USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 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 67 ASN : amide:sc= -0.331 K(o=-0.4,f=-6.7!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.0669 X(o=-0.4,f=-0.25) USER MOD Set 2.1: A 56 GLN : amide:sc= 0.848 K(o=1.5,f=-0.14) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.617 K(o=1.5,f=-1.6!) USER MOD Set 3.1: A 33 THR OG1 : rot -75:sc= 1.12 USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 1 USER MOD Single : A 20 SER OG : rot 81:sc= 1.36 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 28 THR OG1 : rot -9:sc= 0.255 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.2) USER MOD Single : A 31 SER OG : rot 160:sc= -0.178 USER MOD Single : A 35 SER OG : rot 65:sc= -0.118 USER MOD Single : A 37 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.8) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -130:sc= -0.262 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.144 USER MOD Single : A 61 SER OG : rot 10:sc= 1.05 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 64 THR OG1 : rot -26:sc= 1.18 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -151:sc= 1.33 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.752 K(o=0.75,f=-5!) USER MOD Single : A 83 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 85 TYR OH : rot 168:sc= 0.0383 USER MOD Single : A 88 MET CE :methyl 151:sc= 0 (180deg=-1.31) USER MOD Single : A 93 ASN : amide:sc= -0.367 K(o=-0.37,f=-8.1!) USER MOD Single : A 95 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.59) USER MOD Single : A 98 SER OG : rot 90:sc= 0.281 USER MOD Single : A 101 SER OG : rot 150:sc= 0.766 USER MOD Single : A 103 MET CE :methyl -176:sc= 0 (180deg=-0.0299) USER MOD Single : A 104 SER OG : rot 180:sc= 0.127 USER MOD Single : A 109 THR OG1 : rot -160:sc= 1.46 USER MOD Single : A 110 GLN : amide:sc= -0.0919 K(o=-0.092,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 15 8.925 -0.483 -2.004 1.00 0.00 N ATOM 178 CA LEU A 15 7.561 -0.005 -2.220 1.00 0.00 C ATOM 179 C LEU A 15 7.407 1.435 -1.709 1.00 0.00 C ATOM 180 O LEU A 15 8.269 1.896 -0.957 1.00 0.00 O ATOM 181 CB LEU A 15 6.594 -0.982 -1.530 1.00 0.00 C ATOM 182 CG LEU A 15 6.659 -2.404 -2.124 1.00 0.00 C ATOM 183 CD1 LEU A 15 5.859 -3.404 -1.285 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.168 -2.425 -3.567 1.00 0.00 C ATOM 0 HA LEU A 15 7.327 0.023 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.827 -1.026 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.576 -0.602 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 15 7.706 -2.705 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.929 -4.394 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.263 -3.436 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.814 -3.095 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.227 -3.441 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.134 -2.081 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.792 -1.768 -4.173 1.00 0.00 H new ATOM 196 N PRO A 16 6.358 2.174 -2.120 1.00 0.00 N ATOM 197 CA PRO A 16 6.109 3.527 -1.638 1.00 0.00 C ATOM 198 C PRO A 16 5.869 3.557 -0.126 1.00 0.00 C ATOM 199 O PRO A 16 5.555 2.538 0.493 1.00 0.00 O ATOM 200 CB PRO A 16 4.875 4.053 -2.386 1.00 0.00 C ATOM 201 CG PRO A 16 4.590 3.024 -3.472 1.00 0.00 C ATOM 202 CD PRO A 16 5.332 1.758 -3.055 1.00 0.00 C ATOM 0 HA PRO A 16 6.982 4.153 -1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.024 4.160 -1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.066 5.036 -2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.520 2.838 -3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.935 3.376 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.651 1.044 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.773 1.263 -3.921 1.00 0.00 H new ATOM 210 N GLY A 17 5.942 4.746 0.465 1.00 0.00 N ATOM 211 CA GLY A 17 5.434 5.010 1.798 1.00 0.00 C ATOM 212 C GLY A 17 3.911 4.868 1.772 1.00 0.00 C ATOM 213 O GLY A 17 3.283 5.516 0.924 1.00 0.00 O ATOM 0 H GLY A 17 6.363 5.562 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.868 4.312 2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.716 6.013 2.119 1.00 0.00 H new ATOM 217 N PRO A 18 3.298 4.052 2.649 1.00 0.00 N ATOM 218 CA PRO A 18 1.860 3.833 2.630 1.00 0.00 C ATOM 219 C PRO A 18 1.079 5.135 2.891 1.00 0.00 C ATOM 220 O PRO A 18 1.597 6.072 3.513 1.00 0.00 O ATOM 221 CB PRO A 18 1.575 2.738 3.667 1.00 0.00 C ATOM 222 CG PRO A 18 2.809 2.749 4.569 1.00 0.00 C ATOM 223 CD PRO A 18 3.929 3.193 3.636 1.00 0.00 C ATOM 0 HA PRO A 18 1.521 3.509 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.667 2.950 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.436 1.766 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.688 3.437 5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.006 1.764 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.705 3.728 4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.407 2.336 3.161 1.00 0.00 H new ATOM 231 N PRO A 19 -0.171 5.220 2.405 1.00 0.00 N ATOM 232 CA PRO A 19 -0.997 6.407 2.525 1.00 0.00 C ATOM 233 C PRO A 19 -1.640 6.499 3.917 1.00 0.00 C ATOM 234 O PRO A 19 -1.555 5.575 4.736 1.00 0.00 O ATOM 235 CB PRO A 19 -2.038 6.262 1.411 1.00 0.00 C ATOM 236 CG PRO A 19 -2.188 4.751 1.204 1.00 0.00 C ATOM 237 CD PRO A 19 -0.932 4.134 1.807 1.00 0.00 C ATOM 0 HA PRO A 19 -0.425 7.329 2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.987 6.718 1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.709 6.755 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.085 4.374 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.277 4.506 0.146 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.191 3.386 2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.345 3.628 1.041 1.00 0.00 H new ATOM 245 N SER A 20 -2.308 7.620 4.192 1.00 0.00 N ATOM 246 CA SER A 20 -3.041 7.799 5.440 1.00 0.00 C ATOM 247 C SER A 20 -4.239 6.846 5.526 1.00 0.00 C ATOM 248 O SER A 20 -4.686 6.283 4.521 1.00 0.00 O ATOM 249 CB SER A 20 -3.491 9.264 5.549 1.00 0.00 C ATOM 250 OG SER A 20 -4.488 9.618 4.602 1.00 0.00 O ATOM 0 H SER A 20 -2.355 8.420 3.561 1.00 0.00 H new ATOM 0 HA SER A 20 -2.385 7.559 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.873 9.445 6.553 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.626 9.913 5.415 1.00 0.00 H new ATOM 0 HG SER A 20 -5.365 9.323 4.925 1.00 0.00 H new ATOM 256 N LYS A 21 -4.867 6.772 6.706 1.00 0.00 N ATOM 257 CA LYS A 21 -6.290 6.453 6.800 1.00 0.00 C ATOM 258 C LYS A 21 -7.032 7.374 5.829 1.00 0.00 C ATOM 259 O LYS A 21 -6.849 8.594 5.919 1.00 0.00 O ATOM 260 CB LYS A 21 -6.780 6.628 8.247 1.00 0.00 C ATOM 261 CG LYS A 21 -8.257 6.231 8.446 1.00 0.00 C ATOM 262 CD LYS A 21 -9.143 7.399 8.900 1.00 0.00 C ATOM 263 CE LYS A 21 -10.591 6.942 9.103 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.512 8.062 9.386 1.00 0.00 N ATOM 0 H LYS A 21 -4.410 6.929 7.605 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.479 5.414 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.157 6.026 8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.648 7.668 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.647 5.830 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.315 5.431 9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.755 7.814 9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.110 8.196 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.930 6.416 8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.630 6.229 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.476 7.694 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.209 8.550 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.500 8.731 8.590 1.00 0.00 H new ATOM 278 N PRO A 22 -7.824 6.839 4.888 1.00 0.00 N ATOM 279 CA PRO A 22 -8.705 7.666 4.090 1.00 0.00 C ATOM 280 C PRO A 22 -9.809 8.219 4.976 1.00 0.00 C ATOM 281 O PRO A 22 -10.237 7.578 5.939 1.00 0.00 O ATOM 282 CB PRO A 22 -9.270 6.761 2.990 1.00 0.00 C ATOM 283 CG PRO A 22 -9.170 5.365 3.604 1.00 0.00 C ATOM 284 CD PRO A 22 -7.974 5.434 4.545 1.00 0.00 C ATOM 0 HA PRO A 22 -8.186 8.516 3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.300 7.020 2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.693 6.838 2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.081 5.104 4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.025 4.605 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.142 4.829 5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.074 5.050 4.064 1.00 0.00 H new ATOM 292 N GLN A 23 -10.287 9.400 4.608 1.00 0.00 N ATOM 293 CA GLN A 23 -11.429 10.049 5.208 1.00 0.00 C ATOM 294 C GLN A 23 -12.532 10.062 4.175 1.00 0.00 C ATOM 295 O GLN A 23 -12.331 10.495 3.037 1.00 0.00 O ATOM 296 CB GLN A 23 -11.069 11.452 5.697 1.00 0.00 C ATOM 297 CG GLN A 23 -9.945 11.353 6.737 1.00 0.00 C ATOM 298 CD GLN A 23 -9.960 12.509 7.739 1.00 0.00 C ATOM 299 OE1 GLN A 23 -10.537 13.569 7.505 1.00 0.00 O ATOM 300 NE2 GLN A 23 -9.354 12.333 8.899 1.00 0.00 N ATOM 0 H GLN A 23 -9.870 9.947 3.855 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.765 9.508 6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.751 12.071 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.944 11.933 6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.037 10.410 7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.983 11.335 6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.875 11.454 9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.365 13.076 9.598 1.00 0.00 H new ATOM 309 N VAL A 24 -13.665 9.506 4.571 1.00 0.00 N ATOM 310 CA VAL A 24 -14.875 9.540 3.767 1.00 0.00 C ATOM 311 C VAL A 24 -15.367 10.985 3.699 1.00 0.00 C ATOM 312 O VAL A 24 -15.286 11.724 4.688 1.00 0.00 O ATOM 313 CB VAL A 24 -15.892 8.543 4.357 1.00 0.00 C ATOM 314 CG1 VAL A 24 -17.341 8.786 3.913 1.00 0.00 C ATOM 315 CG2 VAL A 24 -15.451 7.131 3.936 1.00 0.00 C ATOM 0 H VAL A 24 -13.772 9.018 5.460 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.703 9.222 2.739 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.895 8.672 5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.992 8.042 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -17.654 9.783 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.407 8.706 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -16.150 6.397 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.438 7.063 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -14.452 6.931 4.324 1.00 0.00 H new ATOM 325 N THR A 25 -15.888 11.387 2.541 1.00 0.00 N ATOM 326 CA THR A 25 -16.450 12.712 2.339 1.00 0.00 C ATOM 327 C THR A 25 -17.900 12.561 1.897 1.00 0.00 C ATOM 328 O THR A 25 -18.810 12.560 2.728 1.00 0.00 O ATOM 329 CB THR A 25 -15.562 13.520 1.373 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.197 12.747 0.238 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.289 13.988 2.083 1.00 0.00 C ATOM 0 H THR A 25 -15.930 10.794 1.712 1.00 0.00 H new ATOM 0 HA THR A 25 -16.463 13.290 3.263 1.00 0.00 H new ATOM 0 HB THR A 25 -16.141 14.382 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.636 13.286 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.673 14.557 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.556 14.619 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.731 13.122 2.437 1.00 0.00 H new ATOM 339 N ASP A 26 -18.115 12.428 0.593 1.00 0.00 N ATOM 340 CA ASP A 26 -19.420 12.261 -0.003 1.00 0.00 C ATOM 341 C ASP A 26 -19.881 10.833 0.208 1.00 0.00 C ATOM 342 O ASP A 26 -19.117 9.916 -0.067 1.00 0.00 O ATOM 343 CB ASP A 26 -19.332 12.537 -1.497 1.00 0.00 C ATOM 344 CG ASP A 26 -20.666 12.278 -2.188 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.721 12.679 -1.647 1.00 0.00 O ATOM 346 OD2 ASP A 26 -20.650 11.609 -3.243 1.00 0.00 O ATOM 0 H ASP A 26 -17.359 12.435 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.125 12.953 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.030 13.572 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.562 11.906 -1.941 1.00 0.00 H new ATOM 351 N VAL A 27 -21.122 10.610 0.616 1.00 0.00 N ATOM 352 CA VAL A 27 -21.697 9.274 0.621 1.00 0.00 C ATOM 353 C VAL A 27 -23.134 9.333 0.130 1.00 0.00 C ATOM 354 O VAL A 27 -23.896 10.239 0.463 1.00 0.00 O ATOM 355 CB VAL A 27 -21.485 8.586 1.983 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.075 9.356 3.170 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.044 7.156 1.965 1.00 0.00 C ATOM 0 H VAL A 27 -21.751 11.340 0.949 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.175 8.628 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.405 8.565 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -21.884 8.806 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -21.611 10.340 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.150 9.470 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -21.883 6.690 2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.112 7.186 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.534 6.576 1.196 1.00 0.00 H new ATOM 367 N THR A 28 -23.476 8.347 -0.688 1.00 0.00 N ATOM 368 CA THR A 28 -24.758 8.193 -1.348 1.00 0.00 C ATOM 369 C THR A 28 -25.286 6.784 -1.030 1.00 0.00 C ATOM 370 O THR A 28 -24.879 6.178 -0.029 1.00 0.00 O ATOM 371 CB THR A 28 -24.598 8.515 -2.846 1.00 0.00 C ATOM 372 OG1 THR A 28 -23.573 7.734 -3.413 1.00 0.00 O ATOM 373 CG2 THR A 28 -24.248 9.974 -3.135 1.00 0.00 C ATOM 0 H THR A 28 -22.828 7.594 -0.919 1.00 0.00 H new ATOM 0 HA THR A 28 -25.510 8.894 -0.986 1.00 0.00 H new ATOM 0 HB THR A 28 -25.573 8.297 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.094 7.257 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 28 -24.153 10.119 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.037 10.620 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.304 10.225 -2.650 1.00 0.00 H new ATOM 381 N LYS A 29 -26.254 6.278 -1.799 1.00 0.00 N ATOM 382 CA LYS A 29 -26.891 4.990 -1.534 1.00 0.00 C ATOM 383 C LYS A 29 -25.992 3.834 -1.965 1.00 0.00 C ATOM 384 O LYS A 29 -26.091 2.755 -1.400 1.00 0.00 O ATOM 385 CB LYS A 29 -28.292 4.972 -2.191 1.00 0.00 C ATOM 386 CG LYS A 29 -28.399 4.259 -3.548 1.00 0.00 C ATOM 387 CD LYS A 29 -29.556 4.779 -4.406 1.00 0.00 C ATOM 388 CE LYS A 29 -29.500 4.026 -5.734 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.550 4.443 -6.677 1.00 0.00 N ATOM 0 H LYS A 29 -26.617 6.753 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 29 -27.035 4.854 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.988 4.497 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.623 6.003 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.464 4.385 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.529 3.190 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.511 4.612 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.464 5.853 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.524 4.183 -6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.594 2.957 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.461 3.898 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.485 4.269 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -30.447 5.457 -6.885 1.00 0.00 H new ATOM 403 N ASN A 30 -25.139 4.015 -2.969 1.00 0.00 N ATOM 404 CA ASN A 30 -24.262 2.958 -3.476 1.00 0.00 C ATOM 405 C ASN A 30 -22.973 3.519 -4.059 1.00 0.00 C ATOM 406 O ASN A 30 -22.247 2.776 -4.730 1.00 0.00 O ATOM 407 CB ASN A 30 -24.972 2.029 -4.478 1.00 0.00 C ATOM 408 CG ASN A 30 -25.711 2.755 -5.586 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.346 3.839 -6.029 1.00 0.00 O ATOM 410 ND2 ASN A 30 -26.833 2.191 -5.992 1.00 0.00 N ATOM 0 H ASN A 30 -25.034 4.904 -3.458 1.00 0.00 H new ATOM 0 HA ASN A 30 -23.995 2.347 -2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.233 1.364 -4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.679 1.402 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.416 2.657 -6.688 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.118 1.289 -5.610 1.00 0.00 H new ATOM 417 N SER A 31 -22.662 4.790 -3.781 1.00 0.00 N ATOM 418 CA SER A 31 -21.310 5.293 -3.906 1.00 0.00 C ATOM 419 C SER A 31 -20.837 5.986 -2.616 1.00 0.00 C ATOM 420 O SER A 31 -21.644 6.338 -1.749 1.00 0.00 O ATOM 421 CB SER A 31 -21.226 6.215 -5.125 1.00 0.00 C ATOM 422 OG SER A 31 -21.903 5.685 -6.253 1.00 0.00 O ATOM 0 H SER A 31 -23.340 5.484 -3.467 1.00 0.00 H new ATOM 0 HA SER A 31 -20.631 4.454 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.652 7.186 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.179 6.382 -5.379 1.00 0.00 H new ATOM 0 HG SER A 31 -22.103 6.408 -6.884 1.00 0.00 H new ATOM 428 N VAL A 32 -19.530 6.186 -2.461 1.00 0.00 N ATOM 429 CA VAL A 32 -18.910 7.010 -1.424 1.00 0.00 C ATOM 430 C VAL A 32 -17.595 7.557 -1.998 1.00 0.00 C ATOM 431 O VAL A 32 -16.974 6.883 -2.815 1.00 0.00 O ATOM 432 CB VAL A 32 -18.757 6.223 -0.093 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.403 4.750 -0.224 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.765 6.856 0.874 1.00 0.00 C ATOM 0 H VAL A 32 -18.843 5.759 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.540 7.858 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.770 6.283 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.323 4.305 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.181 4.238 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.451 4.650 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.708 6.255 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.781 6.903 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.095 7.864 1.126 1.00 0.00 H new ATOM 444 N THR A 33 -17.191 8.769 -1.612 1.00 0.00 N ATOM 445 CA THR A 33 -15.909 9.374 -1.936 1.00 0.00 C ATOM 446 C THR A 33 -14.987 9.270 -0.723 1.00 0.00 C ATOM 447 O THR A 33 -15.433 9.256 0.428 1.00 0.00 O ATOM 448 CB THR A 33 -16.104 10.820 -2.431 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.010 10.788 -3.528 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.807 11.475 -2.940 1.00 0.00 C ATOM 0 H THR A 33 -17.778 9.377 -1.041 1.00 0.00 H new ATOM 0 HA THR A 33 -15.432 8.838 -2.757 1.00 0.00 H new ATOM 0 HB THR A 33 -16.465 11.402 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.549 10.449 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.019 12.491 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.073 11.502 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.410 10.896 -3.774 1.00 0.00 H new ATOM 458 N LEU A 34 -13.696 9.172 -1.016 1.00 0.00 N ATOM 459 CA LEU A 34 -12.588 8.923 -0.116 1.00 0.00 C ATOM 460 C LEU A 34 -11.540 9.979 -0.381 1.00 0.00 C ATOM 461 O LEU A 34 -11.381 10.386 -1.529 1.00 0.00 O ATOM 462 CB LEU A 34 -11.965 7.574 -0.486 1.00 0.00 C ATOM 463 CG LEU A 34 -12.852 6.354 -0.228 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.223 5.174 -0.975 1.00 0.00 C ATOM 465 CD2 LEU A 34 -12.932 6.084 1.273 1.00 0.00 C ATOM 0 H LEU A 34 -13.374 9.275 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.923 8.933 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.699 7.593 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.038 7.454 0.074 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.870 6.517 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.826 4.280 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.180 5.399 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.214 5.002 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.564 5.215 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.932 5.892 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.357 6.952 1.777 1.00 0.00 H new ATOM 477 N SER A 35 -10.802 10.354 0.661 1.00 0.00 N ATOM 478 CA SER A 35 -9.776 11.380 0.606 1.00 0.00 C ATOM 479 C SER A 35 -8.583 10.934 1.443 1.00 0.00 C ATOM 480 O SER A 35 -8.730 10.769 2.659 1.00 0.00 O ATOM 481 CB SER A 35 -10.368 12.709 1.112 1.00 0.00 C ATOM 482 OG SER A 35 -11.722 12.889 0.764 1.00 0.00 O ATOM 0 H SER A 35 -10.907 9.940 1.587 1.00 0.00 H new ATOM 0 HA SER A 35 -9.432 11.532 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.271 12.751 2.197 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.784 13.535 0.707 1.00 0.00 H new ATOM 0 HG SER A 35 -12.267 12.205 1.206 1.00 0.00 H new ATOM 488 N TRP A 36 -7.419 10.690 0.831 1.00 0.00 N ATOM 489 CA TRP A 36 -6.246 10.191 1.556 1.00 0.00 C ATOM 490 C TRP A 36 -4.985 10.949 1.154 1.00 0.00 C ATOM 491 O TRP A 36 -4.899 11.480 0.043 1.00 0.00 O ATOM 492 CB TRP A 36 -6.105 8.680 1.347 1.00 0.00 C ATOM 493 CG TRP A 36 -5.812 8.254 -0.056 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.575 8.105 -0.569 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.733 7.948 -1.148 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.661 7.812 -1.913 1.00 0.00 N ATOM 497 CE2 TRP A 36 -5.967 7.697 -2.324 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.135 7.842 -1.263 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.555 7.416 -3.562 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.738 7.519 -2.492 1.00 0.00 C ATOM 501 CH2 TRP A 36 -7.952 7.340 -3.643 1.00 0.00 C ATOM 0 H TRP A 36 -7.264 10.831 -0.167 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.388 10.369 2.622 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.309 8.313 1.995 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.027 8.197 1.671 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.655 8.201 -0.011 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.855 7.695 -2.527 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.754 8.011 -0.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.944 7.261 -4.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.811 7.408 -2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.426 7.143 -4.593 1.00 0.00 H new ATOM 512 N GLN A 37 -4.007 11.015 2.056 1.00 0.00 N ATOM 513 CA GLN A 37 -2.738 11.674 1.821 1.00 0.00 C ATOM 514 C GLN A 37 -1.727 10.644 1.317 1.00 0.00 C ATOM 515 O GLN A 37 -1.711 9.509 1.811 1.00 0.00 O ATOM 516 CB GLN A 37 -2.193 12.340 3.095 1.00 0.00 C ATOM 517 CG GLN A 37 -3.086 13.451 3.669 1.00 0.00 C ATOM 518 CD GLN A 37 -3.281 14.644 2.731 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.674 14.753 1.671 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.182 15.552 3.071 1.00 0.00 N ATOM 0 H GLN A 37 -4.083 10.602 2.986 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.895 12.456 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.053 11.574 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.210 12.758 2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.062 13.029 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.651 13.805 4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.688 15.463 3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.370 16.340 2.452 1.00 0.00 H new ATOM 529 N PRO A 38 -0.887 11.042 0.355 1.00 0.00 N ATOM 530 CA PRO A 38 0.138 10.199 -0.229 1.00 0.00 C ATOM 531 C PRO A 38 1.343 10.170 0.699 1.00 0.00 C ATOM 532 O PRO A 38 1.655 11.171 1.348 1.00 0.00 O ATOM 533 CB PRO A 38 0.496 10.867 -1.564 1.00 0.00 C ATOM 534 CG PRO A 38 0.208 12.347 -1.304 1.00 0.00 C ATOM 535 CD PRO A 38 -0.912 12.346 -0.277 1.00 0.00 C ATOM 0 HA PRO A 38 -0.190 9.170 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.540 10.701 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.108 10.477 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.091 12.862 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.093 12.859 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.765 13.137 0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.875 12.528 -0.753 1.00 0.00 H new ATOM 543 N GLY A 39 2.058 9.051 0.718 1.00 0.00 N ATOM 544 CA GLY A 39 3.386 9.009 1.288 1.00 0.00 C ATOM 545 C GLY A 39 4.438 9.495 0.298 1.00 0.00 C ATOM 546 O GLY A 39 4.150 9.846 -0.852 1.00 0.00 O ATOM 0 H GLY A 39 1.732 8.161 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.417 9.627 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.618 7.989 1.595 1.00 0.00 H new ATOM 550 N THR A 40 5.682 9.442 0.748 1.00 0.00 N ATOM 551 CA THR A 40 6.889 9.412 -0.041 1.00 0.00 C ATOM 552 C THR A 40 6.797 8.234 -1.027 1.00 0.00 C ATOM 553 O THR A 40 6.095 7.253 -0.766 1.00 0.00 O ATOM 554 CB THR A 40 8.062 9.283 0.960 1.00 0.00 C ATOM 555 OG1 THR A 40 8.332 10.558 1.518 1.00 0.00 O ATOM 556 CG2 THR A 40 9.372 8.689 0.438 1.00 0.00 C ATOM 0 H THR A 40 5.881 9.417 1.748 1.00 0.00 H new ATOM 0 HA THR A 40 7.039 10.310 -0.641 1.00 0.00 H new ATOM 0 HB THR A 40 7.708 8.554 1.689 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.073 10.486 2.155 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.104 8.658 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.193 7.678 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.753 9.307 -0.375 1.00 0.00 H new ATOM 564 N PRO A 41 7.498 8.323 -2.160 1.00 0.00 N ATOM 565 CA PRO A 41 7.820 7.191 -3.010 1.00 0.00 C ATOM 566 C PRO A 41 8.917 6.354 -2.317 1.00 0.00 C ATOM 567 O PRO A 41 8.680 5.810 -1.235 1.00 0.00 O ATOM 568 CB PRO A 41 8.166 7.851 -4.350 1.00 0.00 C ATOM 569 CG PRO A 41 8.709 9.232 -3.995 1.00 0.00 C ATOM 570 CD PRO A 41 7.968 9.581 -2.716 1.00 0.00 C ATOM 0 HA PRO A 41 7.034 6.456 -3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.906 7.266 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.286 7.927 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.788 9.213 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.512 9.957 -4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.625 10.095 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.133 10.251 -2.921 1.00 0.00 H new ATOM 578 N GLY A 42 10.119 6.280 -2.884 1.00 0.00 N ATOM 579 CA GLY A 42 11.331 5.823 -2.222 1.00 0.00 C ATOM 580 C GLY A 42 12.347 5.398 -3.273 1.00 0.00 C ATOM 581 O GLY A 42 12.835 6.230 -4.037 1.00 0.00 O ATOM 0 H GLY A 42 10.278 6.548 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.743 6.619 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.105 4.988 -1.559 1.00 0.00 H new ATOM 585 N THR A 43 12.603 4.100 -3.371 1.00 0.00 N ATOM 586 CA THR A 43 13.492 3.462 -4.319 1.00 0.00 C ATOM 587 C THR A 43 13.058 3.713 -5.762 1.00 0.00 C ATOM 588 O THR A 43 13.895 3.856 -6.654 1.00 0.00 O ATOM 589 CB THR A 43 13.450 1.964 -3.994 1.00 0.00 C ATOM 590 OG1 THR A 43 12.122 1.507 -3.889 1.00 0.00 O ATOM 591 CG2 THR A 43 14.193 1.604 -2.711 1.00 0.00 C ATOM 0 H THR A 43 12.163 3.424 -2.746 1.00 0.00 H new ATOM 0 HA THR A 43 14.500 3.867 -4.234 1.00 0.00 H new ATOM 0 HB THR A 43 13.956 1.472 -4.825 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.121 0.549 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.124 0.530 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.241 1.890 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.746 2.135 -1.870 1.00 0.00 H new ATOM 599 N LEU A 44 11.748 3.769 -5.993 1.00 0.00 N ATOM 600 CA LEU A 44 11.117 3.843 -7.299 1.00 0.00 C ATOM 601 C LEU A 44 10.057 4.945 -7.280 1.00 0.00 C ATOM 602 O LEU A 44 9.772 5.502 -6.217 1.00 0.00 O ATOM 603 CB LEU A 44 10.515 2.459 -7.612 1.00 0.00 C ATOM 604 CG LEU A 44 11.571 1.437 -8.067 1.00 0.00 C ATOM 605 CD1 LEU A 44 10.965 0.034 -8.045 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.099 1.773 -9.466 1.00 0.00 C ATOM 0 H LEU A 44 11.068 3.763 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 44 11.833 4.095 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.008 2.080 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.759 2.564 -8.390 1.00 0.00 H new ATOM 0 HG LEU A 44 12.415 1.476 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.713 -0.690 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.640 -0.206 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.109 -0.003 -8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.844 1.034 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.274 1.762 -10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.555 2.763 -9.455 1.00 0.00 H new ATOM 618 N PRO A 45 9.507 5.330 -8.439 1.00 0.00 N ATOM 619 CA PRO A 45 8.334 6.184 -8.526 1.00 0.00 C ATOM 620 C PRO A 45 7.078 5.331 -8.377 1.00 0.00 C ATOM 621 O PRO A 45 7.077 4.134 -8.657 1.00 0.00 O ATOM 622 CB PRO A 45 8.454 6.806 -9.917 1.00 0.00 C ATOM 623 CG PRO A 45 9.056 5.677 -10.758 1.00 0.00 C ATOM 624 CD PRO A 45 9.937 4.921 -9.769 1.00 0.00 C ATOM 0 HA PRO A 45 8.270 6.947 -7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.484 7.121 -10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.095 7.687 -9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.282 5.034 -11.178 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.636 6.066 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.830 3.844 -9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.989 5.157 -9.927 1.00 0.00 H new ATOM 632 N ALA A 46 5.993 5.959 -7.941 1.00 0.00 N ATOM 633 CA ALA A 46 4.680 5.339 -7.909 1.00 0.00 C ATOM 634 C ALA A 46 4.141 5.199 -9.337 1.00 0.00 C ATOM 635 O ALA A 46 4.574 5.893 -10.262 1.00 0.00 O ATOM 636 CB ALA A 46 3.807 6.204 -7.005 1.00 0.00 C ATOM 0 H ALA A 46 6.003 6.920 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 46 4.702 4.327 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.806 5.777 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.242 6.241 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.749 7.213 -7.413 1.00 0.00 H new ATOM 642 N SER A 47 3.168 4.311 -9.500 1.00 0.00 N ATOM 643 CA SER A 47 2.557 3.932 -10.765 1.00 0.00 C ATOM 644 C SER A 47 1.066 4.292 -10.751 1.00 0.00 C ATOM 645 O SER A 47 0.568 4.824 -11.749 1.00 0.00 O ATOM 646 CB SER A 47 2.792 2.430 -11.011 1.00 0.00 C ATOM 647 OG SER A 47 4.043 2.158 -11.607 1.00 0.00 O ATOM 0 H SER A 47 2.763 3.810 -8.709 1.00 0.00 H new ATOM 0 HA SER A 47 3.014 4.482 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.724 1.897 -10.063 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.999 2.044 -11.651 1.00 0.00 H new ATOM 0 HG SER A 47 4.140 1.192 -11.738 1.00 0.00 H new ATOM 653 N ALA A 48 0.346 4.024 -9.650 1.00 0.00 N ATOM 654 CA ALA A 48 -1.088 4.315 -9.502 1.00 0.00 C ATOM 655 C ALA A 48 -1.514 4.081 -8.042 1.00 0.00 C ATOM 656 O ALA A 48 -0.659 3.810 -7.205 1.00 0.00 O ATOM 657 CB ALA A 48 -1.877 3.439 -10.483 1.00 0.00 C ATOM 0 H ALA A 48 0.753 3.590 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.296 5.359 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.942 3.647 -10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.560 3.658 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.690 2.388 -10.263 1.00 0.00 H new ATOM 663 N TYR A 49 -2.810 4.137 -7.720 1.00 0.00 N ATOM 664 CA TYR A 49 -3.392 3.691 -6.468 1.00 0.00 C ATOM 665 C TYR A 49 -4.357 2.534 -6.779 1.00 0.00 C ATOM 666 O TYR A 49 -4.759 2.316 -7.927 1.00 0.00 O ATOM 667 CB TYR A 49 -4.054 4.899 -5.755 1.00 0.00 C ATOM 668 CG TYR A 49 -3.122 5.654 -4.844 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.834 5.151 -3.570 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.521 6.844 -5.288 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.931 5.822 -2.732 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.575 7.495 -4.473 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.267 6.977 -3.197 1.00 0.00 C ATOM 674 OH TYR A 49 -0.305 7.563 -2.434 1.00 0.00 O ATOM 0 H TYR A 49 -3.508 4.514 -8.361 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.644 3.308 -5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.444 5.584 -6.508 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.906 4.544 -5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.309 4.242 -3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.784 7.258 -6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.744 5.455 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.085 8.391 -4.825 1.00 0.00 H new ATOM 0 HH TYR A 49 0.052 8.347 -2.902 1.00 0.00 H new ATOM 684 N ILE A 50 -4.750 1.814 -5.740 1.00 0.00 N ATOM 685 CA ILE A 50 -5.812 0.827 -5.652 1.00 0.00 C ATOM 686 C ILE A 50 -6.657 1.267 -4.457 1.00 0.00 C ATOM 687 O ILE A 50 -6.130 1.874 -3.517 1.00 0.00 O ATOM 688 CB ILE A 50 -5.200 -0.590 -5.461 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.028 -1.318 -6.800 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.054 -1.493 -4.560 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.248 -2.638 -6.698 1.00 0.00 C ATOM 0 H ILE A 50 -4.280 1.920 -4.841 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.422 0.767 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.233 -0.415 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.013 -1.521 -7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.514 -0.657 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.576 -2.468 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.150 -1.037 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.043 -1.616 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.169 -3.091 -7.686 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.249 -2.441 -6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.771 -3.319 -6.027 1.00 0.00 H new ATOM 703 N ILE A 51 -7.936 0.896 -4.459 1.00 0.00 N ATOM 704 CA ILE A 51 -8.822 0.973 -3.308 1.00 0.00 C ATOM 705 C ILE A 51 -9.467 -0.401 -3.180 1.00 0.00 C ATOM 706 O ILE A 51 -9.911 -0.978 -4.176 1.00 0.00 O ATOM 707 CB ILE A 51 -9.844 2.105 -3.516 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.101 3.452 -3.622 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.901 2.211 -2.404 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.000 4.537 -4.181 1.00 0.00 C ATOM 0 H ILE A 51 -8.395 0.522 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.297 1.214 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.378 1.864 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.740 3.748 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.226 3.337 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.582 3.033 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.463 1.279 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.408 2.397 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.445 5.473 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.340 4.251 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.862 4.668 -3.527 1.00 0.00 H new ATOM 722 N GLU A 52 -9.538 -0.914 -1.956 1.00 0.00 N ATOM 723 CA GLU A 52 -10.207 -2.170 -1.628 1.00 0.00 C ATOM 724 C GLU A 52 -11.326 -1.834 -0.650 1.00 0.00 C ATOM 725 O GLU A 52 -11.253 -0.804 0.017 1.00 0.00 O ATOM 726 CB GLU A 52 -9.193 -3.218 -1.100 1.00 0.00 C ATOM 727 CG GLU A 52 -8.080 -3.428 -2.136 1.00 0.00 C ATOM 728 CD GLU A 52 -7.698 -4.863 -2.531 1.00 0.00 C ATOM 729 OE1 GLU A 52 -8.588 -5.724 -2.736 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.506 -5.080 -2.844 1.00 0.00 O ATOM 0 H GLU A 52 -9.122 -0.457 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.646 -2.640 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.765 -2.881 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.701 -4.162 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.372 -2.902 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.182 -2.939 -1.759 1.00 0.00 H new ATOM 737 N ALA A 53 -12.355 -2.673 -0.564 1.00 0.00 N ATOM 738 CA ALA A 53 -13.479 -2.528 0.354 1.00 0.00 C ATOM 739 C ALA A 53 -13.790 -3.897 0.945 1.00 0.00 C ATOM 740 O ALA A 53 -13.491 -4.928 0.330 1.00 0.00 O ATOM 741 CB ALA A 53 -14.705 -2.005 -0.399 1.00 0.00 C ATOM 0 H ALA A 53 -12.431 -3.502 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.227 -1.821 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.540 -1.900 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.475 -1.035 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.975 -2.707 -1.188 1.00 0.00 H new ATOM 747 N PHE A 54 -14.445 -3.909 2.099 1.00 0.00 N ATOM 748 CA PHE A 54 -14.820 -5.095 2.856 1.00 0.00 C ATOM 749 C PHE A 54 -16.167 -4.869 3.538 1.00 0.00 C ATOM 750 O PHE A 54 -16.624 -3.733 3.651 1.00 0.00 O ATOM 751 CB PHE A 54 -13.706 -5.401 3.848 1.00 0.00 C ATOM 752 CG PHE A 54 -14.004 -6.519 4.808 1.00 0.00 C ATOM 753 CD1 PHE A 54 -14.702 -6.224 5.988 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.680 -7.846 4.488 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.090 -7.247 6.853 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.084 -8.879 5.347 1.00 0.00 C ATOM 757 CZ PHE A 54 -14.778 -8.580 6.532 1.00 0.00 C ATOM 0 H PHE A 54 -14.744 -3.047 2.555 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.941 -5.958 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.802 -5.650 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.490 -4.498 4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.941 -5.198 6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.125 -8.070 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.626 -7.017 7.762 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.861 -9.906 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.073 -9.377 7.199 1.00 0.00 H new ATOM 767 N SER A 55 -16.804 -5.957 3.972 1.00 0.00 N ATOM 768 CA SER A 55 -18.213 -5.982 4.288 1.00 0.00 C ATOM 769 C SER A 55 -18.674 -7.063 5.249 1.00 0.00 C ATOM 770 O SER A 55 -19.584 -6.849 6.047 1.00 0.00 O ATOM 771 CB SER A 55 -18.886 -6.245 2.950 1.00 0.00 C ATOM 772 OG SER A 55 -18.235 -7.273 2.208 1.00 0.00 O ATOM 0 H SER A 55 -16.339 -6.854 4.113 1.00 0.00 H new ATOM 0 HA SER A 55 -18.460 -5.047 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.926 -6.525 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 -18.894 -5.326 2.363 1.00 0.00 H new ATOM 0 HG SER A 55 -18.066 -6.960 1.295 1.00 0.00 H new ATOM 778 N GLN A 56 -18.105 -8.255 5.120 1.00 0.00 N ATOM 779 CA GLN A 56 -18.459 -9.481 5.797 1.00 0.00 C ATOM 780 C GLN A 56 -19.859 -10.056 5.497 1.00 0.00 C ATOM 781 O GLN A 56 -20.016 -11.272 5.629 1.00 0.00 O ATOM 782 CB GLN A 56 -18.188 -9.277 7.284 1.00 0.00 C ATOM 783 CG GLN A 56 -18.071 -10.610 8.034 1.00 0.00 C ATOM 784 CD GLN A 56 -16.785 -10.803 8.829 1.00 0.00 C ATOM 785 OE1 GLN A 56 -16.600 -10.221 9.887 1.00 0.00 O ATOM 786 NE2 GLN A 56 -15.891 -11.653 8.358 1.00 0.00 N ATOM 0 H GLN A 56 -17.319 -8.392 4.484 1.00 0.00 H new ATOM 0 HA GLN A 56 -17.829 -10.273 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -17.267 -8.708 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.991 -8.684 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -18.916 -10.699 8.716 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -18.157 -11.422 7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.059 -12.132 7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.032 -11.831 8.879 1.00 0.00 H new ATOM 795 N SER A 57 -20.844 -9.272 5.036 1.00 0.00 N ATOM 796 CA SER A 57 -22.156 -9.798 4.654 1.00 0.00 C ATOM 797 C SER A 57 -22.365 -9.781 3.132 1.00 0.00 C ATOM 798 O SER A 57 -23.142 -10.599 2.637 1.00 0.00 O ATOM 799 CB SER A 57 -23.280 -9.086 5.431 1.00 0.00 C ATOM 800 OG SER A 57 -24.356 -9.974 5.706 1.00 0.00 O ATOM 0 H SER A 57 -20.752 -8.263 4.919 1.00 0.00 H new ATOM 0 HA SER A 57 -22.195 -10.849 4.939 1.00 0.00 H new ATOM 0 HB2 SER A 57 -22.885 -8.689 6.366 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.644 -8.237 4.853 1.00 0.00 H new ATOM 0 HG SER A 57 -25.055 -9.498 6.201 1.00 0.00 H new ATOM 806 N VAL A 58 -21.681 -8.919 2.367 1.00 0.00 N ATOM 807 CA VAL A 58 -21.769 -8.861 0.900 1.00 0.00 C ATOM 808 C VAL A 58 -21.111 -10.104 0.302 1.00 0.00 C ATOM 809 O VAL A 58 -21.812 -11.032 -0.107 1.00 0.00 O ATOM 810 CB VAL A 58 -21.132 -7.561 0.372 1.00 0.00 C ATOM 811 CG1 VAL A 58 -21.004 -7.466 -1.158 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.912 -6.372 0.930 1.00 0.00 C ATOM 0 H VAL A 58 -21.039 -8.229 2.757 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.815 -8.850 0.595 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.100 -7.557 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.544 -6.515 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.383 -8.285 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.993 -7.531 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.472 -5.444 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.951 -6.434 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -21.871 -6.389 2.019 1.00 0.00 H new ATOM 822 N SER A 59 -19.779 -10.133 0.268 1.00 0.00 N ATOM 823 CA SER A 59 -18.992 -11.174 -0.381 1.00 0.00 C ATOM 824 C SER A 59 -17.826 -11.625 0.497 1.00 0.00 C ATOM 825 O SER A 59 -16.837 -12.136 -0.021 1.00 0.00 O ATOM 826 CB SER A 59 -18.543 -10.687 -1.765 1.00 0.00 C ATOM 827 OG SER A 59 -19.652 -10.363 -2.583 1.00 0.00 O ATOM 0 H SER A 59 -19.204 -9.412 0.704 1.00 0.00 H new ATOM 0 HA SER A 59 -19.612 -12.059 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.902 -9.812 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.946 -11.460 -2.248 1.00 0.00 H new ATOM 0 HG SER A 59 -19.335 -10.054 -3.457 1.00 0.00 H new ATOM 833 N ASN A 60 -17.955 -11.406 1.813 1.00 0.00 N ATOM 834 CA ASN A 60 -17.055 -11.771 2.907 1.00 0.00 C ATOM 835 C ASN A 60 -15.611 -11.972 2.445 1.00 0.00 C ATOM 836 O ASN A 60 -15.055 -13.071 2.504 1.00 0.00 O ATOM 837 CB ASN A 60 -17.624 -12.975 3.667 1.00 0.00 C ATOM 838 CG ASN A 60 -16.747 -13.356 4.851 1.00 0.00 C ATOM 839 OD1 ASN A 60 -16.363 -12.501 5.646 1.00 0.00 O ATOM 840 ND2 ASN A 60 -16.396 -14.618 4.988 1.00 0.00 N ATOM 0 H ASN A 60 -18.777 -10.919 2.170 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.002 -10.934 3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.629 -12.742 4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.712 -13.825 2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.796 -14.899 5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -16.724 -15.314 4.319 1.00 0.00 H new ATOM 847 N SER A 61 -15.040 -10.906 1.888 1.00 0.00 N ATOM 848 CA SER A 61 -13.680 -10.817 1.372 1.00 0.00 C ATOM 849 C SER A 61 -13.327 -9.347 1.155 1.00 0.00 C ATOM 850 O SER A 61 -14.230 -8.524 0.968 1.00 0.00 O ATOM 851 CB SER A 61 -13.628 -11.531 0.017 1.00 0.00 C ATOM 852 OG SER A 61 -13.690 -12.931 0.197 1.00 0.00 O ATOM 0 H SER A 61 -15.548 -10.028 1.779 1.00 0.00 H new ATOM 0 HA SER A 61 -12.982 -11.272 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.458 -11.201 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.710 -11.265 -0.507 1.00 0.00 H new ATOM 0 HG SER A 61 -13.905 -13.131 1.132 1.00 0.00 H new ATOM 858 N TRP A 62 -12.034 -9.023 1.112 1.00 0.00 N ATOM 859 CA TRP A 62 -11.564 -7.763 0.542 1.00 0.00 C ATOM 860 C TRP A 62 -11.713 -7.840 -0.974 1.00 0.00 C ATOM 861 O TRP A 62 -11.186 -8.775 -1.585 1.00 0.00 O ATOM 862 CB TRP A 62 -10.113 -7.481 0.956 1.00 0.00 C ATOM 863 CG TRP A 62 -10.026 -6.908 2.333 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.870 -7.608 3.477 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.299 -5.536 2.739 1.00 0.00 C ATOM 866 NE1 TRP A 62 -10.005 -6.765 4.561 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.361 -5.496 4.165 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.624 -4.354 2.036 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.796 -4.358 4.861 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -11.087 -3.221 2.725 1.00 0.00 C ATOM 871 CH2 TRP A 62 -11.200 -3.240 4.122 1.00 0.00 C ATOM 0 H TRP A 62 -11.290 -9.622 1.469 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.161 -6.934 0.922 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.537 -8.405 0.911 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.661 -6.788 0.246 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.670 -8.668 3.535 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.860 -7.046 5.531 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.516 -4.322 0.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.819 -4.345 5.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.357 -2.331 2.176 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.604 -2.380 4.635 1.00 0.00 H new ATOM 882 N GLN A 63 -12.436 -6.892 -1.574 1.00 0.00 N ATOM 883 CA GLN A 63 -12.591 -6.778 -3.022 1.00 0.00 C ATOM 884 C GLN A 63 -11.898 -5.498 -3.453 1.00 0.00 C ATOM 885 O GLN A 63 -12.024 -4.472 -2.784 1.00 0.00 O ATOM 886 CB GLN A 63 -14.071 -6.753 -3.460 1.00 0.00 C ATOM 887 CG GLN A 63 -14.879 -7.927 -2.883 1.00 0.00 C ATOM 888 CD GLN A 63 -15.716 -8.718 -3.874 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.247 -8.187 -4.845 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.888 -10.004 -3.616 1.00 0.00 N ATOM 0 H GLN A 63 -12.938 -6.171 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.147 -7.653 -3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.524 -5.814 -3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.124 -6.780 -4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.186 -8.613 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.541 -7.539 -2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.438 -10.426 -2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.471 -10.574 -4.229 1.00 0.00 H new ATOM 899 N THR A 64 -11.198 -5.565 -4.575 1.00 0.00 N ATOM 900 CA THR A 64 -10.470 -4.433 -5.139 1.00 0.00 C ATOM 901 C THR A 64 -11.476 -3.607 -5.944 1.00 0.00 C ATOM 902 O THR A 64 -11.765 -3.925 -7.099 1.00 0.00 O ATOM 903 CB THR A 64 -9.288 -4.941 -5.986 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.698 -6.080 -5.378 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.197 -3.891 -6.194 1.00 0.00 C ATOM 0 H THR A 64 -11.117 -6.418 -5.129 1.00 0.00 H new ATOM 0 HA THR A 64 -10.034 -3.799 -4.367 1.00 0.00 H new ATOM 0 HB THR A 64 -9.707 -5.189 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.856 -6.053 -4.411 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.395 -4.315 -6.798 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.618 -3.025 -6.705 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.799 -3.583 -5.227 1.00 0.00 H new ATOM 913 N VAL A 65 -12.055 -2.584 -5.321 1.00 0.00 N ATOM 914 CA VAL A 65 -13.159 -1.813 -5.879 1.00 0.00 C ATOM 915 C VAL A 65 -12.680 -0.729 -6.855 1.00 0.00 C ATOM 916 O VAL A 65 -13.470 -0.284 -7.694 1.00 0.00 O ATOM 917 CB VAL A 65 -14.029 -1.246 -4.739 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.761 -2.379 -3.997 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.240 -0.397 -3.728 1.00 0.00 C ATOM 0 H VAL A 65 -11.764 -2.263 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.779 -2.482 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.750 -0.585 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.369 -1.957 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.403 -2.916 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.030 -3.068 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.915 -0.031 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.461 -1.007 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.784 0.449 -4.241 1.00 0.00 H new ATOM 929 N ALA A 66 -11.402 -0.334 -6.806 1.00 0.00 N ATOM 930 CA ALA A 66 -10.768 0.511 -7.810 1.00 0.00 C ATOM 931 C ALA A 66 -9.337 0.036 -8.006 1.00 0.00 C ATOM 932 O ALA A 66 -8.676 -0.316 -7.027 1.00 0.00 O ATOM 933 CB ALA A 66 -10.764 1.973 -7.360 1.00 0.00 C ATOM 0 H ALA A 66 -10.772 -0.601 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.325 0.441 -8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.286 2.587 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.790 2.311 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.213 2.064 -6.424 1.00 0.00 H new ATOM 939 N ASN A 67 -8.840 0.082 -9.240 1.00 0.00 N ATOM 940 CA ASN A 67 -7.459 -0.249 -9.559 1.00 0.00 C ATOM 941 C ASN A 67 -6.904 0.773 -10.546 1.00 0.00 C ATOM 942 O ASN A 67 -7.659 1.431 -11.270 1.00 0.00 O ATOM 943 CB ASN A 67 -7.372 -1.690 -10.101 1.00 0.00 C ATOM 944 CG ASN A 67 -5.934 -2.141 -10.348 1.00 0.00 C ATOM 945 OD1 ASN A 67 -5.002 -1.645 -9.732 1.00 0.00 O ATOM 946 ND2 ASN A 67 -5.710 -3.064 -11.259 1.00 0.00 N ATOM 0 H ASN A 67 -9.393 0.353 -10.053 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.848 -0.206 -8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.845 -2.370 -9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.935 -1.758 -11.032 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.756 -3.368 -11.453 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.490 -3.475 -11.771 1.00 0.00 H new ATOM 953 N HIS A 68 -5.578 0.896 -10.571 1.00 0.00 N ATOM 954 CA HIS A 68 -4.823 1.778 -11.465 1.00 0.00 C ATOM 955 C HIS A 68 -5.331 3.234 -11.402 1.00 0.00 C ATOM 956 O HIS A 68 -5.306 3.955 -12.404 1.00 0.00 O ATOM 957 CB HIS A 68 -4.772 1.203 -12.900 1.00 0.00 C ATOM 958 CG HIS A 68 -3.635 0.249 -13.181 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.859 0.255 -14.321 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.142 -0.732 -12.364 1.00 0.00 C ATOM 961 CE1 HIS A 68 -1.933 -0.705 -14.200 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.041 -1.304 -13.007 1.00 0.00 N ATOM 0 H HIS A 68 -4.974 0.363 -9.945 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.792 1.816 -11.113 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.712 0.688 -13.100 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.708 2.034 -13.603 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.533 -1.013 -11.397 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.204 -0.959 -14.955 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.435 -2.037 -12.638 1.00 0.00 H new ATOM 970 N VAL A 69 -5.807 3.684 -10.237 1.00 0.00 N ATOM 971 CA VAL A 69 -6.253 5.060 -10.085 1.00 0.00 C ATOM 972 C VAL A 69 -5.065 5.990 -10.022 1.00 0.00 C ATOM 973 O VAL A 69 -3.975 5.630 -9.604 1.00 0.00 O ATOM 974 CB VAL A 69 -7.141 5.291 -8.862 1.00 0.00 C ATOM 975 CG1 VAL A 69 -8.555 4.808 -9.108 1.00 0.00 C ATOM 976 CG2 VAL A 69 -6.747 4.690 -7.560 1.00 0.00 C ATOM 0 H VAL A 69 -5.891 3.115 -9.395 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.863 5.273 -10.963 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.032 6.370 -8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.160 4.987 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.982 5.348 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.542 3.741 -9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.484 4.951 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.697 3.606 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.770 5.072 -7.264 1.00 0.00 H new ATOM 986 N LYS A 70 -5.288 7.227 -10.407 1.00 0.00 N ATOM 987 CA LYS A 70 -4.261 8.242 -10.509 1.00 0.00 C ATOM 988 C LYS A 70 -4.825 9.496 -9.873 1.00 0.00 C ATOM 989 O LYS A 70 -4.964 10.544 -10.508 1.00 0.00 O ATOM 990 CB LYS A 70 -3.890 8.371 -11.981 1.00 0.00 C ATOM 991 CG LYS A 70 -3.275 7.058 -12.510 1.00 0.00 C ATOM 992 CD LYS A 70 -3.241 7.032 -14.028 1.00 0.00 C ATOM 993 CE LYS A 70 -3.953 5.801 -14.603 1.00 0.00 C ATOM 994 NZ LYS A 70 -3.987 5.837 -16.078 1.00 0.00 N ATOM 0 H LYS A 70 -6.215 7.565 -10.665 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.335 8.009 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.777 8.623 -12.563 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.181 9.188 -12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.263 6.946 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.854 6.210 -12.143 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.711 7.936 -14.416 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.205 7.041 -14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.443 4.896 -14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.971 5.754 -14.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.475 4.991 -16.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.495 6.688 -16.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.015 5.857 -16.447 1.00 0.00 H new ATOM 1008 N THR A 71 -5.273 9.331 -8.632 1.00 0.00 N ATOM 1009 CA THR A 71 -5.822 10.429 -7.857 1.00 0.00 C ATOM 1010 C THR A 71 -5.529 10.206 -6.374 1.00 0.00 C ATOM 1011 O THR A 71 -4.950 9.180 -5.998 1.00 0.00 O ATOM 1012 CB THR A 71 -7.307 10.605 -8.233 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.935 11.586 -7.440 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.109 9.297 -8.261 1.00 0.00 C ATOM 0 H THR A 71 -5.264 8.437 -8.141 1.00 0.00 H new ATOM 0 HA THR A 71 -5.347 11.382 -8.090 1.00 0.00 H new ATOM 0 HB THR A 71 -7.300 10.959 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.888 11.376 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.143 9.510 -8.534 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.673 8.618 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.082 8.833 -7.275 1.00 0.00 H new ATOM 1022 N THR A 72 -5.912 11.177 -5.548 1.00 0.00 N ATOM 1023 CA THR A 72 -5.935 11.089 -4.092 1.00 0.00 C ATOM 1024 C THR A 72 -7.360 11.240 -3.536 1.00 0.00 C ATOM 1025 O THR A 72 -7.561 11.102 -2.325 1.00 0.00 O ATOM 1026 CB THR A 72 -4.948 12.094 -3.478 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.259 13.432 -3.806 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.507 11.810 -3.898 1.00 0.00 C ATOM 0 H THR A 72 -6.228 12.084 -5.891 1.00 0.00 H new ATOM 0 HA THR A 72 -5.605 10.092 -3.801 1.00 0.00 H new ATOM 0 HB THR A 72 -5.044 11.966 -2.400 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.604 14.031 -3.391 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.843 12.544 -3.441 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.223 10.810 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.425 11.873 -4.983 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.347 11.487 -4.411 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.768 11.390 -4.117 1.00 0.00 C ATOM 1038 C LEU A 73 -10.432 10.539 -5.177 1.00 0.00 C ATOM 1039 O LEU A 73 -10.128 10.668 -6.363 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.461 12.759 -4.019 1.00 0.00 C ATOM 1041 CG LEU A 73 -10.180 13.402 -2.655 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -9.004 14.381 -2.697 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.404 14.067 -2.053 1.00 0.00 C ATOM 0 H LEU A 73 -8.161 11.769 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.870 10.928 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.106 13.412 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.536 12.641 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.902 12.575 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.849 14.807 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.103 13.854 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.221 15.181 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.144 14.504 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.759 14.851 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.190 13.325 -1.914 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.266 9.605 -4.740 1.00 0.00 N ATOM 1056 CA TYR A 74 -11.952 8.673 -5.626 1.00 0.00 C ATOM 1057 C TYR A 74 -13.322 8.353 -5.055 1.00 0.00 C ATOM 1058 O TYR A 74 -13.463 8.243 -3.838 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.076 7.423 -5.807 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.650 6.347 -6.708 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -12.634 5.465 -6.229 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -11.188 6.215 -8.028 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -13.189 4.497 -7.081 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -11.779 5.275 -8.897 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.796 4.415 -8.430 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.337 3.476 -9.252 1.00 0.00 O ATOM 0 H TYR A 74 -11.487 9.471 -3.753 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.109 9.111 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.111 7.732 -6.209 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.888 6.988 -4.826 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.964 5.532 -5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.377 6.836 -8.379 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.926 3.807 -6.697 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.452 5.213 -9.924 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.951 3.565 -10.149 1.00 0.00 H new ATOM 1076 N THR A 75 -14.290 8.139 -5.941 1.00 0.00 N ATOM 1077 CA THR A 75 -15.675 7.835 -5.632 1.00 0.00 C ATOM 1078 C THR A 75 -15.947 6.361 -5.965 1.00 0.00 C ATOM 1079 O THR A 75 -16.152 6.012 -7.127 1.00 0.00 O ATOM 1080 CB THR A 75 -16.542 8.825 -6.419 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.210 10.153 -6.064 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.042 8.613 -6.202 1.00 0.00 C ATOM 0 H THR A 75 -14.116 8.176 -6.945 1.00 0.00 H new ATOM 0 HA THR A 75 -15.912 7.953 -4.575 1.00 0.00 H new ATOM 0 HB THR A 75 -16.333 8.645 -7.473 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.768 10.777 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.601 9.344 -6.786 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.317 7.608 -6.521 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.278 8.736 -5.145 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.904 5.473 -4.976 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.266 4.066 -5.135 1.00 0.00 C ATOM 1092 C VAL A 76 -17.741 3.971 -5.468 1.00 0.00 C ATOM 1093 O VAL A 76 -18.535 4.615 -4.786 1.00 0.00 O ATOM 1094 CB VAL A 76 -15.974 3.306 -3.827 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.311 1.814 -3.986 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.495 3.423 -3.431 1.00 0.00 C ATOM 0 H VAL A 76 -15.613 5.713 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.681 3.622 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.594 3.754 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.099 1.292 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.367 1.704 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.706 1.388 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.322 2.876 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.872 3.004 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.239 4.473 -3.286 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.119 3.148 -6.456 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.512 2.796 -6.717 1.00 0.00 C ATOM 1108 C ARG A 77 -19.714 1.294 -6.798 1.00 0.00 C ATOM 1109 O ARG A 77 -18.760 0.523 -6.897 1.00 0.00 O ATOM 1110 CB ARG A 77 -20.000 3.440 -8.015 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.526 4.881 -8.120 1.00 0.00 C ATOM 1112 CD ARG A 77 -20.271 5.627 -9.209 1.00 0.00 C ATOM 1113 NE ARG A 77 -20.397 7.057 -8.879 1.00 0.00 N ATOM 1114 CZ ARG A 77 -20.284 8.086 -9.723 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -20.242 7.876 -11.034 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -20.210 9.315 -9.237 1.00 0.00 N ATOM 0 H ARG A 77 -17.459 2.708 -7.097 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.094 3.176 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -19.633 2.870 -8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -21.089 3.408 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.673 5.385 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.456 4.900 -8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.745 5.514 -10.157 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -21.262 5.192 -9.340 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.591 7.285 -7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.296 6.926 -11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.156 8.665 -11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.239 9.467 -8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.123 10.110 -9.871 1.00 0.00 H new ATOM 1130 N GLY A 78 -20.986 0.914 -6.863 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.445 -0.476 -6.947 1.00 0.00 C ATOM 1132 C GLY A 78 -21.739 -1.093 -5.576 1.00 0.00 C ATOM 1133 O GLY A 78 -21.818 -2.321 -5.451 1.00 0.00 O ATOM 0 H GLY A 78 -21.755 1.585 -6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.346 -0.519 -7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.687 -1.073 -7.453 1.00 0.00 H new ATOM 1137 N LEU A 79 -21.874 -0.259 -4.544 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.063 -0.675 -3.157 1.00 0.00 C ATOM 1139 C LEU A 79 -23.546 -0.975 -2.910 1.00 0.00 C ATOM 1140 O LEU A 79 -24.345 -1.109 -3.842 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.520 0.424 -2.221 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.000 0.627 -2.358 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.632 2.025 -1.880 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.201 -0.388 -1.540 1.00 0.00 C ATOM 0 H LEU A 79 -21.854 0.755 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.508 -1.590 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.028 1.363 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.756 0.165 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.750 0.490 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.556 2.171 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.154 2.766 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.922 2.141 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.135 -0.202 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.460 -0.290 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.438 -1.396 -1.880 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.933 -1.105 -1.642 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.315 -1.325 -1.218 1.00 0.00 C ATOM 1158 C ARG A 80 -25.743 -0.207 -0.287 1.00 0.00 C ATOM 1159 O ARG A 80 -24.932 0.184 0.552 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.468 -2.636 -0.447 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.287 -3.837 -1.358 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.137 -5.107 -0.519 1.00 0.00 C ATOM 1163 NE ARG A 80 -25.904 -6.244 -1.031 1.00 0.00 N ATOM 1164 CZ ARG A 80 -25.491 -7.174 -1.892 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -24.374 -6.995 -2.588 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -26.209 -8.279 -2.026 1.00 0.00 N ATOM 0 H ARG A 80 -23.278 -1.059 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.927 -1.358 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.735 -2.674 0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.453 -2.674 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -26.143 -3.931 -2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.407 -3.699 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.083 -5.381 -0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -25.454 -4.897 0.503 1.00 0.00 H new ATOM 0 HE ARG A 80 -26.861 -6.335 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -23.828 -6.143 -2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -24.063 -7.710 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -27.059 -8.405 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -25.912 -9.004 -2.679 1.00 0.00 H new ATOM 1180 N PRO A 81 -27.005 0.233 -0.355 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.585 1.152 0.606 1.00 0.00 C ATOM 1182 C PRO A 81 -27.745 0.508 1.983 1.00 0.00 C ATOM 1183 O PRO A 81 -27.810 -0.721 2.105 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.907 1.610 -0.005 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.187 0.706 -1.206 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.951 -0.155 -1.374 1.00 0.00 C ATOM 0 HA PRO A 81 -26.937 2.009 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.713 1.540 0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.847 2.653 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -30.071 0.092 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.377 1.296 -2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.204 -1.211 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.522 -0.019 -2.367 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.812 1.351 3.019 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.885 1.023 4.449 1.00 0.00 C ATOM 1196 C ASN A 82 -26.773 0.117 4.995 1.00 0.00 C ATOM 1197 O ASN A 82 -26.808 -0.223 6.177 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.282 0.466 4.790 1.00 0.00 C ATOM 1199 CG ASN A 82 -30.041 1.451 5.646 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -29.709 1.646 6.813 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -31.038 2.111 5.094 1.00 0.00 N ATOM 0 H ASN A 82 -27.817 2.360 2.869 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.714 1.968 4.964 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.836 0.268 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.184 -0.484 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -31.554 2.803 5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -31.294 1.930 4.123 1.00 0.00 H new ATOM 1208 N THR A 83 -25.784 -0.252 4.191 1.00 0.00 N ATOM 1209 CA THR A 83 -24.810 -1.302 4.448 1.00 0.00 C ATOM 1210 C THR A 83 -23.499 -0.656 4.905 1.00 0.00 C ATOM 1211 O THR A 83 -23.039 0.317 4.309 1.00 0.00 O ATOM 1212 CB THR A 83 -24.735 -2.158 3.152 1.00 0.00 C ATOM 1213 OG1 THR A 83 -26.009 -2.690 2.837 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.757 -3.308 3.265 1.00 0.00 C ATOM 0 H THR A 83 -25.633 0.201 3.290 1.00 0.00 H new ATOM 0 HA THR A 83 -25.078 -1.978 5.260 1.00 0.00 H new ATOM 0 HB THR A 83 -24.389 -1.487 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.576 -1.983 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.747 -3.870 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.759 -2.918 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 83 -24.060 -3.965 4.080 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.936 -1.152 6.012 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.598 -0.787 6.465 1.00 0.00 C ATOM 1224 C ILE A 84 -20.585 -1.358 5.487 1.00 0.00 C ATOM 1225 O ILE A 84 -20.767 -2.466 4.990 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.340 -1.338 7.887 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -22.126 -0.582 8.974 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.841 -1.345 8.289 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -22.026 0.937 8.928 1.00 0.00 C ATOM 0 H ILE A 84 -23.404 -1.823 6.621 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.506 0.298 6.503 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.693 -2.368 7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.177 -0.861 8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.778 -0.921 9.950 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.737 -1.744 9.298 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.280 -1.968 7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.452 -0.327 8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.617 1.365 9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.984 1.237 9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.405 1.298 7.972 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.478 -0.656 5.294 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.298 -1.147 4.601 1.00 0.00 C ATOM 1243 C TYR A 85 -17.060 -0.616 5.300 1.00 0.00 C ATOM 1244 O TYR A 85 -17.110 0.358 6.057 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.286 -0.634 3.150 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.334 -1.239 2.247 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.603 -0.642 2.141 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -19.023 -2.386 1.495 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.578 -1.204 1.303 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.988 -2.953 0.649 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.271 -2.368 0.567 1.00 0.00 C ATOM 1252 OH TYR A 85 -22.229 -2.961 -0.184 1.00 0.00 O ATOM 0 H TYR A 85 -19.374 0.303 5.627 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.311 -2.237 4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.420 0.448 3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.303 -0.828 2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.827 0.251 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.041 -2.830 1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.554 -0.750 1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.752 -3.830 0.065 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.816 -3.623 -0.777 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.934 -1.229 4.960 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.598 -0.714 5.174 1.00 0.00 C ATOM 1264 C LEU A 86 -13.951 -0.524 3.834 1.00 0.00 C ATOM 1265 O LEU A 86 -14.385 -1.147 2.875 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.796 -1.651 6.088 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.387 -1.831 7.491 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.821 -3.086 8.139 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -14.062 -0.633 8.382 1.00 0.00 C ATOM 0 H LEU A 86 -15.933 -2.142 4.506 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.633 0.248 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.722 -2.628 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.781 -1.265 6.182 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.469 -1.916 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.247 -3.205 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.073 -3.955 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.737 -2.999 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.493 -0.787 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.981 -0.528 8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.480 0.272 7.941 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.939 0.339 3.796 1.00 0.00 N ATOM 1282 CA PHE A 87 -12.233 0.768 2.598 1.00 0.00 C ATOM 1283 C PHE A 87 -10.749 0.940 2.921 1.00 0.00 C ATOM 1284 O PHE A 87 -10.415 1.515 3.962 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.824 2.084 2.081 1.00 0.00 C ATOM 1286 CG PHE A 87 -14.272 1.995 1.662 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.592 1.393 0.433 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -15.293 2.529 2.471 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.927 1.340 0.001 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.627 2.479 2.032 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.945 1.895 0.796 1.00 0.00 C ATOM 0 H PHE A 87 -12.574 0.777 4.641 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.345 0.013 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.729 2.841 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.233 2.425 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.810 0.970 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.052 2.975 3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.172 0.873 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.411 2.892 2.649 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.970 1.872 0.456 1.00 0.00 H new ATOM 1301 N MET A 88 -9.843 0.388 2.113 1.00 0.00 N ATOM 1302 CA MET A 88 -8.407 0.609 2.230 1.00 0.00 C ATOM 1303 C MET A 88 -7.924 1.329 0.976 1.00 0.00 C ATOM 1304 O MET A 88 -8.659 1.434 -0.008 1.00 0.00 O ATOM 1305 CB MET A 88 -7.624 -0.704 2.298 1.00 0.00 C ATOM 1306 CG MET A 88 -8.044 -1.795 3.260 1.00 0.00 C ATOM 1307 SD MET A 88 -7.357 -3.374 2.692 1.00 0.00 S ATOM 1308 CE MET A 88 -7.156 -4.178 4.280 1.00 0.00 C ATOM 0 H MET A 88 -10.094 -0.236 1.346 1.00 0.00 H new ATOM 0 HA MET A 88 -8.240 1.181 3.143 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.631 -1.136 1.297 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.589 -0.451 2.529 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.688 -1.569 4.265 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.131 -1.854 3.312 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.247 -5.257 4.156 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.173 -3.941 4.686 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.926 -3.826 4.966 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.661 1.732 0.975 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.941 2.240 -0.174 1.00 0.00 C ATOM 1320 C VAL A 89 -4.637 1.426 -0.275 1.00 0.00 C ATOM 1321 O VAL A 89 -4.116 0.921 0.733 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.715 3.752 0.028 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -4.972 4.358 -1.156 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.022 4.542 0.178 1.00 0.00 C ATOM 0 H VAL A 89 -6.087 1.711 1.818 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.483 2.129 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.135 3.829 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.826 5.425 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.002 3.872 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.555 4.211 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.794 5.599 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.628 4.416 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.573 4.173 1.043 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.100 1.277 -1.489 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.805 0.654 -1.767 1.00 0.00 C ATOM 1336 C ARG A 90 -2.123 1.499 -2.836 1.00 0.00 C ATOM 1337 O ARG A 90 -2.724 1.701 -3.886 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.985 -0.822 -2.189 1.00 0.00 C ATOM 1339 CG ARG A 90 -3.641 -1.678 -1.097 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.941 -3.138 -1.460 1.00 0.00 C ATOM 1341 NE ARG A 90 -4.637 -3.798 -0.339 1.00 0.00 N ATOM 1342 CZ ARG A 90 -4.810 -5.115 -0.160 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -4.292 -5.976 -1.026 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -5.486 -5.561 0.899 1.00 0.00 N ATOM 0 H ARG A 90 -4.572 1.598 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.177 0.625 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.594 -0.865 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.012 -1.245 -2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.992 -1.671 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.576 -1.200 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.557 -3.180 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.013 -3.665 -1.685 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.029 -3.186 0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.762 -5.636 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.424 -6.978 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.872 -4.900 1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.618 -6.563 1.035 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.929 2.040 -2.589 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.188 2.806 -3.592 1.00 0.00 C ATOM 1360 C ALA A 91 0.617 1.808 -4.422 1.00 0.00 C ATOM 1361 O ALA A 91 1.436 1.072 -3.883 1.00 0.00 O ATOM 1362 CB ALA A 91 0.752 3.823 -2.927 1.00 0.00 C ATOM 0 H ALA A 91 -0.450 1.960 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.879 3.368 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.290 4.378 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.168 4.516 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.466 3.298 -2.292 1.00 0.00 H new ATOM 1368 N ILE A 92 0.356 1.746 -5.721 1.00 0.00 N ATOM 1369 CA ILE A 92 1.013 0.858 -6.667 1.00 0.00 C ATOM 1370 C ILE A 92 2.289 1.522 -7.166 1.00 0.00 C ATOM 1371 O ILE A 92 2.343 2.740 -7.347 1.00 0.00 O ATOM 1372 CB ILE A 92 0.014 0.503 -7.804 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.565 -0.870 -7.454 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.581 0.491 -9.227 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.523 -1.436 -8.499 1.00 0.00 C ATOM 0 H ILE A 92 -0.348 2.338 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 92 1.307 -0.081 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.731 1.298 -7.841 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.257 -1.572 -7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.088 -0.798 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.209 0.230 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.973 1.478 -9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.383 -0.244 -9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.885 -2.410 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.367 -0.758 -8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.001 -1.545 -9.450 1.00 0.00 H new ATOM 1387 N ASN A 93 3.292 0.704 -7.470 1.00 0.00 N ATOM 1388 CA ASN A 93 4.580 1.104 -8.041 1.00 0.00 C ATOM 1389 C ASN A 93 5.124 -0.059 -8.890 1.00 0.00 C ATOM 1390 O ASN A 93 4.523 -1.139 -8.868 1.00 0.00 O ATOM 1391 CB ASN A 93 5.526 1.569 -6.913 1.00 0.00 C ATOM 1392 CG ASN A 93 6.449 0.504 -6.340 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.103 -0.667 -6.290 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.626 0.889 -5.877 1.00 0.00 N ATOM 0 H ASN A 93 3.229 -0.303 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 93 4.478 1.959 -8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.138 2.387 -7.293 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.921 1.973 -6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.263 0.204 -5.469 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.897 1.871 -5.927 1.00 0.00 H new ATOM 1401 N PRO A 94 6.236 0.100 -9.629 1.00 0.00 N ATOM 1402 CA PRO A 94 6.798 -0.958 -10.461 1.00 0.00 C ATOM 1403 C PRO A 94 7.527 -2.056 -9.658 1.00 0.00 C ATOM 1404 O PRO A 94 8.385 -2.748 -10.203 1.00 0.00 O ATOM 1405 CB PRO A 94 7.665 -0.240 -11.502 1.00 0.00 C ATOM 1406 CG PRO A 94 8.067 1.075 -10.844 1.00 0.00 C ATOM 1407 CD PRO A 94 6.979 1.339 -9.807 1.00 0.00 C ATOM 0 HA PRO A 94 6.016 -1.536 -10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.541 -0.834 -11.763 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.111 -0.066 -12.424 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.049 1.000 -10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.122 1.882 -11.574 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.419 1.662 -8.863 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.317 2.139 -10.140 1.00 0.00 H new ATOM 1415 N GLN A 95 7.204 -2.242 -8.375 1.00 0.00 N ATOM 1416 CA GLN A 95 7.698 -3.316 -7.515 1.00 0.00 C ATOM 1417 C GLN A 95 6.604 -4.055 -6.762 1.00 0.00 C ATOM 1418 O GLN A 95 6.859 -5.156 -6.267 1.00 0.00 O ATOM 1419 CB GLN A 95 8.716 -2.737 -6.515 1.00 0.00 C ATOM 1420 CG GLN A 95 10.096 -3.010 -7.086 1.00 0.00 C ATOM 1421 CD GLN A 95 10.472 -4.486 -6.999 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.184 -5.160 -6.011 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.063 -5.062 -8.028 1.00 0.00 N ATOM 0 H GLN A 95 6.561 -1.618 -7.887 1.00 0.00 H new ATOM 0 HA GLN A 95 8.165 -4.051 -8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.559 -1.667 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.604 -3.203 -5.536 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.127 -2.689 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.835 -2.416 -6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.305 -4.511 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.278 -6.059 -8.000 1.00 0.00 H new ATOM 1432 N GLY A 96 5.426 -3.466 -6.668 1.00 0.00 N ATOM 1433 CA GLY A 96 4.302 -4.012 -5.920 1.00 0.00 C ATOM 1434 C GLY A 96 3.290 -2.946 -5.537 1.00 0.00 C ATOM 1435 O GLY A 96 2.992 -2.034 -6.311 1.00 0.00 O ATOM 0 H GLY A 96 5.217 -2.575 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.809 -4.779 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.672 -4.499 -5.018 1.00 0.00 H new ATOM 1439 N LEU A 97 2.720 -3.103 -4.342 1.00 0.00 N ATOM 1440 CA LEU A 97 1.771 -2.203 -3.722 1.00 0.00 C ATOM 1441 C LEU A 97 2.261 -1.913 -2.305 1.00 0.00 C ATOM 1442 O LEU A 97 2.835 -2.799 -1.669 1.00 0.00 O ATOM 1443 CB LEU A 97 0.370 -2.831 -3.772 1.00 0.00 C ATOM 1444 CG LEU A 97 0.147 -4.091 -2.898 1.00 0.00 C ATOM 1445 CD1 LEU A 97 -0.257 -3.773 -1.452 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.949 -4.964 -3.517 1.00 0.00 C ATOM 0 H LEU A 97 2.926 -3.911 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 97 1.698 -1.252 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.354 -2.074 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.149 -3.090 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 97 1.106 -4.608 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.396 -4.703 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.526 -3.183 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.189 -3.208 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.102 -5.849 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.878 -4.396 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.648 -5.269 -4.519 1.00 0.00 H new ATOM 1458 N SER A 98 2.053 -0.693 -1.816 1.00 0.00 N ATOM 1459 CA SER A 98 2.530 -0.254 -0.514 1.00 0.00 C ATOM 1460 C SER A 98 1.708 -0.920 0.588 1.00 0.00 C ATOM 1461 O SER A 98 0.564 -1.321 0.348 1.00 0.00 O ATOM 1462 CB SER A 98 2.433 1.278 -0.435 1.00 0.00 C ATOM 1463 OG SER A 98 1.095 1.742 -0.541 1.00 0.00 O ATOM 0 H SER A 98 1.540 0.027 -2.324 1.00 0.00 H new ATOM 0 HA SER A 98 3.572 -0.544 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.859 1.618 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.032 1.719 -1.232 1.00 0.00 H new ATOM 0 HG SER A 98 0.695 1.794 0.352 1.00 0.00 H new ATOM 1469 N ASP A 99 2.264 -0.968 1.801 1.00 0.00 N ATOM 1470 CA ASP A 99 1.697 -1.696 2.933 1.00 0.00 C ATOM 1471 C ASP A 99 0.213 -1.358 3.095 1.00 0.00 C ATOM 1472 O ASP A 99 -0.143 -0.177 3.060 1.00 0.00 O ATOM 1473 CB ASP A 99 2.397 -1.341 4.242 1.00 0.00 C ATOM 1474 CG ASP A 99 1.991 -2.267 5.377 1.00 0.00 C ATOM 1475 OD1 ASP A 99 2.503 -3.403 5.430 1.00 0.00 O ATOM 1476 OD2 ASP A 99 1.156 -1.844 6.212 1.00 0.00 O ATOM 0 H ASP A 99 3.138 -0.492 2.026 1.00 0.00 H new ATOM 0 HA ASP A 99 1.834 -2.757 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.477 -1.393 4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.160 -0.312 4.512 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.673 -2.344 3.259 1.00 0.00 N ATOM 1482 CA PRO A 100 -2.111 -2.145 3.324 1.00 0.00 C ATOM 1483 C PRO A 100 -2.482 -1.064 4.342 1.00 0.00 C ATOM 1484 O PRO A 100 -2.241 -1.245 5.538 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.695 -3.518 3.679 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.496 -4.246 4.289 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.351 -3.737 3.447 1.00 0.00 C ATOM 0 HA PRO A 100 -2.517 -1.784 2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.521 -3.436 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.078 -4.035 2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.365 -4.003 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.600 -5.329 4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.607 -3.864 3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.284 -4.266 2.497 1.00 0.00 H new ATOM 1495 N SER A 101 -3.030 0.065 3.869 1.00 0.00 N ATOM 1496 CA SER A 101 -3.332 1.225 4.698 1.00 0.00 C ATOM 1497 C SER A 101 -4.182 0.872 5.933 1.00 0.00 C ATOM 1498 O SER A 101 -4.931 -0.113 5.902 1.00 0.00 O ATOM 1499 CB SER A 101 -4.040 2.293 3.843 1.00 0.00 C ATOM 1500 OG SER A 101 -5.380 1.929 3.549 1.00 0.00 O ATOM 0 H SER A 101 -3.276 0.193 2.887 1.00 0.00 H new ATOM 0 HA SER A 101 -2.387 1.615 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.030 3.247 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.490 2.437 2.913 1.00 0.00 H new ATOM 0 HG SER A 101 -5.926 2.738 3.455 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.176 1.720 6.975 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.173 1.704 8.044 1.00 0.00 C ATOM 1508 C PRO A 102 -6.596 1.751 7.472 1.00 0.00 C ATOM 1509 O PRO A 102 -6.851 2.443 6.478 1.00 0.00 O ATOM 1510 CB PRO A 102 -4.889 2.958 8.886 1.00 0.00 C ATOM 1511 CG PRO A 102 -4.124 3.849 7.924 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.290 2.856 7.147 1.00 0.00 C ATOM 0 HA PRO A 102 -5.108 0.791 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.809 3.431 9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.301 2.724 9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.793 4.413 7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.504 4.575 8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.972 3.264 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.387 2.580 7.691 1.00 0.00 H new ATOM 1520 N MET A 103 -7.528 1.048 8.122 1.00 0.00 N ATOM 1521 CA MET A 103 -8.923 1.008 7.725 1.00 0.00 C ATOM 1522 C MET A 103 -9.625 2.354 7.907 1.00 0.00 C ATOM 1523 O MET A 103 -9.410 3.047 8.908 1.00 0.00 O ATOM 1524 CB MET A 103 -9.640 -0.095 8.527 1.00 0.00 C ATOM 1525 CG MET A 103 -9.237 -1.495 8.047 1.00 0.00 C ATOM 1526 SD MET A 103 -8.624 -2.674 9.270 1.00 0.00 S ATOM 1527 CE MET A 103 -10.186 -3.229 9.995 1.00 0.00 C ATOM 0 H MET A 103 -7.324 0.486 8.948 1.00 0.00 H new ATOM 0 HA MET A 103 -8.966 0.784 6.659 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.401 0.010 9.585 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.719 0.027 8.430 1.00 0.00 H new ATOM 0 HG2 MET A 103 -10.103 -1.942 7.559 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.468 -1.377 7.284 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.982 -3.911 10.820 1.00 0.00 H new ATOM 0 HE2 MET A 103 -10.742 -2.367 10.365 1.00 0.00 H new ATOM 0 HE3 MET A 103 -10.777 -3.743 9.237 1.00 0.00 H new ATOM 1537 N SER A 104 -10.545 2.666 6.990 1.00 0.00 N ATOM 1538 CA SER A 104 -11.323 3.902 6.883 1.00 0.00 C ATOM 1539 C SER A 104 -12.301 4.172 8.005 1.00 0.00 C ATOM 1540 O SER A 104 -12.903 5.244 7.998 1.00 0.00 O ATOM 1541 CB SER A 104 -12.152 3.803 5.590 1.00 0.00 C ATOM 1542 OG SER A 104 -13.025 2.676 5.668 1.00 0.00 O ATOM 0 H SER A 104 -10.783 2.010 6.246 1.00 0.00 H new ATOM 0 HA SER A 104 -10.596 4.714 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.731 4.715 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.491 3.705 4.729 1.00 0.00 H new ATOM 0 HG SER A 104 -13.554 2.614 4.845 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.448 3.224 8.928 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.524 3.138 9.909 1.00 0.00 C ATOM 1550 C ASP A 105 -14.861 2.775 9.233 1.00 0.00 C ATOM 1551 O ASP A 105 -15.047 3.084 8.053 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.517 4.377 10.813 1.00 0.00 C ATOM 1553 CG ASP A 105 -14.885 4.904 11.242 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -15.383 4.527 12.320 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -15.387 5.845 10.584 1.00 0.00 O ATOM 0 H ASP A 105 -11.784 2.455 9.015 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.359 2.307 10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.943 4.144 11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.988 5.177 10.295 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.718 1.983 9.909 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.890 1.370 9.296 1.00 0.00 C ATOM 1562 C PRO A 106 -17.962 2.418 9.005 1.00 0.00 C ATOM 1563 O PRO A 106 -18.616 2.917 9.928 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.361 0.262 10.244 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.704 0.578 11.584 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.488 1.426 11.236 1.00 0.00 C ATOM 0 HA PRO A 106 -16.655 0.931 8.326 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.448 0.253 10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.062 -0.721 9.881 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.386 1.117 12.241 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.413 -0.334 12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.351 2.221 11.969 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.581 0.822 11.248 1.00 0.00 H new ATOM 1574 N VAL A 107 -18.131 2.751 7.727 1.00 0.00 N ATOM 1575 CA VAL A 107 -19.046 3.774 7.235 1.00 0.00 C ATOM 1576 C VAL A 107 -20.262 3.120 6.598 1.00 0.00 C ATOM 1577 O VAL A 107 -20.135 2.120 5.887 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.336 4.694 6.222 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.526 5.742 6.992 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.451 3.932 5.215 1.00 0.00 C ATOM 0 H VAL A 107 -17.612 2.295 6.976 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.375 4.384 8.077 1.00 0.00 H new ATOM 0 HB VAL A 107 -19.102 5.179 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.018 6.400 6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -18.195 6.330 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.787 5.242 7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.982 4.641 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.679 3.382 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -18.065 3.234 4.647 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.444 3.694 6.821 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.688 3.236 6.216 1.00 0.00 C ATOM 1592 C ARG A 108 -22.880 3.896 4.860 1.00 0.00 C ATOM 1593 O ARG A 108 -22.014 4.621 4.366 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.837 3.531 7.198 1.00 0.00 C ATOM 1595 CG ARG A 108 -25.061 2.610 7.037 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.719 2.495 8.407 1.00 0.00 C ATOM 1597 NE ARG A 108 -27.049 1.872 8.404 1.00 0.00 N ATOM 1598 CZ ARG A 108 -27.745 1.638 9.524 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -27.218 1.895 10.714 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.974 1.148 9.446 1.00 0.00 N ATOM 0 H ARG A 108 -21.563 4.500 7.435 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.667 2.162 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.461 3.441 8.217 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -24.155 4.565 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.759 3.021 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.759 1.629 6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.065 1.918 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -25.802 3.492 8.839 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.461 1.606 7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -26.274 2.275 10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -27.757 1.713 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -29.387 0.950 8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -29.507 0.969 10.297 1.00 0.00 H new ATOM 1614 N THR A 109 -24.032 3.645 4.267 1.00 0.00 N ATOM 1615 CA THR A 109 -24.498 4.216 3.026 1.00 0.00 C ATOM 1616 C THR A 109 -25.915 4.716 3.265 1.00 0.00 C ATOM 1617 O THR A 109 -26.601 4.269 4.197 1.00 0.00 O ATOM 1618 CB THR A 109 -24.439 3.125 1.949 1.00 0.00 C ATOM 1619 OG1 THR A 109 -25.079 1.955 2.404 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.005 2.712 1.650 1.00 0.00 C ATOM 0 H THR A 109 -24.707 2.995 4.668 1.00 0.00 H new ATOM 0 HA THR A 109 -23.886 5.052 2.688 1.00 0.00 H new ATOM 0 HB THR A 109 -24.919 3.542 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.772 1.188 1.876 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.002 1.938 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.444 3.577 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.541 2.325 2.557 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.350 5.649 2.424 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.686 6.216 2.500 1.00 0.00 C ATOM 1630 C GLN A 110 -28.721 5.165 2.123 1.00 0.00 C ATOM 1631 O GLN A 110 -28.395 4.050 1.713 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.768 7.460 1.607 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.903 8.597 2.181 1.00 0.00 C ATOM 1634 CD GLN A 110 -27.678 9.663 2.960 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -28.875 9.878 2.764 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -27.015 10.368 3.864 1.00 0.00 N ATOM 0 H GLN A 110 -25.781 6.032 1.669 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.901 6.528 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.433 7.214 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.804 7.789 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.148 8.164 2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -26.372 9.080 1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -26.024 10.188 4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -27.495 11.091 4.400 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.979 5.538 2.294 1.00 0.00 N ATOM 1646 CA ASP A 111 -31.119 4.746 1.856 1.00 0.00 C ATOM 1647 C ASP A 111 -31.354 4.953 0.350 1.00 0.00 C ATOM 1648 O ASP A 111 -30.872 5.917 -0.252 1.00 0.00 O ATOM 1649 CB ASP A 111 -32.328 5.101 2.734 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.627 4.410 2.302 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.587 3.223 1.896 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -34.677 5.089 2.314 1.00 0.00 O ATOM 0 H ASP A 111 -30.242 6.413 2.748 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.935 3.679 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -32.108 4.829 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.477 6.181 2.713 1.00 0.00 H new