USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 MET CE :methyl 165:sc= -3.16! (180deg=-4.66!) USER MOD Set 1.2: A 80 GLN : amide:sc= -7.21! C(o=-10!,f=-12!) USER MOD Set 2.1: A 51 THR OG1 : rot 125:sc= -0.313 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 167:sc= 0.661 (180deg=0.498) USER MOD Set 3.1: A 21 TYR OH : rot 59:sc= 1.26 USER MOD Set 3.2: A 85 HIS : no HD1:sc= -6.82! C(o=-5.6!,f=-9.6!) USER MOD Set 4.1: A 18 SER OG : rot -87:sc= -0.452 USER MOD Set 4.2: A 20 CYS SG : rot -58:sc= 0.336 USER MOD Single : A 19 CYS SG : rot -121:sc= -1.15 USER MOD Single : A 23 SER OG : rot 151:sc= 0.217 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -78:sc= 1.22 USER MOD Single : A 42 GLN : amide:sc= -2.92! K(o=-2.9!,f=-1.1) USER MOD Single : A 44 HIS : no HD1:sc= 0.841 K(o=0.84,f=-5.7!) USER MOD Single : A 45 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.62) USER MOD Single : A 49 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -17:sc= 0.791 USER MOD Single : A 58 GLN : amide:sc= -0.0283 K(o=-0.028,f=-1.1) USER MOD Single : A 63 GLN : amide:sc= -0.235 K(o=-0.23,f=-4.2!) USER MOD Single : A 68 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.059) USER MOD Single : A 77 SER OG : rot 75:sc= 0.595 USER MOD Single : A 78 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.15) USER MOD Single : A 86 SER OG : rot 137:sc= -0.566 USER MOD Single : A 87 ASN : amide:sc= 0.526 X(o=0.53,f=0.1) USER MOD Single : A 95 SER OG : rot 21:sc= 0.489 USER MOD Single : A 105 HIS : no HE2:sc= 0.246 K(o=0.25,f=-0.97) USER MOD Single : A 106 MET CE :methyl -120:sc=-0.00461 (180deg=-1.62) USER MOD Single : A 107 GLN : amide:sc= -1.77! C(o=-1.8!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.909 18.762 -6.693 1.00 10.00 N ATOM 139 CA ASP A 15 7.325 18.052 -5.568 1.00 10.00 C ATOM 140 C ASP A 15 6.421 16.940 -5.184 1.00 10.00 C ATOM 141 O ASP A 15 5.855 16.914 -4.103 1.00 10.00 O ATOM 142 CB ASP A 15 7.635 18.953 -4.396 1.00 10.00 C ATOM 143 CG ASP A 15 6.640 20.072 -4.160 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.529 19.814 -3.687 1.00 10.00 O ATOM 145 OD2 ASP A 15 6.977 21.245 -4.430 1.00 10.00 O ATOM 0 HA ASP A 15 8.259 17.578 -5.871 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.692 18.343 -3.495 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.621 19.392 -4.547 1.00 10.00 H new ATOM 150 N LEU A 16 6.240 16.073 -6.083 1.00 10.00 N ATOM 151 CA LEU A 16 5.644 14.842 -5.822 1.00 10.00 C ATOM 152 C LEU A 16 6.649 13.794 -6.053 1.00 10.00 C ATOM 153 O LEU A 16 7.657 14.001 -6.736 1.00 10.00 O ATOM 154 CB LEU A 16 4.373 14.559 -6.604 1.00 10.00 C ATOM 155 CG LEU A 16 3.192 15.492 -6.421 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.840 15.763 -4.969 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.342 16.739 -7.220 1.00 10.00 C ATOM 0 H LEU A 16 6.513 16.205 -7.057 1.00 10.00 H new ATOM 0 HA LEU A 16 5.312 14.860 -4.784 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.629 14.552 -7.663 1.00 10.00 H new ATOM 0 HB3 LEU A 16 4.043 13.552 -6.349 1.00 10.00 H new ATOM 0 HG LEU A 16 2.329 14.958 -6.819 1.00 10.00 H new ATOM 0 HD11 LEU A 16 1.986 16.438 -4.922 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.589 14.825 -4.474 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.693 16.221 -4.467 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.475 17.380 -7.061 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.244 17.265 -6.908 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.417 16.487 -8.278 1.00 10.00 H new ATOM 169 N VAL A 17 6.395 12.708 -5.474 1.00 10.00 N ATOM 170 CA VAL A 17 7.203 11.603 -5.464 1.00 10.00 C ATOM 171 C VAL A 17 6.279 10.399 -5.349 1.00 10.00 C ATOM 172 O VAL A 17 5.200 10.505 -4.780 1.00 10.00 O ATOM 173 CB VAL A 17 8.223 11.658 -4.281 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.815 10.336 -4.038 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.343 12.645 -4.532 1.00 10.00 C ATOM 0 H VAL A 17 5.533 12.566 -4.948 1.00 10.00 H new ATOM 0 HA VAL A 17 7.803 11.546 -6.372 1.00 10.00 H new ATOM 0 HB VAL A 17 7.658 11.985 -3.408 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.521 10.400 -3.210 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.027 9.625 -3.789 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.336 10.000 -4.935 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.025 12.646 -3.681 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.886 12.358 -5.432 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.926 13.643 -4.663 1.00 10.00 H new ATOM 185 N SER A 18 6.677 9.328 -5.911 1.00 10.00 N ATOM 186 CA SER A 18 5.922 8.134 -5.903 1.00 10.00 C ATOM 187 C SER A 18 6.818 6.982 -5.463 1.00 10.00 C ATOM 188 O SER A 18 7.788 6.629 -6.149 1.00 10.00 O ATOM 189 CB SER A 18 5.346 7.875 -7.306 1.00 10.00 C ATOM 190 OG SER A 18 4.437 6.786 -7.316 1.00 10.00 O ATOM 0 H SER A 18 7.565 9.251 -6.406 1.00 10.00 H new ATOM 0 HA SER A 18 5.090 8.222 -5.204 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.840 8.773 -7.661 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.161 7.673 -8.001 1.00 10.00 H new ATOM 0 HG SER A 18 4.930 5.950 -7.453 1.00 10.00 H new ATOM 196 N CYS A 19 6.539 6.461 -4.305 1.00 10.00 N ATOM 197 CA CYS A 19 7.209 5.290 -3.829 1.00 10.00 C ATOM 198 C CYS A 19 6.371 4.110 -4.241 1.00 10.00 C ATOM 199 O CYS A 19 5.181 4.066 -3.938 1.00 10.00 O ATOM 200 CB CYS A 19 7.392 5.334 -2.311 1.00 10.00 C ATOM 201 SG CYS A 19 8.434 6.686 -1.738 1.00 10.00 S ATOM 0 H CYS A 19 5.840 6.837 -3.664 1.00 10.00 H new ATOM 0 HA CYS A 19 8.210 5.220 -4.255 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.413 5.419 -1.840 1.00 10.00 H new ATOM 0 HB3 CYS A 19 7.825 4.390 -1.980 1.00 10.00 H new ATOM 0 HG CYS A 19 9.448 6.204 -1.083 1.00 10.00 H new ATOM 207 N CYS A 20 6.970 3.190 -4.938 1.00 10.00 N ATOM 208 CA CYS A 20 6.261 2.065 -5.502 1.00 10.00 C ATOM 209 C CYS A 20 6.863 0.819 -4.921 1.00 10.00 C ATOM 210 O CYS A 20 7.993 0.512 -5.233 1.00 10.00 O ATOM 211 CB CYS A 20 6.452 2.075 -7.023 1.00 10.00 C ATOM 212 SG CYS A 20 6.004 3.649 -7.796 1.00 10.00 S ATOM 0 H CYS A 20 7.971 3.193 -5.136 1.00 10.00 H new ATOM 0 HA CYS A 20 5.195 2.112 -5.277 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.494 1.850 -7.252 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.850 1.279 -7.462 1.00 10.00 H new ATOM 0 HG CYS A 20 4.765 3.930 -7.522 1.00 10.00 H new ATOM 218 N TYR A 21 6.150 0.105 -4.064 1.00 10.00 N ATOM 219 CA TYR A 21 6.794 -0.984 -3.391 1.00 10.00 C ATOM 220 C TYR A 21 6.193 -2.324 -3.717 1.00 10.00 C ATOM 221 O TYR A 21 5.018 -2.428 -4.108 1.00 10.00 O ATOM 222 CB TYR A 21 6.835 -0.763 -1.875 1.00 10.00 C ATOM 223 CG TYR A 21 5.627 -1.010 -1.003 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.108 -2.286 -0.773 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.076 0.043 -0.315 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.069 -2.475 0.104 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.048 -0.138 0.545 1.00 10.00 C ATOM 228 CZ TYR A 21 3.548 -1.400 0.754 1.00 10.00 C ATOM 229 OH TYR A 21 2.549 -1.593 1.632 1.00 10.00 O ATOM 0 H TYR A 21 5.169 0.258 -3.832 1.00 10.00 H new ATOM 0 HA TYR A 21 7.817 -1.001 -3.768 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.638 -1.389 -1.486 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.133 0.273 -1.715 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.529 -3.135 -1.292 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.472 1.037 -0.464 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.671 -3.464 0.276 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.622 0.707 1.066 1.00 10.00 H new ATOM 0 HH TYR A 21 2.847 -2.205 2.337 1.00 10.00 H new ATOM 239 N ARG A 22 6.985 -3.336 -3.504 1.00 10.00 N ATOM 240 CA ARG A 22 6.596 -4.704 -3.711 1.00 10.00 C ATOM 241 C ARG A 22 6.699 -5.412 -2.358 1.00 10.00 C ATOM 242 O ARG A 22 7.742 -5.379 -1.716 1.00 10.00 O ATOM 243 CB ARG A 22 7.556 -5.338 -4.752 1.00 10.00 C ATOM 244 CG ARG A 22 7.164 -6.715 -5.327 1.00 10.00 C ATOM 245 CD ARG A 22 7.221 -7.865 -4.319 1.00 10.00 C ATOM 246 NE ARG A 22 8.569 -8.080 -3.742 1.00 10.00 N ATOM 247 CZ ARG A 22 9.333 -9.176 -3.976 1.00 10.00 C ATOM 248 NH1 ARG A 22 8.965 -10.060 -4.890 1.00 10.00 N ATOM 249 NH2 ARG A 22 10.446 -9.372 -3.289 1.00 10.00 N ATOM 0 H ARG A 22 7.944 -3.231 -3.173 1.00 10.00 H new ATOM 0 HA ARG A 22 5.578 -4.790 -4.091 1.00 10.00 H new ATOM 0 HB2 ARG A 22 7.659 -4.642 -5.584 1.00 10.00 H new ATOM 0 HB3 ARG A 22 8.539 -5.432 -4.291 1.00 10.00 H new ATOM 0 HG2 ARG A 22 6.153 -6.652 -5.730 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.825 -6.947 -6.162 1.00 10.00 H new ATOM 0 HD2 ARG A 22 6.517 -7.665 -3.512 1.00 10.00 H new ATOM 0 HD3 ARG A 22 6.893 -8.782 -4.808 1.00 10.00 H new ATOM 0 HE ARG A 22 8.947 -7.357 -3.129 1.00 10.00 H new ATOM 0 HH11 ARG A 22 8.105 -9.918 -5.420 1.00 10.00 H new ATOM 0 HH12 ARG A 22 9.541 -10.883 -5.064 1.00 10.00 H new ATOM 0 HH21 ARG A 22 10.733 -8.697 -2.580 1.00 10.00 H new ATOM 0 HH22 ARG A 22 11.017 -10.198 -3.468 1.00 10.00 H new ATOM 263 N SER A 23 5.645 -6.027 -1.916 1.00 10.00 N ATOM 264 CA SER A 23 5.692 -6.729 -0.676 1.00 10.00 C ATOM 265 C SER A 23 5.014 -8.080 -0.820 1.00 10.00 C ATOM 266 O SER A 23 4.369 -8.337 -1.820 1.00 10.00 O ATOM 267 CB SER A 23 5.090 -5.910 0.422 1.00 10.00 C ATOM 268 OG SER A 23 5.345 -6.484 1.689 1.00 10.00 O ATOM 0 H SER A 23 4.745 -6.056 -2.396 1.00 10.00 H new ATOM 0 HA SER A 23 6.732 -6.906 -0.404 1.00 10.00 H new ATOM 0 HB2 SER A 23 5.497 -4.899 0.390 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.014 -5.826 0.268 1.00 10.00 H new ATOM 0 HG SER A 23 5.373 -5.778 2.368 1.00 10.00 H new ATOM 274 N LEU A 24 5.169 -8.944 0.162 1.00 10.00 N ATOM 275 CA LEU A 24 4.641 -10.325 0.044 1.00 10.00 C ATOM 276 C LEU A 24 3.722 -10.722 1.193 1.00 10.00 C ATOM 277 O LEU A 24 3.773 -11.863 1.611 1.00 10.00 O ATOM 278 CB LEU A 24 5.776 -11.387 -0.080 1.00 10.00 C ATOM 279 CG LEU A 24 6.755 -11.319 -1.272 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.031 -11.271 -2.600 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.728 -10.175 -1.136 1.00 10.00 C ATOM 0 H LEU A 24 5.643 -8.739 1.041 1.00 10.00 H new ATOM 0 HA LEU A 24 4.055 -10.312 -0.875 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.369 -11.339 0.833 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.303 -12.369 -0.101 1.00 10.00 H new ATOM 0 HG LEU A 24 7.333 -12.243 -1.253 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.759 -11.224 -3.410 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.419 -12.166 -2.714 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.392 -10.388 -2.634 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.398 -10.163 -1.995 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.179 -9.234 -1.091 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.310 -10.299 -0.223 1.00 10.00 H new ATOM 293 N ALA A 25 2.890 -9.766 1.655 1.00 10.00 N ATOM 294 CA ALA A 25 1.882 -9.916 2.777 1.00 10.00 C ATOM 295 C ALA A 25 2.189 -11.029 3.781 1.00 10.00 C ATOM 296 O ALA A 25 1.943 -12.199 3.494 1.00 10.00 O ATOM 297 CB ALA A 25 0.486 -10.077 2.216 1.00 10.00 C ATOM 0 H ALA A 25 2.885 -8.827 1.257 1.00 10.00 H new ATOM 0 HA ALA A 25 1.954 -8.991 3.349 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.225 -10.183 3.035 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.228 -9.199 1.624 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.448 -10.965 1.585 1.00 10.00 H new ATOM 303 N ALA A 26 2.667 -10.677 4.972 1.00 10.00 N ATOM 304 CA ALA A 26 3.121 -11.694 5.876 1.00 10.00 C ATOM 305 C ALA A 26 1.959 -12.548 6.373 1.00 10.00 C ATOM 306 O ALA A 26 0.860 -12.059 6.563 1.00 10.00 O ATOM 307 CB ALA A 26 3.862 -11.079 7.037 1.00 10.00 C ATOM 0 H ALA A 26 2.743 -9.719 5.314 1.00 10.00 H new ATOM 0 HA ALA A 26 3.807 -12.344 5.333 1.00 10.00 H new ATOM 0 HB1 ALA A 26 4.199 -11.866 7.712 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.725 -10.526 6.666 1.00 10.00 H new ATOM 0 HB3 ALA A 26 3.199 -10.400 7.573 1.00 10.00 H new ATOM 313 N PRO A 27 2.194 -13.841 6.582 1.00 10.00 N ATOM 314 CA PRO A 27 1.182 -14.815 7.120 1.00 10.00 C ATOM 315 C PRO A 27 0.686 -14.458 8.532 1.00 10.00 C ATOM 316 O PRO A 27 -0.211 -15.099 9.092 1.00 10.00 O ATOM 317 CB PRO A 27 1.995 -16.103 7.177 1.00 10.00 C ATOM 318 CG PRO A 27 3.387 -15.594 7.266 1.00 10.00 C ATOM 319 CD PRO A 27 3.444 -14.534 6.270 1.00 10.00 C ATOM 0 HA PRO A 27 0.279 -14.850 6.510 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.729 -16.714 8.040 1.00 10.00 H new ATOM 0 HB3 PRO A 27 1.843 -16.719 6.291 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.610 -15.215 8.264 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.113 -16.379 7.054 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.318 -13.894 6.389 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.467 -14.918 5.250 1.00 10.00 H new ATOM 327 N ASP A 28 1.303 -13.467 9.077 1.00 10.00 N ATOM 328 CA ASP A 28 1.016 -12.925 10.387 1.00 10.00 C ATOM 329 C ASP A 28 -0.109 -11.909 10.287 1.00 10.00 C ATOM 330 O ASP A 28 -0.657 -11.454 11.293 1.00 10.00 O ATOM 331 CB ASP A 28 2.276 -12.255 10.961 1.00 10.00 C ATOM 332 CG ASP A 28 3.354 -13.235 11.385 1.00 10.00 C ATOM 333 OD1 ASP A 28 4.181 -13.671 10.534 1.00 10.00 O ATOM 334 OD2 ASP A 28 3.399 -13.599 12.586 1.00 10.00 O ATOM 0 H ASP A 28 2.064 -12.978 8.607 1.00 10.00 H new ATOM 0 HA ASP A 28 0.709 -13.734 11.050 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.688 -11.578 10.213 1.00 10.00 H new ATOM 0 HB3 ASP A 28 1.993 -11.647 11.820 1.00 10.00 H new ATOM 339 N LEU A 29 -0.433 -11.554 9.066 1.00 10.00 N ATOM 340 CA LEU A 29 -1.483 -10.621 8.773 1.00 10.00 C ATOM 341 C LEU A 29 -2.834 -11.206 8.943 1.00 10.00 C ATOM 342 O LEU A 29 -3.080 -12.372 8.613 1.00 10.00 O ATOM 343 CB LEU A 29 -1.381 -10.126 7.349 1.00 10.00 C ATOM 344 CG LEU A 29 -0.336 -9.094 7.073 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.232 -8.864 5.577 1.00 10.00 C ATOM 346 CD2 LEU A 29 -0.697 -7.803 7.778 1.00 10.00 C ATOM 0 H LEU A 29 0.038 -11.915 8.236 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.355 -9.804 9.483 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.192 -10.983 6.703 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.349 -9.716 7.060 1.00 10.00 H new ATOM 0 HG LEU A 29 0.628 -9.441 7.445 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.530 -8.111 5.377 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.041 -9.797 5.084 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.192 -8.518 5.194 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.066 -7.052 7.575 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -1.661 -7.447 7.415 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.756 -7.979 8.852 1.00 10.00 H new ATOM 358 N THR A 30 -3.696 -10.405 9.439 1.00 10.00 N ATOM 359 CA THR A 30 -5.055 -10.712 9.518 1.00 10.00 C ATOM 360 C THR A 30 -5.810 -9.759 8.698 1.00 10.00 C ATOM 361 O THR A 30 -5.354 -8.648 8.470 1.00 10.00 O ATOM 362 CB THR A 30 -5.570 -10.616 10.923 1.00 10.00 C ATOM 363 OG1 THR A 30 -5.030 -9.468 11.603 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.297 -11.861 11.654 1.00 10.00 C ATOM 0 H THR A 30 -3.458 -9.486 9.813 1.00 10.00 H new ATOM 0 HA THR A 30 -5.182 -11.736 9.166 1.00 10.00 H new ATOM 0 HB THR A 30 -6.651 -10.480 10.884 1.00 10.00 H new ATOM 0 HG1 THR A 30 -5.385 -9.431 12.516 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.677 -11.776 12.672 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.790 -12.693 11.151 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.222 -12.039 11.681 1.00 10.00 H new ATOM 372 N LEU A 31 -6.962 -10.170 8.272 1.00 10.00 N ATOM 373 CA LEU A 31 -7.884 -9.327 7.568 1.00 10.00 C ATOM 374 C LEU A 31 -8.166 -8.124 8.408 1.00 10.00 C ATOM 375 O LEU A 31 -8.241 -7.029 7.895 1.00 10.00 O ATOM 376 CB LEU A 31 -9.155 -10.065 7.408 1.00 10.00 C ATOM 377 CG LEU A 31 -10.291 -9.377 6.648 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.951 -9.169 5.183 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.568 -10.168 6.806 1.00 10.00 C ATOM 0 H LEU A 31 -7.299 -11.124 8.406 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.469 -9.039 6.602 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.935 -11.005 6.902 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.523 -10.318 8.403 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.434 -8.386 7.079 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.785 -8.678 4.682 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.061 -8.546 5.101 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.763 -10.134 4.713 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.372 -9.673 6.262 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.426 -11.172 6.407 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.829 -10.231 7.862 1.00 10.00 H new ATOM 391 N ARG A 32 -8.260 -8.315 9.730 1.00 10.00 N ATOM 392 CA ARG A 32 -8.567 -7.180 10.555 1.00 10.00 C ATOM 393 C ARG A 32 -7.424 -6.180 10.510 1.00 10.00 C ATOM 394 O ARG A 32 -7.652 -4.972 10.535 1.00 10.00 O ATOM 395 CB ARG A 32 -8.925 -7.543 11.989 1.00 10.00 C ATOM 396 CG ARG A 32 -9.340 -6.316 12.786 1.00 10.00 C ATOM 397 CD ARG A 32 -10.621 -5.696 12.233 1.00 10.00 C ATOM 398 NE ARG A 32 -10.865 -4.374 12.810 1.00 10.00 N ATOM 399 CZ ARG A 32 -11.393 -3.350 12.131 1.00 10.00 C ATOM 400 NH1 ARG A 32 -11.887 -3.543 10.917 1.00 10.00 N ATOM 401 NH2 ARG A 32 -11.469 -2.146 12.680 1.00 10.00 N ATOM 0 H ARG A 32 -8.133 -9.203 10.216 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.466 -6.724 10.139 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.737 -8.271 11.990 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.070 -8.019 12.470 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.490 -6.592 13.830 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.538 -5.578 12.763 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.549 -5.614 11.148 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.466 -6.350 12.448 1.00 10.00 H new ATOM 0 HE ARG A 32 -10.618 -4.224 13.788 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -11.865 -4.473 10.499 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -12.290 -2.761 10.400 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -11.123 -1.995 13.628 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -11.873 -1.371 12.155 1.00 10.00 H new ATOM 415 N ASP A 33 -6.210 -6.689 10.374 1.00 10.00 N ATOM 416 CA ASP A 33 -5.049 -5.836 10.273 1.00 10.00 C ATOM 417 C ASP A 33 -5.145 -5.046 8.969 1.00 10.00 C ATOM 418 O ASP A 33 -4.955 -3.843 8.986 1.00 10.00 O ATOM 419 CB ASP A 33 -3.731 -6.641 10.343 1.00 10.00 C ATOM 420 CG ASP A 33 -2.552 -5.825 10.873 1.00 10.00 C ATOM 421 OD1 ASP A 33 -2.220 -4.790 10.314 1.00 10.00 O ATOM 422 OD2 ASP A 33 -1.943 -6.227 11.895 1.00 10.00 O ATOM 0 H ASP A 33 -6.009 -7.688 10.332 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.033 -5.153 11.122 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.878 -7.511 10.983 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.488 -7.014 9.348 1.00 10.00 H new ATOM 427 N LEU A 34 -5.569 -5.707 7.836 1.00 10.00 N ATOM 428 CA LEU A 34 -5.695 -4.949 6.541 1.00 10.00 C ATOM 429 C LEU A 34 -6.755 -3.898 6.644 1.00 10.00 C ATOM 430 O LEU A 34 -6.588 -2.780 6.179 1.00 10.00 O ATOM 431 CB LEU A 34 -6.040 -5.817 5.305 1.00 10.00 C ATOM 432 CG LEU A 34 -4.986 -6.765 4.749 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.680 -6.055 4.460 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.792 -7.907 5.659 1.00 10.00 C ATOM 0 H LEU A 34 -5.814 -6.696 7.791 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.702 -4.526 6.388 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.918 -6.412 5.556 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.332 -5.142 4.501 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.350 -7.146 3.795 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.957 -6.769 4.065 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.849 -5.267 3.727 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.292 -5.618 5.380 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.036 -8.576 5.248 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.465 -7.544 6.633 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.732 -8.447 5.770 1.00 10.00 H new ATOM 446 N LEU A 35 -7.835 -4.269 7.261 1.00 10.00 N ATOM 447 CA LEU A 35 -9.018 -3.419 7.394 1.00 10.00 C ATOM 448 C LEU A 35 -8.759 -2.245 8.304 1.00 10.00 C ATOM 449 O LEU A 35 -9.379 -1.180 8.192 1.00 10.00 O ATOM 450 CB LEU A 35 -10.222 -4.260 7.836 1.00 10.00 C ATOM 451 CG LEU A 35 -10.930 -5.080 6.726 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.822 -4.166 5.916 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.910 -5.728 5.782 1.00 10.00 C ATOM 0 H LEU A 35 -7.938 -5.184 7.700 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.256 -2.992 6.420 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.891 -4.949 8.613 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.956 -3.595 8.291 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.516 -5.863 7.206 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.320 -4.741 5.136 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.570 -3.716 6.568 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.220 -3.381 5.459 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.435 -6.296 5.014 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.307 -4.952 5.311 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.263 -6.397 6.349 1.00 10.00 H new ATOM 465 N ASP A 36 -7.860 -2.436 9.195 1.00 10.00 N ATOM 466 CA ASP A 36 -7.385 -1.340 10.024 1.00 10.00 C ATOM 467 C ASP A 36 -6.391 -0.478 9.238 1.00 10.00 C ATOM 468 O ASP A 36 -6.509 0.770 9.232 1.00 10.00 O ATOM 469 CB ASP A 36 -6.785 -1.859 11.318 1.00 10.00 C ATOM 470 CG ASP A 36 -6.086 -0.805 12.129 1.00 10.00 C ATOM 471 OD1 ASP A 36 -6.757 0.125 12.658 1.00 10.00 O ATOM 472 OD2 ASP A 36 -4.866 -0.885 12.266 1.00 10.00 O ATOM 0 H ASP A 36 -7.423 -3.337 9.387 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.232 -0.710 10.296 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -7.576 -2.303 11.922 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -6.077 -2.654 11.086 1.00 10.00 H new ATOM 477 N ILE A 37 -5.457 -1.146 8.542 1.00 10.00 N ATOM 478 CA ILE A 37 -4.464 -0.499 7.662 1.00 10.00 C ATOM 479 C ILE A 37 -5.154 0.443 6.673 1.00 10.00 C ATOM 480 O ILE A 37 -4.824 1.622 6.616 1.00 10.00 O ATOM 481 CB ILE A 37 -3.629 -1.561 6.849 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.603 -2.285 7.726 1.00 10.00 C ATOM 483 CG2 ILE A 37 -2.921 -0.929 5.639 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.213 -3.658 7.191 1.00 10.00 C ATOM 0 H ILE A 37 -5.367 -2.162 8.573 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.789 0.065 8.305 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.349 -2.295 6.488 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.708 -1.668 7.810 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.009 -2.397 8.731 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.357 -1.695 5.107 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.663 -0.494 4.970 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.240 -0.150 5.982 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.484 -4.115 7.860 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.099 -4.291 7.133 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.777 -3.551 6.198 1.00 10.00 H new ATOM 496 N VAL A 38 -6.115 -0.084 5.919 1.00 10.00 N ATOM 497 CA VAL A 38 -6.825 0.690 4.905 1.00 10.00 C ATOM 498 C VAL A 38 -7.430 1.967 5.479 1.00 10.00 C ATOM 499 O VAL A 38 -7.160 3.066 4.996 1.00 10.00 O ATOM 500 CB VAL A 38 -7.890 -0.169 4.114 1.00 10.00 C ATOM 501 CG1 VAL A 38 -8.843 -0.886 5.021 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.654 0.666 3.112 1.00 10.00 C ATOM 0 H VAL A 38 -6.422 -1.054 5.993 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.076 0.993 4.174 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.319 -0.923 3.573 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.552 -1.460 4.424 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.287 -1.561 5.672 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.384 -0.160 5.628 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.376 0.038 2.590 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.179 1.467 3.632 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -7.959 1.096 2.391 1.00 10.00 H new ATOM 512 N GLU A 39 -8.148 1.829 6.561 1.00 10.00 N ATOM 513 CA GLU A 39 -8.804 2.940 7.188 1.00 10.00 C ATOM 514 C GLU A 39 -7.832 4.010 7.685 1.00 10.00 C ATOM 515 O GLU A 39 -8.031 5.203 7.410 1.00 10.00 O ATOM 516 CB GLU A 39 -9.744 2.448 8.270 1.00 10.00 C ATOM 517 CG GLU A 39 -10.979 1.768 7.703 1.00 10.00 C ATOM 518 CD GLU A 39 -11.814 2.703 6.851 1.00 10.00 C ATOM 519 OE1 GLU A 39 -12.598 3.481 7.408 1.00 10.00 O ATOM 520 OE2 GLU A 39 -11.717 2.670 5.593 1.00 10.00 O ATOM 0 H GLU A 39 -8.294 0.937 7.033 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.401 3.444 6.428 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.214 1.750 8.917 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -10.050 3.290 8.892 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.675 0.909 7.104 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -11.588 1.386 8.522 1.00 10.00 H new ATOM 527 N THR A 40 -6.763 3.603 8.342 1.00 10.00 N ATOM 528 CA THR A 40 -5.819 4.573 8.863 1.00 10.00 C ATOM 529 C THR A 40 -4.948 5.202 7.732 1.00 10.00 C ATOM 530 O THR A 40 -4.620 6.395 7.779 1.00 10.00 O ATOM 531 CB THR A 40 -4.943 3.984 10.026 1.00 10.00 C ATOM 532 OG1 THR A 40 -4.139 5.007 10.639 1.00 10.00 O ATOM 533 CG2 THR A 40 -4.034 2.879 9.539 1.00 10.00 C ATOM 0 H THR A 40 -6.529 2.627 8.525 1.00 10.00 H new ATOM 0 HA THR A 40 -6.406 5.382 9.297 1.00 10.00 H new ATOM 0 HB THR A 40 -5.638 3.575 10.760 1.00 10.00 H new ATOM 0 HG1 THR A 40 -3.605 4.614 11.361 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.445 2.498 10.373 1.00 10.00 H new ATOM 0 HG22 THR A 40 -4.635 2.072 9.121 1.00 10.00 H new ATOM 0 HG23 THR A 40 -3.366 3.269 8.771 1.00 10.00 H new ATOM 541 N SER A 41 -4.639 4.427 6.693 1.00 10.00 N ATOM 542 CA SER A 41 -3.798 4.914 5.614 1.00 10.00 C ATOM 543 C SER A 41 -4.496 5.974 4.769 1.00 10.00 C ATOM 544 O SER A 41 -3.886 6.960 4.413 1.00 10.00 O ATOM 545 CB SER A 41 -3.267 3.764 4.767 1.00 10.00 C ATOM 546 OG SER A 41 -4.302 2.917 4.355 1.00 10.00 O ATOM 0 H SER A 41 -4.959 3.465 6.581 1.00 10.00 H new ATOM 0 HA SER A 41 -2.940 5.406 6.071 1.00 10.00 H new ATOM 0 HB2 SER A 41 -2.750 4.161 3.894 1.00 10.00 H new ATOM 0 HB3 SER A 41 -2.535 3.195 5.340 1.00 10.00 H new ATOM 0 HG SER A 41 -4.563 2.334 5.098 1.00 10.00 H new ATOM 552 N GLN A 42 -5.786 5.772 4.479 1.00 10.00 N ATOM 553 CA GLN A 42 -6.592 6.766 3.732 1.00 10.00 C ATOM 554 C GLN A 42 -6.593 8.074 4.440 1.00 10.00 C ATOM 555 O GLN A 42 -6.398 9.120 3.839 1.00 10.00 O ATOM 556 CB GLN A 42 -8.023 6.310 3.640 1.00 10.00 C ATOM 557 CG GLN A 42 -8.201 5.134 2.759 1.00 10.00 C ATOM 558 CD GLN A 42 -9.403 4.313 3.088 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.005 3.698 2.207 1.00 10.00 O ATOM 560 NE2 GLN A 42 -9.753 4.260 4.351 1.00 10.00 N ATOM 0 H GLN A 42 -6.301 4.933 4.746 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.152 6.868 2.740 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.386 6.067 4.639 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.637 7.131 3.269 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.276 5.473 1.726 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.313 4.505 2.824 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.226 4.786 5.049 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.552 3.693 4.635 1.00 10.00 H new ATOM 569 N ALA A 43 -6.789 7.994 5.727 1.00 10.00 N ATOM 570 CA ALA A 43 -6.885 9.141 6.579 1.00 10.00 C ATOM 571 C ALA A 43 -5.565 9.907 6.606 1.00 10.00 C ATOM 572 O ALA A 43 -5.535 11.140 6.498 1.00 10.00 O ATOM 573 CB ALA A 43 -7.322 8.671 7.948 1.00 10.00 C ATOM 0 H ALA A 43 -6.888 7.107 6.222 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.626 9.845 6.200 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.403 9.527 8.618 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.291 8.177 7.871 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.588 7.969 8.343 1.00 10.00 H new ATOM 579 N HIS A 44 -4.480 9.173 6.680 1.00 10.00 N ATOM 580 CA HIS A 44 -3.160 9.765 6.667 1.00 10.00 C ATOM 581 C HIS A 44 -2.853 10.310 5.270 1.00 10.00 C ATOM 582 O HIS A 44 -2.358 11.404 5.146 1.00 10.00 O ATOM 583 CB HIS A 44 -2.117 8.722 7.079 1.00 10.00 C ATOM 584 CG HIS A 44 -0.722 9.238 7.368 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.260 8.447 7.905 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.139 10.443 7.160 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.363 9.121 8.004 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.155 10.330 7.565 1.00 10.00 N ATOM 0 H HIS A 44 -4.485 8.155 6.750 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.125 10.589 7.379 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.482 8.208 7.968 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.048 7.977 6.286 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.611 11.324 6.751 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.299 8.743 8.387 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.852 11.074 7.530 1.00 10.00 H new ATOM 597 N ASN A 45 -3.165 9.544 4.240 1.00 10.00 N ATOM 598 CA ASN A 45 -2.928 9.957 2.847 1.00 10.00 C ATOM 599 C ASN A 45 -3.703 11.183 2.471 1.00 10.00 C ATOM 600 O ASN A 45 -3.163 12.075 1.831 1.00 10.00 O ATOM 601 CB ASN A 45 -3.181 8.830 1.834 1.00 10.00 C ATOM 602 CG ASN A 45 -2.002 7.891 1.699 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.241 7.709 2.623 1.00 10.00 O ATOM 604 ND2 ASN A 45 -1.828 7.317 0.545 1.00 10.00 N ATOM 0 H ASN A 45 -3.588 8.621 4.333 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.867 10.204 2.802 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.059 8.262 2.140 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.407 9.266 0.861 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.033 6.694 0.400 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.486 7.490 -0.215 1.00 10.00 H new ATOM 611 N ALA A 46 -4.953 11.252 2.907 1.00 10.00 N ATOM 612 CA ALA A 46 -5.790 12.417 2.661 1.00 10.00 C ATOM 613 C ALA A 46 -5.126 13.655 3.241 1.00 10.00 C ATOM 614 O ALA A 46 -5.035 14.702 2.581 1.00 10.00 O ATOM 615 CB ALA A 46 -7.164 12.225 3.274 1.00 10.00 C ATOM 0 H ALA A 46 -5.412 10.510 3.436 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.910 12.544 1.585 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.775 13.106 3.080 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.640 11.349 2.833 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.066 12.082 4.350 1.00 10.00 H new ATOM 621 N ARG A 47 -4.615 13.514 4.457 1.00 10.00 N ATOM 622 CA ARG A 47 -3.930 14.599 5.139 1.00 10.00 C ATOM 623 C ARG A 47 -2.595 14.891 4.477 1.00 10.00 C ATOM 624 O ARG A 47 -2.279 16.047 4.153 1.00 10.00 O ATOM 625 CB ARG A 47 -3.722 14.246 6.627 1.00 10.00 C ATOM 626 CG ARG A 47 -3.146 15.369 7.532 1.00 10.00 C ATOM 627 CD ARG A 47 -1.618 15.504 7.412 1.00 10.00 C ATOM 628 NE ARG A 47 -1.097 16.713 8.064 1.00 10.00 N ATOM 629 CZ ARG A 47 0.044 17.339 7.715 1.00 10.00 C ATOM 630 NH1 ARG A 47 0.943 16.718 6.934 1.00 10.00 N ATOM 631 NH2 ARG A 47 0.323 18.534 8.224 1.00 10.00 N ATOM 0 H ARG A 47 -4.664 12.648 4.994 1.00 10.00 H new ATOM 0 HA ARG A 47 -4.550 15.493 5.072 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -4.681 13.933 7.040 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.054 13.386 6.684 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -3.612 16.318 7.267 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -3.408 15.164 8.570 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -1.145 14.627 7.854 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -1.341 15.518 6.358 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.637 17.106 8.835 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.763 15.770 6.603 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.806 17.194 6.671 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -0.326 18.974 8.877 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.186 19.011 7.962 1.00 10.00 H new ATOM 645 N ALA A 48 -1.810 13.854 4.278 1.00 10.00 N ATOM 646 CA ALA A 48 -0.476 14.015 3.776 1.00 10.00 C ATOM 647 C ALA A 48 -0.425 14.371 2.286 1.00 10.00 C ATOM 648 O ALA A 48 0.642 14.685 1.774 1.00 10.00 O ATOM 649 CB ALA A 48 0.395 12.815 4.105 1.00 10.00 C ATOM 0 H ALA A 48 -2.081 12.888 4.460 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.060 14.877 4.298 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.398 12.974 3.709 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.448 12.689 5.186 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.035 11.919 3.656 1.00 10.00 H new ATOM 655 N GLN A 49 -1.606 14.342 1.616 1.00 10.00 N ATOM 656 CA GLN A 49 -1.784 14.737 0.176 1.00 10.00 C ATOM 657 C GLN A 49 -1.282 13.639 -0.761 1.00 10.00 C ATOM 658 O GLN A 49 -0.960 13.862 -1.958 1.00 10.00 O ATOM 659 CB GLN A 49 -1.116 16.090 -0.088 1.00 10.00 C ATOM 660 CG GLN A 49 -1.656 17.150 0.800 1.00 10.00 C ATOM 661 CD GLN A 49 -0.567 17.969 1.472 1.00 10.00 C ATOM 662 OE1 GLN A 49 -0.114 18.982 0.946 1.00 10.00 O ATOM 663 NE2 GLN A 49 -0.169 17.548 2.655 1.00 10.00 N ATOM 0 H GLN A 49 -2.476 14.042 2.056 1.00 10.00 H new ATOM 0 HA GLN A 49 -2.848 14.855 -0.031 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.040 16.001 0.064 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.268 16.374 -1.129 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.296 17.813 0.218 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.283 16.692 1.565 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -0.571 16.701 3.057 1.00 10.00 H new ATOM 0 HE22 GLN A 49 0.541 18.069 3.169 1.00 10.00 H new ATOM 672 N LEU A 50 -1.274 12.461 -0.214 1.00 10.00 N ATOM 673 CA LEU A 50 -0.849 11.252 -0.881 1.00 10.00 C ATOM 674 C LEU A 50 -1.987 10.508 -1.553 1.00 10.00 C ATOM 675 O LEU A 50 -3.044 10.293 -0.972 1.00 10.00 O ATOM 676 CB LEU A 50 -0.119 10.329 0.078 1.00 10.00 C ATOM 677 CG LEU A 50 1.363 10.596 0.277 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.650 11.969 0.796 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.970 9.576 1.168 1.00 10.00 C ATOM 0 H LEU A 50 -1.574 12.302 0.748 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.166 11.569 -1.669 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.610 10.388 1.049 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.237 9.305 -0.277 1.00 10.00 H new ATOM 0 HG LEU A 50 1.817 10.529 -0.712 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.726 12.095 0.916 1.00 10.00 H new ATOM 0 HD12 LEU A 50 1.274 12.710 0.091 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.159 12.104 1.760 1.00 10.00 H new ATOM 0 HD21 LEU A 50 3.031 9.789 1.295 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.476 9.601 2.139 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.849 8.587 0.725 1.00 10.00 H new ATOM 691 N THR A 51 -1.756 10.135 -2.779 1.00 10.00 N ATOM 692 CA THR A 51 -2.680 9.407 -3.577 1.00 10.00 C ATOM 693 C THR A 51 -2.132 8.037 -3.878 1.00 10.00 C ATOM 694 O THR A 51 -0.920 7.854 -3.901 1.00 10.00 O ATOM 695 CB THR A 51 -2.998 10.228 -4.792 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.780 10.654 -5.441 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.723 11.431 -4.277 1.00 10.00 C ATOM 0 H THR A 51 -0.882 10.342 -3.262 1.00 10.00 H new ATOM 0 HA THR A 51 -3.619 9.232 -3.052 1.00 10.00 H new ATOM 0 HB THR A 51 -3.584 9.661 -5.516 1.00 10.00 H new ATOM 0 HG1 THR A 51 -1.791 10.367 -6.378 1.00 10.00 H new ATOM 0 HG21 THR A 51 -3.989 12.080 -5.111 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.629 11.116 -3.759 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.080 11.975 -3.585 1.00 10.00 H new ATOM 705 N GLY A 52 -2.992 7.068 -4.029 1.00 10.00 N ATOM 706 CA GLY A 52 -2.516 5.731 -4.056 1.00 10.00 C ATOM 707 C GLY A 52 -3.508 4.729 -4.520 1.00 10.00 C ATOM 708 O GLY A 52 -4.660 5.050 -4.854 1.00 10.00 O ATOM 0 H GLY A 52 -4.000 7.182 -4.132 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.642 5.684 -4.705 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.185 5.457 -3.054 1.00 10.00 H new ATOM 712 N ALA A 53 -3.048 3.536 -4.568 1.00 10.00 N ATOM 713 CA ALA A 53 -3.827 2.368 -4.882 1.00 10.00 C ATOM 714 C ALA A 53 -3.025 1.154 -4.486 1.00 10.00 C ATOM 715 O ALA A 53 -1.818 1.264 -4.207 1.00 10.00 O ATOM 716 CB ALA A 53 -4.277 2.314 -6.341 1.00 10.00 C ATOM 0 H ALA A 53 -2.068 3.321 -4.382 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.758 2.402 -4.315 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.859 1.408 -6.509 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.891 3.187 -6.565 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.402 2.309 -6.992 1.00 10.00 H new ATOM 722 N LEU A 54 -3.663 0.034 -4.452 1.00 10.00 N ATOM 723 CA LEU A 54 -3.047 -1.175 -4.001 1.00 10.00 C ATOM 724 C LEU A 54 -3.510 -2.351 -4.821 1.00 10.00 C ATOM 725 O LEU A 54 -4.698 -2.495 -5.108 1.00 10.00 O ATOM 726 CB LEU A 54 -3.354 -1.343 -2.490 1.00 10.00 C ATOM 727 CG LEU A 54 -3.066 -2.690 -1.801 1.00 10.00 C ATOM 728 CD1 LEU A 54 -2.894 -2.467 -0.331 1.00 10.00 C ATOM 729 CD2 LEU A 54 -4.238 -3.643 -1.995 1.00 10.00 C ATOM 0 H LEU A 54 -4.636 -0.073 -4.738 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.966 -1.125 -4.133 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -2.792 -0.577 -1.956 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -4.412 -1.122 -2.345 1.00 10.00 H new ATOM 0 HG LEU A 54 -2.163 -3.117 -2.238 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -2.690 -3.419 0.160 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -2.061 -1.785 -0.161 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.806 -2.035 0.081 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -4.021 -4.591 -1.503 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -5.138 -3.206 -1.561 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -4.395 -3.814 -3.060 1.00 10.00 H new ATOM 741 N PHE A 55 -2.577 -3.163 -5.204 1.00 10.00 N ATOM 742 CA PHE A 55 -2.837 -4.381 -5.900 1.00 10.00 C ATOM 743 C PHE A 55 -2.426 -5.524 -5.002 1.00 10.00 C ATOM 744 O PHE A 55 -1.256 -5.672 -4.657 1.00 10.00 O ATOM 745 CB PHE A 55 -2.074 -4.445 -7.229 1.00 10.00 C ATOM 746 CG PHE A 55 -2.494 -3.406 -8.226 1.00 10.00 C ATOM 747 CD1 PHE A 55 -3.539 -3.655 -9.094 1.00 10.00 C ATOM 748 CD2 PHE A 55 -1.848 -2.182 -8.294 1.00 10.00 C ATOM 749 CE1 PHE A 55 -3.934 -2.707 -10.010 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.239 -1.229 -9.211 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.285 -1.494 -10.069 1.00 10.00 C ATOM 0 H PHE A 55 -1.586 -2.992 -5.036 1.00 10.00 H new ATOM 0 HA PHE A 55 -3.898 -4.443 -6.141 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.008 -4.332 -7.030 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.213 -5.433 -7.669 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -4.052 -4.605 -9.053 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.029 -1.972 -7.622 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -4.753 -2.914 -10.683 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -1.728 -0.279 -9.257 1.00 10.00 H new ATOM 0 HZ PHE A 55 -3.596 -0.750 -10.788 1.00 10.00 H new ATOM 761 N TYR A 56 -3.378 -6.283 -4.590 1.00 10.00 N ATOM 762 CA TYR A 56 -3.142 -7.391 -3.710 1.00 10.00 C ATOM 763 C TYR A 56 -3.778 -8.613 -4.341 1.00 10.00 C ATOM 764 O TYR A 56 -4.987 -8.616 -4.596 1.00 10.00 O ATOM 765 CB TYR A 56 -3.790 -7.114 -2.317 1.00 10.00 C ATOM 766 CG TYR A 56 -3.688 -8.240 -1.284 1.00 10.00 C ATOM 767 CD1 TYR A 56 -4.404 -9.426 -1.427 1.00 10.00 C ATOM 768 CD2 TYR A 56 -2.878 -8.111 -0.172 1.00 10.00 C ATOM 769 CE1 TYR A 56 -4.298 -10.442 -0.513 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.770 -9.129 0.760 1.00 10.00 C ATOM 771 CZ TYR A 56 -3.482 -10.297 0.575 1.00 10.00 C ATOM 772 OH TYR A 56 -3.368 -11.329 1.474 1.00 10.00 O ATOM 0 H TYR A 56 -4.356 -6.158 -4.852 1.00 10.00 H new ATOM 0 HA TYR A 56 -2.073 -7.544 -3.563 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.328 -6.221 -1.896 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.845 -6.885 -2.470 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -5.058 -9.548 -2.278 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -2.318 -7.199 -0.027 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -4.858 -11.355 -0.652 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.134 -9.010 1.625 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.751 -11.072 2.190 1.00 10.00 H new ATOM 782 N SER A 57 -3.001 -9.620 -4.635 1.00 10.00 N ATOM 783 CA SER A 57 -3.505 -10.852 -5.180 1.00 10.00 C ATOM 784 C SER A 57 -2.474 -11.895 -4.885 1.00 10.00 C ATOM 785 O SER A 57 -1.293 -11.559 -4.823 1.00 10.00 O ATOM 786 CB SER A 57 -3.708 -10.732 -6.709 1.00 10.00 C ATOM 787 OG SER A 57 -4.565 -9.635 -7.036 1.00 10.00 O ATOM 0 H SER A 57 -1.990 -9.608 -4.502 1.00 10.00 H new ATOM 0 HA SER A 57 -4.471 -11.104 -4.742 1.00 10.00 H new ATOM 0 HB2 SER A 57 -2.742 -10.599 -7.197 1.00 10.00 H new ATOM 0 HB3 SER A 57 -4.135 -11.657 -7.095 1.00 10.00 H new ATOM 0 HG SER A 57 -5.059 -9.357 -6.237 1.00 10.00 H new ATOM 793 N GLN A 58 -2.904 -13.125 -4.596 1.00 10.00 N ATOM 794 CA GLN A 58 -1.990 -14.259 -4.395 1.00 10.00 C ATOM 795 C GLN A 58 -1.097 -14.069 -3.154 1.00 10.00 C ATOM 796 O GLN A 58 -0.087 -14.765 -2.982 1.00 10.00 O ATOM 797 CB GLN A 58 -1.152 -14.437 -5.660 1.00 10.00 C ATOM 798 CG GLN A 58 -1.981 -14.837 -6.870 1.00 10.00 C ATOM 799 CD GLN A 58 -1.226 -14.718 -8.168 1.00 10.00 C ATOM 800 OE1 GLN A 58 -0.331 -13.868 -8.314 1.00 10.00 O ATOM 801 NE2 GLN A 58 -1.552 -15.549 -9.110 1.00 10.00 N ATOM 0 H GLN A 58 -3.890 -13.366 -4.494 1.00 10.00 H new ATOM 0 HA GLN A 58 -2.576 -15.159 -4.211 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -0.629 -13.506 -5.877 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -0.391 -15.196 -5.481 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -2.320 -15.865 -6.747 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -2.872 -14.211 -6.916 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -2.292 -16.233 -8.953 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -1.068 -15.518 -10.007 1.00 10.00 H new ATOM 810 N GLY A 59 -1.507 -13.164 -2.282 1.00 10.00 N ATOM 811 CA GLY A 59 -0.749 -12.841 -1.087 1.00 10.00 C ATOM 812 C GLY A 59 0.396 -11.889 -1.364 1.00 10.00 C ATOM 813 O GLY A 59 1.199 -11.609 -0.487 1.00 10.00 O ATOM 0 H GLY A 59 -2.373 -12.634 -2.383 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -1.415 -12.397 -0.347 1.00 10.00 H new ATOM 0 HA3 GLY A 59 -0.356 -13.759 -0.651 1.00 10.00 H new ATOM 817 N VAL A 60 0.491 -11.393 -2.576 1.00 10.00 N ATOM 818 CA VAL A 60 1.544 -10.471 -2.885 1.00 10.00 C ATOM 819 C VAL A 60 0.977 -9.069 -2.973 1.00 10.00 C ATOM 820 O VAL A 60 -0.187 -8.871 -3.377 1.00 10.00 O ATOM 821 CB VAL A 60 2.368 -10.842 -4.168 1.00 10.00 C ATOM 822 CG1 VAL A 60 2.844 -12.286 -4.105 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.605 -10.580 -5.464 1.00 10.00 C ATOM 0 H VAL A 60 -0.139 -11.611 -3.348 1.00 10.00 H new ATOM 0 HA VAL A 60 2.265 -10.528 -2.070 1.00 10.00 H new ATOM 0 HB VAL A 60 3.236 -10.183 -4.180 1.00 10.00 H new ATOM 0 HG11 VAL A 60 3.413 -12.521 -5.005 1.00 10.00 H new ATOM 0 HG12 VAL A 60 3.478 -12.422 -3.229 1.00 10.00 H new ATOM 0 HG13 VAL A 60 1.983 -12.950 -4.036 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.228 -10.856 -6.315 1.00 10.00 H new ATOM 0 HG22 VAL A 60 0.691 -11.174 -5.475 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.351 -9.522 -5.529 1.00 10.00 H new ATOM 833 N PHE A 61 1.771 -8.130 -2.569 1.00 10.00 N ATOM 834 CA PHE A 61 1.393 -6.743 -2.509 1.00 10.00 C ATOM 835 C PHE A 61 2.120 -5.913 -3.519 1.00 10.00 C ATOM 836 O PHE A 61 3.363 -5.935 -3.568 1.00 10.00 O ATOM 837 CB PHE A 61 1.822 -6.140 -1.183 1.00 10.00 C ATOM 838 CG PHE A 61 0.893 -6.166 -0.038 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.340 -5.547 -0.108 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.288 -6.739 1.145 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.159 -5.522 0.994 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.479 -6.698 2.247 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.740 -6.095 2.167 1.00 10.00 C ATOM 0 H PHE A 61 2.728 -8.305 -2.262 1.00 10.00 H new ATOM 0 HA PHE A 61 0.315 -6.730 -2.672 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.735 -6.648 -0.874 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.083 -5.098 -1.368 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.660 -5.083 -1.029 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.249 -7.228 1.206 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.130 -5.053 0.937 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.805 -7.142 3.176 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.382 -6.068 3.035 1.00 10.00 H new ATOM 853 N PHE A 62 1.392 -5.173 -4.283 1.00 10.00 N ATOM 854 CA PHE A 62 1.982 -4.095 -4.974 1.00 10.00 C ATOM 855 C PHE A 62 1.235 -2.865 -4.526 1.00 10.00 C ATOM 856 O PHE A 62 0.043 -2.736 -4.761 1.00 10.00 O ATOM 857 CB PHE A 62 1.984 -4.233 -6.499 1.00 10.00 C ATOM 858 CG PHE A 62 2.763 -3.127 -7.181 1.00 10.00 C ATOM 859 CD1 PHE A 62 4.139 -3.234 -7.339 1.00 10.00 C ATOM 860 CD2 PHE A 62 2.130 -1.978 -7.640 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.864 -2.226 -7.944 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.850 -0.966 -8.247 1.00 10.00 C ATOM 863 CZ PHE A 62 4.219 -1.091 -8.398 1.00 10.00 C ATOM 0 H PHE A 62 0.392 -5.299 -4.440 1.00 10.00 H new ATOM 0 HA PHE A 62 3.044 -4.050 -4.731 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.413 -5.197 -6.773 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.956 -4.227 -6.862 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.649 -4.117 -6.984 1.00 10.00 H new ATOM 0 HD2 PHE A 62 1.062 -1.874 -7.521 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.933 -2.325 -8.062 1.00 10.00 H new ATOM 0 HE2 PHE A 62 2.345 -0.080 -8.602 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.784 -0.302 -8.871 1.00 10.00 H new ATOM 873 N GLN A 63 1.909 -1.992 -3.866 1.00 10.00 N ATOM 874 CA GLN A 63 1.265 -0.848 -3.282 1.00 10.00 C ATOM 875 C GLN A 63 2.160 0.318 -3.503 1.00 10.00 C ATOM 876 O GLN A 63 3.382 0.201 -3.302 1.00 10.00 O ATOM 877 CB GLN A 63 1.071 -1.128 -1.772 1.00 10.00 C ATOM 878 CG GLN A 63 0.119 -0.206 -0.983 1.00 10.00 C ATOM 879 CD GLN A 63 0.564 1.244 -0.786 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.241 2.112 -0.679 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.832 1.506 -0.731 1.00 10.00 N ATOM 0 H GLN A 63 2.916 -2.041 -3.711 1.00 10.00 H new ATOM 0 HA GLN A 63 0.290 -0.645 -3.725 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.710 -2.151 -1.665 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.050 -1.084 -1.295 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.845 -0.199 -1.492 1.00 10.00 H new ATOM 0 HG3 GLN A 63 -0.043 -0.648 0.000 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.513 0.752 -0.824 1.00 10.00 H new ATOM 0 HE22 GLN A 63 2.149 2.466 -0.595 1.00 10.00 H new ATOM 890 N TRP A 64 1.617 1.424 -3.899 1.00 10.00 N ATOM 891 CA TRP A 64 2.440 2.563 -4.070 1.00 10.00 C ATOM 892 C TRP A 64 1.702 3.815 -3.620 1.00 10.00 C ATOM 893 O TRP A 64 0.474 3.811 -3.480 1.00 10.00 O ATOM 894 CB TRP A 64 2.945 2.684 -5.512 1.00 10.00 C ATOM 895 CG TRP A 64 2.061 3.351 -6.486 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.315 4.534 -7.078 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.802 2.915 -6.987 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.325 4.861 -7.923 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.369 3.897 -7.888 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.004 1.804 -6.771 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.824 3.801 -8.572 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.186 1.714 -7.445 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.590 2.708 -8.339 1.00 10.00 C ATOM 0 H TRP A 64 0.627 1.557 -4.105 1.00 10.00 H new ATOM 0 HA TRP A 64 3.323 2.446 -3.442 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.893 3.222 -5.493 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.156 1.680 -5.881 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.193 5.136 -6.898 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.295 5.701 -8.501 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.312 1.027 -6.087 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -1.136 4.567 -9.266 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.824 0.858 -7.282 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.533 2.603 -8.855 1.00 10.00 H new ATOM 914 N LEU A 65 2.449 4.864 -3.424 1.00 10.00 N ATOM 915 CA LEU A 65 1.939 6.103 -2.907 1.00 10.00 C ATOM 916 C LEU A 65 2.567 7.295 -3.615 1.00 10.00 C ATOM 917 O LEU A 65 3.782 7.325 -3.838 1.00 10.00 O ATOM 918 CB LEU A 65 2.150 6.197 -1.376 1.00 10.00 C ATOM 919 CG LEU A 65 3.567 5.910 -0.845 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.709 6.442 0.550 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.884 4.415 -0.808 1.00 10.00 C ATOM 0 H LEU A 65 3.449 4.883 -3.623 1.00 10.00 H new ATOM 0 HA LEU A 65 0.867 6.125 -3.101 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.865 7.199 -1.056 1.00 10.00 H new ATOM 0 HB3 LEU A 65 1.461 5.502 -0.896 1.00 10.00 H new ATOM 0 HG LEU A 65 4.260 6.400 -1.529 1.00 10.00 H new ATOM 0 HD11 LEU A 65 4.714 6.235 0.918 1.00 10.00 H new ATOM 0 HD12 LEU A 65 3.538 7.519 0.548 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.978 5.960 1.199 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.894 4.267 -0.426 1.00 10.00 H new ATOM 0 HD22 LEU A 65 3.172 3.908 -0.157 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.812 4.003 -1.815 1.00 10.00 H new ATOM 933 N GLU A 66 1.734 8.232 -4.012 1.00 10.00 N ATOM 934 CA GLU A 66 2.160 9.455 -4.658 1.00 10.00 C ATOM 935 C GLU A 66 1.954 10.599 -3.688 1.00 10.00 C ATOM 936 O GLU A 66 0.850 10.805 -3.222 1.00 10.00 O ATOM 937 CB GLU A 66 1.256 9.759 -5.826 1.00 10.00 C ATOM 938 CG GLU A 66 1.005 8.652 -6.808 1.00 10.00 C ATOM 939 CD GLU A 66 0.132 9.149 -7.925 1.00 10.00 C ATOM 940 OE1 GLU A 66 -1.083 9.388 -7.699 1.00 10.00 O ATOM 941 OE2 GLU A 66 0.671 9.381 -9.018 1.00 10.00 O ATOM 0 H GLU A 66 0.723 8.164 -3.893 1.00 10.00 H new ATOM 0 HA GLU A 66 3.197 9.342 -4.973 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.293 10.085 -5.432 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.680 10.603 -6.370 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.951 8.288 -7.208 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.526 7.811 -6.307 1.00 10.00 H new ATOM 948 N GLY A 67 2.964 11.346 -3.404 1.00 10.00 N ATOM 949 CA GLY A 67 2.817 12.432 -2.482 1.00 10.00 C ATOM 950 C GLY A 67 4.005 13.344 -2.512 1.00 10.00 C ATOM 951 O GLY A 67 4.932 13.088 -3.251 1.00 10.00 O ATOM 0 H GLY A 67 3.900 11.230 -3.792 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.917 12.997 -2.725 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.684 12.039 -1.474 1.00 10.00 H new ATOM 955 N HIS A 68 3.968 14.422 -1.750 1.00 10.00 N ATOM 956 CA HIS A 68 5.136 15.303 -1.621 1.00 10.00 C ATOM 957 C HIS A 68 6.221 14.526 -0.851 1.00 10.00 C ATOM 958 O HIS A 68 5.943 14.041 0.209 1.00 10.00 O ATOM 959 CB HIS A 68 4.742 16.590 -0.852 1.00 10.00 C ATOM 960 CG HIS A 68 5.872 17.422 -0.402 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.417 17.342 0.860 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.565 18.300 -1.052 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.430 18.151 0.939 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.551 18.766 -0.216 1.00 10.00 N ATOM 0 H HIS A 68 3.153 14.715 -1.211 1.00 10.00 H new ATOM 0 HA HIS A 68 5.509 15.599 -2.602 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.099 17.194 -1.492 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.150 16.307 0.019 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.398 18.612 -2.072 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.062 18.293 1.803 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.254 19.467 -0.451 1.00 10.00 H new ATOM 973 N PRO A 69 7.476 14.457 -1.385 1.00 10.00 N ATOM 974 CA PRO A 69 8.597 13.591 -0.897 1.00 10.00 C ATOM 975 C PRO A 69 8.631 13.290 0.596 1.00 10.00 C ATOM 976 O PRO A 69 8.575 12.134 1.002 1.00 10.00 O ATOM 977 CB PRO A 69 9.859 14.358 -1.324 1.00 10.00 C ATOM 978 CG PRO A 69 9.361 15.550 -2.088 1.00 10.00 C ATOM 979 CD PRO A 69 7.955 15.247 -2.501 1.00 10.00 C ATOM 0 HA PRO A 69 8.489 12.594 -1.324 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.445 14.664 -0.457 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.506 13.737 -1.943 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.397 16.447 -1.470 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.987 15.739 -2.960 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.367 16.154 -2.641 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.916 14.693 -3.439 1.00 10.00 H new ATOM 987 N ALA A 70 8.692 14.307 1.407 1.00 10.00 N ATOM 988 CA ALA A 70 8.798 14.098 2.839 1.00 10.00 C ATOM 989 C ALA A 70 7.557 13.553 3.467 1.00 10.00 C ATOM 990 O ALA A 70 7.625 12.951 4.518 1.00 10.00 O ATOM 991 CB ALA A 70 9.256 15.314 3.543 1.00 10.00 C ATOM 0 H ALA A 70 8.671 15.284 1.114 1.00 10.00 H new ATOM 0 HA ALA A 70 9.559 13.326 2.954 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.321 15.113 4.612 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.238 15.604 3.168 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.548 16.124 3.369 1.00 10.00 H new ATOM 997 N ALA A 71 6.454 13.756 2.848 1.00 10.00 N ATOM 998 CA ALA A 71 5.220 13.197 3.327 1.00 10.00 C ATOM 999 C ALA A 71 5.253 11.723 3.087 1.00 10.00 C ATOM 1000 O ALA A 71 4.880 10.930 3.930 1.00 10.00 O ATOM 1001 CB ALA A 71 4.089 13.753 2.553 1.00 10.00 C ATOM 0 H ALA A 71 6.368 14.311 1.996 1.00 10.00 H new ATOM 0 HA ALA A 71 5.099 13.428 4.385 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.154 13.328 2.918 1.00 10.00 H new ATOM 0 HB2 ALA A 71 4.065 14.836 2.671 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.213 13.505 1.499 1.00 10.00 H new ATOM 1007 N VAL A 72 5.749 11.385 1.917 1.00 10.00 N ATOM 1008 CA VAL A 72 5.869 10.021 1.466 1.00 10.00 C ATOM 1009 C VAL A 72 6.810 9.314 2.391 1.00 10.00 C ATOM 1010 O VAL A 72 6.553 8.217 2.800 1.00 10.00 O ATOM 1011 CB VAL A 72 6.457 9.943 0.035 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.042 8.707 -0.642 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.078 11.108 -0.795 1.00 10.00 C ATOM 0 H VAL A 72 6.087 12.068 1.239 1.00 10.00 H new ATOM 0 HA VAL A 72 4.878 9.567 1.459 1.00 10.00 H new ATOM 0 HB VAL A 72 7.541 9.947 0.151 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.470 8.680 -1.644 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.393 7.846 -0.074 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.955 8.677 -0.711 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.515 11.005 -1.788 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.992 11.157 -0.880 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.447 12.022 -0.329 1.00 10.00 H new ATOM 1023 N ALA A 73 7.899 9.979 2.725 1.00 10.00 N ATOM 1024 CA ALA A 73 8.878 9.434 3.631 1.00 10.00 C ATOM 1025 C ALA A 73 8.396 9.389 5.068 1.00 10.00 C ATOM 1026 O ALA A 73 8.768 8.490 5.813 1.00 10.00 O ATOM 1027 CB ALA A 73 10.133 10.189 3.567 1.00 10.00 C ATOM 0 H ALA A 73 8.125 10.910 2.374 1.00 10.00 H new ATOM 0 HA ALA A 73 9.046 8.408 3.304 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.854 9.756 4.261 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.533 10.145 2.554 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.947 11.228 3.839 1.00 10.00 H new ATOM 1033 N GLU A 74 7.621 10.381 5.468 1.00 10.00 N ATOM 1034 CA GLU A 74 6.979 10.389 6.794 1.00 10.00 C ATOM 1035 C GLU A 74 6.120 9.154 6.864 1.00 10.00 C ATOM 1036 O GLU A 74 6.213 8.361 7.799 1.00 10.00 O ATOM 1037 CB GLU A 74 6.182 11.722 6.969 1.00 10.00 C ATOM 1038 CG GLU A 74 5.506 11.990 8.328 1.00 10.00 C ATOM 1039 CD GLU A 74 4.092 11.453 8.437 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.194 11.956 7.719 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.832 10.567 9.273 1.00 10.00 O ATOM 0 H GLU A 74 7.413 11.201 4.898 1.00 10.00 H new ATOM 0 HA GLU A 74 7.694 10.359 7.616 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.865 12.548 6.767 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.410 11.752 6.201 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.113 11.545 9.117 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.489 13.065 8.507 1.00 10.00 H new ATOM 1048 N VAL A 75 5.383 8.946 5.814 1.00 10.00 N ATOM 1049 CA VAL A 75 4.631 7.762 5.631 1.00 10.00 C ATOM 1050 C VAL A 75 5.552 6.518 5.622 1.00 10.00 C ATOM 1051 O VAL A 75 5.314 5.606 6.387 1.00 10.00 O ATOM 1052 CB VAL A 75 3.754 7.863 4.363 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.210 6.535 3.951 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.607 8.821 4.616 1.00 10.00 C ATOM 0 H VAL A 75 5.293 9.615 5.050 1.00 10.00 H new ATOM 0 HA VAL A 75 3.953 7.642 6.476 1.00 10.00 H new ATOM 0 HB VAL A 75 4.384 8.230 3.553 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.600 6.654 3.056 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.034 5.854 3.741 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.598 6.127 4.756 1.00 10.00 H new ATOM 0 HG21 VAL A 75 1.988 8.892 3.721 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.003 8.455 5.446 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.003 9.806 4.862 1.00 10.00 H new ATOM 1064 N MET A 76 6.620 6.504 4.782 1.00 10.00 N ATOM 1065 CA MET A 76 7.584 5.409 4.748 1.00 10.00 C ATOM 1066 C MET A 76 8.095 5.053 6.126 1.00 10.00 C ATOM 1067 O MET A 76 7.987 3.926 6.522 1.00 10.00 O ATOM 1068 CB MET A 76 8.767 5.744 3.836 1.00 10.00 C ATOM 1069 CG MET A 76 8.459 5.915 2.349 1.00 10.00 C ATOM 1070 SD MET A 76 8.223 4.394 1.391 1.00 10.00 S ATOM 1071 CE MET A 76 6.722 3.754 2.072 1.00 10.00 C ATOM 0 H MET A 76 6.823 7.253 4.120 1.00 10.00 H new ATOM 0 HA MET A 76 7.054 4.544 4.349 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.225 6.665 4.197 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.512 4.955 3.941 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.558 6.521 2.255 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.272 6.481 1.895 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.323 2.984 1.412 1.00 10.00 H new ATOM 0 HE2 MET A 76 6.922 3.324 3.053 1.00 10.00 H new ATOM 0 HE3 MET A 76 5.995 4.560 2.171 1.00 10.00 H new ATOM 1081 N SER A 77 8.573 6.016 6.867 1.00 10.00 N ATOM 1082 CA SER A 77 9.102 5.773 8.207 1.00 10.00 C ATOM 1083 C SER A 77 8.024 5.228 9.150 1.00 10.00 C ATOM 1084 O SER A 77 8.319 4.436 10.036 1.00 10.00 O ATOM 1085 CB SER A 77 9.735 7.051 8.747 1.00 10.00 C ATOM 1086 OG SER A 77 10.680 7.581 7.814 1.00 10.00 O ATOM 0 H SER A 77 8.612 6.992 6.572 1.00 10.00 H new ATOM 0 HA SER A 77 9.873 5.005 8.145 1.00 10.00 H new ATOM 0 HB2 SER A 77 8.959 7.791 8.946 1.00 10.00 H new ATOM 0 HB3 SER A 77 10.230 6.845 9.696 1.00 10.00 H new ATOM 0 HG SER A 77 10.203 8.003 7.069 1.00 10.00 H new ATOM 1092 N HIS A 78 6.787 5.632 8.942 1.00 10.00 N ATOM 1093 CA HIS A 78 5.683 5.076 9.726 1.00 10.00 C ATOM 1094 C HIS A 78 5.327 3.650 9.273 1.00 10.00 C ATOM 1095 O HIS A 78 4.921 2.819 10.088 1.00 10.00 O ATOM 1096 CB HIS A 78 4.432 5.977 9.725 1.00 10.00 C ATOM 1097 CG HIS A 78 4.529 7.205 10.600 1.00 10.00 C ATOM 1098 ND1 HIS A 78 3.656 7.458 11.621 1.00 10.00 N ATOM 1099 CD2 HIS A 78 5.353 8.269 10.560 1.00 10.00 C ATOM 1100 CE1 HIS A 78 3.934 8.618 12.165 1.00 10.00 C ATOM 1101 NE2 HIS A 78 4.959 9.141 11.539 1.00 10.00 N ATOM 0 H HIS A 78 6.515 6.331 8.251 1.00 10.00 H new ATOM 0 HA HIS A 78 6.040 5.030 10.755 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.231 6.294 8.701 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.576 5.385 10.049 1.00 10.00 H new ATOM 0 HD2 HIS A 78 6.178 8.410 9.877 1.00 10.00 H new ATOM 0 HE1 HIS A 78 3.405 9.068 12.992 1.00 10.00 H new ATOM 0 HE2 HIS A 78 5.389 10.042 11.745 1.00 10.00 H new ATOM 1110 N ILE A 79 5.495 3.352 7.985 1.00 10.00 N ATOM 1111 CA ILE A 79 5.142 2.024 7.482 1.00 10.00 C ATOM 1112 C ILE A 79 6.277 1.049 7.704 1.00 10.00 C ATOM 1113 O ILE A 79 6.053 -0.008 8.226 1.00 10.00 O ATOM 1114 CB ILE A 79 4.792 1.972 5.957 1.00 10.00 C ATOM 1115 CG1 ILE A 79 3.929 3.121 5.518 1.00 10.00 C ATOM 1116 CG2 ILE A 79 4.058 0.698 5.650 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.500 3.054 4.054 1.00 10.00 C ATOM 0 H ILE A 79 5.864 3.995 7.285 1.00 10.00 H new ATOM 0 HA ILE A 79 4.248 1.756 8.045 1.00 10.00 H new ATOM 0 HB ILE A 79 5.738 2.029 5.419 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.038 3.153 6.145 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.470 4.052 5.685 1.00 10.00 H new ATOM 0 HG21 ILE A 79 3.816 0.665 4.588 1.00 10.00 H new ATOM 0 HG22 ILE A 79 4.687 -0.155 5.906 1.00 10.00 H new ATOM 0 HG23 ILE A 79 3.138 0.658 6.233 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.880 3.919 3.816 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.383 3.054 3.416 1.00 10.00 H new ATOM 0 HD13 ILE A 79 2.929 2.141 3.883 1.00 10.00 H new ATOM 1129 N GLN A 80 7.496 1.452 7.327 1.00 10.00 N ATOM 1130 CA GLN A 80 8.723 0.609 7.342 1.00 10.00 C ATOM 1131 C GLN A 80 9.138 0.072 8.720 1.00 10.00 C ATOM 1132 O GLN A 80 10.164 -0.598 8.853 1.00 10.00 O ATOM 1133 CB GLN A 80 9.894 1.357 6.646 1.00 10.00 C ATOM 1134 CG GLN A 80 9.533 1.727 5.220 1.00 10.00 C ATOM 1135 CD GLN A 80 9.107 0.540 4.486 1.00 10.00 C ATOM 1136 OE1 GLN A 80 9.656 -0.538 4.648 1.00 10.00 O ATOM 1137 NE2 GLN A 80 8.044 0.672 3.803 1.00 10.00 N ATOM 0 H GLN A 80 7.674 2.399 6.992 1.00 10.00 H new ATOM 0 HA GLN A 80 8.467 -0.288 6.778 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.139 2.258 7.208 1.00 10.00 H new ATOM 0 HB3 GLN A 80 10.784 0.728 6.648 1.00 10.00 H new ATOM 0 HG2 GLN A 80 8.735 2.470 5.220 1.00 10.00 H new ATOM 0 HG3 GLN A 80 10.392 2.181 4.725 1.00 10.00 H new ATOM 0 HE21 GLN A 80 7.619 1.593 3.694 1.00 10.00 H new ATOM 0 HE22 GLN A 80 7.616 -0.143 3.364 1.00 10.00 H new ATOM 1146 N ARG A 81 8.397 0.410 9.743 1.00 10.00 N ATOM 1147 CA ARG A 81 8.600 -0.186 11.055 1.00 10.00 C ATOM 1148 C ARG A 81 7.603 -1.343 11.268 1.00 10.00 C ATOM 1149 O ARG A 81 7.387 -1.804 12.391 1.00 10.00 O ATOM 1150 CB ARG A 81 8.464 0.878 12.141 1.00 10.00 C ATOM 1151 CG ARG A 81 9.320 2.099 11.882 1.00 10.00 C ATOM 1152 CD ARG A 81 10.765 1.726 11.581 1.00 10.00 C ATOM 1153 NE ARG A 81 11.476 2.828 10.944 1.00 10.00 N ATOM 1154 CZ ARG A 81 12.175 2.720 9.804 1.00 10.00 C ATOM 1155 NH1 ARG A 81 12.373 1.530 9.251 1.00 10.00 N ATOM 1156 NH2 ARG A 81 12.687 3.802 9.237 1.00 10.00 N ATOM 0 H ARG A 81 7.643 1.096 9.701 1.00 10.00 H new ATOM 0 HA ARG A 81 9.608 -0.596 11.115 1.00 10.00 H new ATOM 0 HB2 ARG A 81 7.420 1.182 12.216 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.739 0.445 13.103 1.00 10.00 H new ATOM 0 HG2 ARG A 81 8.908 2.660 11.043 1.00 10.00 H new ATOM 0 HG3 ARG A 81 9.288 2.756 12.751 1.00 10.00 H new ATOM 0 HD2 ARG A 81 11.272 1.450 12.506 1.00 10.00 H new ATOM 0 HD3 ARG A 81 10.789 0.851 10.931 1.00 10.00 H new ATOM 0 HE ARG A 81 11.440 3.742 11.395 1.00 10.00 H new ATOM 0 HH11 ARG A 81 11.993 0.693 9.693 1.00 10.00 H new ATOM 0 HH12 ARG A 81 12.905 1.453 8.384 1.00 10.00 H new ATOM 0 HH21 ARG A 81 12.550 4.717 9.667 1.00 10.00 H new ATOM 0 HH22 ARG A 81 13.219 3.721 8.370 1.00 10.00 H new ATOM 1170 N ASP A 82 7.031 -1.803 10.160 1.00 10.00 N ATOM 1171 CA ASP A 82 6.068 -2.894 10.082 1.00 10.00 C ATOM 1172 C ASP A 82 6.628 -4.301 10.503 1.00 10.00 C ATOM 1173 O ASP A 82 7.518 -4.413 11.348 1.00 10.00 O ATOM 1174 CB ASP A 82 5.578 -2.954 8.651 1.00 10.00 C ATOM 1175 CG ASP A 82 6.693 -3.276 7.674 1.00 10.00 C ATOM 1176 OD1 ASP A 82 7.355 -2.363 7.200 1.00 10.00 O ATOM 1177 OD2 ASP A 82 6.838 -4.432 7.320 1.00 10.00 O ATOM 0 H ASP A 82 7.238 -1.403 9.245 1.00 10.00 H new ATOM 0 HA ASP A 82 5.273 -2.681 10.797 1.00 10.00 H new ATOM 0 HB2 ASP A 82 4.796 -3.709 8.568 1.00 10.00 H new ATOM 0 HB3 ASP A 82 5.128 -1.998 8.383 1.00 10.00 H new ATOM 1182 N ARG A 83 6.085 -5.350 9.830 1.00 10.00 N ATOM 1183 CA ARG A 83 6.196 -6.794 10.139 1.00 10.00 C ATOM 1184 C ARG A 83 4.935 -7.439 9.527 1.00 10.00 C ATOM 1185 O ARG A 83 4.843 -8.634 9.319 1.00 10.00 O ATOM 1186 CB ARG A 83 6.260 -7.059 11.664 1.00 10.00 C ATOM 1187 CG ARG A 83 5.005 -6.704 12.441 1.00 10.00 C ATOM 1188 CD ARG A 83 5.341 -6.376 13.880 1.00 10.00 C ATOM 1189 NE ARG A 83 6.078 -5.100 13.979 1.00 10.00 N ATOM 1190 CZ ARG A 83 5.894 -4.171 14.934 1.00 10.00 C ATOM 1191 NH1 ARG A 83 5.041 -4.389 15.929 1.00 10.00 N ATOM 1192 NH2 ARG A 83 6.557 -3.026 14.878 1.00 10.00 N ATOM 0 H ARG A 83 5.518 -5.193 8.997 1.00 10.00 H new ATOM 0 HA ARG A 83 7.116 -7.211 9.729 1.00 10.00 H new ATOM 0 HB2 ARG A 83 6.479 -8.115 11.823 1.00 10.00 H new ATOM 0 HB3 ARG A 83 7.095 -6.495 12.079 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.511 -5.852 11.974 1.00 10.00 H new ATOM 0 HG3 ARG A 83 4.303 -7.537 12.407 1.00 10.00 H new ATOM 0 HD2 ARG A 83 4.424 -6.316 14.466 1.00 10.00 H new ATOM 0 HD3 ARG A 83 5.940 -7.179 14.308 1.00 10.00 H new ATOM 0 HE ARG A 83 6.782 -4.908 13.267 1.00 10.00 H new ATOM 0 HH11 ARG A 83 4.521 -5.265 15.972 1.00 10.00 H new ATOM 0 HH12 ARG A 83 4.906 -3.680 16.650 1.00 10.00 H new ATOM 0 HH21 ARG A 83 7.206 -2.850 14.111 1.00 10.00 H new ATOM 0 HH22 ARG A 83 6.418 -2.321 15.602 1.00 10.00 H new ATOM 1206 N ARG A 84 3.957 -6.552 9.290 1.00 10.00 N ATOM 1207 CA ARG A 84 2.693 -6.820 8.613 1.00 10.00 C ATOM 1208 C ARG A 84 2.874 -7.374 7.180 1.00 10.00 C ATOM 1209 O ARG A 84 2.526 -8.464 6.867 1.00 10.00 O ATOM 1210 CB ARG A 84 1.943 -5.489 8.505 1.00 10.00 C ATOM 1211 CG ARG A 84 1.316 -4.981 9.784 1.00 10.00 C ATOM 1212 CD ARG A 84 0.801 -3.576 9.566 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.103 -3.117 10.614 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.143 -1.866 11.120 1.00 10.00 C ATOM 1215 NH1 ARG A 84 0.758 -0.962 10.748 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -1.075 -1.530 12.003 1.00 10.00 N ATOM 0 H ARG A 84 4.037 -5.579 9.584 1.00 10.00 H new ATOM 0 HA ARG A 84 2.157 -7.573 9.191 1.00 10.00 H new ATOM 0 HB2 ARG A 84 2.636 -4.732 8.137 1.00 10.00 H new ATOM 0 HB3 ARG A 84 1.159 -5.595 7.755 1.00 10.00 H new ATOM 0 HG2 ARG A 84 0.500 -5.637 10.087 1.00 10.00 H new ATOM 0 HG3 ARG A 84 2.049 -4.991 10.590 1.00 10.00 H new ATOM 0 HD2 ARG A 84 1.648 -2.893 9.504 1.00 10.00 H new ATOM 0 HD3 ARG A 84 0.285 -3.532 8.607 1.00 10.00 H new ATOM 0 HE ARG A 84 -0.760 -3.797 10.996 1.00 10.00 H new ATOM 0 HH11 ARG A 84 1.484 -1.212 10.077 1.00 10.00 H new ATOM 0 HH12 ARG A 84 0.723 -0.018 11.134 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -1.766 -2.218 12.303 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -1.101 -0.583 12.382 1.00 10.00 H new ATOM 1230 N HIS A 85 3.427 -6.585 6.353 1.00 10.00 N ATOM 1231 CA HIS A 85 3.557 -6.854 4.936 1.00 10.00 C ATOM 1232 C HIS A 85 4.955 -7.310 4.607 1.00 10.00 C ATOM 1233 O HIS A 85 5.831 -6.488 4.374 1.00 10.00 O ATOM 1234 CB HIS A 85 3.123 -5.625 4.076 1.00 10.00 C ATOM 1235 CG HIS A 85 3.775 -4.297 4.440 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.596 -3.129 3.749 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.581 -3.965 5.462 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.274 -2.185 4.361 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.854 -2.672 5.382 1.00 10.00 N ATOM 0 H HIS A 85 3.827 -5.689 6.631 1.00 10.00 H new ATOM 0 HA HIS A 85 2.877 -7.667 4.682 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.343 -5.841 3.031 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.042 -5.512 4.158 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.945 -4.640 6.222 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.330 -1.154 4.045 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.437 -2.150 6.036 1.00 10.00 H new ATOM 1248 N SER A 86 5.070 -8.602 4.463 1.00 10.00 N ATOM 1249 CA SER A 86 6.285 -9.396 4.383 1.00 10.00 C ATOM 1250 C SER A 86 7.681 -8.748 4.338 1.00 10.00 C ATOM 1251 O SER A 86 8.534 -9.048 5.186 1.00 10.00 O ATOM 1252 CB SER A 86 6.084 -10.486 3.433 1.00 10.00 C ATOM 1253 OG SER A 86 5.359 -11.550 3.978 1.00 10.00 O ATOM 0 H SER A 86 4.240 -9.190 4.391 1.00 10.00 H new ATOM 0 HA SER A 86 6.394 -9.757 5.406 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.560 -10.106 2.556 1.00 10.00 H new ATOM 0 HB3 SER A 86 7.054 -10.849 3.092 1.00 10.00 H new ATOM 0 HG SER A 86 4.699 -11.865 3.325 1.00 10.00 H new ATOM 1259 N ASN A 87 7.912 -7.897 3.396 1.00 10.00 N ATOM 1260 CA ASN A 87 9.258 -7.283 3.246 1.00 10.00 C ATOM 1261 C ASN A 87 9.212 -5.819 3.028 1.00 10.00 C ATOM 1262 O ASN A 87 10.141 -5.098 3.386 1.00 10.00 O ATOM 1263 CB ASN A 87 10.101 -7.860 2.103 1.00 10.00 C ATOM 1264 CG ASN A 87 10.355 -9.336 2.111 1.00 10.00 C ATOM 1265 OD1 ASN A 87 10.418 -9.980 3.149 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.536 -9.870 0.945 1.00 10.00 N ATOM 0 H ASN A 87 7.221 -7.592 2.711 1.00 10.00 H new ATOM 0 HA ASN A 87 9.724 -7.523 4.202 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.611 -7.608 1.163 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.065 -7.352 2.106 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.740 -10.866 0.866 1.00 10.00 H new ATOM 0 HD22 ASN A 87 10.474 -9.294 0.105 1.00 10.00 H new ATOM 1273 N VAL A 88 8.122 -5.407 2.504 1.00 10.00 N ATOM 1274 CA VAL A 88 7.906 -4.112 1.946 1.00 10.00 C ATOM 1275 C VAL A 88 9.100 -3.499 1.237 1.00 10.00 C ATOM 1276 O VAL A 88 9.744 -2.560 1.702 1.00 10.00 O ATOM 1277 CB VAL A 88 7.117 -3.153 2.835 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.771 -2.854 4.118 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.736 -1.903 2.138 1.00 10.00 C ATOM 0 H VAL A 88 7.294 -6.000 2.445 1.00 10.00 H new ATOM 0 HA VAL A 88 7.221 -4.314 1.123 1.00 10.00 H new ATOM 0 HB VAL A 88 6.202 -3.698 3.069 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.149 -2.167 4.692 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.907 -3.777 4.681 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.743 -2.396 3.933 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.178 -1.262 2.820 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.635 -1.384 1.805 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.115 -2.142 1.275 1.00 10.00 H new ATOM 1289 N GLU A 89 9.402 -4.065 0.131 1.00 10.00 N ATOM 1290 CA GLU A 89 10.492 -3.610 -0.669 1.00 10.00 C ATOM 1291 C GLU A 89 10.038 -2.497 -1.560 1.00 10.00 C ATOM 1292 O GLU A 89 9.503 -2.743 -2.639 1.00 10.00 O ATOM 1293 CB GLU A 89 11.043 -4.754 -1.478 1.00 10.00 C ATOM 1294 CG GLU A 89 11.713 -5.796 -0.626 1.00 10.00 C ATOM 1295 CD GLU A 89 11.733 -7.152 -1.267 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.727 -7.884 -1.148 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.742 -7.523 -1.902 1.00 10.00 O ATOM 0 H GLU A 89 8.900 -4.865 -0.255 1.00 10.00 H new ATOM 0 HA GLU A 89 11.284 -3.232 -0.023 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.234 -5.217 -2.043 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.759 -4.369 -2.204 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.736 -5.484 -0.417 1.00 10.00 H new ATOM 0 HG3 GLU A 89 11.197 -5.861 0.332 1.00 10.00 H new ATOM 1304 N ILE A 90 10.087 -1.289 -1.006 1.00 10.00 N ATOM 1305 CA ILE A 90 9.853 -0.045 -1.745 1.00 10.00 C ATOM 1306 C ILE A 90 10.679 -0.130 -2.972 1.00 10.00 C ATOM 1307 O ILE A 90 10.188 -0.401 -4.045 1.00 10.00 O ATOM 1308 CB ILE A 90 10.259 1.234 -0.897 1.00 10.00 C ATOM 1309 CG1 ILE A 90 9.834 1.094 0.553 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.639 2.530 -1.454 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.364 0.943 0.719 1.00 10.00 C ATOM 0 H ILE A 90 10.293 -1.141 -0.018 1.00 10.00 H new ATOM 0 HA ILE A 90 8.793 0.064 -1.974 1.00 10.00 H new ATOM 0 HB ILE A 90 11.345 1.300 -0.966 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.333 0.229 0.990 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.168 1.970 1.109 1.00 10.00 H new ATOM 0 HG21 ILE A 90 9.948 3.375 -0.838 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.978 2.685 -2.478 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.552 2.449 -1.440 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.125 0.848 1.778 1.00 10.00 H new ATOM 0 HD12 ILE A 90 7.860 1.819 0.311 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.028 0.052 0.190 1.00 10.00 H new ATOM 1323 N LEU A 91 11.934 0.001 -2.770 1.00 10.00 N ATOM 1324 CA LEU A 91 12.991 -0.092 -3.780 1.00 10.00 C ATOM 1325 C LEU A 91 12.856 0.920 -4.935 1.00 10.00 C ATOM 1326 O LEU A 91 13.792 1.109 -5.711 1.00 10.00 O ATOM 1327 CB LEU A 91 13.142 -1.533 -4.302 1.00 10.00 C ATOM 1328 CG LEU A 91 13.541 -2.593 -3.256 1.00 10.00 C ATOM 1329 CD1 LEU A 91 13.685 -3.947 -3.915 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.840 -2.206 -2.557 1.00 10.00 C ATOM 0 H LEU A 91 12.307 0.190 -1.840 1.00 10.00 H new ATOM 0 HA LEU A 91 13.910 0.187 -3.265 1.00 10.00 H new ATOM 0 HB2 LEU A 91 12.197 -1.835 -4.754 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.890 -1.534 -5.095 1.00 10.00 H new ATOM 0 HG LEU A 91 12.753 -2.646 -2.505 1.00 10.00 H new ATOM 0 HD11 LEU A 91 13.967 -4.688 -3.167 1.00 10.00 H new ATOM 0 HD12 LEU A 91 12.736 -4.233 -4.369 1.00 10.00 H new ATOM 0 HD13 LEU A 91 14.455 -3.897 -4.684 1.00 10.00 H new ATOM 0 HD21 LEU A 91 15.100 -2.970 -1.824 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.639 -2.123 -3.294 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.711 -1.248 -2.053 1.00 10.00 H new ATOM 1342 N ALA A 92 11.702 1.536 -5.059 1.00 10.00 N ATOM 1343 CA ALA A 92 11.465 2.518 -6.069 1.00 10.00 C ATOM 1344 C ALA A 92 10.842 3.734 -5.452 1.00 10.00 C ATOM 1345 O ALA A 92 9.722 3.674 -4.936 1.00 10.00 O ATOM 1346 CB ALA A 92 10.538 1.966 -7.135 1.00 10.00 C ATOM 0 H ALA A 92 10.901 1.361 -4.452 1.00 10.00 H new ATOM 0 HA ALA A 92 12.417 2.784 -6.529 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.367 2.726 -7.897 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.993 1.088 -7.593 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.587 1.687 -6.681 1.00 10.00 H new ATOM 1352 N GLU A 93 11.570 4.811 -5.462 1.00 10.00 N ATOM 1353 CA GLU A 93 11.075 6.078 -5.013 1.00 10.00 C ATOM 1354 C GLU A 93 11.482 7.078 -6.069 1.00 10.00 C ATOM 1355 O GLU A 93 12.664 7.391 -6.227 1.00 10.00 O ATOM 1356 CB GLU A 93 11.660 6.458 -3.640 1.00 10.00 C ATOM 1357 CG GLU A 93 11.489 5.403 -2.586 1.00 10.00 C ATOM 1358 CD GLU A 93 12.018 5.805 -1.235 1.00 10.00 C ATOM 1359 OE1 GLU A 93 13.245 5.696 -1.003 1.00 10.00 O ATOM 1360 OE2 GLU A 93 11.220 6.211 -0.369 1.00 10.00 O ATOM 0 H GLU A 93 12.537 4.834 -5.786 1.00 10.00 H new ATOM 0 HA GLU A 93 9.993 6.051 -4.881 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.723 6.671 -3.756 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.186 7.378 -3.298 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.430 5.162 -2.494 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.996 4.494 -2.909 1.00 10.00 H new ATOM 1367 N GLU A 94 10.532 7.573 -6.781 1.00 10.00 N ATOM 1368 CA GLU A 94 10.797 8.425 -7.921 1.00 10.00 C ATOM 1369 C GLU A 94 9.972 9.703 -7.872 1.00 10.00 C ATOM 1370 O GLU A 94 8.810 9.677 -7.484 1.00 10.00 O ATOM 1371 CB GLU A 94 10.588 7.608 -9.216 1.00 10.00 C ATOM 1372 CG GLU A 94 9.354 6.697 -9.180 1.00 10.00 C ATOM 1373 CD GLU A 94 9.280 5.726 -10.349 1.00 10.00 C ATOM 1374 OE1 GLU A 94 9.987 4.682 -10.344 1.00 10.00 O ATOM 1375 OE2 GLU A 94 8.515 5.977 -11.297 1.00 10.00 O ATOM 0 H GLU A 94 9.542 7.407 -6.601 1.00 10.00 H new ATOM 0 HA GLU A 94 11.834 8.760 -7.899 1.00 10.00 H new ATOM 0 HB2 GLU A 94 10.497 8.295 -10.057 1.00 10.00 H new ATOM 0 HB3 GLU A 94 11.473 6.998 -9.397 1.00 10.00 H new ATOM 0 HG2 GLU A 94 9.357 6.131 -8.248 1.00 10.00 H new ATOM 0 HG3 GLU A 94 8.456 7.315 -9.174 1.00 10.00 H new ATOM 1382 N SER A 95 10.589 10.818 -8.217 1.00 10.00 N ATOM 1383 CA SER A 95 9.937 12.105 -8.164 1.00 10.00 C ATOM 1384 C SER A 95 8.974 12.255 -9.329 1.00 10.00 C ATOM 1385 O SER A 95 9.371 12.184 -10.502 1.00 10.00 O ATOM 1386 CB SER A 95 10.971 13.249 -8.120 1.00 10.00 C ATOM 1387 OG SER A 95 10.354 14.523 -7.921 1.00 10.00 O ATOM 0 H SER A 95 11.556 10.853 -8.541 1.00 10.00 H new ATOM 0 HA SER A 95 9.357 12.166 -7.243 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.684 13.062 -7.317 1.00 10.00 H new ATOM 0 HB3 SER A 95 11.537 13.262 -9.052 1.00 10.00 H new ATOM 0 HG SER A 95 9.463 14.398 -7.534 1.00 10.00 H new ATOM 1393 N ILE A 96 7.719 12.441 -8.999 1.00 10.00 N ATOM 1394 CA ILE A 96 6.666 12.552 -9.993 1.00 10.00 C ATOM 1395 C ILE A 96 5.990 13.902 -10.019 1.00 10.00 C ATOM 1396 O ILE A 96 6.262 14.768 -9.181 1.00 10.00 O ATOM 1397 CB ILE A 96 5.582 11.508 -9.819 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.940 11.587 -8.443 1.00 10.00 C ATOM 1399 CG2 ILE A 96 6.147 10.129 -10.093 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.602 10.944 -8.372 1.00 10.00 C ATOM 0 H ILE A 96 7.393 12.520 -8.036 1.00 10.00 H new ATOM 0 HA ILE A 96 7.193 12.397 -10.934 1.00 10.00 H new ATOM 0 HB ILE A 96 4.791 11.709 -10.542 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.600 11.114 -7.716 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.846 12.634 -8.155 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.363 9.383 -9.966 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.526 10.087 -11.114 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.959 9.924 -9.396 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.206 11.039 -7.361 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.926 11.432 -9.074 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.692 9.888 -8.628 1.00 10.00 H new ATOM 1412 N ALA A 97 5.116 14.076 -11.000 1.00 10.00 N ATOM 1413 CA ALA A 97 4.317 15.292 -11.118 1.00 10.00 C ATOM 1414 C ALA A 97 2.984 15.098 -10.537 1.00 10.00 C ATOM 1415 O ALA A 97 2.316 16.026 -10.097 1.00 10.00 O ATOM 1416 CB ALA A 97 4.172 15.721 -12.531 1.00 10.00 C ATOM 0 H ALA A 97 4.940 13.387 -11.731 1.00 10.00 H new ATOM 0 HA ALA A 97 4.846 16.071 -10.570 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.571 16.629 -12.576 1.00 10.00 H new ATOM 0 HB2 ALA A 97 5.157 15.917 -12.955 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.681 14.933 -13.102 1.00 10.00 H new ATOM 1422 N LYS A 98 2.664 13.881 -10.506 1.00 10.00 N ATOM 1423 CA LYS A 98 1.446 13.335 -10.099 1.00 10.00 C ATOM 1424 C LYS A 98 0.236 13.919 -10.887 1.00 10.00 C ATOM 1425 O LYS A 98 0.411 14.792 -11.747 1.00 10.00 O ATOM 1426 CB LYS A 98 1.337 13.549 -8.644 1.00 10.00 C ATOM 1427 CG LYS A 98 0.419 12.656 -7.983 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.617 13.341 -7.191 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.142 13.439 -5.815 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.189 13.932 -4.890 1.00 10.00 N ATOM 0 H LYS A 98 3.322 13.158 -10.798 1.00 10.00 H new ATOM 0 HA LYS A 98 1.420 12.268 -10.320 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.324 13.434 -8.196 1.00 10.00 H new ATOM 0 HB3 LYS A 98 1.022 14.576 -8.462 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.066 12.030 -8.732 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.983 11.991 -7.328 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.814 14.333 -7.598 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.555 12.788 -7.232 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.202 12.460 -5.482 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.717 14.109 -5.777 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -0.885 13.778 -3.907 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.343 14.948 -5.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -2.075 13.416 -5.062 1.00 10.00 H new ATOM 1444 N ARG A 99 -0.944 13.350 -10.624 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.280 13.768 -11.170 1.00 10.00 C ATOM 1446 C ARG A 99 -3.183 12.553 -11.205 1.00 10.00 C ATOM 1447 O ARG A 99 -4.392 12.641 -11.028 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.231 14.380 -12.597 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.536 15.054 -13.040 1.00 10.00 C ATOM 1450 CD ARG A 99 -3.766 16.388 -12.324 1.00 10.00 C ATOM 1451 NE ARG A 99 -2.870 17.456 -12.827 1.00 10.00 N ATOM 1452 CZ ARG A 99 -2.278 18.417 -12.074 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -2.410 18.428 -10.746 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -1.567 19.375 -12.671 1.00 10.00 N ATOM 0 H ARG A 99 -1.020 12.548 -9.999 1.00 10.00 H new ATOM 0 HA ARG A 99 -2.650 14.552 -10.510 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.425 15.113 -12.638 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.982 13.593 -13.309 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.510 15.221 -14.117 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.374 14.387 -12.841 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.804 16.695 -12.456 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -3.606 16.256 -11.254 1.00 10.00 H new ATOM 0 HE ARG A 99 -2.681 17.470 -13.829 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -2.963 17.707 -10.282 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -1.958 19.158 -10.195 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -1.472 19.381 -13.687 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -1.119 20.101 -12.112 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.534 11.451 -11.404 1.00 10.00 N ATOM 1469 CA ARG A 100 -3.090 10.108 -11.578 1.00 10.00 C ATOM 1470 C ARG A 100 -4.202 9.772 -10.591 1.00 10.00 C ATOM 1471 O ARG A 100 -5.278 9.305 -10.987 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.939 9.142 -11.423 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.817 9.473 -12.374 1.00 10.00 C ATOM 1474 CD ARG A 100 0.495 8.849 -11.963 1.00 10.00 C ATOM 1475 NE ARG A 100 0.496 7.379 -11.919 1.00 10.00 N ATOM 1476 CZ ARG A 100 1.356 6.680 -11.171 1.00 10.00 C ATOM 1477 NH1 ARG A 100 1.949 7.263 -10.125 1.00 10.00 N ATOM 1478 NH2 ARG A 100 1.531 5.379 -11.381 1.00 10.00 N ATOM 0 H ARG A 100 -1.515 11.445 -11.457 1.00 10.00 H new ATOM 0 HA ARG A 100 -3.556 10.043 -12.561 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.571 9.173 -10.398 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -2.287 8.125 -11.607 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -1.081 9.130 -13.375 1.00 10.00 H new ATOM 0 HG3 ARG A 100 -0.699 10.555 -12.429 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.269 9.178 -12.656 1.00 10.00 H new ATOM 0 HD3 ARG A 100 0.768 9.227 -10.978 1.00 10.00 H new ATOM 0 HE ARG A 100 -0.187 6.872 -12.482 1.00 10.00 H new ATOM 0 HH11 ARG A 100 1.745 8.237 -9.900 1.00 10.00 H new ATOM 0 HH12 ARG A 100 2.606 6.734 -9.551 1.00 10.00 H new ATOM 0 HH21 ARG A 100 1.007 4.906 -12.118 1.00 10.00 H new ATOM 0 HH22 ARG A 100 2.189 4.854 -10.806 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.958 9.989 -9.323 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.937 9.687 -8.332 1.00 10.00 C ATOM 1494 C PHE A 101 -5.196 10.894 -7.481 1.00 10.00 C ATOM 1495 O PHE A 101 -4.364 11.800 -7.408 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.487 8.490 -7.470 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.529 7.173 -8.185 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.501 6.779 -9.025 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.610 6.340 -8.026 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.562 5.574 -9.687 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.678 5.134 -8.683 1.00 10.00 C ATOM 1502 CZ PHE A 101 -4.655 4.751 -9.515 1.00 10.00 C ATOM 0 H PHE A 101 -3.086 10.375 -8.961 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.866 9.409 -8.829 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.470 8.669 -7.120 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.123 8.432 -6.586 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.645 7.423 -9.162 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.419 6.637 -7.375 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.756 5.274 -10.340 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -6.534 4.490 -8.545 1.00 10.00 H new ATOM 0 HZ PHE A 101 -4.706 3.806 -10.034 1.00 10.00 H new ATOM 1512 N ALA A 102 -6.355 10.936 -6.893 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.720 11.975 -5.956 1.00 10.00 C ATOM 1514 C ALA A 102 -6.989 11.346 -4.596 1.00 10.00 C ATOM 1515 O ALA A 102 -7.193 12.047 -3.595 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.922 12.760 -6.444 1.00 10.00 C ATOM 0 H ALA A 102 -7.088 10.244 -7.048 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.895 12.682 -5.868 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -8.171 13.533 -5.717 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.689 13.224 -7.402 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.772 12.088 -6.564 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.974 10.028 -4.569 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.140 9.298 -3.358 1.00 10.00 C ATOM 1524 C GLY A 103 -6.440 7.973 -3.435 1.00 10.00 C ATOM 1525 O GLY A 103 -6.147 7.485 -4.533 1.00 10.00 O ATOM 0 H GLY A 103 -6.845 9.445 -5.396 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.744 9.876 -2.523 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.201 9.143 -3.164 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.115 7.422 -2.300 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.496 6.120 -2.202 1.00 10.00 C ATOM 1531 C TRP A 104 -6.580 5.013 -2.184 1.00 10.00 C ATOM 1532 O TRP A 104 -7.666 5.201 -1.608 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.557 6.106 -0.977 1.00 10.00 C ATOM 1534 CG TRP A 104 -3.998 4.791 -0.559 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -2.770 4.282 -0.808 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -4.664 3.846 0.231 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -2.661 3.056 -0.240 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -3.819 2.768 0.409 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -5.910 3.812 0.794 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.204 1.668 1.142 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.295 2.779 1.488 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.464 1.714 1.669 1.00 10.00 C ATOM 0 H TRP A 104 -6.274 7.869 -1.397 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.880 5.910 -3.076 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.723 6.776 -1.184 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.101 6.526 -0.131 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -1.994 4.777 -1.373 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -1.843 2.449 -0.292 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.580 4.649 0.662 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -3.551 0.821 1.291 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.283 2.766 1.924 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -5.815 0.875 2.251 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.288 3.881 -2.820 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.247 2.789 -2.972 1.00 10.00 C ATOM 1555 C HIS A 105 -6.717 1.509 -2.355 1.00 10.00 C ATOM 1556 O HIS A 105 -5.515 1.353 -2.207 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.505 2.535 -4.453 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.249 3.605 -5.174 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.650 4.749 -5.650 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.543 3.675 -5.550 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.546 5.463 -6.289 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.701 4.837 -6.245 1.00 10.00 N ATOM 0 H HIS A 105 -5.380 3.695 -3.245 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.168 3.079 -2.465 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.546 2.388 -4.950 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.061 1.603 -4.551 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.669 5.001 -5.526 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.311 2.946 -5.339 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -8.364 6.411 -6.773 1.00 10.00 H new ATOM 1571 N MET A 106 -7.614 0.598 -2.030 1.00 10.00 N ATOM 1572 CA MET A 106 -7.257 -0.695 -1.469 1.00 10.00 C ATOM 1573 C MET A 106 -8.285 -1.683 -1.995 1.00 10.00 C ATOM 1574 O MET A 106 -9.465 -1.341 -2.087 1.00 10.00 O ATOM 1575 CB MET A 106 -7.358 -0.638 0.062 1.00 10.00 C ATOM 1576 CG MET A 106 -6.396 -1.553 0.845 1.00 10.00 C ATOM 1577 SD MET A 106 -6.515 -3.316 0.463 1.00 10.00 S ATOM 1578 CE MET A 106 -5.318 -4.006 1.618 1.00 10.00 C ATOM 0 H MET A 106 -8.618 0.733 -2.148 1.00 10.00 H new ATOM 0 HA MET A 106 -6.241 -0.979 -1.742 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.185 0.391 0.378 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.379 -0.891 0.347 1.00 10.00 H new ATOM 0 HG2 MET A 106 -5.374 -1.226 0.653 1.00 10.00 H new ATOM 0 HG3 MET A 106 -6.580 -1.417 1.911 1.00 10.00 H new ATOM 0 HE1 MET A 106 -4.537 -4.528 1.065 1.00 10.00 H new ATOM 0 HE2 MET A 106 -4.872 -3.202 2.203 1.00 10.00 H new ATOM 0 HE3 MET A 106 -5.819 -4.706 2.286 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.861 -2.872 -2.378 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.807 -3.866 -2.876 1.00 10.00 C ATOM 1590 C GLN A 107 -9.560 -4.492 -1.723 1.00 10.00 C ATOM 1591 O GLN A 107 -10.782 -4.673 -1.786 1.00 10.00 O ATOM 1592 CB GLN A 107 -8.123 -4.988 -3.649 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.247 -4.559 -4.804 1.00 10.00 C ATOM 1594 CD GLN A 107 -6.786 -5.744 -5.634 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -5.681 -5.752 -6.163 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -7.645 -6.724 -5.813 1.00 10.00 N ATOM 0 H GLN A 107 -6.887 -3.175 -2.357 1.00 10.00 H new ATOM 0 HA GLN A 107 -9.482 -3.337 -3.549 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -7.515 -5.564 -2.952 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -8.891 -5.660 -4.032 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -7.797 -3.863 -5.438 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -6.378 -4.023 -4.422 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -8.558 -6.691 -5.360 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -7.398 -7.517 -6.405 1.00 10.00 H new