 0.00 H new ATOM 655 N ILE A 43 3.763 8.949 2.518 1.00 0.00 N ATOM 656 CA ILE A 43 3.613 9.928 3.587 1.00 0.00 C ATOM 657 C ILE A 43 4.962 10.275 4.207 1.00 0.00 C ATOM 658 O ILE A 43 5.158 11.378 4.717 1.00 0.00 O ATOM 659 CB ILE A 43 2.669 9.417 4.691 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.569 10.444 4.968 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.453 9.117 5.960 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.291 10.181 4.204 1.00 0.00 C ATOM 0 H ILE A 43 3.020 8.251 2.478 1.00 0.00 H new ATOM 0 HA ILE A 43 3.181 10.822 3.138 1.00 0.00 H new ATOM 0 HB ILE A 43 2.200 8.494 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.350 10.450 6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.938 11.437 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.772 8.757 6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.203 8.354 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.946 10.025 6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.444 10.948 4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.496 10.204 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.101 9.202 4.478 1.00 0.00 H new ATOM 674 N LYS A 44 5.891 9.327 4.158 1.00 0.00 N ATOM 675 CA LYS A 44 7.225 9.530 4.712 1.00 0.00 C ATOM 676 C LYS A 44 8.071 10.397 3.786 1.00 0.00 C ATOM 677 O LYS A 44 8.610 11.423 4.201 1.00 0.00 O ATOM 678 CB LYS A 44 7.915 8.185 4.941 1.00 0.00 C ATOM 679 CG LYS A 44 8.173 7.875 6.405 1.00 0.00 C ATOM 680 CD LYS A 44 6.891 7.931 7.221 1.00 0.00 C ATOM 681 CE LYS A 44 6.280 6.548 7.393 1.00 0.00 C ATOM 682 NZ LYS A 44 6.006 6.237 8.824 1.00 0.00 N ATOM 0 H LYS A 44 5.745 8.408 3.739 1.00 0.00 H new ATOM 0 HA LYS A 44 7.120 10.044 5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.300 7.393 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.863 8.177 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.620 6.885 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.893 8.587 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.100 8.362 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.174 8.588 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.352 6.487 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.956 5.798 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.885 5.211 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.804 6.559 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.138 6.724 9.125 1.00 0.00 H new ATOM 696 N GLU A 45 8.183 9.979 2.529 1.00 0.00 N ATOM 697 CA GLU A 45 8.964 10.719 1.544 1.00 0.00 C ATOM 698 C GLU A 45 8.423 12.135 1.375 1.00 0.00 C ATOM 699 O GLU A 45 9.052 13.106 1.793 1.00 0.00 O ATOM 700 CB GLU A 45 8.950 9.991 0.198 1.00 0.00 C ATOM 701 CG GLU A 45 10.252 9.272 -0.118 1.00 0.00 C ATOM 702 CD GLU A 45 10.235 7.819 0.315 1.00 0.00 C ATOM 703 OE1 GLU A 45 9.525 7.016 -0.327 1.00 0.00 O ATOM 704 OE2 GLU A 45 10.931 7.484 1.296 1.00 0.00 O ATOM 0 H GLU A 45 7.743 9.132 2.169 1.00 0.00 H new ATOM 0 HA GLU A 45 9.991 10.781 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.135 9.267 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.741 10.711 -0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.442 9.326 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.076 9.785 0.378 1.00 0.00 H new ATOM 711 N GLY A 46 7.251 12.245 0.755 1.00 0.00 N ATOM 712 CA GLY A 46 6.645 13.547 0.540 1.00 0.00 C ATOM 713 C GLY A 46 7.378 14.361 -0.508 1.00 0.00 C ATOM 714 O GLY A 46 8.093 15.309 -0.180 1.00 0.00 O ATOM 0 H GLY A 46 6.711 11.457 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.607 13.415 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.632 14.098 1.480 1.00 0.00 H new ATOM 718 N LEU A 47 7.204 13.991 -1.771 1.00 0.00 N ATOM 719 CA LEU A 47 7.856 14.693 -2.872 1.00 0.00 C ATOM 720 C LEU A 47 6.826 15.356 -3.781 1.00 0.00 C ATOM 721 O LEU A 47 7.118 16.352 -4.441 1.00 0.00 O ATOM 722 CB LEU A 47 8.720 13.724 -3.680 1.00 0.00 C ATOM 723 CG LEU A 47 8.038 12.430 -4.126 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.835 11.762 -5.237 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.867 11.484 -2.947 1.00 0.00 C ATOM 0 H LEU A 47 6.617 13.208 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 47 8.493 15.470 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.083 14.244 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.594 13.464 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 47 7.050 12.677 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.335 10.843 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.906 12.437 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.836 11.527 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.380 10.568 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.844 11.243 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.254 11.962 -2.183 1.00 0.00 H new ATOM 737 N GLU A 48 5.621 14.796 -3.808 1.00 0.00 N ATOM 738 CA GLU A 48 4.548 15.335 -4.636 1.00 0.00 C ATOM 739 C GLU A 48 3.382 14.354 -4.720 1.00 0.00 C ATOM 740 O GLU A 48 2.241 14.747 -4.961 1.00 0.00 O ATOM 741 CB GLU A 48 5.067 15.650 -6.040 1.00 0.00 C ATOM 742 CG GLU A 48 6.062 14.629 -6.566 1.00 0.00 C ATOM 743 CD GLU A 48 5.703 14.123 -7.949 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.360 14.547 -8.923 1.00 0.00 O ATOM 745 OE2 GLU A 48 4.767 13.305 -8.059 1.00 0.00 O ATOM 0 H GLU A 48 5.363 13.971 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 48 4.193 16.256 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.222 15.708 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.538 16.633 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.056 15.076 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.111 13.786 -5.876 1.00 0.00 H new ATOM 752 N THR A 49 3.678 13.073 -4.523 1.00 0.00 N ATOM 753 CA THR A 49 2.657 12.035 -4.578 1.00 0.00 C ATOM 754 C THR A 49 1.395 12.464 -3.840 1.00 0.00 C ATOM 755 O THR A 49 0.300 11.979 -4.126 1.00 0.00 O ATOM 756 CB THR A 49 3.167 10.712 -3.975 1.00 0.00 C ATOM 757 OG1 THR A 49 4.493 10.441 -4.439 1.00 0.00 O ATOM 758 CG2 THR A 49 2.248 9.558 -4.347 1.00 0.00 C ATOM 0 H THR A 49 4.618 12.730 -4.324 1.00 0.00 H new ATOM 0 HA THR A 49 2.422 11.879 -5.631 1.00 0.00 H new ATOM 0 HB THR A 49 3.176 10.813 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.503 9.588 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.628 8.635 -3.910 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.246 9.754 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.211 9.458 -5.432 1.00 0.00 H new ATOM 766 N ALA A 50 1.555 13.378 -2.887 1.00 0.00 N ATOM 767 CA ALA A 50 0.427 13.875 -2.109 1.00 0.00 C ATOM 768 C ALA A 50 -0.413 12.725 -1.563 1.00 0.00 C ATOM 769 O ALA A 50 -1.566 12.916 -1.176 1.00 0.00 O ATOM 770 CB ALA A 50 -0.431 14.803 -2.956 1.00 0.00 C ATOM 0 H ALA A 50 2.454 13.788 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 50 0.821 14.436 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.270 15.166 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.170 15.649 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.809 14.260 -3.822 1.00 0.00 H new ATOM 776 N ILE A 51 0.172 11.532 -1.537 1.00 0.00 N ATOM 777 CA ILE A 51 -0.525 10.353 -1.038 1.00 0.00 C ATOM 778 C ILE A 51 -2.006 10.397 -1.394 1.00 0.00 C ATOM 779 O ILE A 51 -2.829 10.874 -0.612 1.00 0.00 O ATOM 780 CB ILE A 51 -0.378 10.216 0.489 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.091 10.014 0.867 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.226 9.061 1.002 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.004 11.101 0.342 1.00 0.00 C ATOM 0 H ILE A 51 1.125 11.357 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.065 9.489 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.730 11.136 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.176 9.972 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.428 9.051 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.111 8.977 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.273 9.244 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.902 8.134 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.030 10.894 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.948 11.129 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.693 12.064 0.746 1.00 0.00 H new ATOM 795 N SER A 52 -2.340 9.894 -2.578 1.00 0.00 N ATOM 796 CA SER A 52 -3.724 9.878 -3.038 1.00 0.00 C ATOM 797 C SER A 52 -4.306 8.470 -2.963 1.00 0.00 C ATOM 798 O SER A 52 -3.574 7.480 -3.002 1.00 0.00 O ATOM 799 CB SER A 52 -3.812 10.401 -4.473 1.00 0.00 C ATOM 800 OG SER A 52 -4.269 9.392 -5.357 1.00 0.00 O ATOM 0 H SER A 52 -1.672 9.492 -3.236 1.00 0.00 H new ATOM 0 HA SER A 52 -4.305 10.528 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.488 11.255 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.833 10.755 -4.795 1.00 0.00 H new ATOM 0 HG SER A 52 -4.318 9.752 -6.267 1.00 0.00 H new ATOM 806 N CYS A 53 -5.626 8.387 -2.851 1.00 0.00 N ATOM 807 CA CYS A 53 -6.309 7.101 -2.769 1.00 0.00 C ATOM 808 C CYS A 53 -5.582 6.045 -3.596 1.00 0.00 C ATOM 809 O CYS A 53 -5.188 6.280 -4.739 1.00 0.00 O ATOM 810 CB CYS A 53 -7.756 7.237 -3.249 1.00 0.00 C ATOM 811 SG CYS A 53 -8.768 5.745 -2.989 1.00 0.00 S ATOM 0 H CYS A 53 -6.246 9.196 -2.815 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.308 6.783 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.223 8.075 -2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.754 7.481 -4.311 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.863 6.066 -2.366 1.00 0.00 H new ATOM 816 N PRO A 54 -5.401 4.854 -3.007 1.00 0.00 N ATOM 817 CA PRO A 54 -4.721 3.738 -3.672 1.00 0.00 C ATOM 818 C PRO A 54 -5.545 3.157 -4.816 1.00 0.00 C ATOM 819 O PRO A 54 -5.096 2.251 -5.518 1.00 0.00 O ATOM 820 CB PRO A 54 -4.557 2.706 -2.553 1.00 0.00 C ATOM 821 CG PRO A 54 -5.650 3.015 -1.589 1.00 0.00 C ATOM 822 CD PRO A 54 -5.844 4.505 -1.647 1.00 0.00 C ATOM 0 HA PRO A 54 -3.780 4.046 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.643 1.689 -2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.578 2.787 -2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.567 2.491 -1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.384 2.695 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.885 4.781 -1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.253 5.017 -0.888 1.00 0.00 H new ATOM 830 N ASP A 55 -6.751 3.684 -4.998 1.00 0.00 N ATOM 831 CA ASP A 55 -7.636 3.219 -6.059 1.00 0.00 C ATOM 832 C ASP A 55 -7.675 4.215 -7.212 1.00 0.00 C ATOM 833 O ASP A 55 -8.074 5.366 -7.039 1.00 0.00 O ATOM 834 CB ASP A 55 -9.048 2.998 -5.512 1.00 0.00 C ATOM 835 CG ASP A 55 -9.511 1.562 -5.666 1.00 0.00 C ATOM 836 OD1 ASP A 55 -8.741 0.649 -5.301 1.00 0.00 O ATOM 837 OD2 ASP A 55 -10.642 1.352 -6.150 1.00 0.00 O ATOM 0 H ASP A 55 -7.138 4.433 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.246 2.273 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.073 3.274 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.743 3.658 -6.031 1.00 0.00 H new ATOM 842 N ALA A 56 -7.254 3.766 -8.390 1.00 0.00 N ATOM 843 CA ALA A 56 -7.240 4.618 -9.573 1.00 0.00 C ATOM 844 C ALA A 56 -8.657 5.000 -9.991 1.00 0.00 C ATOM 845 O ALA A 56 -8.922 6.149 -10.340 1.00 0.00 O ATOM 846 CB ALA A 56 -6.520 3.921 -10.717 1.00 0.00 C ATOM 0 H ALA A 56 -6.918 2.816 -8.551 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.703 5.534 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.517 4.569 -11.594 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.493 3.705 -10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.033 2.989 -10.956 1.00 0.00 H new ATOM 852 N ALA A 57 -9.561 4.027 -9.954 1.00 0.00 N ATOM 853 CA ALA A 57 -10.951 4.261 -10.328 1.00 0.00 C ATOM 854 C ALA A 57 -11.543 5.423 -9.537 1.00 0.00 C ATOM 855 O ALA A 57 -12.287 6.241 -10.079 1.00 0.00 O ATOM 856 CB ALA A 57 -11.775 3.001 -10.115 1.00 0.00 C ATOM 0 H ALA A 57 -9.356 3.069 -9.669 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.978 4.524 -11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.810 3.191 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.373 2.195 -10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.734 2.712 -9.065 1.00 0.00 H new ATOM 862 N CYS A 58 -11.209 5.490 -8.252 1.00 0.00 N ATOM 863 CA CYS A 58 -11.709 6.550 -7.386 1.00 0.00 C ATOM 864 C CYS A 58 -11.887 7.850 -8.165 1.00 0.00 C ATOM 865 O CYS A 58 -10.946 8.621 -8.359 1.00 0.00 O ATOM 866 CB CYS A 58 -10.752 6.772 -6.213 1.00 0.00 C ATOM 867 SG CYS A 58 -11.427 7.829 -4.892 1.00 0.00 S ATOM 0 H CYS A 58 -10.594 4.822 -7.788 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.681 6.242 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.484 5.804 -5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.832 7.221 -6.588 1.00 0.00 H new ATOM 0 HG CYS A 58 -10.992 7.414 -3.739 1.00 0.00 H new ATOM 872 N PRO A 59 -13.123 8.102 -8.621 1.00 0.00 N ATOM 873 CA PRO A 59 -13.454 9.309 -9.385 1.00 0.00 C ATOM 874 C PRO A 59 -13.409 10.568 -8.527 1.00 0.00 C ATOM 875 O PRO A 59 -13.710 11.665 -8.999 1.00 0.00 O ATOM 876 CB PRO A 59 -14.882 9.041 -9.868 1.00 0.00 C ATOM 877 CG PRO A 59 -15.444 8.083 -8.876 1.00 0.00 C ATOM 878 CD PRO A 59 -14.292 7.229 -8.427 1.00 0.00 C ATOM 0 HA PRO A 59 -12.743 9.490 -10.191 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.466 9.960 -9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.887 8.619 -10.873 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.890 8.611 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.230 7.474 -9.323 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.399 6.926 -7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.214 6.316 -9.018 1.00 0.00 H new ATOM 886 N LYS A 60 -13.029 10.405 -7.264 1.00 0.00 N ATOM 887 CA LYS A 60 -12.942 11.530 -6.340 1.00 0.00 C ATOM 888 C LYS A 60 -11.489 11.828 -5.982 1.00 0.00 C ATOM 889 O LYS A 60 -11.183 12.882 -5.426 1.00 0.00 O ATOM 890 CB LYS A 60 -13.741 11.234 -5.068 1.00 0.00 C ATOM 891 CG LYS A 60 -15.205 10.922 -5.329 1.00 0.00 C ATOM 892 CD LYS A 60 -16.118 11.759 -4.447 1.00 0.00 C ATOM 893 CE LYS A 60 -17.407 11.019 -4.120 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.463 11.941 -3.618 1.00 0.00 N ATOM 0 H LYS A 60 -12.776 9.505 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.364 12.406 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.285 10.390 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.674 12.092 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.437 11.110 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.391 9.864 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.599 12.015 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.353 12.697 -4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.767 10.505 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.206 10.254 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.325 11.399 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.130 12.413 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.673 12.656 -4.343 1.00 0.00 H new ATOM 908 N GLN A 61 -10.601 10.893 -6.305 1.00 0.00 N ATOM 909 CA GLN A 61 -9.181 11.059 -6.017 1.00 0.00 C ATOM 910 C GLN A 61 -8.974 11.800 -4.701 1.00 0.00 C ATOM 911 O GLN A 61 -8.640 12.984 -4.690 1.00 0.00 O ATOM 912 CB GLN A 61 -8.493 11.815 -7.155 1.00 0.00 C ATOM 913 CG GLN A 61 -8.138 10.936 -8.343 1.00 0.00 C ATOM 914 CD GLN A 61 -6.885 11.399 -9.059 1.00 0.00 C ATOM 915 OE1 GLN A 61 -6.102 10.588 -9.553 1.00 0.00 O ATOM 916 NE2 GLN A 61 -6.689 12.711 -9.120 1.00 0.00 N ATOM 0 H GLN A 61 -10.839 10.014 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.737 10.068 -5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.146 12.620 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.584 12.280 -6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.999 9.910 -8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.971 10.928 -9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.364 13.348 -8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.863 13.082 -9.590 1.00 0.00 H new ATOM 925 N GLY A 62 -9.177 11.095 -3.591 1.00 0.00 N ATOM 926 CA GLY A 62 -9.009 11.703 -2.285 1.00 0.00 C ATOM 927 C GLY A 62 -7.570 11.671 -1.811 1.00 0.00 C ATOM 928 O GLY A 62 -6.889 10.653 -1.940 1.00 0.00 O ATOM 0 H GLY A 62 -9.455 10.114 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.353 12.737 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.638 11.183 -1.562 1.00 0.00 H new ATOM 932 N HIS A 63 -7.103 12.788 -1.261 1.00 0.00 N ATOM 933 CA HIS A 63 -5.734 12.883 -0.767 1.00 0.00 C ATOM 934 C HIS A 63 -5.680 12.624 0.735 1.00 0.00 C ATOM 935 O HIS A 63 -6.639 12.897 1.458 1.00 0.00 O ATOM 936 CB HIS A 63 -5.152 14.262 -1.081 1.00 0.00 C ATOM 937 CG HIS A 63 -5.037 14.544 -2.547 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.902 15.377 -3.224 1.00 0.00 N ATOM 939 CD2 HIS A 63 -4.147 14.100 -3.467 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.553 15.431 -4.497 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.490 14.666 -4.671 1.00 0.00 N ATOM 0 H HIS A 63 -7.653 13.640 -1.146 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.137 12.122 -1.270 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.779 15.025 -0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.165 14.343 -0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.322 13.427 -3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.052 16.003 -5.265 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.003 14.519 -5.555 1.00 0.00 H new ATOM 949 N LEU A 64 -4.552 12.095 1.199 1.00 0.00 N ATOM 950 CA LEU A 64 -4.373 11.799 2.616 1.00 0.00 C ATOM 951 C LEU A 64 -3.535 12.877 3.296 1.00 0.00 C ATOM 952 O LEU A 64 -2.863 13.665 2.631 1.00 0.00 O ATOM 953 CB LEU A 64 -3.706 10.434 2.790 1.00 0.00 C ATOM 954 CG LEU A 64 -4.560 9.218 2.423 1.00 0.00 C ATOM 955 CD1 LEU A 64 -5.437 8.808 3.596 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.410 9.515 1.196 1.00 0.00 C ATOM 0 H LEU A 64 -3.749 11.863 0.615 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.357 11.780 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.801 10.414 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.395 10.334 3.830 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.894 8.388 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.037 7.942 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.808 8.554 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.095 9.634 3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.011 8.640 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.067 10.359 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.762 9.759 0.355 1.00 0.00 H new ATOM 968 N GLN A 65 -3.579 12.903 4.624 1.00 0.00 N ATOM 969 CA GLN A 65 -2.822 13.884 5.393 1.00 0.00 C ATOM 970 C GLN A 65 -1.424 13.364 5.711 1.00 0.00 C ATOM 971 O GLN A 65 -1.198 12.156 5.762 1.00 0.00 O ATOM 972 CB GLN A 65 -3.559 14.225 6.689 1.00 0.00 C ATOM 973 CG GLN A 65 -4.993 13.721 6.725 1.00 0.00 C ATOM 974 CD GLN A 65 -5.091 12.269 7.149 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.136 11.817 7.619 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.001 11.529 6.988 1.00 0.00 N ATOM 0 H GLN A 65 -4.130 12.257 5.189 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.726 14.787 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.012 13.800 7.531 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.560 15.307 6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.573 14.336 7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.440 13.838 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.156 11.944 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.008 10.545 7.258 1.00 0.00 H new ATOM 985 N GLU A 66 -0.489 14.287 5.923 1.00 0.00 N ATOM 986 CA GLU A 66 0.887 13.920 6.235 1.00 0.00 C ATOM 987 C GLU A 66 1.093 13.810 7.743 1.00 0.00 C ATOM 988 O GLU A 66 2.045 13.182 8.206 1.00 0.00 O ATOM 989 CB GLU A 66 1.857 14.950 5.650 1.00 0.00 C ATOM 990 CG GLU A 66 2.186 14.713 4.186 1.00 0.00 C ATOM 991 CD GLU A 66 1.909 15.928 3.323 1.00 0.00 C ATOM 992 OE1 GLU A 66 0.888 15.924 2.602 1.00 0.00 O ATOM 993 OE2 GLU A 66 2.712 16.884 3.366 1.00 0.00 O ATOM 0 H GLU A 66 -0.660 15.292 5.884 1.00 0.00 H new ATOM 0 HA GLU A 66 1.087 12.947 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.427 15.945 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.781 14.936 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.237 14.438 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.602 13.870 3.818 1.00 0.00 H new ATOM 1000 N ASN A 67 0.194 14.426 8.503 1.00 0.00 N ATOM 1001 CA ASN A 67 0.277 14.399 9.959 1.00 0.00 C ATOM 1002 C ASN A 67 -0.529 13.235 10.528 1.00 0.00 C ATOM 1003 O ASN A 67 -0.022 12.448 11.326 1.00 0.00 O ATOM 1004 CB ASN A 67 -0.230 15.719 10.544 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.610 16.720 9.470 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.254 17.341 8.851 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.909 16.878 9.244 1.00 0.00 N ATOM 0 H ASN A 67 -0.600 14.950 8.135 1.00 0.00 H new ATOM 0 HA ASN A 67 1.322 14.264 10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.095 15.524 11.177 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.541 16.150 11.182 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.226 17.536 8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.589 16.341 9.782 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.788 13.135 10.111 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.664 12.067 10.580 1.00 0.00 C ATOM 1016 C GLU A 68 -2.067 10.697 10.269 1.00 0.00 C ATOM 1017 O GLU A 68 -1.725 9.938 11.177 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.046 12.191 9.935 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.128 12.646 10.899 1.00 0.00 C ATOM 1020 CD GLU A 68 -5.847 11.485 11.559 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -7.074 11.588 11.765 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -5.182 10.475 11.870 1.00 0.00 O ATOM 0 H GLU A 68 -2.223 13.779 9.451 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.765 12.163 11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.989 12.897 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.329 11.227 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.682 13.277 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.852 13.260 10.363 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.945 10.389 8.983 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.390 9.112 8.553 1.00 0.00 C ATOM 1031 C ILE A 69 -0.138 8.760 9.350 1.00 0.00 C ATOM 1032 O ILE A 69 -0.122 7.786 10.100 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.041 9.126 7.053 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.317 9.216 6.212 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.243 7.885 6.683 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.311 8.305 5.005 1.00 0.00 C ATOM 0 H ILE A 69 -2.223 11.006 8.220 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.157 8.359 8.733 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.428 10.003 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.174 8.969 6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.451 10.245 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.004 7.910 5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.680 7.860 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.833 6.995 6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.246 8.422 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.475 8.566 4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.208 7.270 5.331 1.00 0.00 H new ATOM 1048 N GLU A 70 0.908 9.563 9.183 1.00 0.00 N ATOM 1049 CA GLU A 70 2.164 9.337 9.888 1.00 0.00 C ATOM 1050 C GLU A 70 1.918 9.104 11.376 1.00 0.00 C ATOM 1051 O GLU A 70 2.769 8.556 12.078 1.00 0.00 O ATOM 1052 CB GLU A 70 3.105 10.528 9.696 1.00 0.00 C ATOM 1053 CG GLU A 70 2.804 11.696 10.620 1.00 0.00 C ATOM 1054 CD GLU A 70 3.919 12.724 10.644 1.00 0.00 C ATOM 1055 OE1 GLU A 70 3.775 13.739 11.357 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.935 12.514 9.949 1.00 0.00 O ATOM 0 H GLU A 70 0.910 10.375 8.566 1.00 0.00 H new ATOM 0 HA GLU A 70 2.630 8.445 9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.131 10.200 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.041 10.868 8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.879 12.177 10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.638 11.322 11.630 1.00 0.00 H new ATOM 1063 N CYS A 71 0.750 9.524 11.849 1.00 0.00 N ATOM 1064 CA CYS A 71 0.392 9.363 13.254 1.00 0.00 C ATOM 1065 C CYS A 71 -0.021 7.924 13.548 1.00 0.00 C ATOM 1066 O CYS A 71 0.249 7.400 14.628 1.00 0.00 O ATOM 1067 CB CYS A 71 -0.743 10.318 13.625 1.00 0.00 C ATOM 1068 SG CYS A 71 -0.768 10.793 15.369 1.00 0.00 S ATOM 0 H CYS A 71 0.035 9.978 11.281 1.00 0.00 H new ATOM 0 HA CYS A 71 1.269 9.601 13.857 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.660 11.218 13.016 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.694 9.849 13.374 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.762 11.603 15.584 1.00 0.00 H new ATOM 1074 N MET A 72 -0.677 7.293 12.580 1.00 0.00 N ATOM 1075 CA MET A 72 -1.127 5.915 12.736 1.00 0.00 C ATOM 1076 C MET A 72 -0.001 4.936 12.422 1.00 0.00 C ATOM 1077 O MET A 72 -0.194 3.721 12.451 1.00 0.00 O ATOM 1078 CB MET A 72 -2.325 5.641 11.825 1.00 0.00 C ATOM 1079 CG MET A 72 -1.935 5.199 10.424 1.00 0.00 C ATOM 1080 SD MET A 72 -3.053 5.831 9.159 1.00 0.00 S ATOM 1081 CE MET A 72 -2.685 4.726 7.799 1.00 0.00 C ATOM 0 H MET A 72 -0.909 7.714 11.680 1.00 0.00 H new ATOM 0 HA MET A 72 -1.429 5.773 13.774 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.948 4.871 12.280 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.933 6.543 11.756 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.921 5.538 10.209 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.923 4.110 10.381 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.300 4.990 6.939 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.632 4.814 7.533 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.899 3.699 8.096 1.00 0.00 H new ATOM 1091 N VAL A 73 1.178 5.473 12.122 1.00 0.00 N ATOM 1092 CA VAL A 73 2.336 4.647 11.803 1.00 0.00 C ATOM 1093 C VAL A 73 3.573 5.121 12.557 1.00 0.00 C ATOM 1094 O VAL A 73 4.172 4.368 13.324 1.00 0.00 O ATOM 1095 CB VAL A 73 2.634 4.656 10.292 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.674 3.735 9.553 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.555 6.073 9.742 1.00 0.00 C ATOM 0 H VAL A 73 1.356 6.477 12.093 1.00 0.00 H new ATOM 0 HA VAL A 73 2.093 3.630 12.111 1.00 0.00 H new ATOM 0 HB VAL A 73 3.647 4.286 10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.900 3.754 8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.784 2.718 9.929 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.650 4.072 9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.768 6.061 8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.554 6.472 9.908 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.286 6.702 10.251 1.00 0.00 H new ATOM 1107 N ALA A 74 3.953 6.375 12.332 1.00 0.00 N ATOM 1108 CA ALA A 74 5.118 6.951 12.991 1.00 0.00 C ATOM 1109 C ALA A 74 4.736 7.585 14.324 1.00 0.00 C ATOM 1110 O ALA A 74 5.459 8.430 14.850 1.00 0.00 O ATOM 1111 CB ALA A 74 5.781 7.979 12.086 1.00 0.00 C ATOM 0 H ALA A 74 3.470 7.011 11.698 1.00 0.00 H new ATOM 0 HA ALA A 74 5.827 6.148 13.190 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.650 8.401 12.591 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.097 7.499 11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.072 8.774 11.858 1.00 0.00 H new ATOM 1117 N ALA A 75 3.596 7.170 14.866 1.00 0.00 N ATOM 1118 CA ALA A 75 3.120 7.696 16.139 1.00 0.00 C ATOM 1119 C ALA A 75 4.281 7.983 17.084 1.00 0.00 C ATOM 1120 O ALA A 75 4.228 8.965 17.823 1.00 0.00 O ATOM 1121 CB ALA A 75 2.142 6.722 16.781 1.00 0.00 C ATOM 0 H ALA A 75 2.985 6.471 14.443 1.00 0.00 H new ATOM 0 HA ALA A 75 2.604 8.636 15.944 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.795 7.128 17.731 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.290 6.572 16.118 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.640 5.768 16.954 1.00 0.00 H new