USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=17 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 77 SER OG : rot -73:sc= 0.361 USER MOD Set 1.2: A 78 HIS : no HD1:sc= -0.967 K(o=-0.61,f=-2.8!) USER MOD Set 2.1: A 41 SER OG : rot -141:sc= 0.594 USER MOD Set 2.2: A 45 ASN : amide:sc= -0.561 K(o=0.033,f=-0.68!) USER MOD Set 3.1: A 21 TYR OH : rot 29:sc= 0.101 USER MOD Set 3.2: A 63 GLN : amide:sc= -0.346 K(o=-7.4,f=-5) USER MOD Set 3.3: A 85 HIS : no HD1:sc= -7.19! C(o=-7.4!,f=-5!) USER MOD Single : A 18 SER OG : rot 36:sc= -0.197 USER MOD Single : A 19 CYS SG : rot -113:sc= -0.794 USER MOD Single : A 20 CYS SG : rot -78:sc= 0.717 USER MOD Single : A 23 SER OG : rot 90:sc= 0.433 USER MOD Single : A 30 THR OG1 : rot 140:sc= 1.47 USER MOD Single : A 40 THR OG1 : rot 159:sc= 1.25 USER MOD Single : A 42 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.13) USER MOD Single : A 44 HIS : no HD1:sc= -0.165 K(o=-0.16,f=-1.1) USER MOD Single : A 49 GLN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 51 THR OG1 : rot 135:sc= -1.68! 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=-0.49) USER MOD Single : A 68 HIS : no HD1:sc= -1.73! K(o=-1.7!,f=-0.19) USER MOD Single : A 76 MET CE :methyl 145:sc= -2.06! (180deg=-4.94!) USER MOD Single : A 80 GLN : amide:sc= -8.27! C(o=-8.3!,f=-3.5!) USER MOD Single : A 86 SER OG : rot -38:sc= 0.00473 USER MOD Single : A 87 ASN : amide:sc= -2.62! C(o=-2.6!,f=-4.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -118:sc= 1.22 (180deg=0.177) USER MOD Single : A 105 HIS : no HD1:sc= -0.0209 K(o=-0.021,f=-0.63) USER MOD Single : A 106 MET CE :methyl -160:sc= 0 (180deg=-0.727) USER MOD Single : A 107 GLN : amide:sc= -1.81! C(o=-1.8!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.561 18.630 -6.606 1.00 10.00 N ATOM 139 CA ASP A 15 7.060 18.129 -5.378 1.00 10.00 C ATOM 140 C ASP A 15 6.293 16.949 -4.923 1.00 10.00 C ATOM 141 O ASP A 15 5.954 16.801 -3.762 1.00 10.00 O ATOM 142 CB ASP A 15 7.078 19.224 -4.333 1.00 10.00 C ATOM 143 CG ASP A 15 5.725 19.883 -4.146 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.253 20.570 -5.090 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.092 19.707 -3.090 1.00 10.00 O ATOM 0 HA ASP A 15 8.086 17.796 -5.535 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.408 18.806 -3.382 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.809 19.981 -4.619 1.00 10.00 H new ATOM 150 N LEU A 16 6.069 16.111 -5.828 1.00 10.00 N ATOM 151 CA LEU A 16 5.486 14.875 -5.594 1.00 10.00 C ATOM 152 C LEU A 16 6.461 13.830 -5.941 1.00 10.00 C ATOM 153 O LEU A 16 7.366 14.034 -6.737 1.00 10.00 O ATOM 154 CB LEU A 16 4.180 14.668 -6.331 1.00 10.00 C ATOM 155 CG LEU A 16 3.072 15.697 -6.127 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.843 16.094 -4.680 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.215 16.863 -7.051 1.00 10.00 C ATOM 0 H LEU A 16 6.299 16.275 -6.808 1.00 10.00 H new ATOM 0 HA LEU A 16 5.224 14.823 -4.537 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.402 14.623 -7.397 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.786 13.692 -6.046 1.00 10.00 H new ATOM 0 HG LEU A 16 2.147 15.191 -6.405 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.039 16.828 -4.627 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.569 15.213 -4.100 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.757 16.526 -4.272 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.406 17.571 -6.872 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.172 17.353 -6.873 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.172 16.516 -8.084 1.00 10.00 H new ATOM 169 N VAL A 17 6.278 12.742 -5.342 1.00 10.00 N ATOM 170 CA VAL A 17 7.082 11.629 -5.421 1.00 10.00 C ATOM 171 C VAL A 17 6.186 10.419 -5.205 1.00 10.00 C ATOM 172 O VAL A 17 5.166 10.519 -4.524 1.00 10.00 O ATOM 173 CB VAL A 17 8.211 11.672 -4.342 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.774 10.326 -4.109 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.339 12.619 -4.714 1.00 10.00 C ATOM 0 H VAL A 17 5.480 12.599 -4.723 1.00 10.00 H new ATOM 0 HA VAL A 17 7.574 11.584 -6.392 1.00 10.00 H new ATOM 0 HB VAL A 17 7.741 12.041 -3.430 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.558 10.385 -3.354 1.00 10.00 H new ATOM 0 HG12 VAL A 17 7.986 9.657 -3.763 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.194 9.942 -5.038 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.096 12.610 -3.929 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.787 12.299 -5.655 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.944 13.629 -4.825 1.00 10.00 H new ATOM 185 N SER A 18 6.524 9.346 -5.810 1.00 10.00 N ATOM 186 CA SER A 18 5.824 8.131 -5.635 1.00 10.00 C ATOM 187 C SER A 18 6.795 7.037 -5.281 1.00 10.00 C ATOM 188 O SER A 18 7.708 6.718 -6.072 1.00 10.00 O ATOM 189 CB SER A 18 5.011 7.764 -6.882 1.00 10.00 C ATOM 190 OG SER A 18 5.845 7.643 -8.020 1.00 10.00 O ATOM 0 H SER A 18 7.312 9.285 -6.455 1.00 10.00 H new ATOM 0 HA SER A 18 5.113 8.255 -4.818 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.484 6.825 -6.712 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.253 8.526 -7.063 1.00 10.00 H new ATOM 0 HG SER A 18 6.706 7.258 -7.755 1.00 10.00 H new ATOM 196 N CYS A 19 6.673 6.543 -4.094 1.00 10.00 N ATOM 197 CA CYS A 19 7.431 5.419 -3.672 1.00 10.00 C ATOM 198 C CYS A 19 6.608 4.195 -3.987 1.00 10.00 C ATOM 199 O CYS A 19 5.485 4.059 -3.497 1.00 10.00 O ATOM 200 CB CYS A 19 7.750 5.519 -2.188 1.00 10.00 C ATOM 201 SG CYS A 19 8.762 6.958 -1.750 1.00 10.00 S ATOM 0 H CYS A 19 6.039 6.913 -3.386 1.00 10.00 H new ATOM 0 HA CYS A 19 8.389 5.369 -4.189 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.816 5.560 -1.627 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.270 4.613 -1.876 1.00 10.00 H new ATOM 0 HG CYS A 19 9.929 6.559 -1.338 1.00 10.00 H new ATOM 207 N CYS A 20 7.138 3.350 -4.817 1.00 10.00 N ATOM 208 CA CYS A 20 6.432 2.211 -5.321 1.00 10.00 C ATOM 209 C CYS A 20 7.107 1.009 -4.794 1.00 10.00 C ATOM 210 O CYS A 20 8.254 0.786 -5.125 1.00 10.00 O ATOM 211 CB CYS A 20 6.492 2.234 -6.845 1.00 10.00 C ATOM 212 SG CYS A 20 6.034 3.837 -7.566 1.00 10.00 S ATOM 0 H CYS A 20 8.091 3.434 -5.170 1.00 10.00 H new ATOM 0 HA CYS A 20 5.386 2.215 -5.015 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.502 1.976 -7.165 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.827 1.465 -7.238 1.00 10.00 H new ATOM 0 HG CYS A 20 4.741 3.967 -7.549 1.00 10.00 H new ATOM 218 N TYR A 21 6.438 0.238 -3.962 1.00 10.00 N ATOM 219 CA TYR A 21 7.126 -0.823 -3.318 1.00 10.00 C ATOM 220 C TYR A 21 6.543 -2.199 -3.531 1.00 10.00 C ATOM 221 O TYR A 21 5.448 -2.381 -4.064 1.00 10.00 O ATOM 222 CB TYR A 21 7.299 -0.543 -1.836 1.00 10.00 C ATOM 223 CG TYR A 21 6.152 -0.618 -0.897 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.430 -1.783 -0.663 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.859 0.481 -0.166 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.441 -1.802 0.283 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.900 0.478 0.753 1.00 10.00 C ATOM 228 CZ TYR A 21 4.182 -0.661 0.988 1.00 10.00 C ATOM 229 OH TYR A 21 3.235 -0.669 1.949 1.00 10.00 O ATOM 0 H TYR A 21 5.449 0.333 -3.731 1.00 10.00 H new ATOM 0 HA TYR A 21 8.099 -0.849 -3.808 1.00 10.00 H new ATOM 0 HB2 TYR A 21 8.056 -1.235 -1.468 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.716 0.460 -1.749 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.650 -2.676 -1.229 1.00 10.00 H new ATOM 0 HD2 TYR A 21 6.421 1.388 -0.334 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.875 -2.703 0.469 1.00 10.00 H new ATOM 0 HE2 TYR A 21 4.688 1.376 1.315 1.00 10.00 H new ATOM 0 HH TYR A 21 3.166 -1.568 2.333 1.00 10.00 H new ATOM 239 N ARG A 22 7.280 -3.136 -3.036 1.00 10.00 N ATOM 240 CA ARG A 22 7.004 -4.529 -3.073 1.00 10.00 C ATOM 241 C ARG A 22 6.826 -5.065 -1.638 1.00 10.00 C ATOM 242 O ARG A 22 7.507 -4.633 -0.710 1.00 10.00 O ATOM 243 CB ARG A 22 8.229 -5.163 -3.703 1.00 10.00 C ATOM 244 CG ARG A 22 8.474 -6.601 -3.357 1.00 10.00 C ATOM 245 CD ARG A 22 9.894 -6.927 -3.677 1.00 10.00 C ATOM 246 NE ARG A 22 10.294 -8.227 -3.151 1.00 10.00 N ATOM 247 CZ ARG A 22 11.390 -8.908 -3.530 1.00 10.00 C ATOM 248 NH1 ARG A 22 12.221 -8.390 -4.427 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.668 -10.080 -2.983 1.00 10.00 N ATOM 0 H ARG A 22 8.158 -2.929 -2.559 1.00 10.00 H new ATOM 0 HA ARG A 22 6.093 -4.750 -3.629 1.00 10.00 H new ATOM 0 HB2 ARG A 22 8.141 -5.080 -4.786 1.00 10.00 H new ATOM 0 HB3 ARG A 22 9.105 -4.585 -3.410 1.00 10.00 H new ATOM 0 HG2 ARG A 22 8.274 -6.776 -2.300 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.800 -7.247 -3.920 1.00 10.00 H new ATOM 0 HD2 ARG A 22 10.032 -6.916 -4.758 1.00 10.00 H new ATOM 0 HD3 ARG A 22 10.544 -6.155 -3.265 1.00 10.00 H new ATOM 0 HE ARG A 22 9.697 -8.652 -2.442 1.00 10.00 H new ATOM 0 HH11 ARG A 22 12.029 -7.473 -4.831 1.00 10.00 H new ATOM 0 HH12 ARG A 22 13.051 -8.909 -4.712 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.050 -10.470 -2.271 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.500 -10.594 -3.273 1.00 10.00 H new ATOM 263 N SER A 23 5.896 -5.952 -1.457 1.00 10.00 N ATOM 264 CA SER A 23 5.712 -6.652 -0.218 1.00 10.00 C ATOM 265 C SER A 23 5.187 -8.038 -0.495 1.00 10.00 C ATOM 266 O SER A 23 4.395 -8.228 -1.374 1.00 10.00 O ATOM 267 CB SER A 23 4.750 -5.903 0.697 1.00 10.00 C ATOM 268 OG SER A 23 5.310 -4.698 1.138 1.00 10.00 O ATOM 0 H SER A 23 5.228 -6.217 -2.181 1.00 10.00 H new ATOM 0 HA SER A 23 6.675 -6.720 0.288 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.820 -5.702 0.166 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.499 -6.527 1.555 1.00 10.00 H new ATOM 0 HG SER A 23 5.080 -3.981 0.510 1.00 10.00 H new ATOM 274 N LEU A 24 5.675 -8.997 0.196 1.00 10.00 N ATOM 275 CA LEU A 24 5.134 -10.372 0.040 1.00 10.00 C ATOM 276 C LEU A 24 4.162 -10.721 1.171 1.00 10.00 C ATOM 277 O LEU A 24 4.333 -11.738 1.800 1.00 10.00 O ATOM 278 CB LEU A 24 6.263 -11.434 -0.048 1.00 10.00 C ATOM 279 CG LEU A 24 7.049 -11.565 -1.375 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.124 -11.979 -2.505 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.780 -10.282 -1.733 1.00 10.00 C ATOM 0 H LEU A 24 6.433 -8.902 0.872 1.00 10.00 H new ATOM 0 HA LEU A 24 4.587 -10.388 -0.903 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.981 -11.221 0.744 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.823 -12.406 0.174 1.00 10.00 H new ATOM 0 HG LEU A 24 7.801 -12.341 -1.230 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.695 -12.066 -3.429 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.668 -12.940 -2.268 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.344 -11.228 -2.630 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.318 -10.419 -2.671 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.060 -9.471 -1.843 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.488 -10.034 -0.942 1.00 10.00 H new ATOM 293 N ALA A 25 3.105 -9.865 1.346 1.00 10.00 N ATOM 294 CA ALA A 25 2.106 -9.881 2.494 1.00 10.00 C ATOM 295 C ALA A 25 2.125 -11.120 3.349 1.00 10.00 C ATOM 296 O ALA A 25 1.837 -12.235 2.866 1.00 10.00 O ATOM 297 CB ALA A 25 0.691 -9.644 2.014 1.00 10.00 C ATOM 0 H ALA A 25 2.909 -9.119 0.679 1.00 10.00 H new ATOM 0 HA ALA A 25 2.440 -9.058 3.126 1.00 10.00 H new ATOM 0 HB1 ALA A 25 0.010 -9.663 2.865 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.631 -8.673 1.523 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.411 -10.425 1.307 1.00 10.00 H new ATOM 303 N ALA A 26 2.406 -10.907 4.630 1.00 10.00 N ATOM 304 CA ALA A 26 2.547 -11.935 5.562 1.00 10.00 C ATOM 305 C ALA A 26 1.227 -12.666 5.734 1.00 10.00 C ATOM 306 O ALA A 26 0.221 -12.066 6.077 1.00 10.00 O ATOM 307 CB ALA A 26 2.982 -11.322 6.873 1.00 10.00 C ATOM 0 H ALA A 26 2.539 -9.976 5.024 1.00 10.00 H new ATOM 0 HA ALA A 26 3.291 -12.656 5.221 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.100 -12.107 7.620 1.00 10.00 H new ATOM 0 HB2 ALA A 26 3.932 -10.806 6.736 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.228 -10.610 7.210 1.00 10.00 H new ATOM 313 N PRO A 27 1.203 -13.964 5.490 1.00 10.00 N ATOM 314 CA PRO A 27 0.004 -14.814 5.700 1.00 10.00 C ATOM 315 C PRO A 27 -0.422 -14.880 7.175 1.00 10.00 C ATOM 316 O PRO A 27 -1.459 -15.443 7.523 1.00 10.00 O ATOM 317 CB PRO A 27 0.493 -16.183 5.242 1.00 10.00 C ATOM 318 CG PRO A 27 1.971 -16.080 5.412 1.00 10.00 C ATOM 319 CD PRO A 27 2.301 -14.754 4.906 1.00 10.00 C ATOM 0 HA PRO A 27 -0.869 -14.436 5.169 1.00 10.00 H new ATOM 0 HB2 PRO A 27 0.071 -16.986 5.846 1.00 10.00 H new ATOM 0 HB3 PRO A 27 0.218 -16.385 4.207 1.00 10.00 H new ATOM 0 HG2 PRO A 27 2.260 -16.190 6.457 1.00 10.00 H new ATOM 0 HG3 PRO A 27 2.491 -16.859 4.854 1.00 10.00 H new ATOM 0 HD2 PRO A 27 3.281 -14.414 5.242 1.00 10.00 H new ATOM 0 HD3 PRO A 27 2.306 -14.715 3.817 1.00 10.00 H new ATOM 327 N ASP A 28 0.378 -14.279 7.999 1.00 10.00 N ATOM 328 CA ASP A 28 0.214 -14.264 9.434 1.00 10.00 C ATOM 329 C ASP A 28 -0.483 -13.001 9.893 1.00 10.00 C ATOM 330 O ASP A 28 -0.685 -12.788 11.095 1.00 10.00 O ATOM 331 CB ASP A 28 1.577 -14.344 10.113 1.00 10.00 C ATOM 332 CG ASP A 28 2.269 -15.670 9.943 1.00 10.00 C ATOM 333 OD1 ASP A 28 1.965 -16.619 10.698 1.00 10.00 O ATOM 334 OD2 ASP A 28 3.130 -15.796 9.046 1.00 10.00 O ATOM 0 H ASP A 28 1.199 -13.762 7.686 1.00 10.00 H new ATOM 0 HA ASP A 28 -0.396 -15.125 9.707 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.217 -13.558 9.713 1.00 10.00 H new ATOM 0 HB3 ASP A 28 1.454 -14.144 11.177 1.00 10.00 H new ATOM 339 N LEU A 29 -0.849 -12.164 8.952 1.00 10.00 N ATOM 340 CA LEU A 29 -1.462 -10.894 9.264 1.00 10.00 C ATOM 341 C LEU A 29 -2.846 -11.040 9.797 1.00 10.00 C ATOM 342 O LEU A 29 -3.589 -11.959 9.438 1.00 10.00 O ATOM 343 CB LEU A 29 -1.518 -9.976 8.070 1.00 10.00 C ATOM 344 CG LEU A 29 -0.205 -9.534 7.486 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.467 -8.590 6.357 1.00 10.00 C ATOM 346 CD2 LEU A 29 0.684 -8.900 8.539 1.00 10.00 C ATOM 0 H LEU A 29 -0.732 -12.342 7.954 1.00 10.00 H new ATOM 0 HA LEU A 29 -0.823 -10.459 10.032 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -2.087 -10.475 7.285 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.079 -9.086 8.353 1.00 10.00 H new ATOM 0 HG LEU A 29 0.329 -10.406 7.108 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.480 -8.264 5.928 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -1.058 -9.093 5.592 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.014 -7.723 6.727 1.00 10.00 H new ATOM 0 HD21 LEU A 29 1.625 -8.592 8.083 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.183 -8.029 8.962 1.00 10.00 H new ATOM 0 HD23 LEU A 29 0.884 -9.623 9.330 1.00 10.00 H new ATOM 358 N THR A 30 -3.169 -10.152 10.649 1.00 10.00 N ATOM 359 CA THR A 30 -4.438 -10.047 11.208 1.00 10.00 C ATOM 360 C THR A 30 -5.361 -9.259 10.337 1.00 10.00 C ATOM 361 O THR A 30 -4.974 -8.252 9.772 1.00 10.00 O ATOM 362 CB THR A 30 -4.313 -9.380 12.520 1.00 10.00 C ATOM 363 OG1 THR A 30 -3.001 -8.785 12.637 1.00 10.00 O ATOM 364 CG2 THR A 30 -4.514 -10.363 13.586 1.00 10.00 C ATOM 0 H THR A 30 -2.516 -9.446 10.988 1.00 10.00 H new ATOM 0 HA THR A 30 -4.858 -11.047 11.315 1.00 10.00 H new ATOM 0 HB THR A 30 -5.067 -8.598 12.607 1.00 10.00 H new ATOM 0 HG1 THR A 30 -3.076 -7.911 13.075 1.00 10.00 H new ATOM 0 HG21 THR A 30 -4.422 -9.873 14.555 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.508 -10.802 13.494 1.00 10.00 H new ATOM 0 HG23 THR A 30 -3.762 -11.148 13.504 1.00 10.00 H new ATOM 372 N LEU A 31 -6.581 -9.721 10.239 1.00 10.00 N ATOM 373 CA LEU A 31 -7.629 -9.080 9.457 1.00 10.00 C ATOM 374 C LEU A 31 -7.805 -7.662 9.868 1.00 10.00 C ATOM 375 O LEU A 31 -7.901 -6.790 9.025 1.00 10.00 O ATOM 376 CB LEU A 31 -8.917 -9.789 9.702 1.00 10.00 C ATOM 377 CG LEU A 31 -10.171 -9.268 8.985 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.069 -9.429 7.485 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.410 -9.950 9.517 1.00 10.00 C ATOM 0 H LEU A 31 -6.889 -10.573 10.708 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.346 -9.121 8.405 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.782 -10.834 9.423 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.112 -9.768 10.774 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.247 -8.200 9.191 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.976 -9.048 7.016 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.208 -8.871 7.117 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.949 -10.484 7.240 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.288 -9.567 8.996 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.332 -11.025 9.355 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.505 -9.750 10.584 1.00 10.00 H new ATOM 391 N ARG A 32 -7.795 -7.388 11.155 1.00 10.00 N ATOM 392 CA ARG A 32 -8.047 -6.033 11.540 1.00 10.00 C ATOM 393 C ARG A 32 -6.863 -5.156 11.317 1.00 10.00 C ATOM 394 O ARG A 32 -6.959 -3.956 11.406 1.00 10.00 O ATOM 395 CB ARG A 32 -8.707 -5.866 12.886 1.00 10.00 C ATOM 396 CG ARG A 32 -9.967 -4.998 12.764 1.00 10.00 C ATOM 397 CD ARG A 32 -9.673 -3.509 12.647 1.00 10.00 C ATOM 398 NE ARG A 32 -9.486 -2.856 13.959 1.00 10.00 N ATOM 399 CZ ARG A 32 -8.356 -2.263 14.394 1.00 10.00 C ATOM 400 NH1 ARG A 32 -7.220 -2.441 13.753 1.00 10.00 N ATOM 401 NH2 ARG A 32 -8.369 -1.534 15.507 1.00 10.00 N ATOM 0 H ARG A 32 -7.624 -8.051 11.911 1.00 10.00 H new ATOM 0 HA ARG A 32 -8.817 -5.675 10.856 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -8.969 -6.843 13.292 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.008 -5.407 13.585 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -10.535 -5.317 11.890 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -10.600 -5.167 13.635 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -8.776 -3.367 12.045 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -10.492 -3.022 12.118 1.00 10.00 H new ATOM 0 HE ARG A 32 -10.285 -2.854 14.594 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -7.191 -3.031 12.921 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -6.369 -1.989 14.088 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -9.235 -1.423 16.034 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -7.513 -1.087 15.834 1.00 10.00 H new ATOM 415 N ASP A 33 -5.768 -5.756 10.978 1.00 10.00 N ATOM 416 CA ASP A 33 -4.647 -5.009 10.508 1.00 10.00 C ATOM 417 C ASP A 33 -4.912 -4.584 9.096 1.00 10.00 C ATOM 418 O ASP A 33 -4.645 -3.458 8.761 1.00 10.00 O ATOM 419 CB ASP A 33 -3.316 -5.757 10.628 1.00 10.00 C ATOM 420 CG ASP A 33 -2.703 -5.629 11.999 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.190 -6.256 12.944 1.00 10.00 O ATOM 422 OD2 ASP A 33 -1.734 -4.873 12.168 1.00 10.00 O ATOM 0 H ASP A 33 -5.626 -6.765 11.018 1.00 10.00 H new ATOM 0 HA ASP A 33 -4.535 -4.135 11.150 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.474 -6.811 10.401 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.618 -5.372 9.884 1.00 10.00 H new ATOM 427 N LEU A 34 -5.565 -5.463 8.277 1.00 10.00 N ATOM 428 CA LEU A 34 -5.876 -5.076 6.856 1.00 10.00 C ATOM 429 C LEU A 34 -6.922 -4.015 6.863 1.00 10.00 C ATOM 430 O LEU A 34 -6.870 -3.035 6.125 1.00 10.00 O ATOM 431 CB LEU A 34 -6.403 -6.239 5.965 1.00 10.00 C ATOM 432 CG LEU A 34 -5.448 -7.356 5.529 1.00 10.00 C ATOM 433 CD1 LEU A 34 -4.290 -6.821 4.701 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.952 -8.087 6.716 1.00 10.00 C ATOM 0 H LEU A 34 -5.874 -6.396 8.551 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.930 -4.745 6.429 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -7.230 -6.708 6.498 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.818 -5.794 5.061 1.00 10.00 H new ATOM 0 HG LEU A 34 -6.004 -8.044 4.893 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -3.637 -7.645 4.413 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -4.677 -6.334 3.806 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.724 -6.099 5.290 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.274 -8.879 6.398 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.422 -7.397 7.373 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.794 -8.524 7.253 1.00 10.00 H new ATOM 446 N LEU A 35 -7.875 -4.225 7.711 1.00 10.00 N ATOM 447 CA LEU A 35 -9.005 -3.320 7.857 1.00 10.00 C ATOM 448 C LEU A 35 -8.552 -2.006 8.447 1.00 10.00 C ATOM 449 O LEU A 35 -9.068 -0.951 8.098 1.00 10.00 O ATOM 450 CB LEU A 35 -10.111 -3.971 8.702 1.00 10.00 C ATOM 451 CG LEU A 35 -10.971 -5.077 8.033 1.00 10.00 C ATOM 452 CD1 LEU A 35 -12.023 -4.450 7.137 1.00 10.00 C ATOM 453 CD2 LEU A 35 -10.118 -6.019 7.189 1.00 10.00 C ATOM 0 H LEU A 35 -7.906 -5.032 8.334 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.423 -3.114 6.872 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.647 -4.398 9.591 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.783 -3.182 9.041 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.442 -5.647 8.833 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.620 -5.235 6.673 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.670 -3.805 7.732 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.535 -3.859 6.362 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.755 -6.780 6.737 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.617 -5.452 6.405 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.372 -6.500 7.822 1.00 10.00 H new ATOM 465 N ASP A 36 -7.607 -2.076 9.348 1.00 10.00 N ATOM 466 CA ASP A 36 -6.989 -0.835 9.867 1.00 10.00 C ATOM 467 C ASP A 36 -6.205 -0.118 8.757 1.00 10.00 C ATOM 468 O ASP A 36 -6.193 1.091 8.709 1.00 10.00 O ATOM 469 CB ASP A 36 -6.073 -1.078 11.065 1.00 10.00 C ATOM 470 CG ASP A 36 -5.614 0.217 11.742 1.00 10.00 C ATOM 471 OD1 ASP A 36 -4.639 0.849 11.275 1.00 10.00 O ATOM 472 OD2 ASP A 36 -6.192 0.594 12.776 1.00 10.00 O ATOM 0 H ASP A 36 -7.241 -2.942 9.743 1.00 10.00 H new ATOM 0 HA ASP A 36 -7.810 -0.205 10.209 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -6.595 -1.697 11.794 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.198 -1.640 10.738 1.00 10.00 H new ATOM 477 N ILE A 37 -5.563 -0.883 7.853 1.00 10.00 N ATOM 478 CA ILE A 37 -4.838 -0.299 6.688 1.00 10.00 C ATOM 479 C ILE A 37 -5.789 0.582 5.901 1.00 10.00 C ATOM 480 O ILE A 37 -5.542 1.771 5.714 1.00 10.00 O ATOM 481 CB ILE A 37 -4.305 -1.387 5.690 1.00 10.00 C ATOM 482 CG1 ILE A 37 -3.380 -2.377 6.378 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.592 -0.734 4.500 1.00 10.00 C ATOM 484 CD1 ILE A 37 -3.015 -3.577 5.521 1.00 10.00 C ATOM 0 H ILE A 37 -5.527 -1.901 7.899 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.991 0.252 7.097 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.170 -1.938 5.322 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -2.466 -1.861 6.672 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.856 -2.728 7.294 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -3.232 -1.508 3.822 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -4.289 -0.084 3.971 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.748 -0.145 4.860 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -2.353 -4.237 6.082 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.921 -4.118 5.248 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -2.509 -3.238 4.617 1.00 10.00 H new ATOM 496 N VAL A 38 -6.903 -0.006 5.500 1.00 10.00 N ATOM 497 CA VAL A 38 -7.900 0.678 4.688 1.00 10.00 C ATOM 498 C VAL A 38 -8.598 1.829 5.464 1.00 10.00 C ATOM 499 O VAL A 38 -9.229 2.696 4.885 1.00 10.00 O ATOM 500 CB VAL A 38 -8.911 -0.342 4.027 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.703 -1.126 5.036 1.00 10.00 C ATOM 502 CG2 VAL A 38 -9.809 0.304 2.977 1.00 10.00 C ATOM 0 H VAL A 38 -7.144 -0.971 5.727 1.00 10.00 H new ATOM 0 HA VAL A 38 -7.378 1.161 3.862 1.00 10.00 H new ATOM 0 HB VAL A 38 -8.285 -1.062 3.500 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -10.378 -1.808 4.519 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -9.023 -1.698 5.667 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -10.283 -0.441 5.655 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -10.480 -0.447 2.560 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -10.395 1.098 3.439 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -9.194 0.723 2.180 1.00 10.00 H new ATOM 512 N GLU A 39 -8.433 1.832 6.760 1.00 10.00 N ATOM 513 CA GLU A 39 -8.956 2.851 7.607 1.00 10.00 C ATOM 514 C GLU A 39 -7.924 4.005 7.750 1.00 10.00 C ATOM 515 O GLU A 39 -8.169 5.144 7.338 1.00 10.00 O ATOM 516 CB GLU A 39 -9.250 2.217 8.971 1.00 10.00 C ATOM 517 CG GLU A 39 -9.814 3.154 9.995 1.00 10.00 C ATOM 518 CD GLU A 39 -11.165 3.673 9.616 1.00 10.00 C ATOM 519 OE1 GLU A 39 -12.164 2.942 9.795 1.00 10.00 O ATOM 520 OE2 GLU A 39 -11.259 4.813 9.123 1.00 10.00 O ATOM 0 H GLU A 39 -7.919 1.107 7.260 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.869 3.272 7.186 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.950 1.394 8.829 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -8.328 1.788 9.362 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -9.882 2.640 10.954 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -9.131 3.993 10.130 1.00 10.00 H new ATOM 527 N THR A 40 -6.776 3.674 8.288 1.00 10.00 N ATOM 528 CA THR A 40 -5.728 4.614 8.633 1.00 10.00 C ATOM 529 C THR A 40 -5.030 5.242 7.403 1.00 10.00 C ATOM 530 O THR A 40 -4.743 6.453 7.399 1.00 10.00 O ATOM 531 CB THR A 40 -4.690 3.894 9.533 1.00 10.00 C ATOM 532 OG1 THR A 40 -5.370 3.324 10.664 1.00 10.00 O ATOM 533 CG2 THR A 40 -3.608 4.843 10.026 1.00 10.00 C ATOM 0 H THR A 40 -6.533 2.708 8.507 1.00 10.00 H new ATOM 0 HA THR A 40 -6.194 5.444 9.164 1.00 10.00 H new ATOM 0 HB THR A 40 -4.207 3.119 8.938 1.00 10.00 H new ATOM 0 HG1 THR A 40 -4.825 2.604 11.045 1.00 10.00 H new ATOM 0 HG21 THR A 40 -2.903 4.297 10.652 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.081 5.269 9.172 1.00 10.00 H new ATOM 0 HG23 THR A 40 -4.064 5.644 10.607 1.00 10.00 H new ATOM 541 N SER A 41 -4.805 4.441 6.356 1.00 10.00 N ATOM 542 CA SER A 41 -4.047 4.882 5.183 1.00 10.00 C ATOM 543 C SER A 41 -4.652 6.147 4.564 1.00 10.00 C ATOM 544 O SER A 41 -3.958 7.140 4.366 1.00 10.00 O ATOM 545 CB SER A 41 -3.958 3.740 4.145 1.00 10.00 C ATOM 546 OG SER A 41 -3.137 4.071 3.035 1.00 10.00 O ATOM 0 H SER A 41 -5.140 3.479 6.298 1.00 10.00 H new ATOM 0 HA SER A 41 -3.038 5.135 5.507 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.565 2.845 4.628 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.960 3.497 3.791 1.00 10.00 H new ATOM 0 HG SER A 41 -3.540 3.719 2.214 1.00 10.00 H new ATOM 552 N GLN A 42 -5.951 6.120 4.334 1.00 10.00 N ATOM 553 CA GLN A 42 -6.667 7.238 3.724 1.00 10.00 C ATOM 554 C GLN A 42 -6.594 8.466 4.569 1.00 10.00 C ATOM 555 O GLN A 42 -6.365 9.536 4.070 1.00 10.00 O ATOM 556 CB GLN A 42 -8.106 6.891 3.574 1.00 10.00 C ATOM 557 CG GLN A 42 -8.351 5.780 2.628 1.00 10.00 C ATOM 558 CD GLN A 42 -9.729 5.234 2.728 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.287 4.761 1.742 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.299 5.286 3.904 1.00 10.00 N ATOM 0 H GLN A 42 -6.546 5.324 4.563 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.199 7.430 2.759 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.510 6.622 4.550 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.651 7.772 3.235 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.176 6.130 1.610 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.634 4.982 2.818 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.798 5.688 4.696 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.245 4.925 4.029 1.00 10.00 H new ATOM 569 N ALA A 43 -6.751 8.279 5.840 1.00 10.00 N ATOM 570 CA ALA A 43 -6.830 9.356 6.778 1.00 10.00 C ATOM 571 C ALA A 43 -5.559 10.208 6.810 1.00 10.00 C ATOM 572 O ALA A 43 -5.631 11.439 6.842 1.00 10.00 O ATOM 573 CB ALA A 43 -7.198 8.788 8.114 1.00 10.00 C ATOM 0 H ALA A 43 -6.830 7.355 6.265 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.607 10.054 6.466 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.264 9.593 8.846 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.161 8.283 8.042 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.437 8.074 8.428 1.00 10.00 H new ATOM 579 N HIS A 44 -4.409 9.571 6.755 1.00 10.00 N ATOM 580 CA HIS A 44 -3.145 10.306 6.692 1.00 10.00 C ATOM 581 C HIS A 44 -2.906 10.784 5.280 1.00 10.00 C ATOM 582 O HIS A 44 -2.422 11.889 5.085 1.00 10.00 O ATOM 583 CB HIS A 44 -1.990 9.424 7.123 1.00 10.00 C ATOM 584 CG HIS A 44 -0.580 10.011 6.990 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.375 9.437 6.188 1.00 10.00 N ATOM 586 CD2 HIS A 44 0.037 11.061 7.589 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.510 10.091 6.296 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.346 11.079 7.139 1.00 10.00 N ATOM 0 H HIS A 44 -4.313 8.555 6.752 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.208 11.159 7.368 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.145 9.148 8.166 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.030 8.504 6.540 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.410 11.754 8.287 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.426 9.853 5.776 1.00 10.00 H new ATOM 0 HE2 HIS A 44 2.062 11.749 7.418 1.00 10.00 H new ATOM 597 N ASN A 45 -3.243 9.952 4.301 1.00 10.00 N ATOM 598 CA ASN A 45 -3.027 10.306 2.903 1.00 10.00 C ATOM 599 C ASN A 45 -3.819 11.513 2.510 1.00 10.00 C ATOM 600 O ASN A 45 -3.282 12.432 1.953 1.00 10.00 O ATOM 601 CB ASN A 45 -3.303 9.155 1.928 1.00 10.00 C ATOM 602 CG ASN A 45 -2.237 8.080 1.942 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.075 8.328 2.245 1.00 10.00 O ATOM 604 ND2 ASN A 45 -2.619 6.874 1.607 1.00 10.00 N ATOM 0 H ASN A 45 -3.664 9.034 4.447 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.964 10.537 2.828 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.265 8.705 2.174 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.388 9.557 0.919 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.943 6.110 1.593 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -3.593 6.698 1.360 1.00 10.00 H new ATOM 611 N ALA A 46 -5.077 11.530 2.870 1.00 10.00 N ATOM 612 CA ALA A 46 -5.962 12.635 2.550 1.00 10.00 C ATOM 613 C ALA A 46 -5.462 13.904 3.199 1.00 10.00 C ATOM 614 O ALA A 46 -5.482 14.986 2.592 1.00 10.00 O ATOM 615 CB ALA A 46 -7.364 12.335 3.030 1.00 10.00 C ATOM 0 H ALA A 46 -5.524 10.778 3.395 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.977 12.769 1.468 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.019 13.171 2.785 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.730 11.432 2.542 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.355 12.186 4.110 1.00 10.00 H new ATOM 621 N ARG A 47 -4.979 13.754 4.416 1.00 10.00 N ATOM 622 CA ARG A 47 -4.481 14.858 5.183 1.00 10.00 C ATOM 623 C ARG A 47 -3.194 15.372 4.559 1.00 10.00 C ATOM 624 O ARG A 47 -3.064 16.557 4.283 1.00 10.00 O ATOM 625 CB ARG A 47 -4.242 14.420 6.635 1.00 10.00 C ATOM 626 CG ARG A 47 -4.239 15.548 7.680 1.00 10.00 C ATOM 627 CD ARG A 47 -3.019 16.450 7.584 1.00 10.00 C ATOM 628 NE ARG A 47 -3.139 17.625 8.446 1.00 10.00 N ATOM 629 CZ ARG A 47 -2.184 18.543 8.615 1.00 10.00 C ATOM 630 NH1 ARG A 47 -0.969 18.352 8.098 1.00 10.00 N ATOM 631 NH2 ARG A 47 -2.435 19.642 9.317 1.00 10.00 N ATOM 0 H ARG A 47 -4.924 12.855 4.895 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.216 15.663 5.183 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.012 13.698 6.909 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.285 13.900 6.686 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -5.139 16.151 7.557 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -4.282 15.111 8.677 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.128 15.886 7.861 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.885 16.770 6.551 1.00 10.00 H new ATOM 0 HE ARG A 47 -4.014 17.752 8.954 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -0.767 17.502 7.571 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -0.242 19.056 8.229 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -3.358 19.785 9.728 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.705 20.343 9.446 1.00 10.00 H new ATOM 645 N ALA A 48 -2.257 14.477 4.308 1.00 10.00 N ATOM 646 CA ALA A 48 -0.977 14.889 3.775 1.00 10.00 C ATOM 647 C ALA A 48 -1.015 15.171 2.259 1.00 10.00 C ATOM 648 O ALA A 48 -0.018 15.605 1.684 1.00 10.00 O ATOM 649 CB ALA A 48 0.104 13.898 4.131 1.00 10.00 C ATOM 0 H ALA A 48 -2.357 13.474 4.463 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.735 15.840 4.249 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.055 14.233 3.717 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.186 13.823 5.215 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.147 12.921 3.718 1.00 10.00 H new ATOM 655 N GLN A 49 -2.192 14.934 1.636 1.00 10.00 N ATOM 656 CA GLN A 49 -2.457 15.197 0.198 1.00 10.00 C ATOM 657 C GLN A 49 -1.757 14.173 -0.684 1.00 10.00 C ATOM 658 O GLN A 49 -1.371 14.436 -1.840 1.00 10.00 O ATOM 659 CB GLN A 49 -2.112 16.640 -0.157 1.00 10.00 C ATOM 660 CG GLN A 49 -2.919 17.603 0.629 1.00 10.00 C ATOM 661 CD GLN A 49 -2.065 18.627 1.345 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.745 19.685 0.798 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.732 18.343 2.587 1.00 10.00 N ATOM 0 H GLN A 49 -3.000 14.548 2.125 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.523 15.078 0.006 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.052 16.817 0.027 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.283 16.804 -1.221 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.615 18.116 -0.035 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.518 17.059 1.360 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.017 17.456 3.001 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -1.189 19.010 3.135 1.00 10.00 H new ATOM 672 N LEU A 50 -1.654 13.013 -0.117 1.00 10.00 N ATOM 673 CA LEU A 50 -1.101 11.816 -0.696 1.00 10.00 C ATOM 674 C LEU A 50 -2.196 10.969 -1.323 1.00 10.00 C ATOM 675 O LEU A 50 -3.297 10.848 -0.781 1.00 10.00 O ATOM 676 CB LEU A 50 -0.415 11.013 0.403 1.00 10.00 C ATOM 677 CG LEU A 50 1.035 11.347 0.713 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.270 12.829 0.885 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.521 10.591 1.930 1.00 10.00 C ATOM 0 H LEU A 50 -1.978 12.860 0.838 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.387 12.092 -1.472 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.992 11.135 1.320 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.467 9.959 0.132 1.00 10.00 H new ATOM 0 HG LEU A 50 1.614 11.029 -0.154 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.323 13.007 1.105 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.998 13.350 -0.033 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.660 13.201 1.708 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.561 10.850 2.128 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.910 10.858 2.792 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.442 9.519 1.748 1.00 10.00 H new ATOM 691 N THR A 51 -1.905 10.418 -2.461 1.00 10.00 N ATOM 692 CA THR A 51 -2.806 9.583 -3.182 1.00 10.00 C ATOM 693 C THR A 51 -2.155 8.212 -3.389 1.00 10.00 C ATOM 694 O THR A 51 -0.961 8.096 -3.250 1.00 10.00 O ATOM 695 CB THR A 51 -3.210 10.305 -4.468 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.064 10.651 -5.221 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.872 11.589 -4.058 1.00 10.00 C ATOM 0 H THR A 51 -1.005 10.543 -2.925 1.00 10.00 H new ATOM 0 HA THR A 51 -3.729 9.393 -2.635 1.00 10.00 H new ATOM 0 HB THR A 51 -3.859 9.663 -5.063 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.214 10.433 -6.164 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.179 12.140 -4.947 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.748 11.368 -3.448 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.171 12.192 -3.481 1.00 10.00 H new ATOM 705 N GLY A 52 -2.918 7.176 -3.640 1.00 10.00 N ATOM 706 CA GLY A 52 -2.336 5.854 -3.583 1.00 10.00 C ATOM 707 C GLY A 52 -3.196 4.785 -4.148 1.00 10.00 C ATOM 708 O GLY A 52 -4.288 5.043 -4.614 1.00 10.00 O ATOM 0 H GLY A 52 -3.909 7.215 -3.878 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.388 5.863 -4.120 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.111 5.613 -2.544 1.00 10.00 H new ATOM 712 N ALA A 53 -2.674 3.602 -4.148 1.00 10.00 N ATOM 713 CA ALA A 53 -3.413 2.398 -4.486 1.00 10.00 C ATOM 714 C ALA A 53 -2.597 1.188 -4.089 1.00 10.00 C ATOM 715 O ALA A 53 -1.384 1.305 -3.884 1.00 10.00 O ATOM 716 CB ALA A 53 -3.820 2.343 -5.959 1.00 10.00 C ATOM 0 H ALA A 53 -1.698 3.426 -3.909 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.348 2.407 -3.926 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.369 1.421 -6.151 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.454 3.198 -6.193 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -2.928 2.371 -6.584 1.00 10.00 H new ATOM 722 N LEU A 54 -3.246 0.063 -3.887 1.00 10.00 N ATOM 723 CA LEU A 54 -2.536 -1.154 -3.613 1.00 10.00 C ATOM 724 C LEU A 54 -3.232 -2.316 -4.247 1.00 10.00 C ATOM 725 O LEU A 54 -4.478 -2.363 -4.303 1.00 10.00 O ATOM 726 CB LEU A 54 -2.266 -1.391 -2.087 1.00 10.00 C ATOM 727 CG LEU A 54 -3.406 -1.821 -1.138 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.716 -3.316 -1.267 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.035 -1.493 0.297 1.00 10.00 C ATOM 0 H LEU A 54 -4.262 -0.029 -3.908 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.548 -1.053 -4.063 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.486 -2.149 -2.014 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -1.850 -0.466 -1.688 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.302 -1.268 -1.421 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.523 -3.580 -0.584 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.019 -3.538 -2.290 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -2.826 -3.895 -1.019 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.844 -1.799 0.961 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.123 -2.024 0.567 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -2.872 -0.420 0.394 1.00 10.00 H new ATOM 741 N PHE A 55 -2.449 -3.238 -4.701 1.00 10.00 N ATOM 742 CA PHE A 55 -2.925 -4.432 -5.314 1.00 10.00 C ATOM 743 C PHE A 55 -2.409 -5.617 -4.519 1.00 10.00 C ATOM 744 O PHE A 55 -1.201 -5.865 -4.462 1.00 10.00 O ATOM 745 CB PHE A 55 -2.453 -4.532 -6.772 1.00 10.00 C ATOM 746 CG PHE A 55 -2.918 -3.402 -7.659 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.217 -3.370 -8.142 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.053 -2.378 -8.017 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.646 -2.343 -8.961 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.476 -1.347 -8.833 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.774 -1.329 -9.306 1.00 10.00 C ATOM 0 H PHE A 55 -1.432 -3.179 -4.654 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.015 -4.424 -5.320 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.364 -4.564 -6.787 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.805 -5.475 -7.191 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -4.904 -4.159 -7.874 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.036 -2.387 -7.653 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.661 -2.333 -9.330 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -1.792 -0.555 -9.101 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.106 -0.524 -9.944 1.00 10.00 H new ATOM 761 N TYR A 56 -3.299 -6.286 -3.848 1.00 10.00 N ATOM 762 CA TYR A 56 -2.940 -7.467 -3.109 1.00 10.00 C ATOM 763 C TYR A 56 -3.322 -8.642 -3.998 1.00 10.00 C ATOM 764 O TYR A 56 -4.516 -8.944 -4.163 1.00 10.00 O ATOM 765 CB TYR A 56 -3.725 -7.496 -1.757 1.00 10.00 C ATOM 766 CG TYR A 56 -3.339 -8.594 -0.750 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.055 -9.905 -1.142 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.286 -8.304 0.608 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.728 -10.877 -0.219 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.956 -9.274 1.535 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.679 -10.557 1.115 1.00 10.00 C ATOM 772 OH TYR A 56 -2.352 -11.522 2.041 1.00 10.00 O ATOM 0 H TYR A 56 -4.286 -6.035 -3.795 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.879 -7.499 -2.862 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.597 -6.529 -1.270 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.786 -7.601 -1.983 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.092 -10.163 -2.190 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.507 -7.302 0.945 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -2.512 -11.884 -0.544 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.915 -9.027 2.586 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.361 -11.130 2.939 1.00 10.00 H new ATOM 782 N SER A 57 -2.346 -9.272 -4.578 1.00 10.00 N ATOM 783 CA SER A 57 -2.586 -10.347 -5.499 1.00 10.00 C ATOM 784 C SER A 57 -2.000 -11.650 -4.975 1.00 10.00 C ATOM 785 O SER A 57 -0.808 -11.901 -5.143 1.00 10.00 O ATOM 786 CB SER A 57 -1.973 -9.995 -6.861 1.00 10.00 C ATOM 787 OG SER A 57 -2.458 -8.733 -7.330 1.00 10.00 O ATOM 0 H SER A 57 -1.360 -9.057 -4.428 1.00 10.00 H new ATOM 0 HA SER A 57 -3.662 -10.485 -5.610 1.00 10.00 H new ATOM 0 HB2 SER A 57 -0.887 -9.963 -6.778 1.00 10.00 H new ATOM 0 HB3 SER A 57 -2.215 -10.773 -7.585 1.00 10.00 H new ATOM 0 HG SER A 57 -2.052 -8.529 -8.198 1.00 10.00 H new ATOM 793 N GLN A 58 -2.844 -12.437 -4.281 1.00 10.00 N ATOM 794 CA GLN A 58 -2.488 -13.762 -3.726 1.00 10.00 C ATOM 795 C GLN A 58 -1.469 -13.644 -2.579 1.00 10.00 C ATOM 796 O GLN A 58 -1.812 -13.828 -1.412 1.00 10.00 O ATOM 797 CB GLN A 58 -1.982 -14.706 -4.831 1.00 10.00 C ATOM 798 CG GLN A 58 -1.666 -16.116 -4.372 1.00 10.00 C ATOM 799 CD GLN A 58 -1.078 -16.965 -5.481 1.00 10.00 C ATOM 800 OE1 GLN A 58 -1.360 -16.760 -6.666 1.00 10.00 O ATOM 801 NE2 GLN A 58 -0.271 -17.922 -5.115 1.00 10.00 N ATOM 0 H GLN A 58 -3.808 -12.168 -4.086 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.395 -14.196 -3.306 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -2.734 -14.756 -5.618 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.085 -14.274 -5.274 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -0.965 -16.076 -3.538 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -2.576 -16.587 -4.001 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -0.061 -18.062 -4.127 1.00 10.00 H new ATOM 0 HE22 GLN A 58 0.150 -18.531 -5.817 1.00 10.00 H new ATOM 810 N GLY A 59 -0.250 -13.335 -2.922 1.00 10.00 N ATOM 811 CA GLY A 59 0.795 -13.167 -1.957 1.00 10.00 C ATOM 812 C GLY A 59 1.560 -11.882 -2.196 1.00 10.00 C ATOM 813 O GLY A 59 2.012 -11.234 -1.245 1.00 10.00 O ATOM 0 H GLY A 59 0.047 -13.192 -3.887 1.00 10.00 H new ATOM 0 HA2 GLY A 59 0.369 -13.158 -0.954 1.00 10.00 H new ATOM 0 HA3 GLY A 59 1.478 -14.015 -2.006 1.00 10.00 H new ATOM 817 N VAL A 60 1.712 -11.496 -3.458 1.00 10.00 N ATOM 818 CA VAL A 60 2.394 -10.271 -3.771 1.00 10.00 C ATOM 819 C VAL A 60 1.517 -9.062 -3.439 1.00 10.00 C ATOM 820 O VAL A 60 0.439 -8.837 -4.019 1.00 10.00 O ATOM 821 CB VAL A 60 2.970 -10.199 -5.231 1.00 10.00 C ATOM 822 CG1 VAL A 60 4.011 -11.282 -5.453 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.882 -10.279 -6.298 1.00 10.00 C ATOM 0 H VAL A 60 1.371 -12.017 -4.266 1.00 10.00 H new ATOM 0 HA VAL A 60 3.276 -10.249 -3.131 1.00 10.00 H new ATOM 0 HB VAL A 60 3.444 -9.223 -5.332 1.00 10.00 H new ATOM 0 HG11 VAL A 60 4.396 -11.213 -6.470 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.830 -11.150 -4.745 1.00 10.00 H new ATOM 0 HG13 VAL A 60 3.555 -12.261 -5.303 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.337 -10.224 -7.287 1.00 10.00 H new ATOM 0 HG22 VAL A 60 1.343 -11.221 -6.198 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.187 -9.449 -6.172 1.00 10.00 H new ATOM 833 N PHE A 61 1.941 -8.367 -2.444 1.00 10.00 N ATOM 834 CA PHE A 61 1.285 -7.203 -1.955 1.00 10.00 C ATOM 835 C PHE A 61 2.020 -5.988 -2.531 1.00 10.00 C ATOM 836 O PHE A 61 3.158 -5.718 -2.159 1.00 10.00 O ATOM 837 CB PHE A 61 1.502 -7.314 -0.477 1.00 10.00 C ATOM 838 CG PHE A 61 0.695 -6.532 0.495 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.555 -5.999 0.208 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.195 -6.422 1.769 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.272 -5.351 1.209 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.515 -5.815 2.747 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.722 -5.272 2.484 1.00 10.00 C ATOM 0 H PHE A 61 2.788 -8.602 -1.927 1.00 10.00 H new ATOM 0 HA PHE A 61 0.231 -7.107 -2.214 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.375 -8.365 -0.218 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.547 -7.064 -0.292 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.968 -6.087 -0.786 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.167 -6.838 1.988 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.239 -4.917 1.000 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.935 -5.751 3.740 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.270 -4.781 3.274 1.00 10.00 H new ATOM 853 N PHE A 62 1.411 -5.297 -3.444 1.00 10.00 N ATOM 854 CA PHE A 62 2.054 -4.160 -4.077 1.00 10.00 C ATOM 855 C PHE A 62 1.330 -2.891 -3.689 1.00 10.00 C ATOM 856 O PHE A 62 0.133 -2.773 -3.921 1.00 10.00 O ATOM 857 CB PHE A 62 2.041 -4.333 -5.615 1.00 10.00 C ATOM 858 CG PHE A 62 2.704 -3.208 -6.391 1.00 10.00 C ATOM 859 CD1 PHE A 62 4.054 -3.259 -6.685 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.971 -2.106 -6.827 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.665 -2.238 -7.391 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.579 -1.087 -7.531 1.00 10.00 C ATOM 863 CZ PHE A 62 3.929 -1.154 -7.814 1.00 10.00 C ATOM 0 H PHE A 62 0.467 -5.492 -3.777 1.00 10.00 H new ATOM 0 HA PHE A 62 3.089 -4.098 -3.742 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.539 -5.270 -5.865 1.00 10.00 H new ATOM 0 HB3 PHE A 62 1.007 -4.423 -5.947 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.639 -4.106 -6.359 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.914 -2.049 -6.611 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.721 -2.291 -7.611 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.999 -0.237 -7.861 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.406 -0.358 -8.366 1.00 10.00 H new ATOM 873 N GLN A 63 2.035 -1.961 -3.103 1.00 10.00 N ATOM 874 CA GLN A 63 1.442 -0.700 -2.728 1.00 10.00 C ATOM 875 C GLN A 63 2.401 0.408 -3.048 1.00 10.00 C ATOM 876 O GLN A 63 3.618 0.256 -2.876 1.00 10.00 O ATOM 877 CB GLN A 63 1.034 -0.691 -1.233 1.00 10.00 C ATOM 878 CG GLN A 63 0.215 0.540 -0.783 1.00 10.00 C ATOM 879 CD GLN A 63 1.028 1.744 -0.337 1.00 10.00 C ATOM 880 OE1 GLN A 63 2.113 1.622 0.196 1.00 10.00 O ATOM 881 NE2 GLN A 63 0.505 2.913 -0.566 1.00 10.00 N ATOM 0 H GLN A 63 3.025 -2.051 -2.873 1.00 10.00 H new ATOM 0 HA GLN A 63 0.526 -0.550 -3.300 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.453 -1.590 -1.026 1.00 10.00 H new ATOM 0 HB3 GLN A 63 1.937 -0.748 -0.626 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.430 0.845 -1.607 1.00 10.00 H new ATOM 0 HG3 GLN A 63 -0.436 0.240 0.038 1.00 10.00 H new ATOM 0 HE21 GLN A 63 -0.408 2.984 -1.015 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.008 3.758 -0.296 1.00 10.00 H new ATOM 890 N TRP A 64 1.882 1.477 -3.583 1.00 10.00 N ATOM 891 CA TRP A 64 2.672 2.626 -3.830 1.00 10.00 C ATOM 892 C TRP A 64 1.814 3.842 -3.540 1.00 10.00 C ATOM 893 O TRP A 64 0.567 3.726 -3.450 1.00 10.00 O ATOM 894 CB TRP A 64 3.203 2.654 -5.276 1.00 10.00 C ATOM 895 CG TRP A 64 2.327 3.193 -6.351 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.593 4.310 -7.081 1.00 10.00 C ATOM 897 CD2 TRP A 64 1.084 2.691 -6.831 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.621 4.517 -7.995 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.672 3.549 -7.864 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.278 1.606 -6.503 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.496 3.357 -8.564 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -0.892 1.424 -7.197 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.267 2.295 -8.218 1.00 10.00 C ATOM 0 H TRP A 64 0.903 1.566 -3.855 1.00 10.00 H new ATOM 0 HA TRP A 64 3.550 2.616 -3.184 1.00 10.00 H new ATOM 0 HB2 TRP A 64 4.124 3.236 -5.278 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.471 1.633 -5.549 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.459 4.942 -6.948 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.601 5.277 -8.675 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.567 0.921 -5.719 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.789 4.026 -9.359 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.533 0.591 -6.947 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.193 2.121 -8.746 1.00 10.00 H new ATOM 914 N LEU A 65 2.423 4.980 -3.398 1.00 10.00 N ATOM 915 CA LEU A 65 1.680 6.179 -3.122 1.00 10.00 C ATOM 916 C LEU A 65 2.317 7.374 -3.780 1.00 10.00 C ATOM 917 O LEU A 65 3.533 7.414 -3.965 1.00 10.00 O ATOM 918 CB LEU A 65 1.529 6.443 -1.620 1.00 10.00 C ATOM 919 CG LEU A 65 2.809 6.715 -0.847 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.469 7.420 0.430 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.569 5.430 -0.528 1.00 10.00 C ATOM 0 H LEU A 65 3.433 5.107 -3.468 1.00 10.00 H new ATOM 0 HA LEU A 65 0.684 6.023 -3.537 1.00 10.00 H new ATOM 0 HB2 LEU A 65 0.863 7.296 -1.489 1.00 10.00 H new ATOM 0 HB3 LEU A 65 1.035 5.582 -1.170 1.00 10.00 H new ATOM 0 HG LEU A 65 3.453 7.335 -1.470 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.383 7.619 0.990 1.00 10.00 H new ATOM 0 HD12 LEU A 65 1.970 8.362 0.204 1.00 10.00 H new ATOM 0 HD13 LEU A 65 1.807 6.793 1.027 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.477 5.672 0.025 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.940 4.776 0.075 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.834 4.924 -1.456 1.00 10.00 H new ATOM 933 N GLU A 66 1.495 8.323 -4.116 1.00 10.00 N ATOM 934 CA GLU A 66 1.882 9.556 -4.716 1.00 10.00 C ATOM 935 C GLU A 66 1.776 10.624 -3.621 1.00 10.00 C ATOM 936 O GLU A 66 0.717 10.782 -3.034 1.00 10.00 O ATOM 937 CB GLU A 66 0.854 9.952 -5.775 1.00 10.00 C ATOM 938 CG GLU A 66 0.428 8.932 -6.833 1.00 10.00 C ATOM 939 CD GLU A 66 -0.713 9.511 -7.699 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.444 10.332 -8.599 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.912 9.210 -7.433 1.00 10.00 O ATOM 0 H GLU A 66 0.488 8.250 -3.970 1.00 10.00 H new ATOM 0 HA GLU A 66 2.878 9.467 -5.151 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -0.046 10.274 -5.251 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.246 10.823 -6.301 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.279 8.674 -7.464 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.098 8.012 -6.350 1.00 10.00 H new ATOM 948 N GLY A 67 2.814 11.338 -3.347 1.00 10.00 N ATOM 949 CA GLY A 67 2.727 12.349 -2.330 1.00 10.00 C ATOM 950 C GLY A 67 3.915 13.260 -2.356 1.00 10.00 C ATOM 951 O GLY A 67 4.808 13.046 -3.139 1.00 10.00 O ATOM 0 H GLY A 67 3.723 11.249 -3.801 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.817 12.932 -2.473 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.652 11.876 -1.351 1.00 10.00 H new ATOM 955 N HIS A 68 3.924 14.291 -1.534 1.00 10.00 N ATOM 956 CA HIS A 68 5.120 15.129 -1.409 1.00 10.00 C ATOM 957 C HIS A 68 6.207 14.307 -0.691 1.00 10.00 C ATOM 958 O HIS A 68 5.946 13.809 0.381 1.00 10.00 O ATOM 959 CB HIS A 68 4.815 16.438 -0.635 1.00 10.00 C ATOM 960 CG HIS A 68 6.021 17.204 -0.259 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.652 17.070 0.960 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.728 18.033 -0.956 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.735 17.792 0.966 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.815 18.402 -0.196 1.00 10.00 N ATOM 0 H HIS A 68 3.137 14.572 -0.949 1.00 10.00 H new ATOM 0 HA HIS A 68 5.466 15.423 -2.400 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.171 17.069 -1.247 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.256 16.193 0.268 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.505 18.375 -1.956 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.441 17.875 1.779 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.556 19.040 -0.485 1.00 10.00 H new ATOM 973 N PRO A 69 7.449 14.212 -1.277 1.00 10.00 N ATOM 974 CA PRO A 69 8.569 13.339 -0.835 1.00 10.00 C ATOM 975 C PRO A 69 8.636 13.004 0.654 1.00 10.00 C ATOM 976 O PRO A 69 8.653 11.842 1.030 1.00 10.00 O ATOM 977 CB PRO A 69 9.820 14.118 -1.268 1.00 10.00 C ATOM 978 CG PRO A 69 9.329 15.250 -2.125 1.00 10.00 C ATOM 979 CD PRO A 69 7.890 14.965 -2.441 1.00 10.00 C ATOM 0 HA PRO A 69 8.450 12.352 -1.281 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.365 14.493 -0.402 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.505 13.478 -1.823 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.428 16.201 -1.602 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.918 15.326 -3.039 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.315 15.882 -2.572 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.784 14.389 -3.360 1.00 10.00 H new ATOM 987 N ALA A 70 8.631 14.005 1.494 1.00 10.00 N ATOM 988 CA ALA A 70 8.782 13.763 2.917 1.00 10.00 C ATOM 989 C ALA A 70 7.578 13.156 3.551 1.00 10.00 C ATOM 990 O ALA A 70 7.704 12.434 4.515 1.00 10.00 O ATOM 991 CB ALA A 70 9.222 14.972 3.648 1.00 10.00 C ATOM 0 H ALA A 70 8.526 14.985 1.230 1.00 10.00 H new ATOM 0 HA ALA A 70 9.575 13.019 2.996 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.321 14.740 4.709 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.185 15.303 3.258 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.485 15.765 3.517 1.00 10.00 H new ATOM 997 N ALA A 71 6.441 13.417 3.009 1.00 10.00 N ATOM 998 CA ALA A 71 5.221 12.844 3.515 1.00 10.00 C ATOM 999 C ALA A 71 5.211 11.377 3.180 1.00 10.00 C ATOM 1000 O ALA A 71 4.766 10.524 3.961 1.00 10.00 O ATOM 1001 CB ALA A 71 4.076 13.485 2.839 1.00 10.00 C ATOM 0 H ALA A 71 6.319 14.031 2.204 1.00 10.00 H new ATOM 0 HA ALA A 71 5.153 12.993 4.593 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.146 13.058 3.215 1.00 10.00 H new ATOM 0 HB2 ALA A 71 4.090 14.557 3.037 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.145 13.314 1.765 1.00 10.00 H new ATOM 1007 N VAL A 72 5.740 11.102 2.004 1.00 10.00 N ATOM 1008 CA VAL A 72 5.855 9.768 1.492 1.00 10.00 C ATOM 1009 C VAL A 72 6.828 9.025 2.382 1.00 10.00 C ATOM 1010 O VAL A 72 6.576 7.932 2.810 1.00 10.00 O ATOM 1011 CB VAL A 72 6.420 9.748 0.048 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.009 8.527 -0.659 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.000 10.926 -0.742 1.00 10.00 C ATOM 0 H VAL A 72 6.105 11.817 1.374 1.00 10.00 H new ATOM 0 HA VAL A 72 4.865 9.312 1.477 1.00 10.00 H new ATOM 0 HB VAL A 72 7.505 9.773 0.146 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.418 8.537 -1.669 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.383 7.654 -0.125 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.921 8.484 -0.708 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.423 10.862 -1.744 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.912 10.951 -0.808 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.355 11.835 -0.256 1.00 10.00 H new ATOM 1023 N ALA A 73 7.926 9.672 2.688 1.00 10.00 N ATOM 1024 CA ALA A 73 8.953 9.098 3.534 1.00 10.00 C ATOM 1025 C ALA A 73 8.506 8.959 4.979 1.00 10.00 C ATOM 1026 O ALA A 73 8.964 8.091 5.710 1.00 10.00 O ATOM 1027 CB ALA A 73 10.174 9.917 3.488 1.00 10.00 C ATOM 0 H ALA A 73 8.137 10.614 2.358 1.00 10.00 H new ATOM 0 HA ALA A 73 9.153 8.100 3.144 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.935 9.472 4.129 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.543 9.962 2.463 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.950 10.925 3.838 1.00 10.00 H new ATOM 1033 N GLU A 74 7.648 9.829 5.388 1.00 10.00 N ATOM 1034 CA GLU A 74 7.073 9.813 6.720 1.00 10.00 C ATOM 1035 C GLU A 74 6.192 8.587 6.825 1.00 10.00 C ATOM 1036 O GLU A 74 6.119 7.965 7.863 1.00 10.00 O ATOM 1037 CB GLU A 74 6.325 11.152 6.954 1.00 10.00 C ATOM 1038 CG GLU A 74 5.977 11.554 8.390 1.00 10.00 C ATOM 1039 CD GLU A 74 4.891 10.739 9.027 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.720 10.815 8.570 1.00 10.00 O ATOM 1041 OE2 GLU A 74 5.179 10.051 10.034 1.00 10.00 O ATOM 0 H GLU A 74 7.309 10.594 4.805 1.00 10.00 H new ATOM 0 HA GLU A 74 7.825 9.741 7.506 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.931 11.950 6.524 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.396 11.116 6.385 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.876 11.477 9.002 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.676 12.602 8.396 1.00 10.00 H new ATOM 1048 N VAL A 75 5.564 8.193 5.740 1.00 10.00 N ATOM 1049 CA VAL A 75 4.876 6.974 5.789 1.00 10.00 C ATOM 1050 C VAL A 75 5.856 5.805 5.550 1.00 10.00 C ATOM 1051 O VAL A 75 5.689 4.769 6.150 1.00 10.00 O ATOM 1052 CB VAL A 75 3.627 6.903 4.882 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.945 6.648 3.435 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.671 5.896 5.419 1.00 10.00 C ATOM 0 H VAL A 75 5.528 8.696 4.853 1.00 10.00 H new ATOM 0 HA VAL A 75 4.465 6.887 6.795 1.00 10.00 H new ATOM 0 HB VAL A 75 3.162 7.889 4.900 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.020 6.611 2.860 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.577 7.450 3.054 1.00 10.00 H new ATOM 0 HG13 VAL A 75 4.469 5.697 3.340 1.00 10.00 H new ATOM 0 HG21 VAL A 75 1.792 5.850 4.776 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.151 4.918 5.448 1.00 10.00 H new ATOM 0 HG23 VAL A 75 2.369 6.182 6.426 1.00 10.00 H new ATOM 1064 N MET A 76 6.909 5.993 4.676 1.00 10.00 N ATOM 1065 CA MET A 76 7.960 4.988 4.486 1.00 10.00 C ATOM 1066 C MET A 76 8.561 4.591 5.803 1.00 10.00 C ATOM 1067 O MET A 76 8.596 3.434 6.115 1.00 10.00 O ATOM 1068 CB MET A 76 9.073 5.493 3.548 1.00 10.00 C ATOM 1069 CG MET A 76 8.640 5.838 2.135 1.00 10.00 C ATOM 1070 SD MET A 76 8.386 4.469 1.000 1.00 10.00 S ATOM 1071 CE MET A 76 6.965 3.676 1.689 1.00 10.00 C ATOM 0 H MET A 76 7.029 6.832 4.109 1.00 10.00 H new ATOM 0 HA MET A 76 7.489 4.120 4.024 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.525 6.378 3.995 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.850 4.731 3.494 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.711 6.405 2.195 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.390 6.501 1.703 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.346 3.277 0.886 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.283 2.862 2.341 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.389 4.399 2.266 1.00 10.00 H new ATOM 1081 N SER A 77 8.968 5.565 6.586 1.00 10.00 N ATOM 1082 CA SER A 77 9.552 5.331 7.902 1.00 10.00 C ATOM 1083 C SER A 77 8.625 4.472 8.778 1.00 10.00 C ATOM 1084 O SER A 77 9.081 3.529 9.429 1.00 10.00 O ATOM 1085 CB SER A 77 9.901 6.681 8.558 1.00 10.00 C ATOM 1086 OG SER A 77 8.783 7.551 8.545 1.00 10.00 O ATOM 0 H SER A 77 8.906 6.551 6.332 1.00 10.00 H new ATOM 0 HA SER A 77 10.476 4.763 7.791 1.00 10.00 H new ATOM 0 HB2 SER A 77 10.228 6.518 9.585 1.00 10.00 H new ATOM 0 HB3 SER A 77 10.734 7.144 8.028 1.00 10.00 H new ATOM 0 HG SER A 77 8.638 7.884 7.635 1.00 10.00 H new ATOM 1092 N HIS A 78 7.336 4.776 8.760 1.00 10.00 N ATOM 1093 CA HIS A 78 6.355 3.930 9.493 1.00 10.00 C ATOM 1094 C HIS A 78 6.256 2.529 8.855 1.00 10.00 C ATOM 1095 O HIS A 78 6.409 1.505 9.514 1.00 10.00 O ATOM 1096 CB HIS A 78 4.949 4.550 9.506 1.00 10.00 C ATOM 1097 CG HIS A 78 4.783 5.800 10.305 1.00 10.00 C ATOM 1098 ND1 HIS A 78 3.605 6.146 10.891 1.00 10.00 N ATOM 1099 CD2 HIS A 78 5.613 6.827 10.527 1.00 10.00 C ATOM 1100 CE1 HIS A 78 3.706 7.324 11.419 1.00 10.00 C ATOM 1101 NE2 HIS A 78 4.920 7.771 11.214 1.00 10.00 N ATOM 0 H HIS A 78 6.935 5.574 8.267 1.00 10.00 H new ATOM 0 HA HIS A 78 6.720 3.857 10.517 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.659 4.761 8.477 1.00 10.00 H new ATOM 0 HB3 HIS A 78 4.251 3.805 9.887 1.00 10.00 H new ATOM 0 HD2 HIS A 78 6.645 6.892 10.216 1.00 10.00 H new ATOM 0 HE1 HIS A 78 2.921 7.850 11.941 1.00 10.00 H new ATOM 0 HE2 HIS A 78 5.283 8.674 11.519 1.00 10.00 H new ATOM 1110 N ILE A 79 6.029 2.528 7.565 1.00 10.00 N ATOM 1111 CA ILE A 79 5.813 1.349 6.748 1.00 10.00 C ATOM 1112 C ILE A 79 6.983 0.346 6.750 1.00 10.00 C ATOM 1113 O ILE A 79 6.758 -0.852 6.931 1.00 10.00 O ATOM 1114 CB ILE A 79 5.428 1.799 5.305 1.00 10.00 C ATOM 1115 CG1 ILE A 79 3.923 2.100 5.206 1.00 10.00 C ATOM 1116 CG2 ILE A 79 5.928 0.880 4.209 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.475 2.598 3.851 1.00 10.00 C ATOM 0 H ILE A 79 5.987 3.392 7.024 1.00 10.00 H new ATOM 0 HA ILE A 79 4.992 0.790 7.196 1.00 10.00 H new ATOM 0 HB ILE A 79 5.963 2.731 5.122 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.367 1.195 5.449 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.663 2.845 5.958 1.00 10.00 H new ATOM 0 HG21 ILE A 79 5.616 1.267 3.239 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.016 0.828 4.246 1.00 10.00 H new ATOM 0 HG23 ILE A 79 5.512 -0.117 4.352 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.401 2.785 3.869 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.001 3.522 3.611 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.699 1.846 3.095 1.00 10.00 H new ATOM 1129 N GLN A 80 8.187 0.845 6.538 1.00 10.00 N ATOM 1130 CA GLN A 80 9.432 0.091 6.499 1.00 10.00 C ATOM 1131 C GLN A 80 9.761 -0.669 7.757 1.00 10.00 C ATOM 1132 O GLN A 80 10.537 -1.617 7.723 1.00 10.00 O ATOM 1133 CB GLN A 80 10.555 1.017 6.063 1.00 10.00 C ATOM 1134 CG GLN A 80 10.363 1.460 4.625 1.00 10.00 C ATOM 1135 CD GLN A 80 10.407 0.307 3.764 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.448 -0.072 3.287 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.323 -0.265 3.552 1.00 10.00 N ATOM 0 H GLN A 80 8.333 1.842 6.379 1.00 10.00 H new ATOM 0 HA GLN A 80 9.301 -0.704 5.765 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.586 1.890 6.716 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.513 0.507 6.166 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.408 1.975 4.515 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.142 2.169 4.343 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.467 0.091 3.977 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.290 -1.090 2.953 1.00 10.00 H new ATOM 1146 N ARG A 81 9.205 -0.248 8.855 1.00 10.00 N ATOM 1147 CA ARG A 81 9.316 -1.009 10.104 1.00 10.00 C ATOM 1148 C ARG A 81 8.625 -2.388 9.940 1.00 10.00 C ATOM 1149 O ARG A 81 9.119 -3.407 10.415 1.00 10.00 O ATOM 1150 CB ARG A 81 8.673 -0.218 11.227 1.00 10.00 C ATOM 1151 CG ARG A 81 9.396 1.071 11.528 1.00 10.00 C ATOM 1152 CD ARG A 81 8.533 2.038 12.310 1.00 10.00 C ATOM 1153 NE ARG A 81 8.056 1.507 13.587 1.00 10.00 N ATOM 1154 CZ ARG A 81 7.224 2.164 14.393 1.00 10.00 C ATOM 1155 NH1 ARG A 81 6.920 3.431 14.136 1.00 10.00 N ATOM 1156 NH2 ARG A 81 6.752 1.596 15.488 1.00 10.00 N ATOM 0 H ARG A 81 8.667 0.615 8.930 1.00 10.00 H new ATOM 0 HA ARG A 81 10.366 -1.177 10.345 1.00 10.00 H new ATOM 0 HB2 ARG A 81 7.639 0.005 10.962 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.646 -0.832 12.127 1.00 10.00 H new ATOM 0 HG2 ARG A 81 10.302 0.854 12.094 1.00 10.00 H new ATOM 0 HG3 ARG A 81 9.708 1.538 10.594 1.00 10.00 H new ATOM 0 HD2 ARG A 81 9.102 2.949 12.496 1.00 10.00 H new ATOM 0 HD3 ARG A 81 7.674 2.318 11.700 1.00 10.00 H new ATOM 0 HE ARG A 81 8.378 0.583 13.876 1.00 10.00 H new ATOM 0 HH11 ARG A 81 7.323 3.898 13.324 1.00 10.00 H new ATOM 0 HH12 ARG A 81 6.283 3.938 14.751 1.00 10.00 H new ATOM 0 HH21 ARG A 81 7.024 0.642 15.726 1.00 10.00 H new ATOM 0 HH22 ARG A 81 6.115 2.111 16.096 1.00 10.00 H new ATOM 1170 N ASP A 82 7.520 -2.374 9.189 1.00 10.00 N ATOM 1171 CA ASP A 82 6.655 -3.545 8.852 1.00 10.00 C ATOM 1172 C ASP A 82 5.997 -4.145 10.064 1.00 10.00 C ATOM 1173 O ASP A 82 6.522 -4.132 11.182 1.00 10.00 O ATOM 1174 CB ASP A 82 7.350 -4.580 7.969 1.00 10.00 C ATOM 1175 CG ASP A 82 6.442 -5.556 7.186 1.00 10.00 C ATOM 1176 OD1 ASP A 82 5.429 -6.059 7.727 1.00 10.00 O ATOM 1177 OD2 ASP A 82 6.668 -5.738 5.981 1.00 10.00 O ATOM 0 H ASP A 82 7.174 -1.510 8.771 1.00 10.00 H new ATOM 0 HA ASP A 82 5.847 -3.148 8.238 1.00 10.00 H new ATOM 0 HB2 ASP A 82 7.975 -4.048 7.251 1.00 10.00 H new ATOM 0 HB3 ASP A 82 8.018 -5.169 8.598 1.00 10.00 H new ATOM 1182 N ARG A 83 4.863 -4.710 9.808 1.00 10.00 N ATOM 1183 CA ARG A 83 3.879 -5.057 10.802 1.00 10.00 C ATOM 1184 C ARG A 83 2.644 -5.590 10.092 1.00 10.00 C ATOM 1185 O ARG A 83 1.940 -6.459 10.594 1.00 10.00 O ATOM 1186 CB ARG A 83 3.546 -3.768 11.591 1.00 10.00 C ATOM 1187 CG ARG A 83 3.364 -2.542 10.672 1.00 10.00 C ATOM 1188 CD ARG A 83 3.458 -1.235 11.438 1.00 10.00 C ATOM 1189 NE ARG A 83 2.502 -1.119 12.542 1.00 10.00 N ATOM 1190 CZ ARG A 83 2.736 -0.416 13.664 1.00 10.00 C ATOM 1191 NH1 ARG A 83 3.979 -0.096 14.003 1.00 10.00 N ATOM 1192 NH2 ARG A 83 1.742 -0.101 14.479 1.00 10.00 N ATOM 0 H ARG A 83 4.577 -4.957 8.861 1.00 10.00 H new ATOM 0 HA ARG A 83 4.244 -5.823 11.487 1.00 10.00 H new ATOM 0 HB2 ARG A 83 2.634 -3.924 12.167 1.00 10.00 H new ATOM 0 HB3 ARG A 83 4.344 -3.567 12.305 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.124 -2.559 9.891 1.00 10.00 H new ATOM 0 HG3 ARG A 83 2.395 -2.602 10.176 1.00 10.00 H new ATOM 0 HD2 ARG A 83 4.468 -1.130 11.834 1.00 10.00 H new ATOM 0 HD3 ARG A 83 3.299 -0.408 10.746 1.00 10.00 H new ATOM 0 HE ARG A 83 1.607 -1.600 12.454 1.00 10.00 H new ATOM 0 HH11 ARG A 83 4.759 -0.383 13.412 1.00 10.00 H new ATOM 0 HH12 ARG A 83 4.154 0.437 14.855 1.00 10.00 H new ATOM 0 HH21 ARG A 83 0.790 -0.392 14.258 1.00 10.00 H new ATOM 0 HH22 ARG A 83 1.928 0.433 15.328 1.00 10.00 H new ATOM 1206 N ARG A 84 2.401 -5.058 8.887 1.00 10.00 N ATOM 1207 CA ARG A 84 1.231 -5.421 8.107 1.00 10.00 C ATOM 1208 C ARG A 84 1.583 -5.760 6.665 1.00 10.00 C ATOM 1209 O ARG A 84 0.757 -5.658 5.790 1.00 10.00 O ATOM 1210 CB ARG A 84 0.241 -4.284 8.131 1.00 10.00 C ATOM 1211 CG ARG A 84 -0.232 -3.937 9.500 1.00 10.00 C ATOM 1212 CD ARG A 84 -1.199 -2.806 9.461 1.00 10.00 C ATOM 1213 NE ARG A 84 -1.651 -2.485 10.792 1.00 10.00 N ATOM 1214 CZ ARG A 84 -2.354 -1.417 11.112 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -2.711 -0.546 10.176 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -2.714 -1.212 12.364 1.00 10.00 N ATOM 0 H ARG A 84 3.008 -4.372 8.437 1.00 10.00 H new ATOM 0 HA ARG A 84 0.797 -6.314 8.557 1.00 10.00 H new ATOM 0 HB2 ARG A 84 0.699 -3.404 7.680 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -0.618 -4.548 7.514 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -0.703 -4.807 9.957 1.00 10.00 H new ATOM 0 HG3 ARG A 84 0.620 -3.670 10.126 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -0.729 -1.933 9.009 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -2.051 -3.069 8.834 1.00 10.00 H new ATOM 0 HE ARG A 84 -1.409 -3.133 11.542 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -2.441 -0.702 9.205 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -3.255 0.279 10.428 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -2.448 -1.881 13.087 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -3.258 -0.385 12.609 1.00 10.00 H new ATOM 1230 N HIS A 85 2.791 -6.178 6.429 1.00 10.00 N ATOM 1231 CA HIS A 85 3.221 -6.599 5.118 1.00 10.00 C ATOM 1232 C HIS A 85 4.111 -7.752 5.406 1.00 10.00 C ATOM 1233 O HIS A 85 3.989 -8.337 6.465 1.00 10.00 O ATOM 1234 CB HIS A 85 4.023 -5.522 4.311 1.00 10.00 C ATOM 1235 CG HIS A 85 4.068 -4.114 4.835 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.788 -3.019 4.071 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.521 -3.625 6.012 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.078 -1.949 4.748 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.510 -2.296 5.936 1.00 10.00 N ATOM 0 H HIS A 85 3.516 -6.239 7.144 1.00 10.00 H new ATOM 0 HA HIS A 85 2.355 -6.815 4.492 1.00 10.00 H new ATOM 0 HB2 HIS A 85 5.051 -5.874 4.220 1.00 10.00 H new ATOM 0 HB3 HIS A 85 3.608 -5.487 3.304 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.836 -4.210 6.864 1.00 10.00 H new ATOM 0 HE1 HIS A 85 3.979 -0.935 4.389 1.00 10.00 H new ATOM 0 HE2 HIS A 85 4.791 -1.655 6.678 1.00 10.00 H new ATOM 1248 N SER A 86 4.962 -8.127 4.511 1.00 10.00 N ATOM 1249 CA SER A 86 5.868 -9.187 4.869 1.00 10.00 C ATOM 1250 C SER A 86 7.321 -8.789 4.774 1.00 10.00 C ATOM 1251 O SER A 86 8.191 -9.482 5.301 1.00 10.00 O ATOM 1252 CB SER A 86 5.608 -10.392 4.047 1.00 10.00 C ATOM 1253 OG SER A 86 6.010 -11.584 4.714 1.00 10.00 O ATOM 0 H SER A 86 5.056 -7.744 3.570 1.00 10.00 H new ATOM 0 HA SER A 86 5.677 -9.413 5.918 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.545 -10.448 3.811 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.141 -10.308 3.100 1.00 10.00 H new ATOM 0 HG SER A 86 6.844 -11.420 5.202 1.00 10.00 H new ATOM 1259 N ASN A 87 7.587 -7.652 4.183 1.00 10.00 N ATOM 1260 CA ASN A 87 8.981 -7.288 3.854 1.00 10.00 C ATOM 1261 C ASN A 87 9.115 -5.816 3.732 1.00 10.00 C ATOM 1262 O ASN A 87 9.949 -5.160 4.351 1.00 10.00 O ATOM 1263 CB ASN A 87 9.477 -7.819 2.476 1.00 10.00 C ATOM 1264 CG ASN A 87 9.273 -9.279 2.057 1.00 10.00 C ATOM 1265 OD1 ASN A 87 9.072 -9.523 0.893 1.00 10.00 O ATOM 1266 ND2 ASN A 87 9.352 -10.208 2.921 1.00 10.00 N ATOM 0 H ASN A 87 6.886 -6.961 3.916 1.00 10.00 H new ATOM 0 HA ASN A 87 9.563 -7.729 4.664 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.006 -7.202 1.711 1.00 10.00 H new ATOM 0 HB3 ASN A 87 10.548 -7.623 2.429 1.00 10.00 H new ATOM 0 HD21 ASN A 87 9.245 -11.181 2.635 1.00 10.00 H new ATOM 0 HD22 ASN A 87 9.523 -9.980 3.901 1.00 10.00 H new ATOM 1273 N VAL A 88 8.268 -5.366 2.903 1.00 10.00 N ATOM 1274 CA VAL A 88 8.183 -4.082 2.354 1.00 10.00 C ATOM 1275 C VAL A 88 9.464 -3.464 1.876 1.00 10.00 C ATOM 1276 O VAL A 88 10.135 -2.732 2.582 1.00 10.00 O ATOM 1277 CB VAL A 88 7.230 -3.144 3.086 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.628 -2.824 4.458 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.937 -1.915 2.329 1.00 10.00 C ATOM 0 H VAL A 88 7.524 -5.967 2.549 1.00 10.00 H new ATOM 0 HA VAL A 88 7.686 -4.270 1.402 1.00 10.00 H new ATOM 0 HB VAL A 88 6.309 -3.722 3.161 1.00 10.00 H new ATOM 0 HG11 VAL A 88 6.894 -2.152 4.902 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.682 -3.741 5.044 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.605 -2.340 4.450 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.254 -1.289 2.902 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.863 -1.370 2.148 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.477 -2.176 1.376 1.00 10.00 H new ATOM 1289 N GLU A 89 9.811 -3.804 0.677 1.00 10.00 N ATOM 1290 CA GLU A 89 10.933 -3.178 0.052 1.00 10.00 C ATOM 1291 C GLU A 89 10.471 -2.270 -1.048 1.00 10.00 C ATOM 1292 O GLU A 89 9.843 -2.713 -2.009 1.00 10.00 O ATOM 1293 CB GLU A 89 11.958 -4.166 -0.448 1.00 10.00 C ATOM 1294 CG GLU A 89 13.330 -3.967 0.179 1.00 10.00 C ATOM 1295 CD GLU A 89 13.926 -2.587 -0.044 1.00 10.00 C ATOM 1296 OE1 GLU A 89 13.418 -1.605 0.517 1.00 10.00 O ATOM 1297 OE2 GLU A 89 14.935 -2.459 -0.768 1.00 10.00 O ATOM 0 H GLU A 89 9.337 -4.508 0.112 1.00 10.00 H new ATOM 0 HA GLU A 89 11.437 -2.585 0.815 1.00 10.00 H new ATOM 0 HB2 GLU A 89 11.612 -5.178 -0.238 1.00 10.00 H new ATOM 0 HB3 GLU A 89 12.043 -4.076 -1.531 1.00 10.00 H new ATOM 0 HG2 GLU A 89 13.256 -4.149 1.251 1.00 10.00 H new ATOM 0 HG3 GLU A 89 14.013 -4.714 -0.225 1.00 10.00 H new ATOM 1304 N ILE A 90 10.704 -1.009 -0.826 1.00 10.00 N ATOM 1305 CA ILE A 90 10.383 0.086 -1.743 1.00 10.00 C ATOM 1306 C ILE A 90 10.928 -0.201 -3.123 1.00 10.00 C ATOM 1307 O ILE A 90 10.193 -0.574 -4.015 1.00 10.00 O ATOM 1308 CB ILE A 90 10.891 1.477 -1.201 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.743 1.541 0.304 1.00 10.00 C ATOM 1310 CG2 ILE A 90 10.084 2.646 -1.789 1.00 10.00 C ATOM 1311 CD1 ILE A 90 9.333 1.307 0.765 1.00 10.00 C ATOM 0 H ILE A 90 11.143 -0.684 0.035 1.00 10.00 H new ATOM 0 HA ILE A 90 9.297 0.153 -1.812 1.00 10.00 H new ATOM 0 HB ILE A 90 11.936 1.565 -1.498 1.00 10.00 H new ATOM 0 HG12 ILE A 90 11.397 0.797 0.760 1.00 10.00 H new ATOM 0 HG13 ILE A 90 11.077 2.517 0.655 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.464 3.587 -1.391 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.181 2.645 -2.875 1.00 10.00 H new ATOM 0 HG23 ILE A 90 9.034 2.536 -1.518 1.00 10.00 H new ATOM 0 HD11 ILE A 90 9.291 1.365 1.853 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.679 2.066 0.336 1.00 10.00 H new ATOM 0 HD13 ILE A 90 9.004 0.319 0.442 1.00 10.00 H new ATOM 1323 N LEU A 91 12.198 -0.061 -3.253 1.00 10.00 N ATOM 1324 CA LEU A 91 12.975 -0.315 -4.478 1.00 10.00 C ATOM 1325 C LEU A 91 12.816 0.804 -5.488 1.00 10.00 C ATOM 1326 O LEU A 91 13.764 1.146 -6.194 1.00 10.00 O ATOM 1327 CB LEU A 91 12.642 -1.679 -5.131 1.00 10.00 C ATOM 1328 CG LEU A 91 12.878 -2.925 -4.284 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.333 -4.151 -4.994 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.359 -3.099 -4.002 1.00 10.00 C ATOM 0 H LEU A 91 12.785 0.251 -2.479 1.00 10.00 H new ATOM 0 HA LEU A 91 14.018 -0.352 -4.163 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.594 -1.665 -5.430 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.232 -1.772 -6.043 1.00 10.00 H new ATOM 0 HG LEU A 91 12.355 -2.806 -3.335 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.507 -5.035 -4.380 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.263 -4.030 -5.160 1.00 10.00 H new ATOM 0 HD13 LEU A 91 12.837 -4.270 -5.953 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.512 -3.992 -3.397 1.00 10.00 H new ATOM 0 HD22 LEU A 91 14.899 -3.202 -4.943 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.732 -2.228 -3.463 1.00 10.00 H new ATOM 1342 N ALA A 92 11.653 1.402 -5.534 1.00 10.00 N ATOM 1343 CA ALA A 92 11.394 2.419 -6.514 1.00 10.00 C ATOM 1344 C ALA A 92 10.836 3.665 -5.886 1.00 10.00 C ATOM 1345 O ALA A 92 9.808 3.625 -5.227 1.00 10.00 O ATOM 1346 CB ALA A 92 10.441 1.894 -7.556 1.00 10.00 C ATOM 0 H ALA A 92 10.875 1.202 -4.906 1.00 10.00 H new ATOM 0 HA ALA A 92 12.342 2.681 -6.984 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.248 2.670 -8.297 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.880 1.025 -8.046 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.504 1.606 -7.080 1.00 10.00 H new ATOM 1352 N GLU A 93 11.531 4.758 -6.056 1.00 10.00 N ATOM 1353 CA GLU A 93 11.066 6.044 -5.592 1.00 10.00 C ATOM 1354 C GLU A 93 11.344 7.051 -6.685 1.00 10.00 C ATOM 1355 O GLU A 93 12.498 7.359 -6.985 1.00 10.00 O ATOM 1356 CB GLU A 93 11.758 6.461 -4.286 1.00 10.00 C ATOM 1357 CG GLU A 93 11.563 5.495 -3.159 1.00 10.00 C ATOM 1358 CD GLU A 93 12.306 5.883 -1.917 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.762 6.652 -1.104 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.452 5.419 -1.732 1.00 10.00 O ATOM 0 H GLU A 93 12.438 4.785 -6.521 1.00 10.00 H new ATOM 0 HA GLU A 93 9.999 5.992 -5.376 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.826 6.575 -4.473 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.381 7.438 -3.983 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.500 5.422 -2.931 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.890 4.505 -3.476 1.00 10.00 H new ATOM 1367 N GLU A 94 10.310 7.533 -7.291 1.00 10.00 N ATOM 1368 CA GLU A 94 10.435 8.451 -8.402 1.00 10.00 C ATOM 1369 C GLU A 94 9.689 9.741 -8.132 1.00 10.00 C ATOM 1370 O GLU A 94 8.657 9.734 -7.462 1.00 10.00 O ATOM 1371 CB GLU A 94 9.956 7.782 -9.707 1.00 10.00 C ATOM 1372 CG GLU A 94 8.592 7.111 -9.598 1.00 10.00 C ATOM 1373 CD GLU A 94 8.124 6.510 -10.898 1.00 10.00 C ATOM 1374 OE1 GLU A 94 8.426 5.339 -11.176 1.00 10.00 O ATOM 1375 OE2 GLU A 94 7.427 7.201 -11.667 1.00 10.00 O ATOM 0 H GLU A 94 9.348 7.308 -7.038 1.00 10.00 H new ATOM 0 HA GLU A 94 11.488 8.707 -8.521 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.917 8.534 -10.495 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.692 7.038 -10.012 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.637 6.330 -8.839 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.859 7.843 -9.258 1.00 10.00 H new ATOM 1382 N SER A 95 10.232 10.840 -8.602 1.00 10.00 N ATOM 1383 CA SER A 95 9.612 12.120 -8.438 1.00 10.00 C ATOM 1384 C SER A 95 8.519 12.291 -9.470 1.00 10.00 C ATOM 1385 O SER A 95 8.761 12.207 -10.681 1.00 10.00 O ATOM 1386 CB SER A 95 10.657 13.216 -8.528 1.00 10.00 C ATOM 1387 OG SER A 95 11.666 12.999 -7.541 1.00 10.00 O ATOM 0 H SER A 95 11.117 10.864 -9.108 1.00 10.00 H new ATOM 0 HA SER A 95 9.152 12.187 -7.452 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.103 13.226 -9.522 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.191 14.190 -8.378 1.00 10.00 H new ATOM 0 HG SER A 95 12.341 13.707 -7.602 1.00 10.00 H new ATOM 1393 N ILE A 96 7.328 12.494 -8.999 1.00 10.00 N ATOM 1394 CA ILE A 96 6.183 12.572 -9.868 1.00 10.00 C ATOM 1395 C ILE A 96 5.485 13.906 -9.899 1.00 10.00 C ATOM 1396 O ILE A 96 5.850 14.852 -9.192 1.00 10.00 O ATOM 1397 CB ILE A 96 5.148 11.528 -9.553 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.753 11.585 -8.096 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.640 10.152 -9.970 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.452 10.958 -7.782 1.00 10.00 C ATOM 0 H ILE A 96 7.117 12.610 -8.008 1.00 10.00 H new ATOM 0 HA ILE A 96 6.625 12.402 -10.850 1.00 10.00 H new ATOM 0 HB ILE A 96 4.247 11.736 -10.130 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.528 11.097 -7.505 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.723 12.629 -7.783 1.00 10.00 H new ATOM 0 HG21 ILE A 96 4.880 9.407 -9.735 1.00 10.00 H new ATOM 0 HG22 ILE A 96 5.836 10.145 -11.042 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.558 9.915 -9.432 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.253 11.048 -6.714 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.662 11.459 -8.341 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.480 9.904 -8.059 1.00 10.00 H new ATOM 1412 N ALA A 97 4.473 13.974 -10.754 1.00 10.00 N ATOM 1413 CA ALA A 97 3.610 15.135 -10.854 1.00 10.00 C ATOM 1414 C ALA A 97 2.301 14.842 -10.231 1.00 10.00 C ATOM 1415 O ALA A 97 1.448 15.714 -10.056 1.00 10.00 O ATOM 1416 CB ALA A 97 3.419 15.561 -12.259 1.00 10.00 C ATOM 0 H ALA A 97 4.230 13.221 -11.398 1.00 10.00 H new ATOM 0 HA ALA A 97 4.094 15.956 -10.324 1.00 10.00 H new ATOM 0 HB1 ALA A 97 2.766 16.433 -12.289 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.384 15.815 -12.697 1.00 10.00 H new ATOM 0 HB3 ALA A 97 2.965 14.749 -12.827 1.00 10.00 H new ATOM 1422 N LYS A 98 2.201 13.625 -9.852 1.00 10.00 N ATOM 1423 CA LYS A 98 1.090 13.049 -9.241 1.00 10.00 C ATOM 1424 C LYS A 98 -0.197 13.249 -10.073 1.00 10.00 C ATOM 1425 O LYS A 98 -0.129 13.361 -11.317 1.00 10.00 O ATOM 1426 CB LYS A 98 1.072 13.656 -7.884 1.00 10.00 C ATOM 1427 CG LYS A 98 0.305 12.965 -6.887 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.811 13.758 -6.375 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.421 14.299 -5.095 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.483 15.118 -4.494 1.00 10.00 N ATOM 0 H LYS A 98 2.964 12.960 -9.977 1.00 10.00 H new ATOM 0 HA LYS A 98 1.144 11.963 -9.168 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.100 13.734 -7.531 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.686 14.672 -7.969 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.080 12.037 -7.311 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.959 12.690 -6.059 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -1.058 14.561 -7.069 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.703 13.140 -6.272 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.167 13.482 -4.419 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.478 14.904 -5.216 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.146 16.095 -4.382 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -2.320 15.109 -5.111 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.736 14.730 -3.563 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.326 13.134 -9.404 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.659 13.422 -9.924 1.00 10.00 C ATOM 1446 C ARG A 99 -3.198 12.220 -10.686 1.00 10.00 C ATOM 1447 O ARG A 99 -4.163 12.306 -11.452 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.656 14.754 -10.748 1.00 10.00 C ATOM 1449 CG ARG A 99 -4.012 15.309 -11.161 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.812 15.768 -9.962 1.00 10.00 C ATOM 1451 NE ARG A 99 -6.093 16.375 -10.347 1.00 10.00 N ATOM 1452 CZ ARG A 99 -6.782 17.241 -9.593 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -6.292 17.657 -8.426 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -7.948 17.711 -10.018 1.00 10.00 N ATOM 0 H ARG A 99 -1.346 12.822 -8.433 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.350 13.590 -9.098 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.142 15.515 -10.161 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -2.065 14.594 -11.650 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.871 16.144 -11.847 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.570 14.544 -11.701 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.998 14.918 -9.305 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -4.227 16.490 -9.392 1.00 10.00 H new ATOM 0 HE ARG A 99 -6.486 16.119 -11.253 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -5.387 17.316 -8.102 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -6.822 18.317 -7.856 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -8.320 17.413 -10.920 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -8.472 18.371 -9.443 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.637 11.086 -10.390 1.00 10.00 N ATOM 1469 CA ARG A 100 -3.007 9.882 -11.059 1.00 10.00 C ATOM 1470 C ARG A 100 -4.213 9.232 -10.412 1.00 10.00 C ATOM 1471 O ARG A 100 -5.242 9.031 -11.067 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.839 8.938 -11.062 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.616 9.508 -11.742 1.00 10.00 C ATOM 1474 CD ARG A 100 0.581 8.588 -11.555 1.00 10.00 C ATOM 1475 NE ARG A 100 0.271 7.208 -11.965 1.00 10.00 N ATOM 1476 CZ ARG A 100 1.000 6.120 -11.676 1.00 10.00 C ATOM 1477 NH1 ARG A 100 2.203 6.235 -11.109 1.00 10.00 N ATOM 1478 NH2 ARG A 100 0.534 4.922 -11.990 1.00 10.00 N ATOM 0 H ARG A 100 -1.913 10.973 -9.680 1.00 10.00 H new ATOM 0 HA ARG A 100 -3.284 10.127 -12.085 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.587 8.678 -10.034 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -2.128 8.014 -11.563 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.815 9.643 -12.805 1.00 10.00 H new ATOM 0 HG3 ARG A 100 -0.392 10.493 -11.332 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.423 8.961 -12.138 1.00 10.00 H new ATOM 0 HD3 ARG A 100 0.889 8.598 -10.509 1.00 10.00 H new ATOM 0 HE ARG A 100 -0.574 7.067 -12.519 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.578 7.158 -10.891 1.00 10.00 H new ATOM 0 HH12 ARG A 100 2.748 5.400 -10.894 1.00 10.00 H new ATOM 0 HH21 ARG A 100 -0.373 4.832 -12.448 1.00 10.00 H new ATOM 0 HH22 ARG A 100 1.082 4.089 -11.774 1.00 10.00 H new ATOM 1492 N PHE A 101 -4.125 8.926 -9.131 1.00 10.00 N ATOM 1493 CA PHE A 101 -5.215 8.191 -8.497 1.00 10.00 C ATOM 1494 C PHE A 101 -6.137 9.051 -7.692 1.00 10.00 C ATOM 1495 O PHE A 101 -7.268 8.661 -7.387 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.728 6.937 -7.759 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.309 5.843 -8.709 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.135 5.939 -9.436 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.114 4.737 -8.900 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -2.777 4.956 -10.329 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -4.760 3.749 -9.796 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.590 3.860 -10.510 1.00 10.00 C ATOM 0 H PHE A 101 -3.341 9.163 -8.523 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.840 7.827 -9.313 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.888 7.199 -7.116 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.522 6.568 -7.110 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.492 6.796 -9.300 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.033 4.644 -8.340 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -1.857 5.044 -10.889 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.400 2.891 -9.936 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.309 3.088 -11.212 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.652 10.210 -7.362 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.386 11.281 -6.615 1.00 10.00 C ATOM 1514 C ALA A 102 -6.764 10.923 -5.157 1.00 10.00 C ATOM 1515 O ALA A 102 -7.075 11.811 -4.350 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.579 11.811 -7.399 1.00 10.00 C ATOM 0 H ALA A 102 -4.698 10.482 -7.599 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.660 12.088 -6.518 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -8.081 12.585 -6.819 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.236 12.231 -8.344 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.276 10.996 -7.596 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.756 9.675 -4.850 1.00 10.00 N ATOM 1523 CA GLY A 103 -6.928 9.197 -3.513 1.00 10.00 C ATOM 1524 C GLY A 103 -6.229 7.885 -3.401 1.00 10.00 C ATOM 1525 O GLY A 103 -5.867 7.326 -4.426 1.00 10.00 O ATOM 0 H GLY A 103 -6.626 8.932 -5.537 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.518 9.910 -2.797 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -7.987 9.086 -3.281 1.00 10.00 H new ATOM 1529 N TRP A 104 -5.975 7.409 -2.206 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.419 6.077 -2.060 1.00 10.00 C ATOM 1531 C TRP A 104 -6.522 5.051 -2.239 1.00 10.00 C ATOM 1532 O TRP A 104 -7.619 5.207 -1.704 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.614 5.903 -0.741 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.292 4.473 -0.360 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.146 3.759 -0.587 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.167 3.608 0.330 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.291 2.486 -0.069 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.538 2.384 0.488 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.442 3.768 0.814 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -5.173 1.335 1.131 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -7.056 2.791 1.418 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -6.447 1.582 1.584 1.00 10.00 C ATOM 0 H TRP A 104 -6.139 7.910 -1.333 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.680 5.915 -2.845 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.679 6.457 -0.830 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.179 6.359 0.072 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.267 4.132 -1.092 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.588 1.747 -0.097 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.943 4.717 0.692 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.694 0.377 1.269 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -8.058 2.940 1.791 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.984 0.792 2.088 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.248 4.048 -3.033 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.212 3.037 -3.357 1.00 10.00 C ATOM 1555 C HIS A 105 -6.728 1.687 -2.894 1.00 10.00 C ATOM 1556 O HIS A 105 -5.539 1.492 -2.681 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.405 3.011 -4.873 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.070 4.232 -5.443 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.974 4.592 -6.763 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -8.829 5.184 -4.856 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.631 5.710 -6.961 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.157 6.085 -5.818 1.00 10.00 N ATOM 0 H HIS A 105 -5.339 3.912 -3.476 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.155 3.263 -2.858 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.431 2.890 -5.347 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -7.999 2.135 -5.135 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -9.120 5.221 -3.817 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -8.723 6.232 -7.902 1.00 10.00 H new ATOM 0 HE2 HIS A 105 -9.723 6.921 -5.675 1.00 10.00 H new ATOM 1571 N MET A 106 -7.623 0.772 -2.737 1.00 10.00 N ATOM 1572 CA MET A 106 -7.263 -0.572 -2.371 1.00 10.00 C ATOM 1573 C MET A 106 -8.057 -1.505 -3.241 1.00 10.00 C ATOM 1574 O MET A 106 -9.278 -1.384 -3.308 1.00 10.00 O ATOM 1575 CB MET A 106 -7.529 -0.835 -0.885 1.00 10.00 C ATOM 1576 CG MET A 106 -7.028 -2.185 -0.413 1.00 10.00 C ATOM 1577 SD MET A 106 -7.214 -2.430 1.358 1.00 10.00 S ATOM 1578 CE MET A 106 -6.382 -4.010 1.571 1.00 10.00 C ATOM 0 H MET A 106 -8.624 0.925 -2.856 1.00 10.00 H new ATOM 0 HA MET A 106 -6.196 -0.731 -2.524 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.053 -0.052 -0.294 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.601 -0.768 -0.698 1.00 10.00 H new ATOM 0 HG2 MET A 106 -7.569 -2.971 -0.941 1.00 10.00 H new ATOM 0 HG3 MET A 106 -5.976 -2.288 -0.679 1.00 10.00 H new ATOM 0 HE1 MET A 106 -6.705 -4.468 2.506 1.00 10.00 H new ATOM 0 HE2 MET A 106 -6.632 -4.668 0.739 1.00 10.00 H new ATOM 0 HE3 MET A 106 -5.304 -3.853 1.598 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.380 -2.402 -3.938 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.057 -3.269 -4.889 1.00 10.00 C ATOM 1590 C GLN A 107 -8.979 -4.236 -4.169 1.00 10.00 C ATOM 1591 O GLN A 107 -10.182 -4.266 -4.416 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.054 -4.008 -5.777 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.684 -4.756 -6.954 1.00 10.00 C ATOM 1594 CD GLN A 107 -8.392 -3.840 -7.965 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -8.937 -2.783 -7.624 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -8.378 -4.228 -9.199 1.00 10.00 N ATOM 0 H GLN A 107 -6.373 -2.549 -3.865 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.668 -2.645 -5.541 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -6.331 -3.290 -6.164 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.500 -4.719 -5.165 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.908 -5.320 -7.471 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -8.402 -5.480 -6.569 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -7.921 -5.104 -9.453 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -8.823 -3.658 -9.918 1.00 10.00 H new