USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 725 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 21 TYR OH : rot 26:sc= 1.27 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -4.96! C(o=-3.7!,f=-8.8!) USER MOD Single : A 18 SER OG : rot -170:sc= -2.74! USER MOD Single : A 19 CYS SG : rot -162:sc= 0.276 USER MOD Single : A 20 CYS SG : rot -59:sc= 0.535 USER MOD Single : A 23 SER OG : rot 84:sc= -1.29! USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 40 THR OG1 : rot 73:sc= 0.461 USER MOD Single : A 41 SER OG : rot -157:sc= 0.378 USER MOD Single : A 42 GLN : amide:sc= -3.26! C(o=-3.3!,f=-4.9!) USER MOD Single : A 44 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.002) USER MOD Single : A 45 ASN : amide:sc= -2.97! C(o=-3!,f=-6.3!) USER MOD Single : A 49 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 51 THR OG1 : rot 130:sc= -1.07! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.047) USER MOD Single : A 63 GLN : amide:sc= 0.194 K(o=0.19,f=-4.2!) USER MOD Single : A 68 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-0.31) USER MOD Single : A 76 MET CE :methyl 139:sc= -2.09 (180deg=-6.34!) USER MOD Single : A 77 SER OG : rot 71:sc= 0.535 USER MOD Single : A 78 HIS : no HD1:sc= -0.686 K(o=-0.69,f=-2.4!) USER MOD Single : A 80 GLN : amide:sc= -7.15! K(o=-7.1!,f=-2.4) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.665 K(o=0.67,f=-0.12) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= 1.29 (180deg=0.558) USER MOD Single : A 105 HIS : no HE2:sc= -0.7 K(o=-0.7,f=-1.3) USER MOD Single : A 106 MET CE :methyl -120:sc= -0.0502 (180deg=-0.12) USER MOD Single : A 107 GLN : amide:sc= -0.928 K(o=-0.93,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.978 18.670 -6.487 1.00 10.00 N ATOM 139 CA ASP A 15 7.304 18.040 -5.286 1.00 10.00 C ATOM 140 C ASP A 15 6.382 16.948 -4.919 1.00 10.00 C ATOM 141 O ASP A 15 5.822 16.917 -3.835 1.00 10.00 O ATOM 142 CB ASP A 15 7.481 19.041 -4.168 1.00 10.00 C ATOM 143 CG ASP A 15 6.376 20.084 -4.066 1.00 10.00 C ATOM 144 OD1 ASP A 15 6.288 20.959 -4.958 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.601 20.076 -3.092 1.00 10.00 O ATOM 0 HA ASP A 15 8.266 17.555 -5.452 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.541 18.502 -3.222 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.434 19.553 -4.305 1.00 10.00 H new ATOM 150 N LEU A 16 6.221 16.075 -5.822 1.00 10.00 N ATOM 151 CA LEU A 16 5.580 14.854 -5.603 1.00 10.00 C ATOM 152 C LEU A 16 6.539 13.764 -5.911 1.00 10.00 C ATOM 153 O LEU A 16 7.497 13.951 -6.653 1.00 10.00 O ATOM 154 CB LEU A 16 4.285 14.697 -6.378 1.00 10.00 C ATOM 155 CG LEU A 16 3.170 15.708 -6.133 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.864 15.964 -4.670 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.342 16.958 -6.933 1.00 10.00 C ATOM 0 H LEU A 16 6.548 16.198 -6.780 1.00 10.00 H new ATOM 0 HA LEU A 16 5.279 14.810 -4.556 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.528 14.721 -7.440 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.887 13.705 -6.164 1.00 10.00 H new ATOM 0 HG LEU A 16 2.267 15.228 -6.509 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.059 16.695 -4.589 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.557 15.033 -4.194 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.755 16.349 -4.174 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.521 17.642 -6.720 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.287 17.432 -6.669 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.344 16.713 -7.995 1.00 10.00 H new ATOM 169 N VAL A 17 6.293 12.658 -5.337 1.00 10.00 N ATOM 170 CA VAL A 17 7.099 11.530 -5.400 1.00 10.00 C ATOM 171 C VAL A 17 6.192 10.286 -5.295 1.00 10.00 C ATOM 172 O VAL A 17 5.112 10.353 -4.704 1.00 10.00 O ATOM 173 CB VAL A 17 8.164 11.551 -4.248 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.722 10.207 -4.007 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.307 12.516 -4.528 1.00 10.00 C ATOM 0 H VAL A 17 5.458 12.515 -4.770 1.00 10.00 H new ATOM 0 HA VAL A 17 7.644 11.508 -6.344 1.00 10.00 H new ATOM 0 HB VAL A 17 7.634 11.893 -3.359 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.456 10.257 -3.203 1.00 10.00 H new ATOM 0 HG12 VAL A 17 7.920 9.525 -3.724 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.203 9.844 -4.916 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.015 12.491 -3.700 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.814 12.223 -5.448 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.912 13.526 -4.638 1.00 10.00 H new ATOM 185 N SER A 18 6.613 9.224 -5.905 1.00 10.00 N ATOM 186 CA SER A 18 5.947 7.950 -5.857 1.00 10.00 C ATOM 187 C SER A 18 6.889 6.882 -5.371 1.00 10.00 C ATOM 188 O SER A 18 7.908 6.585 -6.017 1.00 10.00 O ATOM 189 CB SER A 18 5.401 7.521 -7.217 1.00 10.00 C ATOM 190 OG SER A 18 4.314 8.301 -7.611 1.00 10.00 O ATOM 0 H SER A 18 7.461 9.214 -6.472 1.00 10.00 H new ATOM 0 HA SER A 18 5.110 8.070 -5.169 1.00 10.00 H new ATOM 0 HB2 SER A 18 6.191 7.595 -7.965 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.100 6.474 -7.173 1.00 10.00 H new ATOM 0 HG SER A 18 3.895 7.902 -8.402 1.00 10.00 H new ATOM 196 N CYS A 19 6.588 6.344 -4.245 1.00 10.00 N ATOM 197 CA CYS A 19 7.293 5.204 -3.765 1.00 10.00 C ATOM 198 C CYS A 19 6.477 3.992 -4.138 1.00 10.00 C ATOM 199 O CYS A 19 5.349 3.836 -3.667 1.00 10.00 O ATOM 200 CB CYS A 19 7.505 5.290 -2.263 1.00 10.00 C ATOM 201 SG CYS A 19 8.586 6.645 -1.748 1.00 10.00 S ATOM 0 H CYS A 19 5.848 6.678 -3.628 1.00 10.00 H new ATOM 0 HA CYS A 19 8.285 5.145 -4.212 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.537 5.406 -1.776 1.00 10.00 H new ATOM 0 HB3 CYS A 19 7.927 4.349 -1.912 1.00 10.00 H new ATOM 0 HG CYS A 19 9.010 6.426 -0.539 1.00 10.00 H new ATOM 207 N CYS A 20 7.020 3.175 -4.996 1.00 10.00 N ATOM 208 CA CYS A 20 6.326 2.037 -5.528 1.00 10.00 C ATOM 209 C CYS A 20 6.924 0.840 -4.894 1.00 10.00 C ATOM 210 O CYS A 20 8.050 0.529 -5.188 1.00 10.00 O ATOM 211 CB CYS A 20 6.529 1.983 -7.051 1.00 10.00 C ATOM 212 SG CYS A 20 6.108 3.525 -7.914 1.00 10.00 S ATOM 0 H CYS A 20 7.970 3.283 -5.350 1.00 10.00 H new ATOM 0 HA CYS A 20 5.256 2.090 -5.327 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.570 1.736 -7.259 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.922 1.174 -7.459 1.00 10.00 H new ATOM 0 HG CYS A 20 4.864 3.824 -7.686 1.00 10.00 H new ATOM 218 N TYR A 21 6.212 0.184 -4.003 1.00 10.00 N ATOM 219 CA TYR A 21 6.826 -0.873 -3.270 1.00 10.00 C ATOM 220 C TYR A 21 6.136 -2.188 -3.447 1.00 10.00 C ATOM 221 O TYR A 21 4.945 -2.248 -3.802 1.00 10.00 O ATOM 222 CB TYR A 21 6.927 -0.521 -1.780 1.00 10.00 C ATOM 223 CG TYR A 21 5.738 -0.568 -0.859 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.167 -1.766 -0.431 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.266 0.598 -0.321 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.164 -1.771 0.497 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.267 0.595 0.590 1.00 10.00 C ATOM 228 CZ TYR A 21 3.722 -0.586 0.998 1.00 10.00 C ATOM 229 OH TYR A 21 2.754 -0.593 1.929 1.00 10.00 O ATOM 0 H TYR A 21 5.233 0.366 -3.781 1.00 10.00 H new ATOM 0 HA TYR A 21 7.829 -0.984 -3.681 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.680 -1.184 -1.353 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.326 0.492 -1.724 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.522 -2.701 -0.838 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.699 1.538 -0.630 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.728 -2.702 0.828 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.901 1.527 0.994 1.00 10.00 H new ATOM 0 HH TYR A 21 2.775 -1.443 2.416 1.00 10.00 H new ATOM 239 N ARG A 22 6.855 -3.247 -3.177 1.00 10.00 N ATOM 240 CA ARG A 22 6.250 -4.539 -3.188 1.00 10.00 C ATOM 241 C ARG A 22 6.396 -5.145 -1.824 1.00 10.00 C ATOM 242 O ARG A 22 7.306 -4.793 -1.053 1.00 10.00 O ATOM 243 CB ARG A 22 6.809 -5.494 -4.281 1.00 10.00 C ATOM 244 CG ARG A 22 7.831 -6.554 -3.826 1.00 10.00 C ATOM 245 CD ARG A 22 9.223 -5.998 -3.616 1.00 10.00 C ATOM 246 NE ARG A 22 10.123 -7.004 -3.014 1.00 10.00 N ATOM 247 CZ ARG A 22 10.924 -7.852 -3.676 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.894 -7.935 -5.002 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.736 -8.632 -2.982 1.00 10.00 N ATOM 0 H ARG A 22 7.849 -3.234 -2.950 1.00 10.00 H new ATOM 0 HA ARG A 22 5.199 -4.405 -3.444 1.00 10.00 H new ATOM 0 HB2 ARG A 22 5.967 -6.011 -4.742 1.00 10.00 H new ATOM 0 HB3 ARG A 22 7.274 -4.886 -5.057 1.00 10.00 H new ATOM 0 HG2 ARG A 22 7.485 -7.006 -2.897 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.874 -7.349 -4.570 1.00 10.00 H new ATOM 0 HD2 ARG A 22 9.632 -5.668 -4.571 1.00 10.00 H new ATOM 0 HD3 ARG A 22 9.172 -5.121 -2.971 1.00 10.00 H new ATOM 0 HE ARG A 22 10.136 -7.059 -1.996 1.00 10.00 H new ATOM 0 HH11 ARG A 22 10.253 -7.347 -5.535 1.00 10.00 H new ATOM 0 HH12 ARG A 22 11.512 -8.587 -5.486 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.745 -8.581 -1.963 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.353 -9.284 -3.466 1.00 10.00 H new ATOM 263 N SER A 23 5.513 -5.993 -1.484 1.00 10.00 N ATOM 264 CA SER A 23 5.613 -6.696 -0.268 1.00 10.00 C ATOM 265 C SER A 23 5.073 -8.081 -0.458 1.00 10.00 C ATOM 266 O SER A 23 4.351 -8.336 -1.385 1.00 10.00 O ATOM 267 CB SER A 23 4.887 -5.983 0.865 1.00 10.00 C ATOM 268 OG SER A 23 5.408 -4.702 1.072 1.00 10.00 O ATOM 0 H SER A 23 4.692 -6.224 -2.044 1.00 10.00 H new ATOM 0 HA SER A 23 6.664 -6.746 0.017 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.824 -5.913 0.633 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.975 -6.567 1.781 1.00 10.00 H new ATOM 0 HG SER A 23 4.993 -4.075 0.444 1.00 10.00 H new ATOM 274 N LEU A 24 5.423 -8.954 0.400 1.00 10.00 N ATOM 275 CA LEU A 24 4.959 -10.337 0.285 1.00 10.00 C ATOM 276 C LEU A 24 3.942 -10.670 1.362 1.00 10.00 C ATOM 277 O LEU A 24 3.998 -11.755 1.900 1.00 10.00 O ATOM 278 CB LEU A 24 6.154 -11.333 0.319 1.00 10.00 C ATOM 279 CG LEU A 24 7.056 -11.433 -0.937 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.240 -11.815 -2.148 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.837 -10.151 -1.203 1.00 10.00 C ATOM 0 H LEU A 24 6.028 -8.768 1.200 1.00 10.00 H new ATOM 0 HA LEU A 24 4.464 -10.439 -0.681 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.788 -11.065 1.164 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.754 -12.326 0.523 1.00 10.00 H new ATOM 0 HG LEU A 24 7.788 -12.215 -0.738 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.891 -11.880 -3.020 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.765 -12.781 -1.977 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.474 -11.060 -2.323 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.452 -10.278 -2.094 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.141 -9.326 -1.357 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.477 -9.931 -0.349 1.00 10.00 H new ATOM 293 N ALA A 25 3.004 -9.693 1.622 1.00 10.00 N ATOM 294 CA ALA A 25 1.935 -9.731 2.698 1.00 10.00 C ATOM 295 C ALA A 25 2.167 -10.793 3.747 1.00 10.00 C ATOM 296 O ALA A 25 1.885 -11.972 3.505 1.00 10.00 O ATOM 297 CB ALA A 25 0.550 -9.866 2.099 1.00 10.00 C ATOM 0 H ALA A 25 2.967 -8.833 1.076 1.00 10.00 H new ATOM 0 HA ALA A 25 2.005 -8.772 3.211 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.191 -9.890 2.898 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.352 -9.016 1.446 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.492 -10.789 1.522 1.00 10.00 H new ATOM 303 N ALA A 26 2.620 -10.382 4.927 1.00 10.00 N ATOM 304 CA ALA A 26 3.080 -11.340 5.893 1.00 10.00 C ATOM 305 C ALA A 26 1.956 -12.256 6.391 1.00 10.00 C ATOM 306 O ALA A 26 0.808 -11.849 6.483 1.00 10.00 O ATOM 307 CB ALA A 26 3.681 -10.628 7.073 1.00 10.00 C ATOM 0 H ALA A 26 2.673 -9.407 5.223 1.00 10.00 H new ATOM 0 HA ALA A 26 3.826 -11.959 5.395 1.00 10.00 H new ATOM 0 HB1 ALA A 26 4.028 -11.360 7.802 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.522 -10.020 6.741 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.929 -9.987 7.533 1.00 10.00 H new ATOM 313 N PRO A 27 2.286 -13.500 6.728 1.00 10.00 N ATOM 314 CA PRO A 27 1.347 -14.478 7.373 1.00 10.00 C ATOM 315 C PRO A 27 0.882 -13.999 8.755 1.00 10.00 C ATOM 316 O PRO A 27 -0.066 -14.519 9.350 1.00 10.00 O ATOM 317 CB PRO A 27 2.236 -15.706 7.524 1.00 10.00 C ATOM 318 CG PRO A 27 3.601 -15.110 7.543 1.00 10.00 C ATOM 319 CD PRO A 27 3.578 -14.134 6.462 1.00 10.00 C ATOM 0 HA PRO A 27 0.434 -14.637 6.799 1.00 10.00 H new ATOM 0 HB2 PRO A 27 2.019 -16.255 8.441 1.00 10.00 H new ATOM 0 HB3 PRO A 27 2.109 -16.404 6.697 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.816 -14.638 8.502 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.369 -15.867 7.381 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.408 -13.430 6.517 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.620 -14.600 5.477 1.00 10.00 H new ATOM 327 N ASP A 28 1.563 -12.989 9.211 1.00 10.00 N ATOM 328 CA ASP A 28 1.345 -12.297 10.473 1.00 10.00 C ATOM 329 C ASP A 28 0.072 -11.441 10.387 1.00 10.00 C ATOM 330 O ASP A 28 -0.378 -10.850 11.378 1.00 10.00 O ATOM 331 CB ASP A 28 2.547 -11.364 10.751 1.00 10.00 C ATOM 332 CG ASP A 28 3.879 -12.069 11.017 1.00 10.00 C ATOM 333 OD1 ASP A 28 4.430 -12.727 10.098 1.00 10.00 O ATOM 334 OD2 ASP A 28 4.443 -11.909 12.137 1.00 10.00 O ATOM 0 H ASP A 28 2.341 -12.591 8.685 1.00 10.00 H new ATOM 0 HA ASP A 28 1.239 -13.032 11.271 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.672 -10.697 9.898 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.308 -10.739 11.611 1.00 10.00 H new ATOM 339 N LEU A 29 -0.476 -11.369 9.198 1.00 10.00 N ATOM 340 CA LEU A 29 -1.652 -10.588 8.902 1.00 10.00 C ATOM 341 C LEU A 29 -2.949 -11.281 9.252 1.00 10.00 C ATOM 342 O LEU A 29 -3.029 -12.510 9.396 1.00 10.00 O ATOM 343 CB LEU A 29 -1.674 -10.243 7.425 1.00 10.00 C ATOM 344 CG LEU A 29 -0.774 -9.118 6.985 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.727 -9.059 5.480 1.00 10.00 C ATOM 346 CD2 LEU A 29 -1.293 -7.810 7.523 1.00 10.00 C ATOM 0 H LEU A 29 -0.106 -11.866 8.388 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.586 -9.695 9.523 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.404 -11.136 6.862 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.697 -9.989 7.149 1.00 10.00 H new ATOM 0 HG LEU A 29 0.230 -9.295 7.370 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.075 -8.243 5.168 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.341 -10.001 5.091 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.731 -8.890 5.091 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -0.639 -6.999 7.202 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.300 -7.635 7.145 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.316 -7.848 8.612 1.00 10.00 H new ATOM 358 N THR A 30 -3.945 -10.468 9.385 1.00 10.00 N ATOM 359 CA THR A 30 -5.290 -10.857 9.575 1.00 10.00 C ATOM 360 C THR A 30 -6.138 -9.981 8.753 1.00 10.00 C ATOM 361 O THR A 30 -5.700 -8.912 8.352 1.00 10.00 O ATOM 362 CB THR A 30 -5.738 -10.667 10.998 1.00 10.00 C ATOM 363 OG1 THR A 30 -5.164 -9.487 11.570 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.495 -11.864 11.824 1.00 10.00 C ATOM 0 H THR A 30 -3.826 -9.455 9.361 1.00 10.00 H new ATOM 0 HA THR A 30 -5.372 -11.911 9.308 1.00 10.00 H new ATOM 0 HB THR A 30 -6.819 -10.525 10.981 1.00 10.00 H new ATOM 0 HG1 THR A 30 -5.474 -9.388 12.494 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.835 -11.678 12.843 1.00 10.00 H new ATOM 0 HG22 THR A 30 -6.042 -12.710 11.408 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.429 -12.090 11.833 1.00 10.00 H new ATOM 372 N LEU A 31 -7.336 -10.402 8.521 1.00 10.00 N ATOM 373 CA LEU A 31 -8.312 -9.606 7.847 1.00 10.00 C ATOM 374 C LEU A 31 -8.521 -8.353 8.627 1.00 10.00 C ATOM 375 O LEU A 31 -8.568 -7.286 8.050 1.00 10.00 O ATOM 376 CB LEU A 31 -9.590 -10.345 7.818 1.00 10.00 C ATOM 377 CG LEU A 31 -10.790 -9.684 7.133 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.550 -9.479 5.647 1.00 10.00 C ATOM 379 CD2 LEU A 31 -12.038 -10.509 7.373 1.00 10.00 C ATOM 0 H LEU A 31 -7.672 -11.324 8.798 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.977 -9.381 6.834 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -9.411 -11.302 7.327 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.872 -10.563 8.848 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.928 -8.695 7.571 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -11.425 -9.008 5.199 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.680 -8.839 5.504 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -10.373 -10.443 5.171 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.888 -10.034 6.883 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.897 -11.510 6.964 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -12.228 -10.578 8.444 1.00 10.00 H new ATOM 391 N ARG A 32 -8.570 -8.457 9.961 1.00 10.00 N ATOM 392 CA ARG A 32 -8.797 -7.244 10.705 1.00 10.00 C ATOM 393 C ARG A 32 -7.604 -6.329 10.571 1.00 10.00 C ATOM 394 O ARG A 32 -7.753 -5.137 10.557 1.00 10.00 O ATOM 395 CB ARG A 32 -9.204 -7.443 12.171 1.00 10.00 C ATOM 396 CG ARG A 32 -9.479 -6.104 12.893 1.00 10.00 C ATOM 397 CD ARG A 32 -10.575 -5.286 12.179 1.00 10.00 C ATOM 398 NE ARG A 32 -10.653 -3.900 12.671 1.00 10.00 N ATOM 399 CZ ARG A 32 -11.229 -2.876 12.005 1.00 10.00 C ATOM 400 NH1 ARG A 32 -11.953 -3.107 10.910 1.00 10.00 N ATOM 401 NH2 ARG A 32 -11.098 -1.633 12.469 1.00 10.00 N ATOM 0 H ARG A 32 -8.462 -9.313 10.505 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.673 -6.775 10.256 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -10.097 -8.067 12.216 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.413 -7.980 12.695 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.783 -6.301 13.921 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.560 -5.520 12.939 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.377 -5.277 11.107 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.539 -5.774 12.322 1.00 10.00 H new ATOM 0 HE ARG A 32 -10.241 -3.699 13.582 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.074 -4.061 10.571 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -12.386 -2.330 10.411 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -10.565 -1.460 13.322 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -11.530 -0.855 11.971 1.00 10.00 H new ATOM 415 N ASP A 33 -6.430 -6.903 10.394 1.00 10.00 N ATOM 416 CA ASP A 33 -5.255 -6.098 10.188 1.00 10.00 C ATOM 417 C ASP A 33 -5.379 -5.352 8.860 1.00 10.00 C ATOM 418 O ASP A 33 -5.100 -4.177 8.815 1.00 10.00 O ATOM 419 CB ASP A 33 -3.967 -6.914 10.220 1.00 10.00 C ATOM 420 CG ASP A 33 -2.763 -6.078 10.628 1.00 10.00 C ATOM 421 OD1 ASP A 33 -2.549 -4.998 10.073 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.053 -6.487 11.573 1.00 10.00 O ATOM 0 H ASP A 33 -6.271 -7.910 10.389 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.193 -5.388 11.013 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.083 -7.744 10.917 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.789 -7.347 9.235 1.00 10.00 H new ATOM 427 N LEU A 34 -5.909 -6.015 7.776 1.00 10.00 N ATOM 428 CA LEU A 34 -6.061 -5.267 6.471 1.00 10.00 C ATOM 429 C LEU A 34 -7.059 -4.175 6.626 1.00 10.00 C ATOM 430 O LEU A 34 -6.880 -3.055 6.147 1.00 10.00 O ATOM 431 CB LEU A 34 -6.510 -6.126 5.260 1.00 10.00 C ATOM 432 CG LEU A 34 -5.511 -7.082 4.615 1.00 10.00 C ATOM 433 CD1 LEU A 34 -4.223 -6.372 4.219 1.00 10.00 C ATOM 434 CD2 LEU A 34 -5.246 -8.231 5.507 1.00 10.00 C ATOM 0 H LEU A 34 -6.217 -6.987 7.769 1.00 10.00 H new ATOM 0 HA LEU A 34 -5.058 -4.900 6.253 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -7.371 -6.715 5.577 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.859 -5.444 4.485 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.956 -7.461 3.695 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -3.538 -7.087 3.763 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -4.449 -5.580 3.505 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.759 -5.939 5.105 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.531 -8.903 5.032 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.835 -7.872 6.450 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -6.176 -8.766 5.697 1.00 10.00 H new ATOM 446 N LEU A 35 -8.104 -4.504 7.313 1.00 10.00 N ATOM 447 CA LEU A 35 -9.201 -3.602 7.541 1.00 10.00 C ATOM 448 C LEU A 35 -8.797 -2.472 8.484 1.00 10.00 C ATOM 449 O LEU A 35 -9.355 -1.377 8.440 1.00 10.00 O ATOM 450 CB LEU A 35 -10.445 -4.383 8.003 1.00 10.00 C ATOM 451 CG LEU A 35 -11.223 -5.173 6.896 1.00 10.00 C ATOM 452 CD1 LEU A 35 -12.030 -4.220 6.030 1.00 10.00 C ATOM 453 CD2 LEU A 35 -10.267 -5.965 5.993 1.00 10.00 C ATOM 0 H LEU A 35 -8.228 -5.421 7.742 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.472 -3.116 6.604 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -10.138 -5.089 8.774 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -11.135 -3.681 8.470 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.888 -5.869 7.407 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.564 -4.786 5.266 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.747 -3.682 6.651 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.359 -3.507 5.551 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.841 -6.501 5.237 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.575 -5.279 5.505 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.705 -6.679 6.595 1.00 10.00 H new ATOM 465 N ASP A 36 -7.823 -2.747 9.310 1.00 10.00 N ATOM 466 CA ASP A 36 -7.183 -1.716 10.159 1.00 10.00 C ATOM 467 C ASP A 36 -6.310 -0.831 9.294 1.00 10.00 C ATOM 468 O ASP A 36 -6.398 0.392 9.360 1.00 10.00 O ATOM 469 CB ASP A 36 -6.312 -2.323 11.274 1.00 10.00 C ATOM 470 CG ASP A 36 -6.968 -2.357 12.638 1.00 10.00 C ATOM 471 OD1 ASP A 36 -6.805 -1.392 13.421 1.00 10.00 O ATOM 472 OD2 ASP A 36 -7.587 -3.366 13.003 1.00 10.00 O ATOM 0 H ASP A 36 -7.435 -3.683 9.430 1.00 10.00 H new ATOM 0 HA ASP A 36 -7.983 -1.146 10.632 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -6.039 -3.340 10.991 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.386 -1.753 11.345 1.00 10.00 H new ATOM 477 N ILE A 37 -5.478 -1.476 8.472 1.00 10.00 N ATOM 478 CA ILE A 37 -4.580 -0.819 7.516 1.00 10.00 C ATOM 479 C ILE A 37 -5.336 0.201 6.677 1.00 10.00 C ATOM 480 O ILE A 37 -4.981 1.386 6.667 1.00 10.00 O ATOM 481 CB ILE A 37 -3.900 -1.882 6.589 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.841 -2.676 7.368 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.282 -1.242 5.341 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.459 -3.999 6.727 1.00 10.00 C ATOM 0 H ILE A 37 -5.408 -2.493 8.452 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.807 -0.296 8.079 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.678 -2.567 6.252 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.946 -2.063 7.470 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.214 -2.867 8.374 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.821 -2.015 4.726 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -4.060 -0.738 4.768 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.525 -0.517 5.641 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.707 -4.496 7.339 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.342 -4.634 6.649 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -2.054 -3.817 5.731 1.00 10.00 H new ATOM 496 N VAL A 38 -6.390 -0.250 6.019 1.00 10.00 N ATOM 497 CA VAL A 38 -7.191 0.618 5.180 1.00 10.00 C ATOM 498 C VAL A 38 -7.817 1.760 6.006 1.00 10.00 C ATOM 499 O VAL A 38 -7.775 2.899 5.597 1.00 10.00 O ATOM 500 CB VAL A 38 -8.270 -0.175 4.344 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.255 -0.902 5.218 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.996 0.716 3.346 1.00 10.00 C ATOM 0 H VAL A 38 -6.710 -1.218 6.051 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.520 1.069 4.449 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.714 -0.924 3.780 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.975 -1.431 4.593 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.725 -1.618 5.846 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.780 -0.185 5.849 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.728 0.125 2.795 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.505 1.519 3.879 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.276 1.143 2.648 1.00 10.00 H new ATOM 512 N GLU A 39 -8.291 1.444 7.212 1.00 10.00 N ATOM 513 CA GLU A 39 -8.944 2.402 8.089 1.00 10.00 C ATOM 514 C GLU A 39 -7.988 3.550 8.473 1.00 10.00 C ATOM 515 O GLU A 39 -8.366 4.726 8.440 1.00 10.00 O ATOM 516 CB GLU A 39 -9.419 1.673 9.343 1.00 10.00 C ATOM 517 CG GLU A 39 -10.414 2.437 10.169 1.00 10.00 C ATOM 518 CD GLU A 39 -10.872 1.669 11.387 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.738 0.766 11.261 1.00 10.00 O ATOM 520 OE2 GLU A 39 -10.389 1.943 12.498 1.00 10.00 O ATOM 0 H GLU A 39 -8.229 0.505 7.606 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.793 2.842 7.565 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.864 0.722 9.049 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -8.553 1.441 9.963 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -9.969 3.381 10.485 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -11.279 2.683 9.553 1.00 10.00 H new ATOM 527 N THR A 40 -6.768 3.201 8.820 1.00 10.00 N ATOM 528 CA THR A 40 -5.766 4.174 9.226 1.00 10.00 C ATOM 529 C THR A 40 -5.220 4.972 8.015 1.00 10.00 C ATOM 530 O THR A 40 -4.912 6.172 8.128 1.00 10.00 O ATOM 531 CB THR A 40 -4.585 3.435 9.908 1.00 10.00 C ATOM 532 OG1 THR A 40 -5.083 2.569 10.940 1.00 10.00 O ATOM 533 CG2 THR A 40 -3.592 4.418 10.520 1.00 10.00 C ATOM 0 H THR A 40 -6.439 2.236 8.830 1.00 10.00 H new ATOM 0 HA THR A 40 -6.238 4.874 9.916 1.00 10.00 H new ATOM 0 HB THR A 40 -4.071 2.853 9.143 1.00 10.00 H new ATOM 0 HG1 THR A 40 -5.516 1.790 10.533 1.00 10.00 H new ATOM 0 HG21 THR A 40 -2.777 3.867 10.990 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.191 5.064 9.739 1.00 10.00 H new ATOM 0 HG23 THR A 40 -4.098 5.027 11.270 1.00 10.00 H new ATOM 541 N SER A 41 -5.150 4.310 6.870 1.00 10.00 N ATOM 542 CA SER A 41 -4.492 4.854 5.701 1.00 10.00 C ATOM 543 C SER A 41 -5.100 6.182 5.197 1.00 10.00 C ATOM 544 O SER A 41 -4.360 7.195 5.135 1.00 10.00 O ATOM 545 CB SER A 41 -4.400 3.801 4.584 1.00 10.00 C ATOM 546 OG SER A 41 -3.461 4.183 3.588 1.00 10.00 O ATOM 0 H SER A 41 -5.549 3.382 6.729 1.00 10.00 H new ATOM 0 HA SER A 41 -3.481 5.112 6.015 1.00 10.00 H new ATOM 0 HB2 SER A 41 -4.110 2.841 5.010 1.00 10.00 H new ATOM 0 HB3 SER A 41 -5.381 3.665 4.128 1.00 10.00 H new ATOM 0 HG SER A 41 -3.674 3.729 2.746 1.00 10.00 H new ATOM 552 N GLN A 42 -6.447 6.223 4.903 1.00 10.00 N ATOM 553 CA GLN A 42 -7.060 7.460 4.311 1.00 10.00 C ATOM 554 C GLN A 42 -6.786 8.660 5.158 1.00 10.00 C ATOM 555 O GLN A 42 -6.410 9.700 4.660 1.00 10.00 O ATOM 556 CB GLN A 42 -8.587 7.428 4.089 1.00 10.00 C ATOM 557 CG GLN A 42 -9.159 6.348 3.194 1.00 10.00 C ATOM 558 CD GLN A 42 -9.277 5.015 3.874 1.00 10.00 C ATOM 559 OE1 GLN A 42 -9.214 3.980 3.227 1.00 10.00 O ATOM 560 NE2 GLN A 42 -9.469 5.017 5.181 1.00 10.00 N ATOM 0 H GLN A 42 -7.097 5.452 5.058 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.583 7.509 3.332 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -9.063 7.338 5.065 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.884 8.393 3.678 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -10.144 6.659 2.845 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -8.527 6.244 2.312 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.516 5.901 5.688 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -9.570 4.135 5.683 1.00 10.00 H new ATOM 569 N ALA A 43 -6.923 8.480 6.444 1.00 10.00 N ATOM 570 CA ALA A 43 -6.810 9.552 7.407 1.00 10.00 C ATOM 571 C ALA A 43 -5.481 10.303 7.302 1.00 10.00 C ATOM 572 O ALA A 43 -5.437 11.527 7.448 1.00 10.00 O ATOM 573 CB ALA A 43 -7.052 9.008 8.804 1.00 10.00 C ATOM 0 H ALA A 43 -7.120 7.571 6.863 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.577 10.293 7.182 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -6.967 9.817 9.529 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.051 8.576 8.858 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.312 8.240 9.029 1.00 10.00 H new ATOM 579 N HIS A 44 -4.419 9.606 7.003 1.00 10.00 N ATOM 580 CA HIS A 44 -3.150 10.268 6.879 1.00 10.00 C ATOM 581 C HIS A 44 -2.865 10.628 5.434 1.00 10.00 C ATOM 582 O HIS A 44 -2.311 11.689 5.181 1.00 10.00 O ATOM 583 CB HIS A 44 -2.019 9.433 7.451 1.00 10.00 C ATOM 584 CG HIS A 44 -0.662 10.116 7.508 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.500 9.497 7.126 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.297 11.360 7.923 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.521 10.320 7.298 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.062 11.459 7.779 1.00 10.00 N ATOM 0 H HIS A 44 -4.405 8.599 6.843 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.209 11.188 7.461 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.293 9.125 8.460 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -1.924 8.525 6.855 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.958 12.128 8.297 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.555 10.097 7.081 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.626 12.278 8.006 1.00 10.00 H new ATOM 597 N ASN A 45 -3.243 9.769 4.478 1.00 10.00 N ATOM 598 CA ASN A 45 -2.922 10.073 3.078 1.00 10.00 C ATOM 599 C ASN A 45 -3.743 11.239 2.584 1.00 10.00 C ATOM 600 O ASN A 45 -3.220 12.107 1.927 1.00 10.00 O ATOM 601 CB ASN A 45 -3.012 8.867 2.089 1.00 10.00 C ATOM 602 CG ASN A 45 -4.421 8.440 1.689 1.00 10.00 C ATOM 603 OD1 ASN A 45 -4.998 7.580 2.295 1.00 10.00 O ATOM 604 ND2 ASN A 45 -4.958 9.028 0.643 1.00 10.00 N ATOM 0 H ASN A 45 -3.748 8.897 4.636 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.865 10.339 3.087 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -2.459 9.121 1.185 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -2.508 8.013 2.541 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -5.889 8.756 0.327 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -4.444 9.756 0.147 1.00 10.00 H new ATOM 611 N ALA A 46 -5.010 11.289 2.966 1.00 10.00 N ATOM 612 CA ALA A 46 -5.901 12.373 2.569 1.00 10.00 C ATOM 613 C ALA A 46 -5.397 13.675 3.134 1.00 10.00 C ATOM 614 O ALA A 46 -5.372 14.702 2.452 1.00 10.00 O ATOM 615 CB ALA A 46 -7.301 12.114 3.078 1.00 10.00 C ATOM 0 H ALA A 46 -5.450 10.584 3.557 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.923 12.429 1.481 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.955 12.931 2.774 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.672 11.178 2.661 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.286 12.046 4.166 1.00 10.00 H new ATOM 621 N ARG A 47 -4.985 13.626 4.381 1.00 10.00 N ATOM 622 CA ARG A 47 -4.452 14.782 5.052 1.00 10.00 C ATOM 623 C ARG A 47 -3.160 15.214 4.419 1.00 10.00 C ATOM 624 O ARG A 47 -2.981 16.385 4.103 1.00 10.00 O ATOM 625 CB ARG A 47 -4.221 14.477 6.507 1.00 10.00 C ATOM 626 CG ARG A 47 -3.628 15.630 7.307 1.00 10.00 C ATOM 627 CD ARG A 47 -3.713 15.386 8.801 1.00 10.00 C ATOM 628 NE ARG A 47 -3.390 14.006 9.189 1.00 10.00 N ATOM 629 CZ ARG A 47 -2.361 13.645 9.953 1.00 10.00 C ATOM 630 NH1 ARG A 47 -1.330 14.464 10.132 1.00 10.00 N ATOM 631 NH2 ARG A 47 -2.337 12.432 10.493 1.00 10.00 N ATOM 0 H ARG A 47 -5.011 12.783 4.955 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.177 15.591 4.963 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.169 14.187 6.960 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.555 13.617 6.584 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -2.586 15.771 7.021 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -4.154 16.552 7.059 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -3.032 16.067 9.312 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -4.720 15.625 9.143 1.00 10.00 H new ATOM 0 HE ARG A 47 -4.003 13.266 8.846 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -1.322 15.379 9.682 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -0.547 14.177 10.719 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -3.104 11.782 10.322 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.551 12.150 11.079 1.00 10.00 H new ATOM 645 N ALA A 48 -2.262 14.269 4.203 1.00 10.00 N ATOM 646 CA ALA A 48 -0.995 14.636 3.662 1.00 10.00 C ATOM 647 C ALA A 48 -1.031 14.869 2.144 1.00 10.00 C ATOM 648 O ALA A 48 -0.007 15.200 1.552 1.00 10.00 O ATOM 649 CB ALA A 48 0.106 13.694 4.065 1.00 10.00 C ATOM 0 H ALA A 48 -2.393 13.275 4.392 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.758 15.601 4.111 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.047 14.024 3.624 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.198 13.685 5.151 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.128 12.689 3.713 1.00 10.00 H new ATOM 655 N GLN A 49 -2.236 14.701 1.529 1.00 10.00 N ATOM 656 CA GLN A 49 -2.501 14.988 0.088 1.00 10.00 C ATOM 657 C GLN A 49 -1.870 13.929 -0.802 1.00 10.00 C ATOM 658 O GLN A 49 -1.581 14.152 -1.996 1.00 10.00 O ATOM 659 CB GLN A 49 -2.004 16.379 -0.248 1.00 10.00 C ATOM 660 CG GLN A 49 -2.574 17.395 0.664 1.00 10.00 C ATOM 661 CD GLN A 49 -1.578 18.456 0.999 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.480 19.477 0.324 1.00 10.00 O ATOM 663 NE2 GLN A 49 -0.822 18.211 2.046 1.00 10.00 N ATOM 0 H GLN A 49 -3.059 14.359 2.025 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.575 14.954 -0.096 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.916 16.402 -0.186 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.270 16.622 -1.277 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.449 17.850 0.200 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.914 16.912 1.580 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -0.945 17.346 2.573 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.113 18.886 2.332 1.00 10.00 H new ATOM 672 N LEU A 50 -1.699 12.792 -0.215 1.00 10.00 N ATOM 673 CA LEU A 50 -1.175 11.610 -0.836 1.00 10.00 C ATOM 674 C LEU A 50 -2.268 10.835 -1.527 1.00 10.00 C ATOM 675 O LEU A 50 -3.345 10.616 -0.967 1.00 10.00 O ATOM 676 CB LEU A 50 -0.509 10.738 0.222 1.00 10.00 C ATOM 677 CG LEU A 50 0.960 11.013 0.514 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.235 12.470 0.764 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.440 10.190 1.677 1.00 10.00 C ATOM 0 H LEU A 50 -1.933 12.649 0.767 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.442 11.904 -1.587 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.066 10.847 1.152 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.605 9.697 -0.086 1.00 10.00 H new ATOM 0 HG LEU A 50 1.513 10.725 -0.380 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.297 12.610 0.967 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.954 13.049 -0.115 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.654 12.808 1.622 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.492 10.405 1.865 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.855 10.436 2.563 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.321 9.131 1.447 1.00 10.00 H new ATOM 691 N THR A 51 -2.005 10.456 -2.738 1.00 10.00 N ATOM 692 CA THR A 51 -2.900 9.701 -3.533 1.00 10.00 C ATOM 693 C THR A 51 -2.250 8.358 -3.829 1.00 10.00 C ATOM 694 O THR A 51 -1.051 8.254 -3.783 1.00 10.00 O ATOM 695 CB THR A 51 -3.270 10.526 -4.765 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.098 10.919 -5.466 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.935 11.777 -4.264 1.00 10.00 C ATOM 0 H THR A 51 -1.128 10.676 -3.210 1.00 10.00 H new ATOM 0 HA THR A 51 -3.841 9.482 -3.028 1.00 10.00 H new ATOM 0 HB THR A 51 -3.910 9.943 -5.427 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.193 10.694 -6.415 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.219 12.402 -5.111 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.825 11.512 -3.693 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.244 12.325 -3.624 1.00 10.00 H new ATOM 705 N GLY A 52 -3.014 7.337 -4.039 1.00 10.00 N ATOM 706 CA GLY A 52 -2.432 6.025 -4.006 1.00 10.00 C ATOM 707 C GLY A 52 -3.310 4.945 -4.533 1.00 10.00 C ATOM 708 O GLY A 52 -4.432 5.194 -4.992 1.00 10.00 O ATOM 0 H GLY A 52 -4.015 7.375 -4.231 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.507 6.037 -4.583 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.163 5.787 -2.977 1.00 10.00 H new ATOM 712 N ALA A 53 -2.779 3.767 -4.526 1.00 10.00 N ATOM 713 CA ALA A 53 -3.494 2.555 -4.854 1.00 10.00 C ATOM 714 C ALA A 53 -2.646 1.367 -4.471 1.00 10.00 C ATOM 715 O ALA A 53 -1.418 1.475 -4.407 1.00 10.00 O ATOM 716 CB ALA A 53 -3.911 2.493 -6.321 1.00 10.00 C ATOM 0 H ALA A 53 -1.801 3.605 -4.285 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.423 2.542 -4.284 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.444 1.561 -6.509 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.563 3.336 -6.550 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.024 2.538 -6.953 1.00 10.00 H new ATOM 722 N LEU A 54 -3.271 0.272 -4.154 1.00 10.00 N ATOM 723 CA LEU A 54 -2.544 -0.911 -3.853 1.00 10.00 C ATOM 724 C LEU A 54 -3.243 -2.089 -4.431 1.00 10.00 C ATOM 725 O LEU A 54 -4.478 -2.164 -4.413 1.00 10.00 O ATOM 726 CB LEU A 54 -2.287 -1.066 -2.326 1.00 10.00 C ATOM 727 CG LEU A 54 -3.429 -1.513 -1.372 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.652 -3.030 -1.420 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.118 -1.078 0.048 1.00 10.00 C ATOM 0 H LEU A 54 -4.285 0.180 -4.099 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.558 -0.839 -4.312 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.472 -1.781 -2.209 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -1.923 -0.105 -1.963 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.348 -1.033 -1.708 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.459 -3.301 -0.739 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -3.919 -3.327 -2.434 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -2.737 -3.542 -1.121 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.923 -1.395 0.710 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.182 -1.533 0.371 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.025 0.007 0.084 1.00 10.00 H new ATOM 741 N PHE A 55 -2.482 -2.991 -4.936 1.00 10.00 N ATOM 742 CA PHE A 55 -2.979 -4.188 -5.496 1.00 10.00 C ATOM 743 C PHE A 55 -2.454 -5.345 -4.693 1.00 10.00 C ATOM 744 O PHE A 55 -1.261 -5.647 -4.706 1.00 10.00 O ATOM 745 CB PHE A 55 -2.573 -4.322 -6.969 1.00 10.00 C ATOM 746 CG PHE A 55 -3.132 -3.237 -7.854 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.388 -3.370 -8.421 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.403 -2.087 -8.113 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.906 -2.378 -9.227 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.916 -1.091 -8.918 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.168 -1.236 -9.476 1.00 10.00 C ATOM 0 H PHE A 55 -1.466 -2.911 -4.971 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.068 -4.177 -5.463 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.485 -4.311 -7.039 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.907 -5.290 -7.342 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -4.969 -4.260 -8.230 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.421 -1.969 -7.679 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.887 -2.493 -9.663 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -2.338 -0.199 -9.111 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.572 -0.458 -10.107 1.00 10.00 H new ATOM 761 N TYR A 56 -3.323 -5.930 -3.941 1.00 10.00 N ATOM 762 CA TYR A 56 -3.006 -7.096 -3.178 1.00 10.00 C ATOM 763 C TYR A 56 -3.561 -8.246 -3.994 1.00 10.00 C ATOM 764 O TYR A 56 -4.780 -8.391 -4.108 1.00 10.00 O ATOM 765 CB TYR A 56 -3.693 -6.995 -1.779 1.00 10.00 C ATOM 766 CG TYR A 56 -3.419 -8.121 -0.765 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.584 -9.468 -1.085 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.032 -7.811 0.532 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.361 -10.463 -0.149 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.805 -8.803 1.473 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.970 -10.126 1.127 1.00 10.00 C ATOM 772 OH TYR A 56 -2.743 -11.118 2.065 1.00 10.00 O ATOM 0 H TYR A 56 -4.286 -5.611 -3.835 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.939 -7.222 -2.995 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.390 -6.052 -1.324 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.770 -6.941 -1.937 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.892 -9.741 -2.084 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -2.905 -6.776 0.813 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -3.493 -11.500 -0.419 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.500 -8.539 2.475 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.473 -10.710 2.914 1.00 10.00 H new ATOM 782 N SER A 57 -2.699 -8.986 -4.614 1.00 10.00 N ATOM 783 CA SER A 57 -3.118 -10.065 -5.457 1.00 10.00 C ATOM 784 C SER A 57 -2.728 -11.411 -4.863 1.00 10.00 C ATOM 785 O SER A 57 -1.558 -11.826 -4.955 1.00 10.00 O ATOM 786 CB SER A 57 -2.558 -9.858 -6.868 1.00 10.00 C ATOM 787 OG SER A 57 -1.164 -9.554 -6.828 1.00 10.00 O ATOM 0 H SER A 57 -1.688 -8.862 -4.553 1.00 10.00 H new ATOM 0 HA SER A 57 -4.206 -10.070 -5.526 1.00 10.00 H new ATOM 0 HB2 SER A 57 -2.720 -10.757 -7.463 1.00 10.00 H new ATOM 0 HB3 SER A 57 -3.096 -9.048 -7.361 1.00 10.00 H new ATOM 0 HG SER A 57 -0.830 -9.428 -7.741 1.00 10.00 H new ATOM 793 N GLN A 58 -3.701 -12.038 -4.185 1.00 10.00 N ATOM 794 CA GLN A 58 -3.580 -13.355 -3.520 1.00 10.00 C ATOM 795 C GLN A 58 -2.659 -13.302 -2.281 1.00 10.00 C ATOM 796 O GLN A 58 -3.081 -13.629 -1.165 1.00 10.00 O ATOM 797 CB GLN A 58 -3.143 -14.463 -4.509 1.00 10.00 C ATOM 798 CG GLN A 58 -3.107 -15.872 -3.901 1.00 10.00 C ATOM 799 CD GLN A 58 -4.469 -16.379 -3.408 1.00 10.00 C ATOM 800 OE1 GLN A 58 -4.542 -17.138 -2.449 1.00 10.00 O ATOM 801 NE2 GLN A 58 -5.546 -16.020 -4.077 1.00 10.00 N ATOM 0 H GLN A 58 -4.630 -11.631 -4.078 1.00 10.00 H new ATOM 0 HA GLN A 58 -4.576 -13.615 -3.162 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -3.824 -14.464 -5.360 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -2.153 -14.220 -4.894 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -2.721 -16.567 -4.646 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -2.406 -15.878 -3.066 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -5.465 -15.387 -4.873 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -6.461 -16.375 -3.799 1.00 10.00 H new ATOM 810 N GLY A 59 -1.435 -12.879 -2.482 1.00 10.00 N ATOM 811 CA GLY A 59 -0.482 -12.782 -1.407 1.00 10.00 C ATOM 812 C GLY A 59 0.515 -11.675 -1.632 1.00 10.00 C ATOM 813 O GLY A 59 0.928 -11.015 -0.698 1.00 10.00 O ATOM 0 H GLY A 59 -1.074 -12.594 -3.392 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -1.010 -12.609 -0.469 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.046 -13.730 -1.305 1.00 10.00 H new ATOM 817 N VAL A 60 0.914 -11.461 -2.868 1.00 10.00 N ATOM 818 CA VAL A 60 1.868 -10.413 -3.139 1.00 10.00 C ATOM 819 C VAL A 60 1.224 -9.033 -3.073 1.00 10.00 C ATOM 820 O VAL A 60 0.132 -8.791 -3.628 1.00 10.00 O ATOM 821 CB VAL A 60 2.656 -10.596 -4.474 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.452 -11.878 -4.448 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.744 -10.568 -5.688 1.00 10.00 C ATOM 0 H VAL A 60 0.600 -11.987 -3.683 1.00 10.00 H new ATOM 0 HA VAL A 60 2.607 -10.492 -2.342 1.00 10.00 H new ATOM 0 HB VAL A 60 3.340 -9.752 -4.560 1.00 10.00 H new ATOM 0 HG11 VAL A 60 3.995 -11.988 -5.387 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.161 -11.849 -3.620 1.00 10.00 H new ATOM 0 HG13 VAL A 60 2.776 -12.723 -4.318 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.338 -10.699 -6.592 1.00 10.00 H new ATOM 0 HG22 VAL A 60 1.014 -11.374 -5.613 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.224 -9.611 -5.731 1.00 10.00 H new ATOM 833 N PHE A 61 1.863 -8.173 -2.340 1.00 10.00 N ATOM 834 CA PHE A 61 1.453 -6.803 -2.196 1.00 10.00 C ATOM 835 C PHE A 61 2.170 -5.924 -3.207 1.00 10.00 C ATOM 836 O PHE A 61 3.397 -6.016 -3.356 1.00 10.00 O ATOM 837 CB PHE A 61 1.906 -6.294 -0.844 1.00 10.00 C ATOM 838 CG PHE A 61 0.880 -6.022 0.193 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.265 -5.294 -0.088 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.099 -6.451 1.483 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.167 -5.012 0.913 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.217 -6.164 2.483 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.914 -5.448 2.201 1.00 10.00 C ATOM 0 H PHE A 61 2.704 -8.406 -1.812 1.00 10.00 H new ATOM 0 HA PHE A 61 0.372 -6.764 -2.326 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.606 -7.022 -0.434 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.464 -5.372 -1.007 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.450 -4.947 -1.094 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.986 -7.025 1.707 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.066 -4.454 0.694 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.410 -6.500 3.491 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.615 -5.221 2.991 1.00 10.00 H new ATOM 853 N PHE A 62 1.436 -5.110 -3.901 1.00 10.00 N ATOM 854 CA PHE A 62 2.017 -4.026 -4.647 1.00 10.00 C ATOM 855 C PHE A 62 1.324 -2.772 -4.195 1.00 10.00 C ATOM 856 O PHE A 62 0.117 -2.654 -4.332 1.00 10.00 O ATOM 857 CB PHE A 62 1.914 -4.185 -6.166 1.00 10.00 C ATOM 858 CG PHE A 62 2.547 -3.029 -6.906 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.926 -2.927 -6.999 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.765 -2.028 -7.474 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.515 -1.858 -7.644 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.348 -0.956 -8.115 1.00 10.00 C ATOM 863 CZ PHE A 62 3.725 -0.870 -8.203 1.00 10.00 C ATOM 0 H PHE A 62 0.420 -5.174 -3.969 1.00 10.00 H new ATOM 0 HA PHE A 62 3.088 -4.000 -4.448 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.398 -5.115 -6.466 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.865 -4.266 -6.451 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.548 -3.694 -6.561 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.689 -2.092 -7.412 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.591 -1.793 -7.712 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.730 -0.184 -8.548 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.183 -0.032 -8.708 1.00 10.00 H new ATOM 873 N GLN A 63 2.055 -1.867 -3.638 1.00 10.00 N ATOM 874 CA GLN A 63 1.465 -0.697 -3.045 1.00 10.00 C ATOM 875 C GLN A 63 2.324 0.478 -3.411 1.00 10.00 C ATOM 876 O GLN A 63 3.540 0.429 -3.208 1.00 10.00 O ATOM 877 CB GLN A 63 1.507 -0.904 -1.526 1.00 10.00 C ATOM 878 CG GLN A 63 0.498 -0.146 -0.661 1.00 10.00 C ATOM 879 CD GLN A 63 0.536 1.382 -0.690 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.486 2.020 -0.536 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.695 1.974 -0.829 1.00 10.00 N ATOM 0 H GLN A 63 3.072 -1.909 -3.577 1.00 10.00 H new ATOM 0 HA GLN A 63 0.443 -0.529 -3.383 1.00 10.00 H new ATOM 0 HB2 GLN A 63 1.377 -1.969 -1.332 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.506 -0.637 -1.182 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.502 -0.461 -0.960 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.637 -0.464 0.372 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.540 1.417 -0.957 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.753 2.992 -0.809 1.00 10.00 H new ATOM 890 N TRP A 64 1.750 1.518 -3.935 1.00 10.00 N ATOM 891 CA TRP A 64 2.528 2.683 -4.189 1.00 10.00 C ATOM 892 C TRP A 64 1.699 3.913 -3.879 1.00 10.00 C ATOM 893 O TRP A 64 0.463 3.840 -3.825 1.00 10.00 O ATOM 894 CB TRP A 64 3.090 2.715 -5.625 1.00 10.00 C ATOM 895 CG TRP A 64 2.277 3.352 -6.682 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.612 4.486 -7.344 1.00 10.00 C ATOM 897 CD2 TRP A 64 1.026 2.935 -7.207 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.674 4.791 -8.256 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.676 3.863 -8.197 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.173 1.875 -6.946 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.489 3.764 -8.922 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -0.990 1.781 -7.662 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.313 2.718 -8.639 1.00 10.00 C ATOM 0 H TRP A 64 0.764 1.581 -4.190 1.00 10.00 H new ATOM 0 HA TRP A 64 3.399 2.666 -3.534 1.00 10.00 H new ATOM 0 HB2 TRP A 64 4.053 3.225 -5.594 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.284 1.686 -5.929 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.507 5.063 -7.164 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.703 5.589 -8.891 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.420 1.139 -6.195 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.740 4.487 -9.685 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.669 0.965 -7.465 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.239 2.613 -9.185 1.00 10.00 H new ATOM 914 N LEU A 65 2.351 5.016 -3.672 1.00 10.00 N ATOM 915 CA LEU A 65 1.666 6.227 -3.328 1.00 10.00 C ATOM 916 C LEU A 65 2.314 7.431 -3.967 1.00 10.00 C ATOM 917 O LEU A 65 3.539 7.475 -4.145 1.00 10.00 O ATOM 918 CB LEU A 65 1.576 6.425 -1.800 1.00 10.00 C ATOM 919 CG LEU A 65 2.897 6.516 -1.033 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.655 7.138 0.314 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.551 5.148 -0.837 1.00 10.00 C ATOM 0 H LEU A 65 3.365 5.104 -3.736 1.00 10.00 H new ATOM 0 HA LEU A 65 0.653 6.130 -3.718 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.010 7.337 -1.609 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.999 5.599 -1.385 1.00 10.00 H new ATOM 0 HG LEU A 65 3.574 7.130 -1.627 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.596 7.202 0.859 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.242 8.138 0.184 1.00 10.00 H new ATOM 0 HD13 LEU A 65 1.951 6.525 0.877 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.485 5.267 -0.288 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.879 4.501 -0.274 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.756 4.700 -1.809 1.00 10.00 H new ATOM 933 N GLU A 66 1.491 8.372 -4.326 1.00 10.00 N ATOM 934 CA GLU A 66 1.883 9.624 -4.890 1.00 10.00 C ATOM 935 C GLU A 66 1.754 10.655 -3.762 1.00 10.00 C ATOM 936 O GLU A 66 0.682 10.792 -3.180 1.00 10.00 O ATOM 937 CB GLU A 66 0.859 10.061 -5.961 1.00 10.00 C ATOM 938 CG GLU A 66 0.448 9.081 -7.071 1.00 10.00 C ATOM 939 CD GLU A 66 -0.709 9.671 -7.930 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.447 10.443 -8.877 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.911 9.405 -7.631 1.00 10.00 O ATOM 0 H GLU A 66 0.480 8.280 -4.227 1.00 10.00 H new ATOM 0 HA GLU A 66 2.883 9.547 -5.318 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -0.050 10.360 -5.439 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.256 10.953 -6.446 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.306 8.865 -7.708 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.133 8.136 -6.629 1.00 10.00 H new ATOM 948 N GLY A 67 2.787 11.360 -3.455 1.00 10.00 N ATOM 949 CA GLY A 67 2.674 12.363 -2.434 1.00 10.00 C ATOM 950 C GLY A 67 3.871 13.264 -2.421 1.00 10.00 C ATOM 951 O GLY A 67 4.791 13.034 -3.173 1.00 10.00 O ATOM 0 H GLY A 67 3.708 11.270 -3.883 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.773 12.954 -2.600 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.566 11.884 -1.461 1.00 10.00 H new ATOM 955 N HIS A 68 3.856 14.300 -1.600 1.00 10.00 N ATOM 956 CA HIS A 68 5.036 15.159 -1.444 1.00 10.00 C ATOM 957 C HIS A 68 6.107 14.353 -0.705 1.00 10.00 C ATOM 958 O HIS A 68 5.815 13.835 0.343 1.00 10.00 O ATOM 959 CB HIS A 68 4.674 16.441 -0.661 1.00 10.00 C ATOM 960 CG HIS A 68 5.831 17.258 -0.251 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.453 17.141 0.968 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.472 18.166 -0.906 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.460 17.965 1.021 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.500 18.618 -0.116 1.00 10.00 N ATOM 0 H HIS A 68 3.053 14.572 -1.033 1.00 10.00 H new ATOM 0 HA HIS A 68 5.410 15.471 -2.419 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.014 17.052 -1.276 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.111 16.160 0.229 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.240 18.511 -1.903 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.140 18.088 1.851 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.178 19.337 -0.369 1.00 10.00 H new ATOM 973 N PRO A 69 7.363 14.282 -1.244 1.00 10.00 N ATOM 974 CA PRO A 69 8.466 13.410 -0.760 1.00 10.00 C ATOM 975 C PRO A 69 8.499 13.118 0.743 1.00 10.00 C ATOM 976 O PRO A 69 8.497 11.963 1.140 1.00 10.00 O ATOM 977 CB PRO A 69 9.739 14.142 -1.211 1.00 10.00 C ATOM 978 CG PRO A 69 9.265 15.335 -1.997 1.00 10.00 C ATOM 979 CD PRO A 69 7.842 15.062 -2.374 1.00 10.00 C ATOM 0 HA PRO A 69 8.342 12.410 -1.175 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.338 14.450 -0.354 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.367 13.494 -1.823 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.340 16.245 -1.402 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.879 15.483 -2.885 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.272 15.982 -2.503 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.769 14.508 -3.310 1.00 10.00 H new ATOM 987 N ALA A 70 8.485 14.139 1.565 1.00 10.00 N ATOM 988 CA ALA A 70 8.578 13.933 3.008 1.00 10.00 C ATOM 989 C ALA A 70 7.359 13.307 3.624 1.00 10.00 C ATOM 990 O ALA A 70 7.451 12.648 4.662 1.00 10.00 O ATOM 991 CB ALA A 70 8.958 15.178 3.729 1.00 10.00 C ATOM 0 H ALA A 70 8.411 15.114 1.274 1.00 10.00 H new ATOM 0 HA ALA A 70 9.381 13.206 3.129 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.015 14.976 4.799 1.00 10.00 H new ATOM 0 HB2 ALA A 70 9.929 15.523 3.373 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.209 15.948 3.544 1.00 10.00 H new ATOM 997 N ALA A 71 6.255 13.493 3.011 1.00 10.00 N ATOM 998 CA ALA A 71 5.041 12.898 3.471 1.00 10.00 C ATOM 999 C ALA A 71 5.107 11.432 3.191 1.00 10.00 C ATOM 1000 O ALA A 71 4.740 10.598 4.016 1.00 10.00 O ATOM 1001 CB ALA A 71 3.908 13.463 2.718 1.00 10.00 C ATOM 0 H ALA A 71 6.156 14.063 2.171 1.00 10.00 H new ATOM 0 HA ALA A 71 4.910 13.087 4.537 1.00 10.00 H new ATOM 0 HB1 ALA A 71 2.979 13.012 3.066 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.869 14.541 2.874 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.037 13.255 1.656 1.00 10.00 H new ATOM 1007 N VAL A 72 5.621 11.141 2.013 1.00 10.00 N ATOM 1008 CA VAL A 72 5.782 9.796 1.529 1.00 10.00 C ATOM 1009 C VAL A 72 6.774 9.104 2.421 1.00 10.00 C ATOM 1010 O VAL A 72 6.611 7.958 2.745 1.00 10.00 O ATOM 1011 CB VAL A 72 6.356 9.763 0.088 1.00 10.00 C ATOM 1012 CG1 VAL A 72 5.982 8.514 -0.601 1.00 10.00 C ATOM 1013 CG2 VAL A 72 5.937 10.935 -0.731 1.00 10.00 C ATOM 0 H VAL A 72 5.943 11.852 1.356 1.00 10.00 H new ATOM 0 HA VAL A 72 4.805 9.313 1.528 1.00 10.00 H new ATOM 0 HB VAL A 72 7.440 9.810 0.194 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.397 8.516 -1.609 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.376 7.661 -0.048 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.896 8.440 -0.656 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.370 10.855 -1.728 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.850 10.955 -0.808 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.284 11.853 -0.257 1.00 10.00 H new ATOM 1023 N ALA A 73 7.800 9.835 2.814 1.00 10.00 N ATOM 1024 CA ALA A 73 8.836 9.323 3.675 1.00 10.00 C ATOM 1025 C ALA A 73 8.373 9.106 5.103 1.00 10.00 C ATOM 1026 O ALA A 73 8.837 8.206 5.743 1.00 10.00 O ATOM 1027 CB ALA A 73 10.027 10.193 3.660 1.00 10.00 C ATOM 0 H ALA A 73 7.934 10.808 2.539 1.00 10.00 H new ATOM 0 HA ALA A 73 9.100 8.347 3.269 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.789 9.778 4.320 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.420 10.254 2.645 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.753 11.190 4.004 1.00 10.00 H new ATOM 1033 N GLU A 74 7.494 9.954 5.602 1.00 10.00 N ATOM 1034 CA GLU A 74 6.891 9.772 6.953 1.00 10.00 C ATOM 1035 C GLU A 74 6.181 8.437 6.913 1.00 10.00 C ATOM 1036 O GLU A 74 6.332 7.585 7.805 1.00 10.00 O ATOM 1037 CB GLU A 74 5.891 10.918 7.207 1.00 10.00 C ATOM 1038 CG GLU A 74 5.567 11.275 8.671 1.00 10.00 C ATOM 1039 CD GLU A 74 4.905 10.197 9.508 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.804 9.750 9.161 1.00 10.00 O ATOM 1041 OE2 GLU A 74 5.451 9.858 10.584 1.00 10.00 O ATOM 0 H GLU A 74 7.167 10.784 5.108 1.00 10.00 H new ATOM 0 HA GLU A 74 7.633 9.790 7.752 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.277 11.814 6.721 1.00 10.00 H new ATOM 0 HB3 GLU A 74 4.955 10.663 6.709 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.495 11.565 9.163 1.00 10.00 H new ATOM 0 HG3 GLU A 74 4.919 12.151 8.671 1.00 10.00 H new ATOM 1048 N VAL A 75 5.473 8.255 5.824 1.00 10.00 N ATOM 1049 CA VAL A 75 4.845 7.022 5.499 1.00 10.00 C ATOM 1050 C VAL A 75 5.911 5.899 5.405 1.00 10.00 C ATOM 1051 O VAL A 75 5.775 4.888 6.074 1.00 10.00 O ATOM 1052 CB VAL A 75 4.027 7.179 4.182 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.585 5.858 3.626 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.812 8.060 4.420 1.00 10.00 C ATOM 0 H VAL A 75 5.321 8.987 5.130 1.00 10.00 H new ATOM 0 HA VAL A 75 4.144 6.739 6.284 1.00 10.00 H new ATOM 0 HB VAL A 75 4.687 7.645 3.450 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.019 6.020 2.709 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.459 5.244 3.409 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.955 5.349 4.355 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.249 8.162 3.492 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.177 7.607 5.182 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.137 9.044 4.757 1.00 10.00 H new ATOM 1064 N MET A 76 6.977 6.103 4.594 1.00 10.00 N ATOM 1065 CA MET A 76 8.087 5.157 4.472 1.00 10.00 C ATOM 1066 C MET A 76 8.662 4.776 5.811 1.00 10.00 C ATOM 1067 O MET A 76 8.775 3.628 6.085 1.00 10.00 O ATOM 1068 CB MET A 76 9.227 5.709 3.602 1.00 10.00 C ATOM 1069 CG MET A 76 8.888 6.044 2.167 1.00 10.00 C ATOM 1070 SD MET A 76 8.719 4.658 1.034 1.00 10.00 S ATOM 1071 CE MET A 76 7.186 3.954 1.583 1.00 10.00 C ATOM 0 H MET A 76 7.081 6.933 4.010 1.00 10.00 H new ATOM 0 HA MET A 76 7.659 4.275 3.996 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.613 6.610 4.079 1.00 10.00 H new ATOM 0 HB3 MET A 76 10.036 4.979 3.598 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.954 6.605 2.160 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.662 6.708 1.780 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.593 3.655 0.719 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.388 3.081 2.204 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.634 4.693 2.164 1.00 10.00 H new ATOM 1081 N SER A 77 9.004 5.742 6.629 1.00 10.00 N ATOM 1082 CA SER A 77 9.610 5.483 7.922 1.00 10.00 C ATOM 1083 C SER A 77 8.749 4.599 8.800 1.00 10.00 C ATOM 1084 O SER A 77 9.262 3.698 9.444 1.00 10.00 O ATOM 1085 CB SER A 77 9.983 6.780 8.621 1.00 10.00 C ATOM 1086 OG SER A 77 10.833 7.566 7.797 1.00 10.00 O ATOM 0 H SER A 77 8.872 6.732 6.421 1.00 10.00 H new ATOM 0 HA SER A 77 10.529 4.927 7.737 1.00 10.00 H new ATOM 0 HB2 SER A 77 9.081 7.342 8.862 1.00 10.00 H new ATOM 0 HB3 SER A 77 10.484 6.560 9.564 1.00 10.00 H new ATOM 0 HG SER A 77 10.318 7.926 7.045 1.00 10.00 H new ATOM 1092 N HIS A 78 7.453 4.827 8.820 1.00 10.00 N ATOM 1093 CA HIS A 78 6.600 3.906 9.604 1.00 10.00 C ATOM 1094 C HIS A 78 6.455 2.567 8.883 1.00 10.00 C ATOM 1095 O HIS A 78 6.588 1.513 9.479 1.00 10.00 O ATOM 1096 CB HIS A 78 5.230 4.485 9.944 1.00 10.00 C ATOM 1097 CG HIS A 78 5.262 5.629 10.894 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.606 5.639 12.112 1.00 10.00 N ATOM 1099 CD2 HIS A 78 5.836 6.828 10.777 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.787 6.811 12.681 1.00 10.00 C ATOM 1101 NE2 HIS A 78 5.531 7.549 11.883 1.00 10.00 N ATOM 0 H HIS A 78 6.972 5.588 8.341 1.00 10.00 H new ATOM 0 HA HIS A 78 7.109 3.753 10.556 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.747 4.808 9.022 1.00 10.00 H new ATOM 0 HB3 HIS A 78 4.611 3.695 10.368 1.00 10.00 H new ATOM 0 HD2 HIS A 78 6.438 7.165 9.946 1.00 10.00 H new ATOM 0 HE1 HIS A 78 4.393 7.116 13.639 1.00 10.00 H new ATOM 0 HE2 HIS A 78 5.829 8.507 12.067 1.00 10.00 H new ATOM 1110 N ILE A 79 6.254 2.640 7.588 1.00 10.00 N ATOM 1111 CA ILE A 79 6.098 1.474 6.732 1.00 10.00 C ATOM 1112 C ILE A 79 7.331 0.531 6.759 1.00 10.00 C ATOM 1113 O ILE A 79 7.202 -0.662 6.899 1.00 10.00 O ATOM 1114 CB ILE A 79 5.715 1.927 5.284 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.198 2.149 5.156 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.279 1.060 4.190 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.730 2.446 3.751 1.00 10.00 C ATOM 0 H ILE A 79 6.192 3.525 7.085 1.00 10.00 H new ATOM 0 HA ILE A 79 5.281 0.872 7.130 1.00 10.00 H new ATOM 0 HB ILE A 79 6.204 2.889 5.130 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.681 1.261 5.519 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.907 2.975 5.806 1.00 10.00 H new ATOM 0 HG21 ILE A 79 5.964 1.446 3.221 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.368 1.065 4.246 1.00 10.00 H new ATOM 0 HG23 ILE A 79 5.914 0.040 4.310 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.649 2.589 3.750 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.216 3.352 3.389 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.986 1.612 3.098 1.00 10.00 H new ATOM 1129 N GLN A 80 8.497 1.085 6.611 1.00 10.00 N ATOM 1130 CA GLN A 80 9.756 0.369 6.668 1.00 10.00 C ATOM 1131 C GLN A 80 10.116 -0.101 8.085 1.00 10.00 C ATOM 1132 O GLN A 80 11.140 -0.741 8.291 1.00 10.00 O ATOM 1133 CB GLN A 80 10.838 1.250 6.037 1.00 10.00 C ATOM 1134 CG GLN A 80 10.504 1.591 4.582 1.00 10.00 C ATOM 1135 CD GLN A 80 10.464 0.392 3.758 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.459 -0.003 3.161 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.385 -0.220 3.734 1.00 10.00 N ATOM 0 H GLN A 80 8.612 2.084 6.441 1.00 10.00 H new ATOM 0 HA GLN A 80 9.668 -0.555 6.097 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.942 2.170 6.613 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.798 0.736 6.080 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.541 2.099 4.536 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.248 2.282 4.187 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.581 0.144 4.245 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.302 -1.087 3.203 1.00 10.00 H new ATOM 1146 N ARG A 81 9.286 0.251 9.041 1.00 10.00 N ATOM 1147 CA ARG A 81 9.392 -0.254 10.399 1.00 10.00 C ATOM 1148 C ARG A 81 8.247 -1.220 10.704 1.00 10.00 C ATOM 1149 O ARG A 81 8.003 -1.551 11.876 1.00 10.00 O ATOM 1150 CB ARG A 81 9.326 0.868 11.406 1.00 10.00 C ATOM 1151 CG ARG A 81 10.530 1.743 11.501 1.00 10.00 C ATOM 1152 CD ARG A 81 10.304 2.819 12.547 1.00 10.00 C ATOM 1153 NE ARG A 81 9.845 2.237 13.825 1.00 10.00 N ATOM 1154 CZ ARG A 81 10.502 2.287 14.987 1.00 10.00 C ATOM 1155 NH1 ARG A 81 11.689 2.889 15.074 1.00 10.00 N ATOM 1156 NH2 ARG A 81 9.967 1.733 16.060 1.00 10.00 N ATOM 0 H ARG A 81 8.512 0.900 8.901 1.00 10.00 H new ATOM 0 HA ARG A 81 10.353 -0.764 10.474 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.467 1.494 11.165 1.00 10.00 H new ATOM 0 HB3 ARG A 81 9.139 0.435 12.389 1.00 10.00 H new ATOM 0 HG2 ARG A 81 11.404 1.147 11.763 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.735 2.201 10.533 1.00 10.00 H new ATOM 0 HD2 ARG A 81 11.229 3.372 12.708 1.00 10.00 H new ATOM 0 HD3 ARG A 81 9.565 3.533 12.184 1.00 10.00 H new ATOM 0 HE ARG A 81 8.947 1.754 13.820 1.00 10.00 H new ATOM 0 HH11 ARG A 81 12.105 3.318 14.247 1.00 10.00 H new ATOM 0 HH12 ARG A 81 12.181 2.920 15.967 1.00 10.00 H new ATOM 0 HH21 ARG A 81 9.059 1.272 15.997 1.00 10.00 H new ATOM 0 HH22 ARG A 81 10.461 1.766 16.952 1.00 10.00 H new ATOM 1170 N ASP A 82 7.576 -1.689 9.676 1.00 10.00 N ATOM 1171 CA ASP A 82 6.393 -2.536 9.849 1.00 10.00 C ATOM 1172 C ASP A 82 6.782 -4.017 10.016 1.00 10.00 C ATOM 1173 O ASP A 82 7.877 -4.353 10.482 1.00 10.00 O ATOM 1174 CB ASP A 82 5.515 -2.404 8.630 1.00 10.00 C ATOM 1175 CG ASP A 82 4.035 -2.585 8.836 1.00 10.00 C ATOM 1176 OD1 ASP A 82 3.631 -3.635 9.293 1.00 10.00 O ATOM 1177 OD2 ASP A 82 3.282 -1.731 8.369 1.00 10.00 O ATOM 0 H ASP A 82 7.822 -1.503 8.704 1.00 10.00 H new ATOM 0 HA ASP A 82 5.868 -2.211 10.747 1.00 10.00 H new ATOM 0 HB2 ASP A 82 5.680 -1.417 8.198 1.00 10.00 H new ATOM 0 HB3 ASP A 82 5.847 -3.134 7.892 1.00 10.00 H new ATOM 1182 N ARG A 83 5.870 -4.875 9.596 1.00 10.00 N ATOM 1183 CA ARG A 83 5.888 -6.293 9.812 1.00 10.00 C ATOM 1184 C ARG A 83 4.719 -6.971 9.028 1.00 10.00 C ATOM 1185 O ARG A 83 4.887 -8.046 8.471 1.00 10.00 O ATOM 1186 CB ARG A 83 5.712 -6.493 11.320 1.00 10.00 C ATOM 1187 CG ARG A 83 4.552 -5.659 11.875 1.00 10.00 C ATOM 1188 CD ARG A 83 4.594 -5.542 13.384 1.00 10.00 C ATOM 1189 NE ARG A 83 5.758 -4.754 13.833 1.00 10.00 N ATOM 1190 CZ ARG A 83 5.689 -3.628 14.567 1.00 10.00 C ATOM 1191 NH1 ARG A 83 4.513 -3.104 14.887 1.00 10.00 N ATOM 1192 NH2 ARG A 83 6.799 -3.021 14.959 1.00 10.00 N ATOM 0 H ARG A 83 5.053 -4.573 9.065 1.00 10.00 H new ATOM 0 HA ARG A 83 6.816 -6.742 9.460 1.00 10.00 H new ATOM 0 HB2 ARG A 83 5.533 -7.548 11.528 1.00 10.00 H new ATOM 0 HB3 ARG A 83 6.634 -6.219 11.833 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.582 -4.662 11.435 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.607 -6.111 11.575 1.00 10.00 H new ATOM 0 HD2 ARG A 83 3.677 -5.073 13.739 1.00 10.00 H new ATOM 0 HD3 ARG A 83 4.635 -6.537 13.826 1.00 10.00 H new ATOM 0 HE ARG A 83 6.684 -5.088 13.567 1.00 10.00 H new ATOM 0 HH11 ARG A 83 3.652 -3.555 14.576 1.00 10.00 H new ATOM 0 HH12 ARG A 83 4.470 -2.250 15.444 1.00 10.00 H new ATOM 0 HH21 ARG A 83 7.708 -3.407 14.705 1.00 10.00 H new ATOM 0 HH22 ARG A 83 6.744 -2.168 15.515 1.00 10.00 H new ATOM 1206 N ARG A 84 3.558 -6.274 8.961 1.00 10.00 N ATOM 1207 CA ARG A 84 2.304 -6.751 8.334 1.00 10.00 C ATOM 1208 C ARG A 84 2.526 -7.040 6.847 1.00 10.00 C ATOM 1209 O ARG A 84 2.225 -8.086 6.333 1.00 10.00 O ATOM 1210 CB ARG A 84 1.267 -5.645 8.457 1.00 10.00 C ATOM 1211 CG ARG A 84 1.113 -5.081 9.858 1.00 10.00 C ATOM 1212 CD ARG A 84 0.230 -3.878 9.817 1.00 10.00 C ATOM 1213 NE ARG A 84 0.365 -3.020 11.004 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.611 -2.257 11.489 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -1.886 -2.532 11.170 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -0.325 -1.286 12.375 1.00 10.00 N ATOM 0 H ARG A 84 3.467 -5.337 9.354 1.00 10.00 H new ATOM 0 HA ARG A 84 1.975 -7.664 8.830 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.537 -4.834 7.780 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.303 -6.030 8.126 1.00 10.00 H new ATOM 0 HG2 ARG A 84 0.687 -5.835 10.520 1.00 10.00 H new ATOM 0 HG3 ARG A 84 2.089 -4.815 10.264 1.00 10.00 H new ATOM 0 HD2 ARG A 84 0.463 -3.294 8.926 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -0.807 -4.200 9.725 1.00 10.00 H new ATOM 0 HE ARG A 84 1.264 -3.009 11.486 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -2.100 -3.321 10.560 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -2.640 -1.952 11.538 1.00 10.00 H new ATOM 0 HH21 ARG A 84 0.639 -1.136 12.674 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -1.072 -0.700 12.748 1.00 10.00 H new ATOM 1230 N HIS A 85 3.024 -6.076 6.178 1.00 10.00 N ATOM 1231 CA HIS A 85 3.428 -6.198 4.807 1.00 10.00 C ATOM 1232 C HIS A 85 4.831 -6.698 4.791 1.00 10.00 C ATOM 1233 O HIS A 85 5.767 -5.938 4.926 1.00 10.00 O ATOM 1234 CB HIS A 85 3.218 -4.910 3.956 1.00 10.00 C ATOM 1235 CG HIS A 85 3.681 -3.598 4.544 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.579 -2.415 3.887 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.176 -3.275 5.754 1.00 10.00 C ATOM 1238 CE1 HIS A 85 3.990 -1.462 4.669 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.335 -1.948 5.793 1.00 10.00 N ATOM 0 H HIS A 85 3.173 -5.145 6.567 1.00 10.00 H new ATOM 0 HA HIS A 85 2.774 -6.915 4.311 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.729 -5.050 3.004 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.154 -4.823 3.737 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.404 -3.966 6.552 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.032 -0.416 4.405 1.00 10.00 H new ATOM 0 HE2 HIS A 85 4.676 -1.414 6.592 1.00 10.00 H new ATOM 1248 N SER A 86 4.910 -7.989 4.568 1.00 10.00 N ATOM 1249 CA SER A 86 6.047 -8.864 4.767 1.00 10.00 C ATOM 1250 C SER A 86 7.417 -8.216 4.915 1.00 10.00 C ATOM 1251 O SER A 86 8.015 -8.271 5.980 1.00 10.00 O ATOM 1252 CB SER A 86 5.987 -9.965 3.744 1.00 10.00 C ATOM 1253 OG SER A 86 6.784 -11.082 4.074 1.00 10.00 O ATOM 0 H SER A 86 4.106 -8.503 4.209 1.00 10.00 H new ATOM 0 HA SER A 86 5.943 -9.278 5.770 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.952 -10.288 3.629 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.307 -9.572 2.779 1.00 10.00 H new ATOM 0 HG SER A 86 6.701 -11.762 3.373 1.00 10.00 H new ATOM 1259 N ASN A 87 7.887 -7.617 3.895 1.00 10.00 N ATOM 1260 CA ASN A 87 9.231 -7.016 3.944 1.00 10.00 C ATOM 1261 C ASN A 87 9.196 -5.558 3.674 1.00 10.00 C ATOM 1262 O ASN A 87 10.052 -4.799 4.134 1.00 10.00 O ATOM 1263 CB ASN A 87 10.227 -7.642 2.955 1.00 10.00 C ATOM 1264 CG ASN A 87 10.269 -9.148 2.902 1.00 10.00 C ATOM 1265 OD1 ASN A 87 10.008 -9.847 3.882 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.598 -9.658 1.743 1.00 10.00 N ATOM 0 H ASN A 87 7.397 -7.510 3.007 1.00 10.00 H new ATOM 0 HA ASN A 87 9.572 -7.214 4.960 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.994 -7.272 1.957 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.225 -7.282 3.203 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.646 -10.670 1.626 1.00 10.00 H new ATOM 0 HD22 ASN A 87 10.807 -9.043 0.956 1.00 10.00 H new ATOM 1273 N VAL A 88 8.151 -5.187 3.047 1.00 10.00 N ATOM 1274 CA VAL A 88 7.992 -3.933 2.415 1.00 10.00 C ATOM 1275 C VAL A 88 9.226 -3.346 1.762 1.00 10.00 C ATOM 1276 O VAL A 88 9.911 -2.492 2.303 1.00 10.00 O ATOM 1277 CB VAL A 88 7.079 -2.943 3.144 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.503 -2.605 4.522 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.847 -1.705 2.360 1.00 10.00 C ATOM 0 H VAL A 88 7.330 -5.785 2.953 1.00 10.00 H new ATOM 0 HA VAL A 88 7.401 -4.195 1.537 1.00 10.00 H new ATOM 0 HB VAL A 88 6.137 -3.483 3.240 1.00 10.00 H new ATOM 0 HG11 VAL A 88 6.796 -1.899 4.957 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.529 -3.511 5.127 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.496 -2.156 4.497 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.194 -1.036 2.921 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.799 -1.209 2.173 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.377 -1.959 1.410 1.00 10.00 H new ATOM 1289 N GLU A 89 9.508 -3.849 0.606 1.00 10.00 N ATOM 1290 CA GLU A 89 10.630 -3.392 -0.150 1.00 10.00 C ATOM 1291 C GLU A 89 10.143 -2.451 -1.195 1.00 10.00 C ATOM 1292 O GLU A 89 9.548 -2.878 -2.194 1.00 10.00 O ATOM 1293 CB GLU A 89 11.354 -4.558 -0.778 1.00 10.00 C ATOM 1294 CG GLU A 89 11.789 -5.544 0.243 1.00 10.00 C ATOM 1295 CD GLU A 89 12.119 -6.891 -0.315 1.00 10.00 C ATOM 1296 OE1 GLU A 89 11.196 -7.735 -0.435 1.00 10.00 O ATOM 1297 OE2 GLU A 89 13.289 -7.145 -0.646 1.00 10.00 O ATOM 0 H GLU A 89 8.968 -4.589 0.157 1.00 10.00 H new ATOM 0 HA GLU A 89 11.335 -2.880 0.505 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.701 -5.046 -1.501 1.00 10.00 H new ATOM 0 HB3 GLU A 89 12.223 -4.195 -1.327 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.664 -5.153 0.762 1.00 10.00 H new ATOM 0 HG3 GLU A 89 11.000 -5.654 0.987 1.00 10.00 H new ATOM 1304 N ILE A 90 10.237 -1.181 -0.861 1.00 10.00 N ATOM 1305 CA ILE A 90 9.980 -0.070 -1.760 1.00 10.00 C ATOM 1306 C ILE A 90 10.654 -0.345 -3.055 1.00 10.00 C ATOM 1307 O ILE A 90 10.027 -0.709 -4.015 1.00 10.00 O ATOM 1308 CB ILE A 90 10.460 1.292 -1.141 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.219 1.326 0.362 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.747 2.488 -1.763 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.792 1.083 0.754 1.00 10.00 C ATOM 0 H ILE A 90 10.504 -0.881 0.077 1.00 10.00 H new ATOM 0 HA ILE A 90 8.906 0.026 -1.922 1.00 10.00 H new ATOM 0 HB ILE A 90 11.527 1.361 -1.353 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.849 0.575 0.838 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.532 2.296 0.748 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.111 3.407 -1.304 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.946 2.514 -2.834 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.674 2.399 -1.596 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.701 1.123 1.839 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.157 1.848 0.308 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.480 0.101 0.400 1.00 10.00 H new ATOM 1323 N LEU A 91 11.922 -0.216 -3.044 1.00 10.00 N ATOM 1324 CA LEU A 91 12.804 -0.517 -4.152 1.00 10.00 C ATOM 1325 C LEU A 91 12.689 0.519 -5.284 1.00 10.00 C ATOM 1326 O LEU A 91 13.642 0.745 -6.030 1.00 10.00 O ATOM 1327 CB LEU A 91 12.602 -1.961 -4.669 1.00 10.00 C ATOM 1328 CG LEU A 91 12.833 -3.098 -3.649 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.567 -4.435 -4.308 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.256 -3.057 -3.126 1.00 10.00 C ATOM 0 H LEU A 91 12.424 0.121 -2.223 1.00 10.00 H new ATOM 0 HA LEU A 91 13.823 -0.452 -3.771 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.585 -2.047 -5.051 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.274 -2.118 -5.513 1.00 10.00 H new ATOM 0 HG LEU A 91 12.149 -2.964 -2.811 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.731 -5.235 -3.586 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.536 -4.469 -4.659 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.243 -4.565 -5.153 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.403 -3.864 -2.408 1.00 10.00 H new ATOM 0 HD22 LEU A 91 14.952 -3.178 -3.956 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.437 -2.100 -2.637 1.00 10.00 H new ATOM 1342 N ALA A 92 11.539 1.160 -5.404 1.00 10.00 N ATOM 1343 CA ALA A 92 11.338 2.163 -6.423 1.00 10.00 C ATOM 1344 C ALA A 92 10.812 3.435 -5.813 1.00 10.00 C ATOM 1345 O ALA A 92 9.707 3.465 -5.277 1.00 10.00 O ATOM 1346 CB ALA A 92 10.383 1.669 -7.490 1.00 10.00 C ATOM 0 H ALA A 92 10.730 0.999 -4.803 1.00 10.00 H new ATOM 0 HA ALA A 92 12.302 2.365 -6.889 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.249 2.443 -8.245 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.792 0.773 -7.957 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.420 1.434 -7.036 1.00 10.00 H new ATOM 1352 N GLU A 93 11.606 4.463 -5.867 1.00 10.00 N ATOM 1353 CA GLU A 93 11.224 5.762 -5.382 1.00 10.00 C ATOM 1354 C GLU A 93 11.508 6.751 -6.495 1.00 10.00 C ATOM 1355 O GLU A 93 12.663 6.974 -6.858 1.00 10.00 O ATOM 1356 CB GLU A 93 12.032 6.119 -4.130 1.00 10.00 C ATOM 1357 CG GLU A 93 11.936 5.099 -3.035 1.00 10.00 C ATOM 1358 CD GLU A 93 12.858 5.380 -1.888 1.00 10.00 C ATOM 1359 OE1 GLU A 93 14.049 4.999 -1.956 1.00 10.00 O ATOM 1360 OE2 GLU A 93 12.420 5.978 -0.889 1.00 10.00 O ATOM 0 H GLU A 93 12.549 4.426 -6.253 1.00 10.00 H new ATOM 0 HA GLU A 93 10.169 5.781 -5.108 1.00 10.00 H new ATOM 0 HB2 GLU A 93 13.079 6.242 -4.408 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.688 7.081 -3.749 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.910 5.064 -2.669 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.163 4.114 -3.443 1.00 10.00 H new ATOM 1367 N GLU A 94 10.479 7.295 -7.066 1.00 10.00 N ATOM 1368 CA GLU A 94 10.625 8.199 -8.191 1.00 10.00 C ATOM 1369 C GLU A 94 9.934 9.527 -7.915 1.00 10.00 C ATOM 1370 O GLU A 94 8.923 9.570 -7.224 1.00 10.00 O ATOM 1371 CB GLU A 94 10.062 7.542 -9.461 1.00 10.00 C ATOM 1372 CG GLU A 94 8.619 7.074 -9.314 1.00 10.00 C ATOM 1373 CD GLU A 94 8.061 6.437 -10.555 1.00 10.00 C ATOM 1374 OE1 GLU A 94 7.865 7.134 -11.573 1.00 10.00 O ATOM 1375 OE2 GLU A 94 7.766 5.225 -10.522 1.00 10.00 O ATOM 0 H GLU A 94 9.514 7.134 -6.776 1.00 10.00 H new ATOM 0 HA GLU A 94 11.685 8.404 -8.341 1.00 10.00 H new ATOM 0 HB2 GLU A 94 10.123 8.252 -10.286 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.687 6.690 -9.727 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.560 6.361 -8.492 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.996 7.926 -9.042 1.00 10.00 H new ATOM 1382 N SER A 95 10.489 10.598 -8.422 1.00 10.00 N ATOM 1383 CA SER A 95 9.896 11.904 -8.266 1.00 10.00 C ATOM 1384 C SER A 95 8.831 12.103 -9.336 1.00 10.00 C ATOM 1385 O SER A 95 9.103 11.950 -10.523 1.00 10.00 O ATOM 1386 CB SER A 95 10.971 12.981 -8.362 1.00 10.00 C ATOM 1387 OG SER A 95 12.025 12.748 -7.423 1.00 10.00 O ATOM 0 H SER A 95 11.360 10.591 -8.952 1.00 10.00 H new ATOM 0 HA SER A 95 9.428 11.981 -7.285 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.379 13.001 -9.372 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.527 13.959 -8.178 1.00 10.00 H new ATOM 0 HG SER A 95 12.701 13.453 -7.508 1.00 10.00 H new ATOM 1393 N ILE A 96 7.625 12.408 -8.915 1.00 10.00 N ATOM 1394 CA ILE A 96 6.501 12.546 -9.837 1.00 10.00 C ATOM 1395 C ILE A 96 5.866 13.922 -9.862 1.00 10.00 C ATOM 1396 O ILE A 96 6.243 14.820 -9.108 1.00 10.00 O ATOM 1397 CB ILE A 96 5.398 11.559 -9.543 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.922 11.721 -8.113 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.883 10.146 -9.832 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.576 11.183 -7.831 1.00 10.00 C ATOM 0 H ILE A 96 7.388 12.568 -7.936 1.00 10.00 H new ATOM 0 HA ILE A 96 6.957 12.355 -10.808 1.00 10.00 H new ATOM 0 HB ILE A 96 4.544 11.754 -10.192 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.637 11.231 -7.452 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.931 12.782 -7.862 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.084 9.436 -9.618 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.168 10.067 -10.881 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.745 9.922 -9.204 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.330 11.349 -6.782 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.843 11.689 -8.460 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.560 10.114 -8.043 1.00 10.00 H new ATOM 1412 N ALA A 97 4.899 14.077 -10.766 1.00 10.00 N ATOM 1413 CA ALA A 97 4.080 15.283 -10.839 1.00 10.00 C ATOM 1414 C ALA A 97 2.714 15.016 -10.340 1.00 10.00 C ATOM 1415 O ALA A 97 1.865 15.925 -10.214 1.00 10.00 O ATOM 1416 CB ALA A 97 3.995 15.812 -12.211 1.00 10.00 C ATOM 0 H ALA A 97 4.663 13.372 -11.465 1.00 10.00 H new ATOM 0 HA ALA A 97 4.565 16.030 -10.211 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.376 16.709 -12.217 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.995 16.058 -12.569 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.551 15.060 -12.864 1.00 10.00 H new ATOM 1422 N LYS A 98 2.546 13.787 -10.024 1.00 10.00 N ATOM 1423 CA LYS A 98 1.373 13.219 -9.522 1.00 10.00 C ATOM 1424 C LYS A 98 0.170 13.454 -10.447 1.00 10.00 C ATOM 1425 O LYS A 98 0.348 13.687 -11.658 1.00 10.00 O ATOM 1426 CB LYS A 98 1.240 13.793 -8.159 1.00 10.00 C ATOM 1427 CG LYS A 98 0.412 13.056 -7.243 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.731 13.820 -6.724 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.417 14.199 -5.351 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.573 14.800 -4.658 1.00 10.00 N ATOM 0 H LYS A 98 3.296 13.102 -10.122 1.00 10.00 H new ATOM 0 HA LYS A 98 1.411 12.131 -9.472 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.236 13.883 -7.725 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.839 14.802 -8.249 1.00 10.00 H new ATOM 0 HG2 LYS A 98 0.041 12.162 -7.744 1.00 10.00 H new ATOM 0 HG3 LYS A 98 1.023 12.722 -6.405 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.910 14.705 -7.335 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.640 13.220 -6.758 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.083 13.319 -4.801 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.412 14.907 -5.352 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.430 14.742 -3.630 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.667 15.797 -4.939 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -2.439 14.285 -4.916 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.016 13.273 -9.895 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.296 13.525 -10.537 1.00 10.00 C ATOM 1446 C ARG A 99 -2.736 12.298 -11.333 1.00 10.00 C ATOM 1447 O ARG A 99 -3.415 12.393 -12.364 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.273 14.843 -11.381 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.631 15.344 -11.856 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.504 15.771 -10.684 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.826 16.236 -11.114 1.00 10.00 N ATOM 1452 CZ ARG A 99 -6.613 17.067 -10.415 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -6.163 17.650 -9.307 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -7.838 17.354 -10.857 1.00 10.00 N ATOM 0 H ARG A 99 -1.119 12.929 -8.940 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.050 13.692 -9.768 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.805 15.627 -10.785 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.639 14.684 -12.253 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.493 16.185 -12.535 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.134 14.558 -12.420 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.622 14.933 -9.998 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -4.003 16.567 -10.132 1.00 10.00 H new ATOM 0 HE ARG A 99 -6.174 15.902 -12.013 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -5.213 17.466 -8.984 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -6.768 18.281 -8.781 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -8.176 16.942 -11.726 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -8.437 17.986 -10.326 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.401 11.132 -10.822 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.787 9.920 -11.483 1.00 10.00 C ATOM 1470 C ARG A 100 -3.980 9.243 -10.829 1.00 10.00 C ATOM 1471 O ARG A 100 -4.918 8.833 -11.522 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.623 8.971 -11.576 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.428 9.593 -12.242 1.00 10.00 C ATOM 1474 CD ARG A 100 0.681 8.586 -12.426 1.00 10.00 C ATOM 1475 NE ARG A 100 0.260 7.484 -13.311 1.00 10.00 N ATOM 1476 CZ ARG A 100 1.071 6.742 -14.061 1.00 10.00 C ATOM 1477 NH1 ARG A 100 2.373 6.969 -14.073 1.00 10.00 N ATOM 1478 NH2 ARG A 100 0.562 5.786 -14.817 1.00 10.00 N ATOM 0 H ARG A 100 -1.869 11.006 -9.961 1.00 10.00 H new ATOM 0 HA ARG A 100 -3.100 10.200 -12.489 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.346 8.641 -10.575 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.925 8.084 -12.133 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.719 9.999 -13.211 1.00 10.00 H new ATOM 0 HG3 ARG A 100 -0.068 10.429 -11.642 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.557 9.079 -12.847 1.00 10.00 H new ATOM 0 HD3 ARG A 100 0.976 8.185 -11.456 1.00 10.00 H new ATOM 0 HE ARG A 100 -0.737 7.273 -13.352 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.765 7.719 -13.504 1.00 10.00 H new ATOM 0 HH12 ARG A 100 2.986 6.394 -14.652 1.00 10.00 H new ATOM 0 HH21 ARG A 100 -0.445 5.622 -14.823 1.00 10.00 H new ATOM 0 HH22 ARG A 100 1.176 5.212 -15.395 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.965 9.086 -9.511 1.00 10.00 N ATOM 1493 CA PHE A 101 -5.081 8.392 -8.871 1.00 10.00 C ATOM 1494 C PHE A 101 -6.012 9.272 -8.085 1.00 10.00 C ATOM 1495 O PHE A 101 -7.116 8.861 -7.748 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.643 7.135 -8.105 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.385 5.953 -9.008 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.335 5.957 -9.912 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.218 4.851 -8.970 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.121 4.887 -10.755 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.010 3.777 -9.809 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.959 3.793 -10.703 1.00 10.00 C ATOM 0 H PHE A 101 -3.229 9.413 -8.885 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.693 8.047 -9.704 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.738 7.358 -7.540 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.414 6.871 -7.381 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.675 6.810 -9.957 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.043 4.831 -8.274 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.299 4.906 -11.455 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.670 2.923 -9.767 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.793 2.952 -11.360 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.555 10.456 -7.789 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.317 11.532 -7.055 1.00 10.00 C ATOM 1514 C ALA A 102 -6.769 11.169 -5.610 1.00 10.00 C ATOM 1515 O ALA A 102 -7.130 12.053 -4.820 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.478 12.077 -7.884 1.00 10.00 C ATOM 0 H ALA A 102 -4.612 10.749 -8.044 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.582 12.326 -6.919 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.999 12.849 -7.317 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.095 12.504 -8.811 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.171 11.268 -8.116 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.759 9.913 -5.296 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.007 9.409 -3.973 1.00 10.00 C ATOM 1524 C GLY A 103 -6.277 8.102 -3.827 1.00 10.00 C ATOM 1525 O GLY A 103 -5.815 7.565 -4.836 1.00 10.00 O ATOM 0 H GLY A 103 -6.571 9.177 -5.977 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.664 10.122 -3.223 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.076 9.268 -3.814 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.116 7.601 -2.629 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.505 6.293 -2.425 1.00 10.00 C ATOM 1531 C TRP A 104 -6.570 5.204 -2.502 1.00 10.00 C ATOM 1532 O TRP A 104 -7.678 5.370 -1.998 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.642 6.271 -1.143 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.204 4.928 -0.654 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.033 4.270 -0.897 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -4.947 4.105 0.210 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.034 3.072 -0.241 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.208 2.954 0.448 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.186 4.238 0.801 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.692 1.952 1.260 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.648 3.292 1.568 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.925 2.161 1.808 1.00 10.00 C ATOM 0 H TRP A 104 -6.398 8.074 -1.770 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.801 6.080 -3.230 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.753 6.876 -1.321 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.204 6.757 -0.346 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.228 4.640 -1.514 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.284 2.381 -0.262 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.774 5.127 0.628 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.128 1.051 1.452 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.621 3.405 2.022 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.343 1.403 2.455 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.253 4.124 -3.183 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.215 3.085 -3.471 1.00 10.00 C ATOM 1555 C HIS A 105 -6.736 1.757 -2.928 1.00 10.00 C ATOM 1556 O HIS A 105 -5.555 1.462 -2.993 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.355 2.975 -4.989 1.00 10.00 C ATOM 1558 CG HIS A 105 -7.979 4.152 -5.671 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.280 5.282 -6.040 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.243 4.354 -6.074 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.104 6.119 -6.646 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.290 5.575 -6.677 1.00 10.00 N ATOM 0 H HIS A 105 -5.320 3.942 -3.552 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.169 3.332 -3.005 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.365 2.814 -5.416 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -7.948 2.090 -5.217 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.287 5.445 -5.872 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.071 3.673 -5.944 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -7.841 7.087 -7.047 1.00 10.00 H new ATOM 1571 N MET A 106 -7.624 0.960 -2.404 1.00 10.00 N ATOM 1572 CA MET A 106 -7.232 -0.349 -1.944 1.00 10.00 C ATOM 1573 C MET A 106 -8.016 -1.408 -2.688 1.00 10.00 C ATOM 1574 O MET A 106 -9.238 -1.432 -2.630 1.00 10.00 O ATOM 1575 CB MET A 106 -7.367 -0.507 -0.423 1.00 10.00 C ATOM 1576 CG MET A 106 -6.840 -1.851 0.060 1.00 10.00 C ATOM 1577 SD MET A 106 -6.739 -2.019 1.843 1.00 10.00 S ATOM 1578 CE MET A 106 -5.971 -3.640 1.964 1.00 10.00 C ATOM 0 H MET A 106 -8.611 1.186 -2.284 1.00 10.00 H new ATOM 0 HA MET A 106 -6.171 -0.476 -2.162 1.00 10.00 H new ATOM 0 HB2 MET A 106 -6.823 0.296 0.075 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.415 -0.405 -0.140 1.00 10.00 H new ATOM 0 HG2 MET A 106 -7.484 -2.640 -0.330 1.00 10.00 H new ATOM 0 HG3 MET A 106 -5.848 -2.010 -0.363 1.00 10.00 H new ATOM 0 HE1 MET A 106 -6.630 -4.315 2.511 1.00 10.00 H new ATOM 0 HE2 MET A 106 -5.796 -4.035 0.963 1.00 10.00 H new ATOM 0 HE3 MET A 106 -5.021 -3.554 2.491 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.300 -2.268 -3.397 1.00 10.00 N ATOM 1589 CA GLN A 107 -7.915 -3.296 -4.230 1.00 10.00 C ATOM 1590 C GLN A 107 -8.547 -4.393 -3.380 1.00 10.00 C ATOM 1591 O GLN A 107 -9.545 -4.997 -3.767 1.00 10.00 O ATOM 1592 CB GLN A 107 -6.864 -3.901 -5.166 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.425 -4.754 -6.294 1.00 10.00 C ATOM 1594 CD GLN A 107 -8.296 -3.961 -7.268 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -9.229 -4.502 -7.866 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -8.010 -2.697 -7.441 1.00 10.00 N ATOM 0 H GLN A 107 -6.280 -2.275 -3.413 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.704 -2.829 -4.819 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -6.276 -3.092 -5.600 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.180 -4.510 -4.575 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.600 -5.210 -6.842 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -8.013 -5.567 -5.869 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -7.232 -2.276 -6.933 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -8.565 -2.132 -8.084 1.00 10.00 H new