USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 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 41 SER OG : rot -140:sc= 1.01 USER MOD Set 1.2: A 45 ASN : amide:sc= 0.151 K(o=1.2,f=-0.14) USER MOD Set 2.1: A 21 TYR OH : rot 31:sc= 0.0936 USER MOD Set 2.2: A 23 SER OG : rot 177:sc= -0.648 USER MOD Set 2.3: A 85 HIS : no HD1:sc= -7.07! C(o=-7.6!,f=-5.4!) USER MOD Set 3.1: A 19 CYS SG : rot 29:sc= -0.797 USER MOD Set 3.2: A 76 MET CE :methyl 146:sc= -3.02! (180deg=-6.58!) USER MOD Set 4.1: A 18 SER OG : rot 40:sc= 0.721 USER MOD Set 4.2: A 20 CYS SG : rot -64:sc= 1.02 USER MOD Single : A 30 THR OG1 : rot 160:sc= 1.18 USER MOD Single : A 40 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 42 GLN : amide:sc= -3.95! K(o=-4!,f=-1.1) USER MOD Single : A 44 HIS : no HD1:sc= 0.133 K(o=0.13,f=-2.2!) USER MOD Single : A 49 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 51 THR OG1 : rot 123:sc= -0.902 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 K(o=0,f=-0.51) USER MOD Single : A 63 GLN : amide:sc= -0.288 K(o=-0.29,f=-4.3!) USER MOD Single : A 68 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-0.14) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= 0.0699 K(o=0.07,f=-0.85) USER MOD Single : A 80 GLN : amide:sc= -8.06! K(o=-8.1!,f=-2.1) USER MOD Single : A 86 SER OG : rot -160:sc= -0.918 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0876 USER MOD Single : A 98 LYS NZ :NH3+ -115:sc= 0.879 (180deg=-0.0178) USER MOD Single : A 105 HIS : no HE2:sc= -0.353 K(o=-0.35,f=-0.91) USER MOD Single : A 106 MET CE :methyl -167:sc= 0 (180deg=-0.319) USER MOD Single : A 107 GLN : amide:sc= -0.0111 K(o=-0.011,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.540 19.019 -6.191 1.00 10.00 N ATOM 139 CA ASP A 15 7.072 18.426 -5.018 1.00 10.00 C ATOM 140 C ASP A 15 6.362 17.179 -4.652 1.00 10.00 C ATOM 141 O ASP A 15 5.990 16.962 -3.509 1.00 10.00 O ATOM 142 CB ASP A 15 7.072 19.418 -3.873 1.00 10.00 C ATOM 143 CG ASP A 15 5.699 20.027 -3.575 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.271 20.932 -4.316 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.036 19.634 -2.595 1.00 10.00 O ATOM 0 HA ASP A 15 8.104 18.147 -5.230 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.440 18.921 -2.975 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.772 20.221 -4.102 1.00 10.00 H new ATOM 150 N LEU A 16 6.218 16.359 -5.595 1.00 10.00 N ATOM 151 CA LEU A 16 5.643 15.107 -5.412 1.00 10.00 C ATOM 152 C LEU A 16 6.628 14.057 -5.761 1.00 10.00 C ATOM 153 O LEU A 16 7.524 14.256 -6.562 1.00 10.00 O ATOM 154 CB LEU A 16 4.345 14.934 -6.183 1.00 10.00 C ATOM 155 CG LEU A 16 3.231 15.951 -5.952 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.975 16.275 -4.495 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.374 17.169 -6.818 1.00 10.00 C ATOM 0 H LEU A 16 6.508 16.547 -6.555 1.00 10.00 H new ATOM 0 HA LEU A 16 5.373 15.013 -4.360 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.585 14.939 -7.246 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.948 13.946 -5.950 1.00 10.00 H new ATOM 0 HG LEU A 16 2.318 15.452 -6.277 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.169 17.005 -4.421 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.691 15.366 -3.965 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.880 16.688 -4.050 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.556 17.859 -6.613 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.324 17.659 -6.603 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.346 16.875 -7.867 1.00 10.00 H new ATOM 169 N VAL A 17 6.459 12.966 -5.149 1.00 10.00 N ATOM 170 CA VAL A 17 7.257 11.846 -5.258 1.00 10.00 C ATOM 171 C VAL A 17 6.328 10.639 -5.074 1.00 10.00 C ATOM 172 O VAL A 17 5.284 10.752 -4.428 1.00 10.00 O ATOM 173 CB VAL A 17 8.404 11.851 -4.191 1.00 10.00 C ATOM 174 CG1 VAL A 17 9.018 10.515 -4.084 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.492 12.868 -4.510 1.00 10.00 C ATOM 0 H VAL A 17 5.684 12.829 -4.500 1.00 10.00 H new ATOM 0 HA VAL A 17 7.755 11.815 -6.227 1.00 10.00 H new ATOM 0 HB VAL A 17 7.942 12.131 -3.244 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.812 10.538 -3.338 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.261 9.790 -3.785 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.435 10.228 -5.049 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.262 12.830 -3.740 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.935 12.635 -5.478 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.058 13.867 -4.541 1.00 10.00 H new ATOM 185 N SER A 18 6.659 9.560 -5.673 1.00 10.00 N ATOM 186 CA SER A 18 5.885 8.377 -5.580 1.00 10.00 C ATOM 187 C SER A 18 6.791 7.225 -5.242 1.00 10.00 C ATOM 188 O SER A 18 7.813 7.006 -5.900 1.00 10.00 O ATOM 189 CB SER A 18 5.148 8.106 -6.900 1.00 10.00 C ATOM 190 OG SER A 18 4.270 6.997 -6.793 1.00 10.00 O ATOM 0 H SER A 18 7.492 9.469 -6.254 1.00 10.00 H new ATOM 0 HA SER A 18 5.137 8.497 -4.797 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.582 8.992 -7.189 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.875 7.920 -7.691 1.00 10.00 H new ATOM 0 HG SER A 18 3.822 7.017 -5.922 1.00 10.00 H new ATOM 196 N CYS A 19 6.462 6.537 -4.197 1.00 10.00 N ATOM 197 CA CYS A 19 7.162 5.355 -3.843 1.00 10.00 C ATOM 198 C CYS A 19 6.288 4.212 -4.303 1.00 10.00 C ATOM 199 O CYS A 19 5.077 4.247 -4.078 1.00 10.00 O ATOM 200 CB CYS A 19 7.409 5.313 -2.318 1.00 10.00 C ATOM 201 SG CYS A 19 5.919 5.204 -1.288 1.00 10.00 S ATOM 0 H CYS A 19 5.699 6.783 -3.567 1.00 10.00 H new ATOM 0 HA CYS A 19 8.146 5.302 -4.310 1.00 10.00 H new ATOM 0 HB2 CYS A 19 8.047 4.458 -2.094 1.00 10.00 H new ATOM 0 HB3 CYS A 19 7.962 6.208 -2.032 1.00 10.00 H new ATOM 0 HG CYS A 19 4.982 4.587 -1.945 1.00 10.00 H new ATOM 207 N CYS A 20 6.845 3.263 -4.996 1.00 10.00 N ATOM 208 CA CYS A 20 6.066 2.154 -5.491 1.00 10.00 C ATOM 209 C CYS A 20 6.667 0.918 -4.928 1.00 10.00 C ATOM 210 O CYS A 20 7.698 0.505 -5.391 1.00 10.00 O ATOM 211 CB CYS A 20 6.121 2.125 -7.031 1.00 10.00 C ATOM 212 SG CYS A 20 5.594 3.668 -7.831 1.00 10.00 S ATOM 0 H CYS A 20 7.836 3.230 -5.234 1.00 10.00 H new ATOM 0 HA CYS A 20 5.020 2.242 -5.196 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.141 1.899 -7.342 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.491 1.311 -7.389 1.00 10.00 H new ATOM 0 HG CYS A 20 4.337 3.881 -7.577 1.00 10.00 H new ATOM 218 N TYR A 21 6.021 0.306 -3.956 1.00 10.00 N ATOM 219 CA TYR A 21 6.659 -0.760 -3.242 1.00 10.00 C ATOM 220 C TYR A 21 5.889 -2.045 -3.321 1.00 10.00 C ATOM 221 O TYR A 21 4.717 -2.067 -3.717 1.00 10.00 O ATOM 222 CB TYR A 21 6.874 -0.370 -1.762 1.00 10.00 C ATOM 223 CG TYR A 21 5.751 -0.506 -0.749 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.393 -1.755 -0.217 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.119 0.612 -0.249 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.445 -1.859 0.770 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.170 0.501 0.723 1.00 10.00 C ATOM 228 CZ TYR A 21 3.840 -0.736 1.232 1.00 10.00 C ATOM 229 OH TYR A 21 2.930 -0.845 2.232 1.00 10.00 O ATOM 0 H TYR A 21 5.073 0.529 -3.653 1.00 10.00 H new ATOM 0 HA TYR A 21 7.624 -0.925 -3.721 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.711 -0.963 -1.393 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.192 0.673 -1.749 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.871 -2.648 -0.590 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.379 1.588 -0.632 1.00 10.00 H new ATOM 0 HE1 TYR A 21 4.183 -2.825 1.175 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.675 1.386 1.095 1.00 10.00 H new ATOM 0 HH TYR A 21 3.166 -1.601 2.808 1.00 10.00 H new ATOM 239 N ARG A 22 6.530 -3.101 -2.898 1.00 10.00 N ATOM 240 CA ARG A 22 5.905 -4.381 -2.821 1.00 10.00 C ATOM 241 C ARG A 22 6.089 -4.959 -1.438 1.00 10.00 C ATOM 242 O ARG A 22 6.933 -4.502 -0.659 1.00 10.00 O ATOM 243 CB ARG A 22 6.492 -5.360 -3.812 1.00 10.00 C ATOM 244 CG ARG A 22 7.879 -5.836 -3.451 1.00 10.00 C ATOM 245 CD ARG A 22 8.305 -6.922 -4.368 1.00 10.00 C ATOM 246 NE ARG A 22 9.549 -7.548 -3.920 1.00 10.00 N ATOM 247 CZ ARG A 22 10.415 -8.210 -4.708 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.126 -8.445 -5.979 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.560 -8.649 -4.205 1.00 10.00 N ATOM 0 H ARG A 22 7.505 -3.091 -2.597 1.00 10.00 H new ATOM 0 HA ARG A 22 4.850 -4.233 -3.050 1.00 10.00 H new ATOM 0 HB2 ARG A 22 5.831 -6.223 -3.891 1.00 10.00 H new ATOM 0 HB3 ARG A 22 6.523 -4.892 -4.796 1.00 10.00 H new ATOM 0 HG2 ARG A 22 8.582 -5.005 -3.508 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.892 -6.194 -2.422 1.00 10.00 H new ATOM 0 HD2 ARG A 22 7.520 -7.675 -4.430 1.00 10.00 H new ATOM 0 HD3 ARG A 22 8.441 -6.519 -5.372 1.00 10.00 H new ATOM 0 HE ARG A 22 9.778 -7.477 -2.929 1.00 10.00 H new ATOM 0 HH11 ARG A 22 9.240 -8.123 -6.369 1.00 10.00 H new ATOM 0 HH12 ARG A 22 10.789 -8.948 -6.568 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.782 -8.484 -3.223 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.219 -9.151 -4.800 1.00 10.00 H new ATOM 263 N SER A 23 5.293 -5.917 -1.114 1.00 10.00 N ATOM 264 CA SER A 23 5.467 -6.672 0.084 1.00 10.00 C ATOM 265 C SER A 23 4.927 -8.073 -0.114 1.00 10.00 C ATOM 266 O SER A 23 4.009 -8.272 -0.867 1.00 10.00 O ATOM 267 CB SER A 23 4.801 -6.014 1.288 1.00 10.00 C ATOM 268 OG SER A 23 5.349 -4.751 1.572 1.00 10.00 O ATOM 0 H SER A 23 4.493 -6.204 -1.677 1.00 10.00 H new ATOM 0 HA SER A 23 6.536 -6.713 0.295 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.733 -5.911 1.099 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.909 -6.660 2.159 1.00 10.00 H new ATOM 0 HG SER A 23 4.862 -4.343 2.318 1.00 10.00 H new ATOM 274 N LEU A 24 5.489 -9.021 0.540 1.00 10.00 N ATOM 275 CA LEU A 24 5.015 -10.407 0.407 1.00 10.00 C ATOM 276 C LEU A 24 4.198 -10.801 1.621 1.00 10.00 C ATOM 277 O LEU A 24 4.594 -11.694 2.348 1.00 10.00 O ATOM 278 CB LEU A 24 6.188 -11.401 0.175 1.00 10.00 C ATOM 279 CG LEU A 24 6.885 -11.375 -1.204 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.895 -11.667 -2.313 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.610 -10.057 -1.460 1.00 10.00 C ATOM 0 H LEU A 24 6.276 -8.896 1.177 1.00 10.00 H new ATOM 0 HA LEU A 24 4.376 -10.458 -0.475 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.944 -11.212 0.937 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.811 -12.410 0.342 1.00 10.00 H new ATOM 0 HG LEU A 24 7.641 -12.160 -1.195 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.408 -11.643 -3.274 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.457 -12.653 -2.160 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.106 -10.915 -2.304 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.084 -10.087 -2.441 1.00 10.00 H new ATOM 0 HD22 LEU A 24 6.894 -9.236 -1.428 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.371 -9.905 -0.694 1.00 10.00 H new ATOM 293 N ALA A 25 3.021 -10.138 1.763 1.00 10.00 N ATOM 294 CA ALA A 25 2.129 -10.164 2.958 1.00 10.00 C ATOM 295 C ALA A 25 2.270 -11.397 3.824 1.00 10.00 C ATOM 296 O ALA A 25 1.993 -12.531 3.387 1.00 10.00 O ATOM 297 CB ALA A 25 0.688 -9.952 2.563 1.00 10.00 C ATOM 0 H ALA A 25 2.650 -9.546 1.020 1.00 10.00 H new ATOM 0 HA ALA A 25 2.463 -9.333 3.579 1.00 10.00 H new ATOM 0 HB1 ALA A 25 0.059 -9.976 3.453 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.584 -8.985 2.071 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.378 -10.742 1.879 1.00 10.00 H new ATOM 303 N ALA A 26 2.696 -11.144 5.046 1.00 10.00 N ATOM 304 CA ALA A 26 3.035 -12.118 5.996 1.00 10.00 C ATOM 305 C ALA A 26 1.906 -13.083 6.288 1.00 10.00 C ATOM 306 O ALA A 26 0.750 -12.693 6.453 1.00 10.00 O ATOM 307 CB ALA A 26 3.437 -11.414 7.258 1.00 10.00 C ATOM 0 H ALA A 26 2.812 -10.193 5.396 1.00 10.00 H new ATOM 0 HA ALA A 26 3.852 -12.716 5.591 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.706 -12.150 8.015 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.293 -10.769 7.058 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.604 -10.810 7.619 1.00 10.00 H new ATOM 313 N PRO A 27 2.239 -14.357 6.389 1.00 10.00 N ATOM 314 CA PRO A 27 1.289 -15.433 6.746 1.00 10.00 C ATOM 315 C PRO A 27 0.746 -15.305 8.178 1.00 10.00 C ATOM 316 O PRO A 27 -0.132 -16.060 8.602 1.00 10.00 O ATOM 317 CB PRO A 27 2.163 -16.681 6.641 1.00 10.00 C ATOM 318 CG PRO A 27 3.534 -16.148 6.864 1.00 10.00 C ATOM 319 CD PRO A 27 3.578 -14.908 6.100 1.00 10.00 C ATOM 0 HA PRO A 27 0.405 -15.426 6.108 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.893 -17.427 7.389 1.00 10.00 H new ATOM 0 HB3 PRO A 27 2.069 -17.159 5.666 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.721 -15.968 7.923 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.293 -16.851 6.521 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.378 -14.246 6.432 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.731 -15.084 5.035 1.00 10.00 H new ATOM 327 N ASP A 28 1.257 -14.358 8.889 1.00 10.00 N ATOM 328 CA ASP A 28 0.908 -14.149 10.288 1.00 10.00 C ATOM 329 C ASP A 28 0.042 -12.917 10.467 1.00 10.00 C ATOM 330 O ASP A 28 -0.273 -12.535 11.597 1.00 10.00 O ATOM 331 CB ASP A 28 2.164 -14.014 11.177 1.00 10.00 C ATOM 332 CG ASP A 28 2.933 -12.716 10.983 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.755 -12.631 10.061 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.745 -11.767 11.786 1.00 10.00 O ATOM 0 H ASP A 28 1.938 -13.690 8.528 1.00 10.00 H new ATOM 0 HA ASP A 28 0.347 -15.030 10.599 1.00 10.00 H new ATOM 0 HB2 ASP A 28 1.865 -14.092 12.222 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.831 -14.852 10.973 1.00 10.00 H new ATOM 339 N LEU A 29 -0.381 -12.324 9.370 1.00 10.00 N ATOM 340 CA LEU A 29 -1.138 -11.088 9.433 1.00 10.00 C ATOM 341 C LEU A 29 -2.528 -11.238 9.995 1.00 10.00 C ATOM 342 O LEU A 29 -3.156 -12.308 9.942 1.00 10.00 O ATOM 343 CB LEU A 29 -1.209 -10.376 8.094 1.00 10.00 C ATOM 344 CG LEU A 29 0.116 -9.927 7.514 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.100 -9.053 6.306 1.00 10.00 C ATOM 346 CD2 LEU A 29 0.946 -9.220 8.558 1.00 10.00 C ATOM 0 H LEU A 29 -0.215 -12.675 8.427 1.00 10.00 H new ATOM 0 HA LEU A 29 -0.570 -10.476 10.134 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.692 -11.039 7.376 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.851 -9.502 8.202 1.00 10.00 H new ATOM 0 HG LEU A 29 0.667 -10.811 7.193 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.865 -8.742 5.905 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.646 -9.612 5.546 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.675 -8.173 6.592 1.00 10.00 H new ATOM 0 HD21 LEU A 29 1.893 -8.907 8.119 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.407 -8.345 8.920 1.00 10.00 H new ATOM 0 HD23 LEU A 29 1.138 -9.898 9.390 1.00 10.00 H new ATOM 358 N THR A 30 -2.973 -10.175 10.560 1.00 10.00 N ATOM 359 CA THR A 30 -4.265 -10.038 11.089 1.00 10.00 C ATOM 360 C THR A 30 -5.172 -9.318 10.135 1.00 10.00 C ATOM 361 O THR A 30 -4.850 -8.230 9.686 1.00 10.00 O ATOM 362 CB THR A 30 -4.174 -9.263 12.353 1.00 10.00 C ATOM 363 OG1 THR A 30 -2.953 -8.482 12.364 1.00 10.00 O ATOM 364 CG2 THR A 30 -4.240 -10.175 13.513 1.00 10.00 C ATOM 0 H THR A 30 -2.406 -9.334 10.668 1.00 10.00 H new ATOM 0 HA THR A 30 -4.680 -11.030 11.267 1.00 10.00 H new ATOM 0 HB THR A 30 -5.017 -8.576 12.419 1.00 10.00 H new ATOM 0 HG1 THR A 30 -3.036 -7.754 13.015 1.00 10.00 H new ATOM 0 HG21 THR A 30 -4.172 -9.597 14.435 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.184 -10.719 13.495 1.00 10.00 H new ATOM 0 HG23 THR A 30 -3.412 -10.883 13.467 1.00 10.00 H new ATOM 372 N LEU A 31 -6.299 -9.929 9.832 1.00 10.00 N ATOM 373 CA LEU A 31 -7.318 -9.354 8.959 1.00 10.00 C ATOM 374 C LEU A 31 -7.734 -8.022 9.466 1.00 10.00 C ATOM 375 O LEU A 31 -7.834 -7.081 8.693 1.00 10.00 O ATOM 376 CB LEU A 31 -8.527 -10.234 8.954 1.00 10.00 C ATOM 377 CG LEU A 31 -9.736 -9.773 8.122 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.422 -9.733 6.646 1.00 10.00 C ATOM 379 CD2 LEU A 31 -10.944 -10.650 8.387 1.00 10.00 C ATOM 0 H LEU A 31 -6.542 -10.853 10.188 1.00 10.00 H new ATOM 0 HA LEU A 31 -6.900 -9.263 7.957 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.226 -11.218 8.594 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -8.856 -10.359 9.985 1.00 10.00 H new ATOM 0 HG LEU A 31 -9.971 -8.756 8.435 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.303 -9.402 6.095 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -8.601 -9.039 6.467 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.135 -10.729 6.308 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -11.785 -10.303 7.786 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -10.710 -11.681 8.122 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.207 -10.598 9.444 1.00 10.00 H new ATOM 391 N ARG A 32 -7.922 -7.898 10.775 1.00 10.00 N ATOM 392 CA ARG A 32 -8.388 -6.630 11.277 1.00 10.00 C ATOM 393 C ARG A 32 -7.321 -5.577 11.106 1.00 10.00 C ATOM 394 O ARG A 32 -7.619 -4.408 11.006 1.00 10.00 O ATOM 395 CB ARG A 32 -8.952 -6.699 12.693 1.00 10.00 C ATOM 396 CG ARG A 32 -9.534 -5.372 13.201 1.00 10.00 C ATOM 397 CD ARG A 32 -10.574 -4.787 12.231 1.00 10.00 C ATOM 398 NE ARG A 32 -11.637 -5.728 11.870 1.00 10.00 N ATOM 399 CZ ARG A 32 -12.558 -5.499 10.920 1.00 10.00 C ATOM 400 NH1 ARG A 32 -12.656 -4.295 10.355 1.00 10.00 N ATOM 401 NH2 ARG A 32 -13.399 -6.463 10.560 1.00 10.00 N ATOM 0 H ARG A 32 -7.766 -8.626 11.472 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.245 -6.335 10.672 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.731 -7.461 12.726 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.162 -7.021 13.372 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.996 -5.529 14.176 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.727 -4.653 13.343 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -11.022 -3.902 12.683 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -10.067 -4.459 11.323 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.680 -6.614 12.373 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.030 -3.543 10.644 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -13.357 -4.126 9.634 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -13.346 -7.379 11.006 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -14.098 -6.287 9.838 1.00 10.00 H new ATOM 415 N ASP A 33 -6.088 -6.006 10.985 1.00 10.00 N ATOM 416 CA ASP A 33 -5.042 -5.090 10.668 1.00 10.00 C ATOM 417 C ASP A 33 -5.123 -4.644 9.249 1.00 10.00 C ATOM 418 O ASP A 33 -4.955 -3.493 9.012 1.00 10.00 O ATOM 419 CB ASP A 33 -3.640 -5.561 11.026 1.00 10.00 C ATOM 420 CG ASP A 33 -3.297 -5.260 12.455 1.00 10.00 C ATOM 421 OD1 ASP A 33 -2.804 -4.145 12.733 1.00 10.00 O ATOM 422 OD2 ASP A 33 -3.521 -6.121 13.330 1.00 10.00 O ATOM 0 H ASP A 33 -5.795 -6.976 11.102 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.217 -4.233 11.318 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.562 -6.634 10.852 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.916 -5.078 10.369 1.00 10.00 H new ATOM 427 N LEU A 34 -5.469 -5.539 8.288 1.00 10.00 N ATOM 428 CA LEU A 34 -5.588 -5.071 6.859 1.00 10.00 C ATOM 429 C LEU A 34 -6.699 -4.069 6.758 1.00 10.00 C ATOM 430 O LEU A 34 -6.594 -3.040 6.087 1.00 10.00 O ATOM 431 CB LEU A 34 -5.872 -6.199 5.828 1.00 10.00 C ATOM 432 CG LEU A 34 -4.761 -7.203 5.501 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.495 -6.511 5.021 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.488 -8.074 6.675 1.00 10.00 C ATOM 0 H LEU A 34 -5.662 -6.528 8.446 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.615 -4.647 6.609 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.732 -6.765 6.187 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.171 -5.724 4.894 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.109 -7.830 4.680 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.733 -7.259 4.800 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.713 -5.938 4.120 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.130 -5.840 5.798 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.697 -8.782 6.427 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.174 -7.460 7.519 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.393 -8.620 6.941 1.00 10.00 H new ATOM 446 N LEU A 35 -7.743 -4.378 7.450 1.00 10.00 N ATOM 447 CA LEU A 35 -8.941 -3.559 7.475 1.00 10.00 C ATOM 448 C LEU A 35 -8.687 -2.251 8.215 1.00 10.00 C ATOM 449 O LEU A 35 -9.205 -1.209 7.854 1.00 10.00 O ATOM 450 CB LEU A 35 -10.118 -4.355 8.074 1.00 10.00 C ATOM 451 CG LEU A 35 -10.767 -5.458 7.176 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.645 -4.830 6.113 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.710 -6.310 6.489 1.00 10.00 C ATOM 0 H LEU A 35 -7.804 -5.216 8.028 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.214 -3.294 6.454 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.772 -4.828 8.993 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.897 -3.646 8.354 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.366 -6.091 7.830 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.088 -5.613 5.498 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.436 -4.252 6.590 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.043 -4.173 5.486 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.196 -7.066 5.873 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.085 -5.677 5.860 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.091 -6.798 7.241 1.00 10.00 H new ATOM 465 N ASP A 36 -7.882 -2.315 9.232 1.00 10.00 N ATOM 466 CA ASP A 36 -7.459 -1.088 9.936 1.00 10.00 C ATOM 467 C ASP A 36 -6.494 -0.275 9.066 1.00 10.00 C ATOM 468 O ASP A 36 -6.559 0.960 9.040 1.00 10.00 O ATOM 469 CB ASP A 36 -6.828 -1.402 11.298 1.00 10.00 C ATOM 470 CG ASP A 36 -6.304 -0.173 12.011 1.00 10.00 C ATOM 471 OD1 ASP A 36 -7.109 0.725 12.366 1.00 10.00 O ATOM 472 OD2 ASP A 36 -5.074 -0.083 12.240 1.00 10.00 O ATOM 0 H ASP A 36 -7.495 -3.181 9.608 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.352 -0.490 10.121 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -7.569 -1.892 11.930 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -6.010 -2.109 11.158 1.00 10.00 H new ATOM 477 N ILE A 37 -5.613 -0.979 8.347 1.00 10.00 N ATOM 478 CA ILE A 37 -4.668 -0.382 7.399 1.00 10.00 C ATOM 479 C ILE A 37 -5.400 0.447 6.372 1.00 10.00 C ATOM 480 O ILE A 37 -5.127 1.630 6.255 1.00 10.00 O ATOM 481 CB ILE A 37 -3.800 -1.463 6.669 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.791 -2.091 7.628 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.061 -0.870 5.457 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.220 -3.396 7.132 1.00 10.00 C ATOM 0 H ILE A 37 -5.536 -1.994 8.409 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.999 0.254 7.979 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.482 -2.235 6.313 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.976 -1.388 7.796 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.273 -2.257 8.592 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.469 -1.648 4.975 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.787 -0.474 4.747 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.403 -0.067 5.789 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.511 -3.784 7.863 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.026 -4.116 6.991 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.709 -3.232 6.183 1.00 10.00 H new ATOM 496 N VAL A 38 -6.351 -0.170 5.657 1.00 10.00 N ATOM 497 CA VAL A 38 -7.117 0.529 4.614 1.00 10.00 C ATOM 498 C VAL A 38 -7.745 1.825 5.143 1.00 10.00 C ATOM 499 O VAL A 38 -7.546 2.900 4.561 1.00 10.00 O ATOM 500 CB VAL A 38 -8.189 -0.399 3.886 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.167 -1.025 4.837 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.942 0.344 2.785 1.00 10.00 C ATOM 0 H VAL A 38 -6.608 -1.149 5.781 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.395 0.803 3.845 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.608 -1.201 3.431 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.870 -1.644 4.280 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.630 -1.643 5.557 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.712 -0.243 5.366 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.661 -0.329 2.318 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.469 1.196 3.215 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.235 0.696 2.034 1.00 10.00 H new ATOM 512 N GLU A 39 -8.392 1.734 6.287 1.00 10.00 N ATOM 513 CA GLU A 39 -9.069 2.859 6.880 1.00 10.00 C ATOM 514 C GLU A 39 -8.094 3.956 7.335 1.00 10.00 C ATOM 515 O GLU A 39 -8.248 5.126 6.953 1.00 10.00 O ATOM 516 CB GLU A 39 -9.992 2.378 8.002 1.00 10.00 C ATOM 517 CG GLU A 39 -11.066 1.444 7.473 1.00 10.00 C ATOM 518 CD GLU A 39 -12.074 1.010 8.497 1.00 10.00 C ATOM 519 OE1 GLU A 39 -13.113 1.683 8.642 1.00 10.00 O ATOM 520 OE2 GLU A 39 -11.896 -0.046 9.112 1.00 10.00 O ATOM 0 H GLU A 39 -8.461 0.873 6.830 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.688 3.330 6.117 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.405 1.865 8.764 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -10.459 3.237 8.484 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -11.589 1.939 6.654 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.586 0.559 7.056 1.00 10.00 H new ATOM 527 N THR A 40 -7.062 3.565 8.068 1.00 10.00 N ATOM 528 CA THR A 40 -6.075 4.510 8.587 1.00 10.00 C ATOM 529 C THR A 40 -5.240 5.135 7.442 1.00 10.00 C ATOM 530 O THR A 40 -4.851 6.315 7.506 1.00 10.00 O ATOM 531 CB THR A 40 -5.132 3.803 9.593 1.00 10.00 C ATOM 532 OG1 THR A 40 -5.920 3.115 10.574 1.00 10.00 O ATOM 533 CG2 THR A 40 -4.226 4.801 10.307 1.00 10.00 C ATOM 0 H THR A 40 -6.883 2.593 8.320 1.00 10.00 H new ATOM 0 HA THR A 40 -6.615 5.309 9.096 1.00 10.00 H new ATOM 0 HB THR A 40 -4.507 3.105 9.036 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.322 2.318 10.170 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.578 4.270 11.005 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.615 5.327 9.574 1.00 10.00 H new ATOM 0 HG23 THR A 40 -4.836 5.520 10.854 1.00 10.00 H new ATOM 541 N SER A 41 -5.000 4.349 6.397 1.00 10.00 N ATOM 542 CA SER A 41 -4.219 4.782 5.264 1.00 10.00 C ATOM 543 C SER A 41 -4.859 6.016 4.623 1.00 10.00 C ATOM 544 O SER A 41 -4.208 7.040 4.472 1.00 10.00 O ATOM 545 CB SER A 41 -4.087 3.631 4.249 1.00 10.00 C ATOM 546 OG SER A 41 -3.187 3.943 3.214 1.00 10.00 O ATOM 0 H SER A 41 -5.347 3.393 6.321 1.00 10.00 H new ATOM 0 HA SER A 41 -3.219 5.058 5.599 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.750 2.731 4.763 1.00 10.00 H new ATOM 0 HB3 SER A 41 -5.066 3.408 3.824 1.00 10.00 H new ATOM 0 HG SER A 41 -3.536 3.604 2.363 1.00 10.00 H new ATOM 552 N GLN A 42 -6.152 5.924 4.328 1.00 10.00 N ATOM 553 CA GLN A 42 -6.915 7.022 3.708 1.00 10.00 C ATOM 554 C GLN A 42 -6.847 8.265 4.532 1.00 10.00 C ATOM 555 O GLN A 42 -6.548 9.325 4.023 1.00 10.00 O ATOM 556 CB GLN A 42 -8.355 6.624 3.594 1.00 10.00 C ATOM 557 CG GLN A 42 -8.545 5.459 2.705 1.00 10.00 C ATOM 558 CD GLN A 42 -9.740 4.641 3.027 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.342 4.031 2.151 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.090 4.582 4.266 1.00 10.00 N ATOM 0 H GLN A 42 -6.708 5.089 4.509 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.480 7.217 2.728 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.745 6.390 4.585 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.934 7.466 3.215 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.624 5.810 1.676 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.659 4.826 2.759 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.566 5.103 4.969 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.891 4.014 4.543 1.00 10.00 H new ATOM 569 N ALA A 43 -7.087 8.103 5.809 1.00 10.00 N ATOM 570 CA ALA A 43 -7.158 9.198 6.745 1.00 10.00 C ATOM 571 C ALA A 43 -5.872 10.037 6.764 1.00 10.00 C ATOM 572 O ALA A 43 -5.927 11.274 6.761 1.00 10.00 O ATOM 573 CB ALA A 43 -7.532 8.659 8.110 1.00 10.00 C ATOM 0 H ALA A 43 -7.241 7.189 6.236 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.936 9.890 6.423 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.588 9.481 8.823 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.501 8.163 8.052 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.777 7.944 8.438 1.00 10.00 H new ATOM 579 N HIS A 44 -4.729 9.382 6.729 1.00 10.00 N ATOM 580 CA HIS A 44 -3.470 10.108 6.689 1.00 10.00 C ATOM 581 C HIS A 44 -3.148 10.535 5.279 1.00 10.00 C ATOM 582 O HIS A 44 -2.645 11.628 5.079 1.00 10.00 O ATOM 583 CB HIS A 44 -2.321 9.278 7.223 1.00 10.00 C ATOM 584 CG HIS A 44 -0.956 9.958 7.156 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.055 9.494 6.362 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.454 11.044 7.780 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.109 10.248 6.495 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.843 11.195 7.351 1.00 10.00 N ATOM 0 H HIS A 44 -4.642 8.366 6.727 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.592 10.984 7.325 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.531 9.017 8.260 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.274 8.344 6.663 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.974 11.676 8.485 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.049 10.111 5.981 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.489 11.925 7.652 1.00 10.00 H new ATOM 597 N ASN A 45 -3.414 9.677 4.311 1.00 10.00 N ATOM 598 CA ASN A 45 -3.082 9.990 2.930 1.00 10.00 C ATOM 599 C ASN A 45 -3.849 11.182 2.444 1.00 10.00 C ATOM 600 O ASN A 45 -3.270 12.084 1.880 1.00 10.00 O ATOM 601 CB ASN A 45 -3.226 8.797 1.966 1.00 10.00 C ATOM 602 CG ASN A 45 -2.213 7.687 2.226 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.121 7.919 2.762 1.00 10.00 O ATOM 604 ND2 ASN A 45 -2.544 6.486 1.834 1.00 10.00 N ATOM 0 H ASN A 45 -3.854 8.767 4.451 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.020 10.237 2.931 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.233 8.388 2.052 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.112 9.151 0.941 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.896 5.710 1.967 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -3.451 6.324 1.395 1.00 10.00 H new ATOM 611 N ALA A 46 -5.137 11.224 2.747 1.00 10.00 N ATOM 612 CA ALA A 46 -5.985 12.353 2.374 1.00 10.00 C ATOM 613 C ALA A 46 -5.456 13.619 3.011 1.00 10.00 C ATOM 614 O ALA A 46 -5.365 14.658 2.371 1.00 10.00 O ATOM 615 CB ALA A 46 -7.416 12.125 2.833 1.00 10.00 C ATOM 0 H ALA A 46 -5.624 10.485 3.254 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.973 12.449 1.288 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.031 12.978 2.545 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.808 11.221 2.367 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.437 12.012 3.917 1.00 10.00 H new ATOM 621 N ARG A 47 -5.073 13.501 4.269 1.00 10.00 N ATOM 622 CA ARG A 47 -4.535 14.616 5.026 1.00 10.00 C ATOM 623 C ARG A 47 -3.220 15.088 4.420 1.00 10.00 C ATOM 624 O ARG A 47 -3.050 16.270 4.109 1.00 10.00 O ATOM 625 CB ARG A 47 -4.268 14.198 6.457 1.00 10.00 C ATOM 626 CG ARG A 47 -4.073 15.361 7.415 1.00 10.00 C ATOM 627 CD ARG A 47 -3.493 14.910 8.747 1.00 10.00 C ATOM 628 NE ARG A 47 -2.050 14.597 8.639 1.00 10.00 N ATOM 629 CZ ARG A 47 -1.293 14.052 9.604 1.00 10.00 C ATOM 630 NH1 ARG A 47 -1.847 13.605 10.717 1.00 10.00 N ATOM 631 NH2 ARG A 47 0.024 13.943 9.436 1.00 10.00 N ATOM 0 H ARG A 47 -5.126 12.629 4.795 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.269 15.422 4.998 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.100 13.588 6.808 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.379 13.568 6.481 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -3.410 16.097 6.961 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -5.029 15.855 7.585 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -3.641 15.692 9.492 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -4.031 14.030 9.099 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.591 14.814 7.754 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.856 13.673 10.847 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.265 13.192 11.446 1.00 10.00 H new ATOM 0 HH21 ARG A 47 0.457 14.274 8.574 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.599 13.529 10.170 1.00 10.00 H new ATOM 645 N ALA A 48 -2.302 14.158 4.233 1.00 10.00 N ATOM 646 CA ALA A 48 -0.987 14.492 3.753 1.00 10.00 C ATOM 647 C ALA A 48 -0.949 14.759 2.240 1.00 10.00 C ATOM 648 O ALA A 48 0.110 15.116 1.704 1.00 10.00 O ATOM 649 CB ALA A 48 0.032 13.454 4.183 1.00 10.00 C ATOM 0 H ALA A 48 -2.450 13.164 4.409 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.711 15.437 4.221 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.016 13.732 3.806 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.061 13.402 5.271 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.248 12.480 3.781 1.00 10.00 H new ATOM 655 N GLN A 49 -2.126 14.619 1.574 1.00 10.00 N ATOM 656 CA GLN A 49 -2.334 14.939 0.131 1.00 10.00 C ATOM 657 C GLN A 49 -1.748 13.862 -0.775 1.00 10.00 C ATOM 658 O GLN A 49 -1.384 14.103 -1.938 1.00 10.00 O ATOM 659 CB GLN A 49 -1.785 16.324 -0.171 1.00 10.00 C ATOM 660 CG GLN A 49 -2.436 17.364 0.664 1.00 10.00 C ATOM 661 CD GLN A 49 -1.442 18.328 1.263 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.085 19.347 0.653 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.031 18.036 2.474 1.00 10.00 N ATOM 0 H GLN A 49 -2.972 14.276 2.029 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.404 14.951 -0.079 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.709 16.336 0.005 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.938 16.555 -1.225 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.153 17.917 0.057 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.999 16.883 1.464 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.356 17.184 2.931 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.387 18.661 2.958 1.00 10.00 H new ATOM 672 N LEU A 50 -1.727 12.689 -0.233 1.00 10.00 N ATOM 673 CA LEU A 50 -1.255 11.484 -0.878 1.00 10.00 C ATOM 674 C LEU A 50 -2.357 10.763 -1.615 1.00 10.00 C ATOM 675 O LEU A 50 -3.413 10.454 -1.054 1.00 10.00 O ATOM 676 CB LEU A 50 -0.611 10.549 0.142 1.00 10.00 C ATOM 677 CG LEU A 50 0.851 10.806 0.464 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.102 12.220 0.902 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.365 9.830 1.495 1.00 10.00 C ATOM 0 H LEU A 50 -2.053 12.525 0.720 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.509 11.786 -1.613 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.181 10.610 1.069 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.706 9.527 -0.224 1.00 10.00 H new ATOM 0 HG LEU A 50 1.404 10.653 -0.463 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.162 12.351 1.120 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.808 12.905 0.107 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.519 12.432 1.798 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.414 10.040 1.704 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.785 9.931 2.412 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.268 8.813 1.114 1.00 10.00 H new ATOM 691 N THR A 51 -2.119 10.519 -2.863 1.00 10.00 N ATOM 692 CA THR A 51 -3.022 9.832 -3.703 1.00 10.00 C ATOM 693 C THR A 51 -2.405 8.478 -4.056 1.00 10.00 C ATOM 694 O THR A 51 -1.216 8.372 -4.155 1.00 10.00 O ATOM 695 CB THR A 51 -3.361 10.741 -4.889 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.181 11.113 -5.592 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.951 12.005 -4.314 1.00 10.00 C ATOM 0 H THR A 51 -1.260 10.805 -3.333 1.00 10.00 H new ATOM 0 HA THR A 51 -3.976 9.606 -3.227 1.00 10.00 H new ATOM 0 HB THR A 51 -4.038 10.222 -5.568 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.264 10.851 -6.533 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.210 12.687 -5.124 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.848 11.762 -3.744 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.222 12.481 -3.658 1.00 10.00 H new ATOM 705 N GLY A 52 -3.195 7.455 -4.175 1.00 10.00 N ATOM 706 CA GLY A 52 -2.636 6.128 -4.119 1.00 10.00 C ATOM 707 C GLY A 52 -3.555 5.038 -4.552 1.00 10.00 C ATOM 708 O GLY A 52 -4.684 5.278 -4.986 1.00 10.00 O ATOM 0 H GLY A 52 -4.205 7.503 -4.309 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.743 6.100 -4.744 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.316 5.928 -3.096 1.00 10.00 H new ATOM 712 N ALA A 53 -3.042 3.858 -4.503 1.00 10.00 N ATOM 713 CA ALA A 53 -3.775 2.633 -4.747 1.00 10.00 C ATOM 714 C ALA A 53 -2.891 1.466 -4.366 1.00 10.00 C ATOM 715 O ALA A 53 -1.687 1.652 -4.165 1.00 10.00 O ATOM 716 CB ALA A 53 -4.277 2.510 -6.186 1.00 10.00 C ATOM 0 H ALA A 53 -2.059 3.698 -4.284 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.675 2.640 -4.132 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.818 1.571 -6.304 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.943 3.343 -6.412 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.429 2.528 -6.870 1.00 10.00 H new ATOM 722 N LEU A 54 -3.460 0.299 -4.208 1.00 10.00 N ATOM 723 CA LEU A 54 -2.666 -0.858 -3.928 1.00 10.00 C ATOM 724 C LEU A 54 -3.325 -2.079 -4.495 1.00 10.00 C ATOM 725 O LEU A 54 -4.571 -2.194 -4.495 1.00 10.00 O ATOM 726 CB LEU A 54 -2.347 -1.003 -2.405 1.00 10.00 C ATOM 727 CG LEU A 54 -3.440 -1.490 -1.431 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.587 -3.015 -1.465 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.129 -1.035 -0.019 1.00 10.00 C ATOM 0 H LEU A 54 -4.464 0.130 -4.269 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.700 -0.737 -4.418 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.504 -1.687 -2.314 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -2.007 -0.030 -2.051 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.385 -1.052 -1.752 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.366 -3.321 -0.766 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -3.858 -3.332 -2.472 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -2.642 -3.478 -1.181 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.909 -1.386 0.657 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.168 -1.445 0.292 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.086 0.054 0.011 1.00 10.00 H new ATOM 741 N PHE A 55 -2.522 -2.971 -4.972 1.00 10.00 N ATOM 742 CA PHE A 55 -2.983 -4.191 -5.529 1.00 10.00 C ATOM 743 C PHE A 55 -2.450 -5.324 -4.687 1.00 10.00 C ATOM 744 O PHE A 55 -1.258 -5.599 -4.668 1.00 10.00 O ATOM 745 CB PHE A 55 -2.541 -4.329 -6.995 1.00 10.00 C ATOM 746 CG PHE A 55 -2.962 -3.163 -7.850 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.284 -2.999 -8.225 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.033 -2.223 -8.257 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.672 -1.915 -8.987 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.412 -1.143 -9.021 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.733 -0.989 -9.388 1.00 10.00 C ATOM 0 H PHE A 55 -1.507 -2.867 -4.984 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.073 -4.213 -5.526 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.456 -4.427 -7.034 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.959 -5.246 -7.410 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -5.020 -3.727 -7.918 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -0.998 -2.338 -7.972 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.708 -1.793 -9.268 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -1.676 -0.417 -9.333 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.031 -0.143 -9.989 1.00 10.00 H new ATOM 761 N TYR A 56 -3.327 -5.912 -3.948 1.00 10.00 N ATOM 762 CA TYR A 56 -3.013 -7.027 -3.098 1.00 10.00 C ATOM 763 C TYR A 56 -3.636 -8.240 -3.757 1.00 10.00 C ATOM 764 O TYR A 56 -4.862 -8.330 -3.842 1.00 10.00 O ATOM 765 CB TYR A 56 -3.613 -6.762 -1.685 1.00 10.00 C ATOM 766 CG TYR A 56 -3.403 -7.824 -0.599 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.840 -9.138 -0.745 1.00 10.00 C ATOM 768 CD2 TYR A 56 -2.811 -7.476 0.597 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.682 -10.060 0.268 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.643 -8.394 1.611 1.00 10.00 C ATOM 771 CZ TYR A 56 -3.080 -9.682 1.442 1.00 10.00 C ATOM 772 OH TYR A 56 -2.938 -10.594 2.465 1.00 10.00 O ATOM 0 H TYR A 56 -4.307 -5.630 -3.911 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.941 -7.180 -2.972 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.198 -5.823 -1.318 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.686 -6.612 -1.802 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -4.311 -9.440 -1.668 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -2.471 -6.461 0.742 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -4.030 -11.074 0.138 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.169 -8.100 2.536 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.491 -10.166 3.225 1.00 10.00 H new ATOM 782 N SER A 57 -2.815 -9.117 -4.271 1.00 10.00 N ATOM 783 CA SER A 57 -3.290 -10.296 -4.965 1.00 10.00 C ATOM 784 C SER A 57 -2.246 -11.393 -4.869 1.00 10.00 C ATOM 785 O SER A 57 -1.064 -11.098 -4.916 1.00 10.00 O ATOM 786 CB SER A 57 -3.590 -9.937 -6.429 1.00 10.00 C ATOM 787 OG SER A 57 -2.486 -9.248 -7.015 1.00 10.00 O ATOM 0 H SER A 57 -1.799 -9.039 -4.223 1.00 10.00 H new ATOM 0 HA SER A 57 -4.209 -10.660 -4.506 1.00 10.00 H new ATOM 0 HB2 SER A 57 -3.801 -10.844 -6.995 1.00 10.00 H new ATOM 0 HB3 SER A 57 -4.483 -9.314 -6.480 1.00 10.00 H new ATOM 0 HG SER A 57 -2.694 -9.029 -7.947 1.00 10.00 H new ATOM 793 N GLN A 58 -2.690 -12.635 -4.648 1.00 10.00 N ATOM 794 CA GLN A 58 -1.815 -13.831 -4.522 1.00 10.00 C ATOM 795 C GLN A 58 -0.943 -13.716 -3.244 1.00 10.00 C ATOM 796 O GLN A 58 -0.015 -14.487 -3.009 1.00 10.00 O ATOM 797 CB GLN A 58 -0.946 -14.024 -5.804 1.00 10.00 C ATOM 798 CG GLN A 58 -0.225 -15.371 -5.900 1.00 10.00 C ATOM 799 CD GLN A 58 0.658 -15.492 -7.132 1.00 10.00 C ATOM 800 OE1 GLN A 58 1.216 -14.502 -7.628 1.00 10.00 O ATOM 801 NE2 GLN A 58 0.801 -16.689 -7.629 1.00 10.00 N ATOM 0 H GLN A 58 -3.681 -12.853 -4.548 1.00 10.00 H new ATOM 0 HA GLN A 58 -2.439 -14.719 -4.425 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -1.586 -13.908 -6.679 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -0.203 -13.227 -5.844 1.00 10.00 H new ATOM 0 HG2 GLN A 58 0.385 -15.513 -5.008 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -0.965 -16.172 -5.911 1.00 10.00 H new ATOM 0 HE21 GLN A 58 0.327 -17.481 -7.195 1.00 10.00 H new ATOM 0 HE22 GLN A 58 1.387 -16.833 -8.451 1.00 10.00 H new ATOM 810 N GLY A 59 -1.290 -12.770 -2.399 1.00 10.00 N ATOM 811 CA GLY A 59 -0.528 -12.525 -1.206 1.00 10.00 C ATOM 812 C GLY A 59 0.515 -11.444 -1.407 1.00 10.00 C ATOM 813 O GLY A 59 1.064 -10.919 -0.441 1.00 10.00 O ATOM 0 H GLY A 59 -2.098 -12.159 -2.521 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -1.201 -12.233 -0.400 1.00 10.00 H new ATOM 0 HA3 GLY A 59 -0.038 -13.447 -0.894 1.00 10.00 H new ATOM 817 N VAL A 60 0.788 -11.089 -2.647 1.00 10.00 N ATOM 818 CA VAL A 60 1.764 -10.068 -2.894 1.00 10.00 C ATOM 819 C VAL A 60 1.112 -8.699 -2.861 1.00 10.00 C ATOM 820 O VAL A 60 0.028 -8.471 -3.429 1.00 10.00 O ATOM 821 CB VAL A 60 2.633 -10.280 -4.200 1.00 10.00 C ATOM 822 CG1 VAL A 60 1.797 -10.285 -5.465 1.00 10.00 C ATOM 823 CG2 VAL A 60 3.742 -9.224 -4.307 1.00 10.00 C ATOM 0 H VAL A 60 0.353 -11.488 -3.479 1.00 10.00 H new ATOM 0 HA VAL A 60 2.487 -10.141 -2.082 1.00 10.00 H new ATOM 0 HB VAL A 60 3.088 -11.266 -4.105 1.00 10.00 H new ATOM 0 HG11 VAL A 60 2.445 -10.434 -6.329 1.00 10.00 H new ATOM 0 HG12 VAL A 60 1.067 -11.093 -5.415 1.00 10.00 H new ATOM 0 HG13 VAL A 60 1.277 -9.332 -5.561 1.00 10.00 H new ATOM 0 HG21 VAL A 60 4.322 -9.396 -5.214 1.00 10.00 H new ATOM 0 HG22 VAL A 60 3.296 -8.230 -4.344 1.00 10.00 H new ATOM 0 HG23 VAL A 60 4.397 -9.295 -3.439 1.00 10.00 H new ATOM 833 N PHE A 61 1.726 -7.848 -2.121 1.00 10.00 N ATOM 834 CA PHE A 61 1.341 -6.483 -1.988 1.00 10.00 C ATOM 835 C PHE A 61 2.045 -5.642 -3.012 1.00 10.00 C ATOM 836 O PHE A 61 3.266 -5.681 -3.084 1.00 10.00 O ATOM 837 CB PHE A 61 1.857 -5.958 -0.668 1.00 10.00 C ATOM 838 CG PHE A 61 0.932 -5.833 0.467 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.190 -5.028 0.375 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.233 -6.437 1.669 1.00 10.00 C ATOM 841 CE1 PHE A 61 -0.997 -4.844 1.463 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.452 -6.240 2.767 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.664 -5.445 2.663 1.00 10.00 C ATOM 0 H PHE A 61 2.547 -8.091 -1.566 1.00 10.00 H new ATOM 0 HA PHE A 61 0.257 -6.432 -2.086 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.675 -6.607 -0.354 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.285 -4.973 -0.852 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.429 -4.543 -0.560 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.101 -7.076 1.741 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.886 -4.235 1.386 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.707 -6.703 3.709 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.289 -5.288 3.530 1.00 10.00 H new ATOM 853 N PHE A 62 1.322 -4.927 -3.790 1.00 10.00 N ATOM 854 CA PHE A 62 1.909 -3.852 -4.528 1.00 10.00 C ATOM 855 C PHE A 62 1.213 -2.611 -4.039 1.00 10.00 C ATOM 856 O PHE A 62 0.011 -2.480 -4.198 1.00 10.00 O ATOM 857 CB PHE A 62 1.758 -4.008 -6.045 1.00 10.00 C ATOM 858 CG PHE A 62 2.458 -2.914 -6.820 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.809 -3.007 -7.103 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.766 -1.788 -7.251 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.459 -2.005 -7.800 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.412 -0.787 -7.948 1.00 10.00 C ATOM 863 CZ PHE A 62 3.760 -0.895 -8.223 1.00 10.00 C ATOM 0 H PHE A 62 0.322 -5.059 -3.939 1.00 10.00 H new ATOM 0 HA PHE A 62 2.986 -3.820 -4.363 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.159 -4.975 -6.348 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.699 -4.008 -6.302 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.364 -3.874 -6.775 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.711 -1.695 -7.038 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.514 -2.092 -8.013 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.862 0.082 -8.279 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.266 -0.112 -8.768 1.00 10.00 H new ATOM 873 N GLN A 63 1.934 -1.730 -3.435 1.00 10.00 N ATOM 874 CA GLN A 63 1.334 -0.582 -2.804 1.00 10.00 C ATOM 875 C GLN A 63 2.168 0.606 -3.175 1.00 10.00 C ATOM 876 O GLN A 63 3.386 0.581 -2.977 1.00 10.00 O ATOM 877 CB GLN A 63 1.384 -0.805 -1.268 1.00 10.00 C ATOM 878 CG GLN A 63 0.351 -0.059 -0.400 1.00 10.00 C ATOM 879 CD GLN A 63 0.404 1.468 -0.412 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.620 2.117 -0.262 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.572 2.046 -0.526 1.00 10.00 N ATOM 0 H GLN A 63 2.950 -1.775 -3.359 1.00 10.00 H new ATOM 0 HA GLN A 63 0.301 -0.430 -3.116 1.00 10.00 H new ATOM 0 HB2 GLN A 63 1.270 -1.873 -1.081 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.378 -0.524 -0.921 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.645 -0.365 -0.721 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.471 -0.393 0.631 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.411 1.480 -0.650 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.643 3.063 -0.490 1.00 10.00 H new ATOM 890 N TRP A 64 1.573 1.623 -3.714 1.00 10.00 N ATOM 891 CA TRP A 64 2.335 2.781 -4.024 1.00 10.00 C ATOM 892 C TRP A 64 1.500 4.021 -3.737 1.00 10.00 C ATOM 893 O TRP A 64 0.268 3.931 -3.613 1.00 10.00 O ATOM 894 CB TRP A 64 2.826 2.762 -5.484 1.00 10.00 C ATOM 895 CG TRP A 64 1.962 3.365 -6.513 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.239 4.507 -7.176 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.712 2.908 -6.999 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.267 4.782 -8.060 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.303 3.823 -7.975 1.00 10.00 C ATOM 900 CE3 TRP A 64 -0.095 1.820 -6.716 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.878 3.683 -8.668 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.275 1.688 -7.398 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.657 2.615 -8.365 1.00 10.00 C ATOM 0 H TRP A 64 0.580 1.672 -3.943 1.00 10.00 H new ATOM 0 HA TRP A 64 3.225 2.796 -3.395 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.790 3.270 -5.518 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.002 1.723 -5.763 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.118 5.114 -7.018 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.252 5.581 -8.694 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.199 1.092 -5.974 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -1.173 4.396 -9.424 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.921 0.850 -7.182 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.594 2.480 -8.885 1.00 10.00 H new ATOM 914 N LEU A 65 2.142 5.150 -3.634 1.00 10.00 N ATOM 915 CA LEU A 65 1.448 6.380 -3.340 1.00 10.00 C ATOM 916 C LEU A 65 2.144 7.569 -3.972 1.00 10.00 C ATOM 917 O LEU A 65 3.355 7.535 -4.210 1.00 10.00 O ATOM 918 CB LEU A 65 1.314 6.536 -1.816 1.00 10.00 C ATOM 919 CG LEU A 65 2.611 6.459 -1.016 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.238 7.817 -0.807 1.00 10.00 C ATOM 921 CD2 LEU A 65 2.416 5.714 0.285 1.00 10.00 C ATOM 0 H LEU A 65 3.151 5.248 -3.749 1.00 10.00 H new ATOM 0 HA LEU A 65 0.449 6.341 -3.774 1.00 10.00 H new ATOM 0 HB2 LEU A 65 0.840 7.496 -1.610 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.639 5.762 -1.450 1.00 10.00 H new ATOM 0 HG LEU A 65 3.320 5.885 -1.613 1.00 10.00 H new ATOM 0 HD11 LEU A 65 4.158 7.708 -0.233 1.00 10.00 H new ATOM 0 HD12 LEU A 65 3.465 8.266 -1.774 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.544 8.458 -0.263 1.00 10.00 H new ATOM 0 HD21 LEU A 65 3.360 5.678 0.829 1.00 10.00 H new ATOM 0 HD22 LEU A 65 1.668 6.227 0.890 1.00 10.00 H new ATOM 0 HD23 LEU A 65 2.079 4.699 0.076 1.00 10.00 H new ATOM 933 N GLU A 66 1.373 8.569 -4.274 1.00 10.00 N ATOM 934 CA GLU A 66 1.826 9.819 -4.816 1.00 10.00 C ATOM 935 C GLU A 66 1.704 10.842 -3.689 1.00 10.00 C ATOM 936 O GLU A 66 0.624 11.008 -3.145 1.00 10.00 O ATOM 937 CB GLU A 66 0.845 10.287 -5.910 1.00 10.00 C ATOM 938 CG GLU A 66 0.461 9.306 -7.013 1.00 10.00 C ATOM 939 CD GLU A 66 -0.630 9.899 -7.916 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.314 10.710 -8.796 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.838 9.587 -7.730 1.00 10.00 O ATOM 0 H GLU A 66 0.362 8.536 -4.144 1.00 10.00 H new ATOM 0 HA GLU A 66 2.836 9.718 -5.214 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -0.073 10.607 -5.417 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.275 11.168 -6.386 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.340 9.061 -7.610 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.107 8.375 -6.570 1.00 10.00 H new ATOM 948 N GLY A 67 2.757 11.518 -3.348 1.00 10.00 N ATOM 949 CA GLY A 67 2.660 12.494 -2.293 1.00 10.00 C ATOM 950 C GLY A 67 3.883 13.371 -2.249 1.00 10.00 C ATOM 951 O GLY A 67 4.799 13.157 -3.019 1.00 10.00 O ATOM 0 H GLY A 67 3.680 11.420 -3.772 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.773 13.109 -2.444 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.538 11.988 -1.336 1.00 10.00 H new ATOM 955 N HIS A 68 3.900 14.368 -1.386 1.00 10.00 N ATOM 956 CA HIS A 68 5.111 15.176 -1.210 1.00 10.00 C ATOM 957 C HIS A 68 6.172 14.298 -0.529 1.00 10.00 C ATOM 958 O HIS A 68 5.860 13.661 0.449 1.00 10.00 O ATOM 959 CB HIS A 68 4.813 16.445 -0.363 1.00 10.00 C ATOM 960 CG HIS A 68 6.011 17.215 0.070 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.633 17.066 1.297 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.696 18.097 -0.579 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.687 17.841 1.347 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.752 18.492 0.208 1.00 10.00 N ATOM 0 H HIS A 68 3.110 14.642 -0.802 1.00 10.00 H new ATOM 0 HA HIS A 68 5.476 15.518 -2.179 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.167 17.105 -0.942 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.253 16.147 0.523 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.477 18.462 -1.571 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.377 17.929 2.173 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.465 19.175 -0.049 1.00 10.00 H new ATOM 973 N PRO A 69 7.437 14.269 -1.060 1.00 10.00 N ATOM 974 CA PRO A 69 8.552 13.387 -0.619 1.00 10.00 C ATOM 975 C PRO A 69 8.595 13.041 0.862 1.00 10.00 C ATOM 976 O PRO A 69 8.765 11.882 1.225 1.00 10.00 O ATOM 977 CB PRO A 69 9.812 14.170 -1.018 1.00 10.00 C ATOM 978 CG PRO A 69 9.327 15.363 -1.796 1.00 10.00 C ATOM 979 CD PRO A 69 7.902 15.094 -2.161 1.00 10.00 C ATOM 0 HA PRO A 69 8.441 12.408 -1.086 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.374 14.480 -0.137 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.479 13.555 -1.622 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.408 16.272 -1.200 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.933 15.513 -2.690 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.326 16.015 -2.247 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.820 14.576 -3.117 1.00 10.00 H new ATOM 987 N ALA A 70 8.410 14.011 1.713 1.00 10.00 N ATOM 988 CA ALA A 70 8.519 13.753 3.130 1.00 10.00 C ATOM 989 C ALA A 70 7.347 13.018 3.701 1.00 10.00 C ATOM 990 O ALA A 70 7.496 12.302 4.676 1.00 10.00 O ATOM 991 CB ALA A 70 8.844 14.976 3.919 1.00 10.00 C ATOM 0 H ALA A 70 8.186 14.974 1.461 1.00 10.00 H new ATOM 0 HA ALA A 70 9.370 13.079 3.224 1.00 10.00 H new ATOM 0 HB1 ALA A 70 8.913 14.719 4.976 1.00 10.00 H new ATOM 0 HB2 ALA A 70 9.797 15.384 3.582 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.060 15.720 3.777 1.00 10.00 H new ATOM 997 N ALA A 71 6.216 13.179 3.103 1.00 10.00 N ATOM 998 CA ALA A 71 5.042 12.461 3.510 1.00 10.00 C ATOM 999 C ALA A 71 5.262 11.028 3.209 1.00 10.00 C ATOM 1000 O ALA A 71 5.022 10.154 4.031 1.00 10.00 O ATOM 1001 CB ALA A 71 3.888 12.898 2.709 1.00 10.00 C ATOM 0 H ALA A 71 6.072 13.812 2.316 1.00 10.00 H new ATOM 0 HA ALA A 71 4.855 12.636 4.569 1.00 10.00 H new ATOM 0 HB1 ALA A 71 2.999 12.350 3.022 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.726 13.966 2.856 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.082 12.703 1.654 1.00 10.00 H new ATOM 1007 N VAL A 72 5.768 10.827 2.013 1.00 10.00 N ATOM 1008 CA VAL A 72 6.094 9.539 1.476 1.00 10.00 C ATOM 1009 C VAL A 72 7.057 8.875 2.419 1.00 10.00 C ATOM 1010 O VAL A 72 6.884 7.738 2.780 1.00 10.00 O ATOM 1011 CB VAL A 72 6.794 9.683 0.104 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.815 8.403 -0.620 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.157 10.741 -0.738 1.00 10.00 C ATOM 0 H VAL A 72 5.969 11.591 1.368 1.00 10.00 H new ATOM 0 HA VAL A 72 5.180 8.958 1.354 1.00 10.00 H new ATOM 0 HB VAL A 72 7.821 9.987 0.305 1.00 10.00 H new ATOM 0 HG11 VAL A 72 7.313 8.536 -1.580 1.00 10.00 H new ATOM 0 HG12 VAL A 72 7.354 7.661 -0.031 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.793 8.062 -0.786 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.679 10.810 -1.693 1.00 10.00 H new ATOM 0 HG22 VAL A 72 5.112 10.486 -0.913 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.215 11.700 -0.223 1.00 10.00 H new ATOM 1023 N ALA A 73 8.047 9.630 2.843 1.00 10.00 N ATOM 1024 CA ALA A 73 9.054 9.138 3.740 1.00 10.00 C ATOM 1025 C ALA A 73 8.564 8.919 5.160 1.00 10.00 C ATOM 1026 O ALA A 73 9.061 8.032 5.836 1.00 10.00 O ATOM 1027 CB ALA A 73 10.222 10.019 3.768 1.00 10.00 C ATOM 0 H ALA A 73 8.171 10.605 2.571 1.00 10.00 H new ATOM 0 HA ALA A 73 9.329 8.163 3.338 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.965 9.617 4.457 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.652 10.085 2.769 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.920 11.013 4.099 1.00 10.00 H new ATOM 1033 N GLU A 74 7.657 9.756 5.632 1.00 10.00 N ATOM 1034 CA GLU A 74 7.035 9.559 6.960 1.00 10.00 C ATOM 1035 C GLU A 74 6.296 8.239 6.920 1.00 10.00 C ATOM 1036 O GLU A 74 6.388 7.403 7.836 1.00 10.00 O ATOM 1037 CB GLU A 74 6.069 10.716 7.294 1.00 10.00 C ATOM 1038 CG GLU A 74 5.435 10.641 8.685 1.00 10.00 C ATOM 1039 CD GLU A 74 3.927 10.487 8.651 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.202 11.524 8.620 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.427 9.341 8.675 1.00 10.00 O ATOM 0 H GLU A 74 7.326 10.580 5.130 1.00 10.00 H new ATOM 0 HA GLU A 74 7.798 9.548 7.738 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.609 11.659 7.207 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.274 10.734 6.548 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.867 9.800 9.228 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.688 11.544 9.241 1.00 10.00 H new ATOM 1048 N VAL A 75 5.613 8.049 5.819 1.00 10.00 N ATOM 1049 CA VAL A 75 4.958 6.826 5.501 1.00 10.00 C ATOM 1050 C VAL A 75 5.995 5.690 5.431 1.00 10.00 C ATOM 1051 O VAL A 75 5.812 4.662 6.065 1.00 10.00 O ATOM 1052 CB VAL A 75 4.162 6.980 4.172 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.745 5.662 3.607 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.934 7.841 4.392 1.00 10.00 C ATOM 0 H VAL A 75 5.500 8.768 5.105 1.00 10.00 H new ATOM 0 HA VAL A 75 4.240 6.572 6.281 1.00 10.00 H new ATOM 0 HB VAL A 75 4.830 7.458 3.455 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.193 5.821 2.681 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.629 5.057 3.403 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.108 5.144 4.324 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.387 7.940 3.455 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.292 7.375 5.139 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.239 8.828 4.740 1.00 10.00 H new ATOM 1064 N MET A 76 7.098 5.898 4.676 1.00 10.00 N ATOM 1065 CA MET A 76 8.192 4.941 4.600 1.00 10.00 C ATOM 1066 C MET A 76 8.714 4.572 5.967 1.00 10.00 C ATOM 1067 O MET A 76 8.785 3.419 6.272 1.00 10.00 O ATOM 1068 CB MET A 76 9.349 5.462 3.733 1.00 10.00 C ATOM 1069 CG MET A 76 9.034 5.722 2.273 1.00 10.00 C ATOM 1070 SD MET A 76 8.896 4.284 1.195 1.00 10.00 S ATOM 1071 CE MET A 76 7.430 3.504 1.824 1.00 10.00 C ATOM 0 H MET A 76 7.241 6.734 4.110 1.00 10.00 H new ATOM 0 HA MET A 76 7.779 4.047 4.132 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.715 6.389 4.174 1.00 10.00 H new ATOM 0 HB3 MET A 76 10.165 4.741 3.783 1.00 10.00 H new ATOM 0 HG2 MET A 76 8.096 6.274 2.222 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.809 6.374 1.870 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.888 3.033 1.004 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.707 2.747 2.558 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.794 4.252 2.297 1.00 10.00 H new ATOM 1081 N SER A 77 9.034 5.556 6.784 1.00 10.00 N ATOM 1082 CA SER A 77 9.574 5.333 8.127 1.00 10.00 C ATOM 1083 C SER A 77 8.634 4.447 8.939 1.00 10.00 C ATOM 1084 O SER A 77 9.074 3.526 9.626 1.00 10.00 O ATOM 1085 CB SER A 77 9.816 6.687 8.837 1.00 10.00 C ATOM 1086 OG SER A 77 10.490 6.529 10.080 1.00 10.00 O ATOM 0 H SER A 77 8.929 6.541 6.541 1.00 10.00 H new ATOM 0 HA SER A 77 10.531 4.818 8.042 1.00 10.00 H new ATOM 0 HB2 SER A 77 10.403 7.336 8.187 1.00 10.00 H new ATOM 0 HB3 SER A 77 8.860 7.184 9.004 1.00 10.00 H new ATOM 0 HG SER A 77 10.624 7.407 10.494 1.00 10.00 H new ATOM 1092 N HIS A 78 7.357 4.704 8.823 1.00 10.00 N ATOM 1093 CA HIS A 78 6.355 3.909 9.508 1.00 10.00 C ATOM 1094 C HIS A 78 6.230 2.495 8.908 1.00 10.00 C ATOM 1095 O HIS A 78 6.131 1.507 9.623 1.00 10.00 O ATOM 1096 CB HIS A 78 5.001 4.620 9.488 1.00 10.00 C ATOM 1097 CG HIS A 78 4.904 5.793 10.423 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.368 7.017 10.083 1.00 10.00 N ATOM 1099 CD2 HIS A 78 5.200 5.885 11.735 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.336 7.782 11.146 1.00 10.00 C ATOM 1101 NE2 HIS A 78 4.830 7.121 12.161 1.00 10.00 N ATOM 0 H HIS A 78 6.978 5.463 8.257 1.00 10.00 H new ATOM 0 HA HIS A 78 6.681 3.796 10.542 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.798 4.962 8.473 1.00 10.00 H new ATOM 0 HB3 HIS A 78 4.223 3.901 9.744 1.00 10.00 H new ATOM 0 HD1 HIS A 78 4.048 7.284 9.152 1.00 10.00 H new ATOM 0 HD2 HIS A 78 5.651 5.113 12.340 1.00 10.00 H new ATOM 0 HE1 HIS A 78 3.962 8.795 11.179 1.00 10.00 H new ATOM 1110 N ILE A 79 6.278 2.431 7.613 1.00 10.00 N ATOM 1111 CA ILE A 79 6.120 1.213 6.831 1.00 10.00 C ATOM 1112 C ILE A 79 7.334 0.273 6.868 1.00 10.00 C ATOM 1113 O ILE A 79 7.174 -0.963 6.943 1.00 10.00 O ATOM 1114 CB ILE A 79 5.696 1.604 5.396 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.187 1.828 5.321 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.228 0.705 4.325 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.698 2.271 3.979 1.00 10.00 C ATOM 0 H ILE A 79 6.435 3.255 7.033 1.00 10.00 H new ATOM 0 HA ILE A 79 5.335 0.613 7.292 1.00 10.00 H new ATOM 0 HB ILE A 79 6.179 2.556 5.177 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.680 0.902 5.592 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.905 2.575 6.063 1.00 10.00 H new ATOM 0 HG21 ILE A 79 5.881 1.053 3.352 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.318 0.717 4.348 1.00 10.00 H new ATOM 0 HG23 ILE A 79 5.873 -0.312 4.494 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.617 2.407 4.012 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.174 3.214 3.711 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.946 1.515 3.234 1.00 10.00 H new ATOM 1129 N GLN A 80 8.508 0.839 6.774 1.00 10.00 N ATOM 1130 CA GLN A 80 9.763 0.134 6.873 1.00 10.00 C ATOM 1131 C GLN A 80 9.978 -0.450 8.277 1.00 10.00 C ATOM 1132 O GLN A 80 10.852 -1.261 8.485 1.00 10.00 O ATOM 1133 CB GLN A 80 10.891 1.057 6.419 1.00 10.00 C ATOM 1134 CG GLN A 80 10.728 1.494 4.955 1.00 10.00 C ATOM 1135 CD GLN A 80 10.752 0.361 4.044 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.791 -0.044 3.558 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.649 -0.154 3.787 1.00 10.00 N ATOM 0 H GLN A 80 8.623 1.841 6.621 1.00 10.00 H new ATOM 0 HA GLN A 80 9.752 -0.730 6.209 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.917 1.939 7.059 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.847 0.547 6.540 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.787 2.032 4.840 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.527 2.188 4.692 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.801 0.216 4.216 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.593 -0.946 3.147 1.00 10.00 H new ATOM 1146 N ARG A 81 9.134 -0.037 9.233 1.00 10.00 N ATOM 1147 CA ARG A 81 9.049 -0.678 10.573 1.00 10.00 C ATOM 1148 C ARG A 81 8.220 -1.988 10.489 1.00 10.00 C ATOM 1149 O ARG A 81 7.688 -2.454 11.497 1.00 10.00 O ATOM 1150 CB ARG A 81 8.366 0.251 11.573 1.00 10.00 C ATOM 1151 CG ARG A 81 9.160 1.456 11.970 1.00 10.00 C ATOM 1152 CD ARG A 81 8.313 2.416 12.794 1.00 10.00 C ATOM 1153 NE ARG A 81 7.793 1.815 14.042 1.00 10.00 N ATOM 1154 CZ ARG A 81 6.533 1.942 14.481 1.00 10.00 C ATOM 1155 NH1 ARG A 81 5.606 2.419 13.672 1.00 10.00 N ATOM 1156 NH2 ARG A 81 6.185 1.526 15.707 1.00 10.00 N ATOM 0 H ARG A 81 8.491 0.745 9.111 1.00 10.00 H new ATOM 0 HA ARG A 81 10.065 -0.893 10.902 1.00 10.00 H new ATOM 0 HB2 ARG A 81 7.419 0.584 11.147 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.129 -0.320 12.471 1.00 10.00 H new ATOM 0 HG2 ARG A 81 10.033 1.148 12.546 1.00 10.00 H new ATOM 0 HG3 ARG A 81 9.529 1.963 11.079 1.00 10.00 H new ATOM 0 HD2 ARG A 81 8.909 3.294 13.043 1.00 10.00 H new ATOM 0 HD3 ARG A 81 7.475 2.761 12.189 1.00 10.00 H new ATOM 0 HE ARG A 81 8.439 1.265 14.608 1.00 10.00 H new ATOM 0 HH11 ARG A 81 5.850 2.688 12.719 1.00 10.00 H new ATOM 0 HH12 ARG A 81 4.645 2.518 14.000 1.00 10.00 H new ATOM 0 HH21 ARG A 81 6.883 1.106 16.320 1.00 10.00 H new ATOM 0 HH22 ARG A 81 5.222 1.630 16.026 1.00 10.00 H new ATOM 1170 N ASP A 82 8.135 -2.539 9.266 1.00 10.00 N ATOM 1171 CA ASP A 82 7.415 -3.780 8.887 1.00 10.00 C ATOM 1172 C ASP A 82 7.084 -4.768 9.974 1.00 10.00 C ATOM 1173 O ASP A 82 7.918 -5.166 10.795 1.00 10.00 O ATOM 1174 CB ASP A 82 7.986 -4.412 7.623 1.00 10.00 C ATOM 1175 CG ASP A 82 7.581 -5.847 7.341 1.00 10.00 C ATOM 1176 OD1 ASP A 82 6.390 -6.133 7.406 1.00 10.00 O ATOM 1177 OD2 ASP A 82 8.449 -6.661 6.954 1.00 10.00 O ATOM 0 H ASP A 82 8.593 -2.108 8.463 1.00 10.00 H new ATOM 0 HA ASP A 82 6.415 -3.414 8.656 1.00 10.00 H new ATOM 0 HB2 ASP A 82 7.689 -3.800 6.771 1.00 10.00 H new ATOM 0 HB3 ASP A 82 9.074 -4.370 7.682 1.00 10.00 H new ATOM 1182 N ARG A 83 5.856 -5.212 9.869 1.00 10.00 N ATOM 1183 CA ARG A 83 5.144 -5.911 10.890 1.00 10.00 C ATOM 1184 C ARG A 83 3.799 -6.431 10.304 1.00 10.00 C ATOM 1185 O ARG A 83 3.417 -7.579 10.507 1.00 10.00 O ATOM 1186 CB ARG A 83 4.911 -4.922 12.055 1.00 10.00 C ATOM 1187 CG ARG A 83 4.352 -3.570 11.592 1.00 10.00 C ATOM 1188 CD ARG A 83 4.144 -2.608 12.757 1.00 10.00 C ATOM 1189 NE ARG A 83 3.378 -1.417 12.347 1.00 10.00 N ATOM 1190 CZ ARG A 83 2.734 -0.587 13.190 1.00 10.00 C ATOM 1191 NH1 ARG A 83 2.857 -0.729 14.501 1.00 10.00 N ATOM 1192 NH2 ARG A 83 1.997 0.399 12.721 1.00 10.00 N ATOM 0 H ARG A 83 5.304 -5.085 9.021 1.00 10.00 H new ATOM 0 HA ARG A 83 5.703 -6.772 11.256 1.00 10.00 H new ATOM 0 HB2 ARG A 83 4.220 -5.368 12.771 1.00 10.00 H new ATOM 0 HB3 ARG A 83 5.852 -4.759 12.580 1.00 10.00 H new ATOM 0 HG2 ARG A 83 5.036 -3.123 10.871 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.404 -3.727 11.078 1.00 10.00 H new ATOM 0 HD2 ARG A 83 3.618 -3.120 13.563 1.00 10.00 H new ATOM 0 HD3 ARG A 83 5.112 -2.300 13.153 1.00 10.00 H new ATOM 0 HE ARG A 83 3.332 -1.206 11.350 1.00 10.00 H new ATOM 0 HH11 ARG A 83 3.444 -1.472 14.881 1.00 10.00 H new ATOM 0 HH12 ARG A 83 2.365 -0.095 15.131 1.00 10.00 H new ATOM 0 HH21 ARG A 83 1.911 0.537 11.714 1.00 10.00 H new ATOM 0 HH22 ARG A 83 1.512 1.024 13.365 1.00 10.00 H new ATOM 1206 N ARG A 84 3.103 -5.562 9.538 1.00 10.00 N ATOM 1207 CA ARG A 84 1.816 -5.919 8.907 1.00 10.00 C ATOM 1208 C ARG A 84 1.954 -6.193 7.407 1.00 10.00 C ATOM 1209 O ARG A 84 0.996 -6.076 6.662 1.00 10.00 O ATOM 1210 CB ARG A 84 0.752 -4.844 9.076 1.00 10.00 C ATOM 1211 CG ARG A 84 -0.023 -4.795 10.380 1.00 10.00 C ATOM 1212 CD ARG A 84 0.797 -4.395 11.579 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.098 -4.103 12.678 1.00 10.00 N ATOM 1214 CZ ARG A 84 0.160 -4.183 13.985 1.00 10.00 C ATOM 1215 NH1 ARG A 84 1.342 -4.583 14.431 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -0.804 -3.921 14.842 1.00 10.00 N ATOM 0 H ARG A 84 3.412 -4.610 9.343 1.00 10.00 H new ATOM 0 HA ARG A 84 1.507 -6.825 9.427 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.234 -3.876 8.939 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.032 -4.959 8.266 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -0.850 -4.093 10.271 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -0.460 -5.776 10.565 1.00 10.00 H new ATOM 0 HD2 ARG A 84 1.482 -5.197 11.853 1.00 10.00 H new ATOM 0 HD3 ARG A 84 1.406 -3.522 11.346 1.00 10.00 H new ATOM 0 HE ARG A 84 -1.038 -3.800 12.423 1.00 10.00 H new ATOM 0 HH11 ARG A 84 2.077 -4.837 13.771 1.00 10.00 H new ATOM 0 HH12 ARG A 84 1.517 -4.637 15.434 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -1.731 -3.662 14.504 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -0.624 -3.977 15.844 1.00 10.00 H new ATOM 1230 N HIS A 85 3.112 -6.556 6.980 1.00 10.00 N ATOM 1231 CA HIS A 85 3.366 -6.922 5.622 1.00 10.00 C ATOM 1232 C HIS A 85 4.599 -7.729 5.628 1.00 10.00 C ATOM 1233 O HIS A 85 4.925 -8.291 6.658 1.00 10.00 O ATOM 1234 CB HIS A 85 3.403 -5.710 4.606 1.00 10.00 C ATOM 1235 CG HIS A 85 4.149 -4.450 4.983 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.900 -3.240 4.383 1.00 10.00 N ATOM 1237 CD2 HIS A 85 5.110 -4.194 5.889 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.665 -2.335 4.914 1.00 10.00 C ATOM 1239 NE2 HIS A 85 5.393 -2.886 5.828 1.00 10.00 N ATOM 0 H HIS A 85 3.936 -6.610 7.579 1.00 10.00 H new ATOM 0 HA HIS A 85 2.528 -7.505 5.239 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.831 -6.077 3.673 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.371 -5.429 4.394 1.00 10.00 H new ATOM 0 HD2 HIS A 85 5.571 -4.915 6.548 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.689 -1.291 4.637 1.00 10.00 H new ATOM 0 HE2 HIS A 85 6.075 -2.402 6.411 1.00 10.00 H new ATOM 1248 N SER A 86 5.237 -7.872 4.529 1.00 10.00 N ATOM 1249 CA SER A 86 6.453 -8.587 4.519 1.00 10.00 C ATOM 1250 C SER A 86 7.492 -7.991 3.630 1.00 10.00 C ATOM 1251 O SER A 86 7.269 -7.797 2.428 1.00 10.00 O ATOM 1252 CB SER A 86 6.190 -9.975 4.187 1.00 10.00 C ATOM 1253 OG SER A 86 5.660 -10.667 5.280 1.00 10.00 O ATOM 0 H SER A 86 4.938 -7.504 3.626 1.00 10.00 H new ATOM 0 HA SER A 86 6.878 -8.526 5.521 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.494 -10.025 3.350 1.00 10.00 H new ATOM 0 HB3 SER A 86 7.113 -10.455 3.863 1.00 10.00 H new ATOM 0 HG SER A 86 5.786 -11.630 5.150 1.00 10.00 H new ATOM 1259 N ASN A 87 8.566 -7.598 4.257 1.00 10.00 N ATOM 1260 CA ASN A 87 9.831 -7.119 3.644 1.00 10.00 C ATOM 1261 C ASN A 87 9.806 -5.707 3.192 1.00 10.00 C ATOM 1262 O ASN A 87 10.784 -4.982 3.351 1.00 10.00 O ATOM 1263 CB ASN A 87 10.417 -8.055 2.570 1.00 10.00 C ATOM 1264 CG ASN A 87 10.678 -9.461 3.074 1.00 10.00 C ATOM 1265 OD1 ASN A 87 10.924 -9.683 4.250 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.654 -10.411 2.189 1.00 10.00 N ATOM 0 H ASN A 87 8.611 -7.593 5.276 1.00 10.00 H new ATOM 0 HA ASN A 87 10.526 -7.150 4.483 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.730 -8.102 1.725 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.350 -7.631 2.199 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.844 -11.373 2.469 1.00 10.00 H new ATOM 0 HD22 ASN A 87 10.445 -10.195 1.214 1.00 10.00 H new ATOM 1273 N VAL A 88 8.694 -5.333 2.693 1.00 10.00 N ATOM 1274 CA VAL A 88 8.408 -4.056 2.140 1.00 10.00 C ATOM 1275 C VAL A 88 9.501 -3.423 1.335 1.00 10.00 C ATOM 1276 O VAL A 88 10.207 -2.493 1.759 1.00 10.00 O ATOM 1277 CB VAL A 88 7.624 -3.129 3.065 1.00 10.00 C ATOM 1278 CG1 VAL A 88 8.265 -2.911 4.385 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.271 -1.824 2.427 1.00 10.00 C ATOM 0 H VAL A 88 7.889 -5.959 2.654 1.00 10.00 H new ATOM 0 HA VAL A 88 7.690 -4.282 1.352 1.00 10.00 H new ATOM 0 HB VAL A 88 6.696 -3.669 3.252 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.647 -2.242 4.983 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.370 -3.866 4.900 1.00 10.00 H new ATOM 0 HG13 VAL A 88 9.249 -2.465 4.242 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.715 -1.211 3.136 1.00 10.00 H new ATOM 0 HG22 VAL A 88 8.183 -1.304 2.135 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.657 -2.005 1.544 1.00 10.00 H new ATOM 1289 N GLU A 89 9.646 -3.970 0.196 1.00 10.00 N ATOM 1290 CA GLU A 89 10.635 -3.583 -0.720 1.00 10.00 C ATOM 1291 C GLU A 89 10.075 -2.525 -1.613 1.00 10.00 C ATOM 1292 O GLU A 89 9.324 -2.824 -2.545 1.00 10.00 O ATOM 1293 CB GLU A 89 11.044 -4.786 -1.512 1.00 10.00 C ATOM 1294 CG GLU A 89 11.464 -5.898 -0.633 1.00 10.00 C ATOM 1295 CD GLU A 89 11.256 -7.221 -1.264 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.111 -7.678 -1.312 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.218 -7.840 -1.738 1.00 10.00 O ATOM 0 H GLU A 89 9.054 -4.731 -0.137 1.00 10.00 H new ATOM 0 HA GLU A 89 11.509 -3.181 -0.207 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.213 -5.110 -2.138 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.863 -4.521 -2.181 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.518 -5.780 -0.380 1.00 10.00 H new ATOM 0 HG3 GLU A 89 10.904 -5.851 0.301 1.00 10.00 H new ATOM 1304 N ILE A 90 10.285 -1.299 -1.188 1.00 10.00 N ATOM 1305 CA ILE A 90 10.014 -0.096 -1.966 1.00 10.00 C ATOM 1306 C ILE A 90 10.517 -0.339 -3.350 1.00 10.00 C ATOM 1307 O ILE A 90 9.762 -0.535 -4.251 1.00 10.00 O ATOM 1308 CB ILE A 90 10.724 1.157 -1.337 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.722 1.073 0.186 1.00 10.00 C ATOM 1310 CG2 ILE A 90 10.042 2.472 -1.754 1.00 10.00 C ATOM 1311 CD1 ILE A 90 9.354 0.912 0.776 1.00 10.00 C ATOM 0 H ILE A 90 10.661 -1.098 -0.262 1.00 10.00 H new ATOM 0 HA ILE A 90 8.944 0.113 -1.973 1.00 10.00 H new ATOM 0 HB ILE A 90 11.748 1.155 -1.711 1.00 10.00 H new ATOM 0 HG12 ILE A 90 11.343 0.233 0.496 1.00 10.00 H new ATOM 0 HG13 ILE A 90 11.180 1.975 0.592 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.564 3.313 -1.298 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.074 2.570 -2.839 1.00 10.00 H new ATOM 0 HG23 ILE A 90 9.004 2.465 -1.421 1.00 10.00 H new ATOM 0 HD11 ILE A 90 9.430 0.859 1.862 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.735 1.764 0.496 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.901 -0.005 0.399 1.00 10.00 H new ATOM 1323 N LEU A 91 11.791 -0.413 -3.469 1.00 10.00 N ATOM 1324 CA LEU A 91 12.505 -0.730 -4.708 1.00 10.00 C ATOM 1325 C LEU A 91 12.358 0.344 -5.790 1.00 10.00 C ATOM 1326 O LEU A 91 13.135 0.365 -6.752 1.00 10.00 O ATOM 1327 CB LEU A 91 12.124 -2.124 -5.254 1.00 10.00 C ATOM 1328 CG LEU A 91 12.417 -3.322 -4.336 1.00 10.00 C ATOM 1329 CD1 LEU A 91 11.939 -4.608 -4.983 1.00 10.00 C ATOM 1330 CD2 LEU A 91 13.906 -3.416 -4.028 1.00 10.00 C ATOM 0 H LEU A 91 12.420 -0.251 -2.682 1.00 10.00 H new ATOM 0 HA LEU A 91 13.560 -0.749 -4.436 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.058 -2.122 -5.483 1.00 10.00 H new ATOM 0 HB3 LEU A 91 12.652 -2.278 -6.195 1.00 10.00 H new ATOM 0 HG LEU A 91 11.879 -3.173 -3.400 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.152 -5.449 -4.323 1.00 10.00 H new ATOM 0 HD12 LEU A 91 10.865 -4.549 -5.160 1.00 10.00 H new ATOM 0 HD13 LEU A 91 12.456 -4.752 -5.932 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.090 -4.271 -3.377 1.00 10.00 H new ATOM 0 HD22 LEU A 91 14.462 -3.541 -4.957 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.233 -2.503 -3.529 1.00 10.00 H new ATOM 1342 N ALA A 92 11.374 1.215 -5.653 1.00 10.00 N ATOM 1343 CA ALA A 92 11.181 2.288 -6.599 1.00 10.00 C ATOM 1344 C ALA A 92 10.648 3.529 -5.924 1.00 10.00 C ATOM 1345 O ALA A 92 9.571 3.504 -5.324 1.00 10.00 O ATOM 1346 CB ALA A 92 10.218 1.861 -7.692 1.00 10.00 C ATOM 0 H ALA A 92 10.696 1.196 -4.891 1.00 10.00 H new ATOM 0 HA ALA A 92 12.153 2.519 -7.034 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.082 2.680 -8.398 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.622 0.995 -8.215 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.257 1.601 -7.249 1.00 10.00 H new ATOM 1352 N GLU A 93 11.411 4.587 -5.985 1.00 10.00 N ATOM 1353 CA GLU A 93 10.970 5.889 -5.534 1.00 10.00 C ATOM 1354 C GLU A 93 11.268 6.897 -6.631 1.00 10.00 C ATOM 1355 O GLU A 93 12.432 7.142 -6.962 1.00 10.00 O ATOM 1356 CB GLU A 93 11.636 6.314 -4.223 1.00 10.00 C ATOM 1357 CG GLU A 93 11.344 5.432 -3.058 1.00 10.00 C ATOM 1358 CD GLU A 93 11.957 5.952 -1.795 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.512 7.005 -1.296 1.00 10.00 O ATOM 1360 OE2 GLU A 93 12.916 5.339 -1.270 1.00 10.00 O ATOM 0 H GLU A 93 12.363 4.575 -6.351 1.00 10.00 H new ATOM 0 HA GLU A 93 9.900 5.842 -5.331 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.715 6.347 -4.374 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.317 7.328 -3.982 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.265 5.347 -2.929 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.722 4.429 -3.258 1.00 10.00 H new ATOM 1367 N GLU A 94 10.240 7.443 -7.211 1.00 10.00 N ATOM 1368 CA GLU A 94 10.379 8.357 -8.324 1.00 10.00 C ATOM 1369 C GLU A 94 9.781 9.721 -8.008 1.00 10.00 C ATOM 1370 O GLU A 94 8.770 9.813 -7.327 1.00 10.00 O ATOM 1371 CB GLU A 94 9.731 7.765 -9.595 1.00 10.00 C ATOM 1372 CG GLU A 94 8.295 7.271 -9.421 1.00 10.00 C ATOM 1373 CD GLU A 94 7.680 6.765 -10.707 1.00 10.00 C ATOM 1374 OE1 GLU A 94 7.906 5.588 -11.065 1.00 10.00 O ATOM 1375 OE2 GLU A 94 6.959 7.524 -11.391 1.00 10.00 O ATOM 0 H GLU A 94 9.275 7.271 -6.930 1.00 10.00 H new ATOM 0 HA GLU A 94 11.445 8.497 -8.505 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.746 8.523 -10.378 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.345 6.934 -9.944 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.280 6.472 -8.679 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.683 8.083 -9.028 1.00 10.00 H new ATOM 1382 N SER A 95 10.422 10.766 -8.477 1.00 10.00 N ATOM 1383 CA SER A 95 9.908 12.109 -8.334 1.00 10.00 C ATOM 1384 C SER A 95 8.768 12.303 -9.315 1.00 10.00 C ATOM 1385 O SER A 95 8.926 12.058 -10.525 1.00 10.00 O ATOM 1386 CB SER A 95 11.045 13.098 -8.561 1.00 10.00 C ATOM 1387 OG SER A 95 11.897 12.650 -9.622 1.00 10.00 O ATOM 0 H SER A 95 11.314 10.710 -8.968 1.00 10.00 H new ATOM 0 HA SER A 95 9.516 12.280 -7.331 1.00 10.00 H new ATOM 0 HB2 SER A 95 10.638 14.079 -8.804 1.00 10.00 H new ATOM 0 HB3 SER A 95 11.625 13.211 -7.645 1.00 10.00 H new ATOM 0 HG SER A 95 12.621 13.297 -9.756 1.00 10.00 H new ATOM 1393 N ILE A 96 7.624 12.693 -8.814 1.00 10.00 N ATOM 1394 CA ILE A 96 6.455 12.772 -9.657 1.00 10.00 C ATOM 1395 C ILE A 96 5.799 14.128 -9.719 1.00 10.00 C ATOM 1396 O ILE A 96 6.126 15.042 -8.971 1.00 10.00 O ATOM 1397 CB ILE A 96 5.389 11.754 -9.297 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.902 11.962 -7.887 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.939 10.353 -9.486 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.583 11.356 -7.589 1.00 10.00 C ATOM 0 H ILE A 96 7.475 12.958 -7.840 1.00 10.00 H new ATOM 0 HA ILE A 96 6.869 12.553 -10.641 1.00 10.00 H new ATOM 0 HB ILE A 96 4.533 11.886 -9.959 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.639 11.550 -7.198 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.847 13.033 -7.691 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.172 9.623 -9.227 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.234 10.215 -10.526 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.806 10.212 -8.841 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.316 11.558 -6.552 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.828 11.785 -8.248 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.633 10.279 -7.748 1.00 10.00 H new ATOM 1412 N ALA A 97 4.856 14.238 -10.627 1.00 10.00 N ATOM 1413 CA ALA A 97 4.052 15.431 -10.770 1.00 10.00 C ATOM 1414 C ALA A 97 2.680 15.183 -10.269 1.00 10.00 C ATOM 1415 O ALA A 97 1.813 16.068 -10.254 1.00 10.00 O ATOM 1416 CB ALA A 97 3.981 15.869 -12.175 1.00 10.00 C ATOM 0 H ALA A 97 4.624 13.499 -11.290 1.00 10.00 H new ATOM 0 HA ALA A 97 4.526 16.219 -10.185 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.369 16.768 -12.245 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.985 16.084 -12.540 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.536 15.079 -12.780 1.00 10.00 H new ATOM 1422 N LYS A 98 2.533 13.988 -9.831 1.00 10.00 N ATOM 1423 CA LYS A 98 1.365 13.434 -9.320 1.00 10.00 C ATOM 1424 C LYS A 98 0.200 13.534 -10.330 1.00 10.00 C ATOM 1425 O LYS A 98 0.439 13.682 -11.549 1.00 10.00 O ATOM 1426 CB LYS A 98 1.138 14.121 -8.023 1.00 10.00 C ATOM 1427 CG LYS A 98 0.255 13.439 -7.110 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.751 14.327 -6.486 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.237 14.743 -5.188 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.191 15.578 -4.431 1.00 10.00 N ATOM 0 H LYS A 98 3.307 13.324 -9.827 1.00 10.00 H new ATOM 0 HA LYS A 98 1.442 12.360 -9.148 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.101 14.263 -7.533 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.732 15.113 -8.222 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.259 12.640 -7.643 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.849 12.969 -6.326 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.938 15.195 -7.118 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.701 13.806 -6.371 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.009 13.859 -4.600 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.690 15.299 -5.331 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -0.798 16.534 -4.313 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -2.090 15.635 -4.950 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.357 15.154 -3.496 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.018 13.322 -9.836 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.260 13.462 -10.598 1.00 10.00 C ATOM 1446 C ARG A 99 -2.576 12.205 -11.376 1.00 10.00 C ATOM 1447 O ARG A 99 -3.272 12.244 -12.389 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.258 14.729 -11.496 1.00 10.00 C ATOM 1449 CG ARG A 99 -2.301 16.086 -10.777 1.00 10.00 C ATOM 1450 CD ARG A 99 -3.689 16.449 -10.240 1.00 10.00 C ATOM 1451 NE ARG A 99 -4.117 15.666 -9.065 1.00 10.00 N ATOM 1452 CZ ARG A 99 -5.408 15.440 -8.742 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -6.385 15.867 -9.546 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -5.716 14.830 -7.596 1.00 10.00 N ATOM 0 H ARG A 99 -1.174 13.040 -8.868 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.066 13.602 -9.878 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.364 14.703 -12.119 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -3.116 14.672 -12.166 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -1.592 16.072 -9.949 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -1.972 16.864 -11.466 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -3.697 17.507 -9.978 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -4.420 16.312 -11.037 1.00 10.00 H new ATOM 0 HE ARG A 99 -3.395 15.272 -8.461 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -6.156 16.365 -10.406 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -7.360 15.695 -9.300 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -4.975 14.533 -6.961 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -6.692 14.661 -7.355 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.120 11.092 -10.868 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.381 9.828 -11.486 1.00 10.00 C ATOM 1470 C ARG A 100 -3.673 9.223 -10.942 1.00 10.00 C ATOM 1471 O ARG A 100 -4.653 9.091 -11.672 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.213 8.887 -11.262 1.00 10.00 C ATOM 1473 CG ARG A 100 0.101 9.462 -11.744 1.00 10.00 C ATOM 1474 CD ARG A 100 1.266 8.570 -11.357 1.00 10.00 C ATOM 1475 NE ARG A 100 2.555 9.090 -11.838 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.742 8.467 -11.707 1.00 10.00 C ATOM 1477 NH1 ARG A 100 3.828 7.279 -11.125 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.840 9.025 -12.173 1.00 10.00 N ATOM 0 H ARG A 100 -1.560 11.040 -10.017 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.503 9.981 -12.558 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.136 8.657 -10.199 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.405 7.947 -11.779 1.00 10.00 H new ATOM 0 HG2 ARG A 100 0.074 9.579 -12.827 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.244 10.456 -11.319 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.299 8.471 -10.272 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.106 7.571 -11.763 1.00 10.00 H new ATOM 0 HE ARG A 100 2.550 9.995 -12.309 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.988 6.824 -10.769 1.00 10.00 H new ATOM 0 HH12 ARG A 100 4.734 6.820 -11.034 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.794 9.933 -12.636 1.00 10.00 H new ATOM 0 HH22 ARG A 100 5.737 8.549 -12.071 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.709 8.926 -9.652 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.864 8.211 -9.086 1.00 10.00 C ATOM 1494 C PHE A 101 -5.802 9.084 -8.319 1.00 10.00 C ATOM 1495 O PHE A 101 -6.885 8.654 -7.932 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.474 6.941 -8.326 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.275 5.751 -9.230 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.251 5.715 -10.159 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.145 4.674 -9.163 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.095 4.631 -11.001 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -4.996 3.589 -10.003 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.970 3.566 -10.923 1.00 10.00 C ATOM 0 H PHE A 101 -2.975 9.158 -8.983 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.434 7.877 -9.953 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.555 7.125 -7.769 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.249 6.709 -7.595 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.564 6.546 -10.227 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -5.951 4.684 -8.444 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.289 4.617 -11.720 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.683 2.758 -9.939 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.851 2.718 -11.581 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.357 10.281 -8.078 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.145 11.385 -7.468 1.00 10.00 C ATOM 1514 C ALA A 102 -6.612 11.172 -6.010 1.00 10.00 C ATOM 1515 O ALA A 102 -6.927 12.133 -5.326 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.295 11.789 -8.361 1.00 10.00 C ATOM 0 H ALA A 102 -4.400 10.557 -8.299 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.431 12.205 -7.391 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.854 12.598 -7.891 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.908 12.127 -9.322 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -7.954 10.934 -8.515 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.680 9.964 -5.583 1.00 10.00 N ATOM 1523 CA GLY A 103 -6.983 9.613 -4.213 1.00 10.00 C ATOM 1524 C GLY A 103 -6.331 8.294 -3.945 1.00 10.00 C ATOM 1525 O GLY A 103 -5.904 7.667 -4.904 1.00 10.00 O ATOM 0 H GLY A 103 -6.524 9.155 -6.184 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.609 10.374 -3.528 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.060 9.549 -4.061 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.198 7.859 -2.698 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.625 6.546 -2.436 1.00 10.00 C ATOM 1531 C TRP A 104 -6.728 5.496 -2.490 1.00 10.00 C ATOM 1532 O TRP A 104 -7.869 5.779 -2.125 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.796 6.534 -1.127 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.300 5.189 -0.688 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.069 4.628 -0.874 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.053 4.253 0.040 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.046 3.385 -0.302 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.267 3.140 0.260 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.338 4.265 0.514 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.756 2.050 0.954 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.811 3.243 1.166 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -6.049 2.143 1.397 1.00 10.00 C ATOM 0 H TRP A 104 -6.473 8.384 -1.868 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.905 6.293 -3.214 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.938 7.194 -1.255 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.406 6.955 -0.328 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.243 5.093 -1.392 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.250 2.748 -0.296 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.963 5.129 0.345 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.152 1.173 1.137 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.828 3.270 1.530 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.475 1.317 1.946 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.408 4.315 -3.010 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.397 3.287 -3.220 1.00 10.00 C ATOM 1555 C HIS A 105 -6.864 1.942 -2.776 1.00 10.00 C ATOM 1556 O HIS A 105 -5.666 1.741 -2.712 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.706 3.211 -4.720 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.325 4.446 -5.300 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.587 5.449 -5.883 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.614 4.833 -5.391 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.396 6.394 -6.308 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.625 6.045 -6.022 1.00 10.00 N ATOM 0 H HIS A 105 -5.463 4.054 -3.292 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.291 3.528 -2.644 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.781 3.000 -5.256 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.376 2.369 -4.896 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.571 5.458 -5.972 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.475 4.288 -5.033 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -8.098 7.304 -6.808 1.00 10.00 H new ATOM 1571 N MET A 106 -7.737 1.038 -2.477 1.00 10.00 N ATOM 1572 CA MET A 106 -7.347 -0.313 -2.187 1.00 10.00 C ATOM 1573 C MET A 106 -8.266 -1.197 -2.988 1.00 10.00 C ATOM 1574 O MET A 106 -9.469 -1.005 -2.959 1.00 10.00 O ATOM 1575 CB MET A 106 -7.461 -0.622 -0.684 1.00 10.00 C ATOM 1576 CG MET A 106 -6.853 -1.965 -0.296 1.00 10.00 C ATOM 1577 SD MET A 106 -6.956 -2.317 1.467 1.00 10.00 S ATOM 1578 CE MET A 106 -6.004 -3.832 1.599 1.00 10.00 C ATOM 0 H MET A 106 -8.741 1.209 -2.425 1.00 10.00 H new ATOM 0 HA MET A 106 -6.303 -0.480 -2.452 1.00 10.00 H new ATOM 0 HB2 MET A 106 -6.968 0.169 -0.119 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.512 -0.611 -0.397 1.00 10.00 H new ATOM 0 HG2 MET A 106 -7.360 -2.757 -0.847 1.00 10.00 H new ATOM 0 HG3 MET A 106 -5.807 -1.983 -0.602 1.00 10.00 H new ATOM 0 HE1 MET A 106 -6.174 -4.284 2.576 1.00 10.00 H new ATOM 0 HE2 MET A 106 -6.315 -4.526 0.819 1.00 10.00 H new ATOM 0 HE3 MET A 106 -4.944 -3.607 1.483 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.723 -2.157 -3.711 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.557 -2.980 -4.592 1.00 10.00 C ATOM 1590 C GLN A 107 -9.215 -4.137 -3.822 1.00 10.00 C ATOM 1591 O GLN A 107 -9.793 -5.036 -4.410 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.731 -3.470 -5.821 1.00 10.00 C ATOM 1593 CG GLN A 107 -6.759 -4.641 -5.591 1.00 10.00 C ATOM 1594 CD GLN A 107 -7.376 -5.983 -5.966 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -8.223 -6.055 -6.860 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -6.961 -7.042 -5.328 1.00 10.00 N ATOM 0 H GLN A 107 -6.730 -2.390 -3.714 1.00 10.00 H new ATOM 0 HA GLN A 107 -9.373 -2.366 -4.974 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -8.431 -3.760 -6.605 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -7.158 -2.625 -6.202 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -5.855 -4.482 -6.179 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -6.458 -4.661 -4.543 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -6.259 -6.952 -4.593 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -7.338 -7.960 -5.564 1.00 10.00 H new