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 23:sc= 0.956 USER MOD Set 1.2: A 23 SER OG : rot 80:sc= -0.42 USER MOD Set 1.3: A 85 HIS : no HD1:sc= -10.1! C(o=-9.6!,f=-13!) USER MOD Single : A 18 SER OG : rot -120:sc= -2.57! USER MOD Single : A 19 CYS SG : rot -166:sc= -1.26 USER MOD Single : A 20 CYS SG : rot -38:sc= -1.31 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.797 USER MOD Single : A 40 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 41 SER OG : rot -141:sc= 0.04 USER MOD Single : A 42 GLN : amide:sc= -2.28! K(o=-2.3!,f=-0.27) USER MOD Single : A 44 HIS : no HD1:sc= 0.0842 K(o=0.084,f=-4.9!) USER MOD Single : A 45 ASN : amide:sc= -2.87! C(o=-2.9!,f=-5.7!) USER MOD Single : A 49 GLN : amide:sc= 0.0178 X(o=0.018,f=0) USER MOD Single : A 51 THR OG1 : rot 128:sc= -1.59! 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=-0.67) USER MOD Single : A 63 GLN : amide:sc= -0.41 K(o=-0.41,f=-3.3!) USER MOD Single : A 68 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.12) USER MOD Single : A 76 MET CE :methyl 147:sc= -1.69 (180deg=-4.04!) USER MOD Single : A 77 SER OG : rot 73:sc= 1.09 USER MOD Single : A 78 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-3!) USER MOD Single : A 80 GLN : amide:sc= -6.54! C(o=-6.5!,f=-4.3!) USER MOD Single : A 86 SER OG : rot 30:sc= -1.42! USER MOD Single : A 87 ASN : amide:sc= 0.265 K(o=0.26,f=-3.9!) USER MOD Single : A 95 SER OG : rot 36:sc= 0.0151 USER MOD Single : A 98 LYS NZ :NH3+ -133:sc= 1.23 (180deg=0.558) USER MOD Single : A 105 HIS : no HE2:sc= 0.677 K(o=0.68,f=-2.1!) USER MOD Single : A 106 MET CE :methyl -155:sc=-0.00955 (180deg=-0.749) USER MOD Single : A 107 GLN : amide:sc= -0.142 K(o=-0.14,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.433 18.827 -6.681 1.00 10.00 N ATOM 139 CA ASP A 15 7.101 18.352 -5.503 1.00 10.00 C ATOM 140 C ASP A 15 6.485 17.098 -5.020 1.00 10.00 C ATOM 141 O ASP A 15 6.224 16.917 -3.844 1.00 10.00 O ATOM 142 CB ASP A 15 7.089 19.410 -4.406 1.00 10.00 C ATOM 143 CG ASP A 15 5.707 19.991 -4.114 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.193 20.774 -4.951 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.121 19.700 -3.061 1.00 10.00 O ATOM 0 HA ASP A 15 8.139 18.146 -5.766 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.488 18.973 -3.491 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.759 20.221 -4.691 1.00 10.00 H new ATOM 150 N LEU A 16 6.296 16.227 -5.913 1.00 10.00 N ATOM 151 CA LEU A 16 5.733 14.986 -5.642 1.00 10.00 C ATOM 152 C LEU A 16 6.675 13.906 -5.979 1.00 10.00 C ATOM 153 O LEU A 16 7.595 14.076 -6.767 1.00 10.00 O ATOM 154 CB LEU A 16 4.399 14.800 -6.328 1.00 10.00 C ATOM 155 CG LEU A 16 3.314 15.828 -6.044 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.140 16.169 -4.582 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.425 17.034 -6.904 1.00 10.00 C ATOM 0 H LEU A 16 6.540 16.366 -6.894 1.00 10.00 H new ATOM 0 HA LEU A 16 5.535 14.941 -4.571 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.573 14.783 -7.404 1.00 10.00 H new ATOM 0 HB3 LEU A 16 4.013 13.819 -6.052 1.00 10.00 H new ATOM 0 HG LEU A 16 2.386 15.329 -6.322 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.347 16.908 -4.473 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.876 15.269 -4.027 1.00 10.00 H new ATOM 0 HD13 LEU A 16 4.072 16.576 -4.190 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.625 17.732 -6.657 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.390 17.513 -6.736 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.342 16.743 -7.951 1.00 10.00 H new ATOM 169 N VAL A 17 6.431 12.805 -5.385 1.00 10.00 N ATOM 170 CA VAL A 17 7.203 11.658 -5.456 1.00 10.00 C ATOM 171 C VAL A 17 6.271 10.421 -5.301 1.00 10.00 C ATOM 172 O VAL A 17 5.188 10.523 -4.729 1.00 10.00 O ATOM 173 CB VAL A 17 8.305 11.675 -4.343 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.836 10.325 -4.104 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.462 12.602 -4.691 1.00 10.00 C ATOM 0 H VAL A 17 5.612 12.686 -4.788 1.00 10.00 H new ATOM 0 HA VAL A 17 7.710 11.608 -6.420 1.00 10.00 H new ATOM 0 HB VAL A 17 7.820 12.047 -3.441 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.599 10.367 -3.327 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.028 9.667 -3.784 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.275 9.939 -5.024 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.200 12.580 -3.889 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.926 12.272 -5.620 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.089 13.619 -4.813 1.00 10.00 H new ATOM 185 N SER A 18 6.677 9.325 -5.862 1.00 10.00 N ATOM 186 CA SER A 18 5.995 8.065 -5.754 1.00 10.00 C ATOM 187 C SER A 18 6.944 6.977 -5.315 1.00 10.00 C ATOM 188 O SER A 18 7.927 6.680 -6.002 1.00 10.00 O ATOM 189 CB SER A 18 5.345 7.638 -7.075 1.00 10.00 C ATOM 190 OG SER A 18 4.261 8.457 -7.405 1.00 10.00 O ATOM 0 H SER A 18 7.523 9.277 -6.429 1.00 10.00 H new ATOM 0 HA SER A 18 5.212 8.206 -5.009 1.00 10.00 H new ATOM 0 HB2 SER A 18 6.086 7.675 -7.874 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.010 6.604 -6.998 1.00 10.00 H new ATOM 0 HG SER A 18 3.448 7.914 -7.469 1.00 10.00 H new ATOM 196 N CYS A 19 6.685 6.435 -4.174 1.00 10.00 N ATOM 197 CA CYS A 19 7.364 5.257 -3.747 1.00 10.00 C ATOM 198 C CYS A 19 6.475 4.112 -4.155 1.00 10.00 C ATOM 199 O CYS A 19 5.296 4.084 -3.783 1.00 10.00 O ATOM 200 CB CYS A 19 7.596 5.280 -2.244 1.00 10.00 C ATOM 201 SG CYS A 19 8.637 6.651 -1.706 1.00 10.00 S ATOM 0 H CYS A 19 5.998 6.794 -3.511 1.00 10.00 H new ATOM 0 HA CYS A 19 8.352 5.169 -4.198 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.634 5.342 -1.735 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.058 4.341 -1.940 1.00 10.00 H new ATOM 0 HG CYS A 19 9.031 6.444 -0.484 1.00 10.00 H new ATOM 207 N CYS A 20 6.991 3.230 -4.944 1.00 10.00 N ATOM 208 CA CYS A 20 6.191 2.184 -5.513 1.00 10.00 C ATOM 209 C CYS A 20 6.765 0.883 -5.044 1.00 10.00 C ATOM 210 O CYS A 20 7.754 0.447 -5.587 1.00 10.00 O ATOM 211 CB CYS A 20 6.291 2.331 -7.044 1.00 10.00 C ATOM 212 SG CYS A 20 5.194 1.299 -8.003 1.00 10.00 S ATOM 0 H CYS A 20 7.974 3.209 -5.215 1.00 10.00 H new ATOM 0 HA CYS A 20 5.143 2.230 -5.218 1.00 10.00 H new ATOM 0 HB2 CYS A 20 6.097 3.372 -7.303 1.00 10.00 H new ATOM 0 HB3 CYS A 20 7.316 2.114 -7.344 1.00 10.00 H new ATOM 0 HG CYS A 20 5.100 0.129 -7.444 1.00 10.00 H new ATOM 218 N TYR A 21 6.104 0.215 -4.098 1.00 10.00 N ATOM 219 CA TYR A 21 6.776 -0.843 -3.404 1.00 10.00 C ATOM 220 C TYR A 21 6.163 -2.231 -3.564 1.00 10.00 C ATOM 221 O TYR A 21 4.972 -2.386 -3.881 1.00 10.00 O ATOM 222 CB TYR A 21 6.987 -0.473 -1.922 1.00 10.00 C ATOM 223 CG TYR A 21 5.861 -0.550 -0.923 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.394 -1.760 -0.463 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.331 0.596 -0.372 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.433 -1.827 0.493 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.362 0.527 0.594 1.00 10.00 C ATOM 228 CZ TYR A 21 3.921 -0.688 1.020 1.00 10.00 C ATOM 229 OH TYR A 21 2.967 -0.774 1.988 1.00 10.00 O ATOM 0 H TYR A 21 5.140 0.390 -3.814 1.00 10.00 H new ATOM 0 HA TYR A 21 7.745 -0.934 -3.895 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.787 -1.111 -1.547 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.360 0.551 -1.901 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.800 -2.674 -0.871 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.684 1.561 -0.706 1.00 10.00 H new ATOM 0 HE1 TYR A 21 4.076 -2.788 0.834 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.950 1.432 1.015 1.00 10.00 H new ATOM 0 HH TYR A 21 3.029 -1.645 2.432 1.00 10.00 H new ATOM 239 N ARG A 22 6.985 -3.221 -3.286 1.00 10.00 N ATOM 240 CA ARG A 22 6.659 -4.619 -3.408 1.00 10.00 C ATOM 241 C ARG A 22 6.892 -5.285 -2.043 1.00 10.00 C ATOM 242 O ARG A 22 7.981 -5.212 -1.481 1.00 10.00 O ATOM 243 CB ARG A 22 7.607 -5.210 -4.479 1.00 10.00 C ATOM 244 CG ARG A 22 7.356 -6.650 -4.980 1.00 10.00 C ATOM 245 CD ARG A 22 7.639 -7.731 -3.940 1.00 10.00 C ATOM 246 NE ARG A 22 8.960 -7.561 -3.276 1.00 10.00 N ATOM 247 CZ ARG A 22 10.059 -8.301 -3.521 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.124 -9.076 -4.594 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.099 -8.225 -2.701 1.00 10.00 N ATOM 0 H ARG A 22 7.937 -3.063 -2.956 1.00 10.00 H new ATOM 0 HA ARG A 22 5.622 -4.781 -3.702 1.00 10.00 H new ATOM 0 HB2 ARG A 22 7.579 -4.549 -5.345 1.00 10.00 H new ATOM 0 HB3 ARG A 22 8.621 -5.171 -4.081 1.00 10.00 H new ATOM 0 HG2 ARG A 22 6.318 -6.735 -5.303 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.979 -6.832 -5.856 1.00 10.00 H new ATOM 0 HD2 ARG A 22 6.853 -7.717 -3.185 1.00 10.00 H new ATOM 0 HD3 ARG A 22 7.602 -8.709 -4.420 1.00 10.00 H new ATOM 0 HE ARG A 22 9.040 -6.823 -2.577 1.00 10.00 H new ATOM 0 HH11 ARG A 22 9.338 -9.116 -5.243 1.00 10.00 H new ATOM 0 HH12 ARG A 22 10.960 -9.633 -4.771 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.064 -7.608 -1.889 1.00 10.00 H new ATOM 0 HH22 ARG A 22 11.933 -8.783 -2.882 1.00 10.00 H new ATOM 263 N SER A 23 5.897 -5.921 -1.516 1.00 10.00 N ATOM 264 CA SER A 23 6.020 -6.606 -0.256 1.00 10.00 C ATOM 265 C SER A 23 5.530 -8.021 -0.399 1.00 10.00 C ATOM 266 O SER A 23 4.903 -8.362 -1.380 1.00 10.00 O ATOM 267 CB SER A 23 5.240 -5.895 0.821 1.00 10.00 C ATOM 268 OG SER A 23 5.633 -4.569 0.904 1.00 10.00 O ATOM 0 H SER A 23 4.972 -5.985 -1.942 1.00 10.00 H new ATOM 0 HA SER A 23 7.071 -6.614 0.034 1.00 10.00 H new ATOM 0 HB2 SER A 23 4.173 -5.952 0.605 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.398 -6.389 1.780 1.00 10.00 H new ATOM 0 HG SER A 23 5.194 -4.053 0.196 1.00 10.00 H new ATOM 274 N LEU A 24 5.805 -8.832 0.572 1.00 10.00 N ATOM 275 CA LEU A 24 5.414 -10.234 0.503 1.00 10.00 C ATOM 276 C LEU A 24 4.298 -10.618 1.471 1.00 10.00 C ATOM 277 O LEU A 24 4.248 -11.752 1.864 1.00 10.00 O ATOM 278 CB LEU A 24 6.650 -11.164 0.634 1.00 10.00 C ATOM 279 CG LEU A 24 7.484 -11.429 -0.637 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.620 -11.994 -1.747 1.00 10.00 C ATOM 281 CD2 LEU A 24 8.213 -10.187 -1.111 1.00 10.00 C ATOM 0 H LEU A 24 6.296 -8.565 1.425 1.00 10.00 H new ATOM 0 HA LEU A 24 4.983 -10.378 -0.488 1.00 10.00 H new ATOM 0 HB2 LEU A 24 7.312 -10.738 1.387 1.00 10.00 H new ATOM 0 HB3 LEU A 24 6.308 -12.125 1.017 1.00 10.00 H new ATOM 0 HG LEU A 24 8.238 -12.170 -0.372 1.00 10.00 H new ATOM 0 HD11 LEU A 24 7.233 -12.171 -2.631 1.00 10.00 H new ATOM 0 HD12 LEU A 24 6.175 -12.934 -1.419 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.830 -11.284 -1.990 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.787 -10.422 -2.008 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.489 -9.404 -1.338 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.888 -9.841 -0.329 1.00 10.00 H new ATOM 293 N ALA A 25 3.369 -9.656 1.743 1.00 10.00 N ATOM 294 CA ALA A 25 2.205 -9.769 2.725 1.00 10.00 C ATOM 295 C ALA A 25 2.341 -10.874 3.774 1.00 10.00 C ATOM 296 O ALA A 25 2.170 -12.061 3.459 1.00 10.00 O ATOM 297 CB ALA A 25 0.878 -9.865 2.007 1.00 10.00 C ATOM 0 H ALA A 25 3.394 -8.747 1.281 1.00 10.00 H new ATOM 0 HA ALA A 25 2.240 -8.838 3.290 1.00 10.00 H new ATOM 0 HB1 ALA A 25 0.074 -9.944 2.738 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.728 -8.973 1.398 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.874 -10.747 1.366 1.00 10.00 H new ATOM 303 N ALA A 26 2.544 -10.475 5.036 1.00 10.00 N ATOM 304 CA ALA A 26 2.878 -11.385 6.068 1.00 10.00 C ATOM 305 C ALA A 26 1.782 -12.389 6.306 1.00 10.00 C ATOM 306 O ALA A 26 0.632 -12.041 6.450 1.00 10.00 O ATOM 307 CB ALA A 26 3.232 -10.634 7.337 1.00 10.00 C ATOM 0 H ALA A 26 2.474 -9.504 5.341 1.00 10.00 H new ATOM 0 HA ALA A 26 3.754 -11.950 5.749 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.487 -11.346 8.122 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.085 -9.982 7.148 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.379 -10.034 7.654 1.00 10.00 H new ATOM 313 N PRO A 27 2.135 -13.657 6.331 1.00 10.00 N ATOM 314 CA PRO A 27 1.190 -14.768 6.606 1.00 10.00 C ATOM 315 C PRO A 27 0.571 -14.680 8.004 1.00 10.00 C ATOM 316 O PRO A 27 -0.438 -15.307 8.307 1.00 10.00 O ATOM 317 CB PRO A 27 2.100 -15.986 6.517 1.00 10.00 C ATOM 318 CG PRO A 27 3.454 -15.427 6.779 1.00 10.00 C ATOM 319 CD PRO A 27 3.487 -14.173 6.040 1.00 10.00 C ATOM 0 HA PRO A 27 0.341 -14.774 5.922 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.829 -16.744 7.252 1.00 10.00 H new ATOM 0 HB3 PRO A 27 2.044 -16.459 5.536 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.615 -15.263 7.844 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.235 -16.107 6.440 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.272 -13.504 6.393 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.653 -14.324 4.973 1.00 10.00 H new ATOM 327 N ASP A 28 1.140 -13.828 8.787 1.00 10.00 N ATOM 328 CA ASP A 28 0.790 -13.656 10.191 1.00 10.00 C ATOM 329 C ASP A 28 -0.218 -12.499 10.336 1.00 10.00 C ATOM 330 O ASP A 28 -0.509 -12.011 11.426 1.00 10.00 O ATOM 331 CB ASP A 28 2.088 -13.408 10.995 1.00 10.00 C ATOM 332 CG ASP A 28 1.906 -13.372 12.507 1.00 10.00 C ATOM 333 OD1 ASP A 28 1.515 -14.388 13.098 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.227 -12.335 13.135 1.00 10.00 O ATOM 0 H ASP A 28 1.886 -13.205 8.477 1.00 10.00 H new ATOM 0 HA ASP A 28 0.310 -14.551 10.586 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.806 -14.190 10.748 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.523 -12.462 10.673 1.00 10.00 H new ATOM 339 N LEU A 29 -0.765 -12.098 9.205 1.00 10.00 N ATOM 340 CA LEU A 29 -1.732 -11.016 9.116 1.00 10.00 C ATOM 341 C LEU A 29 -3.125 -11.405 9.531 1.00 10.00 C ATOM 342 O LEU A 29 -3.495 -12.587 9.590 1.00 10.00 O ATOM 343 CB LEU A 29 -1.806 -10.467 7.694 1.00 10.00 C ATOM 344 CG LEU A 29 -0.732 -9.493 7.282 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.853 -9.165 5.809 1.00 10.00 C ATOM 346 CD2 LEU A 29 -0.861 -8.239 8.087 1.00 10.00 C ATOM 0 H LEU A 29 -0.547 -12.522 8.303 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.369 -10.261 9.814 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.782 -11.310 7.003 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.773 -9.979 7.569 1.00 10.00 H new ATOM 0 HG LEU A 29 0.243 -9.947 7.461 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.070 -8.461 5.528 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.747 -10.078 5.223 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.829 -8.720 5.614 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -0.085 -7.534 7.790 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -1.841 -7.794 7.913 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.752 -8.474 9.146 1.00 10.00 H new ATOM 358 N THR A 30 -3.883 -10.393 9.801 1.00 10.00 N ATOM 359 CA THR A 30 -5.261 -10.491 10.071 1.00 10.00 C ATOM 360 C THR A 30 -5.992 -9.602 9.147 1.00 10.00 C ATOM 361 O THR A 30 -5.462 -8.580 8.747 1.00 10.00 O ATOM 362 CB THR A 30 -5.584 -10.074 11.480 1.00 10.00 C ATOM 363 OG1 THR A 30 -4.696 -9.054 11.955 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.633 -11.238 12.392 1.00 10.00 C ATOM 0 H THR A 30 -3.532 -9.436 9.838 1.00 10.00 H new ATOM 0 HA THR A 30 -5.556 -11.532 9.941 1.00 10.00 H new ATOM 0 HB THR A 30 -6.582 -9.635 11.466 1.00 10.00 H new ATOM 0 HG1 THR A 30 -4.940 -8.809 12.872 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.869 -10.900 13.401 1.00 10.00 H new ATOM 0 HG22 THR A 30 -6.401 -11.933 12.054 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.665 -11.740 12.394 1.00 10.00 H new ATOM 372 N LEU A 31 -7.192 -9.969 8.811 1.00 10.00 N ATOM 373 CA LEU A 31 -8.045 -9.156 7.975 1.00 10.00 C ATOM 374 C LEU A 31 -8.261 -7.846 8.649 1.00 10.00 C ATOM 375 O LEU A 31 -8.217 -6.810 8.005 1.00 10.00 O ATOM 376 CB LEU A 31 -9.367 -9.814 7.844 1.00 10.00 C ATOM 377 CG LEU A 31 -10.421 -9.123 6.972 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.021 -9.107 5.509 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.775 -9.773 7.162 1.00 10.00 C ATOM 0 H LEU A 31 -7.617 -10.847 9.108 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.582 -9.025 6.997 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -9.206 -10.816 7.445 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.784 -9.932 8.844 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.489 -8.084 7.295 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.795 -8.608 4.926 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.079 -8.571 5.395 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.901 -10.130 5.153 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.511 -9.270 6.535 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.717 -10.824 6.880 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -12.073 -9.694 8.207 1.00 10.00 H new ATOM 391 N ARG A 32 -8.413 -7.871 9.974 1.00 10.00 N ATOM 392 CA ARG A 32 -8.657 -6.632 10.660 1.00 10.00 C ATOM 393 C ARG A 32 -7.438 -5.736 10.576 1.00 10.00 C ATOM 394 O ARG A 32 -7.556 -4.550 10.656 1.00 10.00 O ATOM 395 CB ARG A 32 -9.148 -6.797 12.114 1.00 10.00 C ATOM 396 CG ARG A 32 -9.496 -5.451 12.779 1.00 10.00 C ATOM 397 CD ARG A 32 -10.597 -4.727 11.996 1.00 10.00 C ATOM 398 NE ARG A 32 -10.733 -3.308 12.349 1.00 10.00 N ATOM 399 CZ ARG A 32 -11.351 -2.396 11.577 1.00 10.00 C ATOM 400 NH1 ARG A 32 -12.003 -2.785 10.480 1.00 10.00 N ATOM 401 NH2 ARG A 32 -11.338 -1.114 11.913 1.00 10.00 N ATOM 0 H ARG A 32 -8.372 -8.705 10.560 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.488 -6.154 10.142 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -10.027 -7.442 12.126 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.377 -7.298 12.699 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.824 -5.621 13.805 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.606 -4.824 12.829 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.387 -4.809 10.930 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.548 -5.230 12.173 1.00 10.00 H new ATOM 0 HE ARG A 32 -10.334 -2.995 13.234 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.032 -3.773 10.228 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -12.472 -2.095 9.894 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -10.857 -0.814 12.761 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -11.808 -0.427 11.323 1.00 10.00 H new ATOM 415 N ASP A 33 -6.289 -6.317 10.330 1.00 10.00 N ATOM 416 CA ASP A 33 -5.079 -5.541 10.197 1.00 10.00 C ATOM 417 C ASP A 33 -5.034 -4.886 8.818 1.00 10.00 C ATOM 418 O ASP A 33 -4.547 -3.772 8.687 1.00 10.00 O ATOM 419 CB ASP A 33 -3.844 -6.400 10.453 1.00 10.00 C ATOM 420 CG ASP A 33 -2.573 -5.594 10.584 1.00 10.00 C ATOM 421 OD1 ASP A 33 -2.457 -4.804 11.535 1.00 10.00 O ATOM 422 OD2 ASP A 33 -1.654 -5.800 9.808 1.00 10.00 O ATOM 0 H ASP A 33 -6.166 -7.323 10.218 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.080 -4.754 10.951 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.995 -6.979 11.364 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.731 -7.114 9.637 1.00 10.00 H new ATOM 427 N LEU A 34 -5.634 -5.541 7.785 1.00 10.00 N ATOM 428 CA LEU A 34 -5.665 -4.897 6.430 1.00 10.00 C ATOM 429 C LEU A 34 -6.684 -3.822 6.442 1.00 10.00 C ATOM 430 O LEU A 34 -6.515 -2.747 5.856 1.00 10.00 O ATOM 431 CB LEU A 34 -6.012 -5.858 5.261 1.00 10.00 C ATOM 432 CG LEU A 34 -4.971 -6.885 4.822 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.678 -6.214 4.387 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.722 -7.850 5.918 1.00 10.00 C ATOM 0 H LEU A 34 -6.078 -6.457 7.848 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.654 -4.531 6.251 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.916 -6.401 5.537 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.260 -5.247 4.393 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.363 -7.423 3.959 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.959 -6.974 4.081 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.879 -5.546 3.549 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.268 -5.641 5.218 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.978 -8.580 5.598 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.354 -7.318 6.795 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.650 -8.364 6.168 1.00 10.00 H new ATOM 446 N LEU A 35 -7.749 -4.122 7.116 1.00 10.00 N ATOM 447 CA LEU A 35 -8.856 -3.228 7.254 1.00 10.00 C ATOM 448 C LEU A 35 -8.469 -2.070 8.153 1.00 10.00 C ATOM 449 O LEU A 35 -8.910 -0.951 7.973 1.00 10.00 O ATOM 450 CB LEU A 35 -10.109 -3.999 7.726 1.00 10.00 C ATOM 451 CG LEU A 35 -10.853 -4.854 6.641 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.682 -3.955 5.743 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.860 -5.629 5.768 1.00 10.00 C ATOM 0 H LEU A 35 -7.876 -5.013 7.596 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.119 -2.794 6.289 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.816 -4.661 8.541 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.817 -3.280 8.139 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.496 -5.560 7.166 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.193 -4.560 4.994 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.419 -3.421 6.343 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.030 -3.237 5.245 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.406 -6.212 5.026 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.196 -4.928 5.262 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.271 -6.299 6.394 1.00 10.00 H new ATOM 465 N ASP A 36 -7.592 -2.350 9.077 1.00 10.00 N ATOM 466 CA ASP A 36 -7.006 -1.311 9.943 1.00 10.00 C ATOM 467 C ASP A 36 -6.151 -0.389 9.105 1.00 10.00 C ATOM 468 O ASP A 36 -6.247 0.844 9.221 1.00 10.00 O ATOM 469 CB ASP A 36 -6.158 -1.920 11.054 1.00 10.00 C ATOM 470 CG ASP A 36 -5.516 -0.887 11.930 1.00 10.00 C ATOM 471 OD1 ASP A 36 -6.235 -0.277 12.756 1.00 10.00 O ATOM 472 OD2 ASP A 36 -4.284 -0.673 11.825 1.00 10.00 O ATOM 0 H ASP A 36 -7.251 -3.293 9.267 1.00 10.00 H new ATOM 0 HA ASP A 36 -7.821 -0.755 10.408 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -6.783 -2.571 11.666 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.383 -2.546 10.611 1.00 10.00 H new ATOM 477 N ILE A 37 -5.314 -0.999 8.258 1.00 10.00 N ATOM 478 CA ILE A 37 -4.502 -0.283 7.286 1.00 10.00 C ATOM 479 C ILE A 37 -5.378 0.657 6.467 1.00 10.00 C ATOM 480 O ILE A 37 -5.165 1.838 6.503 1.00 10.00 O ATOM 481 CB ILE A 37 -3.728 -1.272 6.336 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.522 -1.900 7.032 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.265 -0.593 5.040 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.176 -3.295 6.519 1.00 10.00 C ATOM 0 H ILE A 37 -5.185 -2.011 8.233 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.760 0.299 7.833 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.441 -2.056 6.081 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.658 -1.249 6.900 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -2.719 -1.955 8.103 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.737 -1.316 4.419 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -4.132 -0.214 4.498 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.598 0.234 5.281 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.310 -3.677 7.059 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.024 -3.961 6.676 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.946 -3.245 5.455 1.00 10.00 H new ATOM 496 N VAL A 38 -6.394 0.127 5.781 1.00 10.00 N ATOM 497 CA VAL A 38 -7.264 0.962 4.921 1.00 10.00 C ATOM 498 C VAL A 38 -7.924 2.126 5.673 1.00 10.00 C ATOM 499 O VAL A 38 -7.778 3.287 5.256 1.00 10.00 O ATOM 500 CB VAL A 38 -8.310 0.142 4.049 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.096 -0.810 4.876 1.00 10.00 C ATOM 502 CG2 VAL A 38 -9.260 1.051 3.278 1.00 10.00 C ATOM 0 H VAL A 38 -6.640 -0.863 5.797 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.575 1.404 4.202 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.717 -0.424 3.330 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.799 -1.350 4.241 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.421 -1.519 5.355 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.646 -0.260 5.640 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.955 0.443 2.698 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.819 1.672 3.979 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.687 1.689 2.605 1.00 10.00 H new ATOM 512 N GLU A 39 -8.573 1.825 6.792 1.00 10.00 N ATOM 513 CA GLU A 39 -9.260 2.831 7.597 1.00 10.00 C ATOM 514 C GLU A 39 -8.317 3.955 7.999 1.00 10.00 C ATOM 515 O GLU A 39 -8.619 5.146 7.811 1.00 10.00 O ATOM 516 CB GLU A 39 -9.842 2.193 8.859 1.00 10.00 C ATOM 517 CG GLU A 39 -10.954 1.190 8.612 1.00 10.00 C ATOM 518 CD GLU A 39 -12.193 1.810 8.031 1.00 10.00 C ATOM 519 OE1 GLU A 39 -12.994 2.388 8.802 1.00 10.00 O ATOM 520 OE2 GLU A 39 -12.422 1.690 6.824 1.00 10.00 O ATOM 0 H GLU A 39 -8.638 0.879 7.167 1.00 10.00 H new ATOM 0 HA GLU A 39 -10.063 3.247 6.988 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.038 1.696 9.402 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -10.222 2.983 9.506 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.592 0.415 7.936 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -11.208 0.700 9.552 1.00 10.00 H new ATOM 527 N THR A 40 -7.169 3.581 8.502 1.00 10.00 N ATOM 528 CA THR A 40 -6.226 4.538 9.005 1.00 10.00 C ATOM 529 C THR A 40 -5.419 5.227 7.864 1.00 10.00 C ATOM 530 O THR A 40 -5.100 6.416 7.953 1.00 10.00 O ATOM 531 CB THR A 40 -5.272 3.845 9.990 1.00 10.00 C ATOM 532 OG1 THR A 40 -6.028 2.990 10.883 1.00 10.00 O ATOM 533 CG2 THR A 40 -4.553 4.875 10.811 1.00 10.00 C ATOM 0 H THR A 40 -6.865 2.610 8.573 1.00 10.00 H new ATOM 0 HA THR A 40 -6.784 5.322 9.517 1.00 10.00 H new ATOM 0 HB THR A 40 -4.553 3.252 9.424 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.143 2.108 10.472 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.878 4.378 11.508 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.980 5.529 10.154 1.00 10.00 H new ATOM 0 HG23 THR A 40 -5.279 5.467 11.369 1.00 10.00 H new ATOM 541 N SER A 41 -5.131 4.480 6.798 1.00 10.00 N ATOM 542 CA SER A 41 -4.334 4.965 5.670 1.00 10.00 C ATOM 543 C SER A 41 -4.951 6.203 5.059 1.00 10.00 C ATOM 544 O SER A 41 -4.264 7.198 4.881 1.00 10.00 O ATOM 545 CB SER A 41 -4.155 3.867 4.605 1.00 10.00 C ATOM 546 OG SER A 41 -3.291 4.271 3.562 1.00 10.00 O ATOM 0 H SER A 41 -5.446 3.516 6.692 1.00 10.00 H new ATOM 0 HA SER A 41 -3.349 5.231 6.053 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.758 2.968 5.076 1.00 10.00 H new ATOM 0 HB3 SER A 41 -5.128 3.605 4.188 1.00 10.00 H new ATOM 0 HG SER A 41 -3.635 3.941 2.706 1.00 10.00 H new ATOM 552 N GLN A 42 -6.260 6.149 4.802 1.00 10.00 N ATOM 553 CA GLN A 42 -7.002 7.275 4.200 1.00 10.00 C ATOM 554 C GLN A 42 -6.876 8.499 5.021 1.00 10.00 C ATOM 555 O GLN A 42 -6.632 9.575 4.520 1.00 10.00 O ATOM 556 CB GLN A 42 -8.448 6.930 4.086 1.00 10.00 C ATOM 557 CG GLN A 42 -8.692 5.843 3.111 1.00 10.00 C ATOM 558 CD GLN A 42 -9.939 5.081 3.390 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.592 4.587 2.479 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.278 4.937 4.638 1.00 10.00 N ATOM 0 H GLN A 42 -6.838 5.333 5.001 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.577 7.460 3.214 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.826 6.630 5.063 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -9.008 7.816 3.787 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.749 6.267 2.109 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.844 5.158 3.119 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.712 5.362 5.373 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.110 4.399 4.882 1.00 10.00 H new ATOM 569 N ALA A 43 -6.978 8.308 6.289 1.00 10.00 N ATOM 570 CA ALA A 43 -6.953 9.371 7.229 1.00 10.00 C ATOM 571 C ALA A 43 -5.557 9.989 7.337 1.00 10.00 C ATOM 572 O ALA A 43 -5.393 11.085 7.847 1.00 10.00 O ATOM 573 CB ALA A 43 -7.466 8.846 8.545 1.00 10.00 C ATOM 0 H ALA A 43 -7.084 7.385 6.711 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.601 10.183 6.899 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.456 9.646 9.285 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.485 8.481 8.419 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.828 8.030 8.885 1.00 10.00 H new ATOM 579 N HIS A 44 -4.563 9.275 6.877 1.00 10.00 N ATOM 580 CA HIS A 44 -3.208 9.787 6.834 1.00 10.00 C ATOM 581 C HIS A 44 -2.916 10.368 5.454 1.00 10.00 C ATOM 582 O HIS A 44 -2.346 11.442 5.347 1.00 10.00 O ATOM 583 CB HIS A 44 -2.220 8.685 7.152 1.00 10.00 C ATOM 584 CG HIS A 44 -0.776 9.101 7.335 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.263 8.249 7.069 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.203 10.236 7.825 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.396 8.821 7.393 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.149 10.013 7.848 1.00 10.00 N ATOM 0 H HIS A 44 -4.664 8.324 6.521 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.106 10.574 7.581 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.549 8.185 8.063 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.263 7.947 6.351 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.714 11.135 8.135 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.375 8.375 7.298 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.851 10.678 8.172 1.00 10.00 H new ATOM 597 N ASN A 45 -3.324 9.663 4.393 1.00 10.00 N ATOM 598 CA ASN A 45 -3.037 10.126 3.039 1.00 10.00 C ATOM 599 C ASN A 45 -3.867 11.331 2.685 1.00 10.00 C ATOM 600 O ASN A 45 -3.434 12.148 1.913 1.00 10.00 O ATOM 601 CB ASN A 45 -3.134 9.031 1.936 1.00 10.00 C ATOM 602 CG ASN A 45 -4.536 8.582 1.574 1.00 10.00 C ATOM 603 OD1 ASN A 45 -5.043 7.653 2.130 1.00 10.00 O ATOM 604 ND2 ASN A 45 -5.137 9.214 0.600 1.00 10.00 N ATOM 0 H ASN A 45 -3.844 8.787 4.447 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.985 10.411 3.059 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -2.649 9.406 1.035 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -2.567 8.160 2.264 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -6.064 8.918 0.295 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -4.679 10.003 0.145 1.00 10.00 H new ATOM 611 N ALA A 46 -5.053 11.455 3.270 1.00 10.00 N ATOM 612 CA ALA A 46 -5.866 12.656 3.079 1.00 10.00 C ATOM 613 C ALA A 46 -5.112 13.837 3.646 1.00 10.00 C ATOM 614 O ALA A 46 -4.992 14.883 3.010 1.00 10.00 O ATOM 615 CB ALA A 46 -7.200 12.529 3.788 1.00 10.00 C ATOM 0 H ALA A 46 -5.472 10.748 3.875 1.00 10.00 H new ATOM 0 HA ALA A 46 -6.057 12.791 2.014 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.784 13.436 3.629 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.744 11.673 3.389 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.033 12.387 4.856 1.00 10.00 H new ATOM 621 N ARG A 47 -4.555 13.629 4.826 1.00 10.00 N ATOM 622 CA ARG A 47 -3.776 14.639 5.502 1.00 10.00 C ATOM 623 C ARG A 47 -2.524 14.948 4.730 1.00 10.00 C ATOM 624 O ARG A 47 -2.183 16.114 4.506 1.00 10.00 O ATOM 625 CB ARG A 47 -3.389 14.177 6.895 1.00 10.00 C ATOM 626 CG ARG A 47 -2.607 15.204 7.711 1.00 10.00 C ATOM 627 CD ARG A 47 -3.416 16.454 8.009 1.00 10.00 C ATOM 628 NE ARG A 47 -4.543 16.208 8.920 1.00 10.00 N ATOM 629 CZ ARG A 47 -5.517 17.099 9.175 1.00 10.00 C ATOM 630 NH1 ARG A 47 -5.599 18.218 8.470 1.00 10.00 N ATOM 631 NH2 ARG A 47 -6.408 16.849 10.122 1.00 10.00 N ATOM 0 H ARG A 47 -4.633 12.751 5.340 1.00 10.00 H new ATOM 0 HA ARG A 47 -4.392 15.536 5.574 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -4.295 13.912 7.441 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -2.792 13.269 6.810 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -2.288 14.750 8.649 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.703 15.482 7.168 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.761 17.208 8.446 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -3.796 16.865 7.074 1.00 10.00 H new ATOM 0 HE ARG A 47 -4.589 15.303 9.389 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -4.922 18.406 7.731 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -6.339 18.891 8.666 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -6.355 15.982 10.656 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -7.148 17.524 10.317 1.00 10.00 H new ATOM 645 N ALA A 48 -1.836 13.921 4.327 1.00 10.00 N ATOM 646 CA ALA A 48 -0.599 14.118 3.660 1.00 10.00 C ATOM 647 C ALA A 48 -0.762 14.497 2.167 1.00 10.00 C ATOM 648 O ALA A 48 0.221 14.815 1.488 1.00 10.00 O ATOM 649 CB ALA A 48 0.303 12.932 3.864 1.00 10.00 C ATOM 0 H ALA A 48 -2.114 12.947 4.451 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.120 14.985 4.115 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.247 13.100 3.346 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.492 12.798 4.929 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.176 12.038 3.465 1.00 10.00 H new ATOM 655 N GLN A 49 -2.027 14.493 1.684 1.00 10.00 N ATOM 656 CA GLN A 49 -2.409 14.852 0.278 1.00 10.00 C ATOM 657 C GLN A 49 -1.935 13.793 -0.693 1.00 10.00 C ATOM 658 O GLN A 49 -1.846 14.006 -1.903 1.00 10.00 O ATOM 659 CB GLN A 49 -1.877 16.228 -0.100 1.00 10.00 C ATOM 660 CG GLN A 49 -2.351 17.285 0.804 1.00 10.00 C ATOM 661 CD GLN A 49 -1.211 18.091 1.379 1.00 10.00 C ATOM 662 OE1 GLN A 49 -0.781 19.095 0.819 1.00 10.00 O ATOM 663 NE2 GLN A 49 -0.738 17.666 2.513 1.00 10.00 N ATOM 0 H GLN A 49 -2.829 14.238 2.260 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.497 14.894 0.222 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.787 16.208 -0.089 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.181 16.464 -1.120 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.027 17.948 0.264 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.924 16.837 1.616 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.125 16.826 2.944 1.00 10.00 H new ATOM 0 HE22 GLN A 49 0.020 18.172 2.971 1.00 10.00 H new ATOM 672 N LEU A 50 -1.691 12.659 -0.148 1.00 10.00 N ATOM 673 CA LEU A 50 -1.222 11.500 -0.858 1.00 10.00 C ATOM 674 C LEU A 50 -2.332 10.780 -1.585 1.00 10.00 C ATOM 675 O LEU A 50 -3.442 10.637 -1.072 1.00 10.00 O ATOM 676 CB LEU A 50 -0.537 10.552 0.102 1.00 10.00 C ATOM 677 CG LEU A 50 0.961 10.713 0.267 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.363 12.114 0.632 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.482 9.741 1.270 1.00 10.00 C ATOM 0 H LEU A 50 -1.815 12.493 0.851 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.514 11.846 -1.611 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.001 10.666 1.082 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.735 9.532 -0.228 1.00 10.00 H new ATOM 0 HG LEU A 50 1.408 10.503 -0.705 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.447 12.166 0.736 1.00 10.00 H new ATOM 0 HD12 LEU A 50 1.040 12.801 -0.151 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.894 12.393 1.576 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.559 9.870 1.376 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.999 9.916 2.231 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.269 8.725 0.937 1.00 10.00 H new ATOM 691 N THR A 51 -2.030 10.360 -2.784 1.00 10.00 N ATOM 692 CA THR A 51 -2.934 9.647 -3.628 1.00 10.00 C ATOM 693 C THR A 51 -2.322 8.277 -3.944 1.00 10.00 C ATOM 694 O THR A 51 -1.114 8.136 -3.919 1.00 10.00 O ATOM 695 CB THR A 51 -3.245 10.519 -4.853 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.048 10.851 -5.536 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.835 11.805 -4.344 1.00 10.00 C ATOM 0 H THR A 51 -1.115 10.513 -3.209 1.00 10.00 H new ATOM 0 HA THR A 51 -3.893 9.446 -3.151 1.00 10.00 H new ATOM 0 HB THR A 51 -3.917 9.984 -5.524 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.136 10.617 -6.483 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.071 12.455 -5.186 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.746 11.591 -3.784 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.117 12.302 -3.692 1.00 10.00 H new ATOM 705 N GLY A 52 -3.132 7.273 -4.158 1.00 10.00 N ATOM 706 CA GLY A 52 -2.606 5.926 -4.142 1.00 10.00 C ATOM 707 C GLY A 52 -3.536 4.880 -4.674 1.00 10.00 C ATOM 708 O GLY A 52 -4.649 5.169 -5.123 1.00 10.00 O ATOM 0 H GLY A 52 -4.132 7.353 -4.341 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.686 5.904 -4.726 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.340 5.668 -3.117 1.00 10.00 H new ATOM 712 N ALA A 53 -3.057 3.682 -4.678 1.00 10.00 N ATOM 713 CA ALA A 53 -3.835 2.501 -5.023 1.00 10.00 C ATOM 714 C ALA A 53 -3.094 1.264 -4.560 1.00 10.00 C ATOM 715 O ALA A 53 -1.922 1.354 -4.162 1.00 10.00 O ATOM 716 CB ALA A 53 -4.210 2.432 -6.503 1.00 10.00 C ATOM 0 H ALA A 53 -2.088 3.473 -4.437 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.790 2.563 -4.501 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.788 1.527 -6.690 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.806 3.305 -6.768 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.303 2.414 -7.108 1.00 10.00 H new ATOM 722 N LEU A 54 -3.745 0.131 -4.615 1.00 10.00 N ATOM 723 CA LEU A 54 -3.187 -1.083 -4.088 1.00 10.00 C ATOM 724 C LEU A 54 -3.469 -2.251 -5.022 1.00 10.00 C ATOM 725 O LEU A 54 -4.503 -2.287 -5.690 1.00 10.00 O ATOM 726 CB LEU A 54 -3.778 -1.290 -2.650 1.00 10.00 C ATOM 727 CG LEU A 54 -3.508 -2.595 -1.844 1.00 10.00 C ATOM 728 CD1 LEU A 54 -4.347 -3.761 -2.333 1.00 10.00 C ATOM 729 CD2 LEU A 54 -2.040 -2.960 -1.838 1.00 10.00 C ATOM 0 H LEU A 54 -4.673 0.026 -5.025 1.00 10.00 H new ATOM 0 HA LEU A 54 -2.101 -1.021 -4.015 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -3.424 -0.460 -2.039 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -4.860 -1.186 -2.733 1.00 10.00 H new ATOM 0 HG LEU A 54 -3.808 -2.384 -0.818 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.121 -4.646 -1.739 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -5.404 -3.516 -2.232 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -4.119 -3.959 -3.380 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -1.895 -3.876 -1.265 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -1.699 -3.115 -2.862 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -1.466 -2.153 -1.383 1.00 10.00 H new ATOM 741 N PHE A 55 -2.512 -3.151 -5.112 1.00 10.00 N ATOM 742 CA PHE A 55 -2.649 -4.405 -5.810 1.00 10.00 C ATOM 743 C PHE A 55 -2.112 -5.514 -4.897 1.00 10.00 C ATOM 744 O PHE A 55 -0.917 -5.600 -4.645 1.00 10.00 O ATOM 745 CB PHE A 55 -1.882 -4.398 -7.153 1.00 10.00 C ATOM 746 CG PHE A 55 -2.427 -3.452 -8.204 1.00 10.00 C ATOM 747 CD1 PHE A 55 -2.016 -2.130 -8.263 1.00 10.00 C ATOM 748 CD2 PHE A 55 -3.344 -3.900 -9.139 1.00 10.00 C ATOM 749 CE1 PHE A 55 -2.510 -1.276 -9.230 1.00 10.00 C ATOM 750 CE2 PHE A 55 -3.841 -3.052 -10.108 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.424 -1.739 -10.155 1.00 10.00 C ATOM 0 H PHE A 55 -1.593 -3.023 -4.688 1.00 10.00 H new ATOM 0 HA PHE A 55 -3.700 -4.574 -6.046 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -0.842 -4.137 -6.957 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -1.886 -5.409 -7.560 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -1.300 -1.762 -7.543 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -3.675 -4.928 -9.110 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -2.182 -0.248 -9.262 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -4.557 -3.417 -10.830 1.00 10.00 H new ATOM 0 HZ PHE A 55 -3.811 -1.075 -10.913 1.00 10.00 H new ATOM 761 N TYR A 56 -2.991 -6.305 -4.362 1.00 10.00 N ATOM 762 CA TYR A 56 -2.625 -7.404 -3.493 1.00 10.00 C ATOM 763 C TYR A 56 -3.109 -8.678 -4.157 1.00 10.00 C ATOM 764 O TYR A 56 -4.307 -8.948 -4.202 1.00 10.00 O ATOM 765 CB TYR A 56 -3.257 -7.200 -2.068 1.00 10.00 C ATOM 766 CG TYR A 56 -2.994 -8.282 -0.992 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.144 -9.648 -1.244 1.00 10.00 C ATOM 768 CD2 TYR A 56 -2.629 -7.912 0.293 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.932 -10.593 -0.264 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.412 -8.855 1.282 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.564 -10.196 0.994 1.00 10.00 C ATOM 772 OH TYR A 56 -2.343 -11.147 1.976 1.00 10.00 O ATOM 0 H TYR A 56 -3.996 -6.213 -4.512 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.546 -7.458 -3.347 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -2.899 -6.247 -1.678 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.336 -7.108 -2.192 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.434 -9.972 -2.233 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -2.511 -6.864 0.527 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -3.056 -11.642 -0.487 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.125 -8.543 2.275 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.088 -10.702 2.811 1.00 10.00 H new ATOM 782 N SER A 57 -2.204 -9.447 -4.681 1.00 10.00 N ATOM 783 CA SER A 57 -2.571 -10.624 -5.361 1.00 10.00 C ATOM 784 C SER A 57 -2.088 -11.861 -4.625 1.00 10.00 C ATOM 785 O SER A 57 -0.924 -12.259 -4.728 1.00 10.00 O ATOM 786 CB SER A 57 -2.114 -10.558 -6.814 1.00 10.00 C ATOM 787 OG SER A 57 -0.757 -10.165 -6.908 1.00 10.00 O ATOM 0 H SER A 57 -1.201 -9.267 -4.643 1.00 10.00 H new ATOM 0 HA SER A 57 -3.658 -10.704 -5.379 1.00 10.00 H new ATOM 0 HB2 SER A 57 -2.246 -11.533 -7.284 1.00 10.00 H new ATOM 0 HB3 SER A 57 -2.738 -9.852 -7.362 1.00 10.00 H new ATOM 0 HG SER A 57 -0.490 -10.133 -7.850 1.00 10.00 H new ATOM 793 N GLN A 58 -2.981 -12.353 -3.761 1.00 10.00 N ATOM 794 CA GLN A 58 -2.890 -13.611 -2.977 1.00 10.00 C ATOM 795 C GLN A 58 -1.715 -13.721 -1.978 1.00 10.00 C ATOM 796 O GLN A 58 -1.720 -14.600 -1.117 1.00 10.00 O ATOM 797 CB GLN A 58 -3.009 -14.863 -3.873 1.00 10.00 C ATOM 798 CG GLN A 58 -1.785 -15.245 -4.708 1.00 10.00 C ATOM 799 CD GLN A 58 -2.031 -16.488 -5.546 1.00 10.00 C ATOM 800 OE1 GLN A 58 -3.158 -16.772 -5.960 1.00 10.00 O ATOM 801 NE2 GLN A 58 -1.007 -17.247 -5.787 1.00 10.00 N ATOM 0 H GLN A 58 -3.851 -11.856 -3.570 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.764 -13.562 -2.327 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -3.262 -15.711 -3.236 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -3.848 -14.713 -4.553 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -1.519 -14.414 -5.362 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -0.935 -15.416 -4.047 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -0.086 -16.989 -5.433 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -1.123 -18.102 -6.331 1.00 10.00 H new ATOM 810 N GLY A 59 -0.737 -12.854 -2.082 1.00 10.00 N ATOM 811 CA GLY A 59 0.380 -12.886 -1.166 1.00 10.00 C ATOM 812 C GLY A 59 1.372 -11.815 -1.475 1.00 10.00 C ATOM 813 O GLY A 59 2.008 -11.280 -0.587 1.00 10.00 O ATOM 0 H GLY A 59 -0.691 -12.120 -2.789 1.00 10.00 H new ATOM 0 HA2 GLY A 59 0.018 -12.764 -0.145 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.867 -13.860 -1.218 1.00 10.00 H new ATOM 817 N VAL A 60 1.517 -11.491 -2.727 1.00 10.00 N ATOM 818 CA VAL A 60 2.424 -10.445 -3.081 1.00 10.00 C ATOM 819 C VAL A 60 1.726 -9.097 -3.009 1.00 10.00 C ATOM 820 O VAL A 60 0.630 -8.897 -3.562 1.00 10.00 O ATOM 821 CB VAL A 60 3.135 -10.663 -4.449 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.966 -11.933 -4.415 1.00 10.00 C ATOM 823 CG2 VAL A 60 2.152 -10.719 -5.602 1.00 10.00 C ATOM 0 H VAL A 60 1.027 -11.929 -3.507 1.00 10.00 H new ATOM 0 HA VAL A 60 3.228 -10.464 -2.345 1.00 10.00 H new ATOM 0 HB VAL A 60 3.787 -9.805 -4.613 1.00 10.00 H new ATOM 0 HG11 VAL A 60 4.457 -12.072 -5.378 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.720 -11.854 -3.631 1.00 10.00 H new ATOM 0 HG13 VAL A 60 3.319 -12.786 -4.211 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.694 -10.872 -6.535 1.00 10.00 H new ATOM 0 HG22 VAL A 60 1.456 -11.543 -5.447 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.598 -9.782 -5.654 1.00 10.00 H new ATOM 833 N PHE A 61 2.308 -8.229 -2.241 1.00 10.00 N ATOM 834 CA PHE A 61 1.804 -6.890 -2.055 1.00 10.00 C ATOM 835 C PHE A 61 2.455 -5.923 -3.033 1.00 10.00 C ATOM 836 O PHE A 61 3.689 -5.849 -3.103 1.00 10.00 O ATOM 837 CB PHE A 61 2.232 -6.426 -0.701 1.00 10.00 C ATOM 838 CG PHE A 61 1.184 -6.098 0.283 1.00 10.00 C ATOM 839 CD1 PHE A 61 0.080 -5.334 -0.046 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.340 -6.516 1.570 1.00 10.00 C ATOM 841 CE1 PHE A 61 -0.837 -5.010 0.921 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.445 -6.188 2.532 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.639 -5.439 2.211 1.00 10.00 C ATOM 0 H PHE A 61 3.159 -8.427 -1.715 1.00 10.00 H new ATOM 0 HA PHE A 61 0.723 -6.908 -2.192 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.866 -7.200 -0.268 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.855 -5.541 -0.833 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.060 -4.993 -1.061 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.196 -7.122 1.829 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.708 -4.422 0.670 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.594 -6.521 3.549 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.354 -5.177 2.977 1.00 10.00 H new ATOM 853 N PHE A 62 1.666 -5.194 -3.753 1.00 10.00 N ATOM 854 CA PHE A 62 2.161 -4.092 -4.531 1.00 10.00 C ATOM 855 C PHE A 62 1.349 -2.868 -4.139 1.00 10.00 C ATOM 856 O PHE A 62 0.136 -2.818 -4.347 1.00 10.00 O ATOM 857 CB PHE A 62 2.022 -4.384 -6.027 1.00 10.00 C ATOM 858 CG PHE A 62 2.484 -3.270 -6.922 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.815 -3.165 -7.274 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.588 -2.330 -7.411 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.242 -2.151 -8.098 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.011 -1.314 -8.235 1.00 10.00 C ATOM 863 CZ PHE A 62 3.339 -1.227 -8.578 1.00 10.00 C ATOM 0 H PHE A 62 0.659 -5.341 -3.822 1.00 10.00 H new ATOM 0 HA PHE A 62 3.220 -3.925 -4.336 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.591 -5.283 -6.264 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.977 -4.601 -6.247 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.527 -3.886 -6.899 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.545 -2.397 -7.141 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.285 -2.078 -8.369 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.304 -0.589 -8.610 1.00 10.00 H new ATOM 0 HZ PHE A 62 3.676 -0.432 -9.226 1.00 10.00 H new ATOM 873 N GLN A 63 1.991 -1.907 -3.551 1.00 10.00 N ATOM 874 CA GLN A 63 1.301 -0.732 -3.077 1.00 10.00 C ATOM 875 C GLN A 63 2.178 0.457 -3.369 1.00 10.00 C ATOM 876 O GLN A 63 3.394 0.384 -3.141 1.00 10.00 O ATOM 877 CB GLN A 63 1.059 -0.893 -1.555 1.00 10.00 C ATOM 878 CG GLN A 63 -0.085 -0.063 -0.942 1.00 10.00 C ATOM 879 CD GLN A 63 0.144 1.436 -0.830 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.790 2.203 -0.885 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.371 1.862 -0.648 1.00 10.00 N ATOM 0 H GLN A 63 2.997 -1.907 -3.384 1.00 10.00 H new ATOM 0 HA GLN A 63 0.337 -0.595 -3.567 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.862 -1.946 -1.352 1.00 10.00 H new ATOM 0 HB3 GLN A 63 1.982 -0.636 -1.035 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.982 -0.227 -1.539 1.00 10.00 H new ATOM 0 HG3 GLN A 63 -0.291 -0.451 0.055 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.141 1.195 -0.605 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.555 2.860 -0.549 1.00 10.00 H new ATOM 890 N TRP A 64 1.617 1.529 -3.852 1.00 10.00 N ATOM 891 CA TRP A 64 2.411 2.689 -4.086 1.00 10.00 C ATOM 892 C TRP A 64 1.624 3.929 -3.735 1.00 10.00 C ATOM 893 O TRP A 64 0.394 3.879 -3.607 1.00 10.00 O ATOM 894 CB TRP A 64 2.942 2.745 -5.519 1.00 10.00 C ATOM 895 CG TRP A 64 2.082 3.296 -6.584 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.361 4.412 -7.310 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.836 2.805 -7.064 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.396 4.628 -8.223 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.439 3.667 -8.100 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.024 1.726 -6.737 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.729 3.484 -8.803 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.144 1.554 -7.434 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.509 2.428 -8.462 1.00 10.00 C ATOM 0 H TRP A 64 0.628 1.619 -4.087 1.00 10.00 H new ATOM 0 HA TRP A 64 3.287 2.637 -3.439 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.862 3.329 -5.505 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.213 1.730 -5.808 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.232 5.035 -7.173 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.383 5.391 -8.900 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.306 1.039 -5.953 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -1.015 4.157 -9.598 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.794 0.728 -7.184 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.432 2.259 -8.996 1.00 10.00 H new ATOM 914 N LEU A 65 2.313 5.024 -3.594 1.00 10.00 N ATOM 915 CA LEU A 65 1.702 6.249 -3.171 1.00 10.00 C ATOM 916 C LEU A 65 2.335 7.455 -3.844 1.00 10.00 C ATOM 917 O LEU A 65 3.562 7.509 -4.028 1.00 10.00 O ATOM 918 CB LEU A 65 1.768 6.397 -1.639 1.00 10.00 C ATOM 919 CG LEU A 65 3.156 6.254 -0.993 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.142 6.882 0.361 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.575 4.792 -0.836 1.00 10.00 C ATOM 0 H LEU A 65 3.315 5.092 -3.769 1.00 10.00 H new ATOM 0 HA LEU A 65 0.656 6.208 -3.474 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.368 7.376 -1.374 1.00 10.00 H new ATOM 0 HB3 LEU A 65 1.107 5.652 -1.196 1.00 10.00 H new ATOM 0 HG LEU A 65 3.869 6.749 -1.652 1.00 10.00 H new ATOM 0 HD11 LEU A 65 4.126 6.781 0.819 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.891 7.939 0.269 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.399 6.386 0.985 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.562 4.744 -0.375 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.854 4.273 -0.205 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.608 4.316 -1.816 1.00 10.00 H new ATOM 933 N GLU A 66 1.501 8.389 -4.226 1.00 10.00 N ATOM 934 CA GLU A 66 1.910 9.636 -4.812 1.00 10.00 C ATOM 935 C GLU A 66 1.789 10.707 -3.723 1.00 10.00 C ATOM 936 O GLU A 66 0.710 10.891 -3.158 1.00 10.00 O ATOM 937 CB GLU A 66 0.923 10.055 -5.903 1.00 10.00 C ATOM 938 CG GLU A 66 0.532 9.062 -6.983 1.00 10.00 C ATOM 939 CD GLU A 66 -0.549 9.687 -7.876 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.225 10.565 -8.695 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.757 9.360 -7.721 1.00 10.00 O ATOM 0 H GLU A 66 0.489 8.298 -4.134 1.00 10.00 H new ATOM 0 HA GLU A 66 2.917 9.531 -5.216 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.006 10.376 -5.408 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.340 10.931 -6.401 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.404 8.794 -7.580 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.160 8.142 -6.531 1.00 10.00 H new ATOM 948 N GLY A 67 2.841 11.408 -3.439 1.00 10.00 N ATOM 949 CA GLY A 67 2.767 12.447 -2.448 1.00 10.00 C ATOM 950 C GLY A 67 3.996 13.318 -2.471 1.00 10.00 C ATOM 951 O GLY A 67 4.898 13.048 -3.229 1.00 10.00 O ATOM 0 H GLY A 67 3.756 11.286 -3.872 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.882 13.059 -2.626 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.653 12.002 -1.460 1.00 10.00 H new ATOM 955 N HIS A 68 4.022 14.368 -1.674 1.00 10.00 N ATOM 956 CA HIS A 68 5.231 15.190 -1.522 1.00 10.00 C ATOM 957 C HIS A 68 6.288 14.359 -0.764 1.00 10.00 C ATOM 958 O HIS A 68 5.984 13.858 0.285 1.00 10.00 O ATOM 959 CB HIS A 68 4.897 16.491 -0.750 1.00 10.00 C ATOM 960 CG HIS A 68 6.072 17.268 -0.321 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.672 17.126 0.910 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.762 18.147 -0.975 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.715 17.903 0.974 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.799 18.551 -0.170 1.00 10.00 N ATOM 0 H HIS A 68 3.226 14.681 -1.118 1.00 10.00 H new ATOM 0 HA HIS A 68 5.621 15.474 -2.499 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.271 17.122 -1.381 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.306 16.235 0.130 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.558 18.500 -1.975 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.389 17.999 1.813 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.513 19.236 -0.416 1.00 10.00 H new ATOM 973 N PRO A 69 7.544 14.251 -1.290 1.00 10.00 N ATOM 974 CA PRO A 69 8.621 13.350 -0.797 1.00 10.00 C ATOM 975 C PRO A 69 8.659 13.065 0.708 1.00 10.00 C ATOM 976 O PRO A 69 8.664 11.900 1.114 1.00 10.00 O ATOM 977 CB PRO A 69 9.915 14.027 -1.265 1.00 10.00 C ATOM 978 CG PRO A 69 9.480 15.239 -2.034 1.00 10.00 C ATOM 979 CD PRO A 69 8.053 15.014 -2.416 1.00 10.00 C ATOM 0 HA PRO A 69 8.453 12.351 -1.198 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.541 14.305 -0.417 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.504 13.356 -1.890 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.581 16.139 -1.428 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.100 15.379 -2.919 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.515 15.953 -2.547 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.965 14.463 -3.353 1.00 10.00 H new ATOM 987 N ALA A 70 8.681 14.083 1.527 1.00 10.00 N ATOM 988 CA ALA A 70 8.750 13.863 2.962 1.00 10.00 C ATOM 989 C ALA A 70 7.502 13.285 3.543 1.00 10.00 C ATOM 990 O ALA A 70 7.564 12.576 4.532 1.00 10.00 O ATOM 991 CB ALA A 70 9.174 15.077 3.707 1.00 10.00 C ATOM 0 H ALA A 70 8.653 15.061 1.239 1.00 10.00 H new ATOM 0 HA ALA A 70 9.527 13.108 3.088 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.208 14.856 4.774 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.163 15.385 3.368 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.462 15.882 3.526 1.00 10.00 H new ATOM 997 N ALA A 71 6.401 13.554 2.940 1.00 10.00 N ATOM 998 CA ALA A 71 5.156 12.993 3.378 1.00 10.00 C ATOM 999 C ALA A 71 5.213 11.518 3.155 1.00 10.00 C ATOM 1000 O ALA A 71 4.913 10.726 4.037 1.00 10.00 O ATOM 1001 CB ALA A 71 4.048 13.546 2.566 1.00 10.00 C ATOM 0 H ALA A 71 6.328 14.168 2.129 1.00 10.00 H new ATOM 0 HA ALA A 71 4.990 13.227 4.430 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.103 13.118 2.901 1.00 10.00 H new ATOM 0 HB2 ALA A 71 4.017 14.629 2.682 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.207 13.298 1.517 1.00 10.00 H new ATOM 1007 N VAL A 72 5.681 11.186 1.969 1.00 10.00 N ATOM 1008 CA VAL A 72 5.830 9.830 1.496 1.00 10.00 C ATOM 1009 C VAL A 72 6.786 9.100 2.417 1.00 10.00 C ATOM 1010 O VAL A 72 6.578 7.959 2.746 1.00 10.00 O ATOM 1011 CB VAL A 72 6.441 9.797 0.067 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.091 8.561 -0.646 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.044 10.966 -0.753 1.00 10.00 C ATOM 0 H VAL A 72 5.978 11.881 1.285 1.00 10.00 H new ATOM 0 HA VAL A 72 4.845 9.364 1.479 1.00 10.00 H new ATOM 0 HB VAL A 72 7.521 9.835 0.210 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.537 8.576 -1.641 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.469 7.702 -0.092 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.007 8.487 -0.735 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.500 10.890 -1.740 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.959 10.987 -0.855 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.381 11.882 -0.268 1.00 10.00 H new ATOM 1023 N ALA A 73 7.833 9.788 2.825 1.00 10.00 N ATOM 1024 CA ALA A 73 8.833 9.216 3.705 1.00 10.00 C ATOM 1025 C ALA A 73 8.373 9.085 5.142 1.00 10.00 C ATOM 1026 O ALA A 73 8.783 8.175 5.837 1.00 10.00 O ATOM 1027 CB ALA A 73 10.068 10.002 3.676 1.00 10.00 C ATOM 0 H ALA A 73 8.015 10.755 2.558 1.00 10.00 H new ATOM 0 HA ALA A 73 9.011 8.211 3.322 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.802 9.552 4.345 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.465 10.019 2.661 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.858 11.021 4.001 1.00 10.00 H new ATOM 1033 N GLU A 74 7.579 10.016 5.595 1.00 10.00 N ATOM 1034 CA GLU A 74 6.981 9.963 6.934 1.00 10.00 C ATOM 1035 C GLU A 74 6.052 8.758 6.938 1.00 10.00 C ATOM 1036 O GLU A 74 5.965 8.005 7.914 1.00 10.00 O ATOM 1037 CB GLU A 74 6.269 11.322 7.191 1.00 10.00 C ATOM 1038 CG GLU A 74 5.792 11.638 8.608 1.00 10.00 C ATOM 1039 CD GLU A 74 4.541 10.920 9.018 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.474 11.168 8.407 1.00 10.00 O ATOM 1041 OE2 GLU A 74 4.580 10.161 9.982 1.00 10.00 O ATOM 0 H GLU A 74 7.317 10.842 5.057 1.00 10.00 H new ATOM 0 HA GLU A 74 7.699 9.835 7.744 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.950 12.116 6.886 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.403 11.373 6.531 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.587 11.386 9.310 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.623 12.712 8.690 1.00 10.00 H new ATOM 1048 N VAL A 75 5.431 8.548 5.798 1.00 10.00 N ATOM 1049 CA VAL A 75 4.687 7.369 5.539 1.00 10.00 C ATOM 1050 C VAL A 75 5.641 6.158 5.567 1.00 10.00 C ATOM 1051 O VAL A 75 5.455 5.282 6.395 1.00 10.00 O ATOM 1052 CB VAL A 75 3.938 7.476 4.185 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.343 6.176 3.782 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.844 8.508 4.268 1.00 10.00 C ATOM 0 H VAL A 75 5.439 9.211 5.023 1.00 10.00 H new ATOM 0 HA VAL A 75 3.929 7.237 6.311 1.00 10.00 H new ATOM 0 HB VAL A 75 4.673 7.771 3.436 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.827 6.292 2.829 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.132 5.431 3.679 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.633 5.850 4.542 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.329 8.570 3.309 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.133 8.223 5.044 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.277 9.478 4.511 1.00 10.00 H new ATOM 1064 N MET A 76 6.694 6.150 4.696 1.00 10.00 N ATOM 1065 CA MET A 76 7.703 5.080 4.654 1.00 10.00 C ATOM 1066 C MET A 76 8.203 4.724 6.029 1.00 10.00 C ATOM 1067 O MET A 76 8.154 3.595 6.392 1.00 10.00 O ATOM 1068 CB MET A 76 8.900 5.501 3.809 1.00 10.00 C ATOM 1069 CG MET A 76 8.640 5.785 2.335 1.00 10.00 C ATOM 1070 SD MET A 76 8.528 4.349 1.249 1.00 10.00 S ATOM 1071 CE MET A 76 7.068 3.543 1.834 1.00 10.00 C ATOM 0 H MET A 76 6.855 6.889 4.011 1.00 10.00 H new ATOM 0 HA MET A 76 7.214 4.211 4.215 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.332 6.397 4.256 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.654 4.717 3.875 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.710 6.348 2.254 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.436 6.431 1.966 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.561 3.058 1.000 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.339 2.795 2.579 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.402 4.279 2.285 1.00 10.00 H new ATOM 1081 N SER A 77 8.620 5.706 6.797 1.00 10.00 N ATOM 1082 CA SER A 77 9.148 5.491 8.145 1.00 10.00 C ATOM 1083 C SER A 77 8.158 4.722 9.041 1.00 10.00 C ATOM 1084 O SER A 77 8.559 3.876 9.855 1.00 10.00 O ATOM 1085 CB SER A 77 9.540 6.825 8.757 1.00 10.00 C ATOM 1086 OG SER A 77 10.476 7.513 7.923 1.00 10.00 O ATOM 0 H SER A 77 8.606 6.685 6.511 1.00 10.00 H new ATOM 0 HA SER A 77 10.036 4.864 8.069 1.00 10.00 H new ATOM 0 HB2 SER A 77 8.651 7.440 8.898 1.00 10.00 H new ATOM 0 HB3 SER A 77 9.975 6.663 9.743 1.00 10.00 H new ATOM 0 HG SER A 77 10.017 7.851 7.126 1.00 10.00 H new ATOM 1092 N HIS A 78 6.870 4.993 8.889 1.00 10.00 N ATOM 1093 CA HIS A 78 5.868 4.185 9.623 1.00 10.00 C ATOM 1094 C HIS A 78 5.794 2.763 9.093 1.00 10.00 C ATOM 1095 O HIS A 78 5.752 1.800 9.856 1.00 10.00 O ATOM 1096 CB HIS A 78 4.453 4.770 9.579 1.00 10.00 C ATOM 1097 CG HIS A 78 4.241 5.977 10.402 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.368 6.000 11.771 1.00 10.00 N ATOM 1099 CD2 HIS A 78 3.908 7.211 10.045 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.128 7.206 12.205 1.00 10.00 C ATOM 1101 NE2 HIS A 78 3.842 7.964 11.171 1.00 10.00 N ATOM 0 H HIS A 78 6.491 5.730 8.295 1.00 10.00 H new ATOM 0 HA HIS A 78 6.218 4.195 10.655 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.209 5.009 8.544 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.750 4.002 9.903 1.00 10.00 H new ATOM 0 HD2 HIS A 78 3.723 7.554 9.038 1.00 10.00 H new ATOM 0 HE1 HIS A 78 4.159 7.526 13.236 1.00 10.00 H new ATOM 0 HE2 HIS A 78 3.609 8.956 11.209 1.00 10.00 H new ATOM 1110 N ILE A 79 5.826 2.634 7.791 1.00 10.00 N ATOM 1111 CA ILE A 79 5.568 1.352 7.158 1.00 10.00 C ATOM 1112 C ILE A 79 6.824 0.492 7.041 1.00 10.00 C ATOM 1113 O ILE A 79 6.731 -0.735 6.855 1.00 10.00 O ATOM 1114 CB ILE A 79 4.938 1.500 5.753 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.183 2.787 5.566 1.00 10.00 C ATOM 1116 CG2 ILE A 79 3.924 0.433 5.582 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.584 2.905 4.170 1.00 10.00 C ATOM 0 H ILE A 79 6.027 3.396 7.143 1.00 10.00 H new ATOM 0 HA ILE A 79 4.857 0.854 7.817 1.00 10.00 H new ATOM 0 HB ILE A 79 5.765 1.457 5.044 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.387 2.850 6.308 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.853 3.628 5.745 1.00 10.00 H new ATOM 0 HG21 ILE A 79 3.467 0.520 4.596 1.00 10.00 H new ATOM 0 HG22 ILE A 79 4.402 -0.542 5.676 1.00 10.00 H new ATOM 0 HG23 ILE A 79 3.156 0.535 6.348 1.00 10.00 H new ATOM 0 HD11 ILE A 79 3.049 3.850 4.083 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.381 2.870 3.428 1.00 10.00 H new ATOM 0 HD13 ILE A 79 2.893 2.080 4.000 1.00 10.00 H new ATOM 1129 N GLN A 80 7.980 1.115 7.101 1.00 10.00 N ATOM 1130 CA GLN A 80 9.232 0.397 7.018 1.00 10.00 C ATOM 1131 C GLN A 80 9.526 -0.368 8.257 1.00 10.00 C ATOM 1132 O GLN A 80 10.260 -1.338 8.233 1.00 10.00 O ATOM 1133 CB GLN A 80 10.400 1.267 6.538 1.00 10.00 C ATOM 1134 CG GLN A 80 10.227 1.716 5.089 1.00 10.00 C ATOM 1135 CD GLN A 80 9.797 0.603 4.238 1.00 10.00 C ATOM 1136 OE1 GLN A 80 10.602 -0.150 3.713 1.00 10.00 O ATOM 1137 NE2 GLN A 80 8.519 0.515 4.054 1.00 10.00 N ATOM 0 H GLN A 80 8.079 2.125 7.208 1.00 10.00 H new ATOM 0 HA GLN A 80 9.105 -0.348 6.233 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.486 2.143 7.180 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.331 0.708 6.635 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.493 2.520 5.040 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.168 2.120 4.716 1.00 10.00 H new ATOM 0 HE21 GLN A 80 7.891 1.171 4.518 1.00 10.00 H new ATOM 0 HE22 GLN A 80 8.140 -0.210 3.445 1.00 10.00 H new ATOM 1146 N ARG A 81 8.898 0.007 9.342 1.00 10.00 N ATOM 1147 CA ARG A 81 8.976 -0.780 10.545 1.00 10.00 C ATOM 1148 C ARG A 81 7.885 -1.863 10.525 1.00 10.00 C ATOM 1149 O ARG A 81 7.151 -2.084 11.482 1.00 10.00 O ATOM 1150 CB ARG A 81 8.991 0.106 11.790 1.00 10.00 C ATOM 1151 CG ARG A 81 10.246 0.947 11.808 1.00 10.00 C ATOM 1152 CD ARG A 81 10.405 1.839 13.018 1.00 10.00 C ATOM 1153 NE ARG A 81 11.669 2.596 12.905 1.00 10.00 N ATOM 1154 CZ ARG A 81 12.272 3.290 13.875 1.00 10.00 C ATOM 1155 NH1 ARG A 81 11.723 3.407 15.071 1.00 10.00 N ATOM 1156 NH2 ARG A 81 13.441 3.865 13.636 1.00 10.00 N ATOM 0 H ARG A 81 8.329 0.850 9.417 1.00 10.00 H new ATOM 0 HA ARG A 81 9.926 -1.312 10.588 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.111 0.750 11.799 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.944 -0.512 12.687 1.00 10.00 H new ATOM 0 HG2 ARG A 81 11.109 0.284 11.749 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.260 1.569 10.913 1.00 10.00 H new ATOM 0 HD2 ARG A 81 9.562 2.526 13.091 1.00 10.00 H new ATOM 0 HD3 ARG A 81 10.407 1.239 13.928 1.00 10.00 H new ATOM 0 HE ARG A 81 12.128 2.588 11.994 1.00 10.00 H new ATOM 0 HH11 ARG A 81 10.825 2.964 15.266 1.00 10.00 H new ATOM 0 HH12 ARG A 81 12.197 3.940 15.800 1.00 10.00 H new ATOM 0 HH21 ARG A 81 13.875 3.776 12.717 1.00 10.00 H new ATOM 0 HH22 ARG A 81 13.908 4.396 14.371 1.00 10.00 H new ATOM 1170 N ASP A 82 7.796 -2.465 9.335 1.00 10.00 N ATOM 1171 CA ASP A 82 6.989 -3.617 8.956 1.00 10.00 C ATOM 1172 C ASP A 82 6.818 -4.706 10.005 1.00 10.00 C ATOM 1173 O ASP A 82 7.636 -4.910 10.902 1.00 10.00 O ATOM 1174 CB ASP A 82 7.462 -4.149 7.580 1.00 10.00 C ATOM 1175 CG ASP A 82 6.941 -5.514 7.154 1.00 10.00 C ATOM 1176 OD1 ASP A 82 5.713 -5.710 7.212 1.00 10.00 O ATOM 1177 OD2 ASP A 82 7.719 -6.354 6.704 1.00 10.00 O ATOM 0 H ASP A 82 8.340 -2.122 8.543 1.00 10.00 H new ATOM 0 HA ASP A 82 5.966 -3.250 8.872 1.00 10.00 H new ATOM 0 HB2 ASP A 82 7.175 -3.424 6.819 1.00 10.00 H new ATOM 0 HB3 ASP A 82 8.551 -4.189 7.588 1.00 10.00 H new ATOM 1182 N ARG A 83 5.775 -5.442 9.757 1.00 10.00 N ATOM 1183 CA ARG A 83 5.100 -6.349 10.631 1.00 10.00 C ATOM 1184 C ARG A 83 3.831 -6.847 9.891 1.00 10.00 C ATOM 1185 O ARG A 83 3.328 -7.935 10.149 1.00 10.00 O ATOM 1186 CB ARG A 83 4.712 -5.605 11.934 1.00 10.00 C ATOM 1187 CG ARG A 83 4.074 -4.236 11.673 1.00 10.00 C ATOM 1188 CD ARG A 83 3.786 -3.467 12.961 1.00 10.00 C ATOM 1189 NE ARG A 83 2.671 -4.039 13.738 1.00 10.00 N ATOM 1190 CZ ARG A 83 2.410 -3.769 15.026 1.00 10.00 C ATOM 1191 NH1 ARG A 83 3.261 -3.054 15.751 1.00 10.00 N ATOM 1192 NH2 ARG A 83 1.306 -4.243 15.585 1.00 10.00 N ATOM 0 H ARG A 83 5.331 -5.417 8.839 1.00 10.00 H new ATOM 0 HA ARG A 83 5.735 -7.195 10.895 1.00 10.00 H new ATOM 0 HB2 ARG A 83 4.017 -6.221 12.505 1.00 10.00 H new ATOM 0 HB3 ARG A 83 5.602 -5.474 12.550 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.737 -3.645 11.042 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.145 -4.372 11.120 1.00 10.00 H new ATOM 0 HD2 ARG A 83 4.684 -3.456 13.579 1.00 10.00 H new ATOM 0 HD3 ARG A 83 3.556 -2.431 12.715 1.00 10.00 H new ATOM 0 HE ARG A 83 2.050 -4.691 13.259 1.00 10.00 H new ATOM 0 HH11 ARG A 83 4.122 -2.705 15.330 1.00 10.00 H new ATOM 0 HH12 ARG A 83 3.054 -2.854 16.730 1.00 10.00 H new ATOM 0 HH21 ARG A 83 0.660 -4.810 15.036 1.00 10.00 H new ATOM 0 HH22 ARG A 83 1.103 -4.041 16.564 1.00 10.00 H new ATOM 1206 N ARG A 84 3.321 -6.024 8.950 1.00 10.00 N ATOM 1207 CA ARG A 84 2.100 -6.355 8.224 1.00 10.00 C ATOM 1208 C ARG A 84 2.395 -6.837 6.785 1.00 10.00 C ATOM 1209 O ARG A 84 1.751 -7.709 6.256 1.00 10.00 O ATOM 1210 CB ARG A 84 1.194 -5.117 8.132 1.00 10.00 C ATOM 1211 CG ARG A 84 1.125 -4.288 9.412 1.00 10.00 C ATOM 1212 CD ARG A 84 0.062 -3.222 9.334 1.00 10.00 C ATOM 1213 NE ARG A 84 0.149 -2.268 10.448 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.897 -1.617 11.002 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -2.150 -2.000 10.756 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -0.670 -0.647 11.869 1.00 10.00 N ATOM 0 H ARG A 84 3.741 -5.133 8.684 1.00 10.00 H new ATOM 0 HA ARG A 84 1.611 -7.159 8.774 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.550 -4.481 7.321 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.187 -5.438 7.867 1.00 10.00 H new ATOM 0 HG2 ARG A 84 0.921 -4.943 10.259 1.00 10.00 H new ATOM 0 HG3 ARG A 84 2.093 -3.823 9.596 1.00 10.00 H new ATOM 0 HD2 ARG A 84 0.157 -2.685 8.390 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -0.922 -3.692 9.336 1.00 10.00 H new ATOM 0 HE ARG A 84 1.074 -2.082 10.834 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -2.329 -2.795 10.142 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -2.929 -1.498 11.182 1.00 10.00 H new ATOM 0 HH21 ARG A 84 0.288 -0.396 12.114 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -1.452 -0.149 12.293 1.00 10.00 H new ATOM 1230 N HIS A 85 3.410 -6.332 6.198 1.00 10.00 N ATOM 1231 CA HIS A 85 3.646 -6.543 4.796 1.00 10.00 C ATOM 1232 C HIS A 85 5.027 -7.096 4.571 1.00 10.00 C ATOM 1233 O HIS A 85 5.927 -6.373 4.211 1.00 10.00 O ATOM 1234 CB HIS A 85 3.358 -5.288 3.958 1.00 10.00 C ATOM 1235 CG HIS A 85 4.112 -4.036 4.328 1.00 10.00 C ATOM 1236 ND1 HIS A 85 4.088 -2.918 3.585 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.929 -3.748 5.363 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.849 -2.039 4.145 1.00 10.00 C ATOM 1239 NE2 HIS A 85 5.352 -2.513 5.216 1.00 10.00 N ATOM 0 H HIS A 85 4.112 -5.757 6.664 1.00 10.00 H new ATOM 0 HA HIS A 85 2.936 -7.291 4.444 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.574 -5.519 2.915 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.291 -5.074 4.023 1.00 10.00 H new ATOM 0 HD2 HIS A 85 5.189 -4.416 6.171 1.00 10.00 H new ATOM 0 HE1 HIS A 85 5.033 -1.046 3.762 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.977 -2.017 5.851 1.00 10.00 H new ATOM 1248 N SER A 86 5.061 -8.392 4.658 1.00 10.00 N ATOM 1249 CA SER A 86 6.215 -9.342 4.832 1.00 10.00 C ATOM 1250 C SER A 86 7.588 -9.057 4.180 1.00 10.00 C ATOM 1251 O SER A 86 8.343 -10.002 3.951 1.00 10.00 O ATOM 1252 CB SER A 86 5.780 -10.609 4.274 1.00 10.00 C ATOM 1253 OG SER A 86 5.830 -11.680 5.200 1.00 10.00 O ATOM 0 H SER A 86 4.187 -8.915 4.606 1.00 10.00 H new ATOM 0 HA SER A 86 6.422 -9.275 5.900 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.759 -10.504 3.906 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.405 -10.852 3.415 1.00 10.00 H new ATOM 0 HG SER A 86 5.683 -11.336 6.106 1.00 10.00 H new ATOM 1259 N ASN A 87 7.930 -7.854 3.938 1.00 10.00 N ATOM 1260 CA ASN A 87 9.183 -7.542 3.272 1.00 10.00 C ATOM 1261 C ASN A 87 9.420 -6.097 3.168 1.00 10.00 C ATOM 1262 O ASN A 87 10.408 -5.555 3.641 1.00 10.00 O ATOM 1263 CB ASN A 87 9.202 -8.128 1.858 1.00 10.00 C ATOM 1264 CG ASN A 87 10.512 -7.957 1.131 1.00 10.00 C ATOM 1265 OD1 ASN A 87 10.524 -7.671 -0.066 1.00 10.00 O ATOM 1266 ND2 ASN A 87 11.592 -8.204 1.799 1.00 10.00 N ATOM 0 H ASN A 87 7.368 -7.040 4.185 1.00 10.00 H new ATOM 0 HA ASN A 87 9.969 -7.984 3.884 1.00 10.00 H new ATOM 0 HB2 ASN A 87 8.968 -9.191 1.915 1.00 10.00 H new ATOM 0 HB3 ASN A 87 8.411 -7.659 1.273 1.00 10.00 H new ATOM 0 HD21 ASN A 87 12.499 -8.166 1.334 1.00 10.00 H new ATOM 0 HD22 ASN A 87 11.536 -8.437 2.790 1.00 10.00 H new ATOM 1273 N VAL A 88 8.472 -5.528 2.615 1.00 10.00 N ATOM 1274 CA VAL A 88 8.450 -4.222 2.097 1.00 10.00 C ATOM 1275 C VAL A 88 9.691 -3.690 1.465 1.00 10.00 C ATOM 1276 O VAL A 88 10.540 -3.069 2.089 1.00 10.00 O ATOM 1277 CB VAL A 88 7.695 -3.213 2.905 1.00 10.00 C ATOM 1278 CG1 VAL A 88 8.310 -2.925 4.219 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.438 -1.952 2.129 1.00 10.00 C ATOM 0 H VAL A 88 7.577 -6.000 2.487 1.00 10.00 H new ATOM 0 HA VAL A 88 7.828 -4.405 1.221 1.00 10.00 H new ATOM 0 HB VAL A 88 6.732 -3.676 3.121 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.709 -2.186 4.748 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.358 -3.842 4.807 1.00 10.00 H new ATOM 0 HG13 VAL A 88 9.317 -2.535 4.072 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.888 -1.247 2.752 1.00 10.00 H new ATOM 0 HG22 VAL A 88 8.388 -1.508 1.831 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.852 -2.185 1.240 1.00 10.00 H new ATOM 1289 N GLU A 89 9.789 -3.950 0.228 1.00 10.00 N ATOM 1290 CA GLU A 89 10.788 -3.355 -0.532 1.00 10.00 C ATOM 1291 C GLU A 89 10.221 -2.343 -1.428 1.00 10.00 C ATOM 1292 O GLU A 89 9.491 -2.654 -2.366 1.00 10.00 O ATOM 1293 CB GLU A 89 11.640 -4.317 -1.256 1.00 10.00 C ATOM 1294 CG GLU A 89 12.730 -4.859 -0.415 1.00 10.00 C ATOM 1295 CD GLU A 89 13.568 -3.781 0.245 1.00 10.00 C ATOM 1296 OE1 GLU A 89 14.004 -2.832 -0.448 1.00 10.00 O ATOM 1297 OE2 GLU A 89 13.837 -3.882 1.448 1.00 10.00 O ATOM 0 H GLU A 89 9.175 -4.584 -0.283 1.00 10.00 H new ATOM 0 HA GLU A 89 11.458 -2.860 0.172 1.00 10.00 H new ATOM 0 HB2 GLU A 89 11.024 -5.139 -1.620 1.00 10.00 H new ATOM 0 HB3 GLU A 89 12.070 -3.829 -2.131 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.301 -5.500 0.356 1.00 10.00 H new ATOM 0 HG3 GLU A 89 13.376 -5.487 -1.029 1.00 10.00 H new ATOM 1304 N ILE A 90 10.456 -1.144 -1.024 1.00 10.00 N ATOM 1305 CA ILE A 90 10.130 0.081 -1.755 1.00 10.00 C ATOM 1306 C ILE A 90 10.535 -0.090 -3.175 1.00 10.00 C ATOM 1307 O ILE A 90 9.763 0.044 -4.037 1.00 10.00 O ATOM 1308 CB ILE A 90 10.862 1.314 -1.171 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.891 1.246 0.339 1.00 10.00 C ATOM 1310 CG2 ILE A 90 10.166 2.630 -1.587 1.00 10.00 C ATOM 1311 CD1 ILE A 90 9.520 1.128 0.940 1.00 10.00 C ATOM 0 H ILE A 90 10.905 -0.956 -0.128 1.00 10.00 H new ATOM 0 HA ILE A 90 9.057 0.254 -1.668 1.00 10.00 H new ATOM 0 HB ILE A 90 11.877 1.303 -1.567 1.00 10.00 H new ATOM 0 HG12 ILE A 90 11.494 0.392 0.649 1.00 10.00 H new ATOM 0 HG13 ILE A 90 11.379 2.139 0.730 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.704 3.477 -1.161 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.163 2.712 -2.674 1.00 10.00 H new ATOM 0 HG23 ILE A 90 9.140 2.631 -1.220 1.00 10.00 H new ATOM 0 HD11 ILE A 90 9.601 1.083 2.026 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.923 1.995 0.656 1.00 10.00 H new ATOM 0 HD13 ILE A 90 9.039 0.221 0.574 1.00 10.00 H new ATOM 1323 N LEU A 91 11.787 -0.399 -3.365 1.00 10.00 N ATOM 1324 CA LEU A 91 12.424 -0.728 -4.656 1.00 10.00 C ATOM 1325 C LEU A 91 12.551 0.454 -5.580 1.00 10.00 C ATOM 1326 O LEU A 91 13.563 0.605 -6.280 1.00 10.00 O ATOM 1327 CB LEU A 91 11.727 -1.894 -5.390 1.00 10.00 C ATOM 1328 CG LEU A 91 11.757 -3.260 -4.711 1.00 10.00 C ATOM 1329 CD1 LEU A 91 10.963 -4.266 -5.521 1.00 10.00 C ATOM 1330 CD2 LEU A 91 13.186 -3.741 -4.525 1.00 10.00 C ATOM 0 H LEU A 91 12.449 -0.436 -2.590 1.00 10.00 H new ATOM 0 HA LEU A 91 13.431 -1.047 -4.385 1.00 10.00 H new ATOM 0 HB2 LEU A 91 10.685 -1.618 -5.549 1.00 10.00 H new ATOM 0 HB3 LEU A 91 12.184 -1.995 -6.374 1.00 10.00 H new ATOM 0 HG LEU A 91 11.300 -3.162 -3.726 1.00 10.00 H new ATOM 0 HD11 LEU A 91 10.992 -5.236 -5.026 1.00 10.00 H new ATOM 0 HD12 LEU A 91 9.929 -3.932 -5.603 1.00 10.00 H new ATOM 0 HD13 LEU A 91 11.396 -4.354 -6.517 1.00 10.00 H new ATOM 0 HD21 LEU A 91 13.181 -4.717 -4.039 1.00 10.00 H new ATOM 0 HD22 LEU A 91 13.672 -3.822 -5.497 1.00 10.00 H new ATOM 0 HD23 LEU A 91 13.732 -3.030 -3.905 1.00 10.00 H new ATOM 1342 N ALA A 92 11.562 1.277 -5.572 1.00 10.00 N ATOM 1343 CA ALA A 92 11.486 2.392 -6.469 1.00 10.00 C ATOM 1344 C ALA A 92 10.878 3.598 -5.803 1.00 10.00 C ATOM 1345 O ALA A 92 9.822 3.513 -5.153 1.00 10.00 O ATOM 1346 CB ALA A 92 10.649 2.011 -7.671 1.00 10.00 C ATOM 0 H ALA A 92 10.768 1.200 -4.936 1.00 10.00 H new ATOM 0 HA ALA A 92 12.500 2.649 -6.776 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.589 2.857 -8.356 1.00 10.00 H new ATOM 0 HB2 ALA A 92 11.108 1.164 -8.180 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.646 1.737 -7.344 1.00 10.00 H new ATOM 1352 N GLU A 93 11.541 4.706 -5.959 1.00 10.00 N ATOM 1353 CA GLU A 93 11.076 5.979 -5.487 1.00 10.00 C ATOM 1354 C GLU A 93 11.378 6.985 -6.579 1.00 10.00 C ATOM 1355 O GLU A 93 12.550 7.315 -6.811 1.00 10.00 O ATOM 1356 CB GLU A 93 11.830 6.410 -4.231 1.00 10.00 C ATOM 1357 CG GLU A 93 11.793 5.472 -3.075 1.00 10.00 C ATOM 1358 CD GLU A 93 12.693 5.942 -1.972 1.00 10.00 C ATOM 1359 OE1 GLU A 93 12.427 7.017 -1.390 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.695 5.259 -1.672 1.00 10.00 O ATOM 0 H GLU A 93 12.444 4.751 -6.431 1.00 10.00 H new ATOM 0 HA GLU A 93 10.014 5.917 -5.250 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.873 6.577 -4.501 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.427 7.369 -3.904 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.772 5.387 -2.704 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.099 4.477 -3.399 1.00 10.00 H new ATOM 1367 N GLU A 94 10.376 7.485 -7.219 1.00 10.00 N ATOM 1368 CA GLU A 94 10.582 8.414 -8.312 1.00 10.00 C ATOM 1369 C GLU A 94 9.888 9.723 -8.045 1.00 10.00 C ATOM 1370 O GLU A 94 8.886 9.759 -7.341 1.00 10.00 O ATOM 1371 CB GLU A 94 10.105 7.817 -9.639 1.00 10.00 C ATOM 1372 CG GLU A 94 8.668 7.317 -9.631 1.00 10.00 C ATOM 1373 CD GLU A 94 8.209 6.896 -11.000 1.00 10.00 C ATOM 1374 OE1 GLU A 94 7.806 7.766 -11.791 1.00 10.00 O ATOM 1375 OE2 GLU A 94 8.258 5.688 -11.309 1.00 10.00 O ATOM 0 H GLU A 94 9.399 7.275 -7.015 1.00 10.00 H new ATOM 0 HA GLU A 94 11.653 8.603 -8.388 1.00 10.00 H new ATOM 0 HB2 GLU A 94 10.209 8.571 -10.419 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.762 6.989 -9.906 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.581 6.475 -8.945 1.00 10.00 H new ATOM 0 HG3 GLU A 94 8.013 8.103 -9.255 1.00 10.00 H new ATOM 1382 N SER A 95 10.421 10.790 -8.575 1.00 10.00 N ATOM 1383 CA SER A 95 9.811 12.071 -8.434 1.00 10.00 C ATOM 1384 C SER A 95 8.712 12.237 -9.471 1.00 10.00 C ATOM 1385 O SER A 95 8.938 12.086 -10.685 1.00 10.00 O ATOM 1386 CB SER A 95 10.863 13.177 -8.497 1.00 10.00 C ATOM 1387 OG SER A 95 11.700 13.046 -9.641 1.00 10.00 O ATOM 0 H SER A 95 11.287 10.790 -9.114 1.00 10.00 H new ATOM 0 HA SER A 95 9.342 12.149 -7.453 1.00 10.00 H new ATOM 0 HB2 SER A 95 10.369 14.148 -8.518 1.00 10.00 H new ATOM 0 HB3 SER A 95 11.474 13.149 -7.595 1.00 10.00 H new ATOM 0 HG SER A 95 11.171 12.717 -10.397 1.00 10.00 H new ATOM 1393 N ILE A 96 7.533 12.494 -9.007 1.00 10.00 N ATOM 1394 CA ILE A 96 6.389 12.593 -9.881 1.00 10.00 C ATOM 1395 C ILE A 96 5.772 13.970 -9.907 1.00 10.00 C ATOM 1396 O ILE A 96 6.247 14.902 -9.245 1.00 10.00 O ATOM 1397 CB ILE A 96 5.305 11.613 -9.513 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.881 11.823 -8.078 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.787 10.188 -9.777 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.530 11.325 -7.738 1.00 10.00 C ATOM 0 H ILE A 96 7.326 12.642 -8.019 1.00 10.00 H new ATOM 0 HA ILE A 96 6.787 12.363 -10.869 1.00 10.00 H new ATOM 0 HB ILE A 96 4.425 11.781 -10.134 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.605 11.333 -7.427 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.924 12.889 -7.856 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.000 9.482 -9.510 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.031 10.076 -10.833 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.674 9.987 -9.177 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.323 11.524 -6.687 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.789 11.832 -8.356 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.481 10.251 -7.920 1.00 10.00 H new ATOM 1412 N ALA A 97 4.714 14.094 -10.683 1.00 10.00 N ATOM 1413 CA ALA A 97 3.942 15.322 -10.752 1.00 10.00 C ATOM 1414 C ALA A 97 2.571 15.084 -10.223 1.00 10.00 C ATOM 1415 O ALA A 97 1.736 15.985 -10.139 1.00 10.00 O ATOM 1416 CB ALA A 97 3.876 15.839 -12.134 1.00 10.00 C ATOM 0 H ALA A 97 4.364 13.348 -11.284 1.00 10.00 H new ATOM 0 HA ALA A 97 4.440 16.074 -10.140 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.291 16.759 -12.151 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.884 16.043 -12.495 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.404 15.097 -12.778 1.00 10.00 H new ATOM 1422 N LYS A 98 2.407 13.881 -9.815 1.00 10.00 N ATOM 1423 CA LYS A 98 1.243 13.339 -9.282 1.00 10.00 C ATOM 1424 C LYS A 98 0.051 13.539 -10.219 1.00 10.00 C ATOM 1425 O LYS A 98 0.228 13.627 -11.446 1.00 10.00 O ATOM 1426 CB LYS A 98 1.086 13.959 -7.935 1.00 10.00 C ATOM 1427 CG LYS A 98 0.248 13.213 -7.017 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.572 14.046 -6.103 1.00 10.00 C ATOM 1429 CE LYS A 98 0.217 14.294 -4.899 1.00 10.00 C ATOM 1430 NZ LYS A 98 -0.487 15.123 -3.892 1.00 10.00 N ATOM 0 H LYS A 98 3.164 13.198 -9.856 1.00 10.00 H new ATOM 0 HA LYS A 98 1.298 12.256 -9.175 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.073 14.079 -7.488 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.668 14.958 -8.057 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.417 12.571 -7.595 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.882 12.559 -6.419 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.843 14.986 -6.583 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.502 13.536 -5.852 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.487 13.339 -4.448 1.00 10.00 H new ATOM 0 HE3 LYS A 98 1.147 14.788 -5.179 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 0.150 15.871 -3.552 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.328 15.555 -4.325 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -0.777 14.525 -3.092 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.133 13.464 -9.645 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.406 13.742 -10.304 1.00 10.00 C ATOM 1446 C ARG A 99 -2.833 12.523 -11.107 1.00 10.00 C ATOM 1447 O ARG A 99 -3.748 12.584 -11.936 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.301 15.022 -11.184 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.568 15.841 -11.343 1.00 10.00 C ATOM 1450 CD ARG A 99 -3.918 16.572 -10.053 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.023 17.512 -10.248 1.00 10.00 N ATOM 1452 CZ ARG A 99 -5.287 18.589 -9.489 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -4.530 18.877 -8.429 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -6.309 19.374 -9.806 1.00 10.00 N ATOM 0 H ARG A 99 -1.246 13.197 -8.667 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.174 13.940 -9.556 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.530 15.665 -10.760 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.959 14.727 -12.176 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.439 16.563 -12.149 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.393 15.188 -11.629 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.188 15.847 -9.285 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -3.042 17.110 -9.690 1.00 10.00 H new ATOM 0 HE ARG A 99 -5.650 17.333 -11.032 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -3.741 18.277 -8.187 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -4.740 19.697 -7.860 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -6.885 19.157 -10.619 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -6.518 20.194 -9.237 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.219 11.404 -10.787 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.442 10.169 -11.484 1.00 10.00 C ATOM 1470 C ARG A 100 -3.692 9.478 -10.964 1.00 10.00 C ATOM 1471 O ARG A 100 -4.602 9.178 -11.740 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.217 9.280 -11.316 1.00 10.00 C ATOM 1473 CG ARG A 100 0.068 9.951 -11.783 1.00 10.00 C ATOM 1474 CD ARG A 100 1.307 9.260 -11.215 1.00 10.00 C ATOM 1475 NE ARG A 100 1.357 7.827 -11.532 1.00 10.00 N ATOM 1476 CZ ARG A 100 2.125 6.920 -10.914 1.00 10.00 C ATOM 1477 NH1 ARG A 100 2.943 7.272 -9.919 1.00 10.00 N ATOM 1478 NH2 ARG A 100 2.051 5.656 -11.279 1.00 10.00 N ATOM 0 H ARG A 100 -1.544 11.332 -10.026 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.597 10.370 -12.544 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.116 9.003 -10.267 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.364 8.357 -11.877 1.00 10.00 H new ATOM 0 HG2 ARG A 100 0.111 9.937 -12.872 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.063 10.997 -11.478 1.00 10.00 H new ATOM 0 HD2 ARG A 100 2.200 9.745 -11.608 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.325 9.389 -10.133 1.00 10.00 H new ATOM 0 HE ARG A 100 0.756 7.494 -12.286 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.990 8.245 -9.618 1.00 10.00 H new ATOM 0 HH12 ARG A 100 3.520 6.567 -9.460 1.00 10.00 H new ATOM 0 HH21 ARG A 100 1.414 5.377 -12.025 1.00 10.00 H new ATOM 0 HH22 ARG A 100 2.631 4.957 -10.816 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.766 9.242 -9.658 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.923 8.526 -9.113 1.00 10.00 C ATOM 1494 C PHE A 101 -5.867 9.389 -8.326 1.00 10.00 C ATOM 1495 O PHE A 101 -7.000 8.997 -8.061 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.536 7.235 -8.378 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.213 6.093 -9.307 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.060 6.095 -10.076 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.084 5.023 -9.426 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -2.782 5.057 -10.936 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -4.811 3.980 -10.287 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.657 3.997 -11.043 1.00 10.00 C ATOM 0 H PHE A 101 -3.065 9.524 -8.973 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.495 8.218 -9.988 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.673 7.432 -7.742 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.355 6.940 -7.722 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.370 6.922 -9.999 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -5.989 5.005 -8.837 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -1.878 5.073 -11.527 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.499 3.152 -10.369 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.440 3.182 -11.717 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.386 10.545 -7.962 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.138 11.620 -7.226 1.00 10.00 C ATOM 1514 C ALA A 102 -6.634 11.244 -5.804 1.00 10.00 C ATOM 1515 O ALA A 102 -6.936 12.126 -4.991 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.250 12.225 -8.077 1.00 10.00 C ATOM 0 H ALA A 102 -4.422 10.812 -8.161 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.386 12.388 -7.046 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.766 12.997 -7.506 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.821 12.666 -8.977 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -7.959 11.446 -8.357 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.701 9.986 -5.523 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.022 9.498 -4.209 1.00 10.00 C ATOM 1524 C GLY A 103 -6.374 8.158 -4.029 1.00 10.00 C ATOM 1525 O GLY A 103 -5.938 7.573 -5.017 1.00 10.00 O ATOM 0 H GLY A 103 -6.532 9.249 -6.207 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.669 10.195 -3.449 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.102 9.416 -4.089 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.247 7.683 -2.812 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.690 6.356 -2.567 1.00 10.00 C ATOM 1531 C TRP A 104 -6.788 5.295 -2.596 1.00 10.00 C ATOM 1532 O TRP A 104 -7.908 5.524 -2.112 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.825 6.344 -1.286 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.454 5.007 -0.756 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.315 4.299 -0.975 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.242 4.231 0.118 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.367 3.123 -0.291 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.550 3.062 0.387 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.488 4.425 0.692 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -5.076 2.100 1.214 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.994 3.508 1.479 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -6.312 2.362 1.743 1.00 10.00 C ATOM 0 H TRP A 104 -6.520 8.190 -1.970 1.00 10.00 H new ATOM 0 HA TRP A 104 -5.008 6.096 -3.376 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.909 6.899 -1.487 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.361 6.885 -0.506 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.493 4.620 -1.597 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.642 2.406 -0.286 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -7.041 5.331 0.491 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.544 1.187 1.435 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.966 3.665 1.924 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.763 1.629 2.396 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.475 4.150 -3.189 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.451 3.110 -3.412 1.00 10.00 C ATOM 1555 C HIS A 105 -6.988 1.817 -2.765 1.00 10.00 C ATOM 1556 O HIS A 105 -5.793 1.591 -2.646 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.606 2.909 -4.919 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.123 4.107 -5.659 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.295 5.061 -6.217 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.380 4.501 -5.939 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.023 5.982 -6.804 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.286 5.666 -6.650 1.00 10.00 N ATOM 0 H HIS A 105 -5.539 3.924 -3.525 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.406 3.395 -2.972 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.638 2.630 -5.336 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.282 2.071 -5.093 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.276 5.051 -6.179 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.290 3.993 -5.656 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -7.646 6.850 -7.324 1.00 10.00 H new ATOM 1571 N MET A 106 -7.916 0.977 -2.346 1.00 10.00 N ATOM 1572 CA MET A 106 -7.562 -0.306 -1.750 1.00 10.00 C ATOM 1573 C MET A 106 -8.494 -1.362 -2.327 1.00 10.00 C ATOM 1574 O MET A 106 -9.657 -1.070 -2.586 1.00 10.00 O ATOM 1575 CB MET A 106 -7.708 -0.246 -0.218 1.00 10.00 C ATOM 1576 CG MET A 106 -6.669 -1.067 0.573 1.00 10.00 C ATOM 1577 SD MET A 106 -6.687 -2.843 0.254 1.00 10.00 S ATOM 1578 CE MET A 106 -5.356 -3.393 1.340 1.00 10.00 C ATOM 0 H MET A 106 -8.919 1.155 -2.405 1.00 10.00 H new ATOM 0 HA MET A 106 -6.524 -0.552 -1.976 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.641 0.795 0.097 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.705 -0.596 0.050 1.00 10.00 H new ATOM 0 HG2 MET A 106 -5.675 -0.683 0.343 1.00 10.00 H new ATOM 0 HG3 MET A 106 -6.835 -0.904 1.638 1.00 10.00 H new ATOM 0 HE1 MET A 106 -4.941 -4.328 0.963 1.00 10.00 H new ATOM 0 HE2 MET A 106 -4.573 -2.635 1.369 1.00 10.00 H new ATOM 0 HE3 MET A 106 -5.748 -3.549 2.345 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.992 -2.560 -2.542 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.790 -3.643 -3.136 1.00 10.00 C ATOM 1590 C GLN A 107 -9.608 -4.402 -2.094 1.00 10.00 C ATOM 1591 O GLN A 107 -10.734 -4.803 -2.360 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.891 -4.634 -3.860 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.149 -4.067 -5.049 1.00 10.00 C ATOM 1594 CD GLN A 107 -6.199 -5.080 -5.657 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -5.670 -5.942 -4.968 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -5.958 -4.975 -6.933 1.00 10.00 N ATOM 0 H GLN A 107 -7.032 -2.821 -2.317 1.00 10.00 H new ATOM 0 HA GLN A 107 -9.477 -3.170 -3.838 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -7.164 -5.029 -3.150 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -8.498 -5.475 -4.196 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -7.866 -3.743 -5.803 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -6.590 -3.184 -4.741 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -6.415 -4.245 -7.480 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -5.312 -5.622 -7.385 1.00 10.00 H new