USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=23 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 19 CYS SG : rot 23:sc= -2.71 USER MOD Set 1.2: A 76 MET CE :methyl 152:sc= -2.4! (180deg=-4.87!) USER MOD Set 1.3: A 80 GLN :FLIP amide:sc= -2.78! C(o=-10!,f=-7.9!) USER MOD Set 2.1: A 21 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 63 GLN :FLIP amide:sc= -0.698 F(o=-1.9,f=-0.7) USER MOD Single : A 18 SER OG : rot 180:sc= -2.04! USER MOD Single : A 20 CYS SG : rot 129:sc= 1.24 USER MOD Single : A 23 SER OG : rot 123:sc= -2.69! USER MOD Single : A 30 THR OG1 : rot 135:sc= 1.17 USER MOD Single : A 40 THR OG1 : rot 140:sc= 0.556 USER MOD Single : A 41 SER OG : rot -140:sc= 1.55 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.161 F(o=-2.1!,f=-0.16) USER MOD Single : A 44 HIS : no HD1:sc= 0.308 K(o=0.31,f=-5!) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 49 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 51 THR OG1 : rot 161:sc= -1.88! 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 X(o=0,f=0.098) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.149 F(o=-1.9!,f=-0.15) USER MOD Single : A 77 SER OG : rot 79:sc= 1.28 USER MOD Single : A 78 HIS : no HE2:sc= 1.28 K(o=1.3,f=-4.3!) USER MOD Single : A 85 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-7.2!) USER MOD Single : A 86 SER OG : rot -160:sc= -0.282 USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 148:sc= 1.17 (180deg=0.496) USER MOD Single : A 105 HIS : no HE2:sc= -0.254 X(o=-0.25,f=-0.63) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.951 K(o=0.95,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.649 18.601 -6.721 1.00 10.00 N ATOM 139 CA ASP A 15 7.139 18.177 -5.469 1.00 10.00 C ATOM 140 C ASP A 15 6.379 16.998 -4.990 1.00 10.00 C ATOM 141 O ASP A 15 6.059 16.870 -3.837 1.00 10.00 O ATOM 142 CB ASP A 15 7.127 19.313 -4.460 1.00 10.00 C ATOM 143 CG ASP A 15 5.758 19.957 -4.255 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.354 20.790 -5.100 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.072 19.671 -3.246 1.00 10.00 O ATOM 0 HA ASP A 15 8.179 17.874 -5.588 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.485 18.936 -3.502 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.831 20.079 -4.785 1.00 10.00 H new ATOM 150 N LEU A 16 6.144 16.144 -5.883 1.00 10.00 N ATOM 151 CA LEU A 16 5.540 14.922 -5.654 1.00 10.00 C ATOM 152 C LEU A 16 6.474 13.848 -6.067 1.00 10.00 C ATOM 153 O LEU A 16 7.366 14.055 -6.879 1.00 10.00 O ATOM 154 CB LEU A 16 4.189 14.798 -6.338 1.00 10.00 C ATOM 155 CG LEU A 16 3.109 15.833 -5.990 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.940 16.084 -4.510 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.225 17.098 -6.790 1.00 10.00 C ATOM 0 H LEU A 16 6.387 16.293 -6.862 1.00 10.00 H new ATOM 0 HA LEU A 16 5.328 14.829 -4.589 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.355 14.837 -7.415 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.790 13.809 -6.112 1.00 10.00 H new ATOM 0 HG LEU A 16 2.174 15.365 -6.298 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.158 16.827 -4.354 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.662 15.155 -4.013 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.878 16.451 -4.094 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.434 17.788 -6.497 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.195 17.559 -6.604 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.131 16.867 -7.851 1.00 10.00 H new ATOM 169 N VAL A 17 6.272 12.733 -5.502 1.00 10.00 N ATOM 170 CA VAL A 17 7.052 11.600 -5.645 1.00 10.00 C ATOM 171 C VAL A 17 6.135 10.380 -5.442 1.00 10.00 C ATOM 172 O VAL A 17 5.133 10.462 -4.734 1.00 10.00 O ATOM 173 CB VAL A 17 8.223 11.595 -4.604 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.783 10.235 -4.440 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.342 12.551 -4.970 1.00 10.00 C ATOM 0 H VAL A 17 5.483 12.585 -4.872 1.00 10.00 H new ATOM 0 HA VAL A 17 7.506 11.574 -6.636 1.00 10.00 H new ATOM 0 HB VAL A 17 7.787 11.933 -3.664 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.594 10.261 -3.712 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.002 9.560 -4.090 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.166 9.881 -5.397 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.124 12.503 -4.212 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.758 12.271 -5.938 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.950 13.567 -5.023 1.00 10.00 H new ATOM 185 N SER A 18 6.448 9.324 -6.102 1.00 10.00 N ATOM 186 CA SER A 18 5.768 8.070 -5.970 1.00 10.00 C ATOM 187 C SER A 18 6.730 7.033 -5.466 1.00 10.00 C ATOM 188 O SER A 18 7.788 6.807 -6.067 1.00 10.00 O ATOM 189 CB SER A 18 5.180 7.592 -7.301 1.00 10.00 C ATOM 190 OG SER A 18 4.135 8.421 -7.736 1.00 10.00 O ATOM 0 H SER A 18 7.213 9.300 -6.777 1.00 10.00 H new ATOM 0 HA SER A 18 4.947 8.213 -5.268 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.964 7.569 -8.057 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.813 6.572 -7.191 1.00 10.00 H new ATOM 0 HG SER A 18 3.785 8.087 -8.588 1.00 10.00 H new ATOM 196 N CYS A 19 6.419 6.457 -4.360 1.00 10.00 N ATOM 197 CA CYS A 19 7.183 5.367 -3.885 1.00 10.00 C ATOM 198 C CYS A 19 6.383 4.129 -4.229 1.00 10.00 C ATOM 199 O CYS A 19 5.251 3.976 -3.790 1.00 10.00 O ATOM 200 CB CYS A 19 7.466 5.504 -2.377 1.00 10.00 C ATOM 201 SG CYS A 19 6.037 5.392 -1.297 1.00 10.00 S ATOM 0 H CYS A 19 5.635 6.727 -3.766 1.00 10.00 H new ATOM 0 HA CYS A 19 8.169 5.320 -4.348 1.00 10.00 H new ATOM 0 HB2 CYS A 19 8.177 4.729 -2.089 1.00 10.00 H new ATOM 0 HB3 CYS A 19 7.953 6.464 -2.204 1.00 10.00 H new ATOM 0 HG CYS A 19 5.087 4.741 -1.900 1.00 10.00 H new ATOM 207 N CYS A 20 6.925 3.301 -5.060 1.00 10.00 N ATOM 208 CA CYS A 20 6.214 2.168 -5.554 1.00 10.00 C ATOM 209 C CYS A 20 6.821 0.987 -4.903 1.00 10.00 C ATOM 210 O CYS A 20 7.917 0.624 -5.259 1.00 10.00 O ATOM 211 CB CYS A 20 6.405 2.087 -7.076 1.00 10.00 C ATOM 212 SG CYS A 20 6.040 3.635 -7.953 1.00 10.00 S ATOM 0 H CYS A 20 7.876 3.391 -5.417 1.00 10.00 H new ATOM 0 HA CYS A 20 5.146 2.227 -5.343 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.434 1.796 -7.287 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.764 1.299 -7.470 1.00 10.00 H new ATOM 0 HG CYS A 20 7.032 3.933 -8.739 1.00 10.00 H new ATOM 218 N TYR A 21 6.145 0.381 -3.962 1.00 10.00 N ATOM 219 CA TYR A 21 6.788 -0.631 -3.198 1.00 10.00 C ATOM 220 C TYR A 21 6.238 -2.016 -3.396 1.00 10.00 C ATOM 221 O TYR A 21 5.021 -2.232 -3.495 1.00 10.00 O ATOM 222 CB TYR A 21 6.870 -0.263 -1.708 1.00 10.00 C ATOM 223 CG TYR A 21 5.648 -0.348 -0.813 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.250 -1.553 -0.231 1.00 10.00 C ATOM 225 CD2 TYR A 21 4.948 0.783 -0.486 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.187 -1.614 0.644 1.00 10.00 C ATOM 227 CE2 TYR A 21 3.890 0.726 0.376 1.00 10.00 C ATOM 228 CZ TYR A 21 3.517 -0.473 0.940 1.00 10.00 C ATOM 229 OH TYR A 21 2.493 -0.520 1.817 1.00 10.00 O ATOM 0 H TYR A 21 5.173 0.571 -3.717 1.00 10.00 H new ATOM 0 HA TYR A 21 7.802 -0.671 -3.596 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.636 -0.899 -1.264 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.236 0.762 -1.652 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.788 -2.458 -0.472 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.236 1.731 -0.915 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.893 -2.554 1.086 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.343 1.626 0.616 1.00 10.00 H new ATOM 0 HH TYR A 21 2.651 -1.237 2.467 1.00 10.00 H new ATOM 239 N ARG A 22 7.151 -2.942 -3.439 1.00 10.00 N ATOM 240 CA ARG A 22 6.868 -4.336 -3.529 1.00 10.00 C ATOM 241 C ARG A 22 6.944 -4.922 -2.136 1.00 10.00 C ATOM 242 O ARG A 22 7.795 -4.534 -1.344 1.00 10.00 O ATOM 243 CB ARG A 22 7.871 -5.015 -4.522 1.00 10.00 C ATOM 244 CG ARG A 22 8.239 -6.481 -4.223 1.00 10.00 C ATOM 245 CD ARG A 22 9.408 -6.568 -3.231 1.00 10.00 C ATOM 246 NE ARG A 22 9.641 -7.931 -2.749 1.00 10.00 N ATOM 247 CZ ARG A 22 10.843 -8.545 -2.710 1.00 10.00 C ATOM 248 NH1 ARG A 22 11.928 -7.949 -3.204 1.00 10.00 N ATOM 249 NH2 ARG A 22 10.941 -9.762 -2.216 1.00 10.00 N ATOM 0 H ARG A 22 8.149 -2.734 -3.411 1.00 10.00 H new ATOM 0 HA ARG A 22 5.867 -4.513 -3.923 1.00 10.00 H new ATOM 0 HB2 ARG A 22 7.446 -4.966 -5.525 1.00 10.00 H new ATOM 0 HB3 ARG A 22 8.789 -4.428 -4.536 1.00 10.00 H new ATOM 0 HG2 ARG A 22 7.372 -7.000 -3.814 1.00 10.00 H new ATOM 0 HG3 ARG A 22 8.507 -6.988 -5.150 1.00 10.00 H new ATOM 0 HD2 ARG A 22 10.314 -6.197 -3.710 1.00 10.00 H new ATOM 0 HD3 ARG A 22 9.207 -5.916 -2.381 1.00 10.00 H new ATOM 0 HE ARG A 22 8.833 -8.457 -2.417 1.00 10.00 H new ATOM 0 HH11 ARG A 22 11.856 -7.019 -3.617 1.00 10.00 H new ATOM 0 HH12 ARG A 22 12.831 -8.423 -3.169 1.00 10.00 H new ATOM 0 HH21 ARG A 22 10.110 -10.238 -1.864 1.00 10.00 H new ATOM 0 HH22 ARG A 22 11.848 -10.228 -2.185 1.00 10.00 H new ATOM 263 N SER A 23 6.062 -5.792 -1.802 1.00 10.00 N ATOM 264 CA SER A 23 6.105 -6.427 -0.519 1.00 10.00 C ATOM 265 C SER A 23 5.459 -7.767 -0.584 1.00 10.00 C ATOM 266 O SER A 23 5.025 -8.215 -1.634 1.00 10.00 O ATOM 267 CB SER A 23 5.372 -5.585 0.525 1.00 10.00 C ATOM 268 OG SER A 23 5.928 -4.322 0.637 1.00 10.00 O ATOM 0 H SER A 23 5.291 -6.089 -2.400 1.00 10.00 H new ATOM 0 HA SER A 23 7.152 -6.532 -0.234 1.00 10.00 H new ATOM 0 HB2 SER A 23 4.320 -5.498 0.251 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.410 -6.088 1.491 1.00 10.00 H new ATOM 0 HG SER A 23 5.239 -3.645 0.468 1.00 10.00 H new ATOM 274 N LEU A 24 5.439 -8.405 0.516 1.00 10.00 N ATOM 275 CA LEU A 24 4.703 -9.601 0.704 1.00 10.00 C ATOM 276 C LEU A 24 3.746 -9.274 1.816 1.00 10.00 C ATOM 277 O LEU A 24 3.986 -8.312 2.554 1.00 10.00 O ATOM 278 CB LEU A 24 5.619 -10.788 1.128 1.00 10.00 C ATOM 279 CG LEU A 24 6.699 -11.290 0.133 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.095 -11.629 -1.209 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.871 -10.317 -0.015 1.00 10.00 C ATOM 0 H LEU A 24 5.951 -8.104 1.345 1.00 10.00 H new ATOM 0 HA LEU A 24 4.210 -9.915 -0.216 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.126 -10.501 2.049 1.00 10.00 H new ATOM 0 HB3 LEU A 24 4.974 -11.633 1.369 1.00 10.00 H new ATOM 0 HG LEU A 24 7.110 -12.204 0.561 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.878 -11.977 -1.883 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.348 -12.413 -1.084 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.622 -10.742 -1.630 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.593 -10.723 -0.723 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.504 -9.358 -0.380 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.352 -10.177 0.953 1.00 10.00 H new ATOM 293 N ALA A 25 2.673 -9.952 1.913 1.00 10.00 N ATOM 294 CA ALA A 25 1.802 -9.774 3.042 1.00 10.00 C ATOM 295 C ALA A 25 2.129 -10.882 3.980 1.00 10.00 C ATOM 296 O ALA A 25 2.329 -12.000 3.503 1.00 10.00 O ATOM 297 CB ALA A 25 0.358 -9.860 2.603 1.00 10.00 C ATOM 0 H ALA A 25 2.360 -10.643 1.231 1.00 10.00 H new ATOM 0 HA ALA A 25 1.938 -8.800 3.511 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.293 -9.724 3.466 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.154 -9.081 1.868 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.171 -10.837 2.158 1.00 10.00 H new ATOM 303 N ALA A 26 2.251 -10.623 5.287 1.00 10.00 N ATOM 304 CA ALA A 26 2.577 -11.685 6.161 1.00 10.00 C ATOM 305 C ALA A 26 1.457 -12.706 6.172 1.00 10.00 C ATOM 306 O ALA A 26 0.310 -12.375 6.387 1.00 10.00 O ATOM 307 CB ALA A 26 2.877 -11.157 7.529 1.00 10.00 C ATOM 0 H ALA A 26 2.128 -9.709 5.724 1.00 10.00 H new ATOM 0 HA ALA A 26 3.477 -12.188 5.807 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.126 -11.985 8.192 1.00 10.00 H new ATOM 0 HB2 ALA A 26 3.720 -10.468 7.476 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.003 -10.633 7.916 1.00 10.00 H new ATOM 313 N PRO A 27 1.775 -13.960 5.888 1.00 10.00 N ATOM 314 CA PRO A 27 0.799 -15.081 5.824 1.00 10.00 C ATOM 315 C PRO A 27 0.036 -15.346 7.118 1.00 10.00 C ATOM 316 O PRO A 27 -0.876 -16.183 7.167 1.00 10.00 O ATOM 317 CB PRO A 27 1.690 -16.266 5.503 1.00 10.00 C ATOM 318 CG PRO A 27 3.028 -15.818 5.972 1.00 10.00 C ATOM 319 CD PRO A 27 3.121 -14.436 5.540 1.00 10.00 C ATOM 0 HA PRO A 27 0.010 -14.867 5.103 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.363 -17.168 6.020 1.00 10.00 H new ATOM 0 HB3 PRO A 27 1.691 -16.492 4.437 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.117 -15.902 7.055 1.00 10.00 H new ATOM 0 HG3 PRO A 27 3.824 -16.424 5.538 1.00 10.00 H new ATOM 0 HD2 PRO A 27 3.904 -13.889 6.065 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.330 -14.347 4.474 1.00 10.00 H new ATOM 327 N ASP A 28 0.375 -14.634 8.124 1.00 10.00 N ATOM 328 CA ASP A 28 -0.251 -14.821 9.419 1.00 10.00 C ATOM 329 C ASP A 28 -1.124 -13.615 9.743 1.00 10.00 C ATOM 330 O ASP A 28 -1.633 -13.449 10.851 1.00 10.00 O ATOM 331 CB ASP A 28 0.802 -15.103 10.508 1.00 10.00 C ATOM 332 CG ASP A 28 0.192 -15.451 11.849 1.00 10.00 C ATOM 333 OD1 ASP A 28 -0.559 -16.456 11.946 1.00 10.00 O ATOM 334 OD2 ASP A 28 0.420 -14.719 12.837 1.00 10.00 O ATOM 0 H ASP A 28 1.087 -13.904 8.097 1.00 10.00 H new ATOM 0 HA ASP A 28 -0.896 -15.699 9.387 1.00 10.00 H new ATOM 0 HB2 ASP A 28 1.441 -15.924 10.183 1.00 10.00 H new ATOM 0 HB3 ASP A 28 1.441 -14.227 10.623 1.00 10.00 H new ATOM 339 N LEU A 29 -1.328 -12.798 8.727 1.00 10.00 N ATOM 340 CA LEU A 29 -2.142 -11.615 8.822 1.00 10.00 C ATOM 341 C LEU A 29 -3.562 -11.883 9.160 1.00 10.00 C ATOM 342 O LEU A 29 -4.109 -12.977 8.924 1.00 10.00 O ATOM 343 CB LEU A 29 -2.061 -10.768 7.575 1.00 10.00 C ATOM 344 CG LEU A 29 -0.920 -9.792 7.548 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.742 -9.241 6.157 1.00 10.00 C ATOM 346 CD2 LEU A 29 -1.211 -8.668 8.529 1.00 10.00 C ATOM 0 H LEU A 29 -0.924 -12.945 7.802 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.717 -11.059 9.658 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.977 -11.427 6.711 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.995 -10.216 7.466 1.00 10.00 H new ATOM 0 HG LEU A 29 0.003 -10.296 7.836 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.088 -8.534 6.149 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.530 -10.057 5.467 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.655 -8.732 5.848 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -0.388 -7.953 8.518 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.134 -8.164 8.242 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.320 -9.080 9.532 1.00 10.00 H new ATOM 358 N THR A 30 -4.134 -10.891 9.711 1.00 10.00 N ATOM 359 CA THR A 30 -5.451 -10.893 10.139 1.00 10.00 C ATOM 360 C THR A 30 -6.258 -9.849 9.439 1.00 10.00 C ATOM 361 O THR A 30 -5.746 -8.793 9.101 1.00 10.00 O ATOM 362 CB THR A 30 -5.465 -10.624 11.593 1.00 10.00 C ATOM 363 OG1 THR A 30 -4.157 -10.181 12.031 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.876 -11.835 12.321 1.00 10.00 C ATOM 0 H THR A 30 -3.657 -10.006 9.881 1.00 10.00 H new ATOM 0 HA THR A 30 -5.892 -11.864 9.913 1.00 10.00 H new ATOM 0 HB THR A 30 -6.183 -9.831 11.804 1.00 10.00 H new ATOM 0 HG1 THR A 30 -4.256 -9.408 12.626 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.884 -11.631 13.392 1.00 10.00 H new ATOM 0 HG22 THR A 30 -6.875 -12.131 12.000 1.00 10.00 H new ATOM 0 HG23 THR A 30 -5.174 -12.642 12.111 1.00 10.00 H new ATOM 372 N LEU A 31 -7.517 -10.148 9.236 1.00 10.00 N ATOM 373 CA LEU A 31 -8.476 -9.263 8.591 1.00 10.00 C ATOM 374 C LEU A 31 -8.489 -7.914 9.255 1.00 10.00 C ATOM 375 O LEU A 31 -8.412 -6.912 8.581 1.00 10.00 O ATOM 376 CB LEU A 31 -9.841 -9.856 8.722 1.00 10.00 C ATOM 377 CG LEU A 31 -11.006 -9.130 8.032 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.837 -9.117 6.523 1.00 10.00 C ATOM 379 CD2 LEU A 31 -12.331 -9.768 8.418 1.00 10.00 C ATOM 0 H LEU A 31 -7.923 -11.039 9.521 1.00 10.00 H new ATOM 0 HA LEU A 31 -8.193 -9.147 7.545 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -9.803 -10.874 8.333 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -10.074 -9.929 9.784 1.00 10.00 H new ATOM 0 HG LEU A 31 -11.004 -8.095 8.373 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -11.679 -8.596 6.067 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.910 -8.605 6.265 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -10.801 -10.141 6.152 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -13.146 -9.242 7.921 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -12.334 -10.814 8.112 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -12.464 -9.706 9.498 1.00 10.00 H new ATOM 391 N ARG A 32 -8.510 -7.879 10.588 1.00 10.00 N ATOM 392 CA ARG A 32 -8.584 -6.581 11.269 1.00 10.00 C ATOM 393 C ARG A 32 -7.311 -5.787 11.020 1.00 10.00 C ATOM 394 O ARG A 32 -7.285 -4.575 11.126 1.00 10.00 O ATOM 395 CB ARG A 32 -8.835 -6.711 12.769 1.00 10.00 C ATOM 396 CG ARG A 32 -9.030 -5.370 13.451 1.00 10.00 C ATOM 397 CD ARG A 32 -10.330 -4.697 13.021 1.00 10.00 C ATOM 398 NE ARG A 32 -10.441 -3.350 13.586 1.00 10.00 N ATOM 399 CZ ARG A 32 -10.967 -3.061 14.790 1.00 10.00 C ATOM 400 NH1 ARG A 32 -11.455 -4.031 15.566 1.00 10.00 N ATOM 401 NH2 ARG A 32 -10.994 -1.800 15.213 1.00 10.00 N ATOM 0 H ARG A 32 -8.478 -8.696 11.198 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.439 -6.052 10.849 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.718 -7.329 12.933 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -7.994 -7.229 13.230 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.034 -5.510 14.532 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.189 -4.718 13.217 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.372 -4.643 11.933 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.179 -5.300 13.343 1.00 10.00 H new ATOM 0 HE ARG A 32 -10.093 -2.573 13.024 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -11.431 -5.000 15.247 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -11.852 -3.804 16.478 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -10.617 -1.057 14.625 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -11.392 -1.576 16.125 1.00 10.00 H new ATOM 415 N ASP A 33 -6.273 -6.484 10.660 1.00 10.00 N ATOM 416 CA ASP A 33 -5.029 -5.867 10.332 1.00 10.00 C ATOM 417 C ASP A 33 -5.103 -5.274 8.948 1.00 10.00 C ATOM 418 O ASP A 33 -4.614 -4.192 8.743 1.00 10.00 O ATOM 419 CB ASP A 33 -3.849 -6.829 10.484 1.00 10.00 C ATOM 420 CG ASP A 33 -3.536 -7.140 11.926 1.00 10.00 C ATOM 421 OD1 ASP A 33 -4.407 -7.691 12.632 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.422 -6.828 12.392 1.00 10.00 O ATOM 0 H ASP A 33 -6.270 -7.501 10.586 1.00 10.00 H new ATOM 0 HA ASP A 33 -4.848 -5.061 11.043 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.071 -7.756 9.956 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.968 -6.395 10.010 1.00 10.00 H new ATOM 427 N LEU A 34 -5.802 -5.946 7.999 1.00 10.00 N ATOM 428 CA LEU A 34 -5.947 -5.344 6.633 1.00 10.00 C ATOM 429 C LEU A 34 -6.852 -4.165 6.733 1.00 10.00 C ATOM 430 O LEU A 34 -6.665 -3.143 6.078 1.00 10.00 O ATOM 431 CB LEU A 34 -6.541 -6.291 5.557 1.00 10.00 C ATOM 432 CG LEU A 34 -5.694 -7.452 5.038 1.00 10.00 C ATOM 433 CD1 LEU A 34 -4.365 -6.970 4.472 1.00 10.00 C ATOM 434 CD2 LEU A 34 -5.495 -8.469 6.105 1.00 10.00 C ATOM 0 H LEU A 34 -6.253 -6.851 8.131 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.936 -5.095 6.311 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -7.462 -6.711 5.962 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.820 -5.679 4.699 1.00 10.00 H new ATOM 0 HG LEU A 34 -6.236 -7.922 4.217 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -3.791 -7.824 4.113 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -4.549 -6.283 3.646 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.802 -6.457 5.252 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.890 -9.289 5.718 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.986 -8.011 6.953 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -6.463 -8.853 6.427 1.00 10.00 H new ATOM 446 N LEU A 35 -7.827 -4.324 7.576 1.00 10.00 N ATOM 447 CA LEU A 35 -8.837 -3.320 7.812 1.00 10.00 C ATOM 448 C LEU A 35 -8.272 -2.161 8.600 1.00 10.00 C ATOM 449 O LEU A 35 -8.789 -1.060 8.545 1.00 10.00 O ATOM 450 CB LEU A 35 -10.074 -3.948 8.478 1.00 10.00 C ATOM 451 CG LEU A 35 -11.027 -4.755 7.550 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.887 -3.810 6.728 1.00 10.00 C ATOM 453 CD2 LEU A 35 -10.246 -5.658 6.602 1.00 10.00 C ATOM 0 H LEU A 35 -7.951 -5.169 8.133 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.163 -2.913 6.855 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.734 -4.609 9.275 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.650 -3.151 8.948 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.657 -5.374 8.189 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.549 -4.388 6.083 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.483 -3.187 7.395 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.247 -3.176 6.115 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.941 -6.208 5.968 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.589 -5.051 5.979 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.648 -6.362 7.180 1.00 10.00 H new ATOM 465 N ASP A 36 -7.226 -2.416 9.334 1.00 10.00 N ATOM 466 CA ASP A 36 -6.495 -1.312 9.989 1.00 10.00 C ATOM 467 C ASP A 36 -5.646 -0.613 8.957 1.00 10.00 C ATOM 468 O ASP A 36 -5.659 0.614 8.861 1.00 10.00 O ATOM 469 CB ASP A 36 -5.591 -1.763 11.141 1.00 10.00 C ATOM 470 CG ASP A 36 -4.913 -0.569 11.827 1.00 10.00 C ATOM 471 OD1 ASP A 36 -3.832 -0.122 11.392 1.00 10.00 O ATOM 472 OD2 ASP A 36 -5.463 -0.062 12.835 1.00 10.00 O ATOM 0 H ASP A 36 -6.849 -3.348 9.506 1.00 10.00 H new ATOM 0 HA ASP A 36 -7.248 -0.651 10.419 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -6.181 -2.317 11.872 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -4.831 -2.446 10.762 1.00 10.00 H new ATOM 477 N ILE A 37 -4.920 -1.425 8.177 1.00 10.00 N ATOM 478 CA ILE A 37 -4.073 -0.969 7.080 1.00 10.00 C ATOM 479 C ILE A 37 -4.816 0.024 6.205 1.00 10.00 C ATOM 480 O ILE A 37 -4.380 1.156 6.069 1.00 10.00 O ATOM 481 CB ILE A 37 -3.586 -2.185 6.219 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.494 -2.970 6.953 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.088 -1.742 4.842 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.275 -4.378 6.409 1.00 10.00 C ATOM 0 H ILE A 37 -4.909 -2.438 8.298 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.203 -0.472 7.508 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.445 -2.838 6.068 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.557 -2.417 6.890 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -2.755 -3.035 8.009 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.759 -2.614 4.276 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.896 -1.245 4.306 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.253 -1.051 4.962 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.487 -4.870 6.979 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.199 -4.950 6.498 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.982 -4.322 5.361 1.00 10.00 H new ATOM 496 N VAL A 38 -5.951 -0.399 5.662 1.00 10.00 N ATOM 497 CA VAL A 38 -6.758 0.448 4.788 1.00 10.00 C ATOM 498 C VAL A 38 -7.172 1.767 5.482 1.00 10.00 C ATOM 499 O VAL A 38 -6.971 2.854 4.927 1.00 10.00 O ATOM 500 CB VAL A 38 -7.997 -0.325 4.179 1.00 10.00 C ATOM 501 CG1 VAL A 38 -8.879 -0.920 5.240 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.809 0.547 3.241 1.00 10.00 C ATOM 0 H VAL A 38 -6.337 -1.331 5.812 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.124 0.723 3.945 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.579 -1.147 3.597 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.714 -1.439 4.770 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.303 -1.626 5.838 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.261 -0.127 5.883 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.649 -0.026 2.847 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.184 1.414 3.784 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.179 0.880 2.416 1.00 10.00 H new ATOM 512 N GLU A 39 -7.656 1.663 6.713 1.00 10.00 N ATOM 513 CA GLU A 39 -8.084 2.816 7.493 1.00 10.00 C ATOM 514 C GLU A 39 -6.952 3.803 7.733 1.00 10.00 C ATOM 515 O GLU A 39 -7.019 4.962 7.293 1.00 10.00 O ATOM 516 CB GLU A 39 -8.658 2.363 8.825 1.00 10.00 C ATOM 517 CG GLU A 39 -10.027 1.734 8.733 1.00 10.00 C ATOM 518 CD GLU A 39 -11.061 2.725 8.318 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.571 3.446 9.190 1.00 10.00 O ATOM 520 OE2 GLU A 39 -11.387 2.816 7.127 1.00 10.00 O ATOM 0 H GLU A 39 -7.763 0.773 7.200 1.00 10.00 H new ATOM 0 HA GLU A 39 -8.852 3.328 6.913 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -7.972 1.647 9.277 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -8.710 3.221 9.495 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.003 0.912 8.018 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.298 1.308 9.699 1.00 10.00 H new ATOM 527 N THR A 40 -5.910 3.329 8.387 1.00 10.00 N ATOM 528 CA THR A 40 -4.776 4.144 8.756 1.00 10.00 C ATOM 529 C THR A 40 -4.080 4.728 7.506 1.00 10.00 C ATOM 530 O THR A 40 -3.601 5.871 7.518 1.00 10.00 O ATOM 531 CB THR A 40 -3.779 3.306 9.591 1.00 10.00 C ATOM 532 OG1 THR A 40 -4.486 2.665 10.686 1.00 10.00 O ATOM 533 CG2 THR A 40 -2.678 4.196 10.152 1.00 10.00 C ATOM 0 H THR A 40 -5.829 2.355 8.679 1.00 10.00 H new ATOM 0 HA THR A 40 -5.132 4.980 9.358 1.00 10.00 H new ATOM 0 HB THR A 40 -3.328 2.550 8.948 1.00 10.00 H new ATOM 0 HG1 THR A 40 -4.148 1.753 10.804 1.00 10.00 H new ATOM 0 HG21 THR A 40 -1.985 3.592 10.737 1.00 10.00 H new ATOM 0 HG22 THR A 40 -2.141 4.672 9.331 1.00 10.00 H new ATOM 0 HG23 THR A 40 -3.119 4.962 10.790 1.00 10.00 H new ATOM 541 N SER A 41 -4.078 3.959 6.421 1.00 10.00 N ATOM 542 CA SER A 41 -3.479 4.382 5.174 1.00 10.00 C ATOM 543 C SER A 41 -4.197 5.637 4.662 1.00 10.00 C ATOM 544 O SER A 41 -3.566 6.665 4.441 1.00 10.00 O ATOM 545 CB SER A 41 -3.574 3.241 4.150 1.00 10.00 C ATOM 546 OG SER A 41 -2.790 3.467 3.007 1.00 10.00 O ATOM 0 H SER A 41 -4.493 3.028 6.389 1.00 10.00 H new ATOM 0 HA SER A 41 -2.427 4.624 5.328 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.261 2.309 4.621 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.614 3.113 3.851 1.00 10.00 H new ATOM 0 HG SER A 41 -3.280 3.173 2.211 1.00 10.00 H new ATOM 552 N GLN A 42 -5.519 5.556 4.544 1.00 10.00 N ATOM 553 CA GLN A 42 -6.347 6.677 4.066 1.00 10.00 C ATOM 554 C GLN A 42 -6.228 7.854 4.976 1.00 10.00 C ATOM 555 O GLN A 42 -6.006 8.963 4.535 1.00 10.00 O ATOM 556 CB GLN A 42 -7.793 6.270 4.042 1.00 10.00 C ATOM 557 CG GLN A 42 -8.095 5.226 3.028 1.00 10.00 C ATOM 558 CD GLN A 42 -9.358 4.475 3.303 1.00 10.00 C ATOM 559 OE1 GLN A 42 -9.693 4.326 4.549 1.00 10.00 O flip ATOM 560 NE2 GLN A 42 -10.043 4.014 2.382 1.00 10.00 N flip ATOM 0 H GLN A 42 -6.052 4.718 4.774 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.998 6.941 3.068 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.075 5.901 5.028 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.407 7.148 3.842 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.167 5.694 2.046 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.265 4.521 2.985 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.752 4.148 1.414 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.899 3.499 2.591 1.00 10.00 H new ATOM 569 N ALA A 43 -6.346 7.588 6.246 1.00 10.00 N ATOM 570 CA ALA A 43 -6.369 8.610 7.263 1.00 10.00 C ATOM 571 C ALA A 43 -5.076 9.437 7.307 1.00 10.00 C ATOM 572 O ALA A 43 -5.087 10.611 7.662 1.00 10.00 O ATOM 573 CB ALA A 43 -6.712 7.977 8.594 1.00 10.00 C ATOM 0 H ALA A 43 -6.431 6.640 6.614 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.145 9.333 7.014 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -6.731 8.744 9.368 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -7.691 7.502 8.530 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -5.961 7.228 8.845 1.00 10.00 H new ATOM 579 N HIS A 44 -3.972 8.840 6.926 1.00 10.00 N ATOM 580 CA HIS A 44 -2.730 9.581 6.867 1.00 10.00 C ATOM 581 C HIS A 44 -2.561 10.149 5.472 1.00 10.00 C ATOM 582 O HIS A 44 -2.175 11.289 5.322 1.00 10.00 O ATOM 583 CB HIS A 44 -1.534 8.691 7.210 1.00 10.00 C ATOM 584 CG HIS A 44 -0.199 9.405 7.419 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.782 8.915 8.243 1.00 10.00 N ATOM 586 CD2 HIS A 44 0.333 10.526 6.860 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.833 9.695 8.180 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.590 10.664 7.357 1.00 10.00 N ATOM 0 H HIS A 44 -3.905 7.859 6.656 1.00 10.00 H new ATOM 0 HA HIS A 44 -2.769 10.386 7.601 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -1.770 8.134 8.117 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -1.410 7.960 6.411 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.153 11.183 6.154 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.753 9.552 8.727 1.00 10.00 H new ATOM 0 HE2 HIS A 44 2.240 11.413 7.119 1.00 10.00 H new ATOM 597 N ASN A 45 -2.854 9.358 4.467 1.00 10.00 N ATOM 598 CA ASN A 45 -2.663 9.778 3.079 1.00 10.00 C ATOM 599 C ASN A 45 -3.522 10.943 2.711 1.00 10.00 C ATOM 600 O ASN A 45 -3.040 11.873 2.111 1.00 10.00 O ATOM 601 CB ASN A 45 -2.818 8.621 2.085 1.00 10.00 C ATOM 602 CG ASN A 45 -1.619 7.692 2.107 1.00 10.00 C ATOM 603 OD1 ASN A 45 -0.910 7.594 3.110 1.00 10.00 O ATOM 604 ND2 ASN A 45 -1.386 6.994 1.026 1.00 10.00 N ATOM 0 H ASN A 45 -3.227 8.415 4.574 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.628 10.114 3.009 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -3.719 8.056 2.323 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -2.949 9.021 1.080 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -0.599 6.346 0.997 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -1.991 7.098 0.212 1.00 10.00 H new ATOM 611 N ALA A 46 -4.769 10.926 3.126 1.00 10.00 N ATOM 612 CA ALA A 46 -5.669 12.031 2.860 1.00 10.00 C ATOM 613 C ALA A 46 -5.149 13.279 3.542 1.00 10.00 C ATOM 614 O ALA A 46 -5.117 14.359 2.953 1.00 10.00 O ATOM 615 CB ALA A 46 -7.062 11.711 3.362 1.00 10.00 C ATOM 0 H ALA A 46 -5.186 10.157 3.651 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.719 12.197 1.784 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.725 12.551 3.155 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.435 10.820 2.857 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.029 11.531 4.437 1.00 10.00 H new ATOM 621 N ARG A 47 -4.681 13.103 4.769 1.00 10.00 N ATOM 622 CA ARG A 47 -4.153 14.196 5.553 1.00 10.00 C ATOM 623 C ARG A 47 -2.893 14.755 4.918 1.00 10.00 C ATOM 624 O ARG A 47 -2.761 15.968 4.715 1.00 10.00 O ATOM 625 CB ARG A 47 -3.825 13.712 6.942 1.00 10.00 C ATOM 626 CG ARG A 47 -3.441 14.819 7.909 1.00 10.00 C ATOM 627 CD ARG A 47 -3.209 14.285 9.302 1.00 10.00 C ATOM 628 NE ARG A 47 -2.042 13.380 9.397 1.00 10.00 N ATOM 629 CZ ARG A 47 -2.056 12.187 10.016 1.00 10.00 C ATOM 630 NH1 ARG A 47 -3.208 11.614 10.336 1.00 10.00 N ATOM 631 NH2 ARG A 47 -0.919 11.554 10.264 1.00 10.00 N ATOM 0 H ARG A 47 -4.659 12.200 5.243 1.00 10.00 H new ATOM 0 HA ARG A 47 -4.908 14.981 5.596 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -4.687 13.177 7.342 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.005 12.996 6.882 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -2.538 15.316 7.554 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -4.230 15.571 7.934 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -3.067 15.122 9.985 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -4.101 13.752 9.632 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.169 13.682 8.964 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -4.088 12.079 10.112 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -3.214 10.709 10.806 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -0.031 11.972 9.985 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.931 10.649 10.734 1.00 10.00 H new ATOM 645 N ALA A 48 -1.980 13.870 4.580 1.00 10.00 N ATOM 646 CA ALA A 48 -0.723 14.285 4.023 1.00 10.00 C ATOM 647 C ALA A 48 -0.840 14.653 2.529 1.00 10.00 C ATOM 648 O ALA A 48 0.135 15.080 1.928 1.00 10.00 O ATOM 649 CB ALA A 48 0.374 13.264 4.282 1.00 10.00 C ATOM 0 H ALA A 48 -2.090 12.861 4.683 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.432 15.198 4.542 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.309 13.615 3.845 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.503 13.133 5.356 1.00 10.00 H new ATOM 0 HB3 ALA A 48 0.098 12.311 3.831 1.00 10.00 H new ATOM 655 N GLN A 49 -2.067 14.496 1.960 1.00 10.00 N ATOM 656 CA GLN A 49 -2.421 14.909 0.567 1.00 10.00 C ATOM 657 C GLN A 49 -1.850 13.948 -0.470 1.00 10.00 C ATOM 658 O GLN A 49 -1.676 14.274 -1.654 1.00 10.00 O ATOM 659 CB GLN A 49 -1.992 16.356 0.340 1.00 10.00 C ATOM 660 CG GLN A 49 -2.624 17.268 1.327 1.00 10.00 C ATOM 661 CD GLN A 49 -1.645 18.253 1.912 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.444 19.344 1.383 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.059 17.884 3.031 1.00 10.00 N ATOM 0 H GLN A 49 -2.850 14.074 2.460 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.503 14.859 0.443 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.907 16.432 0.414 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.264 16.664 -0.669 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.437 17.811 0.846 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.066 16.679 2.131 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.258 16.968 3.433 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.406 18.514 3.497 1.00 10.00 H new ATOM 672 N LEU A 50 -1.645 12.759 -0.010 1.00 10.00 N ATOM 673 CA LEU A 50 -1.143 11.645 -0.769 1.00 10.00 C ATOM 674 C LEU A 50 -2.260 10.887 -1.461 1.00 10.00 C ATOM 675 O LEU A 50 -3.351 10.716 -0.912 1.00 10.00 O ATOM 676 CB LEU A 50 -0.392 10.707 0.163 1.00 10.00 C ATOM 677 CG LEU A 50 1.081 11.009 0.405 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.334 12.442 0.796 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.644 10.094 1.442 1.00 10.00 C ATOM 0 H LEU A 50 -1.832 12.517 0.963 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.476 12.031 -1.540 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.901 10.707 1.127 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.470 9.696 -0.238 1.00 10.00 H new ATOM 0 HG LEU A 50 1.586 10.842 -0.546 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.402 12.593 0.954 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.988 13.103 0.001 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.795 12.669 1.716 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.697 10.327 1.600 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.100 10.225 2.377 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.547 9.061 1.107 1.00 10.00 H new ATOM 691 N THR A 51 -1.985 10.451 -2.670 1.00 10.00 N ATOM 692 CA THR A 51 -2.913 9.719 -3.481 1.00 10.00 C ATOM 693 C THR A 51 -2.302 8.352 -3.826 1.00 10.00 C ATOM 694 O THR A 51 -1.103 8.212 -3.818 1.00 10.00 O ATOM 695 CB THR A 51 -3.292 10.576 -4.689 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.131 10.942 -5.418 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.909 11.842 -4.161 1.00 10.00 C ATOM 0 H THR A 51 -1.083 10.603 -3.122 1.00 10.00 H new ATOM 0 HA THR A 51 -3.845 9.507 -2.956 1.00 10.00 H new ATOM 0 HB THR A 51 -3.969 10.019 -5.337 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.386 11.215 -6.324 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.194 12.483 -4.995 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.793 11.598 -3.572 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.187 12.364 -3.533 1.00 10.00 H new ATOM 705 N GLY A 52 -3.111 7.343 -4.041 1.00 10.00 N ATOM 706 CA GLY A 52 -2.562 6.004 -4.047 1.00 10.00 C ATOM 707 C GLY A 52 -3.471 4.927 -4.559 1.00 10.00 C ATOM 708 O GLY A 52 -4.612 5.171 -4.968 1.00 10.00 O ATOM 0 H GLY A 52 -4.115 7.413 -4.209 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.656 6.006 -4.653 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.265 5.749 -3.030 1.00 10.00 H new ATOM 712 N ALA A 53 -2.944 3.748 -4.573 1.00 10.00 N ATOM 713 CA ALA A 53 -3.691 2.536 -4.858 1.00 10.00 C ATOM 714 C ALA A 53 -2.911 1.342 -4.334 1.00 10.00 C ATOM 715 O ALA A 53 -1.692 1.422 -4.151 1.00 10.00 O ATOM 716 CB ALA A 53 -4.067 2.388 -6.327 1.00 10.00 C ATOM 0 H ALA A 53 -1.956 3.581 -4.383 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.648 2.595 -4.340 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.623 1.461 -6.469 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.686 3.232 -6.631 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.162 2.364 -6.934 1.00 10.00 H new ATOM 722 N LEU A 54 -3.608 0.274 -4.049 1.00 10.00 N ATOM 723 CA LEU A 54 -3.016 -0.908 -3.469 1.00 10.00 C ATOM 724 C LEU A 54 -3.458 -2.106 -4.255 1.00 10.00 C ATOM 725 O LEU A 54 -4.652 -2.278 -4.512 1.00 10.00 O ATOM 726 CB LEU A 54 -3.461 -1.012 -1.962 1.00 10.00 C ATOM 727 CG LEU A 54 -3.050 -2.247 -1.075 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.708 -3.556 -1.488 1.00 10.00 C ATOM 729 CD2 LEU A 54 -1.558 -2.407 -1.006 1.00 10.00 C ATOM 0 H LEU A 54 -4.612 0.197 -4.213 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.928 -0.857 -3.503 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -3.089 -0.120 -1.458 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -4.549 -0.957 -1.947 1.00 10.00 H new ATOM 0 HG LEU A 54 -3.429 -2.017 -0.079 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -3.373 -4.356 -0.828 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.791 -3.457 -1.417 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.432 -3.794 -2.515 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -1.313 -3.269 -0.386 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -1.161 -2.558 -2.010 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -1.116 -1.510 -0.572 1.00 10.00 H new ATOM 741 N PHE A 55 -2.510 -2.921 -4.613 1.00 10.00 N ATOM 742 CA PHE A 55 -2.763 -4.138 -5.302 1.00 10.00 C ATOM 743 C PHE A 55 -2.168 -5.284 -4.505 1.00 10.00 C ATOM 744 O PHE A 55 -0.971 -5.316 -4.215 1.00 10.00 O ATOM 745 CB PHE A 55 -2.200 -4.088 -6.724 1.00 10.00 C ATOM 746 CG PHE A 55 -2.826 -3.011 -7.575 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.076 -3.197 -8.136 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.166 -1.819 -7.813 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.656 -2.222 -8.919 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.747 -0.840 -8.600 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.991 -1.045 -9.153 1.00 10.00 C ATOM 0 H PHE A 55 -1.522 -2.749 -4.427 1.00 10.00 H new ATOM 0 HA PHE A 55 -3.838 -4.291 -5.395 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.124 -3.924 -6.676 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.354 -5.055 -7.203 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -4.606 -4.121 -7.958 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.190 -1.651 -7.382 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.634 -2.385 -9.348 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -2.223 0.087 -8.781 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.442 -0.281 -9.769 1.00 10.00 H new ATOM 761 N TYR A 56 -3.008 -6.174 -4.113 1.00 10.00 N ATOM 762 CA TYR A 56 -2.635 -7.322 -3.341 1.00 10.00 C ATOM 763 C TYR A 56 -2.831 -8.514 -4.262 1.00 10.00 C ATOM 764 O TYR A 56 -3.957 -8.888 -4.585 1.00 10.00 O ATOM 765 CB TYR A 56 -3.538 -7.386 -2.069 1.00 10.00 C ATOM 766 CG TYR A 56 -3.326 -8.547 -1.086 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.453 -9.879 -1.474 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.037 -8.290 0.251 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.290 -10.914 -0.571 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.868 -9.323 1.161 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.994 -10.634 0.744 1.00 10.00 C ATOM 772 OH TYR A 56 -2.829 -11.673 1.645 1.00 10.00 O ATOM 0 H TYR A 56 -4.005 -6.129 -4.323 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.604 -7.296 -2.989 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.404 -6.455 -1.518 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.576 -7.415 -2.399 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.684 -10.109 -2.504 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -2.943 -7.268 0.586 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -3.395 -11.938 -0.896 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.638 -9.103 2.193 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.623 -11.308 2.531 1.00 10.00 H new ATOM 782 N SER A 57 -1.759 -9.071 -4.718 1.00 10.00 N ATOM 783 CA SER A 57 -1.831 -10.101 -5.702 1.00 10.00 C ATOM 784 C SER A 57 -1.472 -11.463 -5.125 1.00 10.00 C ATOM 785 O SER A 57 -0.288 -11.770 -4.936 1.00 10.00 O ATOM 786 CB SER A 57 -0.922 -9.745 -6.893 1.00 10.00 C ATOM 787 OG SER A 57 -0.949 -10.742 -7.902 1.00 10.00 O ATOM 0 H SER A 57 -0.814 -8.828 -4.422 1.00 10.00 H new ATOM 0 HA SER A 57 -2.862 -10.170 -6.050 1.00 10.00 H new ATOM 0 HB2 SER A 57 -1.238 -8.792 -7.317 1.00 10.00 H new ATOM 0 HB3 SER A 57 0.101 -9.614 -6.541 1.00 10.00 H new ATOM 0 HG SER A 57 -0.361 -10.477 -8.640 1.00 10.00 H new ATOM 793 N GLN A 58 -2.498 -12.241 -4.751 1.00 10.00 N ATOM 794 CA GLN A 58 -2.346 -13.661 -4.324 1.00 10.00 C ATOM 795 C GLN A 58 -1.604 -13.829 -2.955 1.00 10.00 C ATOM 796 O GLN A 58 -1.616 -14.908 -2.350 1.00 10.00 O ATOM 797 CB GLN A 58 -1.633 -14.450 -5.457 1.00 10.00 C ATOM 798 CG GLN A 58 -1.481 -15.941 -5.238 1.00 10.00 C ATOM 799 CD GLN A 58 -2.805 -16.664 -5.162 1.00 10.00 C ATOM 800 OE1 GLN A 58 -3.385 -16.817 -4.080 1.00 10.00 O ATOM 801 NE2 GLN A 58 -3.283 -17.117 -6.282 1.00 10.00 N ATOM 0 H GLN A 58 -3.464 -11.913 -4.732 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.343 -14.066 -4.154 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -2.185 -14.294 -6.384 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -0.641 -14.022 -5.601 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -0.889 -16.363 -6.050 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -0.926 -16.113 -4.316 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -2.772 -16.968 -7.152 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -4.170 -17.621 -6.291 1.00 10.00 H new ATOM 810 N GLY A 59 -0.991 -12.779 -2.485 1.00 10.00 N ATOM 811 CA GLY A 59 -0.242 -12.825 -1.259 1.00 10.00 C ATOM 812 C GLY A 59 0.875 -11.827 -1.291 1.00 10.00 C ATOM 813 O GLY A 59 1.380 -11.400 -0.248 1.00 10.00 O ATOM 0 H GLY A 59 -0.996 -11.866 -2.941 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -0.900 -12.617 -0.415 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.161 -13.827 -1.109 1.00 10.00 H new ATOM 817 N VAL A 60 1.270 -11.437 -2.491 1.00 10.00 N ATOM 818 CA VAL A 60 2.296 -10.442 -2.630 1.00 10.00 C ATOM 819 C VAL A 60 1.659 -9.067 -2.634 1.00 10.00 C ATOM 820 O VAL A 60 0.528 -8.889 -3.119 1.00 10.00 O ATOM 821 CB VAL A 60 3.199 -10.629 -3.902 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.783 -12.024 -3.952 1.00 10.00 C ATOM 823 CG2 VAL A 60 2.470 -10.304 -5.199 1.00 10.00 C ATOM 0 H VAL A 60 0.895 -11.795 -3.369 1.00 10.00 H new ATOM 0 HA VAL A 60 2.964 -10.556 -1.776 1.00 10.00 H new ATOM 0 HB VAL A 60 4.013 -9.910 -3.810 1.00 10.00 H new ATOM 0 HG11 VAL A 60 4.404 -12.127 -4.842 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.391 -12.196 -3.064 1.00 10.00 H new ATOM 0 HG13 VAL A 60 2.976 -12.755 -3.986 1.00 10.00 H new ATOM 0 HG21 VAL A 60 3.145 -10.452 -6.042 1.00 10.00 H new ATOM 0 HG22 VAL A 60 1.607 -10.961 -5.306 1.00 10.00 H new ATOM 0 HG23 VAL A 60 2.136 -9.267 -5.179 1.00 10.00 H new ATOM 833 N PHE A 61 2.325 -8.137 -2.057 1.00 10.00 N ATOM 834 CA PHE A 61 1.848 -6.783 -2.002 1.00 10.00 C ATOM 835 C PHE A 61 2.514 -5.891 -3.032 1.00 10.00 C ATOM 836 O PHE A 61 3.717 -6.029 -3.311 1.00 10.00 O ATOM 837 CB PHE A 61 2.180 -6.187 -0.673 1.00 10.00 C ATOM 838 CG PHE A 61 1.109 -6.092 0.336 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.147 -5.574 0.025 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.388 -6.436 1.631 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.080 -5.419 1.016 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.473 -6.257 2.610 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.751 -5.754 2.305 1.00 10.00 C ATOM 0 H PHE A 61 3.226 -8.283 -1.602 1.00 10.00 H new ATOM 0 HA PHE A 61 0.775 -6.831 -2.188 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.994 -6.770 -0.241 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.565 -5.182 -0.846 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.383 -5.296 -0.992 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.353 -6.856 1.874 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.064 -5.037 0.785 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.715 -6.513 3.631 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.478 -5.615 3.091 1.00 10.00 H new ATOM 853 N PHE A 62 1.740 -4.985 -3.568 1.00 10.00 N ATOM 854 CA PHE A 62 2.237 -3.887 -4.342 1.00 10.00 C ATOM 855 C PHE A 62 1.422 -2.650 -4.018 1.00 10.00 C ATOM 856 O PHE A 62 0.210 -2.618 -4.225 1.00 10.00 O ATOM 857 CB PHE A 62 2.243 -4.143 -5.859 1.00 10.00 C ATOM 858 CG PHE A 62 2.673 -2.913 -6.644 1.00 10.00 C ATOM 859 CD1 PHE A 62 4.000 -2.515 -6.664 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.742 -2.145 -7.331 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.390 -1.380 -7.349 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.132 -1.010 -8.022 1.00 10.00 C ATOM 863 CZ PHE A 62 3.456 -0.629 -8.029 1.00 10.00 C ATOM 0 H PHE A 62 0.724 -4.993 -3.474 1.00 10.00 H new ATOM 0 HA PHE A 62 3.282 -3.748 -4.067 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.916 -4.970 -6.084 1.00 10.00 H new ATOM 0 HB3 PHE A 62 1.246 -4.447 -6.179 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.740 -3.100 -6.137 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.702 -2.436 -7.326 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.428 -1.081 -7.351 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.398 -0.424 -8.555 1.00 10.00 H new ATOM 0 HZ PHE A 62 3.761 0.257 -8.566 1.00 10.00 H new ATOM 873 N GLN A 63 2.057 -1.662 -3.479 1.00 10.00 N ATOM 874 CA GLN A 63 1.392 -0.422 -3.179 1.00 10.00 C ATOM 875 C GLN A 63 2.286 0.698 -3.544 1.00 10.00 C ATOM 876 O GLN A 63 3.500 0.583 -3.404 1.00 10.00 O ATOM 877 CB GLN A 63 1.045 -0.301 -1.704 1.00 10.00 C ATOM 878 CG GLN A 63 0.295 0.992 -1.370 1.00 10.00 C ATOM 879 CD GLN A 63 -0.022 1.146 0.081 1.00 10.00 C ATOM 880 OE1 GLN A 63 -1.181 0.696 0.476 1.00 10.00 O flip ATOM 881 NE2 GLN A 63 0.766 1.686 0.846 1.00 10.00 N flip ATOM 0 H GLN A 63 3.047 -1.684 -3.232 1.00 10.00 H new ATOM 0 HA GLN A 63 0.463 -0.394 -3.749 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.435 -1.155 -1.409 1.00 10.00 H new ATOM 0 HB3 GLN A 63 1.962 -0.345 -1.116 1.00 10.00 H new ATOM 0 HG2 GLN A 63 0.894 1.843 -1.694 1.00 10.00 H new ATOM 0 HG3 GLN A 63 -0.633 1.020 -1.940 1.00 10.00 H new ATOM 0 HE21 GLN A 63 1.663 2.025 0.499 1.00 10.00 H new ATOM 0 HE22 GLN A 63 0.526 1.797 1.831 1.00 10.00 H new ATOM 890 N TRP A 64 1.729 1.751 -4.032 1.00 10.00 N ATOM 891 CA TRP A 64 2.493 2.896 -4.269 1.00 10.00 C ATOM 892 C TRP A 64 1.653 4.103 -3.940 1.00 10.00 C ATOM 893 O TRP A 64 0.404 4.025 -3.942 1.00 10.00 O ATOM 894 CB TRP A 64 3.036 2.928 -5.697 1.00 10.00 C ATOM 895 CG TRP A 64 2.195 3.497 -6.758 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.507 4.580 -7.501 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.939 3.042 -7.206 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.538 4.817 -8.401 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.549 3.891 -8.243 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.112 2.000 -6.838 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.637 3.728 -8.920 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.061 1.841 -7.493 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.432 2.699 -8.529 1.00 10.00 C ATOM 0 H TRP A 64 0.741 1.830 -4.272 1.00 10.00 H new ATOM 0 HA TRP A 64 3.374 2.893 -3.627 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.972 3.486 -5.682 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.279 1.904 -5.981 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.405 5.170 -7.388 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.541 5.568 -9.091 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.395 1.326 -6.044 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.923 4.388 -9.726 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.722 1.036 -7.209 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.374 2.541 -9.032 1.00 10.00 H new ATOM 914 N LEU A 65 2.292 5.175 -3.633 1.00 10.00 N ATOM 915 CA LEU A 65 1.617 6.385 -3.286 1.00 10.00 C ATOM 916 C LEU A 65 2.271 7.576 -3.919 1.00 10.00 C ATOM 917 O LEU A 65 3.497 7.627 -4.064 1.00 10.00 O ATOM 918 CB LEU A 65 1.510 6.573 -1.766 1.00 10.00 C ATOM 919 CG LEU A 65 2.746 6.205 -0.957 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.846 7.082 0.252 1.00 10.00 C ATOM 921 CD2 LEU A 65 2.678 4.743 -0.505 1.00 10.00 C ATOM 0 H LEU A 65 3.310 5.243 -3.614 1.00 10.00 H new ATOM 0 HA LEU A 65 0.604 6.301 -3.678 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.267 7.617 -1.566 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.673 5.976 -1.404 1.00 10.00 H new ATOM 0 HG LEU A 65 3.622 6.346 -1.591 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.733 6.812 0.825 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.919 8.124 -0.059 1.00 10.00 H new ATOM 0 HD13 LEU A 65 1.959 6.950 0.872 1.00 10.00 H new ATOM 0 HD21 LEU A 65 3.570 4.499 0.072 1.00 10.00 H new ATOM 0 HD22 LEU A 65 1.793 4.594 0.114 1.00 10.00 H new ATOM 0 HD23 LEU A 65 2.622 4.094 -1.379 1.00 10.00 H new ATOM 933 N GLU A 66 1.449 8.498 -4.316 1.00 10.00 N ATOM 934 CA GLU A 66 1.852 9.735 -4.882 1.00 10.00 C ATOM 935 C GLU A 66 1.758 10.764 -3.763 1.00 10.00 C ATOM 936 O GLU A 66 0.696 10.913 -3.158 1.00 10.00 O ATOM 937 CB GLU A 66 0.834 10.176 -5.930 1.00 10.00 C ATOM 938 CG GLU A 66 0.383 9.173 -6.979 1.00 10.00 C ATOM 939 CD GLU A 66 -0.735 9.777 -7.832 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.447 10.635 -8.679 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.935 9.436 -7.631 1.00 10.00 O ATOM 0 H GLU A 66 0.436 8.398 -4.249 1.00 10.00 H new ATOM 0 HA GLU A 66 2.846 9.644 -5.321 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -0.054 10.523 -5.402 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.251 11.036 -6.453 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.225 8.893 -7.613 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.031 8.262 -6.496 1.00 10.00 H new ATOM 948 N GLY A 67 2.809 11.445 -3.481 1.00 10.00 N ATOM 949 CA GLY A 67 2.751 12.455 -2.472 1.00 10.00 C ATOM 950 C GLY A 67 3.978 13.304 -2.513 1.00 10.00 C ATOM 951 O GLY A 67 4.866 13.022 -3.283 1.00 10.00 O ATOM 0 H GLY A 67 3.718 11.327 -3.928 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.867 13.075 -2.620 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.655 11.992 -1.490 1.00 10.00 H new ATOM 955 N HIS A 68 4.035 14.338 -1.709 1.00 10.00 N ATOM 956 CA HIS A 68 5.248 15.161 -1.612 1.00 10.00 C ATOM 957 C HIS A 68 6.338 14.331 -0.925 1.00 10.00 C ATOM 958 O HIS A 68 6.088 13.814 0.124 1.00 10.00 O ATOM 959 CB HIS A 68 4.940 16.451 -0.817 1.00 10.00 C ATOM 960 CG HIS A 68 6.115 17.265 -0.442 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.760 18.141 -1.132 1.00 10.00 N flip ATOM 962 CD2 HIS A 68 6.753 17.173 0.774 1.00 10.00 C flip ATOM 963 CE1 HIS A 68 7.814 18.589 -0.373 1.00 10.00 C flip ATOM 964 NE2 HIS A 68 7.783 17.975 0.783 1.00 10.00 N flip ATOM 0 H HIS A 68 3.267 14.640 -1.109 1.00 10.00 H new ATOM 0 HA HIS A 68 5.595 15.457 -2.602 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.266 17.070 -1.410 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.405 16.177 0.092 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.449 16.537 1.592 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.545 19.323 -0.678 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.443 18.100 1.550 1.00 10.00 H new ATOM 973 N PRO A 69 7.572 14.230 -1.517 1.00 10.00 N ATOM 974 CA PRO A 69 8.680 13.327 -1.088 1.00 10.00 C ATOM 975 C PRO A 69 8.784 13.056 0.408 1.00 10.00 C ATOM 976 O PRO A 69 8.822 11.907 0.828 1.00 10.00 O ATOM 977 CB PRO A 69 9.942 14.038 -1.597 1.00 10.00 C ATOM 978 CG PRO A 69 9.452 15.265 -2.303 1.00 10.00 C ATOM 979 CD PRO A 69 8.026 15.007 -2.652 1.00 10.00 C ATOM 0 HA PRO A 69 8.514 12.329 -1.494 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.606 14.298 -0.772 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.509 13.397 -2.272 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.543 16.143 -1.664 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.042 15.460 -3.198 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.460 15.932 -2.765 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.928 14.457 -3.588 1.00 10.00 H new ATOM 987 N ALA A 70 8.788 14.088 1.208 1.00 10.00 N ATOM 988 CA ALA A 70 8.941 13.898 2.640 1.00 10.00 C ATOM 989 C ALA A 70 7.715 13.354 3.312 1.00 10.00 C ATOM 990 O ALA A 70 7.816 12.728 4.351 1.00 10.00 O ATOM 991 CB ALA A 70 9.427 15.123 3.320 1.00 10.00 C ATOM 0 H ALA A 70 8.689 15.058 0.907 1.00 10.00 H new ATOM 0 HA ALA A 70 9.709 13.131 2.742 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.525 14.931 4.388 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.397 15.406 2.911 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.716 15.934 3.161 1.00 10.00 H new ATOM 997 N ALA A 71 6.599 13.577 2.728 1.00 10.00 N ATOM 998 CA ALA A 71 5.367 13.036 3.229 1.00 10.00 C ATOM 999 C ALA A 71 5.378 11.569 2.972 1.00 10.00 C ATOM 1000 O ALA A 71 5.031 10.762 3.822 1.00 10.00 O ATOM 1001 CB ALA A 71 4.233 13.613 2.482 1.00 10.00 C ATOM 0 H ALA A 71 6.500 14.141 1.884 1.00 10.00 H new ATOM 0 HA ALA A 71 5.267 13.260 4.291 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.299 13.201 2.864 1.00 10.00 H new ATOM 0 HB2 ALA A 71 4.229 14.696 2.605 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.332 13.369 1.424 1.00 10.00 H new ATOM 1007 N VAL A 72 5.831 11.250 1.774 1.00 10.00 N ATOM 1008 CA VAL A 72 5.965 9.897 1.301 1.00 10.00 C ATOM 1009 C VAL A 72 6.900 9.183 2.226 1.00 10.00 C ATOM 1010 O VAL A 72 6.646 8.082 2.628 1.00 10.00 O ATOM 1011 CB VAL A 72 6.596 9.849 -0.116 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.333 8.572 -0.769 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.124 10.950 -0.979 1.00 10.00 C ATOM 0 H VAL A 72 6.122 11.948 1.090 1.00 10.00 H new ATOM 0 HA VAL A 72 4.975 9.442 1.266 1.00 10.00 H new ATOM 0 HB VAL A 72 7.670 9.966 0.025 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.788 8.569 -1.760 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.757 7.764 -0.173 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.257 8.426 -0.863 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.595 10.872 -1.959 1.00 10.00 H new ATOM 0 HG22 VAL A 72 5.042 10.887 -1.090 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.387 11.906 -0.526 1.00 10.00 H new ATOM 1023 N ALA A 73 7.978 9.852 2.574 1.00 10.00 N ATOM 1024 CA ALA A 73 8.964 9.301 3.458 1.00 10.00 C ATOM 1025 C ALA A 73 8.489 9.206 4.890 1.00 10.00 C ATOM 1026 O ALA A 73 8.891 8.312 5.598 1.00 10.00 O ATOM 1027 CB ALA A 73 10.217 10.059 3.403 1.00 10.00 C ATOM 0 H ALA A 73 8.189 10.795 2.247 1.00 10.00 H new ATOM 0 HA ALA A 73 9.142 8.286 3.103 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.942 9.614 4.085 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.612 10.035 2.387 1.00 10.00 H new ATOM 0 HB3 ALA A 73 10.030 11.092 3.696 1.00 10.00 H new ATOM 1033 N GLU A 74 7.689 10.146 5.328 1.00 10.00 N ATOM 1034 CA GLU A 74 7.048 10.071 6.651 1.00 10.00 C ATOM 1035 C GLU A 74 6.201 8.826 6.684 1.00 10.00 C ATOM 1036 O GLU A 74 6.199 8.054 7.658 1.00 10.00 O ATOM 1037 CB GLU A 74 6.180 11.302 6.891 1.00 10.00 C ATOM 1038 CG GLU A 74 5.375 11.256 8.172 1.00 10.00 C ATOM 1039 CD GLU A 74 4.444 12.423 8.295 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.444 12.482 7.547 1.00 10.00 O ATOM 1041 OE2 GLU A 74 4.663 13.271 9.152 1.00 10.00 O ATOM 0 H GLU A 74 7.455 10.984 4.796 1.00 10.00 H new ATOM 0 HA GLU A 74 7.805 10.037 7.434 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.819 12.185 6.909 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.497 11.420 6.050 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.801 10.330 8.206 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.053 11.242 9.025 1.00 10.00 H new ATOM 1048 N VAL A 75 5.503 8.636 5.614 1.00 10.00 N ATOM 1049 CA VAL A 75 4.759 7.463 5.381 1.00 10.00 C ATOM 1050 C VAL A 75 5.696 6.241 5.364 1.00 10.00 C ATOM 1051 O VAL A 75 5.466 5.309 6.112 1.00 10.00 O ATOM 1052 CB VAL A 75 3.921 7.615 4.091 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.387 6.309 3.613 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.767 8.562 4.354 1.00 10.00 C ATOM 0 H VAL A 75 5.439 9.320 4.860 1.00 10.00 H new ATOM 0 HA VAL A 75 4.050 7.299 6.192 1.00 10.00 H new ATOM 0 HB VAL A 75 4.574 8.011 3.314 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.805 6.464 2.705 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.215 5.633 3.402 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.750 5.873 4.382 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.173 8.672 3.447 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.141 8.160 5.151 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.156 9.535 4.654 1.00 10.00 H new ATOM 1064 N MET A 76 6.776 6.280 4.551 1.00 10.00 N ATOM 1065 CA MET A 76 7.783 5.224 4.521 1.00 10.00 C ATOM 1066 C MET A 76 8.284 4.899 5.900 1.00 10.00 C ATOM 1067 O MET A 76 8.224 3.771 6.289 1.00 10.00 O ATOM 1068 CB MET A 76 8.961 5.607 3.627 1.00 10.00 C ATOM 1069 CG MET A 76 8.623 5.890 2.164 1.00 10.00 C ATOM 1070 SD MET A 76 8.290 4.466 1.105 1.00 10.00 S ATOM 1071 CE MET A 76 6.839 3.756 1.833 1.00 10.00 C ATOM 0 H MET A 76 6.963 7.046 3.904 1.00 10.00 H new ATOM 0 HA MET A 76 7.299 4.339 4.109 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.439 6.492 4.047 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.695 4.802 3.661 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.750 6.542 2.139 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.451 6.449 1.728 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.265 3.235 1.067 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.130 3.050 2.610 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.228 4.545 2.270 1.00 10.00 H new ATOM 1081 N SER A 77 8.700 5.903 6.647 1.00 10.00 N ATOM 1082 CA SER A 77 9.220 5.717 8.002 1.00 10.00 C ATOM 1083 C SER A 77 8.215 4.935 8.865 1.00 10.00 C ATOM 1084 O SER A 77 8.590 4.036 9.605 1.00 10.00 O ATOM 1085 CB SER A 77 9.536 7.079 8.630 1.00 10.00 C ATOM 1086 OG SER A 77 10.383 7.863 7.770 1.00 10.00 O ATOM 0 H SER A 77 8.690 6.875 6.338 1.00 10.00 H new ATOM 0 HA SER A 77 10.140 5.135 7.951 1.00 10.00 H new ATOM 0 HB2 SER A 77 8.608 7.618 8.822 1.00 10.00 H new ATOM 0 HB3 SER A 77 10.025 6.934 9.593 1.00 10.00 H new ATOM 0 HG SER A 77 9.845 8.257 7.052 1.00 10.00 H new ATOM 1092 N HIS A 78 6.938 5.250 8.711 1.00 10.00 N ATOM 1093 CA HIS A 78 5.901 4.513 9.419 1.00 10.00 C ATOM 1094 C HIS A 78 5.718 3.080 8.864 1.00 10.00 C ATOM 1095 O HIS A 78 5.708 2.120 9.623 1.00 10.00 O ATOM 1096 CB HIS A 78 4.559 5.267 9.436 1.00 10.00 C ATOM 1097 CG HIS A 78 4.512 6.453 10.366 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.872 7.728 9.991 1.00 10.00 N ATOM 1099 CD2 HIS A 78 4.115 6.551 11.661 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.699 8.553 11.005 1.00 10.00 C ATOM 1101 NE2 HIS A 78 4.243 7.868 12.028 1.00 10.00 N ATOM 0 H HIS A 78 6.597 6.001 8.111 1.00 10.00 H new ATOM 0 HA HIS A 78 6.244 4.426 10.450 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.337 5.607 8.425 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.770 4.570 9.719 1.00 10.00 H new ATOM 0 HD1 HIS A 78 5.219 7.994 9.070 1.00 10.00 H new ATOM 0 HD2 HIS A 78 3.764 5.743 12.286 1.00 10.00 H new ATOM 0 HE1 HIS A 78 4.899 9.614 10.996 1.00 10.00 H new ATOM 1110 N ILE A 79 5.638 2.943 7.538 1.00 10.00 N ATOM 1111 CA ILE A 79 5.347 1.631 6.929 1.00 10.00 C ATOM 1112 C ILE A 79 6.580 0.698 6.920 1.00 10.00 C ATOM 1113 O ILE A 79 6.446 -0.529 6.829 1.00 10.00 O ATOM 1114 CB ILE A 79 4.860 1.722 5.455 1.00 10.00 C ATOM 1115 CG1 ILE A 79 3.944 2.886 5.207 1.00 10.00 C ATOM 1116 CG2 ILE A 79 4.094 0.474 5.129 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.462 2.952 3.762 1.00 10.00 C ATOM 0 H ILE A 79 5.767 3.705 6.872 1.00 10.00 H new ATOM 0 HA ILE A 79 4.553 1.230 7.559 1.00 10.00 H new ATOM 0 HB ILE A 79 5.747 1.849 4.834 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.083 2.814 5.871 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.462 3.812 5.456 1.00 10.00 H new ATOM 0 HG21 ILE A 79 3.744 0.521 4.098 1.00 10.00 H new ATOM 0 HG22 ILE A 79 4.742 -0.394 5.254 1.00 10.00 H new ATOM 0 HG23 ILE A 79 3.238 0.387 5.799 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.803 3.811 3.637 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.320 3.052 3.097 1.00 10.00 H new ATOM 0 HD13 ILE A 79 2.918 2.039 3.518 1.00 10.00 H new ATOM 1129 N GLN A 80 7.772 1.262 6.940 1.00 10.00 N ATOM 1130 CA GLN A 80 8.984 0.443 6.904 1.00 10.00 C ATOM 1131 C GLN A 80 9.273 -0.148 8.257 1.00 10.00 C ATOM 1132 O GLN A 80 10.007 -1.115 8.388 1.00 10.00 O ATOM 1133 CB GLN A 80 10.196 1.211 6.365 1.00 10.00 C ATOM 1134 CG GLN A 80 10.003 1.779 4.959 1.00 10.00 C ATOM 1135 CD GLN A 80 9.443 0.804 4.006 1.00 10.00 C ATOM 1136 OE1 GLN A 80 8.151 0.855 3.845 1.00 10.00 O flip ATOM 1137 NE2 GLN A 80 10.160 0.045 3.381 1.00 10.00 N flip ATOM 0 H GLN A 80 7.934 2.268 6.980 1.00 10.00 H new ATOM 0 HA GLN A 80 8.795 -0.372 6.206 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.426 2.030 7.047 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.060 0.547 6.361 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.343 2.644 5.012 1.00 10.00 H new ATOM 0 HG3 GLN A 80 10.963 2.133 4.583 1.00 10.00 H new ATOM 0 HE21 GLN A 80 11.167 0.044 3.544 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.754 -0.590 2.694 1.00 10.00 H new ATOM 1146 N ARG A 81 8.677 0.427 9.261 1.00 10.00 N ATOM 1147 CA ARG A 81 8.789 -0.085 10.592 1.00 10.00 C ATOM 1148 C ARG A 81 7.520 -0.857 10.922 1.00 10.00 C ATOM 1149 O ARG A 81 7.120 -0.969 12.091 1.00 10.00 O ATOM 1150 CB ARG A 81 9.014 1.064 11.575 1.00 10.00 C ATOM 1151 CG ARG A 81 10.255 1.892 11.288 1.00 10.00 C ATOM 1152 CD ARG A 81 11.521 1.043 11.230 1.00 10.00 C ATOM 1153 NE ARG A 81 12.694 1.844 10.861 1.00 10.00 N ATOM 1154 CZ ARG A 81 13.936 1.367 10.709 1.00 10.00 C ATOM 1155 NH1 ARG A 81 14.187 0.070 10.870 1.00 10.00 N ATOM 1156 NH2 ARG A 81 14.926 2.193 10.385 1.00 10.00 N ATOM 0 H ARG A 81 8.100 1.264 9.178 1.00 10.00 H new ATOM 0 HA ARG A 81 9.643 -0.757 10.671 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.142 1.718 11.558 1.00 10.00 H new ATOM 0 HB3 ARG A 81 9.088 0.656 12.583 1.00 10.00 H new ATOM 0 HG2 ARG A 81 10.128 2.415 10.340 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.367 2.653 12.060 1.00 10.00 H new ATOM 0 HD2 ARG A 81 11.690 0.575 12.200 1.00 10.00 H new ATOM 0 HD3 ARG A 81 11.387 0.239 10.507 1.00 10.00 H new ATOM 0 HE ARG A 81 12.552 2.842 10.708 1.00 10.00 H new ATOM 0 HH11 ARG A 81 13.430 -0.570 11.111 1.00 10.00 H new ATOM 0 HH12 ARG A 81 15.136 -0.284 10.752 1.00 10.00 H new ATOM 0 HH21 ARG A 81 14.738 3.187 10.253 1.00 10.00 H new ATOM 0 HH22 ARG A 81 15.873 1.833 10.268 1.00 10.00 H new ATOM 1170 N ASP A 82 6.903 -1.425 9.875 1.00 10.00 N ATOM 1171 CA ASP A 82 5.678 -2.193 10.029 1.00 10.00 C ATOM 1172 C ASP A 82 5.986 -3.596 10.555 1.00 10.00 C ATOM 1173 O ASP A 82 7.035 -3.821 11.176 1.00 10.00 O ATOM 1174 CB ASP A 82 4.910 -2.294 8.723 1.00 10.00 C ATOM 1175 CG ASP A 82 3.479 -2.733 8.878 1.00 10.00 C ATOM 1176 OD1 ASP A 82 2.732 -2.127 9.624 1.00 10.00 O ATOM 1177 OD2 ASP A 82 3.156 -3.785 8.312 1.00 10.00 O ATOM 0 H ASP A 82 7.240 -1.361 8.914 1.00 10.00 H new ATOM 0 HA ASP A 82 5.054 -1.665 10.750 1.00 10.00 H new ATOM 0 HB2 ASP A 82 4.928 -1.323 8.228 1.00 10.00 H new ATOM 0 HB3 ASP A 82 5.424 -2.996 8.066 1.00 10.00 H new ATOM 1182 N ARG A 83 5.123 -4.553 10.210 1.00 10.00 N ATOM 1183 CA ARG A 83 5.011 -5.811 10.904 1.00 10.00 C ATOM 1184 C ARG A 83 3.769 -6.589 10.419 1.00 10.00 C ATOM 1185 O ARG A 83 3.693 -7.802 10.581 1.00 10.00 O ATOM 1186 CB ARG A 83 4.912 -5.512 12.419 1.00 10.00 C ATOM 1187 CG ARG A 83 3.839 -4.467 12.806 1.00 10.00 C ATOM 1188 CD ARG A 83 2.507 -5.126 13.120 1.00 10.00 C ATOM 1189 NE ARG A 83 2.669 -6.137 14.174 1.00 10.00 N ATOM 1190 CZ ARG A 83 1.769 -7.037 14.551 1.00 10.00 C ATOM 1191 NH1 ARG A 83 0.544 -7.033 14.035 1.00 10.00 N ATOM 1192 NH2 ARG A 83 2.092 -7.929 15.466 1.00 10.00 N ATOM 0 H ARG A 83 4.477 -4.462 9.426 1.00 10.00 H new ATOM 0 HA ARG A 83 5.884 -6.432 10.702 1.00 10.00 H new ATOM 0 HB2 ARG A 83 4.699 -6.442 12.945 1.00 10.00 H new ATOM 0 HB3 ARG A 83 5.883 -5.162 12.770 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.178 -3.899 13.672 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.711 -3.756 11.990 1.00 10.00 H new ATOM 0 HD2 ARG A 83 1.788 -4.372 13.439 1.00 10.00 H new ATOM 0 HD3 ARG A 83 2.104 -5.591 12.221 1.00 10.00 H new ATOM 0 HE ARG A 83 3.563 -6.148 14.665 1.00 10.00 H new ATOM 0 HH11 ARG A 83 0.286 -6.332 13.340 1.00 10.00 H new ATOM 0 HH12 ARG A 83 -0.138 -7.731 14.334 1.00 10.00 H new ATOM 0 HH21 ARG A 83 3.026 -7.923 15.877 1.00 10.00 H new ATOM 0 HH22 ARG A 83 1.408 -8.625 15.763 1.00 10.00 H new ATOM 1206 N ARG A 84 2.785 -5.870 9.853 1.00 10.00 N ATOM 1207 CA ARG A 84 1.583 -6.486 9.305 1.00 10.00 C ATOM 1208 C ARG A 84 2.030 -7.242 8.054 1.00 10.00 C ATOM 1209 O ARG A 84 1.825 -8.403 7.903 1.00 10.00 O ATOM 1210 CB ARG A 84 0.564 -5.408 8.816 1.00 10.00 C ATOM 1211 CG ARG A 84 0.248 -4.222 9.740 1.00 10.00 C ATOM 1212 CD ARG A 84 -0.591 -4.567 10.951 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.992 -3.334 11.656 1.00 10.00 N ATOM 1214 CZ ARG A 84 -1.883 -3.238 12.657 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -2.459 -4.321 13.165 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -2.208 -2.048 13.127 1.00 10.00 N ATOM 0 H ARG A 84 2.807 -4.854 9.767 1.00 10.00 H new ATOM 0 HA ARG A 84 1.115 -7.109 10.067 1.00 10.00 H new ATOM 0 HB2 ARG A 84 0.936 -5.004 7.874 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -0.375 -5.916 8.596 1.00 10.00 H new ATOM 0 HG2 ARG A 84 1.187 -3.783 10.079 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -0.271 -3.457 9.162 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -1.476 -5.124 10.644 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -0.026 -5.212 11.623 1.00 10.00 H new ATOM 0 HE ARG A 84 -0.548 -2.467 11.353 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -2.227 -5.243 12.795 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -3.133 -4.231 13.925 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -1.783 -1.210 12.730 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -2.884 -1.967 13.887 1.00 10.00 H new ATOM 1230 N HIS A 85 2.684 -6.523 7.202 1.00 10.00 N ATOM 1231 CA HIS A 85 3.155 -6.991 5.957 1.00 10.00 C ATOM 1232 C HIS A 85 4.551 -7.503 6.065 1.00 10.00 C ATOM 1233 O HIS A 85 5.207 -7.357 7.086 1.00 10.00 O ATOM 1234 CB HIS A 85 3.029 -5.933 4.830 1.00 10.00 C ATOM 1235 CG HIS A 85 3.790 -4.609 4.946 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.665 -3.634 3.991 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.626 -4.059 5.890 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.367 -2.604 4.345 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.942 -2.833 5.472 1.00 10.00 N ATOM 0 H HIS A 85 2.912 -5.543 7.373 1.00 10.00 H new ATOM 0 HA HIS A 85 2.509 -7.822 5.674 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.342 -6.408 3.900 1.00 10.00 H new ATOM 0 HB3 HIS A 85 1.971 -5.693 4.725 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.964 -4.532 6.800 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.456 -1.689 3.778 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.546 -2.178 5.969 1.00 10.00 H new ATOM 1248 N SER A 86 4.998 -8.038 5.001 1.00 10.00 N ATOM 1249 CA SER A 86 6.216 -8.690 4.945 1.00 10.00 C ATOM 1250 C SER A 86 7.243 -8.034 4.015 1.00 10.00 C ATOM 1251 O SER A 86 7.002 -7.799 2.816 1.00 10.00 O ATOM 1252 CB SER A 86 5.943 -10.095 4.611 1.00 10.00 C ATOM 1253 OG SER A 86 5.462 -10.796 5.735 1.00 10.00 O ATOM 0 H SER A 86 4.495 -8.027 4.114 1.00 10.00 H new ATOM 0 HA SER A 86 6.702 -8.621 5.918 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.211 -10.145 3.805 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.853 -10.569 4.244 1.00 10.00 H new ATOM 0 HG SER A 86 5.586 -11.758 5.598 1.00 10.00 H new ATOM 1259 N ASN A 87 8.331 -7.669 4.634 1.00 10.00 N ATOM 1260 CA ASN A 87 9.592 -7.113 4.055 1.00 10.00 C ATOM 1261 C ASN A 87 9.554 -5.697 3.658 1.00 10.00 C ATOM 1262 O ASN A 87 10.477 -4.946 3.971 1.00 10.00 O ATOM 1263 CB ASN A 87 10.299 -7.972 2.991 1.00 10.00 C ATOM 1264 CG ASN A 87 10.652 -9.359 3.491 1.00 10.00 C ATOM 1265 OD1 ASN A 87 9.804 -10.327 3.236 1.00 10.00 O flip ATOM 1266 ND2 ASN A 87 11.707 -9.560 4.090 1.00 10.00 N flip ATOM 0 H ASN A 87 8.397 -7.747 5.649 1.00 10.00 H new ATOM 0 HA ASN A 87 10.225 -7.163 4.941 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.655 -8.060 2.116 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.208 -7.465 2.668 1.00 10.00 H new ATOM 0 HD21 ASN A 87 12.345 -8.786 4.273 1.00 10.00 H new ATOM 0 HD22 ASN A 87 11.944 -10.501 4.404 1.00 10.00 H new ATOM 1273 N VAL A 88 8.486 -5.347 3.053 1.00 10.00 N ATOM 1274 CA VAL A 88 8.239 -4.085 2.444 1.00 10.00 C ATOM 1275 C VAL A 88 9.429 -3.419 1.801 1.00 10.00 C ATOM 1276 O VAL A 88 10.186 -2.690 2.434 1.00 10.00 O ATOM 1277 CB VAL A 88 7.376 -3.155 3.290 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.947 -2.825 4.614 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.012 -1.916 2.544 1.00 10.00 C ATOM 0 H VAL A 88 7.693 -5.982 2.959 1.00 10.00 H new ATOM 0 HA VAL A 88 7.623 -4.340 1.581 1.00 10.00 H new ATOM 0 HB VAL A 88 6.469 -3.724 3.495 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.268 -2.160 5.147 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.084 -3.741 5.189 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.910 -2.331 4.482 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.397 -1.277 3.178 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.919 -1.382 2.261 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.453 -2.182 1.647 1.00 10.00 H new ATOM 1289 N GLU A 89 9.593 -3.665 0.551 1.00 10.00 N ATOM 1290 CA GLU A 89 10.713 -3.155 -0.101 1.00 10.00 C ATOM 1291 C GLU A 89 10.297 -2.321 -1.264 1.00 10.00 C ATOM 1292 O GLU A 89 9.886 -2.832 -2.320 1.00 10.00 O ATOM 1293 CB GLU A 89 11.616 -4.259 -0.499 1.00 10.00 C ATOM 1294 CG GLU A 89 13.035 -3.850 -0.677 1.00 10.00 C ATOM 1295 CD GLU A 89 13.628 -3.115 0.498 1.00 10.00 C ATOM 1296 OE1 GLU A 89 13.559 -1.873 0.540 1.00 10.00 O ATOM 1297 OE2 GLU A 89 14.239 -3.757 1.368 1.00 10.00 O ATOM 0 H GLU A 89 8.960 -4.217 -0.028 1.00 10.00 H new ATOM 0 HA GLU A 89 11.267 -2.508 0.579 1.00 10.00 H new ATOM 0 HB2 GLU A 89 11.567 -5.044 0.256 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.254 -4.691 -1.432 1.00 10.00 H new ATOM 0 HG2 GLU A 89 13.634 -4.739 -0.872 1.00 10.00 H new ATOM 0 HG3 GLU A 89 13.109 -3.216 -1.560 1.00 10.00 H new ATOM 1304 N ILE A 90 10.273 -1.058 -0.974 1.00 10.00 N ATOM 1305 CA ILE A 90 9.996 0.045 -1.886 1.00 10.00 C ATOM 1306 C ILE A 90 10.616 -0.239 -3.224 1.00 10.00 C ATOM 1307 O ILE A 90 9.926 -0.609 -4.161 1.00 10.00 O ATOM 1308 CB ILE A 90 10.527 1.409 -1.289 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.349 1.444 0.221 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.801 2.633 -1.878 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.933 1.226 0.660 1.00 10.00 C ATOM 0 H ILE A 90 10.458 -0.730 -0.026 1.00 10.00 H new ATOM 0 HA ILE A 90 8.918 0.140 -2.015 1.00 10.00 H new ATOM 0 HB ILE A 90 11.583 1.461 -1.555 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.983 0.680 0.672 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.694 2.407 0.598 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.204 3.543 -1.434 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.949 2.659 -2.958 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.735 2.564 -1.660 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.879 1.264 1.748 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.297 2.005 0.238 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.591 0.251 0.313 1.00 10.00 H new ATOM 1323 N LEU A 91 11.901 -0.125 -3.286 1.00 10.00 N ATOM 1324 CA LEU A 91 12.711 -0.398 -4.470 1.00 10.00 C ATOM 1325 C LEU A 91 12.538 0.662 -5.545 1.00 10.00 C ATOM 1326 O LEU A 91 13.443 0.887 -6.353 1.00 10.00 O ATOM 1327 CB LEU A 91 12.471 -1.812 -5.058 1.00 10.00 C ATOM 1328 CG LEU A 91 12.838 -3.005 -4.165 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.496 -4.313 -4.862 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.320 -2.967 -3.810 1.00 10.00 C ATOM 0 H LEU A 91 12.459 0.174 -2.486 1.00 10.00 H new ATOM 0 HA LEU A 91 13.744 -0.363 -4.124 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.416 -1.896 -5.320 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.038 -1.895 -5.985 1.00 10.00 H new ATOM 0 HG LEU A 91 12.258 -2.939 -3.244 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.762 -5.150 -4.216 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.427 -4.344 -5.074 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.053 -4.384 -5.796 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.564 -3.820 -3.176 1.00 10.00 H new ATOM 0 HD22 LEU A 91 14.914 -3.011 -4.723 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.543 -2.043 -3.277 1.00 10.00 H new ATOM 1342 N ALA A 92 11.407 1.321 -5.565 1.00 10.00 N ATOM 1343 CA ALA A 92 11.173 2.317 -6.563 1.00 10.00 C ATOM 1344 C ALA A 92 10.637 3.580 -5.956 1.00 10.00 C ATOM 1345 O ALA A 92 9.553 3.594 -5.397 1.00 10.00 O ATOM 1346 CB ALA A 92 10.220 1.790 -7.611 1.00 10.00 C ATOM 0 H ALA A 92 10.643 1.183 -4.904 1.00 10.00 H new ATOM 0 HA ALA A 92 12.126 2.553 -7.037 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.049 2.557 -8.366 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.650 0.906 -8.082 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.273 1.526 -7.141 1.00 10.00 H new ATOM 1352 N GLU A 93 11.410 4.618 -6.030 1.00 10.00 N ATOM 1353 CA GLU A 93 10.983 5.925 -5.609 1.00 10.00 C ATOM 1354 C GLU A 93 11.233 6.876 -6.772 1.00 10.00 C ATOM 1355 O GLU A 93 12.380 7.117 -7.161 1.00 10.00 O ATOM 1356 CB GLU A 93 11.718 6.362 -4.336 1.00 10.00 C ATOM 1357 CG GLU A 93 11.477 5.457 -3.159 1.00 10.00 C ATOM 1358 CD GLU A 93 12.302 5.812 -1.956 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.992 6.813 -1.272 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.293 5.101 -1.662 1.00 10.00 O ATOM 0 H GLU A 93 12.365 4.587 -6.387 1.00 10.00 H new ATOM 0 HA GLU A 93 9.923 5.924 -5.354 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.788 6.401 -4.540 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.406 7.373 -4.076 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.421 5.495 -2.891 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.695 4.429 -3.450 1.00 10.00 H new ATOM 1367 N GLU A 94 10.179 7.353 -7.356 1.00 10.00 N ATOM 1368 CA GLU A 94 10.249 8.150 -8.565 1.00 10.00 C ATOM 1369 C GLU A 94 9.568 9.500 -8.375 1.00 10.00 C ATOM 1370 O GLU A 94 8.500 9.583 -7.784 1.00 10.00 O ATOM 1371 CB GLU A 94 9.636 7.342 -9.720 1.00 10.00 C ATOM 1372 CG GLU A 94 8.252 6.781 -9.411 1.00 10.00 C ATOM 1373 CD GLU A 94 7.809 5.733 -10.389 1.00 10.00 C ATOM 1374 OE1 GLU A 94 7.255 6.078 -11.449 1.00 10.00 O ATOM 1375 OE2 GLU A 94 8.001 4.524 -10.106 1.00 10.00 O ATOM 0 H GLU A 94 9.230 7.205 -7.012 1.00 10.00 H new ATOM 0 HA GLU A 94 11.289 8.370 -8.806 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.571 7.979 -10.602 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.304 6.518 -9.970 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.255 6.355 -8.408 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.528 7.596 -9.409 1.00 10.00 H new ATOM 1382 N SER A 95 10.204 10.534 -8.836 1.00 10.00 N ATOM 1383 CA SER A 95 9.708 11.882 -8.705 1.00 10.00 C ATOM 1384 C SER A 95 8.573 12.138 -9.696 1.00 10.00 C ATOM 1385 O SER A 95 8.727 11.930 -10.907 1.00 10.00 O ATOM 1386 CB SER A 95 10.864 12.824 -8.946 1.00 10.00 C ATOM 1387 OG SER A 95 11.993 12.398 -8.192 1.00 10.00 O ATOM 0 H SER A 95 11.098 10.470 -9.323 1.00 10.00 H new ATOM 0 HA SER A 95 9.301 12.041 -7.707 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.111 12.848 -10.007 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.585 13.838 -8.660 1.00 10.00 H new ATOM 0 HG SER A 95 12.742 13.009 -8.351 1.00 10.00 H new ATOM 1393 N ILE A 96 7.440 12.564 -9.189 1.00 10.00 N ATOM 1394 CA ILE A 96 6.255 12.780 -10.024 1.00 10.00 C ATOM 1395 C ILE A 96 5.662 14.186 -9.966 1.00 10.00 C ATOM 1396 O ILE A 96 6.151 15.078 -9.265 1.00 10.00 O ATOM 1397 CB ILE A 96 5.142 11.802 -9.700 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.803 11.861 -8.232 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.528 10.392 -10.150 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.463 11.354 -7.866 1.00 10.00 C ATOM 0 H ILE A 96 7.302 12.772 -8.200 1.00 10.00 H new ATOM 0 HA ILE A 96 6.640 12.622 -11.032 1.00 10.00 H new ATOM 0 HB ILE A 96 4.244 12.083 -10.250 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.551 11.290 -7.681 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.884 12.896 -7.900 1.00 10.00 H new ATOM 0 HG21 ILE A 96 4.720 9.700 -9.911 1.00 10.00 H new ATOM 0 HG22 ILE A 96 5.703 10.389 -11.226 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.436 10.081 -9.634 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.322 11.442 -6.789 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.700 11.938 -8.381 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.378 10.307 -8.159 1.00 10.00 H new ATOM 1412 N ALA A 97 4.614 14.379 -10.754 1.00 10.00 N ATOM 1413 CA ALA A 97 3.820 15.600 -10.729 1.00 10.00 C ATOM 1414 C ALA A 97 2.483 15.304 -10.182 1.00 10.00 C ATOM 1415 O ALA A 97 1.642 16.197 -9.985 1.00 10.00 O ATOM 1416 CB ALA A 97 3.667 16.189 -12.069 1.00 10.00 C ATOM 0 H ALA A 97 4.289 13.690 -11.432 1.00 10.00 H new ATOM 0 HA ALA A 97 4.345 16.320 -10.101 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.068 17.097 -12.001 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.649 16.432 -12.474 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.170 15.475 -12.726 1.00 10.00 H new ATOM 1422 N LYS A 98 2.345 14.060 -9.893 1.00 10.00 N ATOM 1423 CA LYS A 98 1.212 13.456 -9.368 1.00 10.00 C ATOM 1424 C LYS A 98 0.003 13.597 -10.293 1.00 10.00 C ATOM 1425 O LYS A 98 0.169 13.805 -11.513 1.00 10.00 O ATOM 1426 CB LYS A 98 1.054 14.041 -8.018 1.00 10.00 C ATOM 1427 CG LYS A 98 0.259 13.287 -7.091 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.854 14.063 -6.511 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.516 14.348 -5.122 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.614 15.013 -4.391 1.00 10.00 N ATOM 0 H LYS A 98 3.103 13.393 -10.038 1.00 10.00 H new ATOM 0 HA LYS A 98 1.307 12.373 -9.284 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.045 14.179 -7.586 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.611 15.031 -8.123 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.144 12.410 -7.598 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.898 12.924 -6.286 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -1.005 14.989 -7.066 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.785 13.500 -6.571 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.261 13.417 -4.616 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.371 14.981 -5.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.591 14.725 -3.392 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.500 16.045 -4.456 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -2.526 14.738 -4.809 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.171 13.350 -9.735 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.452 13.477 -10.389 1.00 10.00 C ATOM 1446 C ARG A 99 -2.703 12.239 -11.229 1.00 10.00 C ATOM 1447 O ARG A 99 -3.165 12.308 -12.362 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.545 14.803 -11.203 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.866 15.573 -11.070 1.00 10.00 C ATOM 1450 CD ARG A 99 -5.070 14.814 -11.617 1.00 10.00 C ATOM 1451 NE ARG A 99 -4.952 14.544 -13.055 1.00 10.00 N ATOM 1452 CZ ARG A 99 -5.966 14.513 -13.923 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -7.203 14.790 -13.530 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -5.728 14.220 -15.192 1.00 10.00 N ATOM 0 H ARG A 99 -1.254 13.041 -8.767 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.244 13.541 -9.643 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.731 15.457 -10.891 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -2.384 14.574 -12.256 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -4.039 15.804 -10.019 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -3.777 16.524 -11.595 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -5.177 13.871 -11.080 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -5.976 15.391 -11.431 1.00 10.00 H new ATOM 0 HE ARG A 99 -4.017 14.365 -13.422 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -7.387 15.030 -12.556 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -7.970 14.763 -14.202 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -4.776 14.020 -15.499 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -6.496 14.194 -15.862 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.355 11.104 -10.675 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.613 9.847 -11.321 1.00 10.00 C ATOM 1470 C ARG A 100 -3.903 9.240 -10.788 1.00 10.00 C ATOM 1471 O ARG A 100 -4.857 9.050 -11.540 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.449 8.898 -11.118 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.133 9.447 -11.643 1.00 10.00 C ATOM 1474 CD ARG A 100 1.033 8.535 -11.292 1.00 10.00 C ATOM 1475 NE ARG A 100 0.869 7.176 -11.851 1.00 10.00 N ATOM 1476 CZ ARG A 100 1.757 6.174 -11.751 1.00 10.00 C ATOM 1477 NH1 ARG A 100 2.916 6.359 -11.109 1.00 10.00 N ATOM 1478 NH2 ARG A 100 1.484 4.991 -12.304 1.00 10.00 N ATOM 0 H ARG A 100 -1.889 11.028 -9.771 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.728 10.019 -12.391 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.347 8.680 -10.055 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.667 7.954 -11.617 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.192 9.563 -12.725 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.041 10.439 -11.225 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.959 8.971 -11.668 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.128 8.471 -10.208 1.00 10.00 H new ATOM 0 HE ARG A 100 0.005 6.983 -12.357 1.00 10.00 H new ATOM 0 HH11 ARG A 100 3.129 7.265 -10.692 1.00 10.00 H new ATOM 0 HH12 ARG A 100 3.587 5.594 -11.036 1.00 10.00 H new ATOM 0 HH21 ARG A 100 0.604 4.851 -12.800 1.00 10.00 H new ATOM 0 HH22 ARG A 100 2.155 4.227 -12.231 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.958 8.968 -9.483 1.00 10.00 N ATOM 1493 CA PHE A 101 -5.149 8.323 -8.920 1.00 10.00 C ATOM 1494 C PHE A 101 -6.034 9.252 -8.148 1.00 10.00 C ATOM 1495 O PHE A 101 -7.172 8.914 -7.829 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.821 7.049 -8.134 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.579 5.849 -9.007 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.508 5.803 -9.883 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.448 4.774 -8.965 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.310 4.707 -10.694 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.254 3.676 -9.779 1.00 10.00 C ATOM 1502 CZ PHE A 101 -4.183 3.642 -10.644 1.00 10.00 C ATOM 0 H PHE A 101 -3.218 9.176 -8.813 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.734 8.015 -9.787 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.937 7.227 -7.522 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.642 6.832 -7.451 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.821 6.635 -9.931 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.289 4.794 -8.287 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.469 4.682 -11.371 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.942 2.844 -9.737 1.00 10.00 H new ATOM 0 HZ PHE A 101 -4.028 2.784 -11.281 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.494 10.388 -7.832 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.183 11.507 -7.117 1.00 10.00 C ATOM 1514 C ALA A 102 -6.682 11.177 -5.675 1.00 10.00 C ATOM 1515 O ALA A 102 -7.056 12.080 -4.922 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.280 12.123 -7.977 1.00 10.00 C ATOM 0 H ALA A 102 -4.524 10.606 -8.058 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.405 12.253 -6.958 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.761 12.933 -7.428 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.845 12.516 -8.896 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.020 11.362 -8.223 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.704 9.928 -5.329 1.00 10.00 N ATOM 1523 CA GLY A 103 -6.988 9.476 -3.983 1.00 10.00 C ATOM 1524 C GLY A 103 -6.297 8.162 -3.790 1.00 10.00 C ATOM 1525 O GLY A 103 -5.875 7.580 -4.788 1.00 10.00 O ATOM 0 H GLY A 103 -6.522 9.167 -5.984 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.636 10.204 -3.252 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.062 9.369 -3.834 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.131 7.684 -2.570 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.552 6.369 -2.370 1.00 10.00 C ATOM 1531 C TRP A 104 -6.663 5.326 -2.403 1.00 10.00 C ATOM 1532 O TRP A 104 -7.756 5.559 -1.889 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.647 6.315 -1.099 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.156 4.948 -0.690 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -2.933 4.370 -0.913 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -4.899 4.008 0.049 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -2.913 3.116 -0.366 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.118 2.879 0.228 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.169 4.025 0.565 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.594 1.784 0.917 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.631 2.998 1.217 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.871 1.886 1.401 1.00 10.00 C ATOM 0 H TRP A 104 -6.385 8.178 -1.715 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.868 6.135 -3.186 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.780 6.954 -1.268 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.202 6.744 -0.265 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.112 4.833 -1.439 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.127 2.466 -0.397 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.791 4.898 0.429 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -3.995 0.898 1.066 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.633 3.030 1.618 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.289 1.054 1.948 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.401 4.215 -3.059 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.399 3.191 -3.287 1.00 10.00 C ATOM 1555 C HIS A 105 -6.916 1.858 -2.746 1.00 10.00 C ATOM 1556 O HIS A 105 -5.719 1.649 -2.620 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.644 3.087 -4.793 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.285 4.303 -5.406 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.559 5.357 -5.927 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.586 4.626 -5.595 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.389 6.266 -6.410 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.616 5.848 -6.222 1.00 10.00 N ATOM 0 H HIS A 105 -5.485 3.996 -3.451 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.324 3.452 -2.773 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.692 2.903 -5.291 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.277 2.221 -4.986 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.541 5.423 -5.937 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.441 4.033 -5.306 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -8.104 7.196 -6.880 1.00 10.00 H new ATOM 1571 N MET A 106 -7.827 0.961 -2.441 1.00 10.00 N ATOM 1572 CA MET A 106 -7.468 -0.347 -1.916 1.00 10.00 C ATOM 1573 C MET A 106 -8.333 -1.388 -2.614 1.00 10.00 C ATOM 1574 O MET A 106 -9.565 -1.242 -2.665 1.00 10.00 O ATOM 1575 CB MET A 106 -7.704 -0.395 -0.392 1.00 10.00 C ATOM 1576 CG MET A 106 -6.842 -1.405 0.410 1.00 10.00 C ATOM 1577 SD MET A 106 -7.043 -3.141 -0.056 1.00 10.00 S ATOM 1578 CE MET A 106 -6.011 -3.963 1.185 1.00 10.00 C ATOM 0 H MET A 106 -8.830 1.111 -2.547 1.00 10.00 H new ATOM 0 HA MET A 106 -6.413 -0.548 -2.100 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.527 0.602 0.012 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.754 -0.628 -0.216 1.00 10.00 H new ATOM 0 HG2 MET A 106 -5.793 -1.134 0.292 1.00 10.00 H new ATOM 0 HG3 MET A 106 -7.082 -1.301 1.468 1.00 10.00 H new ATOM 0 HE1 MET A 106 -6.037 -5.041 1.024 1.00 10.00 H new ATOM 0 HE2 MET A 106 -4.984 -3.608 1.098 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.390 -3.736 2.181 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.681 -2.418 -3.142 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.313 -3.530 -3.885 1.00 10.00 C ATOM 1590 C GLN A 107 -9.502 -4.160 -3.129 1.00 10.00 C ATOM 1591 O GLN A 107 -10.491 -4.566 -3.752 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.239 -4.583 -4.185 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.718 -5.827 -4.928 1.00 10.00 C ATOM 1594 CD GLN A 107 -6.570 -6.766 -5.229 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -5.440 -6.330 -5.431 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -6.831 -8.041 -5.262 1.00 10.00 N ATOM 0 H GLN A 107 -6.668 -2.516 -3.069 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.728 -3.131 -4.811 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -6.450 -4.113 -4.773 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.791 -4.896 -3.242 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -8.466 -6.345 -4.328 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -8.203 -5.533 -5.859 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -7.780 -8.372 -5.090 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -6.086 -8.709 -5.460 1.00 10.00 H new