USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 952 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 86 SER OG : rot 120:sc= 0.873 USER MOD Set 1.2: A 89 HIS : no HD1:sc= -3.11! C(o=-1.2!,f=-4.8!) USER MOD Set 1.3: A 108 ASN : amide:sc= -0.254 K(o=-1.2,f=-5.5) USER MOD Set 1.4: A 110 THR OG1 : rot 89:sc= 1.27 USER MOD Set 2.1: A 65 GLN : amide:sc= 1.97 K(o=1.8,f=1.1) USER MOD Set 2.2: A 68 THR OG1 : rot 150:sc= -0.162 USER MOD Single : A 16 SER OG : rot -32:sc= 0.296 USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= 0.989 (180deg=0.0141) USER MOD Single : A 26 MET CE :methyl -150:sc= -0.276 (180deg=-0.922) USER MOD Single : A 28 SER OG : rot 76:sc= 0.112 USER MOD Single : A 29 SER OG : rot -140:sc= -0.187 USER MOD Single : A 30 THR OG1 : rot 94:sc= 0.016 USER MOD Single : A 32 THR OG1 : rot -159:sc= 0.109 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 41 ASN : amide:sc=-0.00189 X(o=-0.0019,f=0) USER MOD Single : A 46 SER OG : rot -170:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= -0.111 (180deg=-0.138) USER MOD Single : A 56 ASN : amide:sc= -2.62! C(o=-2.6!,f=-2.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.9!) USER MOD Single : A 76 SER OG : rot 93:sc= 1.24 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0958 USER MOD Single : A 95 ASN : amide:sc= 0.56 K(o=0.56,f=-1.8) USER MOD Single : A 106 SER OG : rot 9:sc= 0.47 USER MOD Single : A 111 TYR OH : rot 120:sc= -0.015 USER MOD Single : A 113 ASN : amide:sc= -2.56! C(o=-2.6!,f=-6.9!) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= -1.35 K(o=-1.4,f=-7.2!) USER MOD Single : A 122 MET CE :methyl 176:sc= -1.63 (180deg=-1.69) USER MOD Single : A 123 GLN : amide:sc= -1.47! C(o=-1.5!,f=-6.1!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.694 USER MOD Single : A 129 GLN : amide:sc= 0.961 K(o=0.96,f=-7.5!) USER MOD Single : A 132 LYS NZ :NH3+ -135:sc=-0.00155 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 7.998 19.057 8.673 1.00 40.14 N ATOM 215 CA SER A 16 7.152 20.058 9.223 1.00 4.51 C ATOM 216 C SER A 16 5.778 19.432 9.311 1.00 32.11 C ATOM 217 O SER A 16 5.518 18.457 8.599 1.00 33.54 O ATOM 218 CB SER A 16 7.151 21.254 8.284 1.00 30.12 C ATOM 219 OG SER A 16 6.888 20.837 6.945 1.00 51.25 O ATOM 0 HA SER A 16 7.478 20.402 10.205 1.00 4.51 H new ATOM 0 HB2 SER A 16 6.396 21.973 8.602 1.00 30.12 H new ATOM 0 HB3 SER A 16 8.115 21.761 8.331 1.00 30.12 H new ATOM 0 HG SER A 16 7.252 19.938 6.805 1.00 51.25 H new ATOM 225 N VAL A 17 4.927 19.881 10.174 1.00 42.43 N ATOM 226 CA VAL A 17 3.643 19.262 10.222 1.00 52.10 C ATOM 227 C VAL A 17 2.790 19.861 9.114 1.00 21.23 C ATOM 228 O VAL A 17 2.473 21.046 9.107 1.00 24.31 O ATOM 229 CB VAL A 17 2.958 19.447 11.595 1.00 40.13 C ATOM 230 CG1 VAL A 17 1.619 18.730 11.620 1.00 74.31 C ATOM 231 CG2 VAL A 17 3.859 18.938 12.714 1.00 0.44 C ATOM 0 H VAL A 17 5.086 20.644 10.832 1.00 42.43 H new ATOM 0 HA VAL A 17 3.761 18.188 10.079 1.00 52.10 H new ATOM 0 HB VAL A 17 2.782 20.511 11.753 1.00 40.13 H new ATOM 0 HG11 VAL A 17 1.149 18.870 12.594 1.00 74.31 H new ATOM 0 HG12 VAL A 17 0.973 19.139 10.843 1.00 74.31 H new ATOM 0 HG13 VAL A 17 1.773 17.666 11.441 1.00 74.31 H new ATOM 0 HG21 VAL A 17 3.361 19.076 13.674 1.00 0.44 H new ATOM 0 HG22 VAL A 17 4.065 17.879 12.561 1.00 0.44 H new ATOM 0 HG23 VAL A 17 4.796 19.495 12.708 1.00 0.44 H new ATOM 241 N PHE A 18 2.458 19.040 8.178 1.00 71.51 N ATOM 242 CA PHE A 18 1.709 19.440 7.043 1.00 71.20 C ATOM 243 C PHE A 18 0.269 19.057 7.251 1.00 20.54 C ATOM 244 O PHE A 18 -0.068 17.880 7.393 1.00 31.24 O ATOM 245 CB PHE A 18 2.350 18.831 5.781 1.00 63.12 C ATOM 246 CG PHE A 18 1.578 18.922 4.490 1.00 41.51 C ATOM 247 CD1 PHE A 18 1.331 20.136 3.879 1.00 64.04 C ATOM 248 CD2 PHE A 18 1.122 17.764 3.881 1.00 73.21 C ATOM 249 CE1 PHE A 18 0.639 20.187 2.680 1.00 23.10 C ATOM 250 CE2 PHE A 18 0.440 17.807 2.691 1.00 34.33 C ATOM 251 CZ PHE A 18 0.193 19.022 2.087 1.00 52.20 C ATOM 0 H PHE A 18 2.706 18.051 8.183 1.00 71.51 H new ATOM 0 HA PHE A 18 1.724 20.521 6.904 1.00 71.20 H new ATOM 0 HB2 PHE A 18 3.316 19.313 5.629 1.00 63.12 H new ATOM 0 HB3 PHE A 18 2.548 17.778 5.980 1.00 63.12 H new ATOM 0 HD1 PHE A 18 1.679 21.050 4.338 1.00 64.04 H new ATOM 0 HD2 PHE A 18 1.307 16.810 4.352 1.00 73.21 H new ATOM 0 HE1 PHE A 18 0.448 21.139 2.208 1.00 23.10 H new ATOM 0 HE2 PHE A 18 0.098 16.893 2.229 1.00 34.33 H new ATOM 0 HZ PHE A 18 -0.348 19.062 1.153 1.00 52.20 H new ATOM 261 N ARG A 19 -0.573 20.054 7.315 1.00 24.13 N ATOM 262 CA ARG A 19 -1.970 19.853 7.569 1.00 14.24 C ATOM 263 C ARG A 19 -2.649 19.456 6.275 1.00 22.54 C ATOM 264 O ARG A 19 -3.029 20.304 5.459 1.00 51.31 O ATOM 265 CB ARG A 19 -2.645 21.106 8.191 1.00 35.13 C ATOM 266 CG ARG A 19 -2.257 21.446 9.652 1.00 51.32 C ATOM 267 CD ARG A 19 -0.802 21.909 9.832 1.00 12.13 C ATOM 268 NE ARG A 19 -0.534 22.277 11.238 1.00 32.14 N ATOM 269 CZ ARG A 19 0.638 22.714 11.754 1.00 23.44 C ATOM 270 NH1 ARG A 19 1.728 22.779 11.008 1.00 73.14 N ATOM 271 NH2 ARG A 19 0.708 23.048 13.033 1.00 4.11 N ATOM 0 H ARG A 19 -0.306 21.031 7.192 1.00 24.13 H new ATOM 0 HA ARG A 19 -2.076 19.055 8.304 1.00 14.24 H new ATOM 0 HB2 ARG A 19 -2.408 21.967 7.566 1.00 35.13 H new ATOM 0 HB3 ARG A 19 -3.725 20.968 8.148 1.00 35.13 H new ATOM 0 HG2 ARG A 19 -2.922 22.228 10.019 1.00 51.32 H new ATOM 0 HG3 ARG A 19 -2.425 20.567 10.274 1.00 51.32 H new ATOM 0 HD2 ARG A 19 -0.123 21.114 9.525 1.00 12.13 H new ATOM 0 HD3 ARG A 19 -0.606 22.764 9.185 1.00 12.13 H new ATOM 0 HE ARG A 19 -1.315 22.193 11.888 1.00 32.14 H new ATOM 0 HH11 ARG A 19 1.693 22.497 10.028 1.00 73.14 H new ATOM 0 HH12 ARG A 19 2.604 23.111 11.412 1.00 73.14 H new ATOM 0 HH21 ARG A 19 -0.119 22.975 13.625 1.00 4.11 H new ATOM 0 HH22 ARG A 19 1.589 23.378 13.426 1.00 4.11 H new ATOM 285 N ALA A 20 -2.726 18.170 6.065 1.00 43.33 N ATOM 286 CA ALA A 20 -3.269 17.610 4.853 1.00 44.00 C ATOM 287 C ALA A 20 -4.767 17.365 4.990 1.00 41.21 C ATOM 288 O ALA A 20 -5.393 17.790 5.965 1.00 73.31 O ATOM 289 CB ALA A 20 -2.540 16.309 4.518 1.00 35.43 C ATOM 0 H ALA A 20 -2.410 17.471 6.738 1.00 43.33 H new ATOM 0 HA ALA A 20 -3.121 18.322 4.041 1.00 44.00 H new ATOM 0 HB1 ALA A 20 -2.952 15.887 3.601 1.00 35.43 H new ATOM 0 HB2 ALA A 20 -1.478 16.512 4.379 1.00 35.43 H new ATOM 0 HB3 ALA A 20 -2.669 15.599 5.335 1.00 35.43 H new ATOM 295 N ASP A 21 -5.328 16.634 4.029 1.00 22.43 N ATOM 296 CA ASP A 21 -6.769 16.282 3.978 1.00 62.44 C ATOM 297 C ASP A 21 -7.170 15.412 5.169 1.00 74.50 C ATOM 298 O ASP A 21 -8.358 15.164 5.424 1.00 24.41 O ATOM 299 CB ASP A 21 -7.089 15.541 2.674 1.00 32.31 C ATOM 300 CG ASP A 21 -6.850 16.373 1.433 1.00 24.22 C ATOM 301 OD1 ASP A 21 -5.676 16.600 1.064 1.00 23.42 O ATOM 302 OD2 ASP A 21 -7.834 16.798 0.785 1.00 51.31 O ATOM 0 H ASP A 21 -4.796 16.257 3.245 1.00 22.43 H new ATOM 0 HA ASP A 21 -7.338 17.211 4.020 1.00 62.44 H new ATOM 0 HB2 ASP A 21 -6.480 14.638 2.619 1.00 32.31 H new ATOM 0 HB3 ASP A 21 -8.131 15.222 2.693 1.00 32.31 H new ATOM 307 N LEU A 22 -6.171 14.966 5.900 1.00 71.45 N ATOM 308 CA LEU A 22 -6.337 14.175 7.104 1.00 71.14 C ATOM 309 C LEU A 22 -7.011 15.000 8.191 1.00 71.43 C ATOM 310 O LEU A 22 -7.563 14.459 9.137 1.00 54.40 O ATOM 311 CB LEU A 22 -4.983 13.729 7.610 1.00 50.41 C ATOM 312 CG LEU A 22 -4.107 12.979 6.623 1.00 3.42 C ATOM 313 CD1 LEU A 22 -2.810 12.636 7.281 1.00 31.23 C ATOM 314 CD2 LEU A 22 -4.792 11.722 6.117 1.00 34.22 C ATOM 0 H LEU A 22 -5.194 15.148 5.668 1.00 71.45 H new ATOM 0 HA LEU A 22 -6.956 13.310 6.866 1.00 71.14 H new ATOM 0 HB2 LEU A 22 -4.438 14.610 7.950 1.00 50.41 H new ATOM 0 HB3 LEU A 22 -5.137 13.093 8.482 1.00 50.41 H new ATOM 0 HG LEU A 22 -3.925 13.620 5.761 1.00 3.42 H new ATOM 0 HD11 LEU A 22 -2.176 12.097 6.577 1.00 31.23 H new ATOM 0 HD12 LEU A 22 -2.308 13.551 7.594 1.00 31.23 H new ATOM 0 HD13 LEU A 22 -2.999 12.009 8.153 1.00 31.23 H new ATOM 0 HD21 LEU A 22 -4.137 11.209 5.412 1.00 34.22 H new ATOM 0 HD22 LEU A 22 -5.008 11.062 6.957 1.00 34.22 H new ATOM 0 HD23 LEU A 22 -5.723 11.991 5.618 1.00 34.22 H new ATOM 326 N LEU A 23 -6.962 16.315 8.027 1.00 41.21 N ATOM 327 CA LEU A 23 -7.577 17.259 8.945 1.00 22.53 C ATOM 328 C LEU A 23 -9.085 16.962 9.006 1.00 42.34 C ATOM 329 O LEU A 23 -9.687 16.896 10.077 1.00 45.50 O ATOM 330 CB LEU A 23 -7.320 18.690 8.409 1.00 73.43 C ATOM 331 CG LEU A 23 -7.412 19.873 9.392 1.00 4.32 C ATOM 332 CD1 LEU A 23 -8.792 20.042 10.002 1.00 40.33 C ATOM 333 CD2 LEU A 23 -6.347 19.755 10.462 1.00 35.53 C ATOM 0 H LEU A 23 -6.487 16.760 7.242 1.00 41.21 H new ATOM 0 HA LEU A 23 -7.159 17.173 9.948 1.00 22.53 H new ATOM 0 HB2 LEU A 23 -6.324 18.704 7.967 1.00 73.43 H new ATOM 0 HB3 LEU A 23 -8.030 18.874 7.602 1.00 73.43 H new ATOM 0 HG LEU A 23 -7.232 20.778 8.812 1.00 4.32 H new ATOM 0 HD11 LEU A 23 -8.787 20.892 10.684 1.00 40.33 H new ATOM 0 HD12 LEU A 23 -9.521 20.216 9.210 1.00 40.33 H new ATOM 0 HD13 LEU A 23 -9.061 19.139 10.550 1.00 40.33 H new ATOM 0 HD21 LEU A 23 -6.426 20.598 11.148 1.00 35.53 H new ATOM 0 HD22 LEU A 23 -6.486 18.825 11.013 1.00 35.53 H new ATOM 0 HD23 LEU A 23 -5.362 19.757 9.996 1.00 35.53 H new ATOM 345 N LYS A 24 -9.666 16.731 7.850 1.00 0.01 N ATOM 346 CA LYS A 24 -11.074 16.435 7.769 1.00 51.14 C ATOM 347 C LYS A 24 -11.282 14.958 8.116 1.00 21.42 C ATOM 348 O LYS A 24 -12.296 14.576 8.691 1.00 61.42 O ATOM 349 CB LYS A 24 -11.600 16.772 6.347 1.00 72.01 C ATOM 350 CG LYS A 24 -13.127 16.898 6.217 1.00 4.35 C ATOM 351 CD LYS A 24 -13.870 15.573 6.272 1.00 1.24 C ATOM 352 CE LYS A 24 -15.359 15.803 6.425 1.00 22.22 C ATOM 353 NZ LYS A 24 -15.682 16.365 7.752 1.00 74.45 N ATOM 0 H LYS A 24 -9.182 16.743 6.952 1.00 0.01 H new ATOM 0 HA LYS A 24 -11.637 17.042 8.478 1.00 51.14 H new ATOM 0 HB2 LYS A 24 -11.147 17.709 6.024 1.00 72.01 H new ATOM 0 HB3 LYS A 24 -11.257 15.999 5.659 1.00 72.01 H new ATOM 0 HG2 LYS A 24 -13.496 17.542 7.015 1.00 4.35 H new ATOM 0 HG3 LYS A 24 -13.360 17.393 5.274 1.00 4.35 H new ATOM 0 HD2 LYS A 24 -13.676 15.003 5.363 1.00 1.24 H new ATOM 0 HD3 LYS A 24 -13.501 14.977 7.107 1.00 1.24 H new ATOM 0 HE2 LYS A 24 -15.706 16.482 5.646 1.00 22.22 H new ATOM 0 HE3 LYS A 24 -15.891 14.861 6.287 1.00 22.22 H new ATOM 0 HZ1 LYS A 24 -16.224 15.668 8.301 1.00 74.45 H new ATOM 0 HZ2 LYS A 24 -14.801 16.594 8.256 1.00 74.45 H new ATOM 0 HZ3 LYS A 24 -16.248 17.230 7.634 1.00 74.45 H new ATOM 367 N GLU A 25 -10.283 14.152 7.828 1.00 64.22 N ATOM 368 CA GLU A 25 -10.373 12.724 8.047 1.00 73.51 C ATOM 369 C GLU A 25 -10.418 12.407 9.548 1.00 41.11 C ATOM 370 O GLU A 25 -11.101 11.493 9.970 1.00 43.23 O ATOM 371 CB GLU A 25 -9.209 11.997 7.386 1.00 12.31 C ATOM 372 CG GLU A 25 -9.485 10.533 7.139 1.00 72.04 C ATOM 373 CD GLU A 25 -10.623 10.350 6.159 1.00 62.14 C ATOM 374 OE1 GLU A 25 -10.395 10.447 4.941 1.00 51.43 O ATOM 375 OE2 GLU A 25 -11.775 10.160 6.586 1.00 33.54 O ATOM 0 H GLU A 25 -9.393 14.464 7.439 1.00 64.22 H new ATOM 0 HA GLU A 25 -11.298 12.372 7.591 1.00 73.51 H new ATOM 0 HB2 GLU A 25 -8.978 12.482 6.437 1.00 12.31 H new ATOM 0 HB3 GLU A 25 -8.325 12.092 8.016 1.00 12.31 H new ATOM 0 HG2 GLU A 25 -8.587 10.051 6.752 1.00 72.04 H new ATOM 0 HG3 GLU A 25 -9.730 10.042 8.081 1.00 72.04 H new ATOM 382 N MET A 26 -9.722 13.202 10.357 1.00 52.24 N ATOM 383 CA MET A 26 -9.738 12.995 11.808 1.00 13.24 C ATOM 384 C MET A 26 -11.120 13.325 12.389 1.00 20.43 C ATOM 385 O MET A 26 -11.484 12.843 13.459 1.00 21.40 O ATOM 386 CB MET A 26 -8.628 13.778 12.541 1.00 44.33 C ATOM 387 CG MET A 26 -8.780 15.286 12.518 1.00 12.24 C ATOM 388 SD MET A 26 -7.456 16.131 13.399 1.00 3.22 S ATOM 389 CE MET A 26 -7.960 17.840 13.218 1.00 34.12 C ATOM 0 H MET A 26 -9.148 13.984 10.042 1.00 52.24 H new ATOM 0 HA MET A 26 -9.530 11.938 11.975 1.00 13.24 H new ATOM 0 HB2 MET A 26 -8.597 13.448 13.579 1.00 44.33 H new ATOM 0 HB3 MET A 26 -7.668 13.519 12.095 1.00 44.33 H new ATOM 0 HG2 MET A 26 -8.800 15.629 11.484 1.00 12.24 H new ATOM 0 HG3 MET A 26 -9.738 15.557 12.962 1.00 12.24 H new ATOM 0 HE1 MET A 26 -7.078 18.480 13.206 1.00 34.12 H new ATOM 0 HE2 MET A 26 -8.509 17.961 12.284 1.00 34.12 H new ATOM 0 HE3 MET A 26 -8.601 18.121 14.054 1.00 34.12 H new ATOM 399 N GLU A 27 -11.903 14.119 11.654 1.00 63.21 N ATOM 400 CA GLU A 27 -13.264 14.420 12.071 1.00 42.25 C ATOM 401 C GLU A 27 -14.111 13.178 11.821 1.00 3.04 C ATOM 402 O GLU A 27 -15.022 12.854 12.585 1.00 61.41 O ATOM 403 CB GLU A 27 -13.856 15.591 11.271 1.00 71.22 C ATOM 404 CG GLU A 27 -13.034 16.868 11.276 1.00 63.21 C ATOM 405 CD GLU A 27 -13.710 17.983 10.509 1.00 64.12 C ATOM 406 OE1 GLU A 27 -14.030 17.802 9.323 1.00 61.42 O ATOM 407 OE2 GLU A 27 -13.978 19.049 11.097 1.00 31.43 O ATOM 0 H GLU A 27 -11.618 14.558 10.779 1.00 63.21 H new ATOM 0 HA GLU A 27 -13.258 14.702 13.124 1.00 42.25 H new ATOM 0 HB2 GLU A 27 -13.991 15.271 10.238 1.00 71.22 H new ATOM 0 HB3 GLU A 27 -14.846 15.815 11.668 1.00 71.22 H new ATOM 0 HG2 GLU A 27 -12.866 17.186 12.305 1.00 63.21 H new ATOM 0 HG3 GLU A 27 -12.055 16.670 10.840 1.00 63.21 H new ATOM 414 N SER A 28 -13.753 12.467 10.767 1.00 54.44 N ATOM 415 CA SER A 28 -14.439 11.270 10.343 1.00 63.34 C ATOM 416 C SER A 28 -14.007 10.065 11.186 1.00 24.30 C ATOM 417 O SER A 28 -14.663 9.022 11.185 1.00 45.22 O ATOM 418 CB SER A 28 -14.112 11.030 8.884 1.00 23.50 C ATOM 419 OG SER A 28 -14.350 12.212 8.118 1.00 55.42 O ATOM 0 H SER A 28 -12.961 12.714 10.173 1.00 54.44 H new ATOM 0 HA SER A 28 -15.513 11.397 10.475 1.00 63.34 H new ATOM 0 HB2 SER A 28 -13.069 10.728 8.784 1.00 23.50 H new ATOM 0 HB3 SER A 28 -14.720 10.211 8.499 1.00 23.50 H new ATOM 0 HG SER A 28 -13.629 12.856 8.277 1.00 55.42 H new ATOM 425 N SER A 29 -12.909 10.231 11.914 1.00 21.13 N ATOM 426 CA SER A 29 -12.388 9.202 12.784 1.00 72.14 C ATOM 427 C SER A 29 -13.362 8.984 13.946 1.00 30.33 C ATOM 428 O SER A 29 -13.413 7.907 14.551 1.00 24.52 O ATOM 429 CB SER A 29 -11.003 9.618 13.301 1.00 31.34 C ATOM 430 OG SER A 29 -10.356 8.556 13.990 1.00 2.22 O ATOM 0 H SER A 29 -12.358 11.089 11.912 1.00 21.13 H new ATOM 0 HA SER A 29 -12.283 8.266 12.235 1.00 72.14 H new ATOM 0 HB2 SER A 29 -10.384 9.939 12.463 1.00 31.34 H new ATOM 0 HB3 SER A 29 -11.106 10.474 13.967 1.00 31.34 H new ATOM 0 HG SER A 29 -9.892 8.911 14.777 1.00 2.22 H new ATOM 436 N THR A 30 -14.118 10.015 14.248 1.00 4.42 N ATOM 437 CA THR A 30 -15.136 9.960 15.238 1.00 11.10 C ATOM 438 C THR A 30 -16.332 9.247 14.606 1.00 51.43 C ATOM 439 O THR A 30 -17.098 9.855 13.844 1.00 72.41 O ATOM 440 CB THR A 30 -15.542 11.389 15.610 1.00 33.51 C ATOM 441 OG1 THR A 30 -14.360 12.213 15.652 1.00 10.01 O ATOM 442 CG2 THR A 30 -16.220 11.429 16.967 1.00 71.14 C ATOM 0 H THR A 30 -14.030 10.926 13.797 1.00 4.42 H new ATOM 0 HA THR A 30 -14.795 9.439 16.132 1.00 11.10 H new ATOM 0 HB THR A 30 -16.244 11.757 14.862 1.00 33.51 H new ATOM 0 HG1 THR A 30 -14.237 12.653 14.785 1.00 10.01 H new ATOM 0 HG21 THR A 30 -16.497 12.456 17.205 1.00 71.14 H new ATOM 0 HG22 THR A 30 -17.115 10.807 16.945 1.00 71.14 H new ATOM 0 HG23 THR A 30 -15.535 11.053 17.727 1.00 71.14 H new ATOM 450 N GLY A 31 -16.447 7.965 14.858 1.00 10.02 N ATOM 451 CA GLY A 31 -17.479 7.185 14.228 1.00 64.24 C ATOM 452 C GLY A 31 -17.060 6.789 12.827 1.00 32.51 C ATOM 453 O GLY A 31 -17.711 7.150 11.847 1.00 44.13 O ATOM 0 H GLY A 31 -15.841 7.444 15.492 1.00 10.02 H new ATOM 0 HA2 GLY A 31 -17.682 6.292 14.820 1.00 64.24 H new ATOM 0 HA3 GLY A 31 -18.405 7.759 14.189 1.00 64.24 H new ATOM 457 N THR A 32 -15.960 6.090 12.739 1.00 24.04 N ATOM 458 CA THR A 32 -15.418 5.649 11.474 1.00 51.24 C ATOM 459 C THR A 32 -15.934 4.243 11.147 1.00 74.42 C ATOM 460 O THR A 32 -16.260 3.458 12.057 1.00 63.34 O ATOM 461 CB THR A 32 -13.856 5.667 11.485 1.00 52.44 C ATOM 462 OG1 THR A 32 -13.336 5.292 10.196 1.00 50.43 O ATOM 463 CG2 THR A 32 -13.305 4.723 12.548 1.00 2.44 C ATOM 0 H THR A 32 -15.407 5.806 13.548 1.00 24.04 H new ATOM 0 HA THR A 32 -15.751 6.342 10.702 1.00 51.24 H new ATOM 0 HB THR A 32 -13.540 6.683 11.719 1.00 52.44 H new ATOM 0 HG1 THR A 32 -12.409 4.989 10.293 1.00 50.43 H new ATOM 0 HG21 THR A 32 -12.216 4.755 12.534 1.00 2.44 H new ATOM 0 HG22 THR A 32 -13.664 5.031 13.530 1.00 2.44 H new ATOM 0 HG23 THR A 32 -13.641 3.707 12.341 1.00 2.44 H new ATOM 471 N ALA A 33 -16.064 3.947 9.876 1.00 51.02 N ATOM 472 CA ALA A 33 -16.498 2.644 9.446 1.00 41.10 C ATOM 473 C ALA A 33 -15.323 1.887 8.828 1.00 51.11 C ATOM 474 O ALA A 33 -14.920 2.177 7.685 1.00 45.20 O ATOM 475 CB ALA A 33 -17.654 2.756 8.458 1.00 31.43 C ATOM 0 H ALA A 33 -15.873 4.600 9.116 1.00 51.02 H new ATOM 0 HA ALA A 33 -16.857 2.088 10.312 1.00 41.10 H new ATOM 0 HB1 ALA A 33 -17.965 1.759 8.147 1.00 31.43 H new ATOM 0 HB2 ALA A 33 -18.492 3.265 8.934 1.00 31.43 H new ATOM 0 HB3 ALA A 33 -17.333 3.324 7.585 1.00 31.43 H new ATOM 481 N PRO A 34 -14.710 0.959 9.585 1.00 2.43 N ATOM 482 CA PRO A 34 -13.603 0.164 9.091 1.00 72.41 C ATOM 483 C PRO A 34 -14.087 -0.925 8.147 1.00 34.44 C ATOM 484 O PRO A 34 -15.175 -1.494 8.339 1.00 44.33 O ATOM 485 CB PRO A 34 -12.997 -0.446 10.357 1.00 33.01 C ATOM 486 CG PRO A 34 -14.136 -0.538 11.311 1.00 72.31 C ATOM 487 CD PRO A 34 -15.057 0.609 10.986 1.00 65.42 C ATOM 0 HA PRO A 34 -12.887 0.755 8.520 1.00 72.41 H new ATOM 0 HB2 PRO A 34 -12.567 -1.427 10.157 1.00 33.01 H new ATOM 0 HB3 PRO A 34 -12.197 0.178 10.754 1.00 33.01 H new ATOM 0 HG2 PRO A 34 -14.653 -1.492 11.208 1.00 72.31 H new ATOM 0 HG3 PRO A 34 -13.786 -0.475 12.341 1.00 72.31 H new ATOM 0 HD2 PRO A 34 -16.104 0.319 11.078 1.00 65.42 H new ATOM 0 HD3 PRO A 34 -14.899 1.452 11.659 1.00 65.42 H new ATOM 495 N ALA A 35 -13.314 -1.197 7.133 1.00 71.25 N ATOM 496 CA ALA A 35 -13.657 -2.220 6.177 1.00 50.21 C ATOM 497 C ALA A 35 -13.472 -3.606 6.781 1.00 51.31 C ATOM 498 O ALA A 35 -12.882 -3.749 7.869 1.00 41.33 O ATOM 499 CB ALA A 35 -12.825 -2.068 4.921 1.00 14.12 C ATOM 0 H ALA A 35 -12.432 -0.720 6.944 1.00 71.25 H new ATOM 0 HA ALA A 35 -14.708 -2.104 5.911 1.00 50.21 H new ATOM 0 HB1 ALA A 35 -13.095 -2.848 4.209 1.00 14.12 H new ATOM 0 HB2 ALA A 35 -13.012 -1.090 4.477 1.00 14.12 H new ATOM 0 HB3 ALA A 35 -11.768 -2.157 5.172 1.00 14.12 H new ATOM 505 N SER A 36 -14.000 -4.603 6.113 1.00 62.21 N ATOM 506 CA SER A 36 -13.878 -5.969 6.551 1.00 51.24 C ATOM 507 C SER A 36 -12.418 -6.434 6.443 1.00 42.32 C ATOM 508 O SER A 36 -11.826 -6.424 5.355 1.00 15.12 O ATOM 509 CB SER A 36 -14.797 -6.844 5.717 1.00 25.12 C ATOM 510 OG SER A 36 -16.117 -6.305 5.712 1.00 25.11 O ATOM 0 H SER A 36 -14.528 -4.488 5.248 1.00 62.21 H new ATOM 0 HA SER A 36 -14.173 -6.048 7.597 1.00 51.24 H new ATOM 0 HB2 SER A 36 -14.420 -6.912 4.697 1.00 25.12 H new ATOM 0 HB3 SER A 36 -14.811 -7.857 6.119 1.00 25.12 H new ATOM 0 HG SER A 36 -16.701 -6.876 5.170 1.00 25.11 H new ATOM 516 N THR A 37 -11.855 -6.791 7.566 1.00 14.13 N ATOM 517 CA THR A 37 -10.479 -7.205 7.671 1.00 64.03 C ATOM 518 C THR A 37 -10.387 -8.720 7.998 1.00 34.12 C ATOM 519 O THR A 37 -11.365 -9.459 7.787 1.00 53.23 O ATOM 520 CB THR A 37 -9.812 -6.361 8.772 1.00 43.42 C ATOM 521 OG1 THR A 37 -10.663 -6.345 9.937 1.00 15.54 O ATOM 522 CG2 THR A 37 -9.568 -4.933 8.295 1.00 43.02 C ATOM 0 H THR A 37 -12.352 -6.803 8.457 1.00 14.13 H new ATOM 0 HA THR A 37 -9.965 -7.049 6.723 1.00 64.03 H new ATOM 0 HB THR A 37 -8.848 -6.807 9.018 1.00 43.42 H new ATOM 0 HG1 THR A 37 -10.242 -5.810 10.642 1.00 15.54 H new ATOM 0 HG21 THR A 37 -9.096 -4.359 9.092 1.00 43.02 H new ATOM 0 HG22 THR A 37 -8.915 -4.947 7.423 1.00 43.02 H new ATOM 0 HG23 THR A 37 -10.519 -4.471 8.029 1.00 43.02 H new ATOM 530 N GLY A 38 -9.232 -9.172 8.492 1.00 23.22 N ATOM 531 CA GLY A 38 -9.044 -10.579 8.832 1.00 10.55 C ATOM 532 C GLY A 38 -7.623 -11.037 8.545 1.00 22.55 C ATOM 533 O GLY A 38 -7.353 -11.626 7.504 1.00 14.25 O ATOM 0 H GLY A 38 -8.417 -8.584 8.664 1.00 23.22 H new ATOM 0 HA2 GLY A 38 -9.271 -10.733 9.887 1.00 10.55 H new ATOM 0 HA3 GLY A 38 -9.746 -11.189 8.263 1.00 10.55 H new ATOM 537 N ALA A 39 -6.703 -10.733 9.443 1.00 0.42 N ATOM 538 CA ALA A 39 -5.297 -11.080 9.244 1.00 44.21 C ATOM 539 C ALA A 39 -4.932 -12.432 9.833 1.00 3.32 C ATOM 540 O ALA A 39 -4.011 -13.083 9.351 1.00 32.23 O ATOM 541 CB ALA A 39 -4.388 -10.011 9.816 1.00 65.52 C ATOM 0 H ALA A 39 -6.898 -10.247 10.318 1.00 0.42 H new ATOM 0 HA ALA A 39 -5.151 -11.143 8.166 1.00 44.21 H new ATOM 0 HB1 ALA A 39 -3.348 -10.294 9.655 1.00 65.52 H new ATOM 0 HB2 ALA A 39 -4.587 -9.061 9.320 1.00 65.52 H new ATOM 0 HB3 ALA A 39 -4.575 -9.909 10.885 1.00 65.52 H new ATOM 547 N GLU A 40 -5.689 -12.879 10.828 1.00 43.03 N ATOM 548 CA GLU A 40 -5.347 -14.084 11.609 1.00 71.41 C ATOM 549 C GLU A 40 -5.458 -15.403 10.829 1.00 10.12 C ATOM 550 O GLU A 40 -5.230 -16.482 11.395 1.00 4.23 O ATOM 551 CB GLU A 40 -6.177 -14.163 12.885 1.00 72.22 C ATOM 552 CG GLU A 40 -7.671 -14.201 12.642 1.00 45.25 C ATOM 553 CD GLU A 40 -8.447 -14.404 13.901 1.00 5.42 C ATOM 554 OE1 GLU A 40 -8.702 -13.423 14.621 1.00 72.33 O ATOM 555 OE2 GLU A 40 -8.827 -15.555 14.187 1.00 73.02 O ATOM 0 H GLU A 40 -6.554 -12.427 11.123 1.00 43.03 H new ATOM 0 HA GLU A 40 -4.292 -13.967 11.857 1.00 71.41 H new ATOM 0 HB2 GLU A 40 -5.886 -15.054 13.442 1.00 72.22 H new ATOM 0 HB3 GLU A 40 -5.942 -13.304 13.513 1.00 72.22 H new ATOM 0 HG2 GLU A 40 -7.984 -13.269 12.172 1.00 45.25 H new ATOM 0 HG3 GLU A 40 -7.902 -15.004 11.942 1.00 45.25 H new ATOM 562 N ASN A 41 -5.823 -15.334 9.577 1.00 72.42 N ATOM 563 CA ASN A 41 -5.828 -16.515 8.747 1.00 2.14 C ATOM 564 C ASN A 41 -4.451 -16.687 8.139 1.00 21.21 C ATOM 565 O ASN A 41 -3.923 -17.796 8.099 1.00 45.21 O ATOM 566 CB ASN A 41 -6.897 -16.433 7.637 1.00 3.04 C ATOM 567 CG ASN A 41 -6.900 -17.662 6.724 1.00 53.31 C ATOM 568 OD1 ASN A 41 -7.554 -18.659 7.012 1.00 62.22 O ATOM 569 ND2 ASN A 41 -6.217 -17.584 5.610 1.00 51.40 N ATOM 0 H ASN A 41 -6.120 -14.478 9.108 1.00 72.42 H new ATOM 0 HA ASN A 41 -6.078 -17.376 9.367 1.00 2.14 H new ATOM 0 HB2 ASN A 41 -7.881 -16.323 8.094 1.00 3.04 H new ATOM 0 HB3 ASN A 41 -6.723 -15.540 7.036 1.00 3.04 H new ATOM 0 HD21 ASN A 41 -6.219 -18.365 4.954 1.00 51.40 H new ATOM 0 HD22 ASN A 41 -5.682 -16.742 5.397 1.00 51.40 H new ATOM 576 N LEU A 42 -3.848 -15.551 7.753 1.00 72.52 N ATOM 577 CA LEU A 42 -2.555 -15.503 7.064 1.00 44.14 C ATOM 578 C LEU A 42 -2.546 -16.396 5.817 1.00 14.12 C ATOM 579 O LEU A 42 -2.045 -17.517 5.858 1.00 44.13 O ATOM 580 CB LEU A 42 -1.387 -15.827 8.006 1.00 44.42 C ATOM 581 CG LEU A 42 -1.112 -14.817 9.131 1.00 23.21 C ATOM 582 CD1 LEU A 42 0.031 -15.296 10.005 1.00 2.15 C ATOM 583 CD2 LEU A 42 -0.791 -13.439 8.559 1.00 14.30 C ATOM 0 H LEU A 42 -4.253 -14.629 7.915 1.00 72.52 H new ATOM 0 HA LEU A 42 -2.412 -14.476 6.728 1.00 44.14 H new ATOM 0 HB2 LEU A 42 -1.575 -16.800 8.460 1.00 44.42 H new ATOM 0 HB3 LEU A 42 -0.482 -15.924 7.406 1.00 44.42 H new ATOM 0 HG LEU A 42 -2.013 -14.736 9.740 1.00 23.21 H new ATOM 0 HD11 LEU A 42 0.213 -14.569 10.797 1.00 2.15 H new ATOM 0 HD12 LEU A 42 -0.228 -16.258 10.448 1.00 2.15 H new ATOM 0 HD13 LEU A 42 0.931 -15.406 9.400 1.00 2.15 H new ATOM 0 HD21 LEU A 42 -0.600 -12.742 9.375 1.00 14.30 H new ATOM 0 HD22 LEU A 42 0.093 -13.505 7.924 1.00 14.30 H new ATOM 0 HD23 LEU A 42 -1.636 -13.084 7.969 1.00 14.30 H new ATOM 595 N PRO A 43 -3.122 -15.892 4.691 1.00 75.50 N ATOM 596 CA PRO A 43 -3.314 -16.671 3.451 1.00 62.31 C ATOM 597 C PRO A 43 -2.046 -17.349 2.918 1.00 14.04 C ATOM 598 O PRO A 43 -1.962 -18.571 2.893 1.00 61.04 O ATOM 599 CB PRO A 43 -3.846 -15.645 2.440 1.00 2.41 C ATOM 600 CG PRO A 43 -3.591 -14.314 3.063 1.00 43.13 C ATOM 601 CD PRO A 43 -3.639 -14.521 4.538 1.00 60.01 C ATOM 0 HA PRO A 43 -3.990 -17.506 3.635 1.00 62.31 H new ATOM 0 HB2 PRO A 43 -3.335 -15.735 1.481 1.00 2.41 H new ATOM 0 HB3 PRO A 43 -4.909 -15.794 2.250 1.00 2.41 H new ATOM 0 HG2 PRO A 43 -2.621 -13.922 2.758 1.00 43.13 H new ATOM 0 HG3 PRO A 43 -4.341 -13.588 2.748 1.00 43.13 H new ATOM 0 HD2 PRO A 43 -3.023 -13.795 5.069 1.00 60.01 H new ATOM 0 HD3 PRO A 43 -4.653 -14.425 4.927 1.00 60.01 H new ATOM 609 N ALA A 44 -1.089 -16.564 2.465 1.00 12.33 N ATOM 610 CA ALA A 44 0.154 -17.128 1.963 1.00 64.51 C ATOM 611 C ALA A 44 1.364 -16.426 2.566 1.00 2.03 C ATOM 612 O ALA A 44 2.508 -16.769 2.274 1.00 13.12 O ATOM 613 CB ALA A 44 0.188 -17.057 0.445 1.00 2.32 C ATOM 0 H ALA A 44 -1.143 -15.546 2.433 1.00 12.33 H new ATOM 0 HA ALA A 44 0.198 -18.175 2.264 1.00 64.51 H new ATOM 0 HB1 ALA A 44 1.124 -17.482 0.082 1.00 2.32 H new ATOM 0 HB2 ALA A 44 -0.650 -17.621 0.036 1.00 2.32 H new ATOM 0 HB3 ALA A 44 0.115 -16.017 0.128 1.00 2.32 H new ATOM 619 N GLY A 45 1.111 -15.436 3.405 1.00 11.23 N ATOM 620 CA GLY A 45 2.204 -14.701 4.029 1.00 62.32 C ATOM 621 C GLY A 45 2.714 -13.565 3.162 1.00 42.02 C ATOM 622 O GLY A 45 3.718 -12.934 3.484 1.00 63.41 O ATOM 0 H GLY A 45 0.176 -15.124 3.668 1.00 11.23 H new ATOM 0 HA2 GLY A 45 1.868 -14.300 4.985 1.00 62.32 H new ATOM 0 HA3 GLY A 45 3.024 -15.387 4.241 1.00 62.32 H new ATOM 626 N SER A 46 2.023 -13.321 2.071 1.00 30.31 N ATOM 627 CA SER A 46 2.353 -12.256 1.158 1.00 24.54 C ATOM 628 C SER A 46 1.090 -11.446 0.899 1.00 0.21 C ATOM 629 O SER A 46 -0.035 -11.953 1.111 1.00 71.25 O ATOM 630 CB SER A 46 2.905 -12.835 -0.143 1.00 54.24 C ATOM 631 OG SER A 46 4.012 -13.696 0.113 1.00 4.14 O ATOM 0 H SER A 46 1.206 -13.865 1.792 1.00 30.31 H new ATOM 0 HA SER A 46 3.120 -11.611 1.586 1.00 24.54 H new ATOM 0 HB2 SER A 46 2.121 -13.388 -0.661 1.00 54.24 H new ATOM 0 HB3 SER A 46 3.214 -12.025 -0.804 1.00 54.24 H new ATOM 0 HG SER A 46 4.447 -13.930 -0.733 1.00 4.14 H new ATOM 637 N ALA A 47 1.251 -10.219 0.471 1.00 25.24 N ATOM 638 CA ALA A 47 0.136 -9.329 0.281 1.00 73.34 C ATOM 639 C ALA A 47 0.451 -8.323 -0.783 1.00 73.35 C ATOM 640 O ALA A 47 1.609 -8.087 -1.079 1.00 24.13 O ATOM 641 CB ALA A 47 -0.181 -8.620 1.572 1.00 64.05 C ATOM 0 H ALA A 47 2.158 -9.810 0.245 1.00 25.24 H new ATOM 0 HA ALA A 47 -0.729 -9.914 -0.030 1.00 73.34 H new ATOM 0 HB1 ALA A 47 -1.026 -7.948 1.420 1.00 64.05 H new ATOM 0 HB2 ALA A 47 -0.434 -9.354 2.337 1.00 64.05 H new ATOM 0 HB3 ALA A 47 0.687 -8.044 1.894 1.00 64.05 H new ATOM 647 N LEU A 48 -0.563 -7.767 -1.372 1.00 25.22 N ATOM 648 CA LEU A 48 -0.410 -6.754 -2.365 1.00 11.35 C ATOM 649 C LEU A 48 -1.152 -5.497 -1.952 1.00 74.02 C ATOM 650 O LEU A 48 -2.234 -5.566 -1.358 1.00 12.24 O ATOM 651 CB LEU A 48 -0.787 -7.239 -3.825 1.00 35.12 C ATOM 652 CG LEU A 48 -2.222 -7.790 -4.168 1.00 15.00 C ATOM 653 CD1 LEU A 48 -2.632 -9.003 -3.342 1.00 30.21 C ATOM 654 CD2 LEU A 48 -3.300 -6.706 -4.155 1.00 61.14 C ATOM 0 H LEU A 48 -1.533 -8.009 -1.172 1.00 25.22 H new ATOM 0 HA LEU A 48 0.652 -6.515 -2.424 1.00 11.35 H new ATOM 0 HB2 LEU A 48 -0.603 -6.399 -4.495 1.00 35.12 H new ATOM 0 HB3 LEU A 48 -0.076 -8.021 -4.092 1.00 35.12 H new ATOM 0 HG LEU A 48 -2.138 -8.142 -5.196 1.00 15.00 H new ATOM 0 HD11 LEU A 48 -3.631 -9.323 -3.637 1.00 30.21 H new ATOM 0 HD12 LEU A 48 -1.926 -9.815 -3.513 1.00 30.21 H new ATOM 0 HD13 LEU A 48 -2.633 -8.740 -2.284 1.00 30.21 H new ATOM 0 HD21 LEU A 48 -4.265 -7.150 -4.399 1.00 61.14 H new ATOM 0 HD22 LEU A 48 -3.349 -6.253 -3.165 1.00 61.14 H new ATOM 0 HD23 LEU A 48 -3.056 -5.941 -4.892 1.00 61.14 H new ATOM 666 N LEU A 49 -0.556 -4.375 -2.198 1.00 1.41 N ATOM 667 CA LEU A 49 -1.188 -3.120 -1.922 1.00 74.44 C ATOM 668 C LEU A 49 -1.476 -2.429 -3.225 1.00 2.12 C ATOM 669 O LEU A 49 -0.660 -2.479 -4.155 1.00 20.43 O ATOM 670 CB LEU A 49 -0.356 -2.245 -0.921 1.00 75.32 C ATOM 671 CG LEU A 49 1.109 -1.860 -1.279 1.00 41.43 C ATOM 672 CD1 LEU A 49 1.189 -0.749 -2.320 1.00 23.41 C ATOM 673 CD2 LEU A 49 1.873 -1.463 -0.025 1.00 54.40 C ATOM 0 H LEU A 49 0.381 -4.300 -2.595 1.00 1.41 H new ATOM 0 HA LEU A 49 -2.135 -3.292 -1.410 1.00 74.44 H new ATOM 0 HB2 LEU A 49 -0.908 -1.319 -0.759 1.00 75.32 H new ATOM 0 HB3 LEU A 49 -0.332 -2.772 0.033 1.00 75.32 H new ATOM 0 HG LEU A 49 1.569 -2.744 -1.721 1.00 41.43 H new ATOM 0 HD11 LEU A 49 2.234 -0.522 -2.531 1.00 23.41 H new ATOM 0 HD12 LEU A 49 0.696 -1.073 -3.237 1.00 23.41 H new ATOM 0 HD13 LEU A 49 0.694 0.144 -1.938 1.00 23.41 H new ATOM 0 HD21 LEU A 49 2.896 -1.196 -0.291 1.00 54.40 H new ATOM 0 HD22 LEU A 49 1.385 -0.608 0.443 1.00 54.40 H new ATOM 0 HD23 LEU A 49 1.886 -2.300 0.673 1.00 54.40 H new ATOM 685 N VAL A 50 -2.625 -1.858 -3.333 1.00 22.51 N ATOM 686 CA VAL A 50 -3.000 -1.171 -4.535 1.00 55.44 C ATOM 687 C VAL A 50 -3.562 0.193 -4.203 1.00 23.15 C ATOM 688 O VAL A 50 -4.367 0.338 -3.265 1.00 72.02 O ATOM 689 CB VAL A 50 -4.009 -2.009 -5.395 1.00 12.43 C ATOM 690 CG1 VAL A 50 -5.275 -2.351 -4.617 1.00 44.15 C ATOM 691 CG2 VAL A 50 -4.357 -1.302 -6.705 1.00 51.35 C ATOM 0 H VAL A 50 -3.333 -1.850 -2.599 1.00 22.51 H new ATOM 0 HA VAL A 50 -2.104 -1.039 -5.141 1.00 55.44 H new ATOM 0 HB VAL A 50 -3.507 -2.945 -5.639 1.00 12.43 H new ATOM 0 HG11 VAL A 50 -5.946 -2.932 -5.250 1.00 44.15 H new ATOM 0 HG12 VAL A 50 -5.013 -2.935 -3.735 1.00 44.15 H new ATOM 0 HG13 VAL A 50 -5.772 -1.431 -4.309 1.00 44.15 H new ATOM 0 HG21 VAL A 50 -5.058 -1.913 -7.273 1.00 51.35 H new ATOM 0 HG22 VAL A 50 -4.812 -0.336 -6.487 1.00 51.35 H new ATOM 0 HG23 VAL A 50 -3.449 -1.152 -7.290 1.00 51.35 H new ATOM 701 N VAL A 51 -3.109 1.195 -4.912 1.00 42.45 N ATOM 702 CA VAL A 51 -3.644 2.512 -4.737 1.00 10.52 C ATOM 703 C VAL A 51 -4.961 2.533 -5.483 1.00 15.42 C ATOM 704 O VAL A 51 -5.003 2.365 -6.711 1.00 55.44 O ATOM 705 CB VAL A 51 -2.700 3.587 -5.305 1.00 24.03 C ATOM 706 CG1 VAL A 51 -3.181 4.982 -4.923 1.00 0.11 C ATOM 707 CG2 VAL A 51 -1.258 3.364 -4.853 1.00 2.23 C ATOM 0 H VAL A 51 -2.372 1.120 -5.613 1.00 42.45 H new ATOM 0 HA VAL A 51 -3.770 2.735 -3.678 1.00 10.52 H new ATOM 0 HB VAL A 51 -2.718 3.503 -6.392 1.00 24.03 H new ATOM 0 HG11 VAL A 51 -2.500 5.727 -5.334 1.00 0.11 H new ATOM 0 HG12 VAL A 51 -4.181 5.144 -5.324 1.00 0.11 H new ATOM 0 HG13 VAL A 51 -3.206 5.074 -3.837 1.00 0.11 H new ATOM 0 HG21 VAL A 51 -0.621 4.142 -5.273 1.00 2.23 H new ATOM 0 HG22 VAL A 51 -1.208 3.402 -3.765 1.00 2.23 H new ATOM 0 HG23 VAL A 51 -0.915 2.388 -5.198 1.00 2.23 H new ATOM 717 N LYS A 52 -6.021 2.745 -4.749 1.00 73.32 N ATOM 718 CA LYS A 52 -7.357 2.639 -5.283 1.00 41.13 C ATOM 719 C LYS A 52 -7.782 3.944 -5.907 1.00 43.34 C ATOM 720 O LYS A 52 -8.488 3.971 -6.913 1.00 14.11 O ATOM 721 CB LYS A 52 -8.329 2.236 -4.150 1.00 13.03 C ATOM 722 CG LYS A 52 -9.780 1.998 -4.591 1.00 43.14 C ATOM 723 CD LYS A 52 -9.881 0.883 -5.631 1.00 33.30 C ATOM 724 CE LYS A 52 -9.450 -0.468 -5.082 1.00 45.40 C ATOM 725 NZ LYS A 52 -10.382 -0.978 -4.065 1.00 35.13 N ATOM 0 H LYS A 52 -5.984 2.997 -3.761 1.00 73.32 H new ATOM 0 HA LYS A 52 -7.375 1.874 -6.060 1.00 41.13 H new ATOM 0 HB2 LYS A 52 -7.955 1.327 -3.678 1.00 13.03 H new ATOM 0 HB3 LYS A 52 -8.320 3.017 -3.390 1.00 13.03 H new ATOM 0 HG2 LYS A 52 -10.386 1.741 -3.722 1.00 43.14 H new ATOM 0 HG3 LYS A 52 -10.190 2.919 -5.005 1.00 43.14 H new ATOM 0 HD2 LYS A 52 -10.909 0.815 -5.987 1.00 33.30 H new ATOM 0 HD3 LYS A 52 -9.261 1.136 -6.491 1.00 33.30 H new ATOM 0 HE2 LYS A 52 -9.380 -1.185 -5.900 1.00 45.40 H new ATOM 0 HE3 LYS A 52 -8.454 -0.381 -4.648 1.00 45.40 H new ATOM 0 HZ1 LYS A 52 -10.005 -1.858 -3.659 1.00 35.13 H new ATOM 0 HZ2 LYS A 52 -10.495 -0.270 -3.312 1.00 35.13 H new ATOM 0 HZ3 LYS A 52 -11.306 -1.167 -4.504 1.00 35.13 H new ATOM 739 N ARG A 53 -7.325 5.005 -5.327 1.00 71.23 N ATOM 740 CA ARG A 53 -7.704 6.328 -5.748 1.00 1.10 C ATOM 741 C ARG A 53 -6.611 7.275 -5.358 1.00 33.20 C ATOM 742 O ARG A 53 -6.038 7.116 -4.289 1.00 62.12 O ATOM 743 CB ARG A 53 -9.033 6.730 -5.070 1.00 41.13 C ATOM 744 CG ARG A 53 -9.489 8.155 -5.349 1.00 10.14 C ATOM 745 CD ARG A 53 -9.714 8.403 -6.825 1.00 24.13 C ATOM 746 NE ARG A 53 -10.049 9.798 -7.096 1.00 50.35 N ATOM 747 CZ ARG A 53 -9.916 10.399 -8.287 1.00 31.01 C ATOM 748 NH1 ARG A 53 -9.441 9.722 -9.329 1.00 32.45 N ATOM 749 NH2 ARG A 53 -10.250 11.675 -8.429 1.00 11.04 N ATOM 0 H ARG A 53 -6.674 4.986 -4.542 1.00 71.23 H new ATOM 0 HA ARG A 53 -7.849 6.357 -6.828 1.00 1.10 H new ATOM 0 HB2 ARG A 53 -9.814 6.043 -5.398 1.00 41.13 H new ATOM 0 HB3 ARG A 53 -8.928 6.602 -3.993 1.00 41.13 H new ATOM 0 HG2 ARG A 53 -10.412 8.353 -4.804 1.00 10.14 H new ATOM 0 HG3 ARG A 53 -8.741 8.854 -4.974 1.00 10.14 H new ATOM 0 HD2 ARG A 53 -8.817 8.130 -7.380 1.00 24.13 H new ATOM 0 HD3 ARG A 53 -10.518 7.760 -7.183 1.00 24.13 H new ATOM 0 HE ARG A 53 -10.411 10.356 -6.323 1.00 50.35 H new ATOM 0 HH11 ARG A 53 -9.177 8.743 -9.223 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -9.341 10.182 -10.234 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -10.609 12.200 -7.631 1.00 11.04 H new ATOM 0 HH22 ARG A 53 -10.148 12.131 -9.336 1.00 11.04 H new ATOM 763 N GLY A 54 -6.300 8.216 -6.224 1.00 10.23 N ATOM 764 CA GLY A 54 -5.284 9.191 -5.940 1.00 52.02 C ATOM 765 C GLY A 54 -4.475 9.513 -7.168 1.00 3.05 C ATOM 766 O GLY A 54 -4.751 8.971 -8.230 1.00 72.43 O ATOM 0 H GLY A 54 -6.744 8.321 -7.136 1.00 10.23 H new ATOM 0 HA2 GLY A 54 -5.747 10.101 -5.558 1.00 52.02 H new ATOM 0 HA3 GLY A 54 -4.626 8.815 -5.157 1.00 52.02 H new ATOM 770 N PRO A 55 -3.473 10.387 -7.073 1.00 11.24 N ATOM 771 CA PRO A 55 -2.622 10.730 -8.214 1.00 74.34 C ATOM 772 C PRO A 55 -1.710 9.557 -8.610 1.00 63.31 C ATOM 773 O PRO A 55 -1.481 9.300 -9.786 1.00 55.41 O ATOM 774 CB PRO A 55 -1.800 11.922 -7.707 1.00 62.45 C ATOM 775 CG PRO A 55 -2.507 12.393 -6.480 1.00 71.04 C ATOM 776 CD PRO A 55 -3.116 11.167 -5.880 1.00 1.40 C ATOM 0 HA PRO A 55 -3.198 10.961 -9.110 1.00 74.34 H new ATOM 0 HB2 PRO A 55 -0.775 11.626 -7.482 1.00 62.45 H new ATOM 0 HB3 PRO A 55 -1.746 12.711 -8.457 1.00 62.45 H new ATOM 0 HG2 PRO A 55 -1.815 12.868 -5.785 1.00 71.04 H new ATOM 0 HG3 PRO A 55 -3.270 13.132 -6.725 1.00 71.04 H new ATOM 0 HD2 PRO A 55 -2.413 10.634 -5.240 1.00 1.40 H new ATOM 0 HD3 PRO A 55 -3.988 11.402 -5.270 1.00 1.40 H new ATOM 784 N ASN A 56 -1.226 8.824 -7.612 1.00 72.43 N ATOM 785 CA ASN A 56 -0.379 7.658 -7.829 1.00 24.30 C ATOM 786 C ASN A 56 -1.223 6.369 -7.944 1.00 24.34 C ATOM 787 O ASN A 56 -0.705 5.253 -7.858 1.00 52.42 O ATOM 788 CB ASN A 56 0.652 7.560 -6.687 1.00 52.45 C ATOM 789 CG ASN A 56 0.016 7.591 -5.300 1.00 74.24 C ATOM 790 OD1 ASN A 56 -0.297 6.581 -4.729 1.00 62.23 O ATOM 791 ND2 ASN A 56 -0.206 8.790 -4.763 1.00 53.21 N ATOM 0 H ASN A 56 -1.411 9.023 -6.629 1.00 72.43 H new ATOM 0 HA ASN A 56 0.153 7.771 -8.774 1.00 24.30 H new ATOM 0 HB2 ASN A 56 1.221 6.637 -6.798 1.00 52.45 H new ATOM 0 HB3 ASN A 56 1.360 8.384 -6.774 1.00 52.45 H new ATOM 0 HD21 ASN A 56 -0.651 8.865 -3.848 1.00 53.21 H new ATOM 0 HD22 ASN A 56 0.069 9.633 -5.267 1.00 53.21 H new ATOM 798 N ALA A 57 -2.511 6.545 -8.214 1.00 53.34 N ATOM 799 CA ALA A 57 -3.453 5.453 -8.359 1.00 34.42 C ATOM 800 C ALA A 57 -3.169 4.658 -9.599 1.00 1.34 C ATOM 801 O ALA A 57 -2.701 5.202 -10.611 1.00 75.04 O ATOM 802 CB ALA A 57 -4.882 5.936 -8.364 1.00 14.05 C ATOM 0 H ALA A 57 -2.932 7.466 -8.339 1.00 53.34 H new ATOM 0 HA ALA A 57 -3.324 4.806 -7.491 1.00 34.42 H new ATOM 0 HB1 ALA A 57 -5.553 5.085 -8.475 1.00 14.05 H new ATOM 0 HB2 ALA A 57 -5.096 6.448 -7.426 1.00 14.05 H new ATOM 0 HB3 ALA A 57 -5.030 6.625 -9.195 1.00 14.05 H new ATOM 808 N GLY A 58 -3.393 3.385 -9.514 1.00 50.41 N ATOM 809 CA GLY A 58 -3.128 2.522 -10.618 1.00 32.45 C ATOM 810 C GLY A 58 -1.930 1.683 -10.340 1.00 52.24 C ATOM 811 O GLY A 58 -1.679 0.706 -11.022 1.00 12.40 O ATOM 0 H GLY A 58 -3.761 2.919 -8.685 1.00 50.41 H new ATOM 0 HA2 GLY A 58 -3.992 1.884 -10.806 1.00 32.45 H new ATOM 0 HA3 GLY A 58 -2.966 3.113 -11.520 1.00 32.45 H new ATOM 815 N ALA A 59 -1.178 2.069 -9.336 1.00 61.54 N ATOM 816 CA ALA A 59 -0.010 1.312 -8.944 1.00 72.15 C ATOM 817 C ALA A 59 -0.393 0.224 -7.949 1.00 41.24 C ATOM 818 O ALA A 59 -1.184 0.469 -7.018 1.00 42.42 O ATOM 819 CB ALA A 59 1.040 2.229 -8.341 1.00 71.40 C ATOM 0 H ALA A 59 -1.353 2.903 -8.775 1.00 61.54 H new ATOM 0 HA ALA A 59 0.410 0.841 -9.833 1.00 72.15 H new ATOM 0 HB1 ALA A 59 1.912 1.643 -8.052 1.00 71.40 H new ATOM 0 HB2 ALA A 59 1.334 2.978 -9.076 1.00 71.40 H new ATOM 0 HB3 ALA A 59 0.628 2.725 -7.462 1.00 71.40 H new ATOM 825 N ARG A 60 0.122 -0.971 -8.159 1.00 1.42 N ATOM 826 CA ARG A 60 -0.108 -2.066 -7.249 1.00 44.23 C ATOM 827 C ARG A 60 1.220 -2.762 -7.015 1.00 32.43 C ATOM 828 O ARG A 60 2.027 -2.898 -7.949 1.00 73.24 O ATOM 829 CB ARG A 60 -1.169 -3.058 -7.790 1.00 73.03 C ATOM 830 CG ARG A 60 -0.696 -3.991 -8.897 1.00 44.33 C ATOM 831 CD ARG A 60 -1.831 -4.848 -9.425 1.00 12.20 C ATOM 832 NE ARG A 60 -1.340 -5.947 -10.269 1.00 62.01 N ATOM 833 CZ ARG A 60 -1.700 -6.185 -11.533 1.00 1.45 C ATOM 834 NH1 ARG A 60 -2.477 -5.336 -12.186 1.00 52.41 N ATOM 835 NH2 ARG A 60 -1.264 -7.273 -12.148 1.00 43.05 N ATOM 0 H ARG A 60 0.707 -1.206 -8.961 1.00 1.42 H new ATOM 0 HA ARG A 60 -0.506 -1.680 -6.310 1.00 44.23 H new ATOM 0 HB2 ARG A 60 -1.531 -3.664 -6.959 1.00 73.03 H new ATOM 0 HB3 ARG A 60 -2.019 -2.486 -8.161 1.00 73.03 H new ATOM 0 HG2 ARG A 60 -0.272 -3.404 -9.712 1.00 44.33 H new ATOM 0 HG3 ARG A 60 0.100 -4.632 -8.518 1.00 44.33 H new ATOM 0 HD2 ARG A 60 -2.397 -5.258 -8.588 1.00 12.20 H new ATOM 0 HD3 ARG A 60 -2.518 -4.227 -10.000 1.00 12.20 H new ATOM 0 HE ARG A 60 -0.663 -6.586 -9.851 1.00 62.01 H new ATOM 0 HH11 ARG A 60 -2.808 -4.489 -11.724 1.00 52.41 H new ATOM 0 HH12 ARG A 60 -2.745 -5.529 -13.151 1.00 52.41 H new ATOM 0 HH21 ARG A 60 -0.655 -7.927 -11.657 1.00 43.05 H new ATOM 0 HH22 ARG A 60 -1.537 -7.457 -13.113 1.00 43.05 H new ATOM 849 N PHE A 61 1.477 -3.143 -5.804 1.00 44.25 N ATOM 850 CA PHE A 61 2.726 -3.779 -5.468 1.00 34.24 C ATOM 851 C PHE A 61 2.488 -5.024 -4.642 1.00 63.51 C ATOM 852 O PHE A 61 1.836 -4.963 -3.596 1.00 54.12 O ATOM 853 CB PHE A 61 3.654 -2.818 -4.699 1.00 24.43 C ATOM 854 CG PHE A 61 4.115 -1.603 -5.472 1.00 14.52 C ATOM 855 CD1 PHE A 61 5.279 -1.644 -6.222 1.00 71.03 C ATOM 856 CD2 PHE A 61 3.392 -0.418 -5.434 1.00 63.32 C ATOM 857 CE1 PHE A 61 5.713 -0.533 -6.921 1.00 72.34 C ATOM 858 CE2 PHE A 61 3.821 0.696 -6.129 1.00 41.52 C ATOM 859 CZ PHE A 61 4.984 0.639 -6.873 1.00 4.02 C ATOM 0 H PHE A 61 0.836 -3.026 -5.019 1.00 44.25 H new ATOM 0 HA PHE A 61 3.212 -4.058 -6.403 1.00 34.24 H new ATOM 0 HB2 PHE A 61 3.136 -2.481 -3.801 1.00 24.43 H new ATOM 0 HB3 PHE A 61 4.533 -3.374 -4.371 1.00 24.43 H new ATOM 0 HD1 PHE A 61 5.855 -2.556 -6.261 1.00 71.03 H new ATOM 0 HD2 PHE A 61 2.483 -0.367 -4.854 1.00 63.32 H new ATOM 0 HE1 PHE A 61 6.621 -0.582 -7.504 1.00 72.34 H new ATOM 0 HE2 PHE A 61 3.248 1.611 -6.091 1.00 41.52 H new ATOM 0 HZ PHE A 61 5.322 1.509 -7.416 1.00 4.02 H new ATOM 869 N LEU A 62 2.980 -6.140 -5.123 1.00 11.53 N ATOM 870 CA LEU A 62 2.914 -7.391 -4.403 1.00 1.10 C ATOM 871 C LEU A 62 4.160 -7.479 -3.552 1.00 11.41 C ATOM 872 O LEU A 62 5.277 -7.514 -4.074 1.00 53.32 O ATOM 873 CB LEU A 62 2.830 -8.583 -5.380 1.00 63.31 C ATOM 874 CG LEU A 62 2.785 -9.996 -4.754 1.00 34.44 C ATOM 875 CD1 LEU A 62 1.561 -10.174 -3.867 1.00 50.41 C ATOM 876 CD2 LEU A 62 2.799 -11.057 -5.840 1.00 15.11 C ATOM 0 H LEU A 62 3.441 -6.207 -6.031 1.00 11.53 H new ATOM 0 HA LEU A 62 2.020 -7.430 -3.780 1.00 1.10 H new ATOM 0 HB2 LEU A 62 1.939 -8.456 -5.995 1.00 63.31 H new ATOM 0 HB3 LEU A 62 3.689 -8.535 -6.049 1.00 63.31 H new ATOM 0 HG LEU A 62 3.672 -10.110 -4.131 1.00 34.44 H new ATOM 0 HD11 LEU A 62 1.561 -11.178 -3.444 1.00 50.41 H new ATOM 0 HD12 LEU A 62 1.586 -9.440 -3.061 1.00 50.41 H new ATOM 0 HD13 LEU A 62 0.658 -10.031 -4.460 1.00 50.41 H new ATOM 0 HD21 LEU A 62 2.767 -12.046 -5.383 1.00 15.11 H new ATOM 0 HD22 LEU A 62 1.931 -10.928 -6.486 1.00 15.11 H new ATOM 0 HD23 LEU A 62 3.709 -10.960 -6.432 1.00 15.11 H new ATOM 888 N LEU A 63 3.985 -7.476 -2.269 1.00 53.35 N ATOM 889 CA LEU A 63 5.095 -7.441 -1.368 1.00 32.41 C ATOM 890 C LEU A 63 5.646 -8.821 -1.106 1.00 63.31 C ATOM 891 O LEU A 63 5.028 -9.641 -0.429 1.00 32.52 O ATOM 892 CB LEU A 63 4.770 -6.722 -0.033 1.00 32.11 C ATOM 893 CG LEU A 63 4.277 -5.255 -0.110 1.00 21.41 C ATOM 894 CD1 LEU A 63 5.084 -4.430 -1.104 1.00 62.03 C ATOM 895 CD2 LEU A 63 2.785 -5.164 -0.387 1.00 41.11 C ATOM 0 H LEU A 63 3.071 -7.498 -1.816 1.00 53.35 H new ATOM 0 HA LEU A 63 5.863 -6.852 -1.869 1.00 32.41 H new ATOM 0 HB2 LEU A 63 4.009 -7.305 0.486 1.00 32.11 H new ATOM 0 HB3 LEU A 63 5.666 -6.743 0.587 1.00 32.11 H new ATOM 0 HG LEU A 63 4.445 -4.821 0.876 1.00 21.41 H new ATOM 0 HD11 LEU A 63 4.703 -3.409 -1.124 1.00 62.03 H new ATOM 0 HD12 LEU A 63 6.132 -4.420 -0.803 1.00 62.03 H new ATOM 0 HD13 LEU A 63 4.996 -4.870 -2.098 1.00 62.03 H new ATOM 0 HD21 LEU A 63 2.487 -4.117 -0.432 1.00 41.11 H new ATOM 0 HD22 LEU A 63 2.562 -5.646 -1.339 1.00 41.11 H new ATOM 0 HD23 LEU A 63 2.236 -5.664 0.411 1.00 41.11 H new ATOM 907 N ASP A 64 6.797 -9.071 -1.682 1.00 30.13 N ATOM 908 CA ASP A 64 7.556 -10.304 -1.470 1.00 52.41 C ATOM 909 C ASP A 64 8.693 -9.981 -0.523 1.00 44.12 C ATOM 910 O ASP A 64 9.615 -10.763 -0.325 1.00 70.20 O ATOM 911 CB ASP A 64 8.149 -10.815 -2.803 1.00 72.31 C ATOM 912 CG ASP A 64 9.172 -9.857 -3.413 1.00 32.52 C ATOM 913 OD1 ASP A 64 10.364 -9.940 -3.098 1.00 12.41 O ATOM 914 OD2 ASP A 64 8.788 -8.994 -4.220 1.00 53.43 O ATOM 0 H ASP A 64 7.250 -8.420 -2.324 1.00 30.13 H new ATOM 0 HA ASP A 64 6.901 -11.075 -1.064 1.00 52.41 H new ATOM 0 HB2 ASP A 64 8.622 -11.783 -2.636 1.00 72.31 H new ATOM 0 HB3 ASP A 64 7.340 -10.974 -3.516 1.00 72.31 H new ATOM 919 N GLN A 65 8.569 -8.853 0.110 1.00 31.44 N ATOM 920 CA GLN A 65 9.621 -8.298 0.906 1.00 20.03 C ATOM 921 C GLN A 65 9.293 -8.424 2.331 1.00 12.44 C ATOM 922 O GLN A 65 8.139 -8.313 2.711 1.00 54.32 O ATOM 923 CB GLN A 65 9.760 -6.814 0.591 1.00 53.52 C ATOM 924 CG GLN A 65 10.122 -6.587 -0.820 1.00 51.02 C ATOM 925 CD GLN A 65 9.763 -5.225 -1.362 1.00 73.20 C ATOM 926 OE1 GLN A 65 9.473 -5.101 -2.542 1.00 42.15 O ATOM 927 NE2 GLN A 65 9.790 -4.208 -0.541 1.00 45.02 N ATOM 0 H GLN A 65 7.722 -8.285 0.087 1.00 31.44 H new ATOM 0 HA GLN A 65 10.545 -8.831 0.684 1.00 20.03 H new ATOM 0 HB2 GLN A 65 8.821 -6.306 0.812 1.00 53.52 H new ATOM 0 HB3 GLN A 65 10.520 -6.375 1.237 1.00 53.52 H new ATOM 0 HG2 GLN A 65 11.196 -6.734 -0.931 1.00 51.02 H new ATOM 0 HG3 GLN A 65 9.632 -7.345 -1.431 1.00 51.02 H new ATOM 0 HE21 GLN A 65 10.037 -4.350 0.438 1.00 45.02 H new ATOM 0 HE22 GLN A 65 9.564 -3.273 -0.880 1.00 45.02 H new ATOM 936 N PRO A 66 10.286 -8.712 3.145 1.00 33.15 N ATOM 937 CA PRO A 66 10.143 -8.645 4.573 1.00 32.44 C ATOM 938 C PRO A 66 10.067 -7.171 5.010 1.00 53.14 C ATOM 939 O PRO A 66 9.725 -6.854 6.152 1.00 63.20 O ATOM 940 CB PRO A 66 11.423 -9.297 5.112 1.00 74.33 C ATOM 941 CG PRO A 66 12.044 -9.985 3.950 1.00 4.23 C ATOM 942 CD PRO A 66 11.626 -9.208 2.751 1.00 42.54 C ATOM 0 HA PRO A 66 9.243 -9.140 4.938 1.00 32.44 H new ATOM 0 HB2 PRO A 66 12.097 -8.549 5.530 1.00 74.33 H new ATOM 0 HB3 PRO A 66 11.196 -10.004 5.910 1.00 74.33 H new ATOM 0 HG2 PRO A 66 13.130 -10.008 4.043 1.00 4.23 H new ATOM 0 HG3 PRO A 66 11.708 -11.020 3.883 1.00 4.23 H new ATOM 0 HD2 PRO A 66 12.315 -8.391 2.536 1.00 42.54 H new ATOM 0 HD3 PRO A 66 11.582 -9.831 1.858 1.00 42.54 H new ATOM 950 N THR A 67 10.411 -6.255 4.096 1.00 10.43 N ATOM 951 CA THR A 67 10.440 -4.846 4.429 1.00 61.23 C ATOM 952 C THR A 67 10.102 -3.988 3.194 1.00 30.33 C ATOM 953 O THR A 67 10.713 -4.123 2.137 1.00 20.01 O ATOM 954 CB THR A 67 11.832 -4.445 5.004 1.00 11.23 C ATOM 955 OG1 THR A 67 12.144 -5.281 6.140 1.00 45.53 O ATOM 956 CG2 THR A 67 11.843 -2.990 5.459 1.00 43.03 C ATOM 0 H THR A 67 10.669 -6.472 3.133 1.00 10.43 H new ATOM 0 HA THR A 67 9.685 -4.662 5.194 1.00 61.23 H new ATOM 0 HB THR A 67 12.571 -4.576 4.214 1.00 11.23 H new ATOM 0 HG1 THR A 67 13.020 -5.030 6.500 1.00 45.53 H new ATOM 0 HG21 THR A 67 12.827 -2.740 5.855 1.00 43.03 H new ATOM 0 HG22 THR A 67 11.618 -2.342 4.612 1.00 43.03 H new ATOM 0 HG23 THR A 67 11.092 -2.846 6.236 1.00 43.03 H new ATOM 964 N THR A 68 9.128 -3.150 3.339 1.00 3.32 N ATOM 965 CA THR A 68 8.677 -2.259 2.308 1.00 32.53 C ATOM 966 C THR A 68 8.556 -0.848 2.906 1.00 64.21 C ATOM 967 O THR A 68 8.188 -0.698 4.053 1.00 2.33 O ATOM 968 CB THR A 68 7.314 -2.759 1.783 1.00 43.44 C ATOM 969 OG1 THR A 68 7.475 -4.060 1.208 1.00 50.33 O ATOM 970 CG2 THR A 68 6.712 -1.812 0.772 1.00 22.12 C ATOM 0 H THR A 68 8.602 -3.060 4.208 1.00 3.32 H new ATOM 0 HA THR A 68 9.380 -2.230 1.475 1.00 32.53 H new ATOM 0 HB THR A 68 6.625 -2.807 2.627 1.00 43.44 H new ATOM 0 HG1 THR A 68 6.644 -4.569 1.313 1.00 50.33 H new ATOM 0 HG21 THR A 68 5.754 -2.205 0.431 1.00 22.12 H new ATOM 0 HG22 THR A 68 6.560 -0.836 1.233 1.00 22.12 H new ATOM 0 HG23 THR A 68 7.386 -1.711 -0.078 1.00 22.12 H new ATOM 978 N THR A 69 8.949 0.163 2.185 1.00 11.34 N ATOM 979 CA THR A 69 8.861 1.515 2.696 1.00 63.43 C ATOM 980 C THR A 69 8.234 2.436 1.653 1.00 22.15 C ATOM 981 O THR A 69 8.550 2.340 0.475 1.00 70.45 O ATOM 982 CB THR A 69 10.263 2.019 3.114 1.00 54.31 C ATOM 983 OG1 THR A 69 10.829 1.075 4.031 1.00 35.54 O ATOM 984 CG2 THR A 69 10.189 3.383 3.800 1.00 64.33 C ATOM 0 H THR A 69 9.333 0.085 1.243 1.00 11.34 H new ATOM 0 HA THR A 69 8.221 1.520 3.578 1.00 63.43 H new ATOM 0 HB THR A 69 10.875 2.120 2.218 1.00 54.31 H new ATOM 0 HG1 THR A 69 11.719 1.379 4.305 1.00 35.54 H new ATOM 0 HG21 THR A 69 11.192 3.705 4.079 1.00 64.33 H new ATOM 0 HG22 THR A 69 9.752 4.111 3.116 1.00 64.33 H new ATOM 0 HG23 THR A 69 9.570 3.307 4.694 1.00 64.33 H new ATOM 992 N ALA A 70 7.375 3.322 2.081 1.00 15.40 N ATOM 993 CA ALA A 70 6.718 4.232 1.175 1.00 62.22 C ATOM 994 C ALA A 70 7.109 5.638 1.534 1.00 63.15 C ATOM 995 O ALA A 70 7.288 5.949 2.729 1.00 21.21 O ATOM 996 CB ALA A 70 5.209 4.066 1.266 1.00 14.12 C ATOM 0 H ALA A 70 7.111 3.435 3.060 1.00 15.40 H new ATOM 0 HA ALA A 70 7.024 4.016 0.151 1.00 62.22 H new ATOM 0 HB1 ALA A 70 4.725 4.758 0.577 1.00 14.12 H new ATOM 0 HB2 ALA A 70 4.939 3.043 1.002 1.00 14.12 H new ATOM 0 HB3 ALA A 70 4.880 4.277 2.284 1.00 14.12 H new ATOM 1002 N GLY A 71 7.269 6.470 0.531 1.00 73.44 N ATOM 1003 CA GLY A 71 7.677 7.825 0.743 1.00 33.14 C ATOM 1004 C GLY A 71 7.718 8.595 -0.552 1.00 63.31 C ATOM 1005 O GLY A 71 6.936 8.316 -1.471 1.00 63.34 O ATOM 0 H GLY A 71 7.119 6.221 -0.447 1.00 73.44 H new ATOM 0 HA2 GLY A 71 6.989 8.310 1.435 1.00 33.14 H new ATOM 0 HA3 GLY A 71 8.662 7.841 1.209 1.00 33.14 H new ATOM 1009 N ARG A 72 8.635 9.523 -0.639 1.00 64.24 N ATOM 1010 CA ARG A 72 8.758 10.394 -1.792 1.00 22.10 C ATOM 1011 C ARG A 72 9.708 9.799 -2.826 1.00 52.20 C ATOM 1012 O ARG A 72 10.673 9.090 -2.470 1.00 1.25 O ATOM 1013 CB ARG A 72 9.286 11.784 -1.364 1.00 61.51 C ATOM 1014 CG ARG A 72 10.719 11.759 -0.826 1.00 14.31 C ATOM 1015 CD ARG A 72 11.224 13.142 -0.439 1.00 22.33 C ATOM 1016 NE ARG A 72 12.640 13.100 -0.021 1.00 25.24 N ATOM 1017 CZ ARG A 72 13.334 14.121 0.512 1.00 1.30 C ATOM 1018 NH1 ARG A 72 12.761 15.310 0.696 1.00 11.05 N ATOM 1019 NH2 ARG A 72 14.611 13.953 0.854 1.00 1.10 N ATOM 0 H ARG A 72 9.325 9.702 0.090 1.00 64.24 H new ATOM 0 HA ARG A 72 7.768 10.498 -2.235 1.00 22.10 H new ATOM 0 HB2 ARG A 72 9.240 12.459 -2.218 1.00 61.51 H new ATOM 0 HB3 ARG A 72 8.627 12.193 -0.598 1.00 61.51 H new ATOM 0 HG2 ARG A 72 10.765 11.103 0.043 1.00 14.31 H new ATOM 0 HG3 ARG A 72 11.379 11.334 -1.582 1.00 14.31 H new ATOM 0 HD2 ARG A 72 11.112 13.822 -1.284 1.00 22.33 H new ATOM 0 HD3 ARG A 72 10.615 13.540 0.373 1.00 22.33 H new ATOM 0 HE ARG A 72 13.136 12.218 -0.148 1.00 25.24 H new ATOM 0 HH11 ARG A 72 11.786 15.453 0.432 1.00 11.05 H new ATOM 0 HH12 ARG A 72 13.297 16.077 1.101 1.00 11.05 H new ATOM 0 HH21 ARG A 72 15.063 13.050 0.711 1.00 1.10 H new ATOM 0 HH22 ARG A 72 15.137 14.728 1.258 1.00 1.10 H new ATOM 1033 N HIS A 73 9.421 10.085 -4.094 1.00 32.24 N ATOM 1034 CA HIS A 73 10.272 9.731 -5.248 1.00 1.35 C ATOM 1035 C HIS A 73 10.396 8.196 -5.439 1.00 75.31 C ATOM 1036 O HIS A 73 9.979 7.414 -4.585 1.00 5.21 O ATOM 1037 CB HIS A 73 11.698 10.353 -5.098 1.00 12.30 C ATOM 1038 CG HIS A 73 11.743 11.836 -4.859 1.00 11.43 C ATOM 1039 ND1 HIS A 73 12.734 12.450 -4.130 1.00 72.42 N ATOM 1040 CD2 HIS A 73 10.912 12.825 -5.270 1.00 65.21 C ATOM 1041 CE1 HIS A 73 12.488 13.758 -4.106 1.00 2.22 C ATOM 1042 NE2 HIS A 73 11.386 14.045 -4.789 1.00 42.11 N ATOM 0 H HIS A 73 8.572 10.581 -4.363 1.00 32.24 H new ATOM 0 HA HIS A 73 9.785 10.143 -6.132 1.00 1.35 H new ATOM 0 HB2 HIS A 73 12.206 9.855 -4.272 1.00 12.30 H new ATOM 0 HB3 HIS A 73 12.267 10.132 -6.001 1.00 12.30 H new ATOM 0 HD1 HIS A 73 13.523 11.983 -3.684 1.00 72.42 H new ATOM 0 HD2 HIS A 73 10.026 12.690 -5.873 1.00 65.21 H new ATOM 0 HE1 HIS A 73 13.102 14.488 -3.599 1.00 2.22 H new ATOM 1050 N PRO A 74 10.970 7.729 -6.577 1.00 74.41 N ATOM 1051 CA PRO A 74 11.266 6.304 -6.778 1.00 3.31 C ATOM 1052 C PRO A 74 12.468 5.853 -5.927 1.00 71.54 C ATOM 1053 O PRO A 74 12.954 4.725 -6.059 1.00 50.22 O ATOM 1054 CB PRO A 74 11.601 6.204 -8.277 1.00 63.14 C ATOM 1055 CG PRO A 74 11.122 7.485 -8.863 1.00 71.04 C ATOM 1056 CD PRO A 74 11.289 8.505 -7.788 1.00 3.41 C ATOM 0 HA PRO A 74 10.434 5.665 -6.481 1.00 3.31 H new ATOM 0 HB2 PRO A 74 12.672 6.073 -8.435 1.00 63.14 H new ATOM 0 HB3 PRO A 74 11.105 5.349 -8.737 1.00 63.14 H new ATOM 0 HG2 PRO A 74 11.699 7.751 -9.749 1.00 71.04 H new ATOM 0 HG3 PRO A 74 10.080 7.409 -9.173 1.00 71.04 H new ATOM 0 HD2 PRO A 74 12.302 8.906 -7.760 1.00 3.41 H new ATOM 0 HD3 PRO A 74 10.614 9.351 -7.920 1.00 3.41 H new ATOM 1064 N GLU A 75 12.943 6.756 -5.067 1.00 52.21 N ATOM 1065 CA GLU A 75 14.007 6.462 -4.128 1.00 53.23 C ATOM 1066 C GLU A 75 13.424 5.576 -3.050 1.00 25.13 C ATOM 1067 O GLU A 75 14.063 4.630 -2.580 1.00 11.21 O ATOM 1068 CB GLU A 75 14.541 7.750 -3.484 1.00 14.23 C ATOM 1069 CG GLU A 75 15.106 8.763 -4.461 1.00 33.14 C ATOM 1070 CD GLU A 75 15.686 9.974 -3.767 1.00 13.41 C ATOM 1071 OE1 GLU A 75 16.862 9.931 -3.352 1.00 21.04 O ATOM 1072 OE2 GLU A 75 14.987 11.015 -3.643 1.00 20.33 O ATOM 0 H GLU A 75 12.594 7.713 -5.009 1.00 52.21 H new ATOM 0 HA GLU A 75 14.833 5.975 -4.646 1.00 53.23 H new ATOM 0 HB2 GLU A 75 13.734 8.220 -2.921 1.00 14.23 H new ATOM 0 HB3 GLU A 75 15.318 7.486 -2.767 1.00 14.23 H new ATOM 0 HG2 GLU A 75 15.880 8.289 -5.065 1.00 33.14 H new ATOM 0 HG3 GLU A 75 14.319 9.082 -5.145 1.00 33.14 H new ATOM 1079 N SER A 76 12.191 5.871 -2.702 1.00 34.25 N ATOM 1080 CA SER A 76 11.455 5.091 -1.767 1.00 73.12 C ATOM 1081 C SER A 76 10.936 3.847 -2.485 1.00 63.34 C ATOM 1082 O SER A 76 10.746 3.871 -3.709 1.00 44.32 O ATOM 1083 CB SER A 76 10.309 5.926 -1.214 1.00 43.01 C ATOM 1084 OG SER A 76 10.810 7.117 -0.617 1.00 13.31 O ATOM 0 H SER A 76 11.677 6.671 -3.072 1.00 34.25 H new ATOM 0 HA SER A 76 12.084 4.782 -0.932 1.00 73.12 H new ATOM 0 HB2 SER A 76 9.613 6.177 -2.015 1.00 43.01 H new ATOM 0 HB3 SER A 76 9.751 5.348 -0.477 1.00 43.01 H new ATOM 0 HG SER A 76 10.804 7.841 -1.277 1.00 13.31 H new ATOM 1090 N ASP A 77 10.729 2.773 -1.745 1.00 64.35 N ATOM 1091 CA ASP A 77 10.305 1.496 -2.323 1.00 24.14 C ATOM 1092 C ASP A 77 8.913 1.609 -2.946 1.00 15.03 C ATOM 1093 O ASP A 77 8.670 1.111 -4.049 1.00 71.13 O ATOM 1094 CB ASP A 77 10.381 0.387 -1.267 1.00 54.41 C ATOM 1095 CG ASP A 77 10.000 -0.980 -1.784 1.00 54.31 C ATOM 1096 OD1 ASP A 77 10.570 -1.432 -2.802 1.00 64.42 O ATOM 1097 OD2 ASP A 77 9.206 -1.653 -1.135 1.00 25.52 O ATOM 0 H ASP A 77 10.847 2.753 -0.732 1.00 64.35 H new ATOM 0 HA ASP A 77 10.987 1.230 -3.130 1.00 24.14 H new ATOM 0 HB2 ASP A 77 11.396 0.345 -0.872 1.00 54.41 H new ATOM 0 HB3 ASP A 77 9.725 0.646 -0.435 1.00 54.41 H new ATOM 1102 N ILE A 78 8.025 2.294 -2.266 1.00 41.13 N ATOM 1103 CA ILE A 78 6.703 2.571 -2.796 1.00 24.32 C ATOM 1104 C ILE A 78 6.616 4.058 -3.111 1.00 13.45 C ATOM 1105 O ILE A 78 6.914 4.900 -2.249 1.00 41.34 O ATOM 1106 CB ILE A 78 5.572 2.192 -1.794 1.00 55.54 C ATOM 1107 CG1 ILE A 78 5.689 0.727 -1.353 1.00 72.10 C ATOM 1108 CG2 ILE A 78 4.184 2.466 -2.386 1.00 50.33 C ATOM 1109 CD1 ILE A 78 5.618 -0.286 -2.479 1.00 51.15 C ATOM 0 H ILE A 78 8.193 2.675 -1.335 1.00 41.13 H new ATOM 0 HA ILE A 78 6.560 1.965 -3.691 1.00 24.32 H new ATOM 0 HB ILE A 78 5.694 2.824 -0.914 1.00 55.54 H new ATOM 0 HG12 ILE A 78 6.634 0.596 -0.825 1.00 72.10 H new ATOM 0 HG13 ILE A 78 4.893 0.513 -0.640 1.00 72.10 H new ATOM 0 HG21 ILE A 78 3.418 2.190 -1.661 1.00 50.33 H new ATOM 0 HG22 ILE A 78 4.093 3.526 -2.625 1.00 50.33 H new ATOM 0 HG23 ILE A 78 4.053 1.877 -3.294 1.00 50.33 H new ATOM 0 HD11 ILE A 78 5.710 -1.292 -2.070 1.00 51.15 H new ATOM 0 HD12 ILE A 78 4.663 -0.190 -2.995 1.00 51.15 H new ATOM 0 HD13 ILE A 78 6.430 -0.105 -3.183 1.00 51.15 H new ATOM 1121 N PHE A 79 6.234 4.366 -4.327 1.00 31.34 N ATOM 1122 CA PHE A 79 6.117 5.734 -4.787 1.00 1.31 C ATOM 1123 C PHE A 79 4.727 6.287 -4.489 1.00 62.51 C ATOM 1124 O PHE A 79 3.716 5.663 -4.808 1.00 23.52 O ATOM 1125 CB PHE A 79 6.412 5.808 -6.304 1.00 54.33 C ATOM 1126 CG PHE A 79 6.210 7.177 -6.914 1.00 65.44 C ATOM 1127 CD1 PHE A 79 7.195 8.142 -6.825 1.00 14.34 C ATOM 1128 CD2 PHE A 79 5.028 7.491 -7.574 1.00 51.22 C ATOM 1129 CE1 PHE A 79 7.009 9.393 -7.375 1.00 42.13 C ATOM 1130 CE2 PHE A 79 4.838 8.740 -8.126 1.00 35.00 C ATOM 1131 CZ PHE A 79 5.828 9.692 -8.027 1.00 74.31 C ATOM 0 H PHE A 79 5.993 3.670 -5.033 1.00 31.34 H new ATOM 0 HA PHE A 79 6.847 6.343 -4.254 1.00 1.31 H new ATOM 0 HB2 PHE A 79 7.442 5.495 -6.477 1.00 54.33 H new ATOM 0 HB3 PHE A 79 5.771 5.095 -6.822 1.00 54.33 H new ATOM 0 HD1 PHE A 79 8.121 7.914 -6.319 1.00 14.34 H new ATOM 0 HD2 PHE A 79 4.249 6.748 -7.655 1.00 51.22 H new ATOM 0 HE1 PHE A 79 7.786 10.139 -7.296 1.00 42.13 H new ATOM 0 HE2 PHE A 79 3.914 8.971 -8.635 1.00 35.00 H new ATOM 0 HZ PHE A 79 5.682 10.671 -8.458 1.00 74.31 H new ATOM 1141 N LEU A 80 4.695 7.445 -3.882 1.00 65.53 N ATOM 1142 CA LEU A 80 3.468 8.150 -3.573 1.00 33.12 C ATOM 1143 C LEU A 80 3.583 9.537 -4.163 1.00 40.24 C ATOM 1144 O LEU A 80 4.652 10.146 -4.137 1.00 13.23 O ATOM 1145 CB LEU A 80 3.292 8.251 -2.052 1.00 32.34 C ATOM 1146 CG LEU A 80 3.321 6.935 -1.258 1.00 41.30 C ATOM 1147 CD1 LEU A 80 3.246 7.219 0.229 1.00 75.22 C ATOM 1148 CD2 LEU A 80 2.185 6.011 -1.680 1.00 71.51 C ATOM 0 H LEU A 80 5.535 7.938 -3.581 1.00 65.53 H new ATOM 0 HA LEU A 80 2.608 7.622 -3.985 1.00 33.12 H new ATOM 0 HB2 LEU A 80 4.077 8.899 -1.662 1.00 32.34 H new ATOM 0 HB3 LEU A 80 2.342 8.746 -1.853 1.00 32.34 H new ATOM 0 HG LEU A 80 4.262 6.430 -1.475 1.00 41.30 H new ATOM 0 HD11 LEU A 80 3.267 6.279 0.780 1.00 75.22 H new ATOM 0 HD12 LEU A 80 4.096 7.833 0.525 1.00 75.22 H new ATOM 0 HD13 LEU A 80 2.320 7.749 0.452 1.00 75.22 H new ATOM 0 HD21 LEU A 80 2.232 5.089 -1.101 1.00 71.51 H new ATOM 0 HD22 LEU A 80 1.229 6.504 -1.501 1.00 71.51 H new ATOM 0 HD23 LEU A 80 2.280 5.779 -2.741 1.00 71.51 H new ATOM 1160 N ASP A 81 2.512 10.011 -4.708 1.00 43.11 N ATOM 1161 CA ASP A 81 2.474 11.315 -5.344 1.00 3.32 C ATOM 1162 C ASP A 81 1.368 12.140 -4.740 1.00 62.15 C ATOM 1163 O ASP A 81 0.199 11.734 -4.778 1.00 2.45 O ATOM 1164 CB ASP A 81 2.279 11.175 -6.865 1.00 40.32 C ATOM 1165 CG ASP A 81 2.159 12.509 -7.585 1.00 42.24 C ATOM 1166 OD1 ASP A 81 3.112 13.296 -7.575 1.00 43.33 O ATOM 1167 OD2 ASP A 81 1.128 12.768 -8.203 1.00 25.31 O ATOM 0 H ASP A 81 1.623 9.511 -4.732 1.00 43.11 H new ATOM 0 HA ASP A 81 3.426 11.819 -5.175 1.00 3.32 H new ATOM 0 HB2 ASP A 81 3.120 10.620 -7.282 1.00 40.32 H new ATOM 0 HB3 ASP A 81 1.382 10.586 -7.056 1.00 40.32 H new ATOM 1172 N ASP A 82 1.751 13.244 -4.143 1.00 14.22 N ATOM 1173 CA ASP A 82 0.845 14.194 -3.493 1.00 2.32 C ATOM 1174 C ASP A 82 1.483 15.557 -3.721 1.00 12.32 C ATOM 1175 O ASP A 82 2.524 15.637 -4.388 1.00 61.35 O ATOM 1176 CB ASP A 82 0.766 13.918 -1.959 1.00 0.04 C ATOM 1177 CG ASP A 82 -0.430 14.584 -1.239 1.00 75.05 C ATOM 1178 OD1 ASP A 82 -0.476 15.844 -1.130 1.00 31.45 O ATOM 1179 OD2 ASP A 82 -1.300 13.862 -0.736 1.00 65.24 O ATOM 0 H ASP A 82 2.730 13.525 -4.088 1.00 14.22 H new ATOM 0 HA ASP A 82 -0.167 14.122 -3.892 1.00 2.32 H new ATOM 0 HB2 ASP A 82 0.713 12.841 -1.801 1.00 0.04 H new ATOM 0 HB3 ASP A 82 1.689 14.263 -1.494 1.00 0.04 H new ATOM 1184 N VAL A 83 0.928 16.593 -3.165 1.00 44.24 N ATOM 1185 CA VAL A 83 1.463 17.927 -3.300 1.00 62.24 C ATOM 1186 C VAL A 83 2.753 18.013 -2.486 1.00 24.02 C ATOM 1187 O VAL A 83 3.701 18.697 -2.859 1.00 53.13 O ATOM 1188 CB VAL A 83 0.443 18.999 -2.804 1.00 2.10 C ATOM 1189 CG1 VAL A 83 0.992 20.415 -2.966 1.00 74.22 C ATOM 1190 CG2 VAL A 83 -0.881 18.860 -3.547 1.00 64.50 C ATOM 0 H VAL A 83 0.082 16.541 -2.598 1.00 44.24 H new ATOM 0 HA VAL A 83 1.663 18.129 -4.352 1.00 62.24 H new ATOM 0 HB VAL A 83 0.274 18.825 -1.741 1.00 2.10 H new ATOM 0 HG11 VAL A 83 0.254 21.134 -2.610 1.00 74.22 H new ATOM 0 HG12 VAL A 83 1.909 20.518 -2.386 1.00 74.22 H new ATOM 0 HG13 VAL A 83 1.205 20.604 -4.018 1.00 74.22 H new ATOM 0 HG21 VAL A 83 -1.580 19.615 -3.189 1.00 64.50 H new ATOM 0 HG22 VAL A 83 -0.715 18.997 -4.615 1.00 64.50 H new ATOM 0 HG23 VAL A 83 -1.296 17.868 -3.369 1.00 64.50 H new ATOM 1200 N THR A 84 2.778 17.315 -1.371 1.00 51.44 N ATOM 1201 CA THR A 84 3.950 17.239 -0.529 1.00 62.55 C ATOM 1202 C THR A 84 3.959 15.868 0.149 1.00 23.54 C ATOM 1203 O THR A 84 3.043 15.542 0.914 1.00 2.41 O ATOM 1204 CB THR A 84 3.933 18.355 0.539 1.00 60.11 C ATOM 1205 OG1 THR A 84 3.579 19.595 -0.099 1.00 64.30 O ATOM 1206 CG2 THR A 84 5.320 18.520 1.149 1.00 31.53 C ATOM 0 H THR A 84 1.981 16.782 -1.022 1.00 51.44 H new ATOM 0 HA THR A 84 4.846 17.372 -1.135 1.00 62.55 H new ATOM 0 HB THR A 84 3.217 18.092 1.318 1.00 60.11 H new ATOM 0 HG1 THR A 84 3.563 20.313 0.568 1.00 64.30 H new ATOM 0 HG21 THR A 84 5.296 19.309 1.900 1.00 31.53 H new ATOM 0 HG22 THR A 84 5.626 17.584 1.616 1.00 31.53 H new ATOM 0 HG23 THR A 84 6.032 18.785 0.367 1.00 31.53 H new ATOM 1214 N VAL A 85 4.945 15.058 -0.180 1.00 2.35 N ATOM 1215 CA VAL A 85 5.042 13.704 0.329 1.00 31.54 C ATOM 1216 C VAL A 85 6.120 13.643 1.425 1.00 22.14 C ATOM 1217 O VAL A 85 7.051 14.455 1.434 1.00 44.45 O ATOM 1218 CB VAL A 85 5.392 12.698 -0.817 1.00 35.15 C ATOM 1219 CG1 VAL A 85 5.248 11.250 -0.362 1.00 15.11 C ATOM 1220 CG2 VAL A 85 4.535 12.951 -2.050 1.00 32.25 C ATOM 0 H VAL A 85 5.704 15.320 -0.809 1.00 2.35 H new ATOM 0 HA VAL A 85 4.076 13.421 0.747 1.00 31.54 H new ATOM 0 HB VAL A 85 6.437 12.865 -1.079 1.00 35.15 H new ATOM 0 HG11 VAL A 85 5.500 10.583 -1.186 1.00 15.11 H new ATOM 0 HG12 VAL A 85 5.921 11.063 0.475 1.00 15.11 H new ATOM 0 HG13 VAL A 85 4.220 11.068 -0.049 1.00 15.11 H new ATOM 0 HG21 VAL A 85 4.800 12.237 -2.830 1.00 32.25 H new ATOM 0 HG22 VAL A 85 3.483 12.833 -1.792 1.00 32.25 H new ATOM 0 HG23 VAL A 85 4.708 13.965 -2.412 1.00 32.25 H new ATOM 1230 N SER A 86 5.979 12.715 2.345 1.00 31.42 N ATOM 1231 CA SER A 86 6.929 12.531 3.414 1.00 33.14 C ATOM 1232 C SER A 86 8.244 11.897 2.871 1.00 52.35 C ATOM 1233 O SER A 86 8.230 11.183 1.868 1.00 14.34 O ATOM 1234 CB SER A 86 6.301 11.611 4.455 1.00 52.53 C ATOM 1235 OG SER A 86 4.979 12.028 4.781 1.00 4.20 O ATOM 0 H SER A 86 5.195 12.063 2.371 1.00 31.42 H new ATOM 0 HA SER A 86 7.176 13.495 3.859 1.00 33.14 H new ATOM 0 HB2 SER A 86 6.280 10.589 4.076 1.00 52.53 H new ATOM 0 HB3 SER A 86 6.915 11.604 5.355 1.00 52.53 H new ATOM 0 HG SER A 86 4.348 11.308 4.573 1.00 4.20 H new ATOM 1241 N ARG A 87 9.369 12.163 3.551 1.00 15.22 N ATOM 1242 CA ARG A 87 10.687 11.606 3.156 1.00 63.32 C ATOM 1243 C ARG A 87 10.733 10.094 3.400 1.00 23.01 C ATOM 1244 O ARG A 87 11.430 9.353 2.727 1.00 72.14 O ATOM 1245 CB ARG A 87 11.840 12.384 3.844 1.00 5.11 C ATOM 1246 CG ARG A 87 11.721 12.553 5.367 1.00 55.44 C ATOM 1247 CD ARG A 87 12.353 11.426 6.170 1.00 32.23 C ATOM 1248 NE ARG A 87 12.150 11.648 7.608 1.00 65.11 N ATOM 1249 CZ ARG A 87 12.765 11.014 8.614 1.00 11.53 C ATOM 1250 NH1 ARG A 87 13.836 10.261 8.393 1.00 33.01 N ATOM 1251 NH2 ARG A 87 12.352 11.210 9.856 1.00 24.41 N ATOM 0 H ARG A 87 9.401 12.759 4.378 1.00 15.22 H new ATOM 0 HA ARG A 87 10.829 11.742 2.084 1.00 63.32 H new ATOM 0 HB2 ARG A 87 12.778 11.872 3.627 1.00 5.11 H new ATOM 0 HB3 ARG A 87 11.905 13.374 3.392 1.00 5.11 H new ATOM 0 HG2 ARG A 87 12.188 13.495 5.654 1.00 55.44 H new ATOM 0 HG3 ARG A 87 10.666 12.626 5.632 1.00 55.44 H new ATOM 0 HD2 ARG A 87 11.915 10.472 5.877 1.00 32.23 H new ATOM 0 HD3 ARG A 87 13.419 11.368 5.951 1.00 32.23 H new ATOM 0 HE ARG A 87 11.468 12.361 7.867 1.00 65.11 H new ATOM 0 HH11 ARG A 87 14.201 10.159 7.446 1.00 33.01 H new ATOM 0 HH12 ARG A 87 14.293 9.784 9.170 1.00 33.01 H new ATOM 0 HH21 ARG A 87 11.571 11.840 10.040 1.00 24.41 H new ATOM 0 HH22 ARG A 87 12.815 10.731 10.629 1.00 24.41 H new ATOM 1265 N ARG A 88 9.981 9.699 4.373 1.00 54.23 N ATOM 1266 CA ARG A 88 9.668 8.343 4.720 1.00 32.00 C ATOM 1267 C ARG A 88 8.309 8.484 5.279 1.00 72.34 C ATOM 1268 O ARG A 88 8.128 9.294 6.160 1.00 52.44 O ATOM 1269 CB ARG A 88 10.624 7.746 5.788 1.00 21.24 C ATOM 1270 CG ARG A 88 12.027 7.420 5.291 1.00 44.14 C ATOM 1271 CD ARG A 88 12.920 6.859 6.402 1.00 32.42 C ATOM 1272 NE ARG A 88 12.415 5.595 6.995 1.00 2.13 N ATOM 1273 CZ ARG A 88 13.201 4.596 7.479 1.00 5.13 C ATOM 1274 NH1 ARG A 88 14.525 4.658 7.349 1.00 42.11 N ATOM 1275 NH2 ARG A 88 12.664 3.555 8.095 1.00 61.03 N ATOM 0 H ARG A 88 9.531 10.367 4.999 1.00 54.23 H new ATOM 0 HA ARG A 88 9.757 7.666 3.870 1.00 32.00 H new ATOM 0 HB2 ARG A 88 10.703 8.450 6.616 1.00 21.24 H new ATOM 0 HB3 ARG A 88 10.176 6.836 6.186 1.00 21.24 H new ATOM 0 HG2 ARG A 88 11.963 6.696 4.478 1.00 44.14 H new ATOM 0 HG3 ARG A 88 12.483 8.321 4.881 1.00 44.14 H new ATOM 0 HD2 ARG A 88 13.919 6.688 6.001 1.00 32.42 H new ATOM 0 HD3 ARG A 88 13.017 7.606 7.190 1.00 32.42 H new ATOM 0 HE ARG A 88 11.404 5.466 7.043 1.00 2.13 H new ATOM 0 HH11 ARG A 88 14.955 5.458 6.884 1.00 42.11 H new ATOM 0 HH12 ARG A 88 15.109 3.906 7.714 1.00 42.11 H new ATOM 0 HH21 ARG A 88 11.652 3.497 8.210 1.00 61.03 H new ATOM 0 HH22 ARG A 88 13.262 2.811 8.454 1.00 61.03 H new ATOM 1289 N HIS A 89 7.348 7.838 4.711 1.00 3.11 N ATOM 1290 CA HIS A 89 5.991 8.041 5.153 1.00 21.32 C ATOM 1291 C HIS A 89 5.565 6.928 6.078 1.00 30.31 C ATOM 1292 O HIS A 89 5.156 7.155 7.218 1.00 21.43 O ATOM 1293 CB HIS A 89 5.068 8.110 3.932 1.00 75.42 C ATOM 1294 CG HIS A 89 3.683 8.565 4.232 1.00 34.43 C ATOM 1295 ND1 HIS A 89 3.284 9.835 3.944 1.00 51.02 N ATOM 1296 CD2 HIS A 89 2.647 7.883 4.758 1.00 22.13 C ATOM 1297 CE1 HIS A 89 2.012 9.882 4.298 1.00 61.34 C ATOM 1298 NE2 HIS A 89 1.596 8.733 4.789 1.00 11.12 N ATOM 0 H HIS A 89 7.463 7.171 3.948 1.00 3.11 H new ATOM 0 HA HIS A 89 5.927 8.979 5.705 1.00 21.32 H new ATOM 0 HB2 HIS A 89 5.508 8.785 3.197 1.00 75.42 H new ATOM 0 HB3 HIS A 89 5.021 7.123 3.471 1.00 75.42 H new ATOM 0 HD2 HIS A 89 2.655 6.856 5.091 1.00 22.13 H new ATOM 0 HE1 HIS A 89 1.388 10.758 4.197 1.00 61.34 H new ATOM 0 HE2 HIS A 89 0.657 8.524 5.129 1.00 11.12 H new ATOM 1306 N ALA A 90 5.734 5.735 5.623 1.00 63.33 N ATOM 1307 CA ALA A 90 5.331 4.593 6.374 1.00 43.44 C ATOM 1308 C ALA A 90 6.198 3.446 5.996 1.00 52.44 C ATOM 1309 O ALA A 90 6.657 3.352 4.838 1.00 0.43 O ATOM 1310 CB ALA A 90 3.869 4.257 6.095 1.00 63.35 C ATOM 0 H ALA A 90 6.156 5.521 4.719 1.00 63.33 H new ATOM 0 HA ALA A 90 5.433 4.803 7.439 1.00 43.44 H new ATOM 0 HB1 ALA A 90 3.579 3.382 6.677 1.00 63.35 H new ATOM 0 HB2 ALA A 90 3.241 5.103 6.375 1.00 63.35 H new ATOM 0 HB3 ALA A 90 3.741 4.045 5.034 1.00 63.35 H new ATOM 1316 N GLU A 91 6.457 2.610 6.932 1.00 10.35 N ATOM 1317 CA GLU A 91 7.214 1.433 6.678 1.00 25.24 C ATOM 1318 C GLU A 91 6.371 0.214 6.974 1.00 74.54 C ATOM 1319 O GLU A 91 5.747 0.108 8.029 1.00 33.50 O ATOM 1320 CB GLU A 91 8.563 1.431 7.435 1.00 60.43 C ATOM 1321 CG GLU A 91 8.473 1.617 8.948 1.00 4.04 C ATOM 1322 CD GLU A 91 9.837 1.728 9.594 1.00 73.44 C ATOM 1323 OE1 GLU A 91 10.521 2.734 9.370 1.00 52.55 O ATOM 1324 OE2 GLU A 91 10.246 0.816 10.363 1.00 43.13 O ATOM 0 H GLU A 91 6.151 2.719 7.899 1.00 10.35 H new ATOM 0 HA GLU A 91 7.481 1.409 5.621 1.00 25.24 H new ATOM 0 HB2 GLU A 91 9.071 0.488 7.233 1.00 60.43 H new ATOM 0 HB3 GLU A 91 9.189 2.224 7.026 1.00 60.43 H new ATOM 0 HG2 GLU A 91 7.895 2.515 9.168 1.00 4.04 H new ATOM 0 HG3 GLU A 91 7.934 0.776 9.384 1.00 4.04 H new ATOM 1331 N PHE A 92 6.345 -0.674 6.036 1.00 43.25 N ATOM 1332 CA PHE A 92 5.593 -1.881 6.122 1.00 25.33 C ATOM 1333 C PHE A 92 6.602 -2.958 6.377 1.00 4.40 C ATOM 1334 O PHE A 92 7.472 -3.230 5.545 1.00 55.23 O ATOM 1335 CB PHE A 92 4.871 -2.180 4.793 1.00 24.25 C ATOM 1336 CG PHE A 92 3.968 -1.086 4.258 1.00 40.34 C ATOM 1337 CD1 PHE A 92 4.499 0.056 3.664 1.00 50.12 C ATOM 1338 CD2 PHE A 92 2.594 -1.212 4.327 1.00 73.54 C ATOM 1339 CE1 PHE A 92 3.676 1.042 3.162 1.00 52.20 C ATOM 1340 CE2 PHE A 92 1.765 -0.226 3.828 1.00 74.42 C ATOM 1341 CZ PHE A 92 2.307 0.902 3.244 1.00 55.41 C ATOM 0 H PHE A 92 6.862 -0.576 5.162 1.00 43.25 H new ATOM 0 HA PHE A 92 4.834 -1.813 6.901 1.00 25.33 H new ATOM 0 HB2 PHE A 92 5.624 -2.402 4.037 1.00 24.25 H new ATOM 0 HB3 PHE A 92 4.274 -3.083 4.923 1.00 24.25 H new ATOM 0 HD1 PHE A 92 5.571 0.171 3.595 1.00 50.12 H new ATOM 0 HD2 PHE A 92 2.162 -2.093 4.777 1.00 73.54 H new ATOM 0 HE1 PHE A 92 4.103 1.923 2.705 1.00 52.20 H new ATOM 0 HE2 PHE A 92 0.693 -0.337 3.895 1.00 74.42 H new ATOM 0 HZ PHE A 92 1.660 1.673 2.852 1.00 55.41 H new ATOM 1351 N ARG A 93 6.537 -3.515 7.508 1.00 73.02 N ATOM 1352 CA ARG A 93 7.479 -4.495 7.919 1.00 62.30 C ATOM 1353 C ARG A 93 6.765 -5.795 8.089 1.00 34.32 C ATOM 1354 O ARG A 93 5.752 -5.867 8.774 1.00 21.05 O ATOM 1355 CB ARG A 93 8.121 -4.040 9.222 1.00 40.42 C ATOM 1356 CG ARG A 93 8.808 -2.690 9.083 1.00 32.33 C ATOM 1357 CD ARG A 93 9.226 -2.122 10.412 1.00 74.42 C ATOM 1358 NE ARG A 93 10.198 -2.953 11.111 1.00 24.10 N ATOM 1359 CZ ARG A 93 11.123 -2.481 11.936 1.00 73.33 C ATOM 1360 NH1 ARG A 93 11.349 -1.168 12.012 1.00 10.35 N ATOM 1361 NH2 ARG A 93 11.872 -3.322 12.632 1.00 33.14 N ATOM 0 H ARG A 93 5.817 -3.309 8.201 1.00 73.02 H new ATOM 0 HA ARG A 93 8.266 -4.624 7.175 1.00 62.30 H new ATOM 0 HB2 ARG A 93 7.359 -3.980 9.999 1.00 40.42 H new ATOM 0 HB3 ARG A 93 8.848 -4.784 9.546 1.00 40.42 H new ATOM 0 HG2 ARG A 93 9.684 -2.795 8.444 1.00 32.33 H new ATOM 0 HG3 ARG A 93 8.134 -1.991 8.588 1.00 32.33 H new ATOM 0 HD2 ARG A 93 9.650 -1.129 10.259 1.00 74.42 H new ATOM 0 HD3 ARG A 93 8.344 -1.999 11.041 1.00 74.42 H new ATOM 0 HE ARG A 93 10.165 -3.961 10.956 1.00 24.10 H new ATOM 0 HH11 ARG A 93 10.809 -0.523 11.434 1.00 10.35 H new ATOM 0 HH12 ARG A 93 12.061 -0.809 12.648 1.00 10.35 H new ATOM 0 HH21 ARG A 93 11.736 -4.328 12.532 1.00 33.14 H new ATOM 0 HH22 ARG A 93 12.585 -2.964 13.268 1.00 33.14 H new ATOM 1375 N ILE A 94 7.260 -6.799 7.464 1.00 63.15 N ATOM 1376 CA ILE A 94 6.655 -8.083 7.528 1.00 44.42 C ATOM 1377 C ILE A 94 7.490 -8.913 8.461 1.00 34.51 C ATOM 1378 O ILE A 94 8.657 -9.203 8.185 1.00 52.32 O ATOM 1379 CB ILE A 94 6.553 -8.776 6.111 1.00 44.04 C ATOM 1380 CG1 ILE A 94 5.592 -8.026 5.151 1.00 15.22 C ATOM 1381 CG2 ILE A 94 6.121 -10.237 6.227 1.00 5.33 C ATOM 1382 CD1 ILE A 94 6.067 -6.674 4.639 1.00 5.42 C ATOM 0 H ILE A 94 8.102 -6.756 6.889 1.00 63.15 H new ATOM 0 HA ILE A 94 5.630 -7.986 7.886 1.00 44.42 H new ATOM 0 HB ILE A 94 7.556 -8.735 5.687 1.00 44.04 H new ATOM 0 HG12 ILE A 94 5.398 -8.668 4.292 1.00 15.22 H new ATOM 0 HG13 ILE A 94 4.641 -7.882 5.663 1.00 15.22 H new ATOM 0 HG21 ILE A 94 6.062 -10.679 5.232 1.00 5.33 H new ATOM 0 HG22 ILE A 94 6.849 -10.785 6.825 1.00 5.33 H new ATOM 0 HG23 ILE A 94 5.143 -10.290 6.706 1.00 5.33 H new ATOM 0 HD11 ILE A 94 5.311 -6.249 3.978 1.00 5.42 H new ATOM 0 HD12 ILE A 94 6.231 -6.003 5.482 1.00 5.42 H new ATOM 0 HD13 ILE A 94 7.000 -6.800 4.089 1.00 5.42 H new ATOM 1394 N ASN A 95 6.921 -9.251 9.569 1.00 70.53 N ATOM 1395 CA ASN A 95 7.612 -9.997 10.566 1.00 52.15 C ATOM 1396 C ASN A 95 6.870 -11.283 10.773 1.00 4.33 C ATOM 1397 O ASN A 95 5.669 -11.288 10.975 1.00 1.03 O ATOM 1398 CB ASN A 95 7.750 -9.197 11.893 1.00 21.32 C ATOM 1399 CG ASN A 95 6.475 -9.124 12.726 1.00 4.25 C ATOM 1400 OD1 ASN A 95 5.623 -8.281 12.512 1.00 63.11 O ATOM 1401 ND2 ASN A 95 6.359 -9.990 13.702 1.00 34.54 N ATOM 0 H ASN A 95 5.958 -9.016 9.810 1.00 70.53 H new ATOM 0 HA ASN A 95 8.630 -10.203 10.234 1.00 52.15 H new ATOM 0 HB2 ASN A 95 8.536 -9.651 12.496 1.00 21.32 H new ATOM 0 HB3 ASN A 95 8.074 -8.183 11.659 1.00 21.32 H new ATOM 0 HD21 ASN A 95 5.538 -9.969 14.307 1.00 34.54 H new ATOM 0 HD22 ASN A 95 7.090 -10.685 13.857 1.00 34.54 H new ATOM 1408 N GLU A 96 7.579 -12.368 10.634 1.00 45.10 N ATOM 1409 CA GLU A 96 7.048 -13.721 10.810 1.00 3.34 C ATOM 1410 C GLU A 96 5.778 -13.973 9.970 1.00 71.50 C ATOM 1411 O GLU A 96 4.938 -14.784 10.351 1.00 54.31 O ATOM 1412 CB GLU A 96 6.721 -13.978 12.302 1.00 2.15 C ATOM 1413 CG GLU A 96 7.908 -14.044 13.258 1.00 22.45 C ATOM 1414 CD GLU A 96 8.700 -12.770 13.348 1.00 13.24 C ATOM 1415 OE1 GLU A 96 8.309 -11.859 14.104 1.00 75.22 O ATOM 1416 OE2 GLU A 96 9.725 -12.656 12.660 1.00 2.22 O ATOM 0 H GLU A 96 8.569 -12.352 10.389 1.00 45.10 H new ATOM 0 HA GLU A 96 7.822 -14.407 10.466 1.00 3.34 H new ATOM 0 HB2 GLU A 96 6.050 -13.190 12.645 1.00 2.15 H new ATOM 0 HB3 GLU A 96 6.172 -14.917 12.374 1.00 2.15 H new ATOM 0 HG2 GLU A 96 7.545 -14.304 14.252 1.00 22.45 H new ATOM 0 HG3 GLU A 96 8.571 -14.849 12.941 1.00 22.45 H new ATOM 1423 N GLY A 97 5.716 -13.387 8.787 1.00 14.44 N ATOM 1424 CA GLY A 97 4.558 -13.562 7.921 1.00 64.52 C ATOM 1425 C GLY A 97 3.400 -12.620 8.257 1.00 53.55 C ATOM 1426 O GLY A 97 2.357 -12.663 7.608 1.00 40.22 O ATOM 0 H GLY A 97 6.448 -12.789 8.404 1.00 14.44 H new ATOM 0 HA2 GLY A 97 4.860 -13.400 6.886 1.00 64.52 H new ATOM 0 HA3 GLY A 97 4.211 -14.593 7.994 1.00 64.52 H new ATOM 1430 N GLU A 98 3.588 -11.790 9.265 1.00 21.11 N ATOM 1431 CA GLU A 98 2.594 -10.828 9.714 1.00 74.53 C ATOM 1432 C GLU A 98 2.996 -9.455 9.205 1.00 3.15 C ATOM 1433 O GLU A 98 4.179 -9.185 9.031 1.00 64.22 O ATOM 1434 CB GLU A 98 2.547 -10.821 11.233 1.00 42.03 C ATOM 1435 CG GLU A 98 2.373 -12.203 11.831 1.00 74.50 C ATOM 1436 CD GLU A 98 2.402 -12.205 13.333 1.00 63.15 C ATOM 1437 OE1 GLU A 98 2.735 -11.172 13.948 1.00 74.41 O ATOM 1438 OE2 GLU A 98 2.114 -13.253 13.939 1.00 30.33 O ATOM 0 H GLU A 98 4.452 -11.763 9.807 1.00 21.11 H new ATOM 0 HA GLU A 98 1.608 -11.094 9.332 1.00 74.53 H new ATOM 0 HB2 GLU A 98 3.467 -10.379 11.617 1.00 42.03 H new ATOM 0 HB3 GLU A 98 1.726 -10.184 11.562 1.00 42.03 H new ATOM 0 HG2 GLU A 98 1.426 -12.622 11.492 1.00 74.50 H new ATOM 0 HG3 GLU A 98 3.162 -12.856 11.458 1.00 74.50 H new ATOM 1445 N PHE A 99 2.037 -8.602 8.968 1.00 54.12 N ATOM 1446 CA PHE A 99 2.307 -7.315 8.351 1.00 53.41 C ATOM 1447 C PHE A 99 2.113 -6.180 9.358 1.00 3.33 C ATOM 1448 O PHE A 99 1.001 -5.974 9.861 1.00 51.12 O ATOM 1449 CB PHE A 99 1.338 -7.108 7.167 1.00 43.30 C ATOM 1450 CG PHE A 99 1.274 -8.274 6.205 1.00 20.22 C ATOM 1451 CD1 PHE A 99 2.147 -8.363 5.142 1.00 2.43 C ATOM 1452 CD2 PHE A 99 0.340 -9.288 6.385 1.00 51.51 C ATOM 1453 CE1 PHE A 99 2.099 -9.433 4.272 1.00 44.20 C ATOM 1454 CE2 PHE A 99 0.287 -10.360 5.522 1.00 41.34 C ATOM 1455 CZ PHE A 99 1.168 -10.434 4.464 1.00 63.13 C ATOM 0 H PHE A 99 1.056 -8.768 9.191 1.00 54.12 H new ATOM 0 HA PHE A 99 3.340 -7.304 8.004 1.00 53.41 H new ATOM 0 HB2 PHE A 99 0.338 -6.920 7.559 1.00 43.30 H new ATOM 0 HB3 PHE A 99 1.638 -6.215 6.618 1.00 43.30 H new ATOM 0 HD1 PHE A 99 2.879 -7.584 4.988 1.00 2.43 H new ATOM 0 HD2 PHE A 99 -0.353 -9.234 7.212 1.00 51.51 H new ATOM 0 HE1 PHE A 99 2.788 -9.487 3.442 1.00 44.20 H new ATOM 0 HE2 PHE A 99 -0.443 -11.141 5.674 1.00 41.34 H new ATOM 0 HZ PHE A 99 1.130 -11.274 3.786 1.00 63.13 H new ATOM 1465 N GLU A 100 3.166 -5.452 9.646 1.00 42.50 N ATOM 1466 CA GLU A 100 3.086 -4.292 10.514 1.00 51.31 C ATOM 1467 C GLU A 100 3.347 -3.059 9.693 1.00 34.55 C ATOM 1468 O GLU A 100 4.175 -3.074 8.790 1.00 52.11 O ATOM 1469 CB GLU A 100 4.123 -4.317 11.643 1.00 21.04 C ATOM 1470 CG GLU A 100 4.051 -5.493 12.582 1.00 32.34 C ATOM 1471 CD GLU A 100 4.953 -5.297 13.785 1.00 63.53 C ATOM 1472 OE1 GLU A 100 6.196 -5.288 13.641 1.00 61.41 O ATOM 1473 OE2 GLU A 100 4.423 -5.140 14.917 1.00 63.11 O ATOM 0 H GLU A 100 4.102 -5.643 9.288 1.00 42.50 H new ATOM 0 HA GLU A 100 2.092 -4.296 10.962 1.00 51.31 H new ATOM 0 HB2 GLU A 100 5.117 -4.295 11.197 1.00 21.04 H new ATOM 0 HB3 GLU A 100 4.016 -3.404 12.228 1.00 21.04 H new ATOM 0 HG2 GLU A 100 3.023 -5.632 12.915 1.00 32.34 H new ATOM 0 HG3 GLU A 100 4.340 -6.401 12.053 1.00 32.34 H new ATOM 1480 N VAL A 101 2.647 -2.017 9.975 1.00 1.35 N ATOM 1481 CA VAL A 101 2.870 -0.764 9.323 1.00 14.33 C ATOM 1482 C VAL A 101 3.159 0.257 10.382 1.00 13.05 C ATOM 1483 O VAL A 101 2.376 0.432 11.315 1.00 42.44 O ATOM 1484 CB VAL A 101 1.643 -0.312 8.488 1.00 11.31 C ATOM 1485 CG1 VAL A 101 1.923 1.004 7.761 1.00 11.42 C ATOM 1486 CG2 VAL A 101 1.253 -1.390 7.499 1.00 31.54 C ATOM 0 H VAL A 101 1.898 -2.004 10.667 1.00 1.35 H new ATOM 0 HA VAL A 101 3.706 -0.871 8.631 1.00 14.33 H new ATOM 0 HB VAL A 101 0.812 -0.146 9.173 1.00 11.31 H new ATOM 0 HG11 VAL A 101 1.045 1.295 7.184 1.00 11.42 H new ATOM 0 HG12 VAL A 101 2.152 1.781 8.490 1.00 11.42 H new ATOM 0 HG13 VAL A 101 2.772 0.875 7.089 1.00 11.42 H new ATOM 0 HG21 VAL A 101 0.391 -1.058 6.921 1.00 31.54 H new ATOM 0 HG22 VAL A 101 2.088 -1.586 6.826 1.00 31.54 H new ATOM 0 HG23 VAL A 101 0.999 -2.303 8.037 1.00 31.54 H new ATOM 1496 N VAL A 102 4.273 0.891 10.266 1.00 62.34 N ATOM 1497 CA VAL A 102 4.667 1.899 11.206 1.00 35.31 C ATOM 1498 C VAL A 102 4.802 3.222 10.472 1.00 11.41 C ATOM 1499 O VAL A 102 5.432 3.289 9.413 1.00 34.15 O ATOM 1500 CB VAL A 102 6.024 1.544 11.897 1.00 3.42 C ATOM 1501 CG1 VAL A 102 6.402 2.583 12.949 1.00 42.23 C ATOM 1502 CG2 VAL A 102 5.978 0.149 12.519 1.00 24.10 C ATOM 0 H VAL A 102 4.945 0.729 9.515 1.00 62.34 H new ATOM 0 HA VAL A 102 3.906 1.965 11.984 1.00 35.31 H new ATOM 0 HB VAL A 102 6.792 1.550 11.124 1.00 3.42 H new ATOM 0 HG11 VAL A 102 7.350 2.306 13.410 1.00 42.23 H new ATOM 0 HG12 VAL A 102 6.500 3.560 12.476 1.00 42.23 H new ATOM 0 HG13 VAL A 102 5.626 2.626 13.713 1.00 42.23 H new ATOM 0 HG21 VAL A 102 6.935 -0.070 12.992 1.00 24.10 H new ATOM 0 HG22 VAL A 102 5.186 0.110 13.267 1.00 24.10 H new ATOM 0 HG23 VAL A 102 5.780 -0.589 11.742 1.00 24.10 H new ATOM 1512 N ASP A 103 4.190 4.237 11.004 1.00 40.04 N ATOM 1513 CA ASP A 103 4.274 5.578 10.455 1.00 53.44 C ATOM 1514 C ASP A 103 5.601 6.156 10.819 1.00 1.23 C ATOM 1515 O ASP A 103 6.019 6.094 11.979 1.00 33.35 O ATOM 1516 CB ASP A 103 3.165 6.488 11.026 1.00 71.43 C ATOM 1517 CG ASP A 103 3.303 7.972 10.641 1.00 30.23 C ATOM 1518 OD1 ASP A 103 4.124 8.708 11.269 1.00 44.13 O ATOM 1519 OD2 ASP A 103 2.562 8.434 9.754 1.00 20.20 O ATOM 0 H ASP A 103 3.610 4.168 11.840 1.00 40.04 H new ATOM 0 HA ASP A 103 4.151 5.520 9.374 1.00 53.44 H new ATOM 0 HB2 ASP A 103 2.198 6.123 10.680 1.00 71.43 H new ATOM 0 HB3 ASP A 103 3.167 6.405 12.113 1.00 71.43 H new ATOM 1524 N VAL A 104 6.266 6.681 9.849 1.00 33.04 N ATOM 1525 CA VAL A 104 7.530 7.322 10.053 1.00 42.03 C ATOM 1526 C VAL A 104 7.533 8.655 9.348 1.00 3.32 C ATOM 1527 O VAL A 104 8.575 9.312 9.225 1.00 52.24 O ATOM 1528 CB VAL A 104 8.727 6.442 9.587 1.00 63.42 C ATOM 1529 CG1 VAL A 104 8.886 5.247 10.508 1.00 44.14 C ATOM 1530 CG2 VAL A 104 8.534 5.964 8.153 1.00 12.12 C ATOM 0 H VAL A 104 5.949 6.680 8.879 1.00 33.04 H new ATOM 0 HA VAL A 104 7.662 7.474 11.124 1.00 42.03 H new ATOM 0 HB VAL A 104 9.629 7.053 9.627 1.00 63.42 H new ATOM 0 HG11 VAL A 104 9.726 4.638 10.173 1.00 44.14 H new ATOM 0 HG12 VAL A 104 9.072 5.593 11.525 1.00 44.14 H new ATOM 0 HG13 VAL A 104 7.975 4.649 10.489 1.00 44.14 H new ATOM 0 HG21 VAL A 104 9.386 5.352 7.856 1.00 12.12 H new ATOM 0 HG22 VAL A 104 7.621 5.372 8.086 1.00 12.12 H new ATOM 0 HG23 VAL A 104 8.457 6.825 7.490 1.00 12.12 H new ATOM 1540 N GLY A 105 6.353 9.075 8.939 1.00 12.44 N ATOM 1541 CA GLY A 105 6.228 10.283 8.217 1.00 15.31 C ATOM 1542 C GLY A 105 4.876 10.913 8.343 1.00 3.04 C ATOM 1543 O GLY A 105 4.025 10.791 7.457 1.00 43.25 O ATOM 0 H GLY A 105 5.476 8.582 9.105 1.00 12.44 H new ATOM 0 HA2 GLY A 105 6.983 10.987 8.567 1.00 15.31 H new ATOM 0 HA3 GLY A 105 6.435 10.092 7.164 1.00 15.31 H new ATOM 1547 N SER A 106 4.694 11.639 9.412 1.00 21.44 N ATOM 1548 CA SER A 106 3.471 12.356 9.656 1.00 52.13 C ATOM 1549 C SER A 106 3.456 13.707 8.904 1.00 32.52 C ATOM 1550 O SER A 106 2.639 14.591 9.204 1.00 23.32 O ATOM 1551 CB SER A 106 3.300 12.560 11.147 1.00 52.31 C ATOM 1552 OG SER A 106 3.315 11.308 11.828 1.00 72.23 O ATOM 0 H SER A 106 5.395 11.751 10.144 1.00 21.44 H new ATOM 0 HA SER A 106 2.634 11.769 9.278 1.00 52.13 H new ATOM 0 HB2 SER A 106 4.099 13.197 11.527 1.00 52.31 H new ATOM 0 HB3 SER A 106 2.360 13.076 11.344 1.00 52.31 H new ATOM 0 HG SER A 106 3.578 10.599 11.204 1.00 72.23 H new ATOM 1558 N LEU A 107 4.373 13.847 7.929 1.00 11.02 N ATOM 1559 CA LEU A 107 4.427 15.013 7.061 1.00 2.05 C ATOM 1560 C LEU A 107 3.179 14.975 6.212 1.00 74.22 C ATOM 1561 O LEU A 107 2.436 15.913 6.168 1.00 72.32 O ATOM 1562 CB LEU A 107 5.717 14.913 6.169 1.00 32.04 C ATOM 1563 CG LEU A 107 6.087 16.051 5.158 1.00 23.52 C ATOM 1564 CD1 LEU A 107 5.101 16.192 4.012 1.00 45.24 C ATOM 1565 CD2 LEU A 107 6.287 17.375 5.851 1.00 1.23 C ATOM 0 H LEU A 107 5.091 13.150 7.730 1.00 11.02 H new ATOM 0 HA LEU A 107 4.472 15.947 7.620 1.00 2.05 H new ATOM 0 HB2 LEU A 107 6.565 14.798 6.845 1.00 32.04 H new ATOM 0 HB3 LEU A 107 5.638 13.989 5.596 1.00 32.04 H new ATOM 0 HG LEU A 107 7.035 15.743 4.717 1.00 23.52 H new ATOM 0 HD11 LEU A 107 5.422 16.999 3.353 1.00 45.24 H new ATOM 0 HD12 LEU A 107 5.061 15.259 3.450 1.00 45.24 H new ATOM 0 HD13 LEU A 107 4.112 16.420 4.409 1.00 45.24 H new ATOM 0 HD21 LEU A 107 6.542 18.137 5.114 1.00 1.23 H new ATOM 0 HD22 LEU A 107 5.368 17.660 6.364 1.00 1.23 H new ATOM 0 HD23 LEU A 107 7.095 17.287 6.577 1.00 1.23 H new ATOM 1577 N ASN A 108 2.931 13.848 5.605 1.00 51.43 N ATOM 1578 CA ASN A 108 1.732 13.692 4.825 1.00 64.33 C ATOM 1579 C ASN A 108 0.735 12.837 5.610 1.00 71.32 C ATOM 1580 O ASN A 108 -0.456 12.879 5.357 1.00 1.53 O ATOM 1581 CB ASN A 108 2.069 13.126 3.425 1.00 14.30 C ATOM 1582 CG ASN A 108 0.863 12.925 2.519 1.00 10.24 C ATOM 1583 OD1 ASN A 108 0.251 11.880 2.530 1.00 34.52 O ATOM 1584 ND2 ASN A 108 0.560 13.902 1.701 1.00 72.44 N ATOM 0 H ASN A 108 3.537 13.028 5.634 1.00 51.43 H new ATOM 0 HA ASN A 108 1.259 14.658 4.647 1.00 64.33 H new ATOM 0 HB2 ASN A 108 2.769 13.801 2.933 1.00 14.30 H new ATOM 0 HB3 ASN A 108 2.580 12.171 3.546 1.00 14.30 H new ATOM 0 HD21 ASN A 108 -0.214 13.796 1.045 1.00 72.44 H new ATOM 0 HD22 ASN A 108 1.098 14.768 1.720 1.00 72.44 H new ATOM 1591 N GLY A 109 1.261 12.076 6.600 1.00 13.42 N ATOM 1592 CA GLY A 109 0.421 11.411 7.590 1.00 11.33 C ATOM 1593 C GLY A 109 -0.149 10.077 7.176 1.00 31.03 C ATOM 1594 O GLY A 109 -0.859 9.970 6.176 1.00 52.13 O ATOM 0 H GLY A 109 2.261 11.916 6.723 1.00 13.42 H new ATOM 0 HA2 GLY A 109 1.006 11.269 8.499 1.00 11.33 H new ATOM 0 HA3 GLY A 109 -0.405 12.075 7.843 1.00 11.33 H new ATOM 1598 N THR A 110 0.191 9.047 7.906 1.00 34.44 N ATOM 1599 CA THR A 110 -0.407 7.763 7.675 1.00 74.25 C ATOM 1600 C THR A 110 -1.712 7.668 8.493 1.00 23.24 C ATOM 1601 O THR A 110 -1.718 7.924 9.711 1.00 70.43 O ATOM 1602 CB THR A 110 0.550 6.647 8.141 1.00 5.53 C ATOM 1603 OG1 THR A 110 1.863 6.915 7.640 1.00 62.23 O ATOM 1604 CG2 THR A 110 0.090 5.283 7.635 1.00 22.54 C ATOM 0 H THR A 110 0.876 9.074 8.662 1.00 34.44 H new ATOM 0 HA THR A 110 -0.612 7.646 6.611 1.00 74.25 H new ATOM 0 HB THR A 110 0.555 6.628 9.231 1.00 5.53 H new ATOM 0 HG1 THR A 110 2.350 7.474 8.281 1.00 62.23 H new ATOM 0 HG21 THR A 110 0.783 4.515 7.978 1.00 22.54 H new ATOM 0 HG22 THR A 110 -0.907 5.070 8.019 1.00 22.54 H new ATOM 0 HG23 THR A 110 0.065 5.289 6.545 1.00 22.54 H new ATOM 1612 N TYR A 111 -2.784 7.306 7.837 1.00 1.52 N ATOM 1613 CA TYR A 111 -4.063 7.062 8.470 1.00 54.43 C ATOM 1614 C TYR A 111 -4.543 5.704 8.048 1.00 35.31 C ATOM 1615 O TYR A 111 -4.344 5.302 6.910 1.00 23.41 O ATOM 1616 CB TYR A 111 -5.111 8.135 8.092 1.00 2.23 C ATOM 1617 CG TYR A 111 -5.163 9.372 8.979 1.00 31.55 C ATOM 1618 CD1 TYR A 111 -4.016 9.997 9.434 1.00 64.10 C ATOM 1619 CD2 TYR A 111 -6.389 9.907 9.364 1.00 63.34 C ATOM 1620 CE1 TYR A 111 -4.079 11.115 10.239 1.00 3.12 C ATOM 1621 CE2 TYR A 111 -6.462 11.027 10.168 1.00 62.12 C ATOM 1622 CZ TYR A 111 -5.302 11.626 10.602 1.00 2.43 C ATOM 1623 OH TYR A 111 -5.363 12.741 11.399 1.00 10.30 O ATOM 0 H TYR A 111 -2.797 7.169 6.826 1.00 1.52 H new ATOM 0 HA TYR A 111 -3.935 7.110 9.551 1.00 54.43 H new ATOM 0 HB2 TYR A 111 -4.917 8.456 7.069 1.00 2.23 H new ATOM 0 HB3 TYR A 111 -6.096 7.668 8.099 1.00 2.23 H new ATOM 0 HD1 TYR A 111 -3.051 9.601 9.153 1.00 64.10 H new ATOM 0 HD2 TYR A 111 -7.301 9.437 9.027 1.00 63.34 H new ATOM 0 HE1 TYR A 111 -3.171 11.587 10.583 1.00 3.12 H new ATOM 0 HE2 TYR A 111 -7.422 11.430 10.454 1.00 62.12 H new ATOM 0 HH TYR A 111 -5.837 13.456 10.925 1.00 10.30 H new ATOM 1633 N VAL A 112 -5.148 5.002 8.941 1.00 52.34 N ATOM 1634 CA VAL A 112 -5.621 3.668 8.669 1.00 34.01 C ATOM 1635 C VAL A 112 -7.105 3.612 8.986 1.00 73.23 C ATOM 1636 O VAL A 112 -7.505 3.838 10.136 1.00 64.21 O ATOM 1637 CB VAL A 112 -4.865 2.619 9.523 1.00 74.31 C ATOM 1638 CG1 VAL A 112 -5.393 1.238 9.242 1.00 72.22 C ATOM 1639 CG2 VAL A 112 -3.363 2.668 9.257 1.00 42.44 C ATOM 0 H VAL A 112 -5.335 5.328 9.889 1.00 52.34 H new ATOM 0 HA VAL A 112 -5.443 3.434 7.620 1.00 34.01 H new ATOM 0 HB VAL A 112 -5.032 2.859 10.573 1.00 74.31 H new ATOM 0 HG11 VAL A 112 -4.853 0.511 9.849 1.00 72.22 H new ATOM 0 HG12 VAL A 112 -6.454 1.198 9.487 1.00 72.22 H new ATOM 0 HG13 VAL A 112 -5.255 1.003 8.187 1.00 72.22 H new ATOM 0 HG21 VAL A 112 -2.860 1.921 9.871 1.00 42.44 H new ATOM 0 HG22 VAL A 112 -3.173 2.460 8.204 1.00 42.44 H new ATOM 0 HG23 VAL A 112 -2.982 3.658 9.506 1.00 42.44 H new ATOM 1649 N ASN A 113 -7.907 3.337 7.966 1.00 64.43 N ATOM 1650 CA ASN A 113 -9.372 3.318 8.061 1.00 3.33 C ATOM 1651 C ASN A 113 -9.941 4.574 8.692 1.00 71.12 C ATOM 1652 O ASN A 113 -10.745 4.521 9.628 1.00 42.13 O ATOM 1653 CB ASN A 113 -9.948 2.032 8.686 1.00 60.22 C ATOM 1654 CG ASN A 113 -10.361 1.016 7.631 1.00 32.31 C ATOM 1655 OD1 ASN A 113 -11.476 1.073 7.119 1.00 30.31 O ATOM 1656 ND2 ASN A 113 -9.525 0.059 7.326 1.00 32.11 N ATOM 0 H ASN A 113 -7.559 3.117 7.033 1.00 64.43 H new ATOM 0 HA ASN A 113 -9.713 3.308 7.026 1.00 3.33 H new ATOM 0 HB2 ASN A 113 -9.204 1.586 9.346 1.00 60.22 H new ATOM 0 HB3 ASN A 113 -10.811 2.284 9.303 1.00 60.22 H new ATOM 0 HD21 ASN A 113 -9.794 -0.658 6.652 1.00 32.11 H new ATOM 0 HD22 ASN A 113 -8.603 0.029 7.762 1.00 32.11 H new ATOM 1663 N ARG A 114 -9.465 5.710 8.172 1.00 45.22 N ATOM 1664 CA ARG A 114 -9.882 7.074 8.563 1.00 44.41 C ATOM 1665 C ARG A 114 -9.458 7.425 10.001 1.00 34.20 C ATOM 1666 O ARG A 114 -9.842 8.454 10.544 1.00 22.44 O ATOM 1667 CB ARG A 114 -11.401 7.265 8.354 1.00 35.14 C ATOM 1668 CG ARG A 114 -11.862 6.858 6.959 1.00 25.25 C ATOM 1669 CD ARG A 114 -13.358 7.005 6.760 1.00 45.33 C ATOM 1670 NE ARG A 114 -13.795 8.396 6.603 1.00 64.14 N ATOM 1671 CZ ARG A 114 -15.048 8.759 6.272 1.00 40.11 C ATOM 1672 NH1 ARG A 114 -16.004 7.832 6.147 1.00 1.44 N ATOM 1673 NH2 ARG A 114 -15.348 10.042 6.071 1.00 75.12 N ATOM 0 H ARG A 114 -8.754 5.713 7.441 1.00 45.22 H new ATOM 0 HA ARG A 114 -9.361 7.773 7.909 1.00 44.41 H new ATOM 0 HB2 ARG A 114 -11.942 6.678 9.096 1.00 35.14 H new ATOM 0 HB3 ARG A 114 -11.658 8.310 8.526 1.00 35.14 H new ATOM 0 HG2 ARG A 114 -11.342 7.466 6.219 1.00 25.25 H new ATOM 0 HG3 ARG A 114 -11.577 5.822 6.777 1.00 25.25 H new ATOM 0 HD2 ARG A 114 -13.656 6.437 5.879 1.00 45.33 H new ATOM 0 HD3 ARG A 114 -13.875 6.565 7.613 1.00 45.33 H new ATOM 0 HE ARG A 114 -13.107 9.134 6.754 1.00 64.14 H new ATOM 0 HH11 ARG A 114 -15.784 6.848 6.303 1.00 1.44 H new ATOM 0 HH12 ARG A 114 -16.953 8.109 5.896 1.00 1.44 H new ATOM 0 HH21 ARG A 114 -14.626 10.756 6.168 1.00 75.12 H new ATOM 0 HH22 ARG A 114 -16.300 10.310 5.820 1.00 75.12 H new ATOM 1687 N GLU A 115 -8.646 6.585 10.600 1.00 15.23 N ATOM 1688 CA GLU A 115 -8.155 6.834 11.931 1.00 63.00 C ATOM 1689 C GLU A 115 -6.676 7.161 11.894 1.00 53.33 C ATOM 1690 O GLU A 115 -5.918 6.512 11.156 1.00 54.23 O ATOM 1691 CB GLU A 115 -8.357 5.621 12.842 1.00 12.41 C ATOM 1692 CG GLU A 115 -9.792 5.205 13.065 1.00 65.15 C ATOM 1693 CD GLU A 115 -9.902 4.074 14.062 1.00 63.53 C ATOM 1694 OE1 GLU A 115 -9.838 4.339 15.291 1.00 44.43 O ATOM 1695 OE2 GLU A 115 -10.026 2.910 13.656 1.00 61.01 O ATOM 0 H GLU A 115 -8.311 5.718 10.181 1.00 15.23 H new ATOM 0 HA GLU A 115 -8.721 7.677 12.328 1.00 63.00 H new ATOM 0 HB2 GLU A 115 -7.814 4.776 12.418 1.00 12.41 H new ATOM 0 HB3 GLU A 115 -7.905 5.837 13.810 1.00 12.41 H new ATOM 0 HG2 GLU A 115 -10.367 6.060 13.421 1.00 65.15 H new ATOM 0 HG3 GLU A 115 -10.232 4.897 12.117 1.00 65.15 H new ATOM 1702 N PRO A 116 -6.238 8.185 12.651 1.00 40.50 N ATOM 1703 CA PRO A 116 -4.818 8.473 12.812 1.00 32.35 C ATOM 1704 C PRO A 116 -4.156 7.289 13.513 1.00 22.23 C ATOM 1705 O PRO A 116 -4.594 6.872 14.596 1.00 22.24 O ATOM 1706 CB PRO A 116 -4.793 9.724 13.713 1.00 14.33 C ATOM 1707 CG PRO A 116 -6.136 9.777 14.358 1.00 11.52 C ATOM 1708 CD PRO A 116 -7.087 9.144 13.388 1.00 22.04 C ATOM 0 HA PRO A 116 -4.290 8.636 11.872 1.00 32.35 H new ATOM 0 HB2 PRO A 116 -4.002 9.654 14.459 1.00 14.33 H new ATOM 0 HB3 PRO A 116 -4.602 10.624 13.129 1.00 14.33 H new ATOM 0 HG2 PRO A 116 -6.134 9.242 15.308 1.00 11.52 H new ATOM 0 HG3 PRO A 116 -6.425 10.806 14.573 1.00 11.52 H new ATOM 0 HD2 PRO A 116 -7.908 8.642 13.900 1.00 22.04 H new ATOM 0 HD3 PRO A 116 -7.531 9.883 12.721 1.00 22.04 H new ATOM 1716 N ARG A 117 -3.149 6.723 12.908 1.00 12.32 N ATOM 1717 CA ARG A 117 -2.549 5.537 13.445 1.00 51.40 C ATOM 1718 C ARG A 117 -1.067 5.543 13.122 1.00 11.01 C ATOM 1719 O ARG A 117 -0.685 5.810 11.989 1.00 64.43 O ATOM 1720 CB ARG A 117 -3.230 4.311 12.820 1.00 33.52 C ATOM 1721 CG ARG A 117 -2.871 2.986 13.459 1.00 64.30 C ATOM 1722 CD ARG A 117 -3.444 2.844 14.874 1.00 51.24 C ATOM 1723 NE ARG A 117 -4.923 2.858 14.892 1.00 45.22 N ATOM 1724 CZ ARG A 117 -5.702 1.758 14.832 1.00 51.30 C ATOM 1725 NH1 ARG A 117 -5.155 0.562 14.647 1.00 54.44 N ATOM 1726 NH2 ARG A 117 -7.021 1.867 14.941 1.00 64.55 N ATOM 0 H ARG A 117 -2.728 7.064 12.044 1.00 12.32 H new ATOM 0 HA ARG A 117 -2.674 5.501 14.527 1.00 51.40 H new ATOM 0 HB2 ARG A 117 -4.310 4.445 12.878 1.00 33.52 H new ATOM 0 HB3 ARG A 117 -2.970 4.270 11.762 1.00 33.52 H new ATOM 0 HG2 ARG A 117 -3.243 2.173 12.836 1.00 64.30 H new ATOM 0 HG3 ARG A 117 -1.786 2.887 13.498 1.00 64.30 H new ATOM 0 HD2 ARG A 117 -3.088 1.913 15.315 1.00 51.24 H new ATOM 0 HD3 ARG A 117 -3.069 3.656 15.497 1.00 51.24 H new ATOM 0 HE ARG A 117 -5.387 3.764 14.954 1.00 45.22 H new ATOM 0 HH11 ARG A 117 -4.144 0.473 14.550 1.00 54.44 H new ATOM 0 HH12 ARG A 117 -5.746 -0.268 14.602 1.00 54.44 H new ATOM 0 HH21 ARG A 117 -7.448 2.784 15.070 1.00 64.55 H new ATOM 0 HH22 ARG A 117 -7.607 1.033 14.895 1.00 64.55 H new ATOM 1740 N ASN A 118 -0.254 5.278 14.111 1.00 14.44 N ATOM 1741 CA ASN A 118 1.191 5.270 13.940 1.00 60.44 C ATOM 1742 C ASN A 118 1.728 3.860 13.831 1.00 20.34 C ATOM 1743 O ASN A 118 2.679 3.615 13.117 1.00 33.42 O ATOM 1744 CB ASN A 118 1.898 6.037 15.061 1.00 34.43 C ATOM 1745 CG ASN A 118 1.613 7.530 15.023 1.00 61.31 C ATOM 1746 OD1 ASN A 118 0.648 8.011 15.616 1.00 75.24 O ATOM 1747 ND2 ASN A 118 2.441 8.273 14.349 1.00 74.13 N ATOM 0 H ASN A 118 -0.565 5.061 15.058 1.00 14.44 H new ATOM 0 HA ASN A 118 1.404 5.783 13.002 1.00 60.44 H new ATOM 0 HB2 ASN A 118 1.583 5.636 16.024 1.00 34.43 H new ATOM 0 HB3 ASN A 118 2.973 5.875 14.984 1.00 34.43 H new ATOM 0 HD21 ASN A 118 2.299 9.282 14.302 1.00 74.13 H new ATOM 0 HD22 ASN A 118 3.233 7.847 13.867 1.00 74.13 H new ATOM 1754 N ALA A 119 1.142 2.947 14.549 1.00 50.43 N ATOM 1755 CA ALA A 119 1.511 1.558 14.440 1.00 10.23 C ATOM 1756 C ALA A 119 0.265 0.775 14.112 1.00 40.40 C ATOM 1757 O ALA A 119 -0.785 0.985 14.723 1.00 45.45 O ATOM 1758 CB ALA A 119 2.133 1.067 15.740 1.00 0.24 C ATOM 0 H ALA A 119 0.400 3.137 15.223 1.00 50.43 H new ATOM 0 HA ALA A 119 2.255 1.424 13.654 1.00 10.23 H new ATOM 0 HB1 ALA A 119 2.405 0.016 15.639 1.00 0.24 H new ATOM 0 HB2 ALA A 119 3.025 1.653 15.961 1.00 0.24 H new ATOM 0 HB3 ALA A 119 1.415 1.179 16.552 1.00 0.24 H new ATOM 1764 N GLN A 120 0.365 -0.118 13.187 1.00 22.34 N ATOM 1765 CA GLN A 120 -0.780 -0.855 12.729 1.00 61.43 C ATOM 1766 C GLN A 120 -0.405 -2.260 12.326 1.00 4.00 C ATOM 1767 O GLN A 120 0.665 -2.485 11.796 1.00 53.23 O ATOM 1768 CB GLN A 120 -1.429 -0.123 11.515 1.00 64.22 C ATOM 1769 CG GLN A 120 -2.543 -0.916 10.818 1.00 40.40 C ATOM 1770 CD GLN A 120 -3.765 -1.160 11.691 1.00 72.14 C ATOM 1771 OE1 GLN A 120 -3.680 -1.177 12.916 1.00 1.12 O ATOM 1772 NE2 GLN A 120 -4.855 -1.475 11.077 1.00 63.34 N ATOM 0 H GLN A 120 1.239 -0.363 12.722 1.00 22.34 H new ATOM 0 HA GLN A 120 -1.492 -0.913 13.552 1.00 61.43 H new ATOM 0 HB2 GLN A 120 -1.836 0.829 11.856 1.00 64.22 H new ATOM 0 HB3 GLN A 120 -0.652 0.105 10.786 1.00 64.22 H new ATOM 0 HG2 GLN A 120 -2.851 -0.379 9.921 1.00 40.40 H new ATOM 0 HG3 GLN A 120 -2.143 -1.877 10.493 1.00 40.40 H new ATOM 0 HE21 GLN A 120 -4.892 -1.450 10.058 1.00 63.34 H new ATOM 0 HE22 GLN A 120 -5.680 -1.749 11.611 1.00 63.34 H new ATOM 1781 N VAL A 121 -1.283 -3.192 12.598 1.00 11.11 N ATOM 1782 CA VAL A 121 -1.140 -4.519 12.074 1.00 45.33 C ATOM 1783 C VAL A 121 -2.059 -4.521 10.896 1.00 14.42 C ATOM 1784 O VAL A 121 -3.278 -4.382 11.060 1.00 10.25 O ATOM 1785 CB VAL A 121 -1.583 -5.614 13.081 1.00 45.40 C ATOM 1786 CG1 VAL A 121 -1.413 -7.009 12.478 1.00 5.35 C ATOM 1787 CG2 VAL A 121 -0.795 -5.501 14.369 1.00 21.03 C ATOM 0 H VAL A 121 -2.107 -3.051 13.183 1.00 11.11 H new ATOM 0 HA VAL A 121 -0.100 -4.746 11.839 1.00 45.33 H new ATOM 0 HB VAL A 121 -2.639 -5.462 13.303 1.00 45.40 H new ATOM 0 HG11 VAL A 121 -1.730 -7.760 13.202 1.00 5.35 H new ATOM 0 HG12 VAL A 121 -2.022 -7.093 11.578 1.00 5.35 H new ATOM 0 HG13 VAL A 121 -0.365 -7.170 12.223 1.00 5.35 H new ATOM 0 HG21 VAL A 121 -1.119 -6.277 15.063 1.00 21.03 H new ATOM 0 HG22 VAL A 121 0.267 -5.624 14.158 1.00 21.03 H new ATOM 0 HG23 VAL A 121 -0.965 -4.521 14.815 1.00 21.03 H new ATOM 1797 N MET A 122 -1.522 -4.639 9.731 1.00 21.24 N ATOM 1798 CA MET A 122 -2.337 -4.441 8.575 1.00 55.20 C ATOM 1799 C MET A 122 -2.892 -5.738 8.066 1.00 53.25 C ATOM 1800 O MET A 122 -2.182 -6.730 7.909 1.00 1.43 O ATOM 1801 CB MET A 122 -1.628 -3.605 7.528 1.00 51.51 C ATOM 1802 CG MET A 122 -2.515 -3.183 6.374 1.00 1.35 C ATOM 1803 SD MET A 122 -1.896 -1.717 5.537 1.00 33.54 S ATOM 1804 CE MET A 122 -2.203 -0.480 6.807 1.00 21.41 C ATOM 0 H MET A 122 -0.544 -4.866 9.551 1.00 21.24 H new ATOM 0 HA MET A 122 -3.208 -3.852 8.863 1.00 55.20 H new ATOM 0 HB2 MET A 122 -1.220 -2.714 8.004 1.00 51.51 H new ATOM 0 HB3 MET A 122 -0.784 -4.172 7.136 1.00 51.51 H new ATOM 0 HG2 MET A 122 -2.591 -4.002 5.659 1.00 1.35 H new ATOM 0 HG3 MET A 122 -3.522 -2.989 6.745 1.00 1.35 H new ATOM 0 HE1 MET A 122 -1.811 0.483 6.479 1.00 21.41 H new ATOM 0 HE2 MET A 122 -3.276 -0.395 6.980 1.00 21.41 H new ATOM 0 HE3 MET A 122 -1.709 -0.777 7.732 1.00 21.41 H new ATOM 1814 N GLN A 123 -4.165 -5.719 7.840 1.00 40.20 N ATOM 1815 CA GLN A 123 -4.927 -6.892 7.538 1.00 74.41 C ATOM 1816 C GLN A 123 -5.447 -6.809 6.131 1.00 62.02 C ATOM 1817 O GLN A 123 -5.507 -5.730 5.565 1.00 44.31 O ATOM 1818 CB GLN A 123 -6.101 -6.976 8.495 1.00 34.32 C ATOM 1819 CG GLN A 123 -5.738 -6.684 9.947 1.00 43.03 C ATOM 1820 CD GLN A 123 -6.893 -6.886 10.869 1.00 74.24 C ATOM 1821 OE1 GLN A 123 -7.751 -7.739 10.626 1.00 53.44 O ATOM 1822 NE2 GLN A 123 -6.956 -6.103 11.900 1.00 72.40 N ATOM 0 H GLN A 123 -4.721 -4.864 7.860 1.00 40.20 H new ATOM 0 HA GLN A 123 -4.295 -7.774 7.640 1.00 74.41 H new ATOM 0 HB2 GLN A 123 -6.869 -6.272 8.174 1.00 34.32 H new ATOM 0 HB3 GLN A 123 -6.537 -7.973 8.433 1.00 34.32 H new ATOM 0 HG2 GLN A 123 -4.915 -7.331 10.251 1.00 43.03 H new ATOM 0 HG3 GLN A 123 -5.383 -5.657 10.031 1.00 43.03 H new ATOM 0 HE21 GLN A 123 -6.223 -5.412 12.061 1.00 72.40 H new ATOM 0 HE22 GLN A 123 -7.738 -6.178 12.550 1.00 72.40 H new ATOM 1831 N THR A 124 -5.768 -7.939 5.544 1.00 42.23 N ATOM 1832 CA THR A 124 -6.357 -7.926 4.236 1.00 65.32 C ATOM 1833 C THR A 124 -7.720 -7.214 4.310 1.00 14.02 C ATOM 1834 O THR A 124 -8.544 -7.504 5.190 1.00 5.11 O ATOM 1835 CB THR A 124 -6.487 -9.365 3.630 1.00 14.14 C ATOM 1836 OG1 THR A 124 -6.922 -9.307 2.263 1.00 44.53 O ATOM 1837 CG2 THR A 124 -7.424 -10.267 4.431 1.00 73.14 C ATOM 0 H THR A 124 -5.631 -8.865 5.949 1.00 42.23 H new ATOM 0 HA THR A 124 -5.700 -7.378 3.561 1.00 65.32 H new ATOM 0 HB THR A 124 -5.491 -9.805 3.679 1.00 14.14 H new ATOM 0 HG1 THR A 124 -6.995 -10.216 1.904 1.00 44.53 H new ATOM 0 HG21 THR A 124 -7.473 -11.250 3.962 1.00 73.14 H new ATOM 0 HG22 THR A 124 -7.048 -10.369 5.449 1.00 73.14 H new ATOM 0 HG23 THR A 124 -8.421 -9.827 4.455 1.00 73.14 H new ATOM 1845 N GLY A 125 -7.893 -6.230 3.469 1.00 60.32 N ATOM 1846 CA GLY A 125 -9.112 -5.482 3.444 1.00 32.31 C ATOM 1847 C GLY A 125 -8.979 -4.183 4.200 1.00 35.33 C ATOM 1848 O GLY A 125 -9.921 -3.385 4.247 1.00 1.33 O ATOM 0 H GLY A 125 -7.196 -5.929 2.788 1.00 60.32 H new ATOM 0 HA2 GLY A 125 -9.393 -5.276 2.411 1.00 32.31 H new ATOM 0 HA3 GLY A 125 -9.914 -6.077 3.880 1.00 32.31 H new ATOM 1852 N ASP A 126 -7.809 -3.959 4.779 1.00 12.43 N ATOM 1853 CA ASP A 126 -7.546 -2.741 5.539 1.00 25.20 C ATOM 1854 C ASP A 126 -7.259 -1.619 4.546 1.00 4.41 C ATOM 1855 O ASP A 126 -6.679 -1.863 3.465 1.00 51.11 O ATOM 1856 CB ASP A 126 -6.365 -2.956 6.508 1.00 5.23 C ATOM 1857 CG ASP A 126 -6.219 -1.875 7.569 1.00 32.50 C ATOM 1858 OD1 ASP A 126 -7.172 -1.082 7.764 1.00 14.50 O ATOM 1859 OD2 ASP A 126 -5.185 -1.857 8.277 1.00 32.41 O ATOM 0 H ASP A 126 -7.022 -4.606 4.738 1.00 12.43 H new ATOM 0 HA ASP A 126 -8.411 -2.474 6.147 1.00 25.20 H new ATOM 0 HB2 ASP A 126 -6.487 -3.920 7.003 1.00 5.23 H new ATOM 0 HB3 ASP A 126 -5.442 -3.009 5.931 1.00 5.23 H new ATOM 1864 N GLU A 127 -7.665 -0.420 4.879 1.00 70.10 N ATOM 1865 CA GLU A 127 -7.591 0.693 3.957 1.00 31.35 C ATOM 1866 C GLU A 127 -6.717 1.781 4.536 1.00 3.34 C ATOM 1867 O GLU A 127 -6.874 2.170 5.700 1.00 22.13 O ATOM 1868 CB GLU A 127 -8.990 1.251 3.682 1.00 41.44 C ATOM 1869 CG GLU A 127 -9.996 0.216 3.202 1.00 42.14 C ATOM 1870 CD GLU A 127 -11.322 0.826 2.842 1.00 23.20 C ATOM 1871 OE1 GLU A 127 -12.132 1.111 3.739 1.00 15.12 O ATOM 1872 OE2 GLU A 127 -11.576 1.039 1.641 1.00 73.02 O ATOM 0 H GLU A 127 -8.055 -0.185 5.792 1.00 70.10 H new ATOM 0 HA GLU A 127 -7.160 0.341 3.020 1.00 31.35 H new ATOM 0 HB2 GLU A 127 -9.369 1.713 4.593 1.00 41.44 H new ATOM 0 HB3 GLU A 127 -8.913 2.039 2.933 1.00 41.44 H new ATOM 0 HG2 GLU A 127 -9.591 -0.304 2.334 1.00 42.14 H new ATOM 0 HG3 GLU A 127 -10.143 -0.532 3.981 1.00 42.14 H new ATOM 1879 N ILE A 128 -5.828 2.279 3.738 1.00 11.03 N ATOM 1880 CA ILE A 128 -4.879 3.271 4.163 1.00 53.12 C ATOM 1881 C ILE A 128 -5.252 4.615 3.543 1.00 31.54 C ATOM 1882 O ILE A 128 -5.508 4.697 2.335 1.00 30.32 O ATOM 1883 CB ILE A 128 -3.452 2.922 3.660 1.00 52.51 C ATOM 1884 CG1 ILE A 128 -3.156 1.426 3.823 1.00 34.41 C ATOM 1885 CG2 ILE A 128 -2.416 3.741 4.433 1.00 22.11 C ATOM 1886 CD1 ILE A 128 -1.842 0.989 3.204 1.00 41.53 C ATOM 0 H ILE A 128 -5.735 2.008 2.759 1.00 11.03 H new ATOM 0 HA ILE A 128 -4.894 3.308 5.252 1.00 53.12 H new ATOM 0 HB ILE A 128 -3.396 3.166 2.599 1.00 52.51 H new ATOM 0 HG12 ILE A 128 -3.145 1.181 4.885 1.00 34.41 H new ATOM 0 HG13 ILE A 128 -3.967 0.854 3.372 1.00 34.41 H new ATOM 0 HG21 ILE A 128 -1.416 3.493 4.077 1.00 22.11 H new ATOM 0 HG22 ILE A 128 -2.603 4.804 4.278 1.00 22.11 H new ATOM 0 HG23 ILE A 128 -2.490 3.511 5.496 1.00 22.11 H new ATOM 0 HD11 ILE A 128 -1.704 -0.081 3.361 1.00 41.53 H new ATOM 0 HD12 ILE A 128 -1.855 1.200 2.135 1.00 41.53 H new ATOM 0 HD13 ILE A 128 -1.021 1.533 3.671 1.00 41.53 H new ATOM 1898 N GLN A 129 -5.285 5.630 4.352 1.00 4.03 N ATOM 1899 CA GLN A 129 -5.520 6.985 3.912 1.00 51.54 C ATOM 1900 C GLN A 129 -4.196 7.719 3.966 1.00 12.34 C ATOM 1901 O GLN A 129 -3.603 7.864 5.041 1.00 11.45 O ATOM 1902 CB GLN A 129 -6.534 7.680 4.830 1.00 71.14 C ATOM 1903 CG GLN A 129 -6.755 9.171 4.556 1.00 12.41 C ATOM 1904 CD GLN A 129 -7.468 9.465 3.257 1.00 41.34 C ATOM 1905 OE1 GLN A 129 -8.278 8.680 2.789 1.00 52.34 O ATOM 1906 NE2 GLN A 129 -7.191 10.593 2.676 1.00 2.22 N ATOM 0 H GLN A 129 -5.147 5.545 5.359 1.00 4.03 H new ATOM 0 HA GLN A 129 -5.925 6.986 2.900 1.00 51.54 H new ATOM 0 HB2 GLN A 129 -7.491 7.166 4.741 1.00 71.14 H new ATOM 0 HB3 GLN A 129 -6.204 7.563 5.862 1.00 71.14 H new ATOM 0 HG2 GLN A 129 -7.330 9.598 5.377 1.00 12.41 H new ATOM 0 HG3 GLN A 129 -5.788 9.674 4.548 1.00 12.41 H new ATOM 0 HE21 GLN A 129 -6.509 11.227 3.092 1.00 2.22 H new ATOM 0 HE22 GLN A 129 -7.655 10.845 1.803 1.00 2.22 H new ATOM 1915 N ILE A 130 -3.719 8.124 2.835 1.00 0.32 N ATOM 1916 CA ILE A 130 -2.482 8.852 2.741 1.00 21.41 C ATOM 1917 C ILE A 130 -2.777 10.136 1.994 1.00 14.14 C ATOM 1918 O ILE A 130 -3.205 10.089 0.839 1.00 60.12 O ATOM 1919 CB ILE A 130 -1.388 8.026 1.996 1.00 43.45 C ATOM 1920 CG1 ILE A 130 -1.089 6.716 2.745 1.00 34.32 C ATOM 1921 CG2 ILE A 130 -0.117 8.836 1.829 1.00 60.11 C ATOM 1922 CD1 ILE A 130 -0.031 5.842 2.092 1.00 23.15 C ATOM 0 H ILE A 130 -4.176 7.961 1.938 1.00 0.32 H new ATOM 0 HA ILE A 130 -2.093 9.059 3.738 1.00 21.41 H new ATOM 0 HB ILE A 130 -1.772 7.780 1.006 1.00 43.45 H new ATOM 0 HG12 ILE A 130 -0.768 6.957 3.758 1.00 34.32 H new ATOM 0 HG13 ILE A 130 -2.012 6.143 2.831 1.00 34.32 H new ATOM 0 HG21 ILE A 130 0.630 8.238 1.307 1.00 60.11 H new ATOM 0 HG22 ILE A 130 -0.332 9.734 1.250 1.00 60.11 H new ATOM 0 HG23 ILE A 130 0.266 9.119 2.810 1.00 60.11 H new ATOM 0 HD11 ILE A 130 0.115 4.941 2.688 1.00 23.15 H new ATOM 0 HD12 ILE A 130 -0.356 5.565 1.089 1.00 23.15 H new ATOM 0 HD13 ILE A 130 0.908 6.392 2.030 1.00 23.15 H new ATOM 1934 N GLY A 131 -2.597 11.262 2.655 1.00 54.22 N ATOM 1935 CA GLY A 131 -2.938 12.540 2.065 1.00 62.32 C ATOM 1936 C GLY A 131 -4.421 12.616 1.776 1.00 12.31 C ATOM 1937 O GLY A 131 -5.233 12.759 2.698 1.00 62.32 O ATOM 0 H GLY A 131 -2.217 11.318 3.600 1.00 54.22 H new ATOM 0 HA2 GLY A 131 -2.652 13.346 2.741 1.00 62.32 H new ATOM 0 HA3 GLY A 131 -2.375 12.682 1.143 1.00 62.32 H new ATOM 1941 N LYS A 132 -4.773 12.481 0.515 1.00 11.44 N ATOM 1942 CA LYS A 132 -6.162 12.455 0.100 1.00 65.23 C ATOM 1943 C LYS A 132 -6.443 11.188 -0.691 1.00 62.14 C ATOM 1944 O LYS A 132 -7.545 10.988 -1.206 1.00 10.41 O ATOM 1945 CB LYS A 132 -6.548 13.691 -0.747 1.00 71.41 C ATOM 1946 CG LYS A 132 -5.917 13.800 -2.156 1.00 72.22 C ATOM 1947 CD LYS A 132 -4.402 13.990 -2.152 1.00 0.31 C ATOM 1948 CE LYS A 132 -3.979 15.227 -1.372 1.00 54.45 C ATOM 1949 NZ LYS A 132 -4.590 16.458 -1.894 1.00 65.21 N ATOM 0 H LYS A 132 -4.106 12.386 -0.251 1.00 11.44 H new ATOM 0 HA LYS A 132 -6.769 12.475 1.005 1.00 65.23 H new ATOM 0 HB2 LYS A 132 -7.632 13.700 -0.859 1.00 71.41 H new ATOM 0 HB3 LYS A 132 -6.278 14.585 -0.185 1.00 71.41 H new ATOM 0 HG2 LYS A 132 -6.157 12.899 -2.720 1.00 72.22 H new ATOM 0 HG3 LYS A 132 -6.375 14.637 -2.683 1.00 72.22 H new ATOM 0 HD2 LYS A 132 -3.928 13.109 -1.718 1.00 0.31 H new ATOM 0 HD3 LYS A 132 -4.045 14.070 -3.179 1.00 0.31 H new ATOM 0 HE2 LYS A 132 -4.255 15.104 -0.325 1.00 54.45 H new ATOM 0 HE3 LYS A 132 -2.894 15.321 -1.407 1.00 54.45 H new ATOM 0 HZ1 LYS A 132 -3.868 17.204 -1.959 1.00 65.21 H new ATOM 0 HZ2 LYS A 132 -4.985 16.276 -2.839 1.00 65.21 H new ATOM 0 HZ3 LYS A 132 -5.350 16.767 -1.254 1.00 65.21 H new ATOM 1963 N PHE A 133 -5.466 10.329 -0.768 1.00 72.22 N ATOM 1964 CA PHE A 133 -5.582 9.147 -1.565 1.00 50.31 C ATOM 1965 C PHE A 133 -5.647 7.895 -0.716 1.00 30.14 C ATOM 1966 O PHE A 133 -5.199 7.886 0.432 1.00 2.43 O ATOM 1967 CB PHE A 133 -4.513 9.089 -2.669 1.00 32.45 C ATOM 1968 CG PHE A 133 -3.092 9.285 -2.254 1.00 25.32 C ATOM 1969 CD1 PHE A 133 -2.310 8.218 -1.875 1.00 31.21 C ATOM 1970 CD2 PHE A 133 -2.534 10.547 -2.271 1.00 73.24 C ATOM 1971 CE1 PHE A 133 -0.997 8.407 -1.513 1.00 13.22 C ATOM 1972 CE2 PHE A 133 -1.228 10.744 -1.914 1.00 55.23 C ATOM 1973 CZ PHE A 133 -0.453 9.676 -1.533 1.00 51.34 C ATOM 0 H PHE A 133 -4.574 10.429 -0.283 1.00 72.22 H new ATOM 0 HA PHE A 133 -6.538 9.197 -2.086 1.00 50.31 H new ATOM 0 HB2 PHE A 133 -4.590 8.121 -3.163 1.00 32.45 H new ATOM 0 HB3 PHE A 133 -4.755 9.847 -3.414 1.00 32.45 H new ATOM 0 HD1 PHE A 133 -2.731 7.224 -1.862 1.00 31.21 H new ATOM 0 HD2 PHE A 133 -3.137 11.391 -2.570 1.00 73.24 H new ATOM 0 HE1 PHE A 133 -0.392 7.564 -1.213 1.00 13.22 H new ATOM 0 HE2 PHE A 133 -0.807 11.738 -1.932 1.00 55.23 H new ATOM 0 HZ PHE A 133 0.578 9.828 -1.250 1.00 51.34 H new ATOM 1983 N ARG A 134 -6.217 6.845 -1.273 1.00 41.13 N ATOM 1984 CA ARG A 134 -6.468 5.638 -0.516 1.00 73.00 C ATOM 1985 C ARG A 134 -5.824 4.438 -1.159 1.00 41.52 C ATOM 1986 O ARG A 134 -5.883 4.257 -2.389 1.00 70.31 O ATOM 1987 CB ARG A 134 -7.978 5.350 -0.319 1.00 32.33 C ATOM 1988 CG ARG A 134 -8.764 6.397 0.472 1.00 33.30 C ATOM 1989 CD ARG A 134 -9.093 7.631 -0.357 1.00 2.34 C ATOM 1990 NE ARG A 134 -9.712 8.676 0.452 1.00 74.31 N ATOM 1991 CZ ARG A 134 -10.774 9.416 0.106 1.00 64.30 C ATOM 1992 NH1 ARG A 134 -11.443 9.162 -1.017 1.00 12.23 N ATOM 1993 NH2 ARG A 134 -11.174 10.392 0.902 1.00 54.22 N ATOM 0 H ARG A 134 -6.515 6.805 -2.248 1.00 41.13 H new ATOM 0 HA ARG A 134 -6.024 5.814 0.464 1.00 73.00 H new ATOM 0 HB2 ARG A 134 -8.438 5.245 -1.301 1.00 32.33 H new ATOM 0 HB3 ARG A 134 -8.081 4.389 0.186 1.00 32.33 H new ATOM 0 HG2 ARG A 134 -9.689 5.952 0.837 1.00 33.30 H new ATOM 0 HG3 ARG A 134 -8.186 6.695 1.347 1.00 33.30 H new ATOM 0 HD2 ARG A 134 -8.181 8.016 -0.813 1.00 2.34 H new ATOM 0 HD3 ARG A 134 -9.764 7.355 -1.170 1.00 2.34 H new ATOM 0 HE ARG A 134 -9.298 8.860 1.366 1.00 74.31 H new ATOM 0 HH11 ARG A 134 -11.148 8.397 -1.624 1.00 12.23 H new ATOM 0 HH12 ARG A 134 -12.250 9.732 -1.270 1.00 12.23 H new ATOM 0 HH21 ARG A 134 -10.675 10.577 1.772 1.00 54.22 H new ATOM 0 HH22 ARG A 134 -11.982 10.960 0.646 1.00 54.22 H new ATOM 2007 N LEU A 135 -5.223 3.630 -0.339 1.00 40.20 N ATOM 2008 CA LEU A 135 -4.596 2.402 -0.755 1.00 31.31 C ATOM 2009 C LEU A 135 -5.289 1.271 -0.038 1.00 55.31 C ATOM 2010 O LEU A 135 -5.634 1.407 1.128 1.00 52.22 O ATOM 2011 CB LEU A 135 -3.080 2.363 -0.422 1.00 71.42 C ATOM 2012 CG LEU A 135 -2.142 3.365 -1.133 1.00 2.14 C ATOM 2013 CD1 LEU A 135 -2.364 4.797 -0.673 1.00 70.54 C ATOM 2014 CD2 LEU A 135 -0.691 2.963 -0.942 1.00 34.45 C ATOM 0 H LEU A 135 -5.151 3.806 0.663 1.00 40.20 H new ATOM 0 HA LEU A 135 -4.686 2.316 -1.838 1.00 31.31 H new ATOM 0 HB2 LEU A 135 -2.973 2.514 0.652 1.00 71.42 H new ATOM 0 HB3 LEU A 135 -2.718 1.358 -0.641 1.00 71.42 H new ATOM 0 HG LEU A 135 -2.385 3.331 -2.195 1.00 2.14 H new ATOM 0 HD11 LEU A 135 -1.680 5.460 -1.203 1.00 70.54 H new ATOM 0 HD12 LEU A 135 -3.392 5.092 -0.884 1.00 70.54 H new ATOM 0 HD13 LEU A 135 -2.179 4.868 0.399 1.00 70.54 H new ATOM 0 HD21 LEU A 135 -0.045 3.680 -1.449 1.00 34.45 H new ATOM 0 HD22 LEU A 135 -0.454 2.950 0.122 1.00 34.45 H new ATOM 0 HD23 LEU A 135 -0.530 1.970 -1.361 1.00 34.45 H new ATOM 2026 N VAL A 136 -5.520 0.194 -0.714 1.00 3.12 N ATOM 2027 CA VAL A 136 -6.150 -0.948 -0.097 1.00 1.44 C ATOM 2028 C VAL A 136 -5.125 -2.061 -0.022 1.00 1.13 C ATOM 2029 O VAL A 136 -4.421 -2.336 -1.012 1.00 53.23 O ATOM 2030 CB VAL A 136 -7.402 -1.426 -0.892 1.00 62.23 C ATOM 2031 CG1 VAL A 136 -8.065 -2.619 -0.207 1.00 44.51 C ATOM 2032 CG2 VAL A 136 -8.404 -0.287 -1.052 1.00 3.04 C ATOM 0 H VAL A 136 -5.284 0.071 -1.699 1.00 3.12 H new ATOM 0 HA VAL A 136 -6.497 -0.668 0.898 1.00 1.44 H new ATOM 0 HB VAL A 136 -7.069 -1.741 -1.881 1.00 62.23 H new ATOM 0 HG11 VAL A 136 -8.936 -2.932 -0.783 1.00 44.51 H new ATOM 0 HG12 VAL A 136 -7.355 -3.444 -0.146 1.00 44.51 H new ATOM 0 HG13 VAL A 136 -8.378 -2.334 0.798 1.00 44.51 H new ATOM 0 HG21 VAL A 136 -9.271 -0.641 -1.610 1.00 3.04 H new ATOM 0 HG22 VAL A 136 -8.722 0.059 -0.068 1.00 3.04 H new ATOM 0 HG23 VAL A 136 -7.936 0.536 -1.592 1.00 3.04 H new ATOM 2042 N PHE A 137 -5.008 -2.656 1.133 1.00 35.41 N ATOM 2043 CA PHE A 137 -4.048 -3.697 1.360 1.00 13.13 C ATOM 2044 C PHE A 137 -4.765 -5.038 1.361 1.00 0.42 C ATOM 2045 O PHE A 137 -5.641 -5.286 2.194 1.00 14.22 O ATOM 2046 CB PHE A 137 -3.368 -3.445 2.706 1.00 4.25 C ATOM 2047 CG PHE A 137 -2.169 -4.301 3.003 1.00 61.35 C ATOM 2048 CD1 PHE A 137 -0.909 -3.893 2.601 1.00 72.12 C ATOM 2049 CD2 PHE A 137 -2.294 -5.485 3.710 1.00 54.10 C ATOM 2050 CE1 PHE A 137 0.205 -4.646 2.894 1.00 50.11 C ATOM 2051 CE2 PHE A 137 -1.184 -6.245 4.003 1.00 13.31 C ATOM 2052 CZ PHE A 137 0.071 -5.822 3.595 1.00 24.43 C ATOM 0 H PHE A 137 -5.580 -2.430 1.947 1.00 35.41 H new ATOM 0 HA PHE A 137 -3.292 -3.707 0.575 1.00 13.13 H new ATOM 0 HB2 PHE A 137 -3.064 -2.399 2.748 1.00 4.25 H new ATOM 0 HB3 PHE A 137 -4.103 -3.595 3.497 1.00 4.25 H new ATOM 0 HD1 PHE A 137 -0.799 -2.971 2.050 1.00 72.12 H new ATOM 0 HD2 PHE A 137 -3.270 -5.815 4.034 1.00 54.10 H new ATOM 0 HE1 PHE A 137 1.182 -4.315 2.574 1.00 50.11 H new ATOM 0 HE2 PHE A 137 -1.291 -7.170 4.550 1.00 13.31 H new ATOM 0 HZ PHE A 137 0.943 -6.415 3.827 1.00 24.43 H new ATOM 2062 N LEU A 138 -4.430 -5.884 0.428 1.00 24.03 N ATOM 2063 CA LEU A 138 -5.049 -7.183 0.332 1.00 24.23 C ATOM 2064 C LEU A 138 -4.000 -8.252 0.487 1.00 31.24 C ATOM 2065 O LEU A 138 -2.970 -8.210 -0.158 1.00 60.53 O ATOM 2066 CB LEU A 138 -5.770 -7.349 -1.015 1.00 61.41 C ATOM 2067 CG LEU A 138 -6.933 -6.387 -1.292 1.00 32.42 C ATOM 2068 CD1 LEU A 138 -7.471 -6.604 -2.696 1.00 0.20 C ATOM 2069 CD2 LEU A 138 -8.050 -6.576 -0.270 1.00 12.44 C ATOM 0 H LEU A 138 -3.725 -5.698 -0.285 1.00 24.03 H new ATOM 0 HA LEU A 138 -5.788 -7.276 1.128 1.00 24.23 H new ATOM 0 HB2 LEU A 138 -5.035 -7.234 -1.812 1.00 61.41 H new ATOM 0 HB3 LEU A 138 -6.149 -8.369 -1.076 1.00 61.41 H new ATOM 0 HG LEU A 138 -6.558 -5.367 -1.208 1.00 32.42 H new ATOM 0 HD11 LEU A 138 -8.296 -5.915 -2.880 1.00 0.20 H new ATOM 0 HD12 LEU A 138 -6.678 -6.423 -3.422 1.00 0.20 H new ATOM 0 HD13 LEU A 138 -7.826 -7.630 -2.795 1.00 0.20 H new ATOM 0 HD21 LEU A 138 -8.863 -5.883 -0.487 1.00 12.44 H new ATOM 0 HD22 LEU A 138 -8.422 -7.599 -0.322 1.00 12.44 H new ATOM 0 HD23 LEU A 138 -7.664 -6.381 0.731 1.00 12.44 H new ATOM 2081 N ALA A 139 -4.258 -9.197 1.324 1.00 72.41 N ATOM 2082 CA ALA A 139 -3.339 -10.274 1.548 1.00 41.42 C ATOM 2083 C ALA A 139 -3.946 -11.525 1.016 1.00 33.22 C ATOM 2084 O ALA A 139 -5.042 -11.901 1.428 1.00 61.12 O ATOM 2085 CB ALA A 139 -2.987 -10.424 3.028 1.00 54.04 C ATOM 0 H ALA A 139 -5.113 -9.250 1.877 1.00 72.41 H new ATOM 0 HA ALA A 139 -2.405 -10.060 1.029 1.00 41.42 H new ATOM 0 HB1 ALA A 139 -2.288 -11.251 3.154 1.00 54.04 H new ATOM 0 HB2 ALA A 139 -2.528 -9.503 3.388 1.00 54.04 H new ATOM 0 HB3 ALA A 139 -3.893 -10.625 3.599 1.00 54.04 H new ATOM 2091 N GLY A 140 -3.270 -12.159 0.103 1.00 51.23 N ATOM 2092 CA GLY A 140 -3.801 -13.343 -0.503 1.00 65.54 C ATOM 2093 C GLY A 140 -2.719 -14.203 -1.096 1.00 74.41 C ATOM 2094 O GLY A 140 -1.977 -14.849 -0.353 1.00 73.44 O ATOM 0 H GLY A 140 -2.351 -11.876 -0.237 1.00 51.23 H new ATOM 0 HA2 GLY A 140 -4.353 -13.916 0.242 1.00 65.54 H new ATOM 0 HA3 GLY A 140 -4.511 -13.065 -1.282 1.00 65.54 H new ATOM 2098 N PRO A 141 -2.581 -14.207 -2.430 1.00 31.11 N ATOM 2099 CA PRO A 141 -1.603 -15.041 -3.127 1.00 32.32 C ATOM 2100 C PRO A 141 -0.157 -14.581 -2.933 1.00 1.34 C ATOM 2101 O PRO A 141 0.109 -13.436 -2.545 1.00 61.41 O ATOM 2102 CB PRO A 141 -1.998 -14.914 -4.595 1.00 45.34 C ATOM 2103 CG PRO A 141 -2.694 -13.602 -4.690 1.00 22.15 C ATOM 2104 CD PRO A 141 -3.376 -13.388 -3.373 1.00 31.12 C ATOM 0 HA PRO A 141 -1.622 -16.061 -2.743 1.00 32.32 H new ATOM 0 HB2 PRO A 141 -1.123 -14.945 -5.244 1.00 45.34 H new ATOM 0 HB3 PRO A 141 -2.651 -15.731 -4.901 1.00 45.34 H new ATOM 0 HG2 PRO A 141 -1.985 -12.800 -4.895 1.00 22.15 H new ATOM 0 HG3 PRO A 141 -3.417 -13.604 -5.506 1.00 22.15 H new ATOM 0 HD2 PRO A 141 -3.376 -12.336 -3.088 1.00 31.12 H new ATOM 0 HD3 PRO A 141 -4.417 -13.710 -3.404 1.00 31.12 H new ATOM 2112 N ALA A 142 0.761 -15.481 -3.209 1.00 23.54 N ATOM 2113 CA ALA A 142 2.183 -15.215 -3.100 1.00 50.23 C ATOM 2114 C ALA A 142 2.876 -15.648 -4.382 1.00 63.43 C ATOM 2115 O ALA A 142 4.079 -15.904 -4.392 1.00 22.11 O ATOM 2116 CB ALA A 142 2.757 -15.972 -1.915 1.00 51.40 C ATOM 0 H ALA A 142 0.542 -16.428 -3.519 1.00 23.54 H new ATOM 0 HA ALA A 142 2.345 -14.148 -2.947 1.00 50.23 H new ATOM 0 HB1 ALA A 142 3.825 -15.770 -1.837 1.00 51.40 H new ATOM 0 HB2 ALA A 142 2.259 -15.649 -1.001 1.00 51.40 H new ATOM 0 HB3 ALA A 142 2.600 -17.041 -2.056 1.00 51.40 H new ATOM 2122 N GLU A 143 2.097 -15.677 -5.459 1.00 55.41 N ATOM 2123 CA GLU A 143 2.510 -16.117 -6.761 1.00 65.41 C ATOM 2124 C GLU A 143 3.818 -15.461 -7.244 1.00 13.13 C ATOM 2125 O GLU A 143 4.853 -16.152 -7.267 1.00 38.37 O ATOM 2126 CB GLU A 143 1.364 -15.921 -7.746 1.00 71.53 C ATOM 2127 CG GLU A 143 0.772 -14.522 -7.769 1.00 10.54 C ATOM 2128 CD GLU A 143 -0.276 -14.364 -8.825 1.00 63.33 C ATOM 2129 OE1 GLU A 143 0.067 -14.095 -9.974 1.00 71.33 O ATOM 2130 OE2 GLU A 143 -1.481 -14.489 -8.520 1.00 3.42 O ATOM 2131 OXT GLU A 143 3.843 -14.252 -7.544 1.00 38.37 O ATOM 0 H GLU A 143 1.122 -15.379 -5.433 1.00 55.41 H new ATOM 0 HA GLU A 143 2.746 -17.179 -6.696 1.00 65.41 H new ATOM 0 HB2 GLU A 143 1.719 -16.166 -8.747 1.00 71.53 H new ATOM 0 HB3 GLU A 143 0.572 -16.631 -7.506 1.00 71.53 H new ATOM 0 HG2 GLU A 143 0.339 -14.298 -6.794 1.00 10.54 H new ATOM 0 HG3 GLU A 143 1.567 -13.796 -7.939 1.00 10.54 H new