USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=16 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 44 HIS : no HD1:sc= 1.07 K(o=1.1,f=-6.6!) USER MOD Set 1.2: A 45 ASN : amide:sc= 0 K(o=1.1,f=-0.23) USER MOD Set 2.1: A 21 TYR OH : rot 19:sc= 0.266 USER MOD Set 2.2: A 23 SER OG : rot 173:sc= -0.603 USER MOD Set 2.3: A 85 HIS : no HD1:sc= -7.24! C(o=-7.6!,f=-9.6!) USER MOD Set 3.1: A 19 CYS SG : rot 24:sc= -0.598 USER MOD Set 3.2: A 76 MET CE :methyl 153:sc= -3.39! (180deg=-6.24!) USER MOD Set 3.3: A 80 GLN : amide:sc= -5.01! K(o=-9!,f=-7.4) USER MOD Set 4.1: A 18 SER OG : rot 180:sc= -0.292 USER MOD Set 4.2: A 20 CYS SG : rot -56:sc= 0.363 USER MOD Single : A 30 THR OG1 : rot 136:sc= 1.34 USER MOD Single : A 40 THR OG1 : rot 78:sc= 0.544 USER MOD Single : A 41 SER OG : rot 93:sc= 1.25 USER MOD Single : A 42 GLN : amide:sc= -3.49! K(o=-3.5!,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= 0.926 K(o=0.93,f=-0.027) USER MOD Single : A 51 THR OG1 : rot 125:sc= -0.559 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= -0.0616 X(o=-0.062,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= -0.999 K(o=-1,f=-7.5!) USER MOD Single : A 68 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-0.26) USER MOD Single : A 77 SER OG : rot -7:sc= 0.0566 USER MOD Single : A 78 HIS : no HE2:sc= 0.97 K(o=0.97,f=-4.7!) USER MOD Single : A 86 SER OG : rot -160:sc= -0.712 USER MOD Single : A 87 ASN : amide:sc= -0.769 K(o=-0.77,f=-2.6) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 7.322 18.906 -6.564 1.00 10.00 N ATOM 139 CA ASP A 15 7.588 18.266 -5.342 1.00 10.00 C ATOM 140 C ASP A 15 6.664 17.152 -5.059 1.00 10.00 C ATOM 141 O ASP A 15 6.124 17.030 -3.971 1.00 10.00 O ATOM 142 CB ASP A 15 7.613 19.275 -4.212 1.00 10.00 C ATOM 143 CG ASP A 15 6.378 20.176 -4.171 1.00 10.00 C ATOM 144 OD1 ASP A 15 6.269 21.083 -5.022 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.500 19.998 -3.304 1.00 10.00 O ATOM 0 HA ASP A 15 8.576 17.813 -5.426 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.697 18.744 -3.264 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.503 19.896 -4.310 1.00 10.00 H new ATOM 150 N LEU A 16 6.522 16.338 -6.000 1.00 10.00 N ATOM 151 CA LEU A 16 5.820 15.144 -5.841 1.00 10.00 C ATOM 152 C LEU A 16 6.747 14.022 -6.114 1.00 10.00 C ATOM 153 O LEU A 16 7.667 14.136 -6.922 1.00 10.00 O ATOM 154 CB LEU A 16 4.590 15.051 -6.709 1.00 10.00 C ATOM 155 CG LEU A 16 3.571 16.178 -6.650 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.215 16.646 -5.250 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.887 17.283 -7.616 1.00 10.00 C ATOM 0 H LEU A 16 6.900 16.481 -6.936 1.00 10.00 H new ATOM 0 HA LEU A 16 5.452 15.101 -4.816 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.921 14.958 -7.743 1.00 10.00 H new ATOM 0 HB3 LEU A 16 4.075 14.125 -6.455 1.00 10.00 H new ATOM 0 HG LEU A 16 2.635 15.739 -6.997 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.482 17.451 -5.311 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.795 15.815 -4.684 1.00 10.00 H new ATOM 0 HD13 LEU A 16 4.112 17.009 -4.749 1.00 10.00 H new ATOM 0 HD21 LEU A 16 3.131 18.064 -7.536 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.866 17.701 -7.383 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.894 16.887 -8.632 1.00 10.00 H new ATOM 169 N VAL A 17 6.518 12.968 -5.442 1.00 10.00 N ATOM 170 CA VAL A 17 7.274 11.805 -5.484 1.00 10.00 C ATOM 171 C VAL A 17 6.316 10.633 -5.201 1.00 10.00 C ATOM 172 O VAL A 17 5.303 10.811 -4.531 1.00 10.00 O ATOM 173 CB VAL A 17 8.421 11.837 -4.423 1.00 10.00 C ATOM 174 CG1 VAL A 17 9.012 10.495 -4.259 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.514 12.831 -4.768 1.00 10.00 C ATOM 0 H VAL A 17 5.730 12.899 -4.798 1.00 10.00 H new ATOM 0 HA VAL A 17 7.747 11.698 -6.460 1.00 10.00 H new ATOM 0 HB VAL A 17 7.965 12.160 -3.487 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.809 10.537 -3.516 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.243 9.797 -3.928 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.421 10.159 -5.212 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.283 12.809 -3.996 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.957 12.566 -5.728 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.089 13.833 -4.828 1.00 10.00 H new ATOM 185 N SER A 18 6.597 9.504 -5.740 1.00 10.00 N ATOM 186 CA SER A 18 5.824 8.340 -5.481 1.00 10.00 C ATOM 187 C SER A 18 6.734 7.221 -5.017 1.00 10.00 C ATOM 188 O SER A 18 7.809 6.994 -5.597 1.00 10.00 O ATOM 189 CB SER A 18 5.026 7.904 -6.719 1.00 10.00 C ATOM 190 OG SER A 18 5.877 7.584 -7.801 1.00 10.00 O ATOM 0 H SER A 18 7.377 9.357 -6.380 1.00 10.00 H new ATOM 0 HA SER A 18 5.105 8.574 -4.696 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.412 7.039 -6.470 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.346 8.703 -7.014 1.00 10.00 H new ATOM 0 HG SER A 18 5.337 7.309 -8.571 1.00 10.00 H new ATOM 196 N CYS A 19 6.369 6.571 -3.964 1.00 10.00 N ATOM 197 CA CYS A 19 7.107 5.430 -3.537 1.00 10.00 C ATOM 198 C CYS A 19 6.342 4.222 -4.021 1.00 10.00 C ATOM 199 O CYS A 19 5.168 4.058 -3.677 1.00 10.00 O ATOM 200 CB CYS A 19 7.274 5.420 -2.012 1.00 10.00 C ATOM 201 SG CYS A 19 5.741 5.212 -1.083 1.00 10.00 S ATOM 0 H CYS A 19 5.565 6.809 -3.383 1.00 10.00 H new ATOM 0 HA CYS A 19 8.116 5.436 -3.949 1.00 10.00 H new ATOM 0 HB2 CYS A 19 7.958 4.616 -1.741 1.00 10.00 H new ATOM 0 HB3 CYS A 19 7.744 6.355 -1.706 1.00 10.00 H new ATOM 0 HG CYS A 19 4.856 4.624 -1.832 1.00 10.00 H new ATOM 207 N CYS A 20 6.957 3.423 -4.835 1.00 10.00 N ATOM 208 CA CYS A 20 6.302 2.282 -5.408 1.00 10.00 C ATOM 209 C CYS A 20 6.864 1.095 -4.725 1.00 10.00 C ATOM 210 O CYS A 20 8.015 0.813 -4.908 1.00 10.00 O ATOM 211 CB CYS A 20 6.590 2.224 -6.912 1.00 10.00 C ATOM 212 SG CYS A 20 6.119 3.727 -7.817 1.00 10.00 S ATOM 0 H CYS A 20 7.928 3.541 -5.123 1.00 10.00 H new ATOM 0 HA CYS A 20 5.221 2.329 -5.280 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.654 2.042 -7.060 1.00 10.00 H new ATOM 0 HB3 CYS A 20 6.059 1.374 -7.340 1.00 10.00 H new ATOM 0 HG CYS A 20 4.861 3.982 -7.611 1.00 10.00 H new ATOM 218 N TYR A 21 6.097 0.430 -3.899 1.00 10.00 N ATOM 219 CA TYR A 21 6.669 -0.627 -3.140 1.00 10.00 C ATOM 220 C TYR A 21 5.896 -1.904 -3.268 1.00 10.00 C ATOM 221 O TYR A 21 4.707 -1.915 -3.629 1.00 10.00 O ATOM 222 CB TYR A 21 6.779 -0.236 -1.660 1.00 10.00 C ATOM 223 CG TYR A 21 5.597 -0.383 -0.710 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.182 -1.639 -0.238 1.00 10.00 C ATOM 225 CD2 TYR A 21 4.965 0.741 -0.204 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.174 -1.744 0.693 1.00 10.00 C ATOM 227 CE2 TYR A 21 3.964 0.636 0.711 1.00 10.00 C ATOM 228 CZ TYR A 21 3.570 -0.612 1.161 1.00 10.00 C ATOM 229 OH TYR A 21 2.584 -0.729 2.106 1.00 10.00 O ATOM 0 H TYR A 21 5.104 0.602 -3.744 1.00 10.00 H new ATOM 0 HA TYR A 21 7.666 -0.799 -3.546 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.599 -0.817 -1.238 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.082 0.811 -1.630 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.660 -2.533 -0.610 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.273 1.719 -0.542 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.863 -2.714 1.051 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.478 1.525 1.086 1.00 10.00 H new ATOM 0 HH TYR A 21 2.649 -1.606 2.539 1.00 10.00 H new ATOM 239 N ARG A 22 6.549 -2.966 -2.932 1.00 10.00 N ATOM 240 CA ARG A 22 5.940 -4.257 -2.888 1.00 10.00 C ATOM 241 C ARG A 22 6.099 -4.818 -1.499 1.00 10.00 C ATOM 242 O ARG A 22 6.894 -4.326 -0.698 1.00 10.00 O ATOM 243 CB ARG A 22 6.592 -5.239 -3.838 1.00 10.00 C ATOM 244 CG ARG A 22 7.990 -5.651 -3.418 1.00 10.00 C ATOM 245 CD ARG A 22 8.399 -6.890 -4.123 1.00 10.00 C ATOM 246 NE ARG A 22 9.684 -7.396 -3.643 1.00 10.00 N ATOM 247 CZ ARG A 22 10.565 -8.086 -4.377 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.216 -8.572 -5.571 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.764 -8.346 -3.891 1.00 10.00 N ATOM 0 H ARG A 22 7.536 -2.963 -2.676 1.00 10.00 H new ATOM 0 HA ARG A 22 4.896 -4.130 -3.174 1.00 10.00 H new ATOM 0 HB2 ARG A 22 5.967 -6.129 -3.913 1.00 10.00 H new ATOM 0 HB3 ARG A 22 6.636 -4.795 -4.833 1.00 10.00 H new ATOM 0 HG2 ARG A 22 8.694 -4.849 -3.641 1.00 10.00 H new ATOM 0 HG3 ARG A 22 8.020 -5.812 -2.340 1.00 10.00 H new ATOM 0 HD2 ARG A 22 7.634 -7.654 -3.985 1.00 10.00 H new ATOM 0 HD3 ARG A 22 8.464 -6.693 -5.193 1.00 10.00 H new ATOM 0 HE ARG A 22 9.929 -7.208 -2.671 1.00 10.00 H new ATOM 0 HH11 ARG A 22 9.273 -8.418 -5.929 1.00 10.00 H new ATOM 0 HH12 ARG A 22 10.892 -9.097 -6.125 1.00 10.00 H new ATOM 0 HH21 ARG A 22 12.017 -8.021 -2.958 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.437 -8.872 -4.448 1.00 10.00 H new ATOM 263 N SER A 23 5.334 -5.790 -1.188 1.00 10.00 N ATOM 264 CA SER A 23 5.521 -6.533 0.010 1.00 10.00 C ATOM 265 C SER A 23 5.022 -7.919 -0.226 1.00 10.00 C ATOM 266 O SER A 23 4.277 -8.151 -1.150 1.00 10.00 O ATOM 267 CB SER A 23 4.807 -5.916 1.208 1.00 10.00 C ATOM 268 OG SER A 23 5.264 -4.619 1.479 1.00 10.00 O ATOM 0 H SER A 23 4.549 -6.102 -1.759 1.00 10.00 H new ATOM 0 HA SER A 23 6.583 -6.531 0.255 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.734 -5.890 1.017 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.960 -6.545 2.085 1.00 10.00 H new ATOM 0 HG SER A 23 4.711 -4.218 2.182 1.00 10.00 H new ATOM 274 N LEU A 24 5.442 -8.825 0.554 1.00 10.00 N ATOM 275 CA LEU A 24 4.939 -10.177 0.429 1.00 10.00 C ATOM 276 C LEU A 24 4.131 -10.516 1.642 1.00 10.00 C ATOM 277 O LEU A 24 4.552 -11.326 2.410 1.00 10.00 O ATOM 278 CB LEU A 24 6.077 -11.209 0.191 1.00 10.00 C ATOM 279 CG LEU A 24 6.774 -11.236 -1.196 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.786 -11.549 -2.298 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.523 -9.944 -1.496 1.00 10.00 C ATOM 0 H LEU A 24 6.131 -8.684 1.293 1.00 10.00 H new ATOM 0 HA LEU A 24 4.300 -10.228 -0.452 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.845 -11.035 0.945 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.668 -12.202 0.376 1.00 10.00 H new ATOM 0 HG LEU A 24 7.514 -12.035 -1.157 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.303 -11.561 -3.258 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.335 -12.525 -2.116 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.007 -10.787 -2.315 1.00 10.00 H new ATOM 0 HD21 LEU A 24 7.992 -10.015 -2.477 1.00 10.00 H new ATOM 0 HD22 LEU A 24 6.824 -9.108 -1.488 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.290 -9.783 -0.738 1.00 10.00 H new ATOM 293 N ALA A 25 2.941 -9.867 1.763 1.00 10.00 N ATOM 294 CA ALA A 25 2.035 -9.881 2.959 1.00 10.00 C ATOM 295 C ALA A 25 2.216 -11.096 3.837 1.00 10.00 C ATOM 296 O ALA A 25 2.119 -12.226 3.345 1.00 10.00 O ATOM 297 CB ALA A 25 0.598 -9.797 2.507 1.00 10.00 C ATOM 0 H ALA A 25 2.567 -9.296 1.005 1.00 10.00 H new ATOM 0 HA ALA A 25 2.303 -9.014 3.563 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.058 -9.807 3.377 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.446 -8.873 1.949 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.367 -10.650 1.868 1.00 10.00 H new ATOM 303 N ALA A 26 2.483 -10.868 5.137 1.00 10.00 N ATOM 304 CA ALA A 26 2.796 -11.931 6.023 1.00 10.00 C ATOM 305 C ALA A 26 1.712 -13.002 6.053 1.00 10.00 C ATOM 306 O ALA A 26 0.532 -12.708 6.144 1.00 10.00 O ATOM 307 CB ALA A 26 3.088 -11.371 7.390 1.00 10.00 C ATOM 0 H ALA A 26 2.480 -9.944 5.568 1.00 10.00 H new ATOM 0 HA ALA A 26 3.689 -12.437 5.656 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.329 -12.186 8.073 1.00 10.00 H new ATOM 0 HB2 ALA A 26 3.934 -10.686 7.330 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.213 -10.835 7.758 1.00 10.00 H new ATOM 313 N PRO A 27 2.105 -14.259 5.919 1.00 10.00 N ATOM 314 CA PRO A 27 1.187 -15.430 5.958 1.00 10.00 C ATOM 315 C PRO A 27 0.472 -15.609 7.296 1.00 10.00 C ATOM 316 O PRO A 27 -0.385 -16.491 7.464 1.00 10.00 O ATOM 317 CB PRO A 27 2.138 -16.593 5.724 1.00 10.00 C ATOM 318 CG PRO A 27 3.450 -16.044 6.164 1.00 10.00 C ATOM 319 CD PRO A 27 3.482 -14.690 5.630 1.00 10.00 C ATOM 0 HA PRO A 27 0.380 -15.331 5.232 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.853 -17.471 6.304 1.00 10.00 H new ATOM 0 HB3 PRO A 27 2.157 -16.895 4.677 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.534 -16.043 7.251 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.278 -16.641 5.780 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.225 -14.066 6.126 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.708 -14.669 4.564 1.00 10.00 H new ATOM 327 N ASP A 28 0.804 -14.778 8.217 1.00 10.00 N ATOM 328 CA ASP A 28 0.238 -14.833 9.553 1.00 10.00 C ATOM 329 C ASP A 28 -0.673 -13.643 9.775 1.00 10.00 C ATOM 330 O ASP A 28 -1.031 -13.305 10.910 1.00 10.00 O ATOM 331 CB ASP A 28 1.337 -14.914 10.635 1.00 10.00 C ATOM 332 CG ASP A 28 2.227 -13.690 10.721 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.016 -13.456 9.798 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.191 -12.978 11.742 1.00 10.00 O ATOM 0 H ASP A 28 1.481 -14.027 8.082 1.00 10.00 H new ATOM 0 HA ASP A 28 -0.353 -15.745 9.639 1.00 10.00 H new ATOM 0 HB2 ASP A 28 0.864 -15.072 11.604 1.00 10.00 H new ATOM 0 HB3 ASP A 28 1.959 -15.787 10.438 1.00 10.00 H new ATOM 339 N LEU A 29 -1.092 -13.050 8.676 1.00 10.00 N ATOM 340 CA LEU A 29 -1.941 -11.892 8.711 1.00 10.00 C ATOM 341 C LEU A 29 -3.363 -12.156 9.046 1.00 10.00 C ATOM 342 O LEU A 29 -3.972 -13.177 8.675 1.00 10.00 O ATOM 343 CB LEU A 29 -1.858 -11.059 7.455 1.00 10.00 C ATOM 344 CG LEU A 29 -0.601 -10.261 7.293 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.627 -9.515 5.989 1.00 10.00 C ATOM 346 CD2 LEU A 29 -0.434 -9.313 8.454 1.00 10.00 C ATOM 0 H LEU A 29 -0.850 -13.363 7.736 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.529 -11.322 9.544 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.962 -11.720 6.594 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.707 -10.375 7.436 1.00 10.00 H new ATOM 0 HG LEU A 29 0.253 -10.939 7.281 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.292 -8.938 5.881 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.708 -10.224 5.166 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.483 -8.840 5.973 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.483 -8.738 8.325 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -1.285 -8.634 8.494 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.379 -9.881 9.383 1.00 10.00 H new ATOM 358 N THR A 30 -3.858 -11.233 9.767 1.00 10.00 N ATOM 359 CA THR A 30 -5.173 -11.155 10.195 1.00 10.00 C ATOM 360 C THR A 30 -5.946 -10.151 9.382 1.00 10.00 C ATOM 361 O THR A 30 -5.412 -9.129 8.997 1.00 10.00 O ATOM 362 CB THR A 30 -5.132 -10.706 11.605 1.00 10.00 C ATOM 363 OG1 THR A 30 -3.789 -10.263 11.930 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.532 -11.807 12.501 1.00 10.00 C ATOM 0 H THR A 30 -3.295 -10.449 10.096 1.00 10.00 H new ATOM 0 HA THR A 30 -5.664 -12.122 10.086 1.00 10.00 H new ATOM 0 HB THR A 30 -5.829 -9.878 11.739 1.00 10.00 H new ATOM 0 HG1 THR A 30 -3.835 -9.428 12.440 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.498 -11.465 13.535 1.00 10.00 H new ATOM 0 HG22 THR A 30 -6.546 -12.125 12.257 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.848 -12.646 12.374 1.00 10.00 H new ATOM 372 N LEU A 31 -7.189 -10.456 9.117 1.00 10.00 N ATOM 373 CA LEU A 31 -8.107 -9.575 8.391 1.00 10.00 C ATOM 374 C LEU A 31 -8.205 -8.247 9.060 1.00 10.00 C ATOM 375 O LEU A 31 -8.174 -7.231 8.388 1.00 10.00 O ATOM 376 CB LEU A 31 -9.451 -10.204 8.386 1.00 10.00 C ATOM 377 CG LEU A 31 -10.594 -9.468 7.683 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.324 -9.284 6.205 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.896 -10.209 7.896 1.00 10.00 C ATOM 0 H LEU A 31 -7.614 -11.339 9.400 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.735 -9.430 7.377 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -9.356 -11.187 7.926 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.747 -10.364 9.423 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.670 -8.474 8.124 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -11.160 -8.757 5.745 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.412 -8.703 6.071 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -10.205 -10.259 5.733 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.704 -9.678 7.392 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.813 -11.216 7.487 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -12.111 -10.268 8.963 1.00 10.00 H new ATOM 391 N ARG A 32 -8.281 -8.241 10.389 1.00 10.00 N ATOM 392 CA ARG A 32 -8.369 -6.985 11.107 1.00 10.00 C ATOM 393 C ARG A 32 -7.178 -6.096 10.773 1.00 10.00 C ATOM 394 O ARG A 32 -7.310 -4.897 10.680 1.00 10.00 O ATOM 395 CB ARG A 32 -8.501 -7.176 12.622 1.00 10.00 C ATOM 396 CG ARG A 32 -8.444 -5.861 13.384 1.00 10.00 C ATOM 397 CD ARG A 32 -9.614 -4.934 13.049 1.00 10.00 C ATOM 398 NE ARG A 32 -9.283 -3.553 13.423 1.00 10.00 N ATOM 399 CZ ARG A 32 -10.070 -2.679 14.060 1.00 10.00 C ATOM 400 NH1 ARG A 32 -11.267 -3.040 14.510 1.00 10.00 N ATOM 401 NH2 ARG A 32 -9.626 -1.445 14.251 1.00 10.00 N ATOM 0 H ARG A 32 -8.283 -9.076 10.975 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.283 -6.492 10.776 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.444 -7.678 12.841 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -7.703 -7.830 12.973 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -8.443 -6.066 14.455 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -7.507 -5.354 13.156 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -9.838 -4.987 11.984 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -10.509 -5.259 13.579 1.00 10.00 H new ATOM 0 HE ARG A 32 -8.351 -3.224 13.169 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -11.597 -3.995 14.372 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -11.856 -2.362 14.994 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -8.701 -1.178 13.915 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -10.210 -0.762 14.734 1.00 10.00 H new ATOM 415 N ASP A 33 -6.047 -6.717 10.517 1.00 10.00 N ATOM 416 CA ASP A 33 -4.850 -6.008 10.118 1.00 10.00 C ATOM 417 C ASP A 33 -5.050 -5.310 8.806 1.00 10.00 C ATOM 418 O ASP A 33 -4.637 -4.182 8.661 1.00 10.00 O ATOM 419 CB ASP A 33 -3.632 -6.927 10.063 1.00 10.00 C ATOM 420 CG ASP A 33 -3.069 -7.234 11.415 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.802 -7.717 12.291 1.00 10.00 O ATOM 422 OD2 ASP A 33 -1.888 -7.010 11.634 1.00 10.00 O ATOM 0 H ASP A 33 -5.931 -7.728 10.580 1.00 10.00 H new ATOM 0 HA ASP A 33 -4.654 -5.255 10.882 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.909 -7.859 9.571 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.860 -6.461 9.451 1.00 10.00 H new ATOM 427 N LEU A 34 -5.764 -5.935 7.862 1.00 10.00 N ATOM 428 CA LEU A 34 -5.977 -5.262 6.557 1.00 10.00 C ATOM 429 C LEU A 34 -6.971 -4.164 6.743 1.00 10.00 C ATOM 430 O LEU A 34 -6.860 -3.090 6.166 1.00 10.00 O ATOM 431 CB LEU A 34 -6.469 -6.208 5.431 1.00 10.00 C ATOM 432 CG LEU A 34 -5.507 -7.298 4.940 1.00 10.00 C ATOM 433 CD1 LEU A 34 -4.193 -6.705 4.477 1.00 10.00 C ATOM 434 CD2 LEU A 34 -5.278 -8.312 6.009 1.00 10.00 C ATOM 0 H LEU A 34 -6.188 -6.858 7.958 1.00 10.00 H new ATOM 0 HA LEU A 34 -5.007 -4.883 6.236 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -7.379 -6.697 5.778 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.744 -5.593 4.574 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.968 -7.792 4.085 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -3.534 -7.503 4.135 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -4.376 -6.010 3.658 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.722 -6.174 5.304 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.593 -9.078 5.644 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.846 -7.827 6.884 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -6.227 -8.774 6.282 1.00 10.00 H new ATOM 446 N LEU A 35 -7.912 -4.448 7.593 1.00 10.00 N ATOM 447 CA LEU A 35 -8.997 -3.527 7.929 1.00 10.00 C ATOM 448 C LEU A 35 -8.483 -2.336 8.734 1.00 10.00 C ATOM 449 O LEU A 35 -9.112 -1.284 8.795 1.00 10.00 O ATOM 450 CB LEU A 35 -10.129 -4.284 8.648 1.00 10.00 C ATOM 451 CG LEU A 35 -11.065 -5.156 7.762 1.00 10.00 C ATOM 452 CD1 LEU A 35 -12.078 -4.278 7.057 1.00 10.00 C ATOM 453 CD2 LEU A 35 -10.272 -5.907 6.701 1.00 10.00 C ATOM 0 H LEU A 35 -7.963 -5.337 8.090 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.411 -3.116 7.008 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.680 -4.928 9.404 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.744 -3.555 9.175 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.565 -5.870 8.416 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.729 -4.897 6.439 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.677 -3.748 7.797 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.558 -3.557 6.427 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.951 -6.508 6.097 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.753 -5.193 6.062 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.544 -6.558 7.184 1.00 10.00 H new ATOM 465 N ASP A 36 -7.371 -2.523 9.375 1.00 10.00 N ATOM 466 CA ASP A 36 -6.668 -1.404 10.017 1.00 10.00 C ATOM 467 C ASP A 36 -5.887 -0.646 8.986 1.00 10.00 C ATOM 468 O ASP A 36 -6.052 0.564 8.856 1.00 10.00 O ATOM 469 CB ASP A 36 -5.749 -1.829 11.177 1.00 10.00 C ATOM 470 CG ASP A 36 -6.497 -2.210 12.428 1.00 10.00 C ATOM 471 OD1 ASP A 36 -7.326 -1.404 12.918 1.00 10.00 O ATOM 472 OD2 ASP A 36 -6.245 -3.301 12.999 1.00 10.00 O ATOM 0 H ASP A 36 -6.914 -3.429 9.480 1.00 10.00 H new ATOM 0 HA ASP A 36 -7.433 -0.767 10.461 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -5.139 -2.674 10.856 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.065 -1.012 11.407 1.00 10.00 H new ATOM 477 N ILE A 37 -5.082 -1.386 8.212 1.00 10.00 N ATOM 478 CA ILE A 37 -4.251 -0.841 7.127 1.00 10.00 C ATOM 479 C ILE A 37 -5.041 0.133 6.245 1.00 10.00 C ATOM 480 O ILE A 37 -4.630 1.288 6.070 1.00 10.00 O ATOM 481 CB ILE A 37 -3.663 -2.002 6.255 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.519 -2.715 6.990 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.195 -1.509 4.889 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.194 -4.080 6.416 1.00 10.00 C ATOM 0 H ILE A 37 -4.987 -2.396 8.323 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.432 -0.287 7.586 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.469 -2.717 6.088 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.627 -2.090 6.951 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -2.785 -2.825 8.041 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.795 -2.346 4.318 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -4.037 -1.073 4.352 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.419 -0.755 5.021 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.377 -4.528 6.982 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.074 -4.720 6.480 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.897 -3.975 5.373 1.00 10.00 H new ATOM 496 N VAL A 38 -6.176 -0.329 5.724 1.00 10.00 N ATOM 497 CA VAL A 38 -7.036 0.489 4.863 1.00 10.00 C ATOM 498 C VAL A 38 -7.411 1.835 5.537 1.00 10.00 C ATOM 499 O VAL A 38 -7.235 2.915 4.949 1.00 10.00 O ATOM 500 CB VAL A 38 -8.320 -0.310 4.387 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.131 -0.848 5.533 1.00 10.00 C ATOM 502 CG2 VAL A 38 -9.202 0.508 3.448 1.00 10.00 C ATOM 0 H VAL A 38 -6.526 -1.274 5.884 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.460 0.730 3.969 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.935 -1.163 3.828 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.997 -1.385 5.146 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.518 -1.527 6.125 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.467 -0.022 6.160 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -10.067 -0.086 3.152 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.539 1.410 3.959 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.631 0.784 2.561 1.00 10.00 H new ATOM 512 N GLU A 39 -7.810 1.768 6.791 1.00 10.00 N ATOM 513 CA GLU A 39 -8.245 2.927 7.532 1.00 10.00 C ATOM 514 C GLU A 39 -7.084 3.864 7.865 1.00 10.00 C ATOM 515 O GLU A 39 -7.197 5.096 7.679 1.00 10.00 O ATOM 516 CB GLU A 39 -9.010 2.495 8.782 1.00 10.00 C ATOM 517 CG GLU A 39 -10.317 1.770 8.467 1.00 10.00 C ATOM 518 CD GLU A 39 -11.274 2.608 7.642 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.146 2.654 6.407 1.00 10.00 O ATOM 520 OE2 GLU A 39 -12.188 3.233 8.217 1.00 10.00 O ATOM 0 H GLU A 39 -7.840 0.900 7.325 1.00 10.00 H new ATOM 0 HA GLU A 39 -8.923 3.500 6.900 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.375 1.842 9.381 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -9.227 3.374 9.389 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.095 0.848 7.930 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.803 1.486 9.400 1.00 10.00 H new ATOM 527 N THR A 40 -5.978 3.296 8.321 1.00 10.00 N ATOM 528 CA THR A 40 -4.781 4.052 8.658 1.00 10.00 C ATOM 529 C THR A 40 -4.242 4.807 7.419 1.00 10.00 C ATOM 530 O THR A 40 -3.808 5.973 7.511 1.00 10.00 O ATOM 531 CB THR A 40 -3.688 3.093 9.217 1.00 10.00 C ATOM 532 OG1 THR A 40 -4.229 2.349 10.320 1.00 10.00 O ATOM 533 CG2 THR A 40 -2.465 3.872 9.692 1.00 10.00 C ATOM 0 H THR A 40 -5.885 2.291 8.469 1.00 10.00 H new ATOM 0 HA THR A 40 -5.039 4.786 9.421 1.00 10.00 H new ATOM 0 HB THR A 40 -3.381 2.418 8.418 1.00 10.00 H new ATOM 0 HG1 THR A 40 -4.802 1.630 9.980 1.00 10.00 H new ATOM 0 HG21 THR A 40 -1.718 3.178 10.077 1.00 10.00 H new ATOM 0 HG22 THR A 40 -2.043 4.432 8.857 1.00 10.00 H new ATOM 0 HG23 THR A 40 -2.758 4.564 10.482 1.00 10.00 H new ATOM 541 N SER A 41 -4.310 4.155 6.269 1.00 10.00 N ATOM 542 CA SER A 41 -3.824 4.722 5.032 1.00 10.00 C ATOM 543 C SER A 41 -4.587 5.976 4.641 1.00 10.00 C ATOM 544 O SER A 41 -3.982 7.025 4.466 1.00 10.00 O ATOM 545 CB SER A 41 -3.873 3.691 3.936 1.00 10.00 C ATOM 546 OG SER A 41 -3.123 2.573 4.318 1.00 10.00 O ATOM 0 H SER A 41 -4.704 3.219 6.172 1.00 10.00 H new ATOM 0 HA SER A 41 -2.787 5.022 5.186 1.00 10.00 H new ATOM 0 HB2 SER A 41 -4.905 3.401 3.740 1.00 10.00 H new ATOM 0 HB3 SER A 41 -3.478 4.109 3.010 1.00 10.00 H new ATOM 0 HG SER A 41 -3.710 1.917 4.749 1.00 10.00 H new ATOM 552 N GLN A 42 -5.915 5.872 4.552 1.00 10.00 N ATOM 553 CA GLN A 42 -6.768 7.018 4.171 1.00 10.00 C ATOM 554 C GLN A 42 -6.509 8.190 5.053 1.00 10.00 C ATOM 555 O GLN A 42 -6.242 9.262 4.578 1.00 10.00 O ATOM 556 CB GLN A 42 -8.220 6.662 4.299 1.00 10.00 C ATOM 557 CG GLN A 42 -8.656 5.623 3.329 1.00 10.00 C ATOM 558 CD GLN A 42 -9.754 4.747 3.851 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.600 4.254 3.094 1.00 10.00 O ATOM 560 NE2 GLN A 42 -9.758 4.527 5.132 1.00 10.00 N ATOM 0 H GLN A 42 -6.429 5.011 4.737 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.528 7.267 3.137 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.413 6.308 5.312 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.822 7.560 4.155 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.993 6.109 2.414 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.800 5.002 3.064 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.044 4.951 5.724 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.475 3.930 5.545 1.00 10.00 H new ATOM 569 N ALA A 43 -6.528 7.945 6.331 1.00 10.00 N ATOM 570 CA ALA A 43 -6.393 8.982 7.316 1.00 10.00 C ATOM 571 C ALA A 43 -5.092 9.784 7.168 1.00 10.00 C ATOM 572 O ALA A 43 -5.103 11.002 7.278 1.00 10.00 O ATOM 573 CB ALA A 43 -6.571 8.395 8.697 1.00 10.00 C ATOM 0 H ALA A 43 -6.639 7.010 6.724 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.184 9.714 7.152 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -6.468 9.183 9.443 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -7.561 7.946 8.777 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -5.812 7.632 8.868 1.00 10.00 H new ATOM 579 N HIS A 44 -3.985 9.130 6.893 1.00 10.00 N ATOM 580 CA HIS A 44 -2.748 9.883 6.693 1.00 10.00 C ATOM 581 C HIS A 44 -2.662 10.393 5.291 1.00 10.00 C ATOM 582 O HIS A 44 -2.279 11.519 5.084 1.00 10.00 O ATOM 583 CB HIS A 44 -1.490 9.066 6.986 1.00 10.00 C ATOM 584 CG HIS A 44 -0.183 9.816 6.706 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.604 9.567 5.589 1.00 10.00 N ATOM 586 CD2 HIS A 44 0.454 10.802 7.391 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.658 10.365 5.612 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.587 11.116 6.688 1.00 10.00 N ATOM 0 H HIS A 44 -3.905 8.117 6.803 1.00 10.00 H new ATOM 0 HA HIS A 44 -2.788 10.709 7.404 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -1.504 8.758 8.032 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -1.511 8.156 6.386 1.00 10.00 H new ATOM 0 HD2 HIS A 44 0.128 11.253 8.316 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.444 10.395 4.872 1.00 10.00 H new ATOM 0 HE2 HIS A 44 2.270 11.824 6.958 1.00 10.00 H new ATOM 597 N ASN A 45 -2.997 9.573 4.346 1.00 10.00 N ATOM 598 CA ASN A 45 -2.789 9.921 2.963 1.00 10.00 C ATOM 599 C ASN A 45 -3.717 11.011 2.505 1.00 10.00 C ATOM 600 O ASN A 45 -3.297 11.918 1.829 1.00 10.00 O ATOM 601 CB ASN A 45 -2.788 8.695 2.037 1.00 10.00 C ATOM 602 CG ASN A 45 -1.675 7.707 2.407 1.00 10.00 C ATOM 603 OD1 ASN A 45 -0.641 8.091 2.999 1.00 10.00 O ATOM 604 ND2 ASN A 45 -1.850 6.450 2.053 1.00 10.00 N ATOM 0 H ASN A 45 -3.416 8.656 4.499 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.784 10.336 2.894 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -3.754 8.194 2.096 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -2.659 9.019 1.004 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.131 5.757 2.260 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.705 6.170 1.572 1.00 10.00 H new ATOM 611 N ALA A 46 -4.949 10.983 2.960 1.00 10.00 N ATOM 612 CA ALA A 46 -5.903 12.036 2.626 1.00 10.00 C ATOM 613 C ALA A 46 -5.464 13.333 3.277 1.00 10.00 C ATOM 614 O ALA A 46 -5.615 14.417 2.708 1.00 10.00 O ATOM 615 CB ALA A 46 -7.299 11.677 3.109 1.00 10.00 C ATOM 0 H ALA A 46 -5.321 10.248 3.561 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.931 12.149 1.542 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.991 12.477 2.848 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.621 10.750 2.635 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.287 11.546 4.191 1.00 10.00 H new ATOM 621 N ARG A 47 -4.882 13.206 4.458 1.00 10.00 N ATOM 622 CA ARG A 47 -4.435 14.348 5.212 1.00 10.00 C ATOM 623 C ARG A 47 -3.169 14.910 4.585 1.00 10.00 C ATOM 624 O ARG A 47 -3.078 16.102 4.322 1.00 10.00 O ATOM 625 CB ARG A 47 -4.169 13.918 6.657 1.00 10.00 C ATOM 626 CG ARG A 47 -4.199 15.008 7.752 1.00 10.00 C ATOM 627 CD ARG A 47 -3.095 16.047 7.622 1.00 10.00 C ATOM 628 NE ARG A 47 -3.070 16.945 8.777 1.00 10.00 N ATOM 629 CZ ARG A 47 -2.861 18.265 8.739 1.00 10.00 C ATOM 630 NH1 ARG A 47 -2.744 18.908 7.574 1.00 10.00 N ATOM 631 NH2 ARG A 47 -2.795 18.950 9.879 1.00 10.00 N ATOM 0 H ARG A 47 -4.710 12.309 4.913 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.201 15.123 5.203 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -4.905 13.158 6.921 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.191 13.439 6.689 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -5.164 15.513 7.721 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -4.121 14.530 8.728 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.131 15.547 7.527 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -3.244 16.627 6.711 1.00 10.00 H new ATOM 0 HE ARG A 47 -3.226 16.526 9.694 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.814 18.392 6.697 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -2.585 19.915 7.561 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -2.904 18.467 10.771 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -2.636 19.957 9.860 1.00 10.00 H new ATOM 645 N ALA A 48 -2.204 14.051 4.332 1.00 10.00 N ATOM 646 CA ALA A 48 -0.931 14.487 3.810 1.00 10.00 C ATOM 647 C ALA A 48 -0.968 14.733 2.295 1.00 10.00 C ATOM 648 O ALA A 48 0.031 15.147 1.713 1.00 10.00 O ATOM 649 CB ALA A 48 0.175 13.528 4.199 1.00 10.00 C ATOM 0 H ALA A 48 -2.280 13.045 4.481 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.712 15.451 4.268 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.123 13.881 3.792 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.244 13.474 5.285 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.045 12.538 3.800 1.00 10.00 H new ATOM 655 N GLN A 49 -2.143 14.483 1.676 1.00 10.00 N ATOM 656 CA GLN A 49 -2.414 14.745 0.237 1.00 10.00 C ATOM 657 C GLN A 49 -1.688 13.761 -0.656 1.00 10.00 C ATOM 658 O GLN A 49 -1.143 14.109 -1.711 1.00 10.00 O ATOM 659 CB GLN A 49 -2.099 16.187 -0.120 1.00 10.00 C ATOM 660 CG GLN A 49 -2.903 17.145 0.661 1.00 10.00 C ATOM 661 CD GLN A 49 -2.039 18.134 1.410 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.669 19.185 0.887 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.754 17.836 2.647 1.00 10.00 N ATOM 0 H GLN A 49 -2.945 14.087 2.166 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.479 14.594 0.062 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.040 16.379 0.053 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.282 16.344 -1.183 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.574 17.684 -0.008 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.528 16.601 1.369 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.078 16.955 3.047 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -1.207 18.484 3.215 1.00 10.00 H new ATOM 672 N LEU A 50 -1.699 12.558 -0.204 1.00 10.00 N ATOM 673 CA LEU A 50 -1.148 11.408 -0.876 1.00 10.00 C ATOM 674 C LEU A 50 -2.238 10.612 -1.572 1.00 10.00 C ATOM 675 O LEU A 50 -3.235 10.224 -0.955 1.00 10.00 O ATOM 676 CB LEU A 50 -0.401 10.523 0.119 1.00 10.00 C ATOM 677 CG LEU A 50 1.040 10.910 0.420 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.169 12.329 0.890 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.672 9.975 1.415 1.00 10.00 C ATOM 0 H LEU A 50 -2.115 12.323 0.697 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.447 11.759 -1.633 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.957 10.519 1.057 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.408 9.501 -0.260 1.00 10.00 H new ATOM 0 HG LEU A 50 1.576 10.825 -0.525 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.217 12.552 1.090 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.795 13.003 0.119 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.588 12.464 1.803 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.700 10.285 1.603 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.108 10.001 2.348 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.666 8.961 1.016 1.00 10.00 H new ATOM 691 N THR A 51 -2.061 10.394 -2.842 1.00 10.00 N ATOM 692 CA THR A 51 -3.003 9.679 -3.643 1.00 10.00 C ATOM 693 C THR A 51 -2.416 8.316 -4.020 1.00 10.00 C ATOM 694 O THR A 51 -1.212 8.177 -4.108 1.00 10.00 O ATOM 695 CB THR A 51 -3.413 10.563 -4.828 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.276 10.927 -5.598 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.978 11.836 -4.250 1.00 10.00 C ATOM 0 H THR A 51 -1.241 10.715 -3.357 1.00 10.00 H new ATOM 0 HA THR A 51 -3.922 9.458 -3.100 1.00 10.00 H new ATOM 0 HB THR A 51 -4.123 10.026 -5.457 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.419 10.672 -6.533 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.284 12.499 -5.059 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.841 11.601 -3.627 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.218 12.330 -3.645 1.00 10.00 H new ATOM 705 N GLY A 52 -3.239 7.307 -4.186 1.00 10.00 N ATOM 706 CA GLY A 52 -2.692 5.974 -4.212 1.00 10.00 C ATOM 707 C GLY A 52 -3.610 4.908 -4.697 1.00 10.00 C ATOM 708 O GLY A 52 -4.734 5.154 -5.088 1.00 10.00 O ATOM 0 H GLY A 52 -4.250 7.377 -4.301 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.804 5.978 -4.844 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.365 5.716 -3.205 1.00 10.00 H new ATOM 712 N ALA A 53 -3.082 3.741 -4.735 1.00 10.00 N ATOM 713 CA ALA A 53 -3.820 2.533 -5.018 1.00 10.00 C ATOM 714 C ALA A 53 -3.049 1.355 -4.447 1.00 10.00 C ATOM 715 O ALA A 53 -1.826 1.369 -4.427 1.00 10.00 O ATOM 716 CB ALA A 53 -4.130 2.363 -6.502 1.00 10.00 C ATOM 0 H ALA A 53 -2.089 3.578 -4.566 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.797 2.593 -4.538 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.686 1.438 -6.654 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.728 3.206 -6.848 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.198 2.323 -7.066 1.00 10.00 H new ATOM 722 N LEU A 54 -3.762 0.398 -3.924 1.00 10.00 N ATOM 723 CA LEU A 54 -3.174 -0.764 -3.285 1.00 10.00 C ATOM 724 C LEU A 54 -3.629 -2.003 -4.003 1.00 10.00 C ATOM 725 O LEU A 54 -4.829 -2.261 -4.092 1.00 10.00 O ATOM 726 CB LEU A 54 -3.612 -0.803 -1.782 1.00 10.00 C ATOM 727 CG LEU A 54 -3.151 -1.980 -0.854 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.848 -3.303 -1.138 1.00 10.00 C ATOM 729 CD2 LEU A 54 -1.669 -2.158 -0.923 1.00 10.00 C ATOM 0 H LEU A 54 -4.782 0.395 -3.925 1.00 10.00 H new ATOM 0 HA LEU A 54 -2.086 -0.711 -3.331 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -3.269 0.124 -1.322 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -4.702 -0.785 -1.763 1.00 10.00 H new ATOM 0 HG LEU A 54 -3.444 -1.689 0.155 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -3.474 -4.065 -0.455 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.923 -3.186 -0.998 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.647 -3.607 -2.165 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -1.371 -2.980 -0.272 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -1.377 -2.383 -1.949 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -1.177 -1.241 -0.599 1.00 10.00 H new ATOM 741 N PHE A 55 -2.701 -2.765 -4.482 1.00 10.00 N ATOM 742 CA PHE A 55 -2.991 -4.007 -5.132 1.00 10.00 C ATOM 743 C PHE A 55 -2.476 -5.156 -4.286 1.00 10.00 C ATOM 744 O PHE A 55 -1.285 -5.348 -4.140 1.00 10.00 O ATOM 745 CB PHE A 55 -2.391 -4.060 -6.545 1.00 10.00 C ATOM 746 CG PHE A 55 -3.056 -3.140 -7.542 1.00 10.00 C ATOM 747 CD1 PHE A 55 -2.647 -1.824 -7.688 1.00 10.00 C ATOM 748 CD2 PHE A 55 -4.088 -3.608 -8.341 1.00 10.00 C ATOM 749 CE1 PHE A 55 -3.260 -0.991 -8.609 1.00 10.00 C ATOM 750 CE2 PHE A 55 -4.701 -2.782 -9.264 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.286 -1.473 -9.398 1.00 10.00 C ATOM 0 H PHE A 55 -1.707 -2.542 -4.434 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.072 -4.095 -5.238 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.332 -3.807 -6.486 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.455 -5.083 -6.915 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -1.842 -1.444 -7.077 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -4.417 -4.632 -8.241 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -2.936 0.034 -8.710 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -5.504 -3.161 -9.879 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.763 -0.826 -10.119 1.00 10.00 H new ATOM 761 N TYR A 56 -3.378 -5.862 -3.687 1.00 10.00 N ATOM 762 CA TYR A 56 -3.056 -7.033 -2.913 1.00 10.00 C ATOM 763 C TYR A 56 -3.873 -8.133 -3.519 1.00 10.00 C ATOM 764 O TYR A 56 -5.103 -8.032 -3.551 1.00 10.00 O ATOM 765 CB TYR A 56 -3.458 -6.834 -1.418 1.00 10.00 C ATOM 766 CG TYR A 56 -3.159 -7.998 -0.429 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.090 -9.336 -0.834 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.000 -7.740 0.925 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.874 -10.358 0.061 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.771 -8.771 1.830 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.710 -10.072 1.389 1.00 10.00 C ATOM 772 OH TYR A 56 -2.507 -11.096 2.289 1.00 10.00 O ATOM 0 H TYR A 56 -4.374 -5.645 -3.717 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.988 -7.248 -2.930 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -2.951 -5.942 -1.050 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.528 -6.630 -1.382 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.210 -9.573 -1.881 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.055 -6.722 1.282 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -2.834 -11.381 -0.283 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.641 -8.550 2.879 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.408 -10.724 3.190 1.00 10.00 H new ATOM 782 N SER A 57 -3.226 -9.134 -4.028 1.00 10.00 N ATOM 783 CA SER A 57 -3.935 -10.224 -4.593 1.00 10.00 C ATOM 784 C SER A 57 -3.085 -11.480 -4.486 1.00 10.00 C ATOM 785 O SER A 57 -2.044 -11.590 -5.129 1.00 10.00 O ATOM 786 CB SER A 57 -4.321 -9.916 -6.052 1.00 10.00 C ATOM 787 OG SER A 57 -5.346 -10.785 -6.511 1.00 10.00 O ATOM 0 H SER A 57 -2.210 -9.214 -4.061 1.00 10.00 H new ATOM 0 HA SER A 57 -4.863 -10.388 -4.044 1.00 10.00 H new ATOM 0 HB2 SER A 57 -4.656 -8.882 -6.131 1.00 10.00 H new ATOM 0 HB3 SER A 57 -3.444 -10.016 -6.691 1.00 10.00 H new ATOM 0 HG SER A 57 -5.571 -10.564 -7.439 1.00 10.00 H new ATOM 793 N GLN A 58 -3.510 -12.371 -3.597 1.00 10.00 N ATOM 794 CA GLN A 58 -2.893 -13.670 -3.358 1.00 10.00 C ATOM 795 C GLN A 58 -1.447 -13.533 -2.846 1.00 10.00 C ATOM 796 O GLN A 58 -0.475 -13.663 -3.613 1.00 10.00 O ATOM 797 CB GLN A 58 -2.973 -14.579 -4.609 1.00 10.00 C ATOM 798 CG GLN A 58 -2.493 -16.007 -4.392 1.00 10.00 C ATOM 799 CD GLN A 58 -3.383 -16.771 -3.441 1.00 10.00 C ATOM 800 OE1 GLN A 58 -3.182 -16.763 -2.226 1.00 10.00 O ATOM 801 NE2 GLN A 58 -4.367 -17.437 -3.982 1.00 10.00 N ATOM 0 H GLN A 58 -4.322 -12.203 -3.003 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.466 -14.155 -2.568 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -4.006 -14.607 -4.955 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -2.381 -14.129 -5.406 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -2.458 -16.526 -5.350 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -1.476 -15.991 -4.001 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -4.500 -17.418 -4.993 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -5.002 -17.976 -3.394 1.00 10.00 H new ATOM 810 N GLY A 59 -1.320 -13.178 -1.575 1.00 10.00 N ATOM 811 CA GLY A 59 -0.018 -13.091 -0.916 1.00 10.00 C ATOM 812 C GLY A 59 0.792 -11.833 -1.242 1.00 10.00 C ATOM 813 O GLY A 59 1.375 -11.214 -0.356 1.00 10.00 O ATOM 0 H GLY A 59 -2.109 -12.943 -0.972 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -0.170 -13.137 0.162 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.571 -13.965 -1.193 1.00 10.00 H new ATOM 817 N VAL A 60 0.834 -11.448 -2.491 1.00 10.00 N ATOM 818 CA VAL A 60 1.663 -10.335 -2.884 1.00 10.00 C ATOM 819 C VAL A 60 0.994 -8.978 -2.636 1.00 10.00 C ATOM 820 O VAL A 60 -0.180 -8.751 -2.992 1.00 10.00 O ATOM 821 CB VAL A 60 2.189 -10.443 -4.358 1.00 10.00 C ATOM 822 CG1 VAL A 60 2.952 -11.743 -4.564 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.066 -10.317 -5.386 1.00 10.00 C ATOM 0 H VAL A 60 0.309 -11.884 -3.249 1.00 10.00 H new ATOM 0 HA VAL A 60 2.535 -10.393 -2.232 1.00 10.00 H new ATOM 0 HB VAL A 60 2.867 -9.604 -4.515 1.00 10.00 H new ATOM 0 HG11 VAL A 60 3.308 -11.797 -5.593 1.00 10.00 H new ATOM 0 HG12 VAL A 60 3.803 -11.777 -3.884 1.00 10.00 H new ATOM 0 HG13 VAL A 60 2.293 -12.588 -4.363 1.00 10.00 H new ATOM 0 HG21 VAL A 60 1.481 -10.398 -6.390 1.00 10.00 H new ATOM 0 HG22 VAL A 60 0.338 -11.113 -5.229 1.00 10.00 H new ATOM 0 HG23 VAL A 60 0.576 -9.350 -5.273 1.00 10.00 H new ATOM 833 N PHE A 61 1.718 -8.122 -1.945 1.00 10.00 N ATOM 834 CA PHE A 61 1.318 -6.740 -1.735 1.00 10.00 C ATOM 835 C PHE A 61 1.990 -5.822 -2.772 1.00 10.00 C ATOM 836 O PHE A 61 3.177 -6.002 -3.087 1.00 10.00 O ATOM 837 CB PHE A 61 1.848 -6.283 -0.405 1.00 10.00 C ATOM 838 CG PHE A 61 0.886 -5.984 0.672 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.192 -5.149 0.466 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.107 -6.499 1.920 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.040 -4.843 1.511 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.290 -6.194 2.966 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.786 -5.364 2.763 1.00 10.00 C ATOM 0 H PHE A 61 2.608 -8.364 -1.509 1.00 10.00 H new ATOM 0 HA PHE A 61 0.231 -6.689 -1.803 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.528 -7.051 -0.038 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.443 -5.386 -0.576 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.373 -4.734 -0.514 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.946 -7.160 2.079 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.894 -4.202 1.350 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.486 -6.601 3.947 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.437 -5.118 3.589 1.00 10.00 H new ATOM 853 N PHE A 62 1.259 -4.872 -3.283 1.00 10.00 N ATOM 854 CA PHE A 62 1.808 -3.800 -4.093 1.00 10.00 C ATOM 855 C PHE A 62 1.124 -2.498 -3.698 1.00 10.00 C ATOM 856 O PHE A 62 -0.095 -2.376 -3.807 1.00 10.00 O ATOM 857 CB PHE A 62 1.643 -4.053 -5.603 1.00 10.00 C ATOM 858 CG PHE A 62 2.202 -2.936 -6.460 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.562 -2.852 -6.706 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.365 -1.967 -7.003 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.080 -1.824 -7.475 1.00 10.00 C ATOM 862 CE2 PHE A 62 1.878 -0.940 -7.773 1.00 10.00 C ATOM 863 CZ PHE A 62 3.237 -0.866 -8.009 1.00 10.00 C ATOM 0 H PHE A 62 0.249 -4.812 -3.152 1.00 10.00 H new ATOM 0 HA PHE A 62 2.880 -3.745 -3.906 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.141 -4.987 -5.865 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.585 -4.181 -5.830 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.226 -3.597 -6.293 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.302 -2.018 -6.821 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.143 -1.770 -7.658 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.216 -0.195 -8.190 1.00 10.00 H new ATOM 0 HZ PHE A 62 3.640 -0.063 -8.608 1.00 10.00 H new ATOM 873 N GLN A 63 1.885 -1.553 -3.229 1.00 10.00 N ATOM 874 CA GLN A 63 1.344 -0.285 -2.782 1.00 10.00 C ATOM 875 C GLN A 63 2.236 0.823 -3.233 1.00 10.00 C ATOM 876 O GLN A 63 3.447 0.755 -3.042 1.00 10.00 O ATOM 877 CB GLN A 63 1.255 -0.269 -1.255 1.00 10.00 C ATOM 878 CG GLN A 63 0.783 1.054 -0.598 1.00 10.00 C ATOM 879 CD GLN A 63 -0.612 1.488 -0.986 1.00 10.00 C ATOM 880 OE1 GLN A 63 -1.579 1.108 -0.370 1.00 10.00 O ATOM 881 NE2 GLN A 63 -0.722 2.344 -1.948 1.00 10.00 N ATOM 0 H GLN A 63 2.898 -1.631 -3.142 1.00 10.00 H new ATOM 0 HA GLN A 63 0.348 -0.152 -3.205 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.576 -1.064 -0.946 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.238 -0.516 -0.854 1.00 10.00 H new ATOM 0 HG2 GLN A 63 0.826 0.942 0.485 1.00 10.00 H new ATOM 0 HG3 GLN A 63 1.483 1.846 -0.864 1.00 10.00 H new ATOM 0 HE21 GLN A 63 0.108 2.651 -2.455 1.00 10.00 H new ATOM 0 HE22 GLN A 63 -1.639 2.713 -2.200 1.00 10.00 H new ATOM 890 N TRP A 64 1.680 1.821 -3.837 1.00 10.00 N ATOM 891 CA TRP A 64 2.453 2.967 -4.144 1.00 10.00 C ATOM 892 C TRP A 64 1.604 4.191 -3.887 1.00 10.00 C ATOM 893 O TRP A 64 0.368 4.082 -3.837 1.00 10.00 O ATOM 894 CB TRP A 64 2.996 2.919 -5.576 1.00 10.00 C ATOM 895 CG TRP A 64 2.191 3.525 -6.652 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.528 4.639 -7.350 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.951 3.079 -7.167 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.588 4.910 -8.277 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.593 3.966 -8.191 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.109 2.019 -6.864 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.571 3.819 -8.916 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.047 1.880 -7.580 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.378 2.773 -8.594 1.00 10.00 C ATOM 0 H TRP A 64 0.702 1.862 -4.123 1.00 10.00 H new ATOM 0 HA TRP A 64 3.334 3.003 -3.503 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.972 3.405 -5.577 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.161 1.873 -5.834 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.421 5.224 -7.186 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.611 5.689 -8.935 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.361 1.320 -6.080 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.831 4.507 -9.707 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.715 1.062 -7.354 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.299 2.632 -9.139 1.00 10.00 H new ATOM 914 N LEU A 65 2.219 5.314 -3.701 1.00 10.00 N ATOM 915 CA LEU A 65 1.490 6.517 -3.380 1.00 10.00 C ATOM 916 C LEU A 65 2.171 7.740 -3.933 1.00 10.00 C ATOM 917 O LEU A 65 3.398 7.815 -3.945 1.00 10.00 O ATOM 918 CB LEU A 65 1.260 6.604 -1.854 1.00 10.00 C ATOM 919 CG LEU A 65 2.474 6.334 -0.961 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.297 7.579 -0.724 1.00 10.00 C ATOM 921 CD2 LEU A 65 2.076 5.647 0.335 1.00 10.00 C ATOM 0 H LEU A 65 3.230 5.432 -3.764 1.00 10.00 H new ATOM 0 HA LEU A 65 0.512 6.475 -3.860 1.00 10.00 H new ATOM 0 HB2 LEU A 65 0.882 7.600 -1.623 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.476 5.895 -1.587 1.00 10.00 H new ATOM 0 HG LEU A 65 3.119 5.641 -1.500 1.00 10.00 H new ATOM 0 HD11 LEU A 65 4.147 7.337 -0.085 1.00 10.00 H new ATOM 0 HD12 LEU A 65 3.658 7.964 -1.678 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.681 8.335 -0.237 1.00 10.00 H new ATOM 0 HD21 LEU A 65 2.964 5.472 0.942 1.00 10.00 H new ATOM 0 HD22 LEU A 65 1.380 6.281 0.884 1.00 10.00 H new ATOM 0 HD23 LEU A 65 1.597 4.694 0.110 1.00 10.00 H new ATOM 933 N GLU A 66 1.370 8.651 -4.409 1.00 10.00 N ATOM 934 CA GLU A 66 1.804 9.904 -4.961 1.00 10.00 C ATOM 935 C GLU A 66 1.716 10.930 -3.844 1.00 10.00 C ATOM 936 O GLU A 66 0.655 11.088 -3.252 1.00 10.00 O ATOM 937 CB GLU A 66 0.807 10.369 -6.038 1.00 10.00 C ATOM 938 CG GLU A 66 0.415 9.377 -7.125 1.00 10.00 C ATOM 939 CD GLU A 66 -0.695 9.954 -8.006 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.417 10.838 -8.830 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.892 9.563 -7.854 1.00 10.00 O ATOM 0 H GLU A 66 0.357 8.537 -4.424 1.00 10.00 H new ATOM 0 HA GLU A 66 2.805 9.800 -5.378 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -0.105 10.689 -5.533 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.228 11.249 -6.525 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.285 9.137 -7.737 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.078 8.445 -6.670 1.00 10.00 H new ATOM 948 N GLY A 67 2.774 11.613 -3.554 1.00 10.00 N ATOM 949 CA GLY A 67 2.710 12.614 -2.532 1.00 10.00 C ATOM 950 C GLY A 67 3.934 13.497 -2.564 1.00 10.00 C ATOM 951 O GLY A 67 4.824 13.275 -3.364 1.00 10.00 O ATOM 0 H GLY A 67 3.684 11.502 -4.001 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.815 13.221 -2.668 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.626 12.137 -1.555 1.00 10.00 H new ATOM 955 N HIS A 68 3.969 14.516 -1.740 1.00 10.00 N ATOM 956 CA HIS A 68 5.170 15.334 -1.593 1.00 10.00 C ATOM 957 C HIS A 68 6.240 14.469 -0.884 1.00 10.00 C ATOM 958 O HIS A 68 5.935 13.875 0.125 1.00 10.00 O ATOM 959 CB HIS A 68 4.833 16.604 -0.771 1.00 10.00 C ATOM 960 CG HIS A 68 5.988 17.403 -0.333 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.591 17.265 0.900 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.647 18.317 -0.968 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.604 18.079 0.979 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.671 18.750 -0.151 1.00 10.00 N ATOM 0 H HIS A 68 3.184 14.807 -1.157 1.00 10.00 H new ATOM 0 HA HIS A 68 5.550 15.661 -2.561 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.180 17.240 -1.369 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.266 16.305 0.110 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.433 18.678 -1.963 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.271 18.185 1.822 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.360 19.466 -0.383 1.00 10.00 H new ATOM 973 N PRO A 69 7.508 14.421 -1.408 1.00 10.00 N ATOM 974 CA PRO A 69 8.613 13.513 -0.964 1.00 10.00 C ATOM 975 C PRO A 69 8.673 13.190 0.520 1.00 10.00 C ATOM 976 O PRO A 69 8.809 12.038 0.901 1.00 10.00 O ATOM 977 CB PRO A 69 9.887 14.264 -1.386 1.00 10.00 C ATOM 978 CG PRO A 69 9.415 15.512 -2.065 1.00 10.00 C ATOM 979 CD PRO A 69 8.004 15.256 -2.483 1.00 10.00 C ATOM 0 HA PRO A 69 8.468 12.531 -1.415 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.507 14.499 -0.521 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.494 13.658 -2.058 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.471 16.366 -1.390 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.039 15.745 -2.927 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.434 16.180 -2.576 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.951 14.751 -3.447 1.00 10.00 H new ATOM 987 N ALA A 70 8.543 14.180 1.352 1.00 10.00 N ATOM 988 CA ALA A 70 8.685 13.954 2.770 1.00 10.00 C ATOM 989 C ALA A 70 7.471 13.373 3.402 1.00 10.00 C ATOM 990 O ALA A 70 7.560 12.778 4.455 1.00 10.00 O ATOM 991 CB ALA A 70 9.119 15.166 3.479 1.00 10.00 C ATOM 0 H ALA A 70 8.341 15.143 1.084 1.00 10.00 H new ATOM 0 HA ALA A 70 9.471 13.205 2.865 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.213 14.951 4.543 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.083 15.491 3.088 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.383 15.957 3.332 1.00 10.00 H new ATOM 997 N ALA A 71 6.373 13.536 2.782 1.00 10.00 N ATOM 998 CA ALA A 71 5.161 12.931 3.244 1.00 10.00 C ATOM 999 C ALA A 71 5.264 11.472 2.971 1.00 10.00 C ATOM 1000 O ALA A 71 4.836 10.622 3.757 1.00 10.00 O ATOM 1001 CB ALA A 71 4.025 13.449 2.467 1.00 10.00 C ATOM 0 H ALA A 71 6.272 14.093 1.933 1.00 10.00 H new ATOM 0 HA ALA A 71 5.014 13.142 4.303 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.103 12.988 2.820 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.961 14.530 2.592 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.168 13.214 1.412 1.00 10.00 H new ATOM 1007 N VAL A 72 5.853 11.214 1.828 1.00 10.00 N ATOM 1008 CA VAL A 72 6.107 9.904 1.344 1.00 10.00 C ATOM 1009 C VAL A 72 7.075 9.245 2.284 1.00 10.00 C ATOM 1010 O VAL A 72 6.866 8.151 2.712 1.00 10.00 O ATOM 1011 CB VAL A 72 6.753 9.942 -0.054 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.720 8.615 -0.681 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.085 10.928 -0.935 1.00 10.00 C ATOM 0 H VAL A 72 6.175 11.947 1.196 1.00 10.00 H new ATOM 0 HA VAL A 72 5.164 9.362 1.281 1.00 10.00 H new ATOM 0 HB VAL A 72 7.791 10.248 0.079 1.00 10.00 H new ATOM 0 HG11 VAL A 72 7.182 8.667 -1.667 1.00 10.00 H new ATOM 0 HG12 VAL A 72 7.268 7.906 -0.061 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.686 8.286 -0.781 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.567 10.928 -1.913 1.00 10.00 H new ATOM 0 HG22 VAL A 72 5.034 10.661 -1.048 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.162 11.921 -0.493 1.00 10.00 H new ATOM 1023 N ALA A 73 8.122 9.941 2.621 1.00 10.00 N ATOM 1024 CA ALA A 73 9.105 9.399 3.518 1.00 10.00 C ATOM 1025 C ALA A 73 8.602 9.271 4.943 1.00 10.00 C ATOM 1026 O ALA A 73 8.973 8.352 5.634 1.00 10.00 O ATOM 1027 CB ALA A 73 10.343 10.172 3.498 1.00 10.00 C ATOM 0 H ALA A 73 8.318 10.885 2.289 1.00 10.00 H new ATOM 0 HA ALA A 73 9.310 8.394 3.149 1.00 10.00 H new ATOM 0 HB1 ALA A 73 11.060 9.729 4.190 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.759 10.166 2.491 1.00 10.00 H new ATOM 0 HB3 ALA A 73 10.136 11.199 3.799 1.00 10.00 H new ATOM 1033 N GLU A 74 7.788 10.206 5.372 1.00 10.00 N ATOM 1034 CA GLU A 74 7.141 10.141 6.679 1.00 10.00 C ATOM 1035 C GLU A 74 6.243 8.928 6.719 1.00 10.00 C ATOM 1036 O GLU A 74 6.083 8.283 7.767 1.00 10.00 O ATOM 1037 CB GLU A 74 6.324 11.409 6.948 1.00 10.00 C ATOM 1038 CG GLU A 74 5.493 11.368 8.219 1.00 10.00 C ATOM 1039 CD GLU A 74 4.560 12.542 8.336 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.544 12.583 7.605 1.00 10.00 O ATOM 1041 OE2 GLU A 74 4.805 13.424 9.177 1.00 10.00 O ATOM 0 H GLU A 74 7.550 11.037 4.831 1.00 10.00 H new ATOM 0 HA GLU A 74 7.905 10.064 7.453 1.00 10.00 H new ATOM 0 HB2 GLU A 74 7.004 12.259 7.001 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.660 11.584 6.101 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.914 10.445 8.241 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.157 11.349 9.083 1.00 10.00 H new ATOM 1048 N VAL A 75 5.645 8.615 5.602 1.00 10.00 N ATOM 1049 CA VAL A 75 4.889 7.449 5.554 1.00 10.00 C ATOM 1050 C VAL A 75 5.860 6.255 5.519 1.00 10.00 C ATOM 1051 O VAL A 75 5.677 5.335 6.272 1.00 10.00 O ATOM 1052 CB VAL A 75 3.803 7.443 4.417 1.00 10.00 C ATOM 1053 CG1 VAL A 75 4.246 6.827 3.104 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.514 6.844 4.913 1.00 10.00 C ATOM 0 H VAL A 75 5.680 9.158 4.739 1.00 10.00 H new ATOM 0 HA VAL A 75 4.277 7.374 6.453 1.00 10.00 H new ATOM 0 HB VAL A 75 3.637 8.492 4.172 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.427 6.871 2.387 1.00 10.00 H new ATOM 0 HG12 VAL A 75 5.101 7.379 2.713 1.00 10.00 H new ATOM 0 HG13 VAL A 75 4.529 5.787 3.267 1.00 10.00 H new ATOM 0 HG21 VAL A 75 1.777 6.850 4.110 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.690 5.818 5.236 1.00 10.00 H new ATOM 0 HG23 VAL A 75 2.140 7.430 5.753 1.00 10.00 H new ATOM 1064 N MET A 76 6.956 6.336 4.706 1.00 10.00 N ATOM 1065 CA MET A 76 7.976 5.284 4.659 1.00 10.00 C ATOM 1066 C MET A 76 8.482 4.947 6.035 1.00 10.00 C ATOM 1067 O MET A 76 8.385 3.821 6.433 1.00 10.00 O ATOM 1068 CB MET A 76 9.184 5.691 3.791 1.00 10.00 C ATOM 1069 CG MET A 76 8.909 6.018 2.330 1.00 10.00 C ATOM 1070 SD MET A 76 8.586 4.626 1.237 1.00 10.00 S ATOM 1071 CE MET A 76 7.079 3.973 1.908 1.00 10.00 C ATOM 0 H MET A 76 7.140 7.122 4.083 1.00 10.00 H new ATOM 0 HA MET A 76 7.489 4.414 4.218 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.652 6.562 4.250 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.913 4.881 3.825 1.00 10.00 H new ATOM 0 HG2 MET A 76 8.052 6.690 2.287 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.765 6.567 1.937 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.521 3.465 1.122 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.312 3.265 2.703 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.477 4.787 2.312 1.00 10.00 H new ATOM 1081 N SER A 77 8.913 5.936 6.780 1.00 10.00 N ATOM 1082 CA SER A 77 9.473 5.732 8.109 1.00 10.00 C ATOM 1083 C SER A 77 8.506 4.982 9.023 1.00 10.00 C ATOM 1084 O SER A 77 8.896 4.065 9.742 1.00 10.00 O ATOM 1085 CB SER A 77 9.879 7.076 8.698 1.00 10.00 C ATOM 1086 OG SER A 77 8.802 7.997 8.662 1.00 10.00 O ATOM 0 H SER A 77 8.888 6.913 6.487 1.00 10.00 H new ATOM 0 HA SER A 77 10.360 5.104 8.023 1.00 10.00 H new ATOM 0 HB2 SER A 77 10.210 6.940 9.727 1.00 10.00 H new ATOM 0 HB3 SER A 77 10.725 7.479 8.141 1.00 10.00 H new ATOM 0 HG SER A 77 8.056 7.609 8.158 1.00 10.00 H new ATOM 1092 N HIS A 78 7.247 5.324 8.935 1.00 10.00 N ATOM 1093 CA HIS A 78 6.245 4.658 9.760 1.00 10.00 C ATOM 1094 C HIS A 78 5.822 3.290 9.193 1.00 10.00 C ATOM 1095 O HIS A 78 5.475 2.391 9.944 1.00 10.00 O ATOM 1096 CB HIS A 78 5.028 5.562 10.012 1.00 10.00 C ATOM 1097 CG HIS A 78 5.334 6.740 10.900 1.00 10.00 C ATOM 1098 ND1 HIS A 78 5.819 7.938 10.426 1.00 10.00 N ATOM 1099 CD2 HIS A 78 5.236 6.888 12.240 1.00 10.00 C ATOM 1100 CE1 HIS A 78 6.007 8.766 11.428 1.00 10.00 C ATOM 1101 NE2 HIS A 78 5.664 8.159 12.542 1.00 10.00 N ATOM 0 H HIS A 78 6.884 6.047 8.314 1.00 10.00 H new ATOM 0 HA HIS A 78 6.719 4.462 10.722 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.650 5.925 9.056 1.00 10.00 H new ATOM 0 HB3 HIS A 78 4.233 4.971 10.466 1.00 10.00 H new ATOM 0 HD1 HIS A 78 6.004 8.150 9.446 1.00 10.00 H new ATOM 0 HD2 HIS A 78 4.887 6.146 12.943 1.00 10.00 H new ATOM 0 HE1 HIS A 78 6.381 9.776 11.350 1.00 10.00 H new ATOM 1110 N ILE A 79 5.885 3.123 7.879 1.00 10.00 N ATOM 1111 CA ILE A 79 5.439 1.869 7.263 1.00 10.00 C ATOM 1112 C ILE A 79 6.598 0.849 7.140 1.00 10.00 C ATOM 1113 O ILE A 79 6.368 -0.368 7.067 1.00 10.00 O ATOM 1114 CB ILE A 79 4.821 2.075 5.838 1.00 10.00 C ATOM 1115 CG1 ILE A 79 3.810 3.178 5.799 1.00 10.00 C ATOM 1116 CG2 ILE A 79 4.115 0.846 5.425 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.242 3.412 4.404 1.00 10.00 C ATOM 0 H ILE A 79 6.233 3.823 7.224 1.00 10.00 H new ATOM 0 HA ILE A 79 4.667 1.484 7.930 1.00 10.00 H new ATOM 0 HB ILE A 79 5.652 2.323 5.178 1.00 10.00 H new ATOM 0 HG12 ILE A 79 2.995 2.941 6.483 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.270 4.099 6.158 1.00 10.00 H new ATOM 0 HG21 ILE A 79 3.685 0.989 4.434 1.00 10.00 H new ATOM 0 HG22 ILE A 79 4.818 0.014 5.399 1.00 10.00 H new ATOM 0 HG23 ILE A 79 3.320 0.626 6.137 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.515 4.223 4.439 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.050 3.678 3.722 1.00 10.00 H new ATOM 0 HD13 ILE A 79 2.755 2.503 4.052 1.00 10.00 H new ATOM 1129 N GLN A 80 7.837 1.335 7.079 1.00 10.00 N ATOM 1130 CA GLN A 80 8.996 0.433 6.923 1.00 10.00 C ATOM 1131 C GLN A 80 9.276 -0.316 8.202 1.00 10.00 C ATOM 1132 O GLN A 80 9.813 -1.414 8.193 1.00 10.00 O ATOM 1133 CB GLN A 80 10.266 1.162 6.435 1.00 10.00 C ATOM 1134 CG GLN A 80 10.125 1.870 5.084 1.00 10.00 C ATOM 1135 CD GLN A 80 9.427 1.054 4.071 1.00 10.00 C ATOM 1136 OE1 GLN A 80 10.025 0.269 3.363 1.00 10.00 O ATOM 1137 NE2 GLN A 80 8.141 1.264 3.967 1.00 10.00 N ATOM 0 H GLN A 80 8.070 2.326 7.133 1.00 10.00 H new ATOM 0 HA GLN A 80 8.723 -0.282 6.146 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.556 1.897 7.185 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.079 0.439 6.367 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.582 2.805 5.226 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.116 2.130 4.712 1.00 10.00 H new ATOM 0 HE21 GLN A 80 7.682 1.934 4.584 1.00 10.00 H new ATOM 0 HE22 GLN A 80 7.596 0.758 3.268 1.00 10.00 H new ATOM 1146 N ARG A 81 8.863 0.258 9.301 1.00 10.00 N ATOM 1147 CA ARG A 81 9.027 -0.370 10.607 1.00 10.00 C ATOM 1148 C ARG A 81 7.860 -1.326 10.896 1.00 10.00 C ATOM 1149 O ARG A 81 7.558 -1.630 12.057 1.00 10.00 O ATOM 1150 CB ARG A 81 9.115 0.698 11.692 1.00 10.00 C ATOM 1151 CG ARG A 81 10.201 1.706 11.442 1.00 10.00 C ATOM 1152 CD ARG A 81 10.293 2.743 12.543 1.00 10.00 C ATOM 1153 NE ARG A 81 10.815 2.190 13.795 1.00 10.00 N ATOM 1154 CZ ARG A 81 11.482 2.899 14.716 1.00 10.00 C ATOM 1155 NH1 ARG A 81 11.627 4.216 14.571 1.00 10.00 N ATOM 1156 NH2 ARG A 81 11.994 2.292 15.784 1.00 10.00 N ATOM 0 H ARG A 81 8.405 1.169 9.328 1.00 10.00 H new ATOM 0 HA ARG A 81 9.952 -0.947 10.602 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.158 1.215 11.763 1.00 10.00 H new ATOM 0 HB3 ARG A 81 9.289 0.216 12.654 1.00 10.00 H new ATOM 0 HG2 ARG A 81 11.157 1.191 11.352 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.017 2.206 10.491 1.00 10.00 H new ATOM 0 HD2 ARG A 81 10.936 3.560 12.215 1.00 10.00 H new ATOM 0 HD3 ARG A 81 9.305 3.167 12.721 1.00 10.00 H new ATOM 0 HE ARG A 81 10.660 1.199 13.978 1.00 10.00 H new ATOM 0 HH11 ARG A 81 11.230 4.686 13.758 1.00 10.00 H new ATOM 0 HH12 ARG A 81 12.135 4.754 15.273 1.00 10.00 H new ATOM 0 HH21 ARG A 81 11.879 1.285 15.903 1.00 10.00 H new ATOM 0 HH22 ARG A 81 12.501 2.833 16.484 1.00 10.00 H new ATOM 1170 N ASP A 82 7.233 -1.833 9.839 1.00 10.00 N ATOM 1171 CA ASP A 82 6.110 -2.729 10.000 1.00 10.00 C ATOM 1172 C ASP A 82 6.594 -4.196 10.156 1.00 10.00 C ATOM 1173 O ASP A 82 7.691 -4.439 10.655 1.00 10.00 O ATOM 1174 CB ASP A 82 5.118 -2.590 8.850 1.00 10.00 C ATOM 1175 CG ASP A 82 3.800 -3.286 9.108 1.00 10.00 C ATOM 1176 OD1 ASP A 82 3.156 -3.015 10.111 1.00 10.00 O ATOM 1177 OD2 ASP A 82 3.483 -4.209 8.338 1.00 10.00 O ATOM 0 H ASP A 82 7.487 -1.636 8.871 1.00 10.00 H new ATOM 0 HA ASP A 82 5.586 -2.449 10.914 1.00 10.00 H new ATOM 0 HB2 ASP A 82 4.932 -1.532 8.666 1.00 10.00 H new ATOM 0 HB3 ASP A 82 5.565 -2.998 7.943 1.00 10.00 H new ATOM 1182 N ARG A 83 5.785 -5.151 9.685 1.00 10.00 N ATOM 1183 CA ARG A 83 5.887 -6.558 10.048 1.00 10.00 C ATOM 1184 C ARG A 83 4.737 -7.355 9.407 1.00 10.00 C ATOM 1185 O ARG A 83 4.910 -8.504 9.009 1.00 10.00 O ATOM 1186 CB ARG A 83 5.801 -6.642 11.589 1.00 10.00 C ATOM 1187 CG ARG A 83 4.683 -5.766 12.174 1.00 10.00 C ATOM 1188 CD ARG A 83 4.915 -5.469 13.627 1.00 10.00 C ATOM 1189 NE ARG A 83 3.990 -4.440 14.129 1.00 10.00 N ATOM 1190 CZ ARG A 83 3.774 -4.180 15.419 1.00 10.00 C ATOM 1191 NH1 ARG A 83 4.258 -4.989 16.351 1.00 10.00 N ATOM 1192 NH2 ARG A 83 3.028 -3.146 15.771 1.00 10.00 N ATOM 0 H ARG A 83 5.028 -4.958 9.029 1.00 10.00 H new ATOM 0 HA ARG A 83 6.826 -6.982 9.692 1.00 10.00 H new ATOM 0 HB2 ARG A 83 5.635 -7.678 11.883 1.00 10.00 H new ATOM 0 HB3 ARG A 83 6.756 -6.338 12.018 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.623 -4.831 11.616 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.724 -6.271 12.054 1.00 10.00 H new ATOM 0 HD2 ARG A 83 4.793 -6.383 14.209 1.00 10.00 H new ATOM 0 HD3 ARG A 83 5.943 -5.135 13.770 1.00 10.00 H new ATOM 0 HE ARG A 83 3.478 -3.887 13.442 1.00 10.00 H new ATOM 0 HH11 ARG A 83 4.797 -5.812 16.082 1.00 10.00 H new ATOM 0 HH12 ARG A 83 4.092 -4.788 17.337 1.00 10.00 H new ATOM 0 HH21 ARG A 83 2.617 -2.546 15.055 1.00 10.00 H new ATOM 0 HH22 ARG A 83 2.864 -2.948 16.758 1.00 10.00 H new ATOM 1206 N ARG A 84 3.582 -6.697 9.264 1.00 10.00 N ATOM 1207 CA ARG A 84 2.364 -7.292 8.728 1.00 10.00 C ATOM 1208 C ARG A 84 2.577 -7.531 7.236 1.00 10.00 C ATOM 1209 O ARG A 84 2.250 -8.550 6.675 1.00 10.00 O ATOM 1210 CB ARG A 84 1.192 -6.308 8.915 1.00 10.00 C ATOM 1211 CG ARG A 84 1.155 -5.625 10.271 1.00 10.00 C ATOM 1212 CD ARG A 84 -0.110 -4.830 10.442 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.027 -3.859 11.547 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.970 -3.646 12.478 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -1.894 -4.560 12.716 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -0.929 -2.551 13.228 1.00 10.00 N ATOM 0 H ARG A 84 3.471 -5.717 9.524 1.00 10.00 H new ATOM 0 HA ARG A 84 2.138 -8.227 9.241 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.247 -5.545 8.139 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.255 -6.846 8.767 1.00 10.00 H new ATOM 0 HG2 ARG A 84 1.228 -6.373 11.061 1.00 10.00 H new ATOM 0 HG3 ARG A 84 2.018 -4.968 10.374 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -0.330 -4.301 9.515 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -0.941 -5.512 10.625 1.00 10.00 H new ATOM 0 HE ARG A 84 0.823 -3.299 11.610 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -1.894 -5.434 12.191 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -2.608 -4.391 13.425 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -0.180 -1.871 13.097 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -1.646 -2.390 13.935 1.00 10.00 H new ATOM 1230 N HIS A 85 3.127 -6.564 6.621 1.00 10.00 N ATOM 1231 CA HIS A 85 3.519 -6.646 5.266 1.00 10.00 C ATOM 1232 C HIS A 85 4.939 -7.053 5.240 1.00 10.00 C ATOM 1233 O HIS A 85 5.834 -6.278 5.472 1.00 10.00 O ATOM 1234 CB HIS A 85 3.216 -5.402 4.396 1.00 10.00 C ATOM 1235 CG HIS A 85 3.859 -4.082 4.718 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.769 -3.023 3.873 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.597 -3.637 5.761 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.412 -2.037 4.379 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.911 -2.374 5.513 1.00 10.00 N ATOM 0 H HIS A 85 3.326 -5.663 7.055 1.00 10.00 H new ATOM 0 HA HIS A 85 2.895 -7.396 4.781 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.485 -5.651 3.370 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.137 -5.249 4.414 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.878 -4.206 6.635 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.519 -1.066 3.919 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.460 -1.768 6.123 1.00 10.00 H new ATOM 1248 N SER A 86 5.091 -8.265 4.953 1.00 10.00 N ATOM 1249 CA SER A 86 6.313 -9.033 5.070 1.00 10.00 C ATOM 1250 C SER A 86 7.670 -8.475 4.610 1.00 10.00 C ATOM 1251 O SER A 86 8.707 -9.030 4.969 1.00 10.00 O ATOM 1252 CB SER A 86 6.087 -10.341 4.523 1.00 10.00 C ATOM 1253 OG SER A 86 5.647 -11.244 5.499 1.00 10.00 O ATOM 0 H SER A 86 4.318 -8.827 4.596 1.00 10.00 H new ATOM 0 HA SER A 86 6.481 -9.008 6.147 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.347 -10.279 3.725 1.00 10.00 H new ATOM 0 HB3 SER A 86 7.009 -10.711 4.074 1.00 10.00 H new ATOM 0 HG SER A 86 5.804 -12.161 5.191 1.00 10.00 H new ATOM 1259 N ASN A 87 7.686 -7.426 3.874 1.00 10.00 N ATOM 1260 CA ASN A 87 8.968 -6.943 3.335 1.00 10.00 C ATOM 1261 C ASN A 87 9.075 -5.487 3.256 1.00 10.00 C ATOM 1262 O ASN A 87 9.990 -4.882 3.779 1.00 10.00 O ATOM 1263 CB ASN A 87 9.343 -7.552 1.968 1.00 10.00 C ATOM 1264 CG ASN A 87 9.557 -9.037 1.981 1.00 10.00 C ATOM 1265 OD1 ASN A 87 8.615 -9.811 1.781 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.768 -9.452 2.200 1.00 10.00 N ATOM 0 H ASN A 87 6.866 -6.876 3.618 1.00 10.00 H new ATOM 0 HA ASN A 87 9.685 -7.296 4.077 1.00 10.00 H new ATOM 0 HB2 ASN A 87 8.554 -7.318 1.253 1.00 10.00 H new ATOM 0 HB3 ASN A 87 10.252 -7.071 1.608 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.970 -10.452 2.211 1.00 10.00 H new ATOM 0 HD22 ASN A 87 11.517 -8.778 2.361 1.00 10.00 H new ATOM 1273 N VAL A 88 8.117 -4.970 2.665 1.00 10.00 N ATOM 1274 CA VAL A 88 8.046 -3.651 2.220 1.00 10.00 C ATOM 1275 C VAL A 88 9.256 -3.137 1.506 1.00 10.00 C ATOM 1276 O VAL A 88 10.044 -2.343 1.997 1.00 10.00 O ATOM 1277 CB VAL A 88 7.313 -2.688 3.124 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.907 -2.510 4.466 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.018 -1.400 2.462 1.00 10.00 C ATOM 0 H VAL A 88 7.271 -5.498 2.451 1.00 10.00 H new ATOM 0 HA VAL A 88 7.341 -3.716 1.391 1.00 10.00 H new ATOM 0 HB VAL A 88 6.359 -3.180 3.316 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.309 -1.801 5.038 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.928 -3.468 4.985 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.924 -2.130 4.366 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.491 -0.746 3.157 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.951 -0.927 2.155 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.395 -1.576 1.585 1.00 10.00 H new ATOM 1289 N GLU A 89 9.411 -3.680 0.354 1.00 10.00 N ATOM 1290 CA GLU A 89 10.447 -3.317 -0.523 1.00 10.00 C ATOM 1291 C GLU A 89 9.942 -2.277 -1.449 1.00 10.00 C ATOM 1292 O GLU A 89 9.266 -2.589 -2.426 1.00 10.00 O ATOM 1293 CB GLU A 89 10.907 -4.516 -1.291 1.00 10.00 C ATOM 1294 CG GLU A 89 11.615 -5.512 -0.442 1.00 10.00 C ATOM 1295 CD GLU A 89 11.697 -6.847 -1.090 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.689 -7.567 -1.101 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.739 -7.193 -1.655 1.00 10.00 O ATOM 0 H GLU A 89 8.799 -4.410 -0.009 1.00 10.00 H new ATOM 0 HA GLU A 89 11.293 -2.925 0.041 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.046 -4.993 -1.760 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.570 -4.194 -2.094 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.621 -5.153 -0.226 1.00 10.00 H new ATOM 0 HG3 GLU A 89 11.098 -5.605 0.513 1.00 10.00 H new ATOM 1304 N ILE A 90 10.085 -1.051 -1.010 1.00 10.00 N ATOM 1305 CA ILE A 90 9.871 0.121 -1.839 1.00 10.00 C ATOM 1306 C ILE A 90 10.676 -0.093 -3.069 1.00 10.00 C ATOM 1307 O ILE A 90 10.174 -0.452 -4.107 1.00 10.00 O ATOM 1308 CB ILE A 90 10.366 1.437 -1.120 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.073 1.407 0.366 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.723 2.691 -1.711 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.632 1.236 0.685 1.00 10.00 C ATOM 0 H ILE A 90 10.358 -0.830 -0.052 1.00 10.00 H new ATOM 0 HA ILE A 90 8.809 0.246 -2.049 1.00 10.00 H new ATOM 0 HB ILE A 90 11.443 1.475 -1.281 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.637 0.593 0.823 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.429 2.333 0.817 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.093 3.572 -1.186 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.977 2.766 -2.768 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.640 2.631 -1.601 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.498 1.224 1.767 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.064 2.063 0.258 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.275 0.296 0.264 1.00 10.00 H new ATOM 1323 N LEU A 91 11.932 0.041 -2.897 1.00 10.00 N ATOM 1324 CA LEU A 91 12.947 -0.117 -3.922 1.00 10.00 C ATOM 1325 C LEU A 91 12.810 0.913 -5.060 1.00 10.00 C ATOM 1326 O LEU A 91 13.731 1.075 -5.871 1.00 10.00 O ATOM 1327 CB LEU A 91 12.990 -1.567 -4.454 1.00 10.00 C ATOM 1328 CG LEU A 91 13.276 -2.667 -3.404 1.00 10.00 C ATOM 1329 CD1 LEU A 91 13.250 -4.043 -4.051 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.621 -2.434 -2.721 1.00 10.00 C ATOM 0 H LEU A 91 12.329 0.279 -1.988 1.00 10.00 H new ATOM 0 HA LEU A 91 13.907 0.086 -3.447 1.00 10.00 H new ATOM 0 HB2 LEU A 91 12.034 -1.787 -4.930 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.753 -1.626 -5.230 1.00 10.00 H new ATOM 0 HG LEU A 91 12.493 -2.619 -2.647 1.00 10.00 H new ATOM 0 HD11 LEU A 91 13.453 -4.803 -3.297 1.00 10.00 H new ATOM 0 HD12 LEU A 91 12.268 -4.220 -4.490 1.00 10.00 H new ATOM 0 HD13 LEU A 91 14.010 -4.093 -4.831 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.798 -3.221 -1.988 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.415 -2.448 -3.467 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.612 -1.466 -2.220 1.00 10.00 H new ATOM 1342 N ALA A 92 11.672 1.608 -5.128 1.00 10.00 N ATOM 1343 CA ALA A 92 11.481 2.617 -6.124 1.00 10.00 C ATOM 1344 C ALA A 92 10.782 3.819 -5.535 1.00 10.00 C ATOM 1345 O ALA A 92 9.631 3.745 -5.114 1.00 10.00 O ATOM 1346 CB ALA A 92 10.694 2.065 -7.303 1.00 10.00 C ATOM 0 H ALA A 92 10.881 1.477 -4.498 1.00 10.00 H new ATOM 0 HA ALA A 92 12.460 2.932 -6.484 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.560 2.848 -8.049 1.00 10.00 H new ATOM 0 HB2 ALA A 92 11.239 1.231 -7.746 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.719 1.720 -6.960 1.00 10.00 H new ATOM 1352 N GLU A 93 11.489 4.897 -5.472 1.00 10.00 N ATOM 1353 CA GLU A 93 10.959 6.157 -5.057 1.00 10.00 C ATOM 1354 C GLU A 93 11.301 7.105 -6.174 1.00 10.00 C ATOM 1355 O GLU A 93 12.477 7.390 -6.407 1.00 10.00 O ATOM 1356 CB GLU A 93 11.614 6.614 -3.739 1.00 10.00 C ATOM 1357 CG GLU A 93 11.421 5.665 -2.586 1.00 10.00 C ATOM 1358 CD GLU A 93 12.308 5.982 -1.413 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.985 6.878 -0.615 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.376 5.347 -1.283 1.00 10.00 O ATOM 0 H GLU A 93 12.479 4.929 -5.714 1.00 10.00 H new ATOM 0 HA GLU A 93 9.886 6.110 -4.871 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.682 6.750 -3.907 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.208 7.587 -3.464 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.379 5.696 -2.266 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.621 4.647 -2.922 1.00 10.00 H new ATOM 1367 N GLU A 94 10.313 7.547 -6.884 1.00 10.00 N ATOM 1368 CA GLU A 94 10.530 8.352 -8.061 1.00 10.00 C ATOM 1369 C GLU A 94 9.829 9.682 -7.976 1.00 10.00 C ATOM 1370 O GLU A 94 8.735 9.778 -7.430 1.00 10.00 O ATOM 1371 CB GLU A 94 10.102 7.591 -9.325 1.00 10.00 C ATOM 1372 CG GLU A 94 8.727 6.948 -9.237 1.00 10.00 C ATOM 1373 CD GLU A 94 8.260 6.387 -10.548 1.00 10.00 C ATOM 1374 OE1 GLU A 94 8.756 5.321 -10.984 1.00 10.00 O ATOM 1375 OE2 GLU A 94 7.394 7.013 -11.193 1.00 10.00 O ATOM 0 H GLU A 94 9.332 7.365 -6.672 1.00 10.00 H new ATOM 0 HA GLU A 94 11.599 8.555 -8.120 1.00 10.00 H new ATOM 0 HB2 GLU A 94 10.114 8.279 -10.170 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.839 6.816 -9.535 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.751 6.151 -8.494 1.00 10.00 H new ATOM 0 HG3 GLU A 94 8.007 7.688 -8.887 1.00 10.00 H new ATOM 1382 N SER A 95 10.468 10.705 -8.500 1.00 10.00 N ATOM 1383 CA SER A 95 9.891 12.021 -8.542 1.00 10.00 C ATOM 1384 C SER A 95 8.745 12.028 -9.536 1.00 10.00 C ATOM 1385 O SER A 95 8.900 11.581 -10.683 1.00 10.00 O ATOM 1386 CB SER A 95 10.952 13.025 -8.944 1.00 10.00 C ATOM 1387 OG SER A 95 12.072 12.934 -8.072 1.00 10.00 O ATOM 0 H SER A 95 11.401 10.643 -8.907 1.00 10.00 H new ATOM 0 HA SER A 95 9.509 12.295 -7.559 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.266 12.841 -9.971 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.539 14.033 -8.913 1.00 10.00 H new ATOM 0 HG SER A 95 12.751 13.586 -8.343 1.00 10.00 H new ATOM 1393 N ILE A 96 7.607 12.469 -9.099 1.00 10.00 N ATOM 1394 CA ILE A 96 6.440 12.490 -9.952 1.00 10.00 C ATOM 1395 C ILE A 96 5.841 13.850 -10.170 1.00 10.00 C ATOM 1396 O ILE A 96 6.147 14.803 -9.464 1.00 10.00 O ATOM 1397 CB ILE A 96 5.345 11.573 -9.479 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.943 11.891 -8.066 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.792 10.139 -9.625 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.617 11.384 -7.667 1.00 10.00 C ATOM 0 H ILE A 96 7.452 12.822 -8.155 1.00 10.00 H new ATOM 0 HA ILE A 96 6.840 12.138 -10.903 1.00 10.00 H new ATOM 0 HB ILE A 96 4.460 11.724 -10.098 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.692 11.479 -7.390 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.956 12.973 -7.935 1.00 10.00 H new ATOM 0 HG21 ILE A 96 4.999 9.474 -9.282 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.013 9.931 -10.672 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.688 9.974 -9.026 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.417 11.663 -6.633 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.853 11.815 -8.314 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.600 10.298 -7.760 1.00 10.00 H new ATOM 1412 N ALA A 97 4.962 13.915 -11.158 1.00 10.00 N ATOM 1413 CA ALA A 97 4.188 15.115 -11.466 1.00 10.00 C ATOM 1414 C ALA A 97 2.879 15.017 -10.832 1.00 10.00 C ATOM 1415 O ALA A 97 2.093 15.976 -10.783 1.00 10.00 O ATOM 1416 CB ALA A 97 3.964 15.256 -12.919 1.00 10.00 C ATOM 0 H ALA A 97 4.761 13.130 -11.777 1.00 10.00 H new ATOM 0 HA ALA A 97 4.751 15.974 -11.100 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.385 16.159 -13.112 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.924 15.324 -13.430 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.417 14.389 -13.289 1.00 10.00 H new ATOM 1422 N LYS A 98 2.683 13.861 -10.329 1.00 10.00 N ATOM 1423 CA LYS A 98 1.529 13.423 -9.727 1.00 10.00 C ATOM 1424 C LYS A 98 0.297 13.516 -10.689 1.00 10.00 C ATOM 1425 O LYS A 98 0.469 13.658 -11.924 1.00 10.00 O ATOM 1426 CB LYS A 98 1.455 14.185 -8.450 1.00 10.00 C ATOM 1427 CG LYS A 98 0.505 13.736 -7.510 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.583 14.724 -7.360 1.00 10.00 C ATOM 1429 CE LYS A 98 -1.778 14.047 -6.863 1.00 10.00 C ATOM 1430 NZ LYS A 98 -2.858 14.995 -6.516 1.00 10.00 N ATOM 0 H LYS A 98 3.408 13.144 -10.340 1.00 10.00 H new ATOM 0 HA LYS A 98 1.524 12.358 -9.494 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.438 14.162 -7.980 1.00 10.00 H new ATOM 0 HB3 LYS A 98 1.238 15.227 -8.685 1.00 10.00 H new ATOM 0 HG2 LYS A 98 0.093 12.779 -7.830 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.988 13.570 -6.547 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.283 15.512 -6.670 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -0.792 15.201 -8.317 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -2.139 13.350 -7.619 1.00 10.00 H new ATOM 0 HE3 LYS A 98 -1.519 13.457 -5.984 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -3.684 14.468 -6.168 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -2.525 15.644 -5.775 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -3.125 15.541 -7.360 1.00 10.00 H new ATOM 1444 N ARG A 99 -0.887 13.299 -10.143 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.155 13.384 -10.843 1.00 10.00 C ATOM 1446 C ARG A 99 -2.430 12.093 -11.599 1.00 10.00 C ATOM 1447 O ARG A 99 -2.793 12.074 -12.772 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.255 14.716 -11.669 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.476 14.963 -12.573 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.811 14.829 -11.869 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.322 13.451 -11.922 1.00 10.00 N ATOM 1452 CZ ARG A 99 -6.535 13.069 -11.526 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -7.355 13.946 -10.950 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -6.930 11.810 -11.714 1.00 10.00 N ATOM 0 H ARG A 99 -0.994 13.049 -9.160 1.00 10.00 H new ATOM 0 HA ARG A 99 -2.980 13.462 -10.135 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.201 15.543 -10.961 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.367 14.777 -12.298 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.402 15.964 -12.998 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -3.445 14.260 -13.405 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.706 15.138 -10.829 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -5.534 15.502 -12.330 1.00 10.00 H new ATOM 0 HE ARG A 99 -4.699 12.732 -12.291 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -7.054 14.911 -10.812 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -8.284 13.653 -10.647 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -6.304 11.140 -12.161 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -7.859 11.516 -11.411 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.252 11.003 -10.892 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.579 9.716 -11.421 1.00 10.00 C ATOM 1470 C ARG A 100 -3.916 9.219 -10.871 1.00 10.00 C ATOM 1471 O ARG A 100 -4.889 9.119 -11.608 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.482 8.700 -11.135 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.140 9.083 -11.703 1.00 10.00 C ATOM 1474 CD ARG A 100 0.911 8.020 -11.419 1.00 10.00 C ATOM 1475 NE ARG A 100 0.530 6.713 -11.990 1.00 10.00 N ATOM 1476 CZ ARG A 100 1.328 5.640 -12.114 1.00 10.00 C ATOM 1477 NH1 ARG A 100 2.612 5.703 -11.789 1.00 10.00 N ATOM 1478 NH2 ARG A 100 0.830 4.504 -12.583 1.00 10.00 N ATOM 0 H ARG A 100 -1.879 10.990 -9.943 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.667 9.825 -12.502 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.388 8.574 -10.056 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.778 7.734 -11.544 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.228 9.230 -12.779 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.179 10.034 -11.276 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.869 8.334 -11.835 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.048 7.921 -10.342 1.00 10.00 H new ATOM 0 HE ARG A 100 -0.430 6.616 -12.322 1.00 10.00 H new ATOM 0 HH11 ARG A 100 3.007 6.576 -11.439 1.00 10.00 H new ATOM 0 HH12 ARG A 100 3.204 4.879 -11.889 1.00 10.00 H new ATOM 0 HH21 ARG A 100 -0.154 4.449 -12.847 1.00 10.00 H new ATOM 0 HH22 ARG A 100 1.431 3.685 -12.680 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.986 8.947 -9.581 1.00 10.00 N ATOM 1493 CA PHE A 101 -5.197 8.315 -9.039 1.00 10.00 C ATOM 1494 C PHE A 101 -6.125 9.240 -8.331 1.00 10.00 C ATOM 1495 O PHE A 101 -7.299 8.913 -8.121 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.899 7.056 -8.235 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.613 5.862 -9.091 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.483 5.807 -9.878 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.499 4.797 -9.125 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.235 4.720 -10.678 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.254 3.703 -9.925 1.00 10.00 C ATOM 1502 CZ PHE A 101 -4.116 3.668 -10.703 1.00 10.00 C ATOM 0 H PHE A 101 -3.251 9.142 -8.901 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.750 8.002 -9.924 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -4.044 7.242 -7.585 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.749 6.836 -7.589 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.784 6.630 -9.865 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.391 4.825 -8.517 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.345 4.692 -11.289 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.949 2.877 -9.943 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.918 2.813 -11.332 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.602 10.367 -7.967 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.333 11.476 -7.286 1.00 10.00 C ATOM 1514 C ALA A 102 -6.779 11.165 -5.842 1.00 10.00 C ATOM 1515 O ALA A 102 -7.018 12.083 -5.054 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.484 12.007 -8.123 1.00 10.00 C ATOM 0 H ALA A 102 -4.618 10.584 -8.126 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.591 12.269 -7.191 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.984 12.812 -7.585 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.100 12.387 -9.070 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.195 11.203 -8.316 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.891 9.922 -5.531 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.201 9.462 -4.207 1.00 10.00 C ATOM 1524 C GLY A 103 -6.602 8.103 -4.050 1.00 10.00 C ATOM 1525 O GLY A 103 -6.275 7.485 -5.057 1.00 10.00 O ATOM 0 H GLY A 103 -6.767 9.167 -6.206 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.799 10.146 -3.460 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.280 9.425 -4.057 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.392 7.638 -2.840 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.866 6.301 -2.644 1.00 10.00 C ATOM 1531 C TRP A 104 -6.980 5.261 -2.735 1.00 10.00 C ATOM 1532 O TRP A 104 -8.070 5.451 -2.197 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.996 6.226 -1.369 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.668 4.865 -0.852 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.551 4.118 -1.079 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.473 4.114 0.029 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.640 2.942 -0.384 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.815 2.926 0.298 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.704 4.343 0.611 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -5.363 1.980 1.133 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -7.227 3.440 1.409 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -6.580 2.280 1.673 1.00 10.00 C ATOM 0 H TRP A 104 -6.574 8.158 -1.982 1.00 10.00 H new ATOM 0 HA TRP A 104 -5.183 6.053 -3.457 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -4.060 6.748 -1.566 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.506 6.775 -0.578 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.724 4.409 -1.710 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.940 2.200 -0.379 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -7.235 5.262 0.411 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.858 1.050 1.349 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -8.189 3.626 1.862 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -7.045 1.565 2.336 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.717 4.203 -3.492 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.703 3.187 -3.783 1.00 10.00 C ATOM 1555 C HIS A 105 -7.231 1.810 -3.366 1.00 10.00 C ATOM 1556 O HIS A 105 -6.365 1.233 -4.019 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.946 3.167 -5.289 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.689 4.343 -5.836 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -10.052 4.459 -5.792 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -8.242 5.456 -6.455 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -10.414 5.585 -6.362 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.332 6.208 -6.774 1.00 10.00 N ATOM 0 H HIS A 105 -5.807 4.031 -3.920 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.610 3.426 -3.228 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.982 3.101 -5.794 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.499 2.262 -5.538 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -7.211 5.704 -6.659 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -11.428 5.939 -6.473 1.00 10.00 H new ATOM 0 HE2 HIS A 105 -9.312 7.108 -7.254 1.00 10.00 H new ATOM 1571 N MET A 106 -7.770 1.269 -2.315 1.00 10.00 N ATOM 1572 CA MET A 106 -7.383 -0.072 -1.932 1.00 10.00 C ATOM 1573 C MET A 106 -8.195 -1.071 -2.732 1.00 10.00 C ATOM 1574 O MET A 106 -9.420 -1.013 -2.738 1.00 10.00 O ATOM 1575 CB MET A 106 -7.519 -0.318 -0.427 1.00 10.00 C ATOM 1576 CG MET A 106 -6.886 -1.630 0.020 1.00 10.00 C ATOM 1577 SD MET A 106 -6.850 -1.844 1.799 1.00 10.00 S ATOM 1578 CE MET A 106 -5.967 -3.405 1.954 1.00 10.00 C ATOM 0 H MET A 106 -8.463 1.715 -1.714 1.00 10.00 H new ATOM 0 HA MET A 106 -6.324 -0.199 -2.158 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.054 0.506 0.114 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.575 -0.320 -0.159 1.00 10.00 H new ATOM 0 HG2 MET A 106 -7.436 -2.459 -0.426 1.00 10.00 H new ATOM 0 HG3 MET A 106 -5.867 -1.681 -0.364 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.870 -3.665 3.008 1.00 10.00 H new ATOM 0 HE2 MET A 106 -6.520 -4.189 1.437 1.00 10.00 H new ATOM 0 HE3 MET A 106 -4.976 -3.308 1.511 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.517 -1.953 -3.444 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.203 -2.910 -4.300 1.00 10.00 C ATOM 1590 C GLN A 107 -8.627 -4.134 -3.526 1.00 10.00 C ATOM 1591 O GLN A 107 -9.626 -4.771 -3.864 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.379 -3.257 -5.540 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.093 -2.045 -6.432 1.00 10.00 C ATOM 1594 CD GLN A 107 -8.363 -1.367 -6.931 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -8.887 -1.708 -7.979 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -8.862 -0.417 -6.187 1.00 10.00 N ATOM 0 H GLN A 107 -6.500 -2.028 -3.449 1.00 10.00 H new ATOM 0 HA GLN A 107 -9.114 -2.434 -4.662 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -6.434 -3.701 -5.228 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -7.909 -4.011 -6.122 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.496 -1.323 -5.876 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -6.496 -2.362 -7.287 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -8.400 -0.155 -5.316 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -9.714 0.063 -6.477 1.00 10.00 H new